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_J 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 0.000 174.637 174.600 0.061 0.000 1.055 3 S CA 0.000 58.242 58.200 0.069 0.000 1.107 3 S CB 0.000 63.251 63.200 0.084 0.000 0.593 4 P HA 0.146 nan 4.420 nan 0.000 0.215 4 P C 0.673 178.004 177.300 0.052 0.000 1.157 4 P CA 0.262 63.391 63.100 0.048 0.000 0.859 4 P CB -0.210 31.516 31.700 0.044 0.000 0.786 5 I N 1.658 122.263 120.570 0.059 0.000 2.906 5 I HA -0.121 4.050 4.170 0.000 0.000 0.302 5 I C 0.678 176.831 176.117 0.060 0.000 1.220 5 I CA -0.291 61.045 61.300 0.061 0.000 1.441 5 I CB 0.265 38.309 38.000 0.073 0.000 1.336 5 I HN 0.128 nan 8.210 nan 0.000 0.565 6 E N 5.562 125.793 120.200 0.052 0.000 2.175 6 E HA -0.003 4.347 4.350 0.000 0.000 0.247 6 E C -0.292 176.343 176.600 0.059 0.000 1.259 6 E CA -0.209 56.221 56.400 0.050 0.000 0.969 6 E CB -0.393 29.332 29.700 0.041 0.000 1.051 6 E HN 0.650 nan 8.360 nan 0.000 0.448 7 T N 0.335 114.929 114.554 0.066 0.000 2.856 7 T HA 0.273 4.624 4.350 0.000 0.000 0.292 7 T C 0.608 175.351 174.700 0.073 0.000 0.980 7 T CA -0.645 61.501 62.100 0.077 0.000 1.091 7 T CB 1.374 70.294 68.868 0.087 0.000 0.936 7 T HN 0.550 nan 8.240 nan 0.000 0.503 8 V N 1.925 121.889 119.914 0.084 0.000 2.485 8 V HA 0.341 4.461 4.120 0.000 0.000 0.287 8 V C -2.078 174.065 176.094 0.081 0.000 1.022 8 V CA -1.879 60.478 62.300 0.095 0.000 1.067 8 V CB -0.621 31.283 31.823 0.136 0.000 0.967 8 V HN 0.846 nan 8.190 nan 0.000 0.479 9 P HA 0.121 nan 4.420 nan 0.000 0.262 9 P C -0.282 177.011 177.300 -0.012 0.000 1.199 9 P CA 0.104 63.227 63.100 0.038 0.000 0.763 9 P CB 0.914 32.646 31.700 0.053 0.000 0.790 10 V N 5.455 125.266 119.914 -0.172 0.000 2.372 10 V HA 0.085 4.206 4.120 0.000 0.000 0.261 10 V C 1.083 177.034 176.094 -0.237 0.000 1.055 10 V CA -0.380 61.624 62.300 -0.494 0.000 0.930 10 V CB 0.083 31.275 31.823 -1.052 0.000 1.031 10 V HN 0.471 nan 8.190 nan 0.000 0.479 11 K N 4.517 124.851 120.400 -0.111 0.000 2.154 11 K HA 0.567 4.888 4.320 0.000 0.000 0.264 11 K C -0.660 175.930 176.600 -0.017 0.000 1.008 11 K CA -0.786 55.497 56.287 -0.006 0.000 0.937 11 K CB 1.759 34.289 32.500 0.050 0.000 1.002 11 K HN 0.359 nan 8.250 nan 0.000 0.469 12 L N 1.286 122.519 121.223 0.016 0.000 2.334 12 L HA 0.268 4.608 4.340 0.000 0.000 0.273 12 L C -0.344 176.527 176.870 0.001 0.000 1.013 12 L CA -0.556 54.283 54.840 -0.002 0.000 0.816 12 L CB 1.373 43.391 42.059 -0.069 0.000 1.278 12 L HN 0.377 nan 8.230 nan 0.000 0.431 13 K N 4.379 124.778 120.400 -0.002 0.000 2.440 13 K HA 0.017 4.338 4.320 0.000 0.000 0.275 13 K C -2.255 174.346 176.600 0.002 0.000 1.082 13 K CA -1.049 55.236 56.287 -0.002 0.000 1.135 13 K CB -0.316 32.184 32.500 -0.000 0.000 0.864 13 K HN 0.408 nan 8.250 nan 0.000 0.479 14 P HA -0.112 nan 4.420 nan 0.000 0.253 14 P C 0.584 177.895 177.300 0.018 0.000 1.159 14 P CA 1.013 64.121 63.100 0.013 0.000 0.779 14 P CB 0.140 31.846 31.700 0.010 0.000 0.745 15 G N 2.686 111.501 108.800 0.026 0.000 2.143 15 G HA2 -0.243 3.717 3.960 0.000 0.000 0.248 15 G HA3 -0.243 3.717 3.960 0.000 0.000 0.248 15 G C 0.156 175.077 174.900 0.036 0.000 0.991 15 G CA -0.551 44.569 45.100 0.034 0.000 0.689 15 G HN 0.403 nan 8.290 nan 0.000 0.522 16 M N 0.812 120.427 119.600 0.026 0.000 2.180 16 M HA 0.347 4.827 4.480 0.000 0.000 0.358 16 M C 0.021 176.346 176.300 0.040 0.000 1.233 16 M CA -0.543 54.770 55.300 0.022 0.000 1.114 16 M CB 1.020 33.617 32.600 -0.006 0.000 1.594 16 M HN 0.250 nan 8.290 nan 0.000 0.467 17 D N 1.920 122.366 120.400 0.077 0.000 2.256 17 D HA 0.466 5.106 4.640 0.000 0.000 0.250 17 D C 0.460 176.854 176.300 0.158 0.000 1.093 17 D CA 0.100 54.195 54.000 0.158 0.000 0.882 17 D CB 1.142 42.036 40.800 0.157 0.000 1.185 17 D HN 0.712 nan 8.370 nan 0.000 0.437 18 G N 2.900 111.865 108.800 0.275 0.000 2.716 18 G HA2 0.243 4.204 3.960 0.000 0.000 0.251 18 G HA3 0.243 4.204 3.960 0.000 0.000 0.251 18 G C -2.183 172.901 174.900 0.307 0.000 1.224 18 G CA -0.895 44.267 45.100 0.104 0.000 0.891 18 G HN 0.513 nan 8.290 nan 0.000 0.561 19 P HA 0.263 nan 4.420 nan 0.000 0.275 19 P C -1.089 176.393 177.300 0.303 0.000 1.227 19 P CA -0.072 63.175 63.100 0.244 0.000 0.781 19 P CB 1.083 32.900 31.700 0.196 0.000 0.906 20 K N 1.837 122.354 120.400 0.196 0.000 2.814 20 K HA 0.393 4.713 4.320 0.000 0.000 0.205 20 K C -1.138 175.526 176.600 0.106 0.000 1.093 20 K CA -0.490 55.875 56.287 0.131 0.000 1.035 20 K CB 1.406 33.957 32.500 0.085 0.000 1.220 20 K HN 0.176 nan 8.250 nan 0.000 0.576 21 V N 2.715 122.696 119.914 0.110 0.000 2.495 21 V HA 0.306 4.426 4.120 0.000 0.000 0.298 21 V C 0.003 176.152 176.094 0.093 0.000 1.031 21 V CA -1.110 61.257 62.300 0.111 0.000 0.871 21 V CB 1.676 33.577 31.823 0.130 0.000 0.988 21 V HN 0.424 nan 8.190 nan 0.000 0.432 22 K N 2.702 123.161 120.400 0.099 0.000 2.295 22 K HA 0.267 4.588 4.320 0.000 0.000 0.270 22 K C -0.117 176.526 176.600 0.072 0.000 1.011 22 K CA -0.363 55.970 56.287 0.077 0.000 0.953 22 K CB 0.970 33.520 32.500 0.084 0.000 0.956 22 K HN 0.710 nan 8.250 nan 0.000 0.477 23 Q N 2.793 122.589 119.800 -0.006 0.000 2.293 23 Q HA 0.132 4.472 4.340 0.000 0.000 0.251 23 Q C -1.007 174.955 176.000 -0.062 0.000 0.930 23 Q CA -0.291 55.421 55.803 -0.151 0.000 0.893 23 Q CB 0.662 29.308 28.738 -0.154 0.000 1.215 23 Q HN 0.533 nan 8.270 nan 0.000 0.425 24 W N 2.251 123.541 121.300 -0.016 0.000 2.516 24 W HA 0.571 5.231 4.660 0.000 0.000 0.343 24 W C -2.442 174.037 176.519 -0.066 0.000 1.094 24 W CA -2.647 54.670 57.345 -0.046 0.000 1.250 24 W CB -0.760 28.661 29.460 -0.066 0.000 1.308 24 W HN 0.513 nan 8.180 nan 0.000 0.588 25 P HA -0.009 nan 4.420 nan 0.000 0.266 25 P C -0.512 176.853 177.300 0.110 0.000 1.180 25 P CA 0.645 63.800 63.100 0.091 0.000 0.765 25 P CB 0.520 32.248 31.700 0.047 0.000 0.806 26 L N 1.343 122.579 121.223 0.021 0.000 2.408 26 L HA 0.389 4.729 4.340 0.000 0.000 0.268 26 L C 0.610 177.465 176.870 -0.024 0.000 0.986 26 L CA -0.937 53.906 54.840 0.005 0.000 0.820 26 L CB 2.129 44.154 42.059 -0.058 0.000 1.303 26 L HN 0.347 nan 8.230 nan 0.000 0.411 27 T N -2.628 111.912 114.554 -0.023 0.000 2.903 27 T HA -0.000 4.350 4.350 0.000 0.000 0.314 27 T C 0.998 175.662 174.700 -0.061 0.000 1.078 27 T CA -0.153 61.929 62.100 -0.030 0.000 1.114 27 T CB 1.396 70.259 68.868 -0.008 0.000 0.987 27 T HN 0.838 nan 8.240 nan 0.000 0.548 28 E N 1.510 121.681 120.200 -0.048 0.000 2.048 28 E HA -0.336 4.014 4.350 0.000 0.000 0.202 28 E C 2.016 178.552 176.600 -0.107 0.000 1.021 28 E CA 2.024 58.386 56.400 -0.064 0.000 0.825 28 E CB -0.270 29.408 29.700 -0.037 0.000 0.756 28 E HN 0.947 nan 8.360 nan 0.000 0.454 29 E N 1.011 121.157 120.200 -0.090 0.000 2.130 29 E HA -0.279 4.071 4.350 0.000 0.000 0.196 29 E C 1.942 178.294 176.600 -0.414 0.000 0.998 29 E CA 1.838 58.153 56.400 -0.142 0.000 0.806 29 E CB -0.462 29.248 29.700 0.016 0.000 0.738 29 E HN 0.421 nan 8.360 nan 0.000 0.459 30 K N 0.343 120.494 120.400 -0.415 0.000 2.404 30 K HA 0.148 4.468 4.320 0.000 0.000 0.194 30 K C 1.857 178.213 176.600 -0.407 0.000 1.023 30 K CA 0.260 56.152 56.287 -0.658 0.000 1.094 30 K CB 0.176 32.402 32.500 -0.457 0.000 0.841 30 K HN 0.190 nan 8.250 nan 0.000 0.523 31 I N 1.521 121.931 120.570 -0.265 0.000 2.339 31 I HA -0.113 4.057 4.170 0.000 0.000 0.245 31 I C 1.835 177.836 176.117 -0.193 0.000 1.096 31 I CA 0.846 62.036 61.300 -0.184 0.000 1.408 31 I CB 0.016 37.946 38.000 -0.118 0.000 1.092 31 I HN 0.174 nan 8.210 nan 0.000 0.423 32 K N 1.002 121.282 120.400 -0.200 0.000 2.283 32 K HA -0.079 4.242 4.320 0.000 0.000 0.202 32 K C 2.060 178.527 176.600 -0.222 0.000 1.048 32 K CA 1.193 57.379 56.287 -0.169 0.000 0.948 32 K CB -0.065 32.358 32.500 -0.129 0.000 0.742 32 K HN 0.286 nan 8.250 nan 0.000 0.458 33 A N 0.837 123.425 122.820 -0.387 0.000 1.930 33 A HA -0.079 4.242 4.320 0.000 0.000 0.215 33 A C 1.973 179.386 177.584 -0.286 0.000 1.176 33 A CA 0.812 52.569 52.037 -0.467 0.000 0.632 33 A CB -0.272 18.046 19.000 -1.136 0.000 0.819 33 A HN 0.138 nan 8.150 nan 0.000 0.445 34 L N -0.349 120.711 121.223 -0.272 0.000 2.093 34 L HA -0.067 4.273 4.340 0.000 0.000 0.208 34 L C 2.447 179.248 176.870 -0.115 0.000 1.085 34 L CA 1.305 56.041 54.840 -0.174 0.000 0.755 34 L CB -0.331 41.632 42.059 -0.161 0.000 0.904 34 L HN 0.180 nan 8.230 nan 0.000 0.435 35 V N -0.442 119.409 119.914 -0.104 0.000 2.270 35 V HA -0.296 3.824 4.120 0.000 0.000 0.245 35 V C 2.504 178.558 176.094 -0.066 0.000 1.043 35 V CA 1.958 64.223 62.300 -0.059 0.000 1.014 35 V CB -0.509 31.284 31.823 -0.050 0.000 0.645 35 V HN 0.589 nan 8.190 nan 0.000 0.447 36 E N 0.257 120.410 120.200 -0.078 0.000 2.023 36 E HA -0.248 4.103 4.350 0.000 0.000 0.196 36 E C 2.288 178.847 176.600 -0.069 0.000 1.003 36 E CA 2.014 58.377 56.400 -0.062 0.000 0.809 36 E CB -0.145 29.521 29.700 -0.056 0.000 0.755 36 E HN 0.408 nan 8.360 nan 0.000 0.449 37 I N 1.399 121.924 120.570 -0.076 0.000 2.185 37 I HA -0.325 3.845 4.170 0.000 0.000 0.246 37 I C 2.704 178.748 176.117 -0.122 0.000 1.088 37 I CA 0.992 62.247 61.300 -0.075 0.000 1.347 37 I CB -1.647 36.316 38.000 -0.062 0.000 1.041 37 I HN 0.387 nan 8.210 nan 0.000 0.415 38 C N 0.591 119.799 119.300 -0.154 0.000 2.467 38 C HA -0.087 4.373 4.460 0.000 0.000 0.279 38 C C 2.997 177.825 174.990 -0.270 0.000 1.347 38 C CA 1.381 60.238 59.018 -0.267 0.000 1.748 38 C CB -1.094 26.444 27.740 -0.337 0.000 1.977 38 C HN 0.659 nan 8.230 nan 0.000 0.501 39 T N -0.962 113.506 114.554 -0.144 0.000 2.995 39 T HA -0.084 4.266 4.350 0.000 0.000 0.269 39 T C 1.405 176.055 174.700 -0.082 0.000 1.091 39 T CA 1.272 63.323 62.100 -0.081 0.000 1.128 39 T CB -0.241 68.609 68.868 -0.029 0.000 0.891 39 T HN 0.507 nan 8.240 nan 0.000 0.492 40 E N 1.011 121.154 120.200 -0.094 0.000 2.122 40 E HA 0.170 4.520 4.350 0.000 0.000 0.190 40 E C 2.141 178.674 176.600 -0.112 0.000 0.977 40 E CA 0.563 56.915 56.400 -0.080 0.000 0.820 40 E CB -0.339 29.323 29.700 -0.065 0.000 0.770 40 E HN 0.534 nan 8.360 nan 0.000 0.462 41 M N 0.701 120.200 119.600 -0.168 0.000 2.296 41 M HA -0.136 4.345 4.480 0.000 0.000 0.265 41 M C 2.254 178.440 176.300 -0.191 0.000 1.064 41 M CA 1.159 56.324 55.300 -0.225 0.000 1.109 41 M CB -0.028 32.386 32.600 -0.309 0.000 1.396 41 M HN 0.058 nan 8.290 nan 0.000 0.430 42 E N 0.614 120.710 120.200 -0.173 0.000 2.072 42 E HA -0.178 4.172 4.350 0.000 0.000 0.190 42 E C 1.755 178.324 176.600 -0.052 0.000 0.982 42 E CA 1.085 57.424 56.400 -0.101 0.000 0.803 42 E CB 0.219 29.897 29.700 -0.036 0.000 0.755 42 E HN 0.424 nan 8.360 nan 0.000 0.453 43 K N 0.466 120.836 120.400 -0.051 0.000 2.057 43 K HA -0.112 4.208 4.320 0.000 0.000 0.206 43 K C 1.891 178.473 176.600 -0.030 0.000 1.050 43 K CA 1.399 57.667 56.287 -0.031 0.000 0.935 43 K CB -0.026 32.458 32.500 -0.027 0.000 0.715 43 K HN 0.140 nan 8.250 nan 0.000 0.439 44 E N -0.188 119.984 120.200 -0.047 0.000 2.515 44 E HA -0.060 4.290 4.350 0.000 0.000 0.201 44 E C 0.842 177.426 176.600 -0.027 0.000 1.071 44 E CA 0.361 56.739 56.400 -0.037 0.000 0.880 44 E CB 0.001 29.665 29.700 -0.060 0.000 0.828 44 E HN 0.531 nan 8.360 nan 0.000 0.540 45 G N 1.499 110.280 108.800 -0.031 0.000 2.189 45 G HA2 -0.359 3.601 3.960 0.000 0.000 0.267 45 G HA3 -0.359 3.601 3.960 0.000 0.000 0.267 45 G C 1.058 175.955 174.900 -0.006 0.000 0.975 45 G CA 0.775 45.869 45.100 -0.010 0.000 0.644 45 G HN 0.142 nan 8.290 nan 0.000 0.537 46 K N 0.049 120.418 120.400 -0.052 0.000 2.057 46 K HA 0.035 4.355 4.320 0.000 0.000 0.207 46 K C 1.785 178.381 176.600 -0.008 0.000 1.049 46 K CA 1.780 58.047 56.287 -0.034 0.000 0.931 46 K CB -0.311 32.048 32.500 -0.235 0.000 0.714 46 K HN 0.909 nan 8.250 nan 0.000 0.440 47 I N -3.286 117.212 120.570 -0.120 0.000 3.023 47 I HA 0.450 4.620 4.170 0.000 0.000 0.312 47 I C -0.583 175.507 176.117 -0.046 0.000 1.056 47 I CA -0.980 60.229 61.300 -0.153 0.000 1.033 47 I CB 2.346 40.124 38.000 -0.369 0.000 1.233 47 I HN -0.257 nan 8.210 nan 0.000 0.462 48 S N 2.045 117.748 115.700 0.004 0.000 2.571 48 S HA 0.419 4.890 4.470 0.000 0.000 0.284 48 S C -0.637 173.990 174.600 0.044 0.000 1.128 48 S CA -0.815 57.407 58.200 0.037 0.000 0.970 48 S CB 1.298 64.503 63.200 0.009 0.000 1.039 48 S HN 0.649 nan 8.310 nan 0.000 0.485 49 K N 3.165 123.568 120.400 0.006 0.000 2.380 49 K HA 0.356 4.676 4.320 0.000 0.000 0.267 49 K C 0.093 176.573 176.600 -0.200 0.000 0.990 49 K CA 0.271 56.416 56.287 -0.237 0.000 0.946 49 K CB 0.220 32.547 32.500 -0.288 0.000 0.937 49 K HN 0.674 nan 8.250 nan 0.000 0.491 50 I N -2.711 117.699 120.570 -0.267 0.000 3.279 50 I HA 0.577 4.747 4.170 0.000 0.000 0.315 50 I C 0.093 176.097 176.117 -0.189 0.000 1.187 50 I CA -1.259 59.931 61.300 -0.183 0.000 0.953 50 I CB 1.897 39.808 38.000 -0.150 0.000 1.279 50 I HN 0.575 nan 8.210 nan 0.000 0.465 51 G N 0.360 109.076 108.800 -0.140 0.000 2.795 51 G HA2 0.639 4.599 3.960 0.000 0.000 0.267 51 G HA3 0.639 4.599 3.960 0.000 0.000 0.267 51 G C -2.265 172.565 174.900 -0.115 0.000 1.362 51 G CA -1.190 43.834 45.100 -0.127 0.000 1.048 51 G HN 0.577 nan 8.290 nan 0.000 0.547 52 P HA 0.084 nan 4.420 nan 0.000 0.257 52 P C 0.786 178.029 177.300 -0.095 0.000 1.325 52 P CA 0.326 63.369 63.100 -0.095 0.000 0.850 52 P CB 0.538 32.188 31.700 -0.084 0.000 1.324 53 E N 0.345 120.490 120.200 -0.091 0.000 2.427 53 E HA -0.104 4.246 4.350 0.000 0.000 0.196 53 E C 0.199 176.735 176.600 -0.106 0.000 1.028 53 E CA 0.176 56.522 56.400 -0.089 0.000 0.864 53 E CB -0.895 28.761 29.700 -0.073 0.000 0.813 53 E HN 0.321 nan 8.360 nan 0.000 0.514 54 N N 2.847 121.483 118.700 -0.108 0.000 2.469 54 N HA 0.084 4.825 4.740 0.000 0.000 0.239 54 N C -1.545 173.850 175.510 -0.191 0.000 1.053 54 N CA -1.477 51.506 53.050 -0.111 0.000 0.937 54 N CB 1.117 39.570 38.487 -0.057 0.000 1.163 54 N HN -0.169 nan 8.380 nan 0.000 0.509 55 P HA -0.139 nan 4.420 nan 0.000 0.228 55 P C -0.570 176.404 177.300 -0.543 0.000 1.151 55 P CA 0.948 63.752 63.100 -0.493 0.000 0.770 55 P CB 0.057 31.379 31.700 -0.630 0.000 0.786 56 Y N 0.510 120.780 120.300 -0.050 0.000 2.334 56 Y HA 0.517 5.068 4.550 0.000 0.000 0.325 56 Y C 1.011 176.918 175.900 0.011 0.000 1.308 56 Y CA -0.459 57.637 58.100 -0.008 0.000 1.389 56 Y CB 0.381 38.827 38.460 -0.023 0.000 1.328 56 Y HN -0.111 nan 8.280 nan 0.000 0.532 57 N N -1.469 117.366 118.700 0.225 0.000 3.340 57 N HA 0.444 5.184 4.740 0.000 0.000 0.234 57 N C -2.033 173.571 175.510 0.156 0.000 1.196 57 N CA -0.479 52.665 53.050 0.157 0.000 0.958 57 N CB 1.492 40.029 38.487 0.084 0.000 1.608 57 N HN 0.595 nan 8.380 nan 0.000 0.515 58 T N 2.002 116.637 114.554 0.134 0.000 2.933 58 T HA 0.574 4.925 4.350 0.000 0.000 0.305 58 T C -2.937 171.758 174.700 -0.008 0.000 1.092 58 T CA -0.861 61.273 62.100 0.057 0.000 1.008 58 T CB 2.302 71.154 68.868 -0.028 0.000 1.102 58 T HN 0.327 nan 8.240 nan 0.000 0.469 59 P HA 0.453 nan 4.420 nan 0.000 0.277 59 P C -0.862 176.300 177.300 -0.231 0.000 1.240 59 P CA -0.450 62.527 63.100 -0.205 0.000 0.798 59 P CB 1.036 32.600 31.700 -0.226 0.000 0.979 60 V N -0.061 119.647 119.914 -0.342 0.000 3.040 60 V HA 0.879 4.999 4.120 0.000 0.000 0.312 60 V C -0.505 175.480 176.094 -0.181 0.000 1.115 60 V CA -0.775 61.383 62.300 -0.236 0.000 0.998 60 V CB 1.597 33.201 31.823 -0.366 0.000 1.042 60 V HN 0.697 nan 8.190 nan 0.000 0.433 61 F N -0.288 119.454 119.950 -0.347 0.000 3.360 61 F HA 1.057 5.585 4.527 0.000 0.000 0.327 61 F C -0.571 175.165 175.800 -0.107 0.000 1.186 61 F CA -1.139 56.708 58.000 -0.255 0.000 0.903 61 F CB 0.715 39.633 39.000 -0.136 0.000 1.533 61 F HN 1.207 nan 8.300 nan 0.000 0.515 62 A N 0.812 123.583 122.820 -0.083 0.000 2.604 62 A HA 0.804 5.125 4.320 0.000 0.000 0.295 62 A C -1.839 175.895 177.584 0.250 0.000 1.067 62 A CA -0.307 51.685 52.037 -0.075 0.000 0.683 62 A CB 1.804 20.778 19.000 -0.044 0.000 1.281 62 A HN 1.624 nan 8.150 nan 0.000 0.407 63 I N -1.115 119.626 120.570 0.286 0.000 2.769 63 I HA 0.671 4.841 4.170 0.000 0.000 0.298 63 I C -0.848 175.238 176.117 -0.052 0.000 1.128 63 I CA -0.804 60.644 61.300 0.246 0.000 1.031 63 I CB 1.723 39.796 38.000 0.122 0.000 1.235 63 I HN 0.793 nan 8.210 nan 0.000 0.423 64 K N 4.832 124.936 120.400 -0.494 0.000 2.185 64 K HA 0.538 4.858 4.320 0.000 0.000 0.269 64 K C -0.886 175.502 176.600 -0.353 0.000 0.987 64 K CA -0.522 55.334 56.287 -0.718 0.000 0.865 64 K CB 1.655 33.403 32.500 -1.253 0.000 1.090 64 K HN 0.767 nan 8.250 nan 0.000 0.450 65 K N 2.064 122.297 120.400 -0.279 0.000 2.280 65 K HA 0.312 4.632 4.320 0.000 0.000 0.234 65 K C -0.666 175.821 176.600 -0.190 0.000 1.028 65 K CA -1.111 55.055 56.287 -0.203 0.000 0.882 65 K CB 0.981 33.368 32.500 -0.189 0.000 1.194 65 K HN 0.394 nan 8.250 nan 0.000 0.458 66 K N 2.158 122.463 120.400 -0.157 0.000 2.437 66 K HA -0.112 4.208 4.320 0.000 0.000 0.277 66 K C -0.017 176.499 176.600 -0.140 0.000 1.073 66 K CA 1.006 57.214 56.287 -0.133 0.000 1.105 66 K CB -0.088 32.348 32.500 -0.108 0.000 0.881 66 K HN 0.781 nan 8.250 nan 0.000 0.475 67 D N 0.602 120.932 120.400 -0.118 0.000 2.946 67 D HA -0.167 4.474 4.640 0.000 0.000 0.202 67 D C -1.042 175.188 176.300 -0.117 0.000 1.068 67 D CA 1.470 55.407 54.000 -0.105 0.000 1.011 67 D CB -0.641 40.099 40.800 -0.101 0.000 1.105 67 D HN 0.437 nan 8.370 nan 0.000 0.425 68 S N -0.387 115.226 115.700 -0.145 0.000 2.420 68 S HA 0.365 4.835 4.470 0.000 0.000 0.313 68 S C 1.034 175.528 174.600 -0.176 0.000 1.079 68 S CA -0.109 58.003 58.200 -0.146 0.000 1.104 68 S CB 1.628 64.733 63.200 -0.158 0.000 0.969 68 S HN 0.236 nan 8.310 nan 0.000 0.471 69 T N 2.112 116.585 114.554 -0.136 0.000 3.023 69 T HA 0.042 4.392 4.350 0.000 0.000 0.266 69 T C 0.685 175.293 174.700 -0.154 0.000 1.093 69 T CA 0.652 62.665 62.100 -0.145 0.000 1.129 69 T CB 0.079 68.902 68.868 -0.074 0.000 0.899 69 T HN 0.244 nan 8.240 nan 0.000 0.491 70 K N 1.447 121.786 120.400 -0.101 0.000 2.276 70 K HA 0.180 4.500 4.320 0.000 0.000 0.283 70 K C -0.490 176.080 176.600 -0.050 0.000 1.044 70 K CA -0.345 55.929 56.287 -0.022 0.000 0.944 70 K CB 0.527 33.029 32.500 0.004 0.000 1.012 70 K HN 0.311 nan 8.250 nan 0.000 0.472 71 W N 1.781 123.060 121.300 -0.036 0.000 2.126 71 W HA 0.169 4.829 4.660 0.000 0.000 0.346 71 W C 1.047 177.534 176.519 -0.053 0.000 1.279 71 W CA 0.002 57.320 57.345 -0.045 0.000 1.259 71 W CB 0.463 29.897 29.460 -0.043 0.000 1.133 71 W HN 0.369 nan 8.180 nan 0.000 0.592 72 R N 2.554 123.179 120.500 0.209 0.000 2.534 72 R HA 0.287 4.627 4.340 0.000 0.000 0.301 72 R C -0.571 175.756 176.300 0.047 0.000 0.961 72 R CA -0.921 55.230 56.100 0.084 0.000 0.871 72 R CB 1.108 31.408 30.300 0.001 0.000 1.170 72 R HN 0.464 nan 8.270 nan 0.000 0.446 73 K N 3.512 123.920 120.400 0.014 0.000 2.237 73 K HA 0.261 4.581 4.320 0.000 0.000 0.270 73 K C -1.338 175.182 176.600 -0.134 0.000 1.015 73 K CA -0.458 55.785 56.287 -0.074 0.000 0.949 73 K CB 0.711 33.185 32.500 -0.044 0.000 0.976 73 K HN 0.329 nan 8.250 nan 0.000 0.472 74 L N 4.396 125.436 121.223 -0.304 0.000 2.505 74 L HA 0.390 4.730 4.340 0.000 0.000 0.266 74 L C -1.773 174.910 176.870 -0.311 0.000 0.954 74 L CA -0.573 54.066 54.840 -0.335 0.000 0.852 74 L CB 1.874 43.587 42.059 -0.576 0.000 1.282 74 L HN 0.420 nan 8.230 nan 0.000 0.403 75 V N 3.113 122.934 119.914 -0.155 0.000 2.581 75 V HA 0.419 4.540 4.120 0.000 0.000 0.303 75 V C -0.507 175.514 176.094 -0.121 0.000 1.041 75 V CA -0.622 61.522 62.300 -0.261 0.000 0.907 75 V CB 1.823 33.268 31.823 -0.629 0.000 0.994 75 V HN 0.758 nan 8.190 nan 0.000 0.442 76 D N 2.542 122.917 120.400 -0.043 0.000 2.619 76 D HA 0.226 4.866 4.640 0.000 0.000 0.224 76 D C 0.368 176.666 176.300 -0.002 0.000 1.133 76 D CA -0.235 53.828 54.000 0.104 0.000 1.017 76 D CB -0.152 40.798 40.800 0.250 0.000 1.077 76 D HN 0.370 nan 8.370 nan 0.000 0.503 77 F N 0.888 120.931 119.950 0.155 0.000 2.754 77 F HA 0.178 4.705 4.527 0.001 0.000 0.303 77 F C 2.194 178.070 175.800 0.128 0.000 1.196 77 F CA -0.091 57.989 58.000 0.134 0.000 1.416 77 F CB -0.196 38.892 39.000 0.147 0.000 1.092 77 F HN 0.218 nan 8.300 nan 0.000 0.541 78 R N 0.713 121.347 120.500 0.223 0.000 2.119 78 R HA -0.269 4.071 4.340 0.000 0.000 0.246 78 R C 2.221 178.605 176.300 0.139 0.000 1.146 78 R CA 2.060 58.234 56.100 0.124 0.000 0.962 78 R CB -0.111 30.187 30.300 -0.004 0.000 0.863 78 R HN 0.256 nan 8.270 nan 0.000 0.442 79 E N 0.010 120.304 120.200 0.156 0.000 2.021 79 E HA -0.113 4.237 4.350 0.000 0.000 0.189 79 E C 1.758 178.470 176.600 0.187 0.000 0.980 79 E CA 0.980 57.470 56.400 0.149 0.000 0.803 79 E CB -0.417 29.366 29.700 0.137 0.000 0.766 79 E HN 0.260 nan 8.360 nan 0.000 0.449 80 L N 1.112 122.474 121.223 0.233 0.000 2.351 80 L HA -0.180 4.161 4.340 0.000 0.000 0.220 80 L C 1.081 178.119 176.870 0.280 0.000 1.127 80 L CA 1.639 56.593 54.840 0.190 0.000 0.786 80 L CB -0.711 41.464 42.059 0.194 0.000 0.914 80 L HN 0.229 nan 8.230 nan 0.000 0.443 81 N N 0.260 119.167 118.700 0.345 0.000 2.290 81 N HA -0.114 4.626 4.740 0.000 0.000 0.179 81 N C 1.622 177.403 175.510 0.453 0.000 1.016 81 N CA 0.808 54.125 53.050 0.445 0.000 0.871 81 N CB -0.001 38.656 38.487 0.284 0.000 0.987 81 N HN 0.422 nan 8.380 nan 0.000 0.431 82 K N 1.015 121.588 120.400 0.289 0.000 2.148 82 K HA -0.037 4.284 4.320 0.000 0.000 0.204 82 K C 1.399 178.110 176.600 0.186 0.000 1.050 82 K CA 0.861 57.285 56.287 0.227 0.000 0.942 82 K CB 0.058 32.641 32.500 0.139 0.000 0.724 82 K HN 0.315 nan 8.250 nan 0.000 0.446 83 R N 0.359 120.965 120.500 0.176 0.000 2.359 83 R HA 0.064 4.404 4.340 0.000 0.000 0.231 83 R C 0.829 177.202 176.300 0.121 0.000 0.913 83 R CA 0.803 56.967 56.100 0.106 0.000 1.075 83 R CB 0.076 30.405 30.300 0.048 0.000 1.087 83 R HN 0.069 nan 8.270 nan 0.000 0.515 84 T N -3.863 110.839 114.554 0.247 0.000 3.111 84 T HA 0.005 4.355 4.350 0.000 0.000 0.284 84 T C 1.504 176.268 174.700 0.106 0.000 0.983 84 T CA -0.406 61.861 62.100 0.277 0.000 0.900 84 T CB 0.611 69.806 68.868 0.545 0.000 1.132 84 T HN 0.151 nan 8.240 nan 0.000 0.531 85 Q N 1.720 121.463 119.800 -0.095 0.000 2.133 85 Q HA -0.286 4.054 4.340 0.000 0.000 0.208 85 Q C 1.805 177.202 176.000 -1.006 0.000 0.991 85 Q CA 2.478 57.682 55.803 -0.999 0.000 0.867 85 Q CB -0.446 28.002 28.738 -0.484 0.000 0.911 85 Q HN 0.595 nan 8.270 nan 0.000 0.417 86 D N -0.782 119.358 120.400 -0.434 0.000 2.116 86 D HA -0.229 4.411 4.640 0.000 0.000 0.193 86 D C 1.534 177.657 176.300 -0.295 0.000 0.998 86 D CA 1.629 55.451 54.000 -0.297 0.000 0.836 86 D CB -0.346 40.376 40.800 -0.130 0.000 0.951 86 D HN 0.416 nan 8.370 nan 0.000 0.449 87 F N 0.638 120.383 119.950 -0.342 0.000 2.069 87 F HA -0.152 4.375 4.527 0.000 0.000 0.298 87 F C 1.932 177.595 175.800 -0.229 0.000 1.113 87 F CA 2.144 60.005 58.000 -0.231 0.000 1.214 87 F CB -0.462 38.468 39.000 -0.116 0.000 0.978 87 F HN 0.284 nan 8.300 nan 0.000 0.474 88 W N 0.247 121.464 121.300 -0.139 0.000 3.077 88 W HA 0.152 4.812 4.660 0.000 0.000 0.266 88 W C 1.638 178.032 176.519 -0.209 0.000 1.300 88 W CA 0.747 57.913 57.345 -0.299 0.000 1.586 88 W CB -0.998 28.333 29.460 -0.216 0.000 1.103 88 W HN 0.307 nan 8.180 nan 0.000 0.652 89 E N 1.291 121.237 120.200 -0.422 0.000 2.251 89 E HA -0.044 4.307 4.350 0.000 0.000 0.194 89 E C 1.654 178.157 176.600 -0.162 0.000 0.964 89 E CA 0.561 56.849 56.400 -0.187 0.000 0.868 89 E CB 0.252 29.696 29.700 -0.427 0.000 0.828 89 E HN 0.014 nan 8.360 nan 0.000 0.481 90 V N 1.074 120.840 119.914 -0.247 0.000 2.607 90 V HA -0.097 4.023 4.120 0.000 0.000 0.228 90 V C 2.301 178.291 176.094 -0.173 0.000 1.106 90 V CA 1.008 63.203 62.300 -0.174 0.000 1.141 90 V CB -0.658 31.064 31.823 -0.169 0.000 0.808 90 V HN 0.195 nan 8.190 nan 0.000 0.501 91 Q N 0.144 119.812 119.800 -0.221 0.000 2.014 91 Q HA -0.148 4.193 4.340 0.000 0.000 0.207 91 Q C 1.392 177.239 176.000 -0.255 0.000 0.993 91 Q CA 1.615 57.283 55.803 -0.226 0.000 0.850 91 Q CB -0.165 28.419 28.738 -0.256 0.000 0.916 91 Q HN 0.438 nan 8.270 nan 0.000 0.417 92 L N 1.138 122.130 121.223 -0.385 0.000 3.073 92 L HA 0.305 4.645 4.340 0.000 0.000 0.242 92 L C 0.508 177.257 176.870 -0.202 0.000 1.317 92 L CA -0.808 53.837 54.840 -0.325 0.000 1.081 92 L CB 0.461 42.220 42.059 -0.501 0.000 1.456 92 L HN 0.076 nan 8.230 nan 0.000 0.525 93 G N 0.609 109.334 108.800 -0.125 0.000 2.614 93 G HA2 0.269 4.230 3.960 0.000 0.000 0.239 93 G HA3 0.269 4.230 3.960 0.000 0.000 0.239 93 G C -0.643 174.260 174.900 0.004 0.000 1.240 93 G CA -0.172 44.914 45.100 -0.023 0.000 0.842 93 G HN 0.244 nan 8.290 nan 0.000 0.584 94 I N 2.522 123.130 120.570 0.064 0.000 2.418 94 I HA 0.364 4.534 4.170 0.000 0.000 0.287 94 I C -1.736 174.490 176.117 0.182 0.000 1.008 94 I CA -2.547 58.803 61.300 0.083 0.000 1.104 94 I CB 2.152 40.175 38.000 0.040 0.000 1.264 94 I HN 0.421 nan 8.210 nan 0.000 0.438 95 P HA 0.028 nan 4.420 nan 0.000 0.268 95 P C -1.386 176.121 177.300 0.345 0.000 1.208 95 P CA 0.240 63.464 63.100 0.206 0.000 0.777 95 P CB 0.488 32.261 31.700 0.122 0.000 0.875 96 H N 3.045 122.196 119.070 0.134 0.000 2.685 96 H HA 0.345 4.901 4.556 0.000 0.000 0.307 96 H C -2.090 173.153 175.328 -0.142 0.000 1.017 96 H CA -2.136 53.879 56.048 -0.055 0.000 1.237 96 H CB 0.423 30.119 29.762 -0.110 0.000 1.409 96 H HN 0.229 nan 8.280 nan 0.000 0.488 97 P HA 0.110 nan 4.420 nan 0.000 0.270 97 P C -0.046 176.805 177.300 -0.749 0.000 1.242 97 P CA -0.233 62.572 63.100 -0.491 0.000 0.768 97 P CB 1.065 32.606 31.700 -0.265 0.000 0.820 98 A N 3.187 125.728 122.820 -0.465 0.000 2.310 98 A HA 0.303 4.623 4.320 0.000 0.000 0.230 98 A C 1.774 179.212 177.584 -0.245 0.000 1.294 98 A CA 0.658 52.483 52.037 -0.354 0.000 0.898 98 A CB -0.664 18.234 19.000 -0.171 0.000 0.917 98 A HN 0.621 nan 8.150 nan 0.000 0.491 99 G N -0.829 107.827 108.800 -0.240 0.000 2.673 99 G HA2 0.128 4.088 3.960 0.000 0.000 0.208 99 G HA3 0.128 4.088 3.960 0.000 0.000 0.208 99 G C 1.232 176.032 174.900 -0.168 0.000 1.128 99 G CA 0.608 45.610 45.100 -0.163 0.000 0.805 99 G HN 0.395 nan 8.290 nan 0.000 0.526 100 L N 2.100 123.204 121.223 -0.199 0.000 2.089 100 L HA -0.140 4.200 4.340 0.000 0.000 0.213 100 L C 2.765 179.519 176.870 -0.193 0.000 1.079 100 L CA 2.622 57.364 54.840 -0.163 0.000 0.758 100 L CB -0.420 41.536 42.059 -0.173 0.000 0.891 100 L HN 0.435 nan 8.230 nan 0.000 0.433 101 K N -0.934 119.329 120.400 -0.228 0.000 2.519 101 K HA -0.182 4.138 4.320 0.000 0.000 0.196 101 K C 1.551 177.997 176.600 -0.257 0.000 1.041 101 K CA 1.549 57.681 56.287 -0.257 0.000 0.954 101 K CB -0.204 32.148 32.500 -0.247 0.000 0.774 101 K HN 0.403 nan 8.250 nan 0.000 0.480 102 K N 0.233 120.513 120.400 -0.200 0.000 2.367 102 K HA 0.113 4.433 4.320 0.000 0.000 0.195 102 K C 0.005 176.514 176.600 -0.152 0.000 1.060 102 K CA -0.243 55.946 56.287 -0.164 0.000 1.022 102 K CB 0.412 32.840 32.500 -0.120 0.000 0.894 102 K HN -0.102 nan 8.250 nan 0.000 0.540 103 K N 1.704 122.016 120.400 -0.147 0.000 2.380 103 K HA -0.005 4.316 4.320 0.000 0.000 0.267 103 K C 1.030 177.548 176.600 -0.136 0.000 0.990 103 K CA 0.226 56.446 56.287 -0.112 0.000 0.946 103 K CB 0.450 32.907 32.500 -0.071 0.000 0.937 103 K HN -0.249 nan 8.250 nan 0.000 0.491 104 K N 0.333 120.676 120.400 -0.095 0.000 2.103 104 K HA 0.041 4.361 4.320 0.000 0.000 0.204 104 K C -0.272 176.285 176.600 -0.072 0.000 1.052 104 K CA 0.970 57.206 56.287 -0.085 0.000 0.945 104 K CB 0.300 32.761 32.500 -0.065 0.000 0.722 104 K HN 0.516 nan 8.250 nan 0.000 0.443 105 S N -0.608 114.991 115.700 -0.169 0.000 2.546 105 S HA 0.478 4.948 4.470 0.000 0.000 0.272 105 S C -1.307 173.144 174.600 -0.249 0.000 1.140 105 S CA -0.848 57.151 58.200 -0.335 0.000 0.920 105 S CB 2.716 65.493 63.200 -0.705 0.000 1.083 105 S HN -0.104 nan 8.310 nan 0.000 0.476 106 V N 2.308 122.083 119.914 -0.230 0.000 2.760 106 V HA 0.802 4.922 4.120 0.000 0.000 0.309 106 V C -0.271 175.775 176.094 -0.080 0.000 1.077 106 V CA -0.766 61.514 62.300 -0.033 0.000 0.910 106 V CB 2.145 33.969 31.823 0.003 0.000 1.008 106 V HN 1.029 nan 8.190 nan 0.000 0.424 107 T N 0.591 115.160 114.554 0.024 0.000 2.893 107 T HA 0.809 5.159 4.350 0.000 0.000 0.291 107 T C -0.892 173.796 174.700 -0.020 0.000 1.028 107 T CA -0.781 61.271 62.100 -0.079 0.000 0.995 107 T CB 1.852 70.789 68.868 0.115 0.000 1.051 107 T HN 0.354 nan 8.240 nan 0.000 0.470 108 V N 3.329 123.271 119.914 0.048 0.000 2.398 108 V HA 0.510 4.631 4.120 0.000 0.000 0.286 108 V C -0.214 175.879 176.094 -0.003 0.000 1.026 108 V CA -0.821 61.398 62.300 -0.136 0.000 0.868 108 V CB 1.038 32.700 31.823 -0.269 0.000 0.982 108 V HN 0.807 nan 8.190 nan 0.000 0.443 109 L N 3.089 124.240 121.223 -0.119 0.000 2.334 109 L HA 0.557 4.897 4.340 0.000 0.000 0.273 109 L C -0.326 176.456 176.870 -0.147 0.000 1.013 109 L CA -0.619 54.152 54.840 -0.115 0.000 0.816 109 L CB 1.909 43.901 42.059 -0.112 0.000 1.278 109 L HN 0.562 nan 8.230 nan 0.000 0.431 110 D N 1.135 121.443 120.400 -0.153 0.000 2.500 110 D HA 0.188 4.828 4.640 0.000 0.000 0.219 110 D C 0.655 176.833 176.300 -0.204 0.000 1.137 110 D CA -0.328 53.574 54.000 -0.165 0.000 0.946 110 D CB 0.925 41.634 40.800 -0.153 0.000 1.022 110 D HN 0.297 nan 8.370 nan 0.000 0.518 111 V N 1.496 121.255 119.914 -0.258 0.000 3.577 111 V HA 0.338 4.459 4.120 0.000 0.000 0.294 111 V C 1.947 177.676 176.094 -0.608 0.000 1.317 111 V CA 0.481 62.561 62.300 -0.367 0.000 1.169 111 V CB 0.046 31.654 31.823 -0.359 0.000 1.011 111 V HN 0.408 nan 8.190 nan 0.000 0.426 112 G N 0.988 109.484 108.800 -0.507 0.000 2.475 112 G HA2 -0.357 3.603 3.960 0.000 0.000 0.220 112 G HA3 -0.357 3.603 3.960 0.000 0.000 0.220 112 G C 1.141 175.596 174.900 -0.741 0.000 1.125 112 G CA 1.265 45.996 45.100 -0.615 0.000 0.755 112 G HN 0.599 nan 8.290 nan 0.000 0.565 113 D N 0.884 120.986 120.400 -0.496 0.000 2.149 113 D HA -0.014 4.627 4.640 0.000 0.000 0.198 113 D C 2.702 178.764 176.300 -0.397 0.000 0.990 113 D CA 1.323 55.116 54.000 -0.345 0.000 0.839 113 D CB -0.439 40.318 40.800 -0.071 0.000 0.948 113 D HN 0.244 nan 8.370 nan 0.000 0.460 114 A N -0.601 121.892 122.820 -0.545 0.000 2.032 114 A HA -0.226 4.095 4.320 0.000 0.000 0.221 114 A C 1.826 179.030 177.584 -0.634 0.000 1.165 114 A CA 1.445 53.135 52.037 -0.577 0.000 0.645 114 A CB -1.126 17.388 19.000 -0.811 0.000 0.807 114 A HN 0.407 nan 8.150 nan 0.000 0.453 115 Y N -1.587 118.329 120.300 -0.639 0.000 2.373 115 Y HA -0.044 4.506 4.550 0.000 0.000 0.293 115 Y C 1.801 177.636 175.900 -0.109 0.000 1.129 115 Y CA 0.121 57.944 58.100 -0.462 0.000 1.226 115 Y CB -0.975 37.216 38.460 -0.447 0.000 1.000 115 Y HN 0.323 nan 8.280 nan 0.000 0.549 116 F N -0.144 119.875 119.950 0.115 0.000 2.449 116 F HA -0.197 4.331 4.527 0.000 0.000 0.299 116 F C 2.236 178.125 175.800 0.149 0.000 1.092 116 F CA 0.820 58.906 58.000 0.143 0.000 1.446 116 F CB -1.052 38.016 39.000 0.115 0.000 1.084 116 F HN -0.042 nan 8.300 nan 0.000 0.567 117 S N -0.736 115.153 115.700 0.314 0.000 2.362 117 S HA -0.017 4.453 4.470 0.000 0.000 0.221 117 S C 0.988 175.753 174.600 0.276 0.000 1.032 117 S CA 0.307 58.677 58.200 0.283 0.000 0.973 117 S CB -0.265 63.117 63.200 0.304 0.000 0.849 117 S HN -0.035 nan 8.310 nan 0.000 0.465 118 V N 5.057 125.160 119.914 0.316 0.000 2.715 118 V HA 0.202 4.322 4.120 0.000 0.000 0.299 118 V C -1.997 174.236 176.094 0.232 0.000 1.054 118 V CA -1.637 60.823 62.300 0.266 0.000 1.077 118 V CB 0.492 32.494 31.823 0.299 0.000 0.972 118 V HN 0.268 nan 8.190 nan 0.000 0.484 119 P HA 0.345 nan 4.420 nan 0.000 0.282 119 P C -0.835 176.567 177.300 0.171 0.000 1.259 119 P CA -0.535 62.670 63.100 0.174 0.000 0.826 119 P CB 1.667 33.449 31.700 0.138 0.000 1.064 120 L N 1.444 122.772 121.223 0.174 0.000 2.334 120 L HA 0.322 4.663 4.340 0.000 0.000 0.275 120 L C 0.383 177.336 176.870 0.138 0.000 1.036 120 L CA -0.781 54.160 54.840 0.169 0.000 0.807 120 L CB 1.191 43.365 42.059 0.192 0.000 1.231 120 L HN 0.369 nan 8.230 nan 0.000 0.438 121 D N 2.384 122.855 120.400 0.118 0.000 2.487 121 D HA -0.119 4.521 4.640 0.000 0.000 0.243 121 D C 0.960 177.335 176.300 0.125 0.000 1.154 121 D CA 0.323 54.385 54.000 0.103 0.000 0.876 121 D CB 1.176 42.017 40.800 0.069 0.000 1.161 121 D HN 0.565 nan 8.370 nan 0.000 0.478 122 E N 2.912 123.170 120.200 0.097 0.000 2.108 122 E HA -0.272 4.078 4.350 0.000 0.000 0.203 122 E C 0.874 177.519 176.600 0.076 0.000 1.022 122 E CA 2.098 58.546 56.400 0.080 0.000 0.823 122 E CB -0.081 29.654 29.700 0.059 0.000 0.744 122 E HN 0.618 nan 8.360 nan 0.000 0.456 123 D N -1.093 119.364 120.400 0.094 0.000 2.144 123 D HA -0.121 4.519 4.640 0.000 0.000 0.200 123 D C 1.441 177.820 176.300 0.131 0.000 0.978 123 D CA 0.784 54.840 54.000 0.092 0.000 0.833 123 D CB -0.378 40.489 40.800 0.112 0.000 0.961 123 D HN 0.263 nan 8.370 nan 0.000 0.470 124 F N 1.228 121.195 119.950 0.028 0.000 2.661 124 F HA 0.091 4.618 4.527 0.001 0.000 0.298 124 F C 1.928 177.733 175.800 0.009 0.000 1.137 124 F CA 0.400 58.444 58.000 0.074 0.000 1.454 124 F CB 0.166 39.119 39.000 -0.078 0.000 1.103 124 F HN -0.215 nan 8.300 nan 0.000 0.577 125 R N 0.924 121.457 120.500 0.055 0.000 2.091 125 R HA -0.211 4.130 4.340 0.000 0.000 0.238 125 R C 2.226 178.453 176.300 -0.122 0.000 1.136 125 R CA 1.963 58.066 56.100 0.005 0.000 0.959 125 R CB -0.562 29.769 30.300 0.051 0.000 0.856 125 R HN 0.360 nan 8.270 nan 0.000 0.437 126 K N -0.166 120.089 120.400 -0.242 0.000 2.362 126 K HA -0.185 4.136 4.320 0.000 0.000 0.202 126 K C 0.988 177.340 176.600 -0.414 0.000 1.045 126 K CA 1.591 57.697 56.287 -0.301 0.000 0.936 126 K CB -0.237 32.059 32.500 -0.339 0.000 0.747 126 K HN 0.272 nan 8.250 nan 0.000 0.467 127 Y N 2.054 122.065 120.300 -0.483 0.000 2.544 127 Y HA -0.004 4.546 4.550 0.000 0.000 0.286 127 Y C 2.067 177.811 175.900 -0.259 0.000 1.141 127 Y CA 1.027 58.760 58.100 -0.612 0.000 1.299 127 Y CB 0.147 37.940 38.460 -1.112 0.000 1.030 127 Y HN 0.274 nan 8.280 nan 0.000 0.543 128 T N -2.358 112.204 114.554 0.015 0.000 3.188 128 T HA 0.463 4.813 4.350 0.000 0.000 0.250 128 T C 0.878 175.871 174.700 0.489 0.000 1.077 128 T CA -0.024 62.287 62.100 0.352 0.000 0.967 128 T CB -0.541 68.542 68.868 0.359 0.000 1.006 128 T HN 0.186 nan 8.240 nan 0.000 0.552 129 A N 1.909 124.885 122.820 0.261 0.000 2.565 129 A HA 0.509 4.829 4.320 0.000 0.000 0.237 129 A C -0.003 177.748 177.584 0.278 0.000 1.053 129 A CA -0.325 51.817 52.037 0.176 0.000 0.755 129 A CB -0.592 18.460 19.000 0.088 0.000 0.980 129 A HN 0.768 nan 8.150 nan 0.000 0.506 130 F N -0.642 119.365 119.950 0.095 0.000 2.629 130 F HA 0.835 5.362 4.527 0.000 0.000 0.316 130 F C -0.332 175.483 175.800 0.026 0.000 1.081 130 F CA -0.829 57.196 58.000 0.041 0.000 0.954 130 F CB 1.553 40.566 39.000 0.022 0.000 1.337 130 F HN 0.319 nan 8.300 nan 0.000 0.474 131 T N 2.599 117.289 114.554 0.227 0.000 2.879 131 T HA 0.530 4.880 4.350 0.000 0.000 0.290 131 T C -0.632 174.140 174.700 0.120 0.000 0.993 131 T CA -0.382 61.767 62.100 0.081 0.000 0.975 131 T CB 1.357 70.224 68.868 -0.001 0.000 0.981 131 T HN 0.566 nan 8.240 nan 0.000 0.439 132 I N 6.467 127.108 120.570 0.119 0.000 2.325 132 I HA 0.293 4.463 4.170 0.000 0.000 0.291 132 I C -1.639 174.480 176.117 0.003 0.000 1.019 132 I CA -2.035 59.314 61.300 0.081 0.000 1.302 132 I CB 1.329 39.408 38.000 0.132 0.000 1.401 132 I HN 0.368 nan 8.210 nan 0.000 0.485 133 P HA 0.198 nan 4.420 nan 0.000 0.277 133 P C -1.005 176.273 177.300 -0.036 0.000 1.271 133 P CA -0.433 62.643 63.100 -0.040 0.000 0.795 133 P CB 1.272 32.940 31.700 -0.053 0.000 1.101 134 S N -0.613 115.066 115.700 -0.035 0.000 2.538 134 S HA 0.496 4.966 4.470 0.000 0.000 0.288 134 S C 0.163 174.744 174.600 -0.032 0.000 1.108 134 S CA -0.972 57.207 58.200 -0.034 0.000 0.971 134 S CB 0.442 63.623 63.200 -0.032 0.000 1.041 134 S HN 0.287 nan 8.310 nan 0.000 0.483 135 I N 2.899 123.449 120.570 -0.033 0.000 2.752 135 I HA 0.012 4.182 4.170 0.000 0.000 0.289 135 I C 1.212 177.315 176.117 -0.023 0.000 1.197 135 I CA 0.336 61.618 61.300 -0.029 0.000 1.432 135 I CB -0.499 37.483 38.000 -0.029 0.000 1.359 135 I HN 1.029 nan 8.210 nan 0.000 0.571 136 N N 5.277 123.965 118.700 -0.020 0.000 2.693 136 N HA -0.279 4.462 4.740 0.000 0.000 0.249 136 N C 0.091 175.590 175.510 -0.018 0.000 1.119 136 N CA 1.168 54.208 53.050 -0.017 0.000 0.717 136 N CB -1.024 37.454 38.487 -0.015 0.000 1.071 136 N HN 0.855 nan 8.380 nan 0.000 0.555 137 N N -0.867 117.821 118.700 -0.021 0.000 2.710 137 N HA -0.273 4.467 4.740 0.000 0.000 0.249 137 N C 0.755 176.251 175.510 -0.023 0.000 1.059 137 N CA 1.199 54.236 53.050 -0.022 0.000 0.720 137 N CB -1.079 37.396 38.487 -0.019 0.000 0.983 137 N HN 0.819 nan 8.380 nan 0.000 0.544 138 E N 0.241 120.427 120.200 -0.023 0.000 2.209 138 E HA -0.150 4.201 4.350 0.000 0.000 0.196 138 E C 0.640 177.224 176.600 -0.027 0.000 0.993 138 E CA 1.438 57.824 56.400 -0.023 0.000 0.819 138 E CB 0.258 29.944 29.700 -0.023 0.000 0.745 138 E HN 0.438 nan 8.360 nan 0.000 0.477 139 T N -0.296 114.240 114.554 -0.030 0.000 2.868 139 T HA 0.370 4.721 4.350 0.000 0.000 0.306 139 T C -2.865 171.811 174.700 -0.039 0.000 1.224 139 T CA -1.881 60.198 62.100 -0.035 0.000 1.012 139 T CB 1.894 70.739 68.868 -0.038 0.000 1.221 139 T HN -0.117 nan 8.240 nan 0.000 0.499 140 P HA 0.327 nan 4.420 nan 0.000 0.272 140 P C 0.394 177.658 177.300 -0.059 0.000 1.240 140 P CA -0.108 62.962 63.100 -0.050 0.000 0.791 140 P CB 0.040 31.708 31.700 -0.054 0.000 0.978 141 G N 1.216 109.980 108.800 -0.060 0.000 2.340 141 G HA2 0.291 4.251 3.960 0.000 0.000 0.245 141 G HA3 0.291 4.251 3.960 0.000 0.000 0.245 141 G C 0.094 174.930 174.900 -0.106 0.000 1.294 141 G CA -0.548 44.512 45.100 -0.067 0.000 0.896 141 G HN 0.405 nan 8.290 nan 0.000 0.522 142 I N 2.824 123.322 120.570 -0.119 0.000 2.352 142 I HA 0.248 4.419 4.170 0.000 0.000 0.290 142 I C 0.590 176.519 176.117 -0.313 0.000 1.036 142 I CA -0.389 60.773 61.300 -0.230 0.000 1.336 142 I CB 0.807 38.679 38.000 -0.212 0.000 1.407 142 I HN 0.308 nan 8.210 nan 0.000 0.497 143 R N 6.091 126.344 120.500 -0.413 0.000 2.474 143 R HA 0.613 4.953 4.340 0.000 0.000 0.295 143 R C -1.450 174.455 176.300 -0.658 0.000 0.980 143 R CA -0.807 55.044 56.100 -0.415 0.000 0.934 143 R CB 1.602 31.743 30.300 -0.264 0.000 1.101 143 R HN 0.424 nan 8.270 nan 0.000 0.469 144 Y N 0.179 120.124 120.300 -0.591 0.000 2.581 144 Y HA 0.244 4.794 4.550 0.000 0.000 0.345 144 Y C -0.080 175.422 175.900 -0.663 0.000 1.036 144 Y CA -0.909 56.778 58.100 -0.688 0.000 1.042 144 Y CB 2.414 40.262 38.460 -1.020 0.000 1.289 144 Y HN 0.516 nan 8.280 nan 0.000 0.471 145 Q N 0.132 119.815 119.800 -0.195 0.000 2.421 145 Q HA 0.551 4.891 4.340 0.000 0.000 0.280 145 Q C -2.062 173.954 176.000 0.026 0.000 1.085 145 Q CA -1.102 54.677 55.803 -0.040 0.000 0.807 145 Q CB 2.245 30.983 28.738 0.001 0.000 1.405 145 Q HN 0.653 nan 8.270 nan 0.000 0.419 146 Y N 1.020 121.421 120.300 0.168 0.000 2.304 146 Y HA 0.216 4.766 4.550 0.000 0.000 0.327 146 Y C 0.626 176.602 175.900 0.126 0.000 1.209 146 Y CA 0.385 58.596 58.100 0.185 0.000 1.299 146 Y CB 1.304 39.917 38.460 0.255 0.000 1.249 146 Y HN 0.802 nan 8.280 nan 0.000 0.519 147 N N -0.012 118.877 118.700 0.315 0.000 2.210 147 N HA 0.146 4.886 4.740 0.000 0.000 0.203 147 N C -0.966 174.689 175.510 0.241 0.000 1.175 147 N CA -0.033 53.144 53.050 0.212 0.000 0.894 147 N CB 1.070 39.639 38.487 0.137 0.000 1.041 147 N HN 0.335 nan 8.380 nan 0.000 0.506 148 V N -1.891 118.227 119.914 0.339 0.000 3.155 148 V HA 0.515 4.635 4.120 0.000 0.000 0.313 148 V C -0.178 176.104 176.094 0.314 0.000 1.162 148 V CA -1.189 61.307 62.300 0.327 0.000 1.048 148 V CB 1.341 33.395 31.823 0.384 0.000 1.092 148 V HN -0.107 nan 8.190 nan 0.000 0.447 149 L N 3.443 124.824 121.223 0.263 0.000 2.499 149 L HA 0.313 4.653 4.340 0.000 0.000 0.273 149 L C -1.851 175.080 176.870 0.102 0.000 1.195 149 L CA -0.966 53.977 54.840 0.171 0.000 0.882 149 L CB 0.661 42.778 42.059 0.096 0.000 1.133 149 L HN 0.628 nan 8.230 nan 0.000 0.483 150 P HA 0.206 nan 4.420 nan 0.000 0.301 150 P C -1.422 175.775 177.300 -0.173 0.000 1.309 150 P CA -0.748 62.139 63.100 -0.355 0.000 0.782 150 P CB 0.984 32.135 31.700 -0.916 0.000 1.282 151 Q N -1.360 118.397 119.800 -0.072 0.000 2.282 151 Q HA 0.515 4.855 4.340 0.000 0.000 0.260 151 Q C 0.616 176.724 176.000 0.181 0.000 0.964 151 Q CA -0.194 55.625 55.803 0.027 0.000 0.880 151 Q CB 1.321 30.065 28.738 0.009 0.000 1.286 151 Q HN 0.873 nan 8.270 nan 0.000 0.445 152 G N 1.432 110.329 108.800 0.162 0.000 2.308 152 G HA2 -0.241 3.719 3.960 0.000 0.000 0.221 152 G HA3 -0.241 3.719 3.960 0.000 0.000 0.221 152 G C -0.637 174.424 174.900 0.270 0.000 1.032 152 G CA -0.275 44.998 45.100 0.287 0.000 0.623 152 G HN 0.622 nan 8.290 nan 0.000 0.506 153 W N 3.088 124.304 121.300 -0.141 0.000 2.238 153 W HA 0.699 5.359 4.660 0.000 0.000 0.321 153 W C 1.125 177.443 176.519 -0.335 0.000 1.293 153 W CA -0.445 56.711 57.345 -0.316 0.000 1.204 153 W CB 0.756 29.886 29.460 -0.549 0.000 1.167 153 W HN 0.089 nan 8.180 nan 0.000 0.553 154 K N 3.043 123.063 120.400 -0.634 0.000 2.362 154 K HA -0.042 4.278 4.320 0.000 0.000 0.200 154 K C 2.041 177.962 176.600 -1.131 0.000 1.046 154 K CA 1.157 56.831 56.287 -1.022 0.000 0.952 154 K CB -0.115 31.377 32.500 -1.680 0.000 0.753 154 K HN 0.763 nan 8.250 nan 0.000 0.466 155 G N 0.354 108.006 108.800 -1.914 0.000 2.394 155 G HA2 -0.202 3.758 3.960 0.000 0.000 0.215 155 G HA3 -0.202 3.758 3.960 0.000 0.000 0.215 155 G C 1.450 175.692 174.900 -1.096 0.000 1.165 155 G CA 0.545 44.590 45.100 -1.758 0.000 0.784 155 G HN 0.166 nan 8.290 nan 0.000 0.535 156 S N 1.671 116.760 115.700 -1.019 0.000 2.372 156 S HA -0.124 4.346 4.470 0.000 0.000 0.227 156 S C 0.233 174.271 174.600 -0.937 0.000 1.044 156 S CA 1.805 59.534 58.200 -0.785 0.000 1.050 156 S CB -0.903 61.787 63.200 -0.850 0.000 0.901 156 S HN 0.474 nan 8.310 nan 0.000 0.447 157 P HA 0.164 nan 4.420 nan 0.000 0.237 157 P C 0.709 177.876 177.300 -0.221 0.000 1.178 157 P CA 0.952 63.780 63.100 -0.453 0.000 0.766 157 P CB 0.073 31.598 31.700 -0.293 0.000 0.876 158 A N -0.344 122.300 122.820 -0.293 0.000 1.997 158 A HA 0.127 4.448 4.320 0.000 0.000 0.212 158 A C 2.182 179.688 177.584 -0.130 0.000 1.178 158 A CA 0.309 52.230 52.037 -0.192 0.000 0.698 158 A CB -0.924 17.943 19.000 -0.222 0.000 0.842 158 A HN 0.068 nan 8.150 nan 0.000 0.458 159 I N -1.979 118.527 120.570 -0.107 0.000 2.406 159 I HA -0.093 4.077 4.170 0.000 0.000 0.249 159 I C 2.048 178.195 176.117 0.050 0.000 1.122 159 I CA 1.027 62.325 61.300 -0.004 0.000 1.431 159 I CB -0.136 37.891 38.000 0.044 0.000 1.087 159 I HN 0.369 nan 8.210 nan 0.000 0.424 160 F N 1.481 121.390 119.950 -0.068 0.000 2.748 160 F HA -0.111 4.416 4.527 0.001 0.000 0.299 160 F C 2.434 178.234 175.800 0.001 0.000 1.154 160 F CA 0.838 58.850 58.000 0.020 0.000 1.446 160 F CB -0.276 38.825 39.000 0.169 0.000 1.112 160 F HN 0.066 nan 8.300 nan 0.000 0.584 161 Q N -0.353 119.478 119.800 0.053 0.000 2.152 161 Q HA -0.216 4.125 4.340 0.000 0.000 0.206 161 Q C 2.156 178.094 176.000 -0.102 0.000 0.985 161 Q CA 2.036 57.833 55.803 -0.010 0.000 0.863 161 Q CB -0.098 28.623 28.738 -0.027 0.000 0.904 161 Q HN 0.379 nan 8.270 nan 0.000 0.422 162 S N 0.026 115.639 115.700 -0.145 0.000 2.355 162 S HA -0.113 4.357 4.470 0.000 0.000 0.222 162 S C 2.046 176.503 174.600 -0.239 0.000 1.031 162 S CA 1.295 59.402 58.200 -0.154 0.000 0.993 162 S CB -0.162 62.964 63.200 -0.123 0.000 0.859 162 S HN 0.399 nan 8.310 nan 0.000 0.453 163 S N 1.502 116.941 115.700 -0.435 0.000 2.355 163 S HA -0.071 4.399 4.470 0.000 0.000 0.222 163 S C 1.908 176.210 174.600 -0.497 0.000 1.031 163 S CA 1.286 59.137 58.200 -0.581 0.000 0.993 163 S CB -0.388 62.134 63.200 -1.129 0.000 0.859 163 S HN 0.308 nan 8.310 nan 0.000 0.453 164 M N 2.298 121.636 119.600 -0.437 0.000 2.080 164 M HA -0.128 4.352 4.480 0.000 0.000 0.260 164 M C 2.018 178.226 176.300 -0.153 0.000 1.068 164 M CA 1.690 56.911 55.300 -0.132 0.000 1.109 164 M CB -1.576 31.081 32.600 0.095 0.000 1.342 164 M HN 0.279 nan 8.290 nan 0.000 0.405 165 T N 0.765 115.242 114.554 -0.127 0.000 2.565 165 T HA -0.265 4.085 4.350 0.000 0.000 0.265 165 T C 1.756 176.388 174.700 -0.114 0.000 1.082 165 T CA 2.238 64.284 62.100 -0.091 0.000 1.173 165 T CB -0.419 68.407 68.868 -0.070 0.000 0.864 165 T HN 0.432 nan 8.240 nan 0.000 0.425 166 K N 0.417 120.733 120.400 -0.141 0.000 1.977 166 K HA -0.120 4.200 4.320 0.000 0.000 0.218 166 K C 2.244 178.706 176.600 -0.228 0.000 1.051 166 K CA 1.687 57.895 56.287 -0.132 0.000 0.953 166 K CB -0.647 31.783 32.500 -0.118 0.000 0.727 166 K HN 0.144 nan 8.250 nan 0.000 0.445 167 I N 1.305 121.585 120.570 -0.483 0.000 2.182 167 I HA -0.298 3.873 4.170 0.000 0.000 0.248 167 I C 1.983 177.870 176.117 -0.384 0.000 1.073 167 I CA 1.591 62.391 61.300 -0.833 0.000 1.335 167 I CB -0.258 37.231 38.000 -0.852 0.000 1.031 167 I HN 0.186 nan 8.210 nan 0.000 0.420 168 L N -0.728 120.342 121.223 -0.254 0.000 2.592 168 L HA 0.012 4.353 4.340 0.000 0.000 0.227 168 L C 2.108 178.946 176.870 -0.054 0.000 1.127 168 L CA 0.015 54.741 54.840 -0.189 0.000 0.884 168 L CB -0.252 41.707 42.059 -0.167 0.000 1.065 168 L HN 0.147 nan 8.230 nan 0.000 0.457 169 E N 1.545 121.736 120.200 -0.015 0.000 2.085 169 E HA -0.165 4.185 4.350 0.000 0.000 0.194 169 E C -0.596 176.057 176.600 0.088 0.000 0.994 169 E CA 1.588 58.010 56.400 0.038 0.000 0.801 169 E CB -0.827 28.896 29.700 0.039 0.000 0.743 169 E HN 0.285 nan 8.360 nan 0.000 0.453 170 P HA -0.111 nan 4.420 nan 0.000 0.221 170 P C 1.266 178.674 177.300 0.180 0.000 1.150 170 P CA 0.882 64.110 63.100 0.214 0.000 0.800 170 P CB -0.104 31.824 31.700 0.380 0.000 0.787 171 F N 1.395 121.304 119.950 -0.069 0.000 2.335 171 F HA 0.110 4.637 4.527 0.000 0.000 0.296 171 F C 2.118 177.874 175.800 -0.072 0.000 1.091 171 F CA 1.090 59.003 58.000 -0.144 0.000 1.399 171 F CB -0.119 38.615 39.000 -0.443 0.000 1.067 171 F HN -0.272 nan 8.300 nan 0.000 0.520 172 K N -0.034 120.455 120.400 0.149 0.000 2.296 172 K HA -0.071 4.249 4.320 0.000 0.000 0.200 172 K C 1.871 178.483 176.600 0.019 0.000 1.048 172 K CA 0.721 57.063 56.287 0.092 0.000 0.966 172 K CB 0.101 32.647 32.500 0.077 0.000 0.754 172 K HN 0.260 nan 8.250 nan 0.000 0.466 173 K N 0.753 121.160 120.400 0.011 0.000 2.021 173 K HA -0.139 4.181 4.320 0.000 0.000 0.205 173 K C 2.189 178.765 176.600 -0.040 0.000 1.047 173 K CA 1.025 57.311 56.287 -0.002 0.000 0.943 173 K CB -0.006 32.507 32.500 0.021 0.000 0.725 173 K HN 0.084 nan 8.250 nan 0.000 0.439 174 Q N 1.091 120.843 119.800 -0.081 0.000 2.226 174 Q HA -0.102 4.238 4.340 0.000 0.000 0.204 174 Q C -0.416 175.488 176.000 -0.161 0.000 0.975 174 Q CA 1.245 56.975 55.803 -0.122 0.000 0.866 174 Q CB 0.183 28.825 28.738 -0.161 0.000 0.915 174 Q HN 0.276 nan 8.270 nan 0.000 0.440 175 N N 0.959 119.536 118.700 -0.205 0.000 2.791 175 N HA 0.168 4.908 4.740 0.000 0.000 0.265 175 N C -2.429 173.044 175.510 -0.063 0.000 1.580 175 N CA -0.969 51.983 53.050 -0.164 0.000 0.809 175 N CB 1.598 39.912 38.487 -0.288 0.000 1.178 175 N HN 0.146 nan 8.380 nan 0.000 0.499 176 P HA -0.013 nan 4.420 nan 0.000 0.247 176 P C -0.496 176.806 177.300 0.004 0.000 1.225 176 P CA 0.823 63.919 63.100 -0.006 0.000 0.768 176 P CB 0.430 32.125 31.700 -0.009 0.000 1.020 177 D N -0.286 120.116 120.400 0.004 0.000 2.501 177 D HA 0.267 4.907 4.640 0.000 0.000 0.224 177 D C 0.671 176.990 176.300 0.032 0.000 1.202 177 D CA -0.013 53.995 54.000 0.012 0.000 0.829 177 D CB 0.936 41.739 40.800 0.005 0.000 1.023 177 D HN 0.285 nan 8.370 nan 0.000 0.499 178 I N 0.437 121.039 120.570 0.053 0.000 2.797 178 I HA 0.337 4.508 4.170 0.000 0.000 0.307 178 I C -0.249 175.915 176.117 0.078 0.000 1.033 178 I CA -1.107 60.244 61.300 0.084 0.000 1.071 178 I CB 2.674 40.757 38.000 0.138 0.000 1.255 178 I HN -0.391 nan 8.210 nan 0.000 0.445 179 V N 5.195 125.156 119.914 0.077 0.000 2.540 179 V HA 0.471 4.591 4.120 0.000 0.000 0.302 179 V C -0.289 175.867 176.094 0.103 0.000 1.035 179 V CA -0.618 61.724 62.300 0.069 0.000 0.873 179 V CB 1.884 33.725 31.823 0.029 0.000 0.992 179 V HN 0.353 nan 8.190 nan 0.000 0.428 180 I N 4.597 125.234 120.570 0.111 0.000 2.441 180 I HA 0.499 4.669 4.170 0.000 0.000 0.295 180 I C -0.980 175.274 176.117 0.229 0.000 0.994 180 I CA -0.671 60.707 61.300 0.131 0.000 1.144 180 I CB 1.618 39.650 38.000 0.054 0.000 1.314 180 I HN 0.697 nan 8.210 nan 0.000 0.445 181 Y N 5.091 125.474 120.300 0.139 0.000 2.421 181 Y HA 0.353 4.903 4.550 0.000 0.000 0.339 181 Y C -0.458 175.602 175.900 0.267 0.000 0.996 181 Y CA -0.915 57.290 58.100 0.174 0.000 1.046 181 Y CB 1.788 40.342 38.460 0.156 0.000 1.226 181 Y HN 0.626 nan 8.280 nan 0.000 0.445 182 Q N 6.013 125.557 119.800 -0.425 0.000 2.431 182 Q HA 0.276 4.616 4.340 0.000 0.000 0.249 182 Q C -2.169 173.594 176.000 -0.395 0.000 1.025 182 Q CA -0.710 54.941 55.803 -0.252 0.000 0.835 182 Q CB 0.672 29.343 28.738 -0.112 0.000 1.207 182 Q HN 0.726 nan 8.270 nan 0.000 0.490 183 Y N 6.394 126.583 120.300 -0.186 0.000 2.478 183 Y HA 0.291 4.842 4.550 0.000 0.000 0.329 183 Y C 0.278 176.245 175.900 0.112 0.000 0.967 183 Y CA -0.278 57.779 58.100 -0.072 0.000 1.255 183 Y CB 0.248 38.776 38.460 0.114 0.000 1.103 183 Y HN 0.990 nan 8.280 nan 0.000 0.497 184 M N 1.321 120.703 119.600 -0.362 0.000 7.319 184 M HA -0.469 4.011 4.480 0.000 0.000 0.313 184 M C 0.674 177.019 176.300 0.075 0.000 0.480 184 M CA 2.147 57.316 55.300 -0.219 0.000 1.311 184 M CB -0.714 31.717 32.600 -0.281 0.000 0.421 184 M HN 0.574 nan 8.290 nan 0.000 0.852 185 D N 0.859 121.333 120.400 0.123 0.000 2.351 185 D HA 0.012 4.652 4.640 0.000 0.000 0.216 185 D C -0.068 176.242 176.300 0.015 0.000 0.968 185 D CA 1.047 55.096 54.000 0.081 0.000 0.899 185 D CB -0.238 40.590 40.800 0.048 0.000 0.907 185 D HN 0.284 nan 8.370 nan 0.000 0.514 186 D N -0.250 120.232 120.400 0.137 0.000 2.332 186 D HA 0.433 5.073 4.640 0.000 0.000 0.252 186 D C -0.242 176.095 176.300 0.062 0.000 1.050 186 D CA -0.511 53.543 54.000 0.090 0.000 0.970 186 D CB 1.767 42.720 40.800 0.254 0.000 1.141 186 D HN -0.086 nan 8.370 nan 0.000 0.485 187 L N 1.862 123.031 121.223 -0.089 0.000 2.504 187 L HA 0.259 4.600 4.340 0.000 0.000 0.265 187 L C -1.598 175.210 176.870 -0.103 0.000 0.975 187 L CA -0.713 54.111 54.840 -0.028 0.000 0.864 187 L CB 0.586 42.593 42.059 -0.085 0.000 1.212 187 L HN 0.255 nan 8.230 nan 0.000 0.416 188 Y N 4.023 124.400 120.300 0.128 0.000 2.350 188 Y HA 0.440 4.990 4.550 0.000 0.000 0.340 188 Y C 0.125 176.091 175.900 0.109 0.000 1.006 188 Y CA -0.595 57.596 58.100 0.152 0.000 1.166 188 Y CB 1.447 40.050 38.460 0.239 0.000 1.168 188 Y HN 0.159 nan 8.280 nan 0.000 0.502 189 V N 3.504 123.506 119.914 0.148 0.000 2.378 189 V HA 0.742 4.863 4.120 0.000 0.000 0.288 189 V C 0.287 176.475 176.094 0.156 0.000 1.016 189 V CA -0.791 61.574 62.300 0.109 0.000 0.840 189 V CB 1.431 33.264 31.823 0.016 0.000 0.994 189 V HN 0.923 nan 8.190 nan 0.000 0.431 190 G N 2.925 111.814 108.800 0.148 0.000 2.495 190 G HA2 0.761 4.721 3.960 0.000 0.000 0.318 190 G HA3 0.761 4.721 3.960 0.000 0.000 0.318 190 G C -0.532 174.451 174.900 0.140 0.000 1.257 190 G CA -0.186 44.999 45.100 0.141 0.000 0.962 190 G HN 0.925 nan 8.290 nan 0.000 0.483 191 S N -0.055 115.750 115.700 0.175 0.000 2.671 191 S HA 0.568 5.038 4.470 0.000 0.000 0.277 191 S C -0.863 173.785 174.600 0.079 0.000 1.165 191 S CA -0.744 57.547 58.200 0.151 0.000 0.822 191 S CB 2.332 65.688 63.200 0.260 0.000 1.150 191 S HN 0.250 nan 8.310 nan 0.000 0.479 192 D N 0.197 120.630 120.400 0.056 0.000 2.395 192 D HA 0.355 4.995 4.640 0.000 0.000 0.213 192 D C 0.080 176.397 176.300 0.029 0.000 1.110 192 D CA -0.101 53.908 54.000 0.015 0.000 0.835 192 D CB -0.078 40.721 40.800 -0.002 0.000 0.965 192 D HN 0.263 nan 8.370 nan 0.000 0.505 193 L N 1.021 122.290 121.223 0.078 0.000 2.473 193 L HA 0.107 4.447 4.340 0.000 0.000 0.265 193 L C 0.900 177.811 176.870 0.068 0.000 1.243 193 L CA 0.076 54.965 54.840 0.082 0.000 0.822 193 L CB 0.200 42.334 42.059 0.125 0.000 1.101 193 L HN -0.150 nan 8.230 nan 0.000 0.507 194 E N 0.431 120.666 120.200 0.058 0.000 2.373 194 E HA 0.005 4.356 4.350 0.000 0.000 0.267 194 E C 0.937 177.585 176.600 0.079 0.000 1.032 194 E CA 0.040 56.466 56.400 0.043 0.000 0.889 194 E CB 0.445 30.165 29.700 0.032 0.000 0.984 194 E HN 0.392 nan 8.360 nan 0.000 0.425 195 I N 4.167 124.767 120.570 0.050 0.000 2.229 195 I HA -0.231 3.939 4.170 0.000 0.000 0.250 195 I C 1.624 177.818 176.117 0.128 0.000 1.096 195 I CA 2.592 63.940 61.300 0.079 0.000 1.358 195 I CB -0.623 37.402 38.000 0.042 0.000 1.047 195 I HN 0.671 nan 8.210 nan 0.000 0.422 196 G N -1.053 107.800 108.800 0.089 0.000 2.421 196 G HA2 -0.193 3.768 3.960 0.000 0.000 0.217 196 G HA3 -0.193 3.768 3.960 0.000 0.000 0.217 196 G C 1.485 176.437 174.900 0.088 0.000 1.143 196 G CA 0.636 45.785 45.100 0.081 0.000 0.784 196 G HN 0.574 nan 8.290 nan 0.000 0.541 197 Q N -0.901 118.954 119.800 0.092 0.000 2.339 197 Q HA 0.046 4.386 4.340 0.000 0.000 0.205 197 Q C 2.089 178.148 176.000 0.099 0.000 0.925 197 Q CA 0.688 56.538 55.803 0.078 0.000 0.898 197 Q CB -0.065 28.709 28.738 0.060 0.000 1.013 197 Q HN 0.726 nan 8.270 nan 0.000 0.504 198 H N 1.780 120.878 119.070 0.047 0.000 2.290 198 H HA -0.039 4.517 4.556 0.000 0.000 0.298 198 H C 2.002 177.371 175.328 0.068 0.000 1.087 198 H CA 1.704 57.785 56.048 0.055 0.000 1.291 198 H CB 0.227 30.018 29.762 0.049 0.000 1.369 198 H HN -0.027 nan 8.280 nan 0.000 0.492 199 R N -0.452 120.138 120.500 0.149 0.000 2.170 199 R HA -0.129 4.211 4.340 0.000 0.000 0.242 199 R C 2.377 178.697 176.300 0.034 0.000 1.145 199 R CA 1.709 57.868 56.100 0.098 0.000 0.984 199 R CB -0.446 29.936 30.300 0.135 0.000 0.869 199 R HN 0.675 nan 8.270 nan 0.000 0.455 200 T N -1.332 113.243 114.554 0.036 0.000 2.894 200 T HA 0.009 4.360 4.350 0.000 0.000 0.258 200 T C 1.819 176.545 174.700 0.043 0.000 1.043 200 T CA 0.379 62.503 62.100 0.039 0.000 1.141 200 T CB 0.080 68.973 68.868 0.042 0.000 0.873 200 T HN -0.071 nan 8.240 nan 0.000 0.449 201 K N 0.982 121.395 120.400 0.021 0.000 2.147 201 K HA 0.061 4.382 4.320 0.000 0.000 0.205 201 K C 2.200 178.870 176.600 0.117 0.000 1.049 201 K CA 0.679 57.015 56.287 0.081 0.000 0.936 201 K CB -0.461 32.060 32.500 0.035 0.000 0.722 201 K HN 0.407 nan 8.250 nan 0.000 0.446 202 I N 1.062 121.610 120.570 -0.037 0.000 2.252 202 I HA -0.172 3.998 4.170 0.000 0.000 0.245 202 I C 2.154 178.274 176.117 0.005 0.000 1.102 202 I CA 1.075 62.343 61.300 -0.055 0.000 1.385 202 I CB -0.807 37.145 38.000 -0.079 0.000 1.064 202 I HN 0.165 nan 8.210 nan 0.000 0.414 203 E N 1.092 121.312 120.200 0.034 0.000 2.274 203 E HA -0.157 4.194 4.350 0.000 0.000 0.194 203 E C 1.858 178.512 176.600 0.089 0.000 0.996 203 E CA 0.716 57.145 56.400 0.048 0.000 0.840 203 E CB 0.201 29.927 29.700 0.044 0.000 0.772 203 E HN 0.557 nan 8.360 nan 0.000 0.491 204 E N -0.075 120.214 120.200 0.148 0.000 2.318 204 E HA -0.011 4.340 4.350 0.000 0.000 0.193 204 E C 2.100 178.913 176.600 0.354 0.000 0.998 204 E CA 0.012 56.551 56.400 0.230 0.000 0.859 204 E CB 0.238 30.078 29.700 0.234 0.000 0.812 204 E HN 0.175 nan 8.360 nan 0.000 0.492 205 L N 0.758 122.122 121.223 0.235 0.000 2.162 205 L HA -0.031 4.310 4.340 0.000 0.000 0.205 205 L C 2.312 179.148 176.870 -0.056 0.000 1.086 205 L CA 0.781 55.536 54.840 -0.142 0.000 0.778 205 L CB 0.087 41.752 42.059 -0.657 0.000 0.928 205 L HN -0.004 nan 8.230 nan 0.000 0.446 206 R N -0.561 119.932 120.500 -0.011 0.000 2.081 206 R HA -0.193 4.148 4.340 0.000 0.000 0.235 206 R C 2.227 178.565 176.300 0.064 0.000 1.131 206 R CA 1.675 57.775 56.100 -0.000 0.000 0.960 206 R CB -0.300 29.997 30.300 -0.005 0.000 0.856 206 R HN 0.498 nan 8.270 nan 0.000 0.436 207 Q N -0.671 119.190 119.800 0.103 0.000 2.050 207 Q HA -0.217 4.124 4.340 0.000 0.000 0.202 207 Q C 1.943 178.052 176.000 0.183 0.000 0.980 207 Q CA 1.691 57.565 55.803 0.119 0.000 0.840 207 Q CB -0.221 28.584 28.738 0.112 0.000 0.898 207 Q HN 0.519 nan 8.270 nan 0.000 0.424 208 H N 0.163 119.323 119.070 0.149 0.000 2.426 208 H HA -0.115 4.441 4.556 0.000 0.000 0.298 208 H C 1.674 177.177 175.328 0.292 0.000 1.107 208 H CA 1.261 57.449 56.048 0.235 0.000 1.298 208 H CB 0.138 30.043 29.762 0.237 0.000 1.377 208 H HN 0.139 nan 8.280 nan 0.000 0.519 209 L N -0.715 120.695 121.223 0.311 0.000 2.341 209 L HA -0.082 4.258 4.340 0.000 0.000 0.214 209 L C 1.756 178.791 176.870 0.274 0.000 1.115 209 L CA 0.002 54.982 54.840 0.234 0.000 0.820 209 L CB -0.010 42.078 42.059 0.048 0.000 0.944 209 L HN 0.260 nan 8.230 nan 0.000 0.452 210 L N -0.387 120.956 121.223 0.199 0.000 2.141 210 L HA -0.101 4.239 4.340 0.000 0.000 0.209 210 L C 2.482 179.431 176.870 0.132 0.000 1.094 210 L CA 1.473 56.394 54.840 0.134 0.000 0.763 210 L CB -0.634 41.472 42.059 0.078 0.000 0.908 210 L HN 0.099 nan 8.230 nan 0.000 0.437 211 R N -1.777 118.811 120.500 0.147 0.000 2.377 211 R HA -0.179 4.161 4.340 0.000 0.000 0.207 211 R C 0.730 176.865 176.300 -0.276 0.000 1.075 211 R CA 0.944 56.992 56.100 -0.086 0.000 1.035 211 R CB -0.109 30.064 30.300 -0.211 0.000 0.857 211 R HN 0.415 nan 8.270 nan 0.000 0.475 212 W N -1.364 119.956 121.300 0.035 0.000 2.555 212 W HA 0.338 4.998 4.660 0.000 0.000 0.324 212 W C 0.583 177.136 176.519 0.057 0.000 0.973 212 W CA 0.184 57.562 57.345 0.055 0.000 1.481 212 W CB 0.485 29.997 29.460 0.087 0.000 1.064 212 W HN 0.023 nan 8.180 nan 0.000 0.543 213 G N 1.982 110.920 108.800 0.230 0.000 2.520 213 G HA2 -0.175 3.785 3.960 0.000 0.000 0.264 213 G HA3 -0.175 3.785 3.960 0.000 0.000 0.264 213 G C -0.807 174.169 174.900 0.126 0.000 1.140 213 G CA -0.504 44.684 45.100 0.147 0.000 1.012 213 G HN 0.164 nan 8.290 nan 0.000 0.511 214 L N 0.871 122.152 121.223 0.097 0.000 2.427 214 L HA 0.395 4.735 4.340 0.000 0.000 0.264 214 L C 0.465 177.334 176.870 -0.002 0.000 0.989 214 L CA -0.882 53.972 54.840 0.024 0.000 0.865 214 L CB 1.611 43.663 42.059 -0.011 0.000 1.209 214 L HN 0.141 nan 8.230 nan 0.000 0.430 215 T N 1.257 115.808 114.554 -0.005 0.000 2.751 215 T HA 0.057 4.407 4.350 0.000 0.000 0.279 215 T C 0.699 175.369 174.700 -0.049 0.000 0.941 215 T CA 0.465 62.557 62.100 -0.013 0.000 1.192 215 T CB -0.103 68.767 68.868 0.004 0.000 0.883 215 T HN 0.460 nan 8.240 nan 0.000 0.534 216 T N 6.621 121.144 114.554 -0.052 0.000 3.400 216 T HA 0.289 4.639 4.350 0.000 0.000 0.362 216 T C -1.676 172.975 174.700 -0.080 0.000 1.823 216 T CA -1.161 60.892 62.100 -0.079 0.000 1.374 216 T CB 0.177 68.999 68.868 -0.077 0.000 1.130 216 T HN 0.386 nan 8.240 nan 0.000 0.744 232 Y N 1.904 122.227 120.300 0.037 0.000 2.535 232 Y HA 0.441 4.992 4.550 0.000 0.000 0.266 232 Y C 0.626 176.526 175.900 0.000 0.000 1.088 232 Y CA 0.034 58.142 58.100 0.014 0.000 1.285 232 Y CB 0.410 38.867 38.460 -0.005 0.000 1.166 232 Y HN 0.012 nan 8.280 nan 0.000 0.525 233 E N 1.872 121.827 120.200 -0.408 0.000 2.398 233 E HA 0.166 4.516 4.350 0.000 0.000 0.263 233 E C -0.971 175.264 176.600 -0.608 0.000 1.046 233 E CA -0.097 55.968 56.400 -0.558 0.000 0.908 233 E CB 1.647 31.196 29.700 -0.251 0.000 0.963 233 E HN 0.229 nan 8.360 nan 0.000 0.431 234 L N 1.909 122.735 121.223 -0.662 0.000 2.358 234 L HA 0.272 4.613 4.340 0.000 0.000 0.268 234 L C 0.128 176.440 176.870 -0.930 0.000 1.032 234 L CA -0.368 54.183 54.840 -0.481 0.000 0.805 234 L CB 0.851 42.845 42.059 -0.108 0.000 1.253 234 L HN 0.435 nan 8.230 nan 0.000 0.452 235 H N 0.793 119.761 119.070 -0.169 0.000 2.596 235 H HA 0.194 4.750 4.556 0.000 0.000 0.240 235 H C -2.117 172.701 175.328 -0.850 0.000 1.406 235 H CA -1.325 54.507 56.048 -0.361 0.000 1.504 235 H CB 0.813 30.470 29.762 -0.176 0.000 1.688 235 H HN 0.338 nan 8.280 nan 0.000 0.546 236 P HA -0.171 nan 4.420 nan 0.000 0.218 236 P C 0.798 177.643 177.300 -0.758 0.000 1.146 236 P CA 1.464 63.680 63.100 -1.473 0.000 0.820 236 P CB 0.462 31.635 31.700 -0.878 0.000 0.778 237 D N -1.714 118.425 120.400 -0.435 0.000 2.323 237 D HA -0.012 4.628 4.640 0.000 0.000 0.209 237 D C 1.254 177.482 176.300 -0.122 0.000 0.973 237 D CA 0.784 54.655 54.000 -0.214 0.000 0.874 237 D CB -0.199 40.511 40.800 -0.150 0.000 0.930 237 D HN 0.182 nan 8.370 nan 0.000 0.521 238 K N -0.298 120.027 120.400 -0.126 0.000 2.397 238 K HA 0.071 4.391 4.320 0.000 0.000 0.202 238 K C -0.424 176.316 176.600 0.234 0.000 1.022 238 K CA -0.315 55.995 56.287 0.038 0.000 1.141 238 K CB 0.488 33.020 32.500 0.054 0.000 0.857 238 K HN 0.046 nan 8.250 nan 0.000 0.514 239 W N 2.695 124.022 121.300 0.045 0.000 2.332 239 W HA 0.149 4.809 4.660 0.000 0.000 0.306 239 W C 0.291 176.837 176.519 0.045 0.000 1.149 239 W CA -1.084 56.295 57.345 0.056 0.000 1.271 239 W CB 0.229 29.718 29.460 0.047 0.000 1.243 239 W HN -0.084 nan 8.180 nan 0.000 0.459 240 T N -0.607 114.100 114.554 0.255 0.000 2.795 240 T HA 0.453 4.803 4.350 0.000 0.000 0.282 240 T C -0.364 174.411 174.700 0.125 0.000 0.980 240 T CA -0.829 61.366 62.100 0.158 0.000 1.012 240 T CB 1.816 70.755 68.868 0.118 0.000 0.936 240 T HN 0.052 nan 8.240 nan 0.000 0.457 241 V N 4.552 124.533 119.914 0.111 0.000 2.276 241 V HA 0.150 4.271 4.120 0.000 0.000 0.249 241 V C 0.595 176.737 176.094 0.080 0.000 1.160 241 V CA -0.720 61.632 62.300 0.086 0.000 1.042 241 V CB -1.018 30.866 31.823 0.101 0.000 1.224 241 V HN 0.989 nan 8.190 nan 0.000 0.496 242 Q N 6.429 126.265 119.800 0.060 0.000 2.281 242 Q HA 0.398 4.738 4.340 0.000 0.000 0.267 242 Q C -2.206 173.860 176.000 0.109 0.000 1.053 242 Q CA -1.071 54.778 55.803 0.077 0.000 0.905 242 Q CB 0.312 29.087 28.738 0.062 0.000 1.195 242 Q HN 0.446 nan 8.270 nan 0.000 0.398 243 P HA 0.231 nan 4.420 nan 0.000 0.279 243 P C -0.215 177.211 177.300 0.210 0.000 1.276 243 P CA -0.744 62.469 63.100 0.189 0.000 0.801 243 P CB 0.835 32.639 31.700 0.173 0.000 1.127 244 I N -1.712 119.017 120.570 0.265 0.000 2.696 244 I HA 0.461 4.631 4.170 0.000 0.000 0.284 244 I C 0.028 176.250 176.117 0.176 0.000 1.129 244 I CA -0.641 60.814 61.300 0.258 0.000 1.410 244 I CB 0.951 39.135 38.000 0.306 0.000 1.399 244 I HN 0.050 nan 8.210 nan 0.000 0.579 245 V N 6.459 126.464 119.914 0.153 0.000 3.007 245 V HA 0.545 4.665 4.120 0.000 0.000 0.311 245 V C -0.482 175.680 176.094 0.113 0.000 1.120 245 V CA -0.807 61.560 62.300 0.112 0.000 0.980 245 V CB 2.347 34.227 31.823 0.095 0.000 1.033 245 V HN 0.713 nan 8.190 nan 0.000 0.429 246 L N 6.356 127.638 121.223 0.098 0.000 2.322 246 L HA 0.586 4.926 4.340 0.000 0.000 0.279 246 L C -1.906 175.043 176.870 0.131 0.000 1.036 246 L CA -1.639 53.269 54.840 0.113 0.000 0.807 246 L CB 1.636 43.749 42.059 0.091 0.000 1.226 246 L HN 0.574 nan 8.230 nan 0.000 0.433 247 P HA 0.058 nan 4.420 nan 0.000 0.271 247 P C -0.880 176.551 177.300 0.218 0.000 1.233 247 P CA -0.282 62.910 63.100 0.154 0.000 0.789 247 P CB 1.106 32.885 31.700 0.132 0.000 0.951 248 E N 1.737 122.006 120.200 0.115 0.000 2.255 248 E HA 0.198 4.548 4.350 0.000 0.000 0.245 248 E C -0.765 175.801 176.600 -0.058 0.000 0.909 248 E CA -0.505 55.964 56.400 0.114 0.000 0.747 248 E CB 0.639 30.386 29.700 0.077 0.000 1.215 248 E HN 0.250 nan 8.360 nan 0.000 0.424 249 K N 2.319 122.558 120.400 -0.268 0.000 2.156 249 K HA 0.289 4.609 4.320 0.000 0.000 0.250 249 K C 0.526 176.837 176.600 -0.481 0.000 0.955 249 K CA -0.600 55.313 56.287 -0.623 0.000 0.855 249 K CB 1.429 33.116 32.500 -1.356 0.000 1.101 249 K HN 0.359 nan 8.250 nan 0.000 0.434 250 D N 0.437 120.626 120.400 -0.352 0.000 2.106 250 D HA -0.042 4.598 4.640 0.000 0.000 0.203 250 D C -0.066 176.106 176.300 -0.213 0.000 0.977 250 D CA 1.222 55.112 54.000 -0.184 0.000 0.844 250 D CB 0.291 41.017 40.800 -0.123 0.000 1.002 250 D HN 0.265 nan 8.370 nan 0.000 0.461 251 S N -0.003 115.517 115.700 -0.300 0.000 2.454 251 S HA 0.326 4.796 4.470 0.000 0.000 0.306 251 S C -0.949 173.425 174.600 -0.377 0.000 1.100 251 S CA -0.733 57.347 58.200 -0.199 0.000 1.087 251 S CB 1.230 64.371 63.200 -0.098 0.000 1.019 251 S HN 0.123 nan 8.310 nan 0.000 0.480 252 W N 2.193 123.492 121.300 -0.001 0.000 2.391 252 W HA 0.446 5.106 4.660 0.000 0.000 0.311 252 W C 0.998 177.516 176.519 -0.002 0.000 1.087 252 W CA -0.604 56.741 57.345 -0.001 0.000 1.209 252 W CB 0.867 30.327 29.460 0.000 0.000 1.273 252 W HN 0.638 nan 8.180 nan 0.000 0.482 253 T N -1.098 113.552 114.554 0.159 0.000 2.881 253 T HA 0.236 4.586 4.350 0.000 0.000 0.278 253 T C 0.841 175.622 174.700 0.134 0.000 0.982 253 T CA -0.713 61.449 62.100 0.103 0.000 0.989 253 T CB 1.332 70.226 68.868 0.043 0.000 1.058 253 T HN 0.216 nan 8.240 nan 0.000 0.529 254 V N 1.979 121.944 119.914 0.086 0.000 2.407 254 V HA -0.154 3.967 4.120 0.000 0.000 0.248 254 V C 2.880 179.019 176.094 0.075 0.000 1.055 254 V CA 2.166 64.511 62.300 0.074 0.000 1.049 254 V CB -1.258 30.593 31.823 0.047 0.000 0.662 254 V HN 0.993 nan 8.190 nan 0.000 0.455 255 N N 0.343 119.081 118.700 0.065 0.000 2.058 255 N HA -0.225 4.516 4.740 0.000 0.000 0.191 255 N C 1.508 177.070 175.510 0.086 0.000 1.037 255 N CA 1.998 55.081 53.050 0.056 0.000 0.848 255 N CB -0.046 38.461 38.487 0.034 0.000 1.021 255 N HN 0.472 nan 8.380 nan 0.000 0.422 256 D N 0.901 121.378 120.400 0.129 0.000 2.104 256 D HA -0.154 4.487 4.640 0.000 0.000 0.194 256 D C 1.845 178.303 176.300 0.263 0.000 0.994 256 D CA 0.647 54.779 54.000 0.220 0.000 0.830 256 D CB -0.406 40.569 40.800 0.292 0.000 0.959 256 D HN 0.330 nan 8.370 nan 0.000 0.452 257 I N 0.658 121.369 120.570 0.235 0.000 2.454 257 I HA -0.237 3.933 4.170 0.000 0.000 0.254 257 I C 1.809 177.960 176.117 0.056 0.000 1.156 257 I CA 1.379 62.736 61.300 0.095 0.000 1.433 257 I CB -0.208 37.820 38.000 0.047 0.000 1.082 257 I HN 0.021 nan 8.210 nan 0.000 0.432 258 Q N 0.294 120.137 119.800 0.071 0.000 1.946 258 Q HA -0.204 4.137 4.340 0.000 0.000 0.199 258 Q C 2.253 178.289 176.000 0.060 0.000 0.979 258 Q CA 1.694 57.528 55.803 0.052 0.000 0.834 258 Q CB -0.305 28.461 28.738 0.046 0.000 0.899 258 Q HN 0.455 nan 8.270 nan 0.000 0.431 259 K N 0.577 121.017 120.400 0.066 0.000 2.077 259 K HA -0.250 4.070 4.320 0.000 0.000 0.213 259 K C 2.141 178.790 176.600 0.082 0.000 1.051 259 K CA 1.466 57.790 56.287 0.061 0.000 0.929 259 K CB -0.451 32.080 32.500 0.052 0.000 0.715 259 K HN 0.050 nan 8.250 nan 0.000 0.451 260 L N 1.110 122.390 121.223 0.094 0.000 1.963 260 L HA -0.256 4.084 4.340 0.000 0.000 0.220 260 L C 2.180 179.091 176.870 0.069 0.000 1.076 260 L CA 1.680 56.569 54.840 0.081 0.000 0.772 260 L CB -0.659 41.416 42.059 0.027 0.000 0.892 260 L HN -0.012 nan 8.230 nan 0.000 0.435 261 V N 0.193 120.132 119.914 0.042 0.000 2.317 261 V HA -0.328 3.793 4.120 0.000 0.000 0.251 261 V C 2.623 178.771 176.094 0.089 0.000 1.065 261 V CA 1.950 64.275 62.300 0.043 0.000 1.049 261 V CB -1.854 29.984 31.823 0.025 0.000 0.651 261 V HN 0.710 nan 8.190 nan 0.000 0.450 262 G N -0.486 108.376 108.800 0.104 0.000 2.513 262 G HA2 -0.388 3.572 3.960 0.000 0.000 0.219 262 G HA3 -0.388 3.572 3.960 0.000 0.000 0.219 262 G C 1.651 176.701 174.900 0.249 0.000 1.160 262 G CA 1.431 46.620 45.100 0.150 0.000 0.767 262 G HN 0.522 nan 8.290 nan 0.000 0.571 263 K N -0.063 120.494 120.400 0.261 0.000 2.025 263 K HA 0.080 4.401 4.320 0.000 0.000 0.207 263 K C 2.646 179.456 176.600 0.350 0.000 1.049 263 K CA 0.812 57.343 56.287 0.406 0.000 0.933 263 K CB -0.289 32.402 32.500 0.318 0.000 0.714 263 K HN 0.348 nan 8.250 nan 0.000 0.438 264 L N 1.149 122.488 121.223 0.194 0.000 2.012 264 L HA -0.243 4.098 4.340 0.000 0.000 0.210 264 L C 2.428 179.342 176.870 0.074 0.000 1.073 264 L CA 1.708 56.613 54.840 0.107 0.000 0.748 264 L CB -0.764 41.322 42.059 0.044 0.000 0.891 264 L HN 0.369 nan 8.230 nan 0.000 0.431 265 N N -0.503 118.250 118.700 0.089 0.000 2.149 265 N HA -0.271 4.470 4.740 0.000 0.000 0.188 265 N C 1.676 177.201 175.510 0.025 0.000 1.019 265 N CA 1.451 54.526 53.050 0.043 0.000 0.857 265 N CB -0.274 38.250 38.487 0.062 0.000 0.997 265 N HN 0.397 nan 8.380 nan 0.000 0.426 266 W N 1.025 122.293 121.300 -0.053 0.000 2.408 266 W HA 0.142 4.803 4.660 0.000 0.000 0.311 266 W C 2.129 178.546 176.519 -0.170 0.000 1.190 266 W CA 1.905 59.165 57.345 -0.141 0.000 1.321 266 W CB -0.831 28.515 29.460 -0.190 0.000 1.143 266 W HN 0.100 nan 8.180 nan 0.000 0.501 267 A N -0.152 122.517 122.820 -0.252 0.000 2.225 267 A HA -0.140 4.181 4.320 0.000 0.000 0.215 267 A C 1.952 179.352 177.584 -0.307 0.000 1.164 267 A CA 1.746 53.506 52.037 -0.462 0.000 0.710 267 A CB -1.219 17.796 19.000 0.025 0.000 0.780 267 A HN 0.334 nan 8.150 nan 0.000 0.473 268 S N -0.478 115.057 115.700 -0.275 0.000 2.481 268 S HA -0.140 4.330 4.470 0.000 0.000 0.231 268 S C 1.762 176.163 174.600 -0.331 0.000 0.996 268 S CA 1.175 59.253 58.200 -0.203 0.000 0.942 268 S CB -0.344 62.768 63.200 -0.148 0.000 0.768 268 S HN 0.744 nan 8.310 nan 0.000 0.520 269 Q N -0.055 119.384 119.800 -0.602 0.000 2.432 269 Q HA 0.092 4.432 4.340 0.000 0.000 0.205 269 Q C 1.396 177.012 176.000 -0.640 0.000 0.945 269 Q CA 0.422 55.735 55.803 -0.816 0.000 0.924 269 Q CB 0.059 27.837 28.738 -1.599 0.000 1.016 269 Q HN 0.499 nan 8.270 nan 0.000 0.503 270 I N -0.284 119.980 120.570 -0.510 0.000 2.490 270 I HA -0.067 4.103 4.170 0.000 0.000 0.234 270 I C 0.571 176.428 176.117 -0.435 0.000 1.066 270 I CA 0.969 61.982 61.300 -0.479 0.000 1.405 270 I CB -0.775 36.832 38.000 -0.655 0.000 1.191 270 I HN 0.016 nan 8.210 nan 0.000 0.433 271 Y N 2.077 122.285 120.300 -0.152 0.000 2.330 271 Y HA 0.353 4.903 4.550 0.000 0.000 0.336 271 Y C -1.488 174.339 175.900 -0.122 0.000 1.036 271 Y CA -2.834 55.206 58.100 -0.101 0.000 1.125 271 Y CB -0.246 38.171 38.460 -0.072 0.000 1.194 271 Y HN 0.082 nan 8.280 nan 0.000 0.469 272 P HA -0.005 nan 4.420 nan 0.000 0.236 272 P C 1.193 178.485 177.300 -0.013 0.000 1.177 272 P CA 1.043 64.132 63.100 -0.018 0.000 0.773 272 P CB 0.312 31.994 31.700 -0.030 0.000 0.878 273 G N 0.711 109.517 108.800 0.009 0.000 2.448 273 G HA2 -0.059 3.902 3.960 0.000 0.000 0.218 273 G HA3 -0.059 3.902 3.960 0.000 0.000 0.218 273 G C 0.866 175.740 174.900 -0.043 0.000 1.135 273 G CA -0.029 45.058 45.100 -0.023 0.000 0.784 273 G HN 0.135 nan 8.290 nan 0.000 0.543 274 I N 1.262 121.806 120.570 -0.044 0.000 2.742 274 I HA 0.135 4.305 4.170 0.000 0.000 0.287 274 I C 0.057 176.144 176.117 -0.050 0.000 1.186 274 I CA 0.192 61.457 61.300 -0.059 0.000 1.417 274 I CB 0.465 38.433 38.000 -0.054 0.000 1.377 274 I HN -0.063 nan 8.210 nan 0.000 0.556 275 K N 4.479 124.848 120.400 -0.052 0.000 2.208 275 K HA 0.520 4.840 4.320 0.000 0.000 0.247 275 K C 0.277 176.849 176.600 -0.046 0.000 0.953 275 K CA -0.504 55.755 56.287 -0.046 0.000 0.837 275 K CB 2.410 34.884 32.500 -0.044 0.000 1.131 275 K HN 0.291 nan 8.250 nan 0.000 0.431 276 V N 2.165 122.055 119.914 -0.041 0.000 3.392 276 V HA 0.069 4.190 4.120 0.000 0.000 0.285 276 V C 0.876 176.947 176.094 -0.039 0.000 1.582 276 V CA 0.115 62.390 62.300 -0.041 0.000 1.034 276 V CB 0.174 31.979 31.823 -0.029 0.000 0.846 276 V HN 0.625 nan 8.190 nan 0.000 0.431 277 R N 0.374 120.853 120.500 -0.035 0.000 2.211 277 R HA -0.197 4.143 4.340 0.000 0.000 0.240 277 R C 1.842 178.122 176.300 -0.034 0.000 1.144 277 R CA 1.772 57.853 56.100 -0.030 0.000 0.992 277 R CB -0.466 29.817 30.300 -0.028 0.000 0.869 277 R HN 0.560 nan 8.270 nan 0.000 0.462 278 Q N 0.131 119.906 119.800 -0.042 0.000 2.212 278 Q HA 0.106 4.446 4.340 0.000 0.000 0.199 278 Q C 1.898 177.865 176.000 -0.055 0.000 0.950 278 Q CA 0.725 56.501 55.803 -0.045 0.000 0.863 278 Q CB 0.125 28.833 28.738 -0.049 0.000 0.944 278 Q HN 0.264 nan 8.270 nan 0.000 0.465 279 L N -0.426 120.758 121.223 -0.064 0.000 2.418 279 L HA 0.030 4.371 4.340 0.000 0.000 0.218 279 L C 2.208 179.044 176.870 -0.056 0.000 1.125 279 L CA 0.686 55.478 54.840 -0.080 0.000 0.835 279 L CB -0.172 41.826 42.059 -0.102 0.000 0.953 279 L HN 0.193 nan 8.230 nan 0.000 0.454 280 S N 0.202 115.878 115.700 -0.039 0.000 2.355 280 S HA -0.178 4.292 4.470 0.000 0.000 0.222 280 S C 1.979 176.567 174.600 -0.020 0.000 1.031 280 S CA 1.203 59.389 58.200 -0.025 0.000 0.993 280 S CB 0.019 63.208 63.200 -0.019 0.000 0.859 280 S HN 0.286 nan 8.310 nan 0.000 0.453 281 K N 0.281 120.668 120.400 -0.022 0.000 2.293 281 K HA -0.118 4.202 4.320 0.000 0.000 0.204 281 K C 1.787 178.378 176.600 -0.015 0.000 1.045 281 K CA 1.104 57.381 56.287 -0.017 0.000 0.933 281 K CB -0.327 32.161 32.500 -0.019 0.000 0.736 281 K HN 0.303 nan 8.250 nan 0.000 0.463 282 L N 0.396 121.606 121.223 -0.021 0.000 2.083 282 L HA -0.168 4.172 4.340 0.000 0.000 0.209 282 L C 1.949 178.817 176.870 -0.005 0.000 1.083 282 L CA 1.453 56.283 54.840 -0.017 0.000 0.752 282 L CB -0.222 41.818 42.059 -0.031 0.000 0.899 282 L HN 0.154 nan 8.230 nan 0.000 0.433 283 L N -1.272 119.949 121.223 -0.003 0.000 2.418 283 L HA 0.010 4.350 4.340 0.000 0.000 0.218 283 L C 0.844 177.718 176.870 0.005 0.000 1.125 283 L CA -0.162 54.681 54.840 0.005 0.000 0.835 283 L CB -0.267 41.797 42.059 0.008 0.000 0.953 283 L HN 0.103 nan 8.230 nan 0.000 0.454 284 R N 1.473 121.973 120.500 0.001 0.000 2.481 284 R HA 0.167 4.507 4.340 0.000 0.000 0.291 284 R C 0.475 176.778 176.300 0.004 0.000 0.934 284 R CA 0.852 56.953 56.100 0.001 0.000 1.116 284 R CB -0.505 29.794 30.300 -0.002 0.000 0.895 284 R HN 0.298 nan 8.270 nan 0.000 0.410 285 G N 2.112 110.915 108.800 0.005 0.000 3.409 285 G HA2 -0.223 3.738 3.960 0.000 0.000 0.686 285 G HA3 -0.223 3.738 3.960 0.000 0.000 0.686 285 G C 0.044 174.948 174.900 0.008 0.000 1.017 285 G CA -0.471 44.632 45.100 0.006 0.000 0.854 285 G HN 0.809 nan 8.290 nan 0.000 0.508 286 T N 0.142 114.701 114.554 0.008 0.000 2.656 286 T HA 0.310 4.660 4.350 0.000 0.000 0.258 286 T C 0.622 175.328 174.700 0.010 0.000 1.020 286 T CA 1.133 63.238 62.100 0.009 0.000 1.191 286 T CB 0.647 69.520 68.868 0.008 0.000 1.004 286 T HN 0.793 nan 8.240 nan 0.000 0.498 287 K N 2.053 122.460 120.400 0.012 0.000 2.149 287 K HA 0.781 5.101 4.320 0.000 0.000 0.241 287 K C -0.383 176.225 176.600 0.013 0.000 1.083 287 K CA -1.223 55.072 56.287 0.013 0.000 0.885 287 K CB 1.664 34.174 32.500 0.016 0.000 1.374 287 K HN 0.700 nan 8.250 nan 0.000 0.511 288 A N 0.813 123.642 122.820 0.014 0.000 2.324 288 A HA 0.340 4.660 4.320 0.000 0.000 0.330 288 A C 0.605 178.200 177.584 0.017 0.000 1.165 288 A CA -0.414 51.631 52.037 0.014 0.000 0.813 288 A CB 0.541 19.548 19.000 0.011 0.000 1.197 288 A HN 0.554 nan 8.150 nan 0.000 0.484 289 L N 1.824 123.056 121.223 0.015 0.000 2.012 289 L HA -0.155 4.185 4.340 0.000 0.000 0.210 289 L C 2.852 179.733 176.870 0.019 0.000 1.073 289 L CA 2.933 57.784 54.840 0.018 0.000 0.748 289 L CB -0.836 41.230 42.059 0.013 0.000 0.891 289 L HN 0.904 nan 8.230 nan 0.000 0.431 290 T N -3.303 111.259 114.554 0.012 0.000 3.118 290 T HA -0.096 4.254 4.350 0.000 0.000 0.260 290 T C 0.862 175.570 174.700 0.014 0.000 1.139 290 T CA -0.147 61.958 62.100 0.009 0.000 1.085 290 T CB -0.568 68.301 68.868 0.002 0.000 0.934 290 T HN 0.339 nan 8.240 nan 0.000 0.518 291 E N 1.973 122.184 120.200 0.019 0.000 2.406 291 E HA 0.183 4.533 4.350 0.000 0.000 0.258 291 E C -0.505 176.116 176.600 0.035 0.000 1.043 291 E CA -0.387 56.027 56.400 0.023 0.000 0.929 291 E CB 0.428 30.141 29.700 0.023 0.000 0.969 291 E HN 0.166 nan 8.360 nan 0.000 0.462 292 V N 6.288 126.222 119.914 0.032 0.000 2.811 292 V HA 0.129 4.249 4.120 0.000 0.000 0.302 292 V C 0.594 176.725 176.094 0.061 0.000 1.063 292 V CA 0.224 62.552 62.300 0.047 0.000 1.088 292 V CB 0.774 32.615 31.823 0.030 0.000 0.982 292 V HN 0.578 nan 8.190 nan 0.000 0.485 293 I N 5.388 126.015 120.570 0.096 0.000 2.498 293 I HA 0.388 4.558 4.170 0.000 0.000 0.290 293 I C -2.245 173.937 176.117 0.108 0.000 1.032 293 I CA -1.961 59.392 61.300 0.088 0.000 1.073 293 I CB 2.505 40.555 38.000 0.083 0.000 1.251 293 I HN 0.493 nan 8.210 nan 0.000 0.426 294 P HA -0.001 nan 4.420 nan 0.000 0.268 294 P C -0.548 176.795 177.300 0.072 0.000 1.204 294 P CA -0.424 62.719 63.100 0.073 0.000 0.768 294 P CB 1.171 32.898 31.700 0.044 0.000 0.842 295 L N 3.918 125.199 121.223 0.097 0.000 2.448 295 L HA 0.112 4.452 4.340 0.000 0.000 0.278 295 L C 0.990 177.866 176.870 0.010 0.000 1.201 295 L CA 0.383 55.257 54.840 0.057 0.000 1.036 295 L CB -1.224 40.914 42.059 0.131 0.000 1.325 295 L HN 0.470 nan 8.230 nan 0.000 0.441 296 T N 1.345 115.889 114.554 -0.017 0.000 2.795 296 T HA 0.006 4.357 4.350 0.000 0.000 0.314 296 T C 1.200 175.882 174.700 -0.031 0.000 1.069 296 T CA -0.157 61.931 62.100 -0.020 0.000 1.071 296 T CB 0.640 69.493 68.868 -0.026 0.000 0.988 296 T HN 0.644 nan 8.240 nan 0.000 0.543 297 E N 1.879 122.066 120.200 -0.022 0.000 2.216 297 E HA -0.014 4.336 4.350 0.000 0.000 0.192 297 E C 2.047 178.626 176.600 -0.034 0.000 0.988 297 E CA 0.752 57.138 56.400 -0.024 0.000 0.834 297 E CB -0.101 29.590 29.700 -0.015 0.000 0.772 297 E HN 0.705 nan 8.360 nan 0.000 0.479 298 E N 0.908 121.087 120.200 -0.035 0.000 2.153 298 E HA -0.099 4.251 4.350 0.000 0.000 0.194 298 E C 1.770 178.338 176.600 -0.054 0.000 0.988 298 E CA 1.208 57.585 56.400 -0.039 0.000 0.811 298 E CB -0.123 29.556 29.700 -0.035 0.000 0.746 298 E HN 0.248 nan 8.360 nan 0.000 0.466 299 A N 0.682 123.461 122.820 -0.068 0.000 1.850 299 A HA -0.100 4.220 4.320 0.000 0.000 0.212 299 A C 1.947 179.468 177.584 -0.104 0.000 1.208 299 A CA 0.867 52.844 52.037 -0.100 0.000 0.609 299 A CB -0.364 18.555 19.000 -0.134 0.000 0.860 299 A HN 0.053 nan 8.150 nan 0.000 0.448 300 E N -0.294 119.852 120.200 -0.091 0.000 2.136 300 E HA -0.270 4.081 4.350 0.000 0.000 0.202 300 E C 1.918 178.484 176.600 -0.057 0.000 1.019 300 E CA 1.684 58.042 56.400 -0.071 0.000 0.819 300 E CB -0.509 29.169 29.700 -0.037 0.000 0.739 300 E HN 0.507 nan 8.360 nan 0.000 0.458 301 L N 1.245 122.439 121.223 -0.050 0.000 1.973 301 L HA -0.147 4.193 4.340 0.000 0.000 0.208 301 L C 2.293 179.132 176.870 -0.052 0.000 1.073 301 L CA 2.060 56.874 54.840 -0.042 0.000 0.746 301 L CB -0.479 41.558 42.059 -0.036 0.000 0.891 301 L HN 0.017 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 -0.224 4.127 4.350 0.000 0.000 0.194 302 E C 2.294 178.848 176.600 -0.078 0.000 0.989 302 E CA 0.987 57.348 56.400 -0.065 0.000 0.824 302 E CB -0.148 29.513 29.700 -0.065 0.000 0.756 302 E HN 0.594 nan 8.360 nan 0.000 0.477 303 L N 0.086 121.252 121.223 -0.095 0.000 1.994 303 L HA -0.164 4.176 4.340 0.000 0.000 0.208 303 L C 2.371 179.195 176.870 -0.077 0.000 1.071 303 L CA 1.555 56.327 54.840 -0.112 0.000 0.745 303 L CB -0.292 41.669 42.059 -0.164 0.000 0.892 303 L HN 0.155 nan 8.230 nan 0.000 0.431 304 A N -0.727 122.058 122.820 -0.059 0.000 1.930 304 A HA -0.270 4.051 4.320 0.000 0.000 0.217 304 A C 2.137 179.693 177.584 -0.047 0.000 1.175 304 A CA 1.691 53.705 52.037 -0.039 0.000 0.627 304 A CB -0.626 18.358 19.000 -0.026 0.000 0.815 304 A HN 0.596 nan 8.150 nan 0.000 0.443 305 E N 0.006 120.175 120.200 -0.053 0.000 2.097 305 E HA -0.235 4.115 4.350 0.000 0.000 0.196 305 E C 1.595 178.152 176.600 -0.072 0.000 1.000 305 E CA 1.525 57.891 56.400 -0.056 0.000 0.804 305 E CB -0.081 29.587 29.700 -0.054 0.000 0.740 305 E HN 0.605 nan 8.360 nan 0.000 0.454 306 N N 0.103 118.756 118.700 -0.078 0.000 2.300 306 N HA -0.101 4.639 4.740 0.000 0.000 0.179 306 N C 1.717 177.163 175.510 -0.107 0.000 1.016 306 N CA 0.504 53.495 53.050 -0.098 0.000 0.876 306 N CB -0.263 38.172 38.487 -0.086 0.000 0.979 306 N HN 0.135 nan 8.380 nan 0.000 0.432 307 R N 1.241 121.697 120.500 -0.073 0.000 2.200 307 R HA -0.072 4.269 4.340 0.000 0.000 0.234 307 R C 1.115 177.377 176.300 -0.063 0.000 1.127 307 R CA 1.025 57.093 56.100 -0.054 0.000 0.989 307 R CB 0.254 30.540 30.300 -0.024 0.000 0.869 307 R HN 0.144 nan 8.270 nan 0.000 0.459 308 E N 0.348 120.505 120.200 -0.072 0.000 2.122 308 E HA -0.100 4.251 4.350 0.000 0.000 0.190 308 E C 1.976 178.511 176.600 -0.107 0.000 0.977 308 E CA 0.553 56.913 56.400 -0.067 0.000 0.820 308 E CB 0.028 29.695 29.700 -0.054 0.000 0.770 308 E HN 0.317 nan 8.360 nan 0.000 0.462 309 I N 1.083 121.554 120.570 -0.164 0.000 2.286 309 I HA -0.212 3.959 4.170 0.000 0.000 0.248 309 I C 2.299 178.150 176.117 -0.442 0.000 1.115 309 I CA 1.018 62.157 61.300 -0.268 0.000 1.392 309 I CB -1.104 36.708 38.000 -0.314 0.000 1.065 309 I HN 0.077 nan 8.210 nan 0.000 0.418 310 L N -0.037 120.954 121.223 -0.387 0.000 2.552 310 L HA -0.062 4.279 4.340 0.000 0.000 0.227 310 L C 2.271 179.089 176.870 -0.087 0.000 1.146 310 L CA 0.584 55.220 54.840 -0.341 0.000 0.858 310 L CB -0.437 41.516 42.059 -0.178 0.000 0.969 310 L HN 0.224 nan 8.230 nan 0.000 0.451 311 K N 0.046 120.410 120.400 -0.059 0.000 2.141 311 K HA 0.003 4.323 4.320 0.000 0.000 0.202 311 K C 0.657 177.284 176.600 0.045 0.000 1.045 311 K CA 0.101 56.395 56.287 0.012 0.000 0.971 311 K CB 0.190 32.693 32.500 0.006 0.000 0.795 311 K HN -0.040 nan 8.250 nan 0.000 0.459 312 E N 2.893 123.108 120.200 0.025 0.000 2.366 312 E HA 0.017 4.367 4.350 0.000 0.000 0.266 312 E C -2.383 174.311 176.600 0.156 0.000 1.015 312 E CA -2.051 54.391 56.400 0.070 0.000 0.906 312 E CB 0.398 30.116 29.700 0.030 0.000 0.979 312 E HN 0.028 nan 8.360 nan 0.000 0.443 313 P HA -0.118 nan 4.420 nan 0.000 0.264 313 P C -0.196 177.300 177.300 0.327 0.000 1.183 313 P CA -0.054 63.185 63.100 0.233 0.000 0.763 313 P CB 0.652 32.459 31.700 0.178 0.000 0.807 314 V N 4.977 125.074 119.914 0.306 0.000 2.540 314 V HA -0.067 4.053 4.120 0.000 0.000 0.297 314 V C 0.041 176.286 176.094 0.250 0.000 1.024 314 V CA 0.259 62.702 62.300 0.237 0.000 1.105 314 V CB -0.886 30.897 31.823 -0.066 0.000 0.938 314 V HN 0.459 nan 8.190 nan 0.000 0.482 315 H N 5.023 124.142 119.070 0.082 0.000 2.548 315 H HA 0.605 5.162 4.556 0.000 0.000 0.331 315 H C 0.974 176.338 175.328 0.059 0.000 1.093 315 H CA 0.343 56.433 56.048 0.070 0.000 1.367 315 H CB 1.494 31.295 29.762 0.065 0.000 1.455 315 H HN 1.001 nan 8.280 nan 0.000 0.519 316 G N 1.861 110.733 108.800 0.120 0.000 2.198 316 G HA2 -0.193 3.768 3.960 0.000 0.000 0.156 316 G HA3 -0.193 3.768 3.960 0.000 0.000 0.156 316 G C -0.201 174.858 174.900 0.265 0.000 1.012 316 G CA -0.049 45.144 45.100 0.155 0.000 0.692 316 G HN 0.702 nan 8.290 nan 0.000 0.492 317 V N -0.254 119.765 119.914 0.174 0.000 2.686 317 V HA 0.844 4.964 4.120 0.000 0.000 0.295 317 V C -0.151 176.109 176.094 0.276 0.000 1.055 317 V CA -0.261 62.127 62.300 0.147 0.000 1.050 317 V CB 0.478 32.352 31.823 0.084 0.000 0.984 317 V HN 1.457 nan 8.190 nan 0.000 0.482 318 Y N 2.000 122.341 120.300 0.069 0.000 2.522 318 Y HA 0.599 5.149 4.550 0.000 0.000 0.326 318 Y C -1.457 174.522 175.900 0.132 0.000 1.198 318 Y CA -1.586 56.567 58.100 0.089 0.000 1.112 318 Y CB 0.403 38.884 38.460 0.035 0.000 1.342 318 Y HN 0.778 nan 8.280 nan 0.000 0.460 319 Y N 3.297 123.632 120.300 0.058 0.000 2.320 319 Y HA 0.601 5.151 4.550 0.000 0.000 0.324 319 Y C -0.873 175.050 175.900 0.038 0.000 1.190 319 Y CA -1.018 57.052 58.100 -0.050 0.000 1.215 319 Y CB 1.508 40.035 38.460 0.111 0.000 1.221 319 Y HN 0.822 nan 8.280 nan 0.000 0.486 320 D N 7.926 127.918 120.400 -0.679 0.000 2.358 320 D HA 0.246 4.886 4.640 0.000 0.000 0.253 320 D C -2.164 173.645 176.300 -0.818 0.000 1.288 320 D CA -2.116 51.560 54.000 -0.538 0.000 0.950 320 D CB 1.916 42.629 40.800 -0.146 0.000 1.197 320 D HN 0.376 nan 8.370 nan 0.000 0.550 321 P HA -0.127 nan 4.420 nan 0.000 0.218 321 P C 0.967 178.145 177.300 -0.204 0.000 1.146 321 P CA 0.672 63.478 63.100 -0.489 0.000 0.813 321 P CB 0.389 31.949 31.700 -0.234 0.000 0.778 322 S N -0.916 114.674 115.700 -0.182 0.000 2.607 322 S HA 0.047 4.517 4.470 0.000 0.000 0.224 322 S C 0.790 175.338 174.600 -0.088 0.000 0.969 322 S CA 0.520 58.659 58.200 -0.102 0.000 0.927 322 S CB -0.298 62.854 63.200 -0.081 0.000 0.772 322 S HN 0.299 nan 8.310 nan 0.000 0.533 323 K N 1.403 121.732 120.400 -0.119 0.000 2.316 323 K HA 0.326 4.646 4.320 0.000 0.000 0.251 323 K C -1.254 175.291 176.600 -0.092 0.000 0.934 323 K CA -0.794 55.437 56.287 -0.094 0.000 0.802 323 K CB 1.344 33.785 32.500 -0.098 0.000 1.171 323 K HN -0.095 nan 8.250 nan 0.000 0.426 324 D N 1.552 121.902 120.400 -0.084 0.000 2.414 324 D HA 0.095 4.735 4.640 0.000 0.000 0.242 324 D C -0.872 175.321 176.300 -0.179 0.000 1.129 324 D CA -0.170 53.770 54.000 -0.100 0.000 0.885 324 D CB 0.637 41.385 40.800 -0.086 0.000 1.198 324 D HN 0.112 nan 8.370 nan 0.000 0.437 325 L N 3.748 124.836 121.223 -0.226 0.000 2.350 325 L HA 0.466 4.806 4.340 0.000 0.000 0.275 325 L C -0.501 176.101 176.870 -0.446 0.000 1.099 325 L CA -0.081 54.535 54.840 -0.373 0.000 0.808 325 L CB 0.981 42.790 42.059 -0.415 0.000 1.149 325 L HN 0.413 nan 8.230 nan 0.000 0.442 326 I N 3.636 123.822 120.570 -0.640 0.000 2.499 326 I HA 0.576 4.746 4.170 0.000 0.000 0.288 326 I C -0.576 175.029 176.117 -0.854 0.000 1.048 326 I CA -0.627 60.212 61.300 -0.768 0.000 1.062 326 I CB 1.862 39.285 38.000 -0.963 0.000 1.238 326 I HN 0.660 nan 8.210 nan 0.000 0.426 327 A N 5.909 128.313 122.820 -0.694 0.000 2.342 327 A HA 0.778 5.098 4.320 0.000 0.000 0.323 327 A C -0.751 176.670 177.584 -0.273 0.000 1.125 327 A CA -0.502 51.191 52.037 -0.573 0.000 0.785 327 A CB 1.237 19.650 19.000 -0.978 0.000 1.221 327 A HN 0.743 nan 8.150 nan 0.000 0.463 328 E N 1.210 121.383 120.200 -0.045 0.000 2.238 328 E HA 0.628 4.978 4.350 0.000 0.000 0.267 328 E C -1.334 175.378 176.600 0.187 0.000 0.887 328 E CA -0.457 56.005 56.400 0.103 0.000 0.769 328 E CB 2.431 32.234 29.700 0.172 0.000 1.187 328 E HN 0.599 nan 8.360 nan 0.000 0.416 329 I N 2.037 122.746 120.570 0.233 0.000 2.608 329 I HA 0.248 4.418 4.170 0.000 0.000 0.295 329 I C -0.835 175.464 176.117 0.303 0.000 1.049 329 I CA -0.878 60.609 61.300 0.312 0.000 1.063 329 I CB 2.068 40.273 38.000 0.341 0.000 1.248 329 I HN 0.343 nan 8.210 nan 0.000 0.424 330 Q N 4.395 124.380 119.800 0.308 0.000 2.337 330 Q HA 0.385 4.725 4.340 0.000 0.000 0.266 330 Q C -0.759 175.308 176.000 0.111 0.000 1.023 330 Q CA -0.713 55.218 55.803 0.213 0.000 0.829 330 Q CB 2.477 31.338 28.738 0.206 0.000 1.306 330 Q HN 0.319 nan 8.270 nan 0.000 0.449 331 K N 2.051 122.407 120.400 -0.073 0.000 2.258 331 K HA 0.129 4.450 4.320 0.000 0.000 0.284 331 K C 0.005 176.362 176.600 -0.405 0.000 1.051 331 K CA -0.132 55.841 56.287 -0.524 0.000 0.923 331 K CB 0.709 32.901 32.500 -0.512 0.000 1.046 331 K HN 0.570 nan 8.250 nan 0.000 0.474 332 Q N 2.126 121.630 119.800 -0.493 0.000 2.252 332 Q HA 0.267 4.607 4.340 0.000 0.000 0.195 332 Q C 0.514 176.351 176.000 -0.273 0.000 0.974 332 Q CA 1.045 56.673 55.803 -0.290 0.000 0.846 332 Q CB 0.452 29.073 28.738 -0.196 0.000 0.943 332 Q HN 0.938 nan 8.270 nan 0.000 0.516 333 G N -0.387 108.225 108.800 -0.313 0.000 2.326 333 G HA2 0.008 3.969 3.960 0.000 0.000 0.413 333 G HA3 0.008 3.969 3.960 0.000 0.000 0.413 333 G C -1.245 173.576 174.900 -0.133 0.000 1.444 333 G CA -0.342 44.636 45.100 -0.203 0.000 1.002 333 G HN 0.158 nan 8.290 nan 0.000 0.649 334 Q N -1.277 118.479 119.800 -0.073 0.000 2.481 334 Q HA -0.196 4.144 4.340 0.000 0.000 0.272 334 Q C 1.617 177.616 176.000 -0.001 0.000 1.157 334 Q CA 2.100 57.886 55.803 -0.030 0.000 0.935 334 Q CB -1.560 27.159 28.738 -0.032 0.000 1.338 334 Q HN 2.873 nan 8.270 nan 0.000 0.494 335 G N -0.782 108.030 108.800 0.020 0.000 2.184 335 G HA2 -0.355 3.605 3.960 0.000 0.000 0.264 335 G HA3 -0.355 3.605 3.960 0.000 0.000 0.264 335 G C 0.087 175.108 174.900 0.203 0.000 0.975 335 G CA 0.720 45.918 45.100 0.163 0.000 0.642 335 G HN 0.430 nan 8.290 nan 0.000 0.536 336 Q N -1.157 118.637 119.800 -0.009 0.000 2.299 336 Q HA 0.575 4.915 4.340 0.000 0.000 0.246 336 Q C -0.515 175.394 176.000 -0.152 0.000 0.935 336 Q CA -0.169 55.663 55.803 0.049 0.000 0.887 336 Q CB 0.844 29.580 28.738 -0.004 0.000 1.223 336 Q HN 0.411 nan 8.270 nan 0.000 0.439 337 W N -0.032 121.376 121.300 0.181 0.000 3.107 337 W HA 0.430 5.090 4.660 0.000 0.000 0.331 337 W C -0.651 176.001 176.519 0.220 0.000 1.204 337 W CA -0.550 56.923 57.345 0.212 0.000 1.184 337 W CB 1.675 31.303 29.460 0.281 0.000 1.421 337 W HN 0.567 nan 8.180 nan 0.000 0.544 338 T N -0.608 114.180 114.554 0.390 0.000 2.900 338 T HA 0.830 5.180 4.350 0.000 0.000 0.295 338 T C -1.277 173.598 174.700 0.291 0.000 1.044 338 T CA -0.700 61.549 62.100 0.248 0.000 0.995 338 T CB 1.887 70.840 68.868 0.142 0.000 1.072 338 T HN 0.532 nan 8.240 nan 0.000 0.473 339 Y N -0.358 119.979 120.300 0.062 0.000 2.644 339 Y HA 0.855 5.406 4.550 0.000 0.000 0.338 339 Y C -1.455 174.375 175.900 -0.116 0.000 1.119 339 Y CA -1.427 56.677 58.100 0.008 0.000 1.060 339 Y CB 1.601 40.099 38.460 0.063 0.000 1.294 339 Y HN 0.653 nan 8.280 nan 0.000 0.472 340 Q N 1.846 121.710 119.800 0.107 0.000 2.281 340 Q HA 0.575 4.916 4.340 0.000 0.000 0.263 340 Q C -1.620 174.428 176.000 0.080 0.000 0.989 340 Q CA -0.402 55.411 55.803 0.017 0.000 0.852 340 Q CB 2.907 31.590 28.738 -0.093 0.000 1.337 340 Q HN 0.733 nan 8.270 nan 0.000 0.418 341 I N 3.680 124.278 120.570 0.048 0.000 2.377 341 I HA 0.644 4.814 4.170 0.000 0.000 0.293 341 I C -0.824 175.201 176.117 -0.153 0.000 0.987 341 I CA -1.106 60.096 61.300 -0.164 0.000 1.185 341 I CB 0.594 38.507 38.000 -0.146 0.000 1.341 341 I HN 0.663 nan 8.210 nan 0.000 0.455 342 Y N 3.049 123.190 120.300 -0.265 0.000 2.689 342 Y HA 0.431 4.982 4.550 0.000 0.000 0.333 342 Y C -0.297 175.435 175.900 -0.281 0.000 1.208 342 Y CA -0.990 56.951 58.100 -0.265 0.000 1.055 342 Y CB 1.052 39.388 38.460 -0.207 0.000 1.304 342 Y HN 0.458 nan 8.280 nan 0.000 0.455 343 Q N 0.089 119.869 119.800 -0.033 0.000 2.431 343 Q HA 0.189 4.529 4.340 0.000 0.000 0.244 343 Q C -0.707 175.348 176.000 0.093 0.000 0.880 343 Q CA 0.418 56.164 55.803 -0.093 0.000 0.954 343 Q CB 1.056 29.676 28.738 -0.196 0.000 1.105 343 Q HN 0.736 nan 8.270 nan 0.000 0.558 344 E N 1.383 121.670 120.200 0.144 0.000 2.314 344 E HA 0.332 4.682 4.350 0.000 0.000 0.272 344 E C -2.847 173.673 176.600 -0.134 0.000 0.884 344 E CA -2.601 53.834 56.400 0.058 0.000 0.753 344 E CB 1.626 31.341 29.700 0.025 0.000 1.213 344 E HN -0.195 nan 8.360 nan 0.000 0.432 345 P HA -0.099 nan 4.420 nan 0.000 0.260 345 P C -0.258 176.756 177.300 -0.476 0.000 1.172 345 P CA 0.399 63.081 63.100 -0.696 0.000 0.760 345 P CB -0.163 31.260 31.700 -0.462 0.000 0.773 346 F N 0.301 120.014 119.950 -0.395 0.000 2.884 346 F HA -0.195 4.332 4.527 0.000 0.000 0.294 346 F C 0.625 176.276 175.800 -0.248 0.000 0.723 346 F CA 1.033 58.842 58.000 -0.318 0.000 1.294 346 F CB -2.362 36.450 39.000 -0.313 0.000 1.551 346 F HN 0.330 nan 8.300 nan 0.000 0.363 347 K N 0.711 121.034 120.400 -0.128 0.000 3.163 347 K HA 0.325 4.645 4.320 0.000 0.000 0.186 347 K C -0.194 176.366 176.600 -0.067 0.000 1.111 347 K CA -0.375 55.868 56.287 -0.073 0.000 0.918 347 K CB 0.163 32.633 32.500 -0.050 0.000 1.059 347 K HN 0.008 nan 8.250 nan 0.000 0.558 348 N N 1.073 119.745 118.700 -0.047 0.000 2.407 348 N HA -0.004 4.736 4.740 0.000 0.000 0.250 348 N C 0.814 176.341 175.510 0.029 0.000 1.236 348 N CA 0.289 53.353 53.050 0.024 0.000 0.879 348 N CB 0.733 39.251 38.487 0.051 0.000 1.088 348 N HN 0.238 nan 8.380 nan 0.000 0.450 349 L N 0.492 121.740 121.223 0.042 0.000 2.221 349 L HA 0.193 4.533 4.340 0.000 0.000 0.202 349 L C 0.983 177.963 176.870 0.183 0.000 1.074 349 L CA 0.676 55.573 54.840 0.094 0.000 0.795 349 L CB 0.067 42.130 42.059 0.006 0.000 0.960 349 L HN 0.507 nan 8.230 nan 0.000 0.458 350 K N 0.070 120.570 120.400 0.167 0.000 2.568 350 K HA 0.371 4.691 4.320 0.000 0.000 0.273 350 K C -1.529 175.116 176.600 0.076 0.000 0.951 350 K CA -0.430 55.955 56.287 0.164 0.000 0.854 350 K CB 2.305 34.975 32.500 0.284 0.000 1.424 350 K HN -0.046 nan 8.250 nan 0.000 0.427 351 T N -0.344 114.196 114.554 -0.023 0.000 2.991 351 T HA 0.695 5.045 4.350 0.000 0.000 0.303 351 T C -0.175 174.288 174.700 -0.395 0.000 1.015 351 T CA -0.653 61.309 62.100 -0.230 0.000 1.007 351 T CB 1.595 70.368 68.868 -0.157 0.000 1.034 351 T HN 0.655 nan 8.240 nan 0.000 0.446 352 G N 1.000 109.173 108.800 -1.045 0.000 3.140 352 G HA2 0.751 4.711 3.960 0.000 0.000 0.271 352 G HA3 0.751 4.711 3.960 0.000 0.000 0.271 352 G C -1.518 172.988 174.900 -0.656 0.000 1.370 352 G CA -1.160 43.413 45.100 -0.878 0.000 1.014 352 G HN 0.839 nan 8.290 nan 0.000 0.541 353 K N -0.129 120.170 120.400 -0.169 0.000 2.716 353 K HA 0.255 4.575 4.320 0.000 0.000 0.249 353 K C -1.965 174.792 176.600 0.261 0.000 1.004 353 K CA -0.694 55.642 56.287 0.083 0.000 0.968 353 K CB 1.443 33.978 32.500 0.059 0.000 1.214 353 K HN 0.511 nan 8.250 nan 0.000 0.476 354 Y N 3.616 124.107 120.300 0.317 0.000 2.480 354 Y HA 0.360 4.911 4.550 0.000 0.000 0.341 354 Y C -0.011 176.044 175.900 0.258 0.000 1.031 354 Y CA -0.047 58.216 58.100 0.273 0.000 1.295 354 Y CB 0.560 39.170 38.460 0.250 0.000 1.162 354 Y HN 0.656 nan 8.280 nan 0.000 0.523 355 A N 6.658 129.261 122.820 -0.360 0.000 2.267 355 A HA 0.338 4.658 4.320 0.000 0.000 0.271 355 A C 0.182 177.567 177.584 -0.331 0.000 1.131 355 A CA -0.772 51.125 52.037 -0.234 0.000 0.818 355 A CB 0.199 19.101 19.000 -0.164 0.000 1.118 355 A HN 0.796 nan 8.150 nan 0.000 0.501 356 R N 0.793 121.233 120.500 -0.101 0.000 2.614 356 R HA -0.069 4.271 4.340 0.000 0.000 0.335 356 R C -0.199 176.012 176.300 -0.148 0.000 0.859 356 R CA 0.337 56.402 56.100 -0.058 0.000 1.123 356 R CB -0.399 29.894 30.300 -0.012 0.000 0.887 356 R HN 0.677 nan 8.270 nan 0.000 0.407 357 M N 5.574 125.097 119.600 -0.129 0.000 2.227 357 M HA 0.029 4.509 4.480 0.000 0.000 0.349 357 M C 0.002 176.288 176.300 -0.025 0.000 1.443 357 M CA 0.141 55.402 55.300 -0.065 0.000 1.110 357 M CB 0.192 32.844 32.600 0.088 0.000 1.773 357 M HN 0.322 nan 8.290 nan 0.000 0.463 358 R N 3.504 123.989 120.500 -0.026 0.000 2.459 358 R HA 0.335 4.675 4.340 0.000 0.000 0.301 358 R C 1.002 177.288 176.300 -0.023 0.000 1.286 358 R CA 0.521 56.610 56.100 -0.017 0.000 1.046 358 R CB -0.449 29.845 30.300 -0.011 0.000 1.071 358 R HN 1.037 nan 8.270 nan 0.000 0.512 359 G N 0.979 109.753 108.800 -0.043 0.000 2.813 359 G HA2 -0.168 3.793 3.960 0.000 0.000 0.194 359 G HA3 -0.168 3.793 3.960 0.000 0.000 0.194 359 G C 0.142 174.931 174.900 -0.186 0.000 1.010 359 G CA -0.248 44.800 45.100 -0.087 0.000 0.771 359 G HN 0.716 nan 8.290 nan 0.000 0.485 360 A N 1.684 124.422 122.820 -0.135 0.000 2.388 360 A HA 0.643 4.964 4.320 0.000 0.000 0.257 360 A C 0.522 178.011 177.584 -0.157 0.000 1.095 360 A CA -0.271 51.657 52.037 -0.181 0.000 0.791 360 A CB 0.093 19.064 19.000 -0.049 0.000 1.029 360 A HN 0.392 nan 8.150 nan 0.000 0.489 361 H N 0.741 119.785 119.070 -0.043 0.000 2.639 361 H HA 0.176 4.732 4.556 0.000 0.000 0.373 361 H C 0.860 176.177 175.328 -0.020 0.000 1.372 361 H CA 0.889 56.917 56.048 -0.034 0.000 1.448 361 H CB 0.322 30.052 29.762 -0.053 0.000 1.544 361 H HN 0.682 nan 8.280 nan 0.000 0.615 362 T N -0.301 114.336 114.554 0.138 0.000 4.104 362 T HA 0.038 4.388 4.350 0.000 0.000 0.285 362 T C 0.383 175.118 174.700 0.058 0.000 1.346 362 T CA -0.705 61.446 62.100 0.084 0.000 1.158 362 T CB -0.915 67.987 68.868 0.056 0.000 1.290 362 T HN 0.376 nan 8.240 nan 0.000 0.975 363 N N 2.003 120.737 118.700 0.056 0.000 2.716 363 N HA 0.127 4.867 4.740 0.000 0.000 0.253 363 N C 0.274 175.821 175.510 0.061 0.000 1.170 363 N CA -0.401 52.655 53.050 0.009 0.000 0.807 363 N CB 1.192 39.630 38.487 -0.081 0.000 1.183 363 N HN 0.278 nan 8.380 nan 0.000 0.524 364 D N 1.281 121.770 120.400 0.148 0.000 2.170 364 D HA -0.173 4.468 4.640 0.000 0.000 0.193 364 D C 1.631 178.079 176.300 0.247 0.000 1.004 364 D CA 1.405 55.591 54.000 0.310 0.000 0.860 364 D CB 0.522 41.510 40.800 0.312 0.000 0.931 364 D HN 0.312 nan 8.370 nan 0.000 0.448 365 V N 0.850 120.874 119.914 0.183 0.000 2.379 365 V HA -0.203 3.917 4.120 0.000 0.000 0.245 365 V C 2.497 178.678 176.094 0.145 0.000 1.044 365 V CA 1.505 63.957 62.300 0.253 0.000 1.036 365 V CB -0.407 31.629 31.823 0.354 0.000 0.664 365 V HN 0.144 nan 8.190 nan 0.000 0.453 366 K N -0.224 120.084 120.400 -0.152 0.000 2.103 366 K HA -0.251 4.069 4.320 0.000 0.000 0.207 366 K C 2.235 178.681 176.600 -0.257 0.000 1.048 366 K CA 1.741 57.664 56.287 -0.606 0.000 0.930 366 K CB -0.092 31.775 32.500 -1.055 0.000 0.716 366 K HN 0.508 nan 8.250 nan 0.000 0.444 367 Q N 0.531 120.232 119.800 -0.166 0.000 2.016 367 Q HA -0.137 4.203 4.340 0.000 0.000 0.200 367 Q C 2.238 177.918 176.000 -0.534 0.000 0.978 367 Q CA 1.618 57.295 55.803 -0.210 0.000 0.833 367 Q CB -0.130 28.616 28.738 0.014 0.000 0.895 367 Q HN 0.368 nan 8.270 nan 0.000 0.427 368 L N 0.408 121.248 121.223 -0.639 0.000 2.042 368 L HA -0.232 4.109 4.340 0.000 0.000 0.210 368 L C 2.091 178.812 176.870 -0.248 0.000 1.076 368 L CA 1.503 55.905 54.840 -0.730 0.000 0.749 368 L CB -0.411 41.408 42.059 -0.400 0.000 0.893 368 L HN 0.294 nan 8.230 nan 0.000 0.432 369 T N -0.422 114.182 114.554 0.085 0.000 2.699 369 T HA -0.242 4.108 4.350 0.000 0.000 0.268 369 T C 1.611 176.336 174.700 0.041 0.000 1.036 369 T CA 1.916 64.206 62.100 0.317 0.000 1.147 369 T CB -0.281 68.828 68.868 0.401 0.000 0.862 369 T HN 0.501 nan 8.240 nan 0.000 0.446 370 E N 1.014 121.116 120.200 -0.164 0.000 2.051 370 E HA -0.050 4.300 4.350 0.000 0.000 0.192 370 E C 2.669 178.973 176.600 -0.493 0.000 0.991 370 E CA 0.938 57.163 56.400 -0.291 0.000 0.799 370 E CB -0.289 29.245 29.700 -0.276 0.000 0.748 370 E HN 0.484 nan 8.360 nan 0.000 0.449 371 A N 1.172 123.548 122.820 -0.740 0.000 1.873 371 A HA -0.212 4.109 4.320 0.000 0.000 0.218 371 A C 2.554 179.876 177.584 -0.437 0.000 1.193 371 A CA 1.619 53.173 52.037 -0.805 0.000 0.629 371 A CB -1.041 17.514 19.000 -0.741 0.000 0.826 371 A HN 0.141 nan 8.150 nan 0.000 0.447 372 V N 0.156 119.866 119.914 -0.340 0.000 2.278 372 V HA -0.405 3.715 4.120 0.000 0.000 0.251 372 V C 2.727 178.730 176.094 -0.151 0.000 1.062 372 V CA 2.599 64.668 62.300 -0.385 0.000 1.038 372 V CB -0.950 30.666 31.823 -0.345 0.000 0.646 372 V HN 0.716 nan 8.190 nan 0.000 0.447 373 Q N -0.844 118.897 119.800 -0.099 0.000 2.124 373 Q HA -0.189 4.151 4.340 0.000 0.000 0.202 373 Q C 2.366 178.398 176.000 0.053 0.000 0.977 373 Q CA 1.104 56.917 55.803 0.018 0.000 0.850 373 Q CB -0.215 28.358 28.738 -0.274 0.000 0.901 373 Q HN 0.545 nan 8.270 nan 0.000 0.429 374 K N 0.802 121.128 120.400 -0.124 0.000 1.985 374 K HA -0.122 4.198 4.320 0.000 0.000 0.210 374 K C 2.160 178.645 176.600 -0.191 0.000 1.047 374 K CA 1.052 57.245 56.287 -0.157 0.000 0.932 374 K CB -0.428 31.923 32.500 -0.249 0.000 0.716 374 K HN 0.230 nan 8.250 nan 0.000 0.439 375 I N 1.561 121.989 120.570 -0.238 0.000 2.145 375 I HA -0.260 3.910 4.170 0.000 0.000 0.244 375 I C 2.214 178.297 176.117 -0.057 0.000 1.075 375 I CA 1.692 62.857 61.300 -0.225 0.000 1.332 375 I CB -2.111 35.859 38.000 -0.050 0.000 1.033 375 I HN 0.140 nan 8.210 nan 0.000 0.410 376 T N 0.634 115.241 114.554 0.089 0.000 2.759 376 T HA -0.145 4.205 4.350 0.000 0.000 0.269 376 T C 1.944 176.494 174.700 -0.250 0.000 1.042 376 T CA 2.004 64.043 62.100 -0.103 0.000 1.140 376 T CB -0.388 68.313 68.868 -0.279 0.000 0.864 376 T HN 0.401 nan 8.240 nan 0.000 0.455 377 T N 2.126 116.656 114.554 -0.041 0.000 2.668 377 T HA -0.072 4.278 4.350 0.000 0.000 0.262 377 T C 2.003 176.676 174.700 -0.044 0.000 1.045 377 T CA 1.135 63.285 62.100 0.084 0.000 1.152 377 T CB -0.283 68.726 68.868 0.235 0.000 0.864 377 T HN 0.545 nan 8.240 nan 0.000 0.419 378 E N 1.223 121.302 120.200 -0.202 0.000 2.114 378 E HA -0.179 4.171 4.350 0.000 0.000 0.199 378 E C 2.416 178.912 176.600 -0.172 0.000 1.008 378 E CA 1.384 57.565 56.400 -0.366 0.000 0.810 378 E CB -0.367 28.908 29.700 -0.709 0.000 0.739 378 E HN 0.330 nan 8.360 nan 0.000 0.456 379 S N 0.550 116.178 115.700 -0.120 0.000 2.383 379 S HA -0.141 4.329 4.470 0.000 0.000 0.229 379 S C 1.984 176.501 174.600 -0.139 0.000 1.030 379 S CA 0.795 59.008 58.200 0.021 0.000 1.002 379 S CB -0.181 63.001 63.200 -0.030 0.000 0.829 379 S HN 0.200 nan 8.310 nan 0.000 0.467 380 I N 0.683 121.065 120.570 -0.314 0.000 2.286 380 I HA -0.101 4.069 4.170 0.000 0.000 0.245 380 I C 2.216 178.050 176.117 -0.471 0.000 1.104 380 I CA 0.846 61.830 61.300 -0.527 0.000 1.397 380 I CB -0.362 37.239 38.000 -0.664 0.000 1.072 380 I HN 0.189 nan 8.210 nan 0.000 0.417 381 V N 1.332 121.064 119.914 -0.303 0.000 2.343 381 V HA -0.242 3.879 4.120 0.000 0.000 0.247 381 V C 2.327 178.265 176.094 -0.260 0.000 1.051 381 V CA 1.434 63.609 62.300 -0.209 0.000 1.036 381 V CB -0.425 31.422 31.823 0.040 0.000 0.654 381 V HN 0.297 nan 8.190 nan 0.000 0.451 382 I N -1.605 118.684 120.570 -0.469 0.000 2.333 382 I HA -0.113 4.057 4.170 0.000 0.000 0.246 382 I C 1.848 177.343 176.117 -1.036 0.000 1.106 382 I CA 1.695 62.434 61.300 -0.935 0.000 1.411 382 I CB -0.762 36.091 38.000 -1.912 0.000 1.082 382 I HN 0.466 nan 8.210 nan 0.000 0.420 383 W N 0.396 121.412 121.300 -0.472 0.000 2.324 383 W HA 0.404 5.064 4.660 0.000 0.000 0.316 383 W C 1.109 177.039 176.519 -0.982 0.000 0.927 383 W CA 0.190 57.094 57.345 -0.735 0.000 1.438 383 W CB -0.324 28.549 29.460 -0.978 0.000 1.085 383 W HN 0.307 nan 8.180 nan 0.000 0.532 384 G N 3.001 111.203 108.800 -0.996 0.000 2.356 384 G HA2 -0.329 3.631 3.960 0.000 0.000 0.296 384 G HA3 -0.329 3.631 3.960 0.000 0.000 0.296 384 G C -0.064 174.621 174.900 -0.358 0.000 1.022 384 G CA 1.296 45.897 45.100 -0.832 0.000 0.961 384 G HN 0.274 nan 8.290 nan 0.000 0.510 385 K N -0.714 119.492 120.400 -0.323 0.000 2.542 385 K HA 0.547 4.867 4.320 0.000 0.000 0.259 385 K C -0.338 176.127 176.600 -0.225 0.000 0.932 385 K CA -0.656 55.543 56.287 -0.146 0.000 0.820 385 K CB 1.315 33.809 32.500 -0.010 0.000 1.345 385 K HN 0.033 nan 8.250 nan 0.000 0.432 386 T N 4.262 118.716 114.554 -0.167 0.000 2.909 386 T HA 0.424 4.774 4.350 0.000 0.000 0.286 386 T C -2.410 172.198 174.700 -0.154 0.000 1.002 386 T CA -1.160 60.825 62.100 -0.191 0.000 1.074 386 T CB 1.277 70.069 68.868 -0.128 0.000 0.984 386 T HN 0.455 nan 8.240 nan 0.000 0.495 387 P HA 0.357 nan 4.420 nan 0.000 0.280 387 P C -1.188 175.973 177.300 -0.232 0.000 1.272 387 P CA -0.815 62.087 63.100 -0.330 0.000 0.819 387 P CB 1.040 32.393 31.700 -0.578 0.000 1.122 388 K N 1.307 121.536 120.400 -0.285 0.000 2.293 388 K HA 0.366 4.686 4.320 0.000 0.000 0.267 388 K C -1.053 175.443 176.600 -0.172 0.000 1.010 388 K CA -0.557 55.651 56.287 -0.130 0.000 0.875 388 K CB 0.215 32.635 32.500 -0.132 0.000 1.106 388 K HN 0.193 nan 8.250 nan 0.000 0.450 389 F N 2.667 122.567 119.950 -0.084 0.000 2.375 389 F HA 0.272 4.799 4.527 0.000 0.000 0.333 389 F C 0.701 176.428 175.800 -0.122 0.000 1.104 389 F CA -0.244 57.701 58.000 -0.092 0.000 1.149 389 F CB 1.150 40.114 39.000 -0.061 0.000 1.190 389 F HN 0.293 nan 8.300 nan 0.000 0.533 390 K N 4.445 124.893 120.400 0.079 0.000 2.432 390 K HA 0.362 4.682 4.320 0.000 0.000 0.226 390 K C -1.002 175.624 176.600 0.042 0.000 1.057 390 K CA -0.251 56.050 56.287 0.023 0.000 1.034 390 K CB 0.496 33.017 32.500 0.034 0.000 1.561 390 K HN 0.475 nan 8.250 nan 0.000 0.492 391 L N 4.188 125.371 121.223 -0.066 0.000 2.367 391 L HA 0.192 4.532 4.340 0.000 0.000 0.275 391 L C -1.632 175.246 176.870 0.013 0.000 1.129 391 L CA -1.626 53.140 54.840 -0.123 0.000 0.839 391 L CB 0.291 42.052 42.059 -0.497 0.000 1.133 391 L HN 0.283 nan 8.230 nan 0.000 0.453 392 P HA 0.304 nan 4.420 nan 0.000 0.209 392 P C -0.598 176.779 177.300 0.128 0.000 1.843 392 P CA 0.193 63.370 63.100 0.128 0.000 0.985 392 P CB 0.580 32.391 31.700 0.184 0.000 1.904 393 I N -0.927 119.696 120.570 0.088 0.000 3.066 393 I HA 0.298 4.468 4.170 0.000 0.000 0.307 393 I C -1.547 174.574 176.117 0.006 0.000 1.366 393 I CA -1.195 60.155 61.300 0.082 0.000 0.972 393 I CB 3.055 41.122 38.000 0.111 0.000 1.307 393 I HN -0.136 nan 8.210 nan 0.000 0.470 394 Q N 4.285 124.069 119.800 -0.027 0.000 2.261 394 Q HA 0.189 4.530 4.340 0.000 0.000 0.252 394 Q C 0.834 176.604 176.000 -0.383 0.000 0.915 394 Q CA -0.127 55.591 55.803 -0.141 0.000 0.915 394 Q CB 1.755 30.461 28.738 -0.053 0.000 1.204 394 Q HN 0.615 nan 8.270 nan 0.000 0.421 395 K N 2.880 122.825 120.400 -0.759 0.000 2.005 395 K HA -0.345 3.976 4.320 0.000 0.000 0.229 395 K C 1.061 177.353 176.600 -0.514 0.000 1.050 395 K CA 2.608 58.174 56.287 -1.202 0.000 0.994 395 K CB 0.024 32.073 32.500 -0.752 0.000 0.736 395 K HN 0.688 nan 8.250 nan 0.000 0.448 396 E N -0.331 119.706 120.200 -0.272 0.000 2.209 396 E HA -0.139 4.211 4.350 0.000 0.000 0.196 396 E C 1.880 178.405 176.600 -0.125 0.000 0.993 396 E CA 1.884 58.183 56.400 -0.168 0.000 0.819 396 E CB -0.132 29.500 29.700 -0.114 0.000 0.745 396 E HN 0.476 nan 8.360 nan 0.000 0.477 397 T N -0.249 114.283 114.554 -0.036 0.000 2.896 397 T HA -0.116 4.234 4.350 0.000 0.000 0.263 397 T C 1.286 176.130 174.700 0.239 0.000 1.050 397 T CA 0.893 63.084 62.100 0.152 0.000 1.140 397 T CB -0.243 68.748 68.868 0.205 0.000 0.877 397 T HN 0.432 nan 8.240 nan 0.000 0.457 398 W N 2.188 123.436 121.300 -0.086 0.000 2.441 398 W HA -0.010 4.651 4.660 0.000 0.000 0.302 398 W C 1.671 178.170 176.519 -0.034 0.000 1.191 398 W CA 0.797 58.113 57.345 -0.048 0.000 1.327 398 W CB -0.194 29.150 29.460 -0.193 0.000 1.128 398 W HN 0.308 nan 8.180 nan 0.000 0.522 399 E N 0.044 120.212 120.200 -0.053 0.000 2.219 399 E HA -0.205 4.146 4.350 0.000 0.000 0.198 399 E C 2.038 178.440 176.600 -0.330 0.000 0.998 399 E CA 2.091 58.410 56.400 -0.134 0.000 0.818 399 E CB -0.171 29.464 29.700 -0.109 0.000 0.741 399 E HN 0.189 nan 8.360 nan 0.000 0.477 400 T N -0.446 113.852 114.554 -0.426 0.000 2.770 400 T HA -0.103 4.247 4.350 0.000 0.000 0.263 400 T C 1.078 175.230 174.700 -0.914 0.000 1.039 400 T CA 0.835 62.459 62.100 -0.794 0.000 1.142 400 T CB -0.039 68.078 68.868 -1.251 0.000 0.868 400 T HN 0.353 nan 8.240 nan 0.000 0.435 401 W N 0.613 121.745 121.300 -0.281 0.000 3.058 401 W HA 0.224 4.884 4.660 0.000 0.000 0.306 401 W C 1.991 178.188 176.519 -0.537 0.000 1.188 401 W CA -0.852 56.263 57.345 -0.383 0.000 1.651 401 W CB -0.530 28.795 29.460 -0.225 0.000 1.051 401 W HN 0.435 nan 8.180 nan 0.000 0.592 402 W N 2.389 123.285 121.300 -0.673 0.000 2.308 402 W HA -0.305 4.355 4.660 0.000 0.000 0.301 402 W C 1.647 177.898 176.519 -0.447 0.000 1.220 402 W CA 2.616 59.404 57.345 -0.928 0.000 1.240 402 W CB -1.680 26.532 29.460 -2.080 0.000 1.142 402 W HN -0.127 nan 8.180 nan 0.000 0.521 403 T N -1.048 112.678 114.554 -1.380 0.000 2.867 403 T HA -0.178 4.172 4.350 0.000 0.000 0.268 403 T C 1.566 176.052 174.700 -0.358 0.000 1.057 403 T CA 1.506 62.955 62.100 -1.084 0.000 1.136 403 T CB -0.527 67.664 68.868 -1.128 0.000 0.874 403 T HN 0.081 nan 8.240 nan 0.000 0.466 404 E N 0.760 120.712 120.200 -0.414 0.000 2.204 404 E HA -0.084 4.266 4.350 0.000 0.000 0.195 404 E C 1.442 177.913 176.600 -0.214 0.000 0.990 404 E CA 1.130 57.330 56.400 -0.332 0.000 0.821 404 E CB -0.235 29.149 29.700 -0.527 0.000 0.750 404 E HN 0.742 nan 8.360 nan 0.000 0.477 405 Y N -1.609 118.748 120.300 0.095 0.000 2.481 405 Y HA 0.101 4.651 4.550 0.000 0.000 0.258 405 Y C 1.087 177.105 175.900 0.196 0.000 1.103 405 Y CA -1.099 57.076 58.100 0.125 0.000 1.287 405 Y CB -0.306 38.222 38.460 0.113 0.000 1.108 405 Y HN 0.050 nan 8.280 nan 0.000 0.529 406 W N 3.275 124.663 121.300 0.146 0.000 2.257 406 W HA 0.020 4.680 4.660 0.000 0.000 0.337 406 W C 0.228 176.811 176.519 0.106 0.000 1.321 406 W CA 0.948 58.408 57.345 0.192 0.000 1.267 406 W CB 0.681 30.317 29.460 0.293 0.000 1.187 406 W HN 0.175 nan 8.180 nan 0.000 0.565 407 Q N 3.276 122.869 119.800 -0.345 0.000 2.057 407 Q HA 0.208 4.548 4.340 0.000 0.000 0.216 407 Q C -0.022 175.679 176.000 -0.499 0.000 0.788 407 Q CA -0.178 55.442 55.803 -0.305 0.000 1.053 407 Q CB 1.242 29.845 28.738 -0.224 0.000 1.210 407 Q HN 0.399 nan 8.270 nan 0.000 0.455 408 A N 0.150 122.447 122.820 -0.871 0.000 2.282 408 A HA 0.511 4.831 4.320 0.000 0.000 0.324 408 A C 0.995 178.345 177.584 -0.391 0.000 1.119 408 A CA -0.184 51.331 52.037 -0.871 0.000 0.880 408 A CB 0.706 18.724 19.000 -1.636 0.000 1.294 408 A HN 0.168 nan 8.150 nan 0.000 0.493 409 T N -2.532 111.699 114.554 -0.538 0.000 3.044 409 T HA 0.172 4.522 4.350 0.000 0.000 0.250 409 T C 0.379 175.119 174.700 0.068 0.000 1.081 409 T CA -0.010 61.990 62.100 -0.167 0.000 1.040 409 T CB -0.320 68.454 68.868 -0.156 0.000 0.962 409 T HN 0.668 nan 8.240 nan 0.000 0.506 410 W N 0.879 122.427 121.300 0.415 0.000 2.655 410 W HA 0.750 5.410 4.660 0.000 0.000 0.358 410 W C -1.167 175.692 176.519 0.566 0.000 1.100 410 W CA -1.601 55.985 57.345 0.402 0.000 1.195 410 W CB 0.722 30.396 29.460 0.357 0.000 1.403 410 W HN -0.202 nan 8.180 nan 0.000 0.589 411 I N 3.022 124.036 120.570 0.740 0.000 2.478 411 I HA 0.267 4.437 4.170 0.000 0.000 0.287 411 I C -2.145 174.069 176.117 0.162 0.000 1.042 411 I CA -2.752 58.793 61.300 0.407 0.000 1.067 411 I CB 1.289 39.325 38.000 0.060 0.000 1.233 411 I HN 0.058 nan 8.210 nan 0.000 0.431 412 P HA 0.286 nan 4.420 nan 0.000 0.279 412 P C -0.518 176.600 177.300 -0.303 0.000 1.252 412 P CA -0.429 62.694 63.100 0.039 0.000 0.811 412 P CB 1.503 33.385 31.700 0.304 0.000 1.035 413 E N 1.849 121.924 120.200 -0.208 0.000 2.259 413 E HA 0.341 4.691 4.350 0.000 0.000 0.281 413 E C -1.164 175.328 176.600 -0.181 0.000 1.037 413 E CA -0.204 55.982 56.400 -0.357 0.000 0.854 413 E CB 0.110 29.698 29.700 -0.187 0.000 1.051 413 E HN 0.340 nan 8.360 nan 0.000 0.409 414 W N 3.098 124.282 121.300 -0.193 0.000 2.882 414 W HA 0.655 5.315 4.660 0.001 0.000 0.345 414 W C -0.924 175.291 176.519 -0.508 0.000 1.125 414 W CA -1.267 55.893 57.345 -0.308 0.000 1.167 414 W CB 0.074 29.273 29.460 -0.434 0.000 1.431 414 W HN 0.549 nan 8.180 nan 0.000 0.543 415 E N 0.698 120.759 120.200 -0.231 0.000 2.369 415 E HA 0.672 5.023 4.350 0.000 0.000 0.270 415 E C -1.824 174.453 176.600 -0.537 0.000 0.909 415 E CA -0.963 55.199 56.400 -0.396 0.000 0.775 415 E CB 2.056 31.674 29.700 -0.136 0.000 1.270 415 E HN 0.254 nan 8.360 nan 0.000 0.445 416 F N 1.257 121.198 119.950 -0.014 0.000 2.415 416 F HA 0.519 5.046 4.527 0.000 0.000 0.348 416 F C -0.144 175.648 175.800 -0.014 0.000 1.119 416 F CA -0.934 57.029 58.000 -0.062 0.000 1.069 416 F CB 1.857 40.816 39.000 -0.068 0.000 1.124 416 F HN 0.269 nan 8.300 nan 0.000 0.472 417 V N 3.772 123.786 119.914 0.168 0.000 2.709 417 V HA 0.553 4.673 4.120 0.000 0.000 0.308 417 V C -1.455 174.706 176.094 0.111 0.000 1.062 417 V CA -0.534 61.838 62.300 0.121 0.000 0.901 417 V CB 2.084 33.963 31.823 0.092 0.000 1.003 417 V HN 0.776 nan 8.190 nan 0.000 0.425 418 N N 3.450 122.208 118.700 0.096 0.000 2.479 418 N HA 0.644 5.384 4.740 0.000 0.000 0.261 418 N C -0.937 174.620 175.510 0.078 0.000 0.979 418 N CA 0.056 53.155 53.050 0.081 0.000 0.930 418 N CB 1.732 40.259 38.487 0.067 0.000 1.172 418 N HN 0.846 nan 8.380 nan 0.000 0.499 419 T N 1.695 116.299 114.554 0.084 0.000 3.066 419 T HA 0.475 4.826 4.350 0.000 0.000 0.318 419 T C -2.392 172.356 174.700 0.080 0.000 0.979 419 T CA -1.245 60.908 62.100 0.088 0.000 1.025 419 T CB 1.097 70.033 68.868 0.113 0.000 1.002 419 T HN 0.364 nan 8.240 nan 0.000 0.453 420 P HA 0.217 nan 4.420 nan 0.000 0.270 420 P C -2.559 174.758 177.300 0.027 0.000 1.221 420 P CA -0.912 62.206 63.100 0.029 0.000 0.788 420 P CB -0.278 31.436 31.700 0.023 0.000 0.904 421 P HA 0.218 nan 4.420 nan 0.000 0.280 421 P C -0.213 176.996 177.300 -0.152 0.000 1.386 421 P CA -0.237 62.773 63.100 -0.150 0.000 0.899 421 P CB 0.163 31.718 31.700 -0.241 0.000 1.098 422 L N 1.065 122.278 121.223 -0.017 0.000 2.418 422 L HA 0.382 4.722 4.340 0.000 0.000 0.265 422 L C 0.890 177.688 176.870 -0.120 0.000 1.143 422 L CA -1.140 53.735 54.840 0.059 0.000 0.809 422 L CB 0.123 42.329 42.059 0.245 0.000 1.124 422 L HN 0.010 nan 8.230 nan 0.000 0.456 423 V N 1.475 121.347 119.914 -0.071 0.000 5.359 423 V HA -0.348 3.773 4.120 0.000 0.000 0.278 423 V C 1.170 176.896 176.094 -0.613 0.000 0.622 423 V CA 1.417 63.612 62.300 -0.175 0.000 0.649 423 V CB -2.579 29.321 31.823 0.128 0.000 0.408 423 V HN 1.032 nan 8.190 nan 0.000 0.918 424 K N -1.722 118.377 120.400 -0.502 0.000 2.020 424 K HA -0.244 4.076 4.320 0.000 0.000 0.142 424 K C 0.346 176.318 176.600 -1.048 0.000 1.458 424 K CA 1.664 57.620 56.287 -0.552 0.000 0.544 424 K CB -0.504 31.779 32.500 -0.362 0.000 0.566 424 K HN 0.462 nan 8.250 nan 0.000 0.927 425 L N 1.760 122.478 121.223 -0.841 0.000 2.337 425 L HA 0.230 4.570 4.340 0.000 0.000 0.269 425 L C 1.530 178.058 176.870 -0.570 0.000 1.018 425 L CA -0.692 53.562 54.840 -0.977 0.000 0.876 425 L CB 0.584 42.384 42.059 -0.432 0.000 1.236 425 L HN 0.570 nan 8.230 nan 0.000 0.436 426 W N 0.894 122.019 121.300 -0.292 0.000 2.308 426 W HA -0.264 4.396 4.660 0.000 0.000 0.301 426 W C 1.373 177.824 176.519 -0.114 0.000 1.220 426 W CA 0.665 57.848 57.345 -0.269 0.000 1.240 426 W CB -0.735 28.344 29.460 -0.635 0.000 1.142 426 W HN 0.579 nan 8.180 nan 0.000 0.521 427 Y N 0.253 120.780 120.300 0.378 0.000 2.373 427 Y HA -0.024 4.527 4.550 0.000 0.000 0.293 427 Y C 2.112 178.100 175.900 0.146 0.000 1.129 427 Y CA 1.163 59.433 58.100 0.282 0.000 1.226 427 Y CB -0.663 37.967 38.460 0.285 0.000 1.000 427 Y HN -0.075 nan 8.280 nan 0.000 0.549 428 Q N 0.000 119.921 119.800 0.201 0.000 2.315 428 Q HA 0.000 4.340 4.340 0.000 0.000 0.214 428 Q CA 0.000 55.864 55.803 0.102 0.000 1.022 428 Q CB 0.000 28.759 28.738 0.035 0.000 1.108 428 Q HN 0.000 nan 8.270 nan 0.000 0.481