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_N 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 0.000 174.635 174.600 0.058 0.000 1.055 3 S CA 0.000 58.239 58.200 0.064 0.000 1.107 3 S CB 0.000 63.248 63.200 0.081 0.000 0.593 4 P HA -0.018 nan 4.420 nan 0.000 0.205 4 P C 0.643 177.974 177.300 0.053 0.000 1.164 4 P CA 0.509 63.639 63.100 0.050 0.000 0.938 4 P CB -0.159 31.570 31.700 0.050 0.000 0.777 5 I N 0.966 121.572 120.570 0.060 0.000 2.919 5 I HA -0.109 4.062 4.170 0.001 0.000 0.303 5 I C 0.719 176.872 176.117 0.061 0.000 1.221 5 I CA -0.273 61.063 61.300 0.060 0.000 1.444 5 I CB 0.251 38.293 38.000 0.071 0.000 1.331 5 I HN 0.182 nan 8.210 nan 0.000 0.572 6 E N 5.418 125.650 120.200 0.053 0.000 2.383 6 E HA 0.049 4.400 4.350 0.001 0.000 0.257 6 E C -0.441 176.196 176.600 0.062 0.000 1.079 6 E CA -0.458 55.973 56.400 0.052 0.000 0.934 6 E CB -0.061 29.665 29.700 0.043 0.000 0.978 6 E HN 0.606 nan 8.360 nan 0.000 0.462 7 T N 0.287 114.883 114.554 0.069 0.000 2.799 7 T HA 0.316 4.667 4.350 0.001 0.000 0.286 7 T C 0.523 175.271 174.700 0.079 0.000 0.973 7 T CA -0.784 61.365 62.100 0.082 0.000 1.035 7 T CB 1.328 70.252 68.868 0.092 0.000 0.932 7 T HN 0.559 nan 8.240 nan 0.000 0.469 8 V N 1.898 121.867 119.914 0.092 0.000 2.493 8 V HA 0.333 4.454 4.120 0.001 0.000 0.292 8 V C -2.146 174.005 176.094 0.094 0.000 1.016 8 V CA -1.702 60.663 62.300 0.108 0.000 1.097 8 V CB -0.660 31.257 31.823 0.157 0.000 0.947 8 V HN 0.837 nan 8.190 nan 0.000 0.479 9 P HA 0.195 nan 4.420 nan 0.000 0.270 9 P C -0.322 176.985 177.300 0.012 0.000 1.242 9 P CA -0.008 63.122 63.100 0.051 0.000 0.768 9 P CB 1.061 32.798 31.700 0.062 0.000 0.820 10 V N 5.524 125.342 119.914 -0.160 0.000 2.372 10 V HA 0.078 4.199 4.120 0.001 0.000 0.261 10 V C 1.069 177.032 176.094 -0.217 0.000 1.055 10 V CA -0.370 61.634 62.300 -0.494 0.000 0.930 10 V CB 0.011 31.171 31.823 -1.105 0.000 1.031 10 V HN 0.453 nan 8.190 nan 0.000 0.479 11 K N 4.570 124.929 120.400 -0.069 0.000 2.154 11 K HA 0.522 4.842 4.320 0.001 0.000 0.264 11 K C -0.619 175.979 176.600 -0.003 0.000 1.008 11 K CA -0.771 55.525 56.287 0.015 0.000 0.937 11 K CB 1.695 34.236 32.500 0.068 0.000 1.002 11 K HN 0.362 nan 8.250 nan 0.000 0.469 12 L N 1.566 122.798 121.223 0.014 0.000 2.334 12 L HA 0.254 4.595 4.340 0.001 0.000 0.273 12 L C -0.240 176.627 176.870 -0.004 0.000 1.013 12 L CA -0.498 54.336 54.840 -0.011 0.000 0.816 12 L CB 1.260 43.272 42.059 -0.080 0.000 1.278 12 L HN 0.381 nan 8.230 nan 0.000 0.431 13 K N 4.526 124.920 120.400 -0.010 0.000 2.440 13 K HA 0.017 4.338 4.320 0.001 0.000 0.275 13 K C -2.259 174.340 176.600 -0.002 0.000 1.082 13 K CA -1.033 55.248 56.287 -0.009 0.000 1.135 13 K CB -0.306 32.188 32.500 -0.010 0.000 0.864 13 K HN 0.400 nan 8.250 nan 0.000 0.479 14 P HA -0.064 nan 4.420 nan 0.000 0.258 14 P C 0.627 177.937 177.300 0.015 0.000 1.187 14 P CA 0.796 63.902 63.100 0.011 0.000 0.767 14 P CB 0.309 32.014 31.700 0.008 0.000 0.770 15 G N 2.672 111.487 108.800 0.025 0.000 2.141 15 G HA2 -0.227 3.733 3.960 0.001 0.000 0.242 15 G HA3 -0.227 3.733 3.960 0.001 0.000 0.242 15 G C 0.140 175.062 174.900 0.036 0.000 0.982 15 G CA -0.551 44.568 45.100 0.032 0.000 0.662 15 G HN 0.402 nan 8.290 nan 0.000 0.527 16 M N 1.082 120.698 119.600 0.026 0.000 2.180 16 M HA 0.330 4.811 4.480 0.001 0.000 0.358 16 M C -0.009 176.318 176.300 0.046 0.000 1.233 16 M CA -0.647 54.667 55.300 0.023 0.000 1.114 16 M CB 0.861 33.457 32.600 -0.006 0.000 1.594 16 M HN 0.207 nan 8.290 nan 0.000 0.467 17 D N 2.356 122.804 120.400 0.079 0.000 2.312 17 D HA 0.385 5.026 4.640 0.001 0.000 0.252 17 D C 0.655 177.051 176.300 0.160 0.000 1.150 17 D CA 0.341 54.434 54.000 0.154 0.000 0.870 17 D CB 0.946 41.835 40.800 0.149 0.000 1.153 17 D HN 0.732 nan 8.370 nan 0.000 0.457 18 G N 3.667 112.625 108.800 0.262 0.000 2.785 18 G HA2 0.143 4.103 3.960 0.001 0.000 0.256 18 G HA3 0.143 4.103 3.960 0.001 0.000 0.256 18 G C -2.209 172.900 174.900 0.350 0.000 1.248 18 G CA -0.831 44.371 45.100 0.171 0.000 0.914 18 G HN 0.487 nan 8.290 nan 0.000 0.580 19 P HA 0.336 nan 4.420 nan 0.000 0.285 19 P C -1.128 176.346 177.300 0.290 0.000 1.259 19 P CA -0.320 62.932 63.100 0.254 0.000 0.794 19 P CB 1.299 33.123 31.700 0.206 0.000 0.940 20 K N 2.036 122.548 120.400 0.187 0.000 2.814 20 K HA 0.400 4.721 4.320 0.001 0.000 0.205 20 K C -1.127 175.535 176.600 0.104 0.000 1.093 20 K CA -0.492 55.870 56.287 0.124 0.000 1.035 20 K CB 1.415 33.960 32.500 0.076 0.000 1.220 20 K HN 0.170 nan 8.250 nan 0.000 0.576 21 V N 2.801 122.781 119.914 0.110 0.000 2.495 21 V HA 0.295 4.416 4.120 0.001 0.000 0.298 21 V C 0.011 176.163 176.094 0.097 0.000 1.031 21 V CA -1.115 61.252 62.300 0.113 0.000 0.871 21 V CB 1.623 33.525 31.823 0.132 0.000 0.988 21 V HN 0.429 nan 8.190 nan 0.000 0.432 22 K N 2.779 123.241 120.400 0.103 0.000 2.295 22 K HA 0.254 4.575 4.320 0.001 0.000 0.270 22 K C -0.103 176.545 176.600 0.080 0.000 1.011 22 K CA -0.312 56.025 56.287 0.084 0.000 0.953 22 K CB 0.968 33.523 32.500 0.091 0.000 0.956 22 K HN 0.723 nan 8.250 nan 0.000 0.477 23 Q N 2.819 122.621 119.800 0.004 0.000 2.293 23 Q HA 0.145 4.486 4.340 0.001 0.000 0.251 23 Q C -1.006 174.964 176.000 -0.051 0.000 0.930 23 Q CA -0.339 55.380 55.803 -0.140 0.000 0.893 23 Q CB 0.677 29.331 28.738 -0.141 0.000 1.215 23 Q HN 0.535 nan 8.270 nan 0.000 0.425 24 W N 2.227 123.528 121.300 0.002 0.000 2.516 24 W HA 0.567 5.227 4.660 0.001 0.000 0.343 24 W C -2.452 174.038 176.519 -0.048 0.000 1.094 24 W CA -2.653 54.675 57.345 -0.029 0.000 1.250 24 W CB -0.730 28.701 29.460 -0.047 0.000 1.308 24 W HN 0.516 nan 8.180 nan 0.000 0.588 25 P HA -0.023 nan 4.420 nan 0.000 0.266 25 P C -0.515 176.865 177.300 0.134 0.000 1.180 25 P CA 0.674 63.839 63.100 0.108 0.000 0.765 25 P CB 0.518 32.257 31.700 0.064 0.000 0.806 26 L N 1.354 122.602 121.223 0.042 0.000 2.408 26 L HA 0.375 4.716 4.340 0.001 0.000 0.268 26 L C 0.596 177.462 176.870 -0.007 0.000 0.986 26 L CA -0.932 53.925 54.840 0.028 0.000 0.820 26 L CB 2.123 44.162 42.059 -0.033 0.000 1.303 26 L HN 0.349 nan 8.230 nan 0.000 0.411 27 T N -2.551 111.999 114.554 -0.007 0.000 2.932 27 T HA -0.010 4.341 4.350 0.001 0.000 0.312 27 T C 1.015 175.680 174.700 -0.059 0.000 1.071 27 T CA -0.115 61.970 62.100 -0.024 0.000 1.128 27 T CB 1.357 70.219 68.868 -0.009 0.000 0.984 27 T HN 0.841 nan 8.240 nan 0.000 0.549 28 E N 1.545 121.714 120.200 -0.053 0.000 2.048 28 E HA -0.337 4.014 4.350 0.001 0.000 0.202 28 E C 2.007 178.533 176.600 -0.123 0.000 1.021 28 E CA 2.012 58.369 56.400 -0.071 0.000 0.825 28 E CB -0.269 29.402 29.700 -0.047 0.000 0.756 28 E HN 0.950 nan 8.360 nan 0.000 0.454 29 E N 1.010 121.136 120.200 -0.123 0.000 2.171 29 E HA -0.274 4.077 4.350 0.001 0.000 0.197 29 E C 1.937 178.255 176.600 -0.470 0.000 0.997 29 E CA 1.795 58.068 56.400 -0.211 0.000 0.810 29 E CB -0.435 29.211 29.700 -0.090 0.000 0.738 29 E HN 0.424 nan 8.360 nan 0.000 0.467 30 K N 0.360 120.511 120.400 -0.415 0.000 2.404 30 K HA 0.148 4.469 4.320 0.001 0.000 0.194 30 K C 1.858 178.254 176.600 -0.340 0.000 1.023 30 K CA 0.227 56.175 56.287 -0.565 0.000 1.094 30 K CB 0.184 32.482 32.500 -0.335 0.000 0.841 30 K HN 0.181 nan 8.250 nan 0.000 0.523 31 I N 1.578 122.008 120.570 -0.234 0.000 2.339 31 I HA -0.116 4.055 4.170 0.001 0.000 0.245 31 I C 1.854 177.869 176.117 -0.171 0.000 1.096 31 I CA 0.864 62.069 61.300 -0.158 0.000 1.408 31 I CB -0.017 37.922 38.000 -0.103 0.000 1.092 31 I HN 0.179 nan 8.210 nan 0.000 0.423 32 K N 1.035 121.321 120.400 -0.189 0.000 2.280 32 K HA -0.091 4.230 4.320 0.001 0.000 0.202 32 K C 2.076 178.547 176.600 -0.216 0.000 1.047 32 K CA 1.244 57.431 56.287 -0.167 0.000 0.942 32 K CB -0.079 32.336 32.500 -0.142 0.000 0.739 32 K HN 0.287 nan 8.250 nan 0.000 0.457 33 A N 0.891 123.494 122.820 -0.360 0.000 1.930 33 A HA -0.083 4.238 4.320 0.001 0.000 0.215 33 A C 1.987 179.432 177.584 -0.231 0.000 1.176 33 A CA 0.826 52.617 52.037 -0.410 0.000 0.632 33 A CB -0.278 18.163 19.000 -0.932 0.000 0.819 33 A HN 0.138 nan 8.150 nan 0.000 0.445 34 L N -0.343 120.750 121.223 -0.217 0.000 2.141 34 L HA -0.069 4.271 4.340 0.001 0.000 0.209 34 L C 2.445 179.254 176.870 -0.102 0.000 1.094 34 L CA 1.296 56.054 54.840 -0.138 0.000 0.763 34 L CB -0.316 41.668 42.059 -0.124 0.000 0.908 34 L HN 0.181 nan 8.230 nan 0.000 0.437 35 V N -0.458 119.400 119.914 -0.093 0.000 2.295 35 V HA -0.301 3.820 4.120 0.001 0.000 0.246 35 V C 2.497 178.552 176.094 -0.065 0.000 1.049 35 V CA 1.971 64.237 62.300 -0.057 0.000 1.024 35 V CB -0.522 31.273 31.823 -0.047 0.000 0.648 35 V HN 0.585 nan 8.190 nan 0.000 0.447 36 E N 0.253 120.409 120.200 -0.074 0.000 2.012 36 E HA -0.246 4.105 4.350 0.001 0.000 0.197 36 E C 2.293 178.855 176.600 -0.063 0.000 1.007 36 E CA 1.990 58.355 56.400 -0.059 0.000 0.816 36 E CB -0.138 29.529 29.700 -0.054 0.000 0.762 36 E HN 0.403 nan 8.360 nan 0.000 0.451 37 I N 1.380 121.911 120.570 -0.066 0.000 2.185 37 I HA -0.329 3.842 4.170 0.001 0.000 0.246 37 I C 2.699 178.748 176.117 -0.113 0.000 1.088 37 I CA 1.005 62.266 61.300 -0.065 0.000 1.347 37 I CB -1.634 36.338 38.000 -0.047 0.000 1.041 37 I HN 0.392 nan 8.210 nan 0.000 0.415 38 C N 0.582 119.791 119.300 -0.152 0.000 2.467 38 C HA -0.086 4.375 4.460 0.001 0.000 0.279 38 C C 3.002 177.843 174.990 -0.247 0.000 1.347 38 C CA 1.379 60.237 59.018 -0.267 0.000 1.748 38 C CB -1.067 26.429 27.740 -0.407 0.000 1.977 38 C HN 0.661 nan 8.230 nan 0.000 0.501 39 T N -0.930 113.545 114.554 -0.132 0.000 2.962 39 T HA -0.092 4.259 4.350 0.001 0.000 0.270 39 T C 1.396 176.058 174.700 -0.063 0.000 1.088 39 T CA 1.305 63.367 62.100 -0.063 0.000 1.127 39 T CB -0.242 68.613 68.868 -0.021 0.000 0.883 39 T HN 0.507 nan 8.240 nan 0.000 0.493 40 E N 1.018 121.171 120.200 -0.078 0.000 2.122 40 E HA 0.173 4.524 4.350 0.001 0.000 0.190 40 E C 2.163 178.708 176.600 -0.093 0.000 0.977 40 E CA 0.563 56.923 56.400 -0.067 0.000 0.820 40 E CB -0.352 29.315 29.700 -0.056 0.000 0.770 40 E HN 0.534 nan 8.360 nan 0.000 0.462 41 M N 0.716 120.231 119.600 -0.142 0.000 2.229 41 M HA -0.143 4.338 4.480 0.001 0.000 0.264 41 M C 2.273 178.482 176.300 -0.151 0.000 1.063 41 M CA 1.207 56.392 55.300 -0.191 0.000 1.114 41 M CB -0.062 32.378 32.600 -0.265 0.000 1.387 41 M HN 0.063 nan 8.290 nan 0.000 0.420 42 E N 0.643 120.767 120.200 -0.127 0.000 2.072 42 E HA -0.184 4.167 4.350 0.001 0.000 0.190 42 E C 1.776 178.357 176.600 -0.031 0.000 0.982 42 E CA 1.127 57.492 56.400 -0.058 0.000 0.803 42 E CB 0.205 29.912 29.700 0.011 0.000 0.755 42 E HN 0.422 nan 8.360 nan 0.000 0.453 43 K N 0.445 120.825 120.400 -0.034 0.000 2.025 43 K HA -0.117 4.204 4.320 0.001 0.000 0.207 43 K C 1.914 178.501 176.600 -0.020 0.000 1.049 43 K CA 1.428 57.703 56.287 -0.020 0.000 0.933 43 K CB -0.031 32.458 32.500 -0.019 0.000 0.714 43 K HN 0.142 nan 8.250 nan 0.000 0.438 44 E N -0.221 119.958 120.200 -0.035 0.000 2.515 44 E HA -0.063 4.288 4.350 0.001 0.000 0.201 44 E C 0.836 177.425 176.600 -0.017 0.000 1.071 44 E CA 0.365 56.749 56.400 -0.028 0.000 0.880 44 E CB -0.001 29.668 29.700 -0.051 0.000 0.828 44 E HN 0.532 nan 8.360 nan 0.000 0.540 45 G N 1.477 110.265 108.800 -0.019 0.000 2.189 45 G HA2 -0.359 3.602 3.960 0.001 0.000 0.267 45 G HA3 -0.359 3.602 3.960 0.001 0.000 0.267 45 G C 1.054 175.958 174.900 0.007 0.000 0.975 45 G CA 0.784 45.884 45.100 0.000 0.000 0.644 45 G HN 0.142 nan 8.290 nan 0.000 0.537 46 K N 0.020 120.401 120.400 -0.032 0.000 2.057 46 K HA 0.047 4.368 4.320 0.001 0.000 0.207 46 K C 1.780 178.387 176.600 0.013 0.000 1.049 46 K CA 1.764 58.046 56.287 -0.009 0.000 0.931 46 K CB -0.296 32.099 32.500 -0.176 0.000 0.714 46 K HN 0.899 nan 8.250 nan 0.000 0.440 47 I N -3.318 117.199 120.570 -0.089 0.000 3.023 47 I HA 0.454 4.624 4.170 0.001 0.000 0.312 47 I C -0.546 175.555 176.117 -0.028 0.000 1.056 47 I CA -0.992 60.235 61.300 -0.122 0.000 1.033 47 I CB 2.325 40.135 38.000 -0.317 0.000 1.233 47 I HN -0.271 nan 8.210 nan 0.000 0.462 48 S N 1.851 117.554 115.700 0.004 0.000 2.571 48 S HA 0.419 4.890 4.470 0.001 0.000 0.284 48 S C -0.663 173.941 174.600 0.006 0.000 1.128 48 S CA -0.811 57.401 58.200 0.021 0.000 0.970 48 S CB 1.318 64.519 63.200 0.002 0.000 1.039 48 S HN 0.637 nan 8.310 nan 0.000 0.485 49 K N 3.181 123.556 120.400 -0.042 0.000 2.380 49 K HA 0.377 4.698 4.320 0.001 0.000 0.267 49 K C 0.054 176.531 176.600 -0.206 0.000 0.990 49 K CA 0.230 56.363 56.287 -0.258 0.000 0.946 49 K CB 0.242 32.561 32.500 -0.303 0.000 0.937 49 K HN 0.663 nan 8.250 nan 0.000 0.491 50 I N -2.588 117.824 120.570 -0.264 0.000 3.279 50 I HA 0.570 4.741 4.170 0.001 0.000 0.315 50 I C 0.092 176.098 176.117 -0.185 0.000 1.187 50 I CA -1.258 59.933 61.300 -0.181 0.000 0.953 50 I CB 1.913 39.824 38.000 -0.147 0.000 1.279 50 I HN 0.581 nan 8.210 nan 0.000 0.465 51 G N 0.488 109.206 108.800 -0.136 0.000 2.795 51 G HA2 0.633 4.594 3.960 0.001 0.000 0.267 51 G HA3 0.633 4.594 3.960 0.001 0.000 0.267 51 G C -2.234 172.599 174.900 -0.111 0.000 1.362 51 G CA -1.173 43.853 45.100 -0.123 0.000 1.048 51 G HN 0.580 nan 8.290 nan 0.000 0.547 52 P HA 0.081 nan 4.420 nan 0.000 0.257 52 P C 0.817 178.063 177.300 -0.089 0.000 1.281 52 P CA 0.339 63.386 63.100 -0.090 0.000 0.826 52 P CB 0.529 32.181 31.700 -0.079 0.000 1.237 53 E N 0.411 120.560 120.200 -0.086 0.000 2.427 53 E HA -0.112 4.239 4.350 0.001 0.000 0.196 53 E C 0.200 176.740 176.600 -0.099 0.000 1.028 53 E CA 0.199 56.549 56.400 -0.084 0.000 0.864 53 E CB -0.924 28.734 29.700 -0.069 0.000 0.813 53 E HN 0.317 nan 8.360 nan 0.000 0.514 54 N N 2.847 121.487 118.700 -0.100 0.000 2.469 54 N HA 0.082 4.823 4.740 0.001 0.000 0.239 54 N C -1.563 173.838 175.510 -0.182 0.000 1.053 54 N CA -1.475 51.515 53.050 -0.099 0.000 0.937 54 N CB 1.113 39.573 38.487 -0.045 0.000 1.163 54 N HN -0.165 nan 8.380 nan 0.000 0.509 55 P HA -0.136 nan 4.420 nan 0.000 0.231 55 P C -0.604 176.375 177.300 -0.536 0.000 1.158 55 P CA 0.908 63.721 63.100 -0.478 0.000 0.763 55 P CB 0.044 31.390 31.700 -0.590 0.000 0.805 56 Y N 0.557 120.834 120.300 -0.038 0.000 2.326 56 Y HA 0.516 5.067 4.550 0.001 0.000 0.324 56 Y C 0.999 176.910 175.900 0.019 0.000 1.291 56 Y CA -0.451 57.651 58.100 0.002 0.000 1.348 56 Y CB 0.416 38.870 38.460 -0.009 0.000 1.294 56 Y HN -0.113 nan 8.280 nan 0.000 0.525 57 N N -1.327 117.506 118.700 0.223 0.000 3.049 57 N HA 0.456 5.197 4.740 0.001 0.000 0.244 57 N C -1.996 173.609 175.510 0.158 0.000 1.203 57 N CA -0.474 52.672 53.050 0.160 0.000 0.945 57 N CB 1.542 40.082 38.487 0.089 0.000 1.616 57 N HN 0.592 nan 8.380 nan 0.000 0.505 58 T N 2.052 116.689 114.554 0.139 0.000 2.933 58 T HA 0.575 4.926 4.350 0.001 0.000 0.305 58 T C -2.934 171.766 174.700 -0.000 0.000 1.092 58 T CA -0.848 61.288 62.100 0.059 0.000 1.008 58 T CB 2.319 71.170 68.868 -0.028 0.000 1.102 58 T HN 0.329 nan 8.240 nan 0.000 0.469 59 P HA 0.452 nan 4.420 nan 0.000 0.277 59 P C -0.887 176.280 177.300 -0.222 0.000 1.240 59 P CA -0.444 62.541 63.100 -0.192 0.000 0.798 59 P CB 1.030 32.606 31.700 -0.207 0.000 0.979 60 V N -0.020 119.696 119.914 -0.330 0.000 3.040 60 V HA 0.880 5.001 4.120 0.001 0.000 0.312 60 V C -0.481 175.512 176.094 -0.168 0.000 1.115 60 V CA -0.773 61.385 62.300 -0.237 0.000 0.998 60 V CB 1.579 33.174 31.823 -0.381 0.000 1.042 60 V HN 0.708 nan 8.190 nan 0.000 0.433 61 F N -0.214 119.542 119.950 -0.322 0.000 3.461 61 F HA 1.056 5.584 4.527 0.001 0.000 0.328 61 F C -0.519 175.242 175.800 -0.064 0.000 1.160 61 F CA -0.998 56.870 58.000 -0.219 0.000 0.879 61 F CB 0.625 39.569 39.000 -0.093 0.000 1.559 61 F HN 1.158 nan 8.300 nan 0.000 0.510 62 A N 0.526 123.336 122.820 -0.016 0.000 2.602 62 A HA 0.899 5.220 4.320 0.001 0.000 0.290 62 A C -1.769 175.973 177.584 0.262 0.000 1.114 62 A CA -0.215 51.819 52.037 -0.005 0.000 0.683 62 A CB 2.010 21.079 19.000 0.116 0.000 1.281 62 A HN 1.800 nan 8.150 nan 0.000 0.416 63 I N -1.601 119.151 120.570 0.303 0.000 2.842 63 I HA 0.573 4.744 4.170 0.001 0.000 0.297 63 I C -1.364 174.619 176.117 -0.224 0.000 1.380 63 I CA -0.615 60.780 61.300 0.159 0.000 1.018 63 I CB 1.671 39.733 38.000 0.102 0.000 1.311 63 I HN 0.782 nan 8.210 nan 0.000 0.439 64 K N 5.307 125.342 120.400 -0.609 0.000 2.367 64 K HA 0.405 4.725 4.320 0.001 0.000 0.263 64 K C -0.464 175.898 176.600 -0.397 0.000 1.000 64 K CA -0.520 55.304 56.287 -0.771 0.000 0.891 64 K CB 1.635 33.358 32.500 -1.295 0.000 1.117 64 K HN 0.814 nan 8.250 nan 0.000 0.443 65 K N 2.459 122.679 120.400 -0.300 0.000 2.136 65 K HA 0.137 4.458 4.320 0.001 0.000 0.237 65 K C -0.220 176.258 176.600 -0.204 0.000 1.048 65 K CA -0.316 55.839 56.287 -0.220 0.000 0.880 65 K CB 0.594 32.972 32.500 -0.204 0.000 1.105 65 K HN 0.458 nan 8.250 nan 0.000 0.507 66 K N 1.968 122.268 120.400 -0.166 0.000 2.249 66 K HA 0.025 4.345 4.320 0.001 0.000 0.280 66 K C -0.084 176.434 176.600 -0.138 0.000 1.033 66 K CA 0.231 56.437 56.287 -0.136 0.000 0.946 66 K CB 0.947 33.383 32.500 -0.106 0.000 1.005 66 K HN 0.802 nan 8.250 nan 0.000 0.469 67 D N 0.359 120.691 120.400 -0.115 0.000 2.946 67 D HA -0.159 4.481 4.640 0.001 0.000 0.202 67 D C -0.965 175.267 176.300 -0.113 0.000 1.068 67 D CA 1.343 55.283 54.000 -0.101 0.000 1.011 67 D CB -0.703 40.037 40.800 -0.099 0.000 1.105 67 D HN 0.423 nan 8.370 nan 0.000 0.425 68 S N -0.374 115.239 115.700 -0.144 0.000 2.488 68 S HA 0.325 4.795 4.470 0.001 0.000 0.310 68 S C 1.073 175.564 174.600 -0.182 0.000 1.093 68 S CA -0.031 58.077 58.200 -0.152 0.000 1.129 68 S CB 1.390 64.487 63.200 -0.171 0.000 0.989 68 S HN 0.253 nan 8.310 nan 0.000 0.479 69 T N 2.104 116.579 114.554 -0.132 0.000 2.915 69 T HA 0.009 4.360 4.350 0.001 0.000 0.269 69 T C 0.878 175.497 174.700 -0.134 0.000 1.071 69 T CA 0.858 62.883 62.100 -0.126 0.000 1.132 69 T CB 0.050 68.887 68.868 -0.052 0.000 0.878 69 T HN 0.232 nan 8.240 nan 0.000 0.479 70 K N 1.070 121.414 120.400 -0.092 0.000 2.326 70 K HA 0.167 4.488 4.320 0.001 0.000 0.275 70 K C -0.644 175.913 176.600 -0.072 0.000 1.018 70 K CA -0.309 55.968 56.287 -0.018 0.000 0.962 70 K CB 0.299 32.801 32.500 0.002 0.000 0.953 70 K HN 0.330 nan 8.250 nan 0.000 0.475 71 W N 1.949 123.230 121.300 -0.032 0.000 2.316 71 W HA 0.272 4.933 4.660 0.002 0.000 0.321 71 W C 0.927 177.418 176.519 -0.047 0.000 1.203 71 W CA -0.236 57.085 57.345 -0.040 0.000 1.214 71 W CB 0.701 30.138 29.460 -0.038 0.000 1.169 71 W HN 0.341 nan 8.180 nan 0.000 0.561 72 R N 3.660 124.251 120.500 0.152 0.000 2.445 72 R HA 0.312 4.653 4.340 0.001 0.000 0.308 72 R C -0.299 176.026 176.300 0.042 0.000 0.961 72 R CA -0.851 55.288 56.100 0.065 0.000 0.862 72 R CB 0.927 31.216 30.300 -0.017 0.000 1.144 72 R HN 0.481 nan 8.270 nan 0.000 0.447 73 K N 3.580 123.992 120.400 0.020 0.000 2.237 73 K HA 0.241 4.562 4.320 0.001 0.000 0.270 73 K C -1.333 175.189 176.600 -0.130 0.000 1.015 73 K CA -0.488 55.760 56.287 -0.065 0.000 0.949 73 K CB 0.703 33.183 32.500 -0.033 0.000 0.976 73 K HN 0.343 nan 8.250 nan 0.000 0.472 74 L N 4.285 125.324 121.223 -0.307 0.000 2.505 74 L HA 0.389 4.729 4.340 0.001 0.000 0.266 74 L C -1.787 174.892 176.870 -0.318 0.000 0.954 74 L CA -0.564 54.071 54.840 -0.342 0.000 0.852 74 L CB 1.851 43.555 42.059 -0.592 0.000 1.282 74 L HN 0.416 nan 8.230 nan 0.000 0.403 75 V N 3.055 122.877 119.914 -0.153 0.000 2.581 75 V HA 0.431 4.552 4.120 0.001 0.000 0.303 75 V C -0.479 175.548 176.094 -0.111 0.000 1.041 75 V CA -0.617 61.527 62.300 -0.260 0.000 0.907 75 V CB 1.809 33.248 31.823 -0.639 0.000 0.994 75 V HN 0.756 nan 8.190 nan 0.000 0.442 76 D N 2.427 122.800 120.400 -0.045 0.000 2.631 76 D HA 0.231 4.872 4.640 0.001 0.000 0.227 76 D C 0.375 176.674 176.300 -0.001 0.000 1.146 76 D CA -0.261 53.803 54.000 0.107 0.000 1.009 76 D CB -0.158 40.792 40.800 0.251 0.000 1.057 76 D HN 0.376 nan 8.370 nan 0.000 0.509 77 F N 0.802 120.847 119.950 0.158 0.000 2.754 77 F HA 0.169 4.697 4.527 0.001 0.000 0.303 77 F C 2.201 178.081 175.800 0.134 0.000 1.196 77 F CA -0.072 58.011 58.000 0.139 0.000 1.416 77 F CB -0.192 38.903 39.000 0.159 0.000 1.092 77 F HN 0.210 nan 8.300 nan 0.000 0.541 78 R N 0.679 121.314 120.500 0.224 0.000 2.133 78 R HA -0.265 4.076 4.340 0.001 0.000 0.247 78 R C 2.218 178.601 176.300 0.138 0.000 1.151 78 R CA 2.017 58.192 56.100 0.124 0.000 0.971 78 R CB -0.095 30.202 30.300 -0.005 0.000 0.866 78 R HN 0.251 nan 8.270 nan 0.000 0.447 79 E N 0.019 120.312 120.200 0.155 0.000 2.021 79 E HA -0.108 4.243 4.350 0.001 0.000 0.189 79 E C 1.747 178.462 176.600 0.190 0.000 0.980 79 E CA 0.936 57.425 56.400 0.148 0.000 0.803 79 E CB -0.420 29.361 29.700 0.135 0.000 0.766 79 E HN 0.253 nan 8.360 nan 0.000 0.449 80 L N 1.141 122.506 121.223 0.238 0.000 2.351 80 L HA -0.178 4.163 4.340 0.001 0.000 0.220 80 L C 1.081 178.131 176.870 0.299 0.000 1.127 80 L CA 1.642 56.601 54.840 0.199 0.000 0.786 80 L CB -0.726 41.453 42.059 0.199 0.000 0.914 80 L HN 0.227 nan 8.230 nan 0.000 0.443 81 N N 0.263 119.182 118.700 0.366 0.000 2.290 81 N HA -0.116 4.625 4.740 0.001 0.000 0.179 81 N C 1.621 177.421 175.510 0.483 0.000 1.016 81 N CA 0.820 54.153 53.050 0.471 0.000 0.871 81 N CB 0.001 38.661 38.487 0.289 0.000 0.987 81 N HN 0.426 nan 8.380 nan 0.000 0.431 82 K N 1.011 121.591 120.400 0.301 0.000 2.211 82 K HA -0.034 4.287 4.320 0.001 0.000 0.203 82 K C 1.426 178.136 176.600 0.183 0.000 1.050 82 K CA 0.849 57.274 56.287 0.230 0.000 0.945 82 K CB 0.066 32.648 32.500 0.136 0.000 0.732 82 K HN 0.313 nan 8.250 nan 0.000 0.451 83 R N 0.354 120.960 120.500 0.176 0.000 2.359 83 R HA 0.063 4.404 4.340 0.001 0.000 0.231 83 R C 0.743 177.110 176.300 0.113 0.000 0.913 83 R CA 0.773 56.934 56.100 0.102 0.000 1.075 83 R CB 0.077 30.406 30.300 0.048 0.000 1.087 83 R HN 0.051 nan 8.270 nan 0.000 0.515 84 T N -3.706 110.994 114.554 0.243 0.000 3.170 84 T HA 0.021 4.371 4.350 0.001 0.000 0.288 84 T C 1.420 176.146 174.700 0.043 0.000 0.992 84 T CA -0.448 61.811 62.100 0.265 0.000 0.909 84 T CB 0.694 69.895 68.868 0.555 0.000 1.133 84 T HN 0.153 nan 8.240 nan 0.000 0.530 85 Q N 1.708 121.397 119.800 -0.186 0.000 2.112 85 Q HA -0.263 4.078 4.340 0.001 0.000 0.206 85 Q C 1.803 177.201 176.000 -1.004 0.000 0.987 85 Q CA 2.409 57.563 55.803 -1.082 0.000 0.858 85 Q CB -0.400 28.014 28.738 -0.540 0.000 0.905 85 Q HN 0.576 nan 8.270 nan 0.000 0.420 86 D N -0.718 119.420 120.400 -0.437 0.000 2.116 86 D HA -0.232 4.409 4.640 0.001 0.000 0.193 86 D C 1.523 177.654 176.300 -0.282 0.000 0.998 86 D CA 1.645 55.471 54.000 -0.290 0.000 0.836 86 D CB -0.345 40.379 40.800 -0.128 0.000 0.951 86 D HN 0.403 nan 8.370 nan 0.000 0.449 87 F N 0.711 120.464 119.950 -0.327 0.000 2.069 87 F HA -0.166 4.361 4.527 0.001 0.000 0.298 87 F C 1.979 177.658 175.800 -0.200 0.000 1.113 87 F CA 2.242 60.115 58.000 -0.213 0.000 1.214 87 F CB -0.536 38.404 39.000 -0.100 0.000 0.978 87 F HN 0.294 nan 8.300 nan 0.000 0.474 88 W N 0.257 121.462 121.300 -0.158 0.000 2.863 88 W HA 0.136 4.796 4.660 0.001 0.000 0.258 88 W C 1.670 178.060 176.519 -0.214 0.000 1.298 88 W CA 0.766 57.924 57.345 -0.312 0.000 1.451 88 W CB -1.007 28.321 29.460 -0.220 0.000 1.107 88 W HN 0.315 nan 8.180 nan 0.000 0.641 89 E N 1.351 121.340 120.200 -0.351 0.000 2.251 89 E HA -0.051 4.300 4.350 0.001 0.000 0.194 89 E C 1.699 178.214 176.600 -0.142 0.000 0.964 89 E CA 0.602 56.913 56.400 -0.147 0.000 0.868 89 E CB 0.213 29.676 29.700 -0.395 0.000 0.828 89 E HN 0.016 nan 8.360 nan 0.000 0.481 90 V N 1.118 120.896 119.914 -0.227 0.000 2.607 90 V HA -0.105 4.016 4.120 0.001 0.000 0.228 90 V C 2.320 178.318 176.094 -0.160 0.000 1.106 90 V CA 1.059 63.262 62.300 -0.162 0.000 1.141 90 V CB -0.744 30.982 31.823 -0.162 0.000 0.808 90 V HN 0.201 nan 8.190 nan 0.000 0.501 91 Q N 0.168 119.844 119.800 -0.206 0.000 2.014 91 Q HA -0.151 4.190 4.340 0.001 0.000 0.207 91 Q C 1.444 177.300 176.000 -0.240 0.000 0.993 91 Q CA 1.629 57.306 55.803 -0.211 0.000 0.850 91 Q CB -0.183 28.410 28.738 -0.240 0.000 0.916 91 Q HN 0.441 nan 8.270 nan 0.000 0.417 92 L N 1.161 122.165 121.223 -0.365 0.000 3.073 92 L HA 0.302 4.642 4.340 0.001 0.000 0.242 92 L C 0.532 177.284 176.870 -0.196 0.000 1.317 92 L CA -0.806 53.846 54.840 -0.313 0.000 1.081 92 L CB 0.417 42.181 42.059 -0.491 0.000 1.456 92 L HN 0.083 nan 8.230 nan 0.000 0.525 93 G N 0.602 109.330 108.800 -0.120 0.000 2.614 93 G HA2 0.261 4.222 3.960 0.001 0.000 0.239 93 G HA3 0.261 4.222 3.960 0.001 0.000 0.239 93 G C -0.638 174.263 174.900 0.001 0.000 1.240 93 G CA -0.173 44.914 45.100 -0.022 0.000 0.842 93 G HN 0.237 nan 8.290 nan 0.000 0.584 94 I N 2.388 122.993 120.570 0.057 0.000 2.447 94 I HA 0.359 4.530 4.170 0.001 0.000 0.287 94 I C -1.734 174.485 176.117 0.170 0.000 1.023 94 I CA -2.527 58.818 61.300 0.075 0.000 1.083 94 I CB 2.172 40.190 38.000 0.031 0.000 1.245 94 I HN 0.425 nan 8.210 nan 0.000 0.434 95 P HA 0.035 nan 4.420 nan 0.000 0.267 95 P C -1.389 176.104 177.300 0.321 0.000 1.200 95 P CA 0.237 63.454 63.100 0.195 0.000 0.772 95 P CB 0.499 32.269 31.700 0.115 0.000 0.855 96 H N 3.096 122.242 119.070 0.127 0.000 2.638 96 H HA 0.347 4.903 4.556 0.001 0.000 0.303 96 H C -2.092 173.162 175.328 -0.122 0.000 1.034 96 H CA -2.138 53.892 56.048 -0.031 0.000 1.225 96 H CB 0.423 30.140 29.762 -0.075 0.000 1.394 96 H HN 0.231 nan 8.280 nan 0.000 0.477 97 P HA 0.119 nan 4.420 nan 0.000 0.270 97 P C -0.060 176.794 177.300 -0.743 0.000 1.242 97 P CA -0.258 62.552 63.100 -0.482 0.000 0.768 97 P CB 1.079 32.618 31.700 -0.268 0.000 0.820 98 A N 3.150 125.687 122.820 -0.472 0.000 2.359 98 A HA 0.310 4.630 4.320 0.001 0.000 0.240 98 A C 1.764 179.195 177.584 -0.255 0.000 1.306 98 A CA 0.642 52.456 52.037 -0.372 0.000 0.898 98 A CB -0.667 18.220 19.000 -0.188 0.000 0.956 98 A HN 0.623 nan 8.150 nan 0.000 0.497 99 G N -0.821 107.830 108.800 -0.248 0.000 2.673 99 G HA2 0.128 4.088 3.960 0.001 0.000 0.208 99 G HA3 0.128 4.088 3.960 0.001 0.000 0.208 99 G C 1.234 176.028 174.900 -0.177 0.000 1.128 99 G CA 0.611 45.609 45.100 -0.170 0.000 0.805 99 G HN 0.394 nan 8.290 nan 0.000 0.526 100 L N 2.125 123.221 121.223 -0.212 0.000 2.051 100 L HA -0.143 4.198 4.340 0.001 0.000 0.214 100 L C 2.761 179.506 176.870 -0.209 0.000 1.076 100 L CA 2.640 57.370 54.840 -0.183 0.000 0.758 100 L CB -0.448 41.488 42.059 -0.204 0.000 0.890 100 L HN 0.440 nan 8.230 nan 0.000 0.433 101 K N -0.925 119.332 120.400 -0.237 0.000 2.442 101 K HA -0.183 4.138 4.320 0.001 0.000 0.198 101 K C 1.569 178.023 176.600 -0.243 0.000 1.044 101 K CA 1.561 57.696 56.287 -0.253 0.000 0.948 101 K CB -0.207 32.148 32.500 -0.243 0.000 0.762 101 K HN 0.398 nan 8.250 nan 0.000 0.472 102 K N 0.229 120.511 120.400 -0.197 0.000 2.354 102 K HA 0.113 4.434 4.320 0.001 0.000 0.194 102 K C -0.010 176.498 176.600 -0.153 0.000 1.045 102 K CA -0.230 55.961 56.287 -0.160 0.000 1.026 102 K CB 0.420 32.849 32.500 -0.118 0.000 0.866 102 K HN -0.100 nan 8.250 nan 0.000 0.530 103 K N 1.661 121.968 120.400 -0.156 0.000 2.380 103 K HA 0.003 4.324 4.320 0.001 0.000 0.267 103 K C 1.022 177.533 176.600 -0.149 0.000 0.990 103 K CA 0.203 56.415 56.287 -0.125 0.000 0.946 103 K CB 0.466 32.912 32.500 -0.091 0.000 0.937 103 K HN -0.255 nan 8.250 nan 0.000 0.491 104 K N 0.322 120.657 120.400 -0.109 0.000 2.148 104 K HA 0.039 4.360 4.320 0.001 0.000 0.204 104 K C -0.278 176.271 176.600 -0.084 0.000 1.050 104 K CA 0.968 57.195 56.287 -0.100 0.000 0.942 104 K CB 0.295 32.749 32.500 -0.076 0.000 0.724 104 K HN 0.506 nan 8.250 nan 0.000 0.446 105 S N -0.548 115.060 115.700 -0.153 0.000 2.546 105 S HA 0.462 4.933 4.470 0.001 0.000 0.272 105 S C -1.305 173.150 174.600 -0.242 0.000 1.140 105 S CA -0.836 57.203 58.200 -0.269 0.000 0.920 105 S CB 2.668 65.557 63.200 -0.518 0.000 1.083 105 S HN -0.106 nan 8.310 nan 0.000 0.476 106 V N 2.467 122.242 119.914 -0.232 0.000 2.709 106 V HA 0.801 4.922 4.120 0.001 0.000 0.308 106 V C -0.222 175.831 176.094 -0.069 0.000 1.062 106 V CA -0.753 61.518 62.300 -0.048 0.000 0.901 106 V CB 2.162 33.973 31.823 -0.020 0.000 1.003 106 V HN 1.017 nan 8.190 nan 0.000 0.425 107 T N 0.658 115.242 114.554 0.049 0.000 2.893 107 T HA 0.802 5.152 4.350 0.001 0.000 0.291 107 T C -0.895 173.800 174.700 -0.008 0.000 1.028 107 T CA -0.770 61.301 62.100 -0.047 0.000 0.995 107 T CB 1.830 70.771 68.868 0.123 0.000 1.051 107 T HN 0.343 nan 8.240 nan 0.000 0.470 108 V N 3.480 123.400 119.914 0.010 0.000 2.398 108 V HA 0.497 4.617 4.120 0.001 0.000 0.286 108 V C -0.190 175.900 176.094 -0.006 0.000 1.026 108 V CA -0.816 61.386 62.300 -0.164 0.000 0.868 108 V CB 1.006 32.635 31.823 -0.323 0.000 0.982 108 V HN 0.806 nan 8.190 nan 0.000 0.443 109 L N 3.170 124.318 121.223 -0.125 0.000 2.334 109 L HA 0.548 4.889 4.340 0.001 0.000 0.273 109 L C -0.269 176.511 176.870 -0.151 0.000 1.013 109 L CA -0.612 54.159 54.840 -0.114 0.000 0.816 109 L CB 1.888 43.880 42.059 -0.110 0.000 1.278 109 L HN 0.573 nan 8.230 nan 0.000 0.431 110 D N 1.243 121.550 120.400 -0.155 0.000 2.522 110 D HA 0.178 4.819 4.640 0.001 0.000 0.218 110 D C 0.684 176.861 176.300 -0.205 0.000 1.149 110 D CA -0.352 53.549 54.000 -0.166 0.000 0.981 110 D CB 0.882 41.588 40.800 -0.156 0.000 1.041 110 D HN 0.298 nan 8.370 nan 0.000 0.518 111 V N 1.464 121.224 119.914 -0.256 0.000 3.577 111 V HA 0.334 4.454 4.120 0.001 0.000 0.294 111 V C 1.949 177.670 176.094 -0.622 0.000 1.317 111 V CA 0.485 62.563 62.300 -0.370 0.000 1.169 111 V CB 0.007 31.617 31.823 -0.356 0.000 1.011 111 V HN 0.407 nan 8.190 nan 0.000 0.426 112 G N 0.965 109.462 108.800 -0.504 0.000 2.485 112 G HA2 -0.354 3.607 3.960 0.001 0.000 0.221 112 G HA3 -0.354 3.607 3.960 0.001 0.000 0.221 112 G C 1.141 175.588 174.900 -0.754 0.000 1.115 112 G CA 1.242 45.984 45.100 -0.597 0.000 0.751 112 G HN 0.597 nan 8.290 nan 0.000 0.567 113 D N 0.941 121.026 120.400 -0.525 0.000 2.123 113 D HA -0.030 4.610 4.640 0.001 0.000 0.196 113 D C 2.708 178.737 176.300 -0.451 0.000 0.992 113 D CA 1.363 55.132 54.000 -0.386 0.000 0.833 113 D CB -0.455 40.284 40.800 -0.102 0.000 0.954 113 D HN 0.244 nan 8.370 nan 0.000 0.455 114 A N -0.629 121.829 122.820 -0.603 0.000 2.042 114 A HA -0.227 4.094 4.320 0.001 0.000 0.222 114 A C 1.852 178.941 177.584 -0.825 0.000 1.167 114 A CA 1.474 53.115 52.037 -0.661 0.000 0.649 114 A CB -1.134 17.350 19.000 -0.860 0.000 0.809 114 A HN 0.412 nan 8.150 nan 0.000 0.457 115 Y N -1.593 118.233 120.300 -0.790 0.000 2.373 115 Y HA -0.047 4.504 4.550 0.002 0.000 0.293 115 Y C 1.810 177.627 175.900 -0.138 0.000 1.129 115 Y CA 0.168 57.922 58.100 -0.577 0.000 1.226 115 Y CB -0.960 37.194 38.460 -0.509 0.000 1.000 115 Y HN 0.323 nan 8.280 nan 0.000 0.549 116 F N -0.145 119.859 119.950 0.090 0.000 2.449 116 F HA -0.189 4.338 4.527 0.001 0.000 0.299 116 F C 2.239 178.128 175.800 0.149 0.000 1.092 116 F CA 0.771 58.852 58.000 0.134 0.000 1.446 116 F CB -1.075 37.989 39.000 0.107 0.000 1.084 116 F HN -0.042 nan 8.300 nan 0.000 0.567 117 S N -0.696 115.197 115.700 0.320 0.000 2.357 117 S HA -0.026 4.445 4.470 0.001 0.000 0.221 117 S C 0.996 175.774 174.600 0.296 0.000 1.031 117 S CA 0.345 58.726 58.200 0.303 0.000 0.982 117 S CB -0.277 63.132 63.200 0.349 0.000 0.853 117 S HN -0.032 nan 8.310 nan 0.000 0.458 118 V N 5.033 125.155 119.914 0.347 0.000 2.715 118 V HA 0.208 4.329 4.120 0.001 0.000 0.299 118 V C -2.000 174.241 176.094 0.244 0.000 1.054 118 V CA -1.667 60.804 62.300 0.285 0.000 1.077 118 V CB 0.524 32.541 31.823 0.323 0.000 0.972 118 V HN 0.268 nan 8.190 nan 0.000 0.484 119 P HA 0.336 nan 4.420 nan 0.000 0.282 119 P C -0.810 176.599 177.300 0.181 0.000 1.259 119 P CA -0.536 62.673 63.100 0.182 0.000 0.826 119 P CB 1.612 33.398 31.700 0.143 0.000 1.064 120 L N 1.572 122.907 121.223 0.187 0.000 2.343 120 L HA 0.299 4.640 4.340 0.001 0.000 0.275 120 L C 0.462 177.423 176.870 0.152 0.000 1.056 120 L CA -0.733 54.219 54.840 0.187 0.000 0.804 120 L CB 1.059 43.249 42.059 0.217 0.000 1.203 120 L HN 0.383 nan 8.230 nan 0.000 0.440 121 D N 2.448 122.929 120.400 0.135 0.000 2.487 121 D HA -0.121 4.519 4.640 0.001 0.000 0.243 121 D C 0.963 177.341 176.300 0.130 0.000 1.154 121 D CA 0.296 54.365 54.000 0.114 0.000 0.876 121 D CB 1.163 42.012 40.800 0.082 0.000 1.161 121 D HN 0.562 nan 8.370 nan 0.000 0.478 122 E N 2.959 123.218 120.200 0.098 0.000 2.108 122 E HA -0.278 4.073 4.350 0.001 0.000 0.203 122 E C 0.879 177.521 176.600 0.069 0.000 1.022 122 E CA 2.145 58.592 56.400 0.077 0.000 0.823 122 E CB -0.106 29.628 29.700 0.057 0.000 0.744 122 E HN 0.624 nan 8.360 nan 0.000 0.456 123 D N -1.072 119.380 120.400 0.086 0.000 2.144 123 D HA -0.126 4.514 4.640 0.001 0.000 0.200 123 D C 1.463 177.825 176.300 0.104 0.000 0.978 123 D CA 0.824 54.871 54.000 0.078 0.000 0.833 123 D CB -0.396 40.466 40.800 0.103 0.000 0.961 123 D HN 0.265 nan 8.370 nan 0.000 0.470 124 F N 1.263 121.221 119.950 0.014 0.000 2.661 124 F HA 0.089 4.616 4.527 0.001 0.000 0.298 124 F C 1.923 177.715 175.800 -0.012 0.000 1.137 124 F CA 0.415 58.450 58.000 0.058 0.000 1.454 124 F CB 0.153 39.104 39.000 -0.082 0.000 1.103 124 F HN -0.212 nan 8.300 nan 0.000 0.577 125 R N 0.925 121.440 120.500 0.025 0.000 2.083 125 R HA -0.211 4.129 4.340 0.001 0.000 0.237 125 R C 2.240 178.452 176.300 -0.148 0.000 1.137 125 R CA 1.972 58.061 56.100 -0.019 0.000 0.951 125 R CB -0.578 29.745 30.300 0.039 0.000 0.851 125 R HN 0.362 nan 8.270 nan 0.000 0.434 126 K N -0.173 120.068 120.400 -0.265 0.000 2.362 126 K HA -0.188 4.132 4.320 0.001 0.000 0.202 126 K C 1.064 177.412 176.600 -0.420 0.000 1.045 126 K CA 1.608 57.707 56.287 -0.314 0.000 0.936 126 K CB -0.258 32.029 32.500 -0.355 0.000 0.747 126 K HN 0.260 nan 8.250 nan 0.000 0.467 127 Y N 2.160 122.154 120.300 -0.510 0.000 2.519 127 Y HA -0.019 4.531 4.550 0.001 0.000 0.287 127 Y C 2.194 177.924 175.900 -0.283 0.000 1.128 127 Y CA 1.119 58.834 58.100 -0.642 0.000 1.282 127 Y CB 0.030 37.802 38.460 -1.147 0.000 1.027 127 Y HN 0.288 nan 8.280 nan 0.000 0.551 128 T N -2.297 112.250 114.554 -0.011 0.000 3.144 128 T HA 0.435 4.786 4.350 0.001 0.000 0.249 128 T C 0.898 175.891 174.700 0.489 0.000 1.089 128 T CA 0.022 62.326 62.100 0.340 0.000 0.989 128 T CB -0.583 68.494 68.868 0.348 0.000 0.992 128 T HN 0.189 nan 8.240 nan 0.000 0.540 129 A N 1.909 124.886 122.820 0.261 0.000 2.565 129 A HA 0.502 4.823 4.320 0.001 0.000 0.237 129 A C 0.000 177.752 177.584 0.279 0.000 1.053 129 A CA -0.329 51.815 52.037 0.179 0.000 0.755 129 A CB -0.626 18.431 19.000 0.096 0.000 0.980 129 A HN 0.760 nan 8.150 nan 0.000 0.506 130 F N -0.595 119.418 119.950 0.105 0.000 2.629 130 F HA 0.827 5.355 4.527 0.001 0.000 0.316 130 F C -0.317 175.509 175.800 0.043 0.000 1.081 130 F CA -0.844 57.186 58.000 0.051 0.000 0.954 130 F CB 1.566 40.582 39.000 0.027 0.000 1.337 130 F HN 0.302 nan 8.300 nan 0.000 0.474 131 T N 2.794 117.487 114.554 0.231 0.000 2.879 131 T HA 0.527 4.878 4.350 0.001 0.000 0.290 131 T C -0.571 174.206 174.700 0.128 0.000 0.993 131 T CA -0.376 61.783 62.100 0.097 0.000 0.975 131 T CB 1.231 70.109 68.868 0.018 0.000 0.981 131 T HN 0.559 nan 8.240 nan 0.000 0.439 132 I N 6.604 127.256 120.570 0.137 0.000 2.371 132 I HA 0.293 4.464 4.170 0.001 0.000 0.290 132 I C -1.645 174.484 176.117 0.019 0.000 1.028 132 I CA -2.070 59.287 61.300 0.094 0.000 1.345 132 I CB 1.352 39.440 38.000 0.146 0.000 1.407 132 I HN 0.360 nan 8.210 nan 0.000 0.501 133 P HA 0.188 nan 4.420 nan 0.000 0.279 133 P C -1.016 176.270 177.300 -0.023 0.000 1.276 133 P CA -0.432 62.653 63.100 -0.025 0.000 0.801 133 P CB 1.335 33.013 31.700 -0.038 0.000 1.127 134 S N -0.294 115.392 115.700 -0.023 0.000 2.521 134 S HA 0.497 4.967 4.470 0.001 0.000 0.295 134 S C 0.197 174.784 174.600 -0.023 0.000 1.098 134 S CA -0.970 57.216 58.200 -0.024 0.000 0.999 134 S CB 0.414 63.600 63.200 -0.023 0.000 1.034 134 S HN 0.288 nan 8.310 nan 0.000 0.483 135 I N 2.907 123.462 120.570 -0.025 0.000 2.752 135 I HA 0.017 4.187 4.170 0.001 0.000 0.289 135 I C 1.222 177.328 176.117 -0.018 0.000 1.197 135 I CA 0.295 61.582 61.300 -0.022 0.000 1.432 135 I CB -0.472 37.513 38.000 -0.024 0.000 1.359 135 I HN 1.016 nan 8.210 nan 0.000 0.571 136 N N 5.106 123.798 118.700 -0.015 0.000 2.693 136 N HA -0.277 4.464 4.740 0.001 0.000 0.249 136 N C 0.097 175.599 175.510 -0.013 0.000 1.119 136 N CA 1.187 54.230 53.050 -0.013 0.000 0.717 136 N CB -0.998 37.481 38.487 -0.012 0.000 1.071 136 N HN 0.855 nan 8.380 nan 0.000 0.555 137 N N -0.883 117.808 118.700 -0.015 0.000 2.721 137 N HA -0.269 4.472 4.740 0.001 0.000 0.249 137 N C 0.760 176.260 175.510 -0.018 0.000 1.072 137 N CA 1.215 54.256 53.050 -0.016 0.000 0.710 137 N CB -1.140 37.339 38.487 -0.014 0.000 0.993 137 N HN 0.820 nan 8.380 nan 0.000 0.547 138 E N 0.235 120.424 120.200 -0.019 0.000 2.160 138 E HA -0.144 4.207 4.350 0.001 0.000 0.195 138 E C 0.631 177.217 176.600 -0.022 0.000 0.991 138 E CA 1.443 57.831 56.400 -0.019 0.000 0.810 138 E CB 0.254 29.942 29.700 -0.019 0.000 0.742 138 E HN 0.430 nan 8.360 nan 0.000 0.466 139 T N -0.164 114.376 114.554 -0.024 0.000 2.894 139 T HA 0.376 4.727 4.350 0.001 0.000 0.309 139 T C -2.846 171.835 174.700 -0.032 0.000 1.208 139 T CA -1.959 60.124 62.100 -0.029 0.000 1.016 139 T CB 1.888 70.737 68.868 -0.032 0.000 1.192 139 T HN -0.117 nan 8.240 nan 0.000 0.491 140 P HA 0.310 nan 4.420 nan 0.000 0.272 140 P C 0.407 177.678 177.300 -0.048 0.000 1.240 140 P CA -0.110 62.965 63.100 -0.041 0.000 0.791 140 P CB 0.015 31.687 31.700 -0.047 0.000 0.978 141 G N 1.120 109.892 108.800 -0.048 0.000 2.340 141 G HA2 0.287 4.248 3.960 0.001 0.000 0.245 141 G HA3 0.287 4.248 3.960 0.001 0.000 0.245 141 G C 0.100 174.949 174.900 -0.085 0.000 1.294 141 G CA -0.550 44.519 45.100 -0.051 0.000 0.896 141 G HN 0.403 nan 8.290 nan 0.000 0.522 142 I N 2.920 123.437 120.570 -0.090 0.000 2.352 142 I HA 0.233 4.404 4.170 0.001 0.000 0.290 142 I C 0.571 176.535 176.117 -0.256 0.000 1.036 142 I CA -0.359 60.827 61.300 -0.190 0.000 1.336 142 I CB 0.749 38.659 38.000 -0.150 0.000 1.407 142 I HN 0.299 nan 8.210 nan 0.000 0.497 143 R N 6.248 126.523 120.500 -0.374 0.000 2.407 143 R HA 0.606 4.947 4.340 0.001 0.000 0.303 143 R C -1.447 174.489 176.300 -0.606 0.000 0.981 143 R CA -0.789 55.089 56.100 -0.369 0.000 0.905 143 R CB 1.630 31.786 30.300 -0.239 0.000 1.099 143 R HN 0.429 nan 8.270 nan 0.000 0.459 144 Y N 0.207 120.169 120.300 -0.563 0.000 2.581 144 Y HA 0.244 4.795 4.550 0.001 0.000 0.345 144 Y C -0.072 175.437 175.900 -0.652 0.000 1.036 144 Y CA -0.903 56.797 58.100 -0.666 0.000 1.042 144 Y CB 2.451 40.309 38.460 -1.003 0.000 1.289 144 Y HN 0.516 nan 8.280 nan 0.000 0.471 145 Q N 0.118 119.800 119.800 -0.196 0.000 2.456 145 Q HA 0.548 4.888 4.340 0.001 0.000 0.284 145 Q C -2.087 173.924 176.000 0.019 0.000 1.061 145 Q CA -1.107 54.670 55.803 -0.044 0.000 0.799 145 Q CB 2.209 30.945 28.738 -0.002 0.000 1.445 145 Q HN 0.649 nan 8.270 nan 0.000 0.411 146 Y N 1.038 121.439 120.300 0.169 0.000 2.304 146 Y HA 0.220 4.771 4.550 0.001 0.000 0.327 146 Y C 0.617 176.595 175.900 0.130 0.000 1.209 146 Y CA 0.386 58.599 58.100 0.189 0.000 1.299 146 Y CB 1.300 39.919 38.460 0.264 0.000 1.249 146 Y HN 0.798 nan 8.280 nan 0.000 0.519 147 N N 0.098 118.980 118.700 0.303 0.000 2.181 147 N HA 0.151 4.892 4.740 0.001 0.000 0.207 147 N C -0.959 174.698 175.510 0.245 0.000 1.182 147 N CA -0.032 53.144 53.050 0.210 0.000 0.893 147 N CB 1.042 39.609 38.487 0.133 0.000 1.032 147 N HN 0.338 nan 8.380 nan 0.000 0.513 148 V N -2.053 118.068 119.914 0.345 0.000 3.164 148 V HA 0.508 4.629 4.120 0.001 0.000 0.313 148 V C -0.193 176.105 176.094 0.340 0.000 1.188 148 V CA -1.192 61.311 62.300 0.338 0.000 1.058 148 V CB 1.337 33.393 31.823 0.388 0.000 1.110 148 V HN -0.111 nan 8.190 nan 0.000 0.453 149 L N 3.461 124.859 121.223 0.291 0.000 2.513 149 L HA 0.302 4.643 4.340 0.001 0.000 0.272 149 L C -1.826 175.130 176.870 0.143 0.000 1.187 149 L CA -0.907 54.051 54.840 0.196 0.000 0.895 149 L CB 0.638 42.770 42.059 0.122 0.000 1.147 149 L HN 0.637 nan 8.230 nan 0.000 0.483 150 P HA 0.220 nan 4.420 nan 0.000 0.310 150 P C -1.419 175.788 177.300 -0.156 0.000 1.309 150 P CA -0.719 62.202 63.100 -0.299 0.000 0.769 150 P CB 1.031 32.197 31.700 -0.888 0.000 1.327 151 Q N -1.541 118.229 119.800 -0.050 0.000 2.312 151 Q HA 0.528 4.869 4.340 0.001 0.000 0.263 151 Q C 0.486 176.606 176.000 0.200 0.000 0.995 151 Q CA -0.278 55.545 55.803 0.034 0.000 0.853 151 Q CB 1.491 30.250 28.738 0.035 0.000 1.300 151 Q HN 0.869 nan 8.270 nan 0.000 0.448 152 G N 1.392 110.293 108.800 0.168 0.000 2.284 152 G HA2 -0.239 3.722 3.960 0.001 0.000 0.216 152 G HA3 -0.239 3.722 3.960 0.001 0.000 0.216 152 G C -0.656 174.418 174.900 0.291 0.000 1.009 152 G CA -0.293 44.994 45.100 0.311 0.000 0.625 152 G HN 0.612 nan 8.290 nan 0.000 0.501 153 W N 3.016 124.227 121.300 -0.149 0.000 2.238 153 W HA 0.707 5.367 4.660 0.001 0.000 0.321 153 W C 1.100 177.414 176.519 -0.342 0.000 1.293 153 W CA -0.524 56.622 57.345 -0.331 0.000 1.204 153 W CB 0.785 29.887 29.460 -0.597 0.000 1.167 153 W HN 0.075 nan 8.180 nan 0.000 0.553 154 K N 3.003 123.005 120.400 -0.663 0.000 2.362 154 K HA -0.035 4.285 4.320 0.001 0.000 0.200 154 K C 2.031 177.900 176.600 -1.219 0.000 1.046 154 K CA 1.146 56.788 56.287 -1.075 0.000 0.952 154 K CB -0.108 31.357 32.500 -1.726 0.000 0.753 154 K HN 0.764 nan 8.250 nan 0.000 0.466 155 G N 0.326 107.885 108.800 -2.068 0.000 2.394 155 G HA2 -0.201 3.759 3.960 0.001 0.000 0.214 155 G HA3 -0.201 3.759 3.960 0.001 0.000 0.214 155 G C 1.445 175.634 174.900 -1.185 0.000 1.176 155 G CA 0.547 44.511 45.100 -1.892 0.000 0.786 155 G HN 0.166 nan 8.290 nan 0.000 0.533 156 S N 1.689 116.731 115.700 -1.097 0.000 2.368 156 S HA -0.131 4.340 4.470 0.001 0.000 0.226 156 S C 0.218 174.251 174.600 -0.944 0.000 1.044 156 S CA 1.835 59.573 58.200 -0.770 0.000 1.062 156 S CB -0.927 61.810 63.200 -0.771 0.000 0.931 156 S HN 0.472 nan 8.310 nan 0.000 0.440 157 P HA 0.168 nan 4.420 nan 0.000 0.237 157 P C 0.712 177.858 177.300 -0.256 0.000 1.178 157 P CA 0.951 63.717 63.100 -0.555 0.000 0.766 157 P CB 0.065 31.545 31.700 -0.368 0.000 0.876 158 A N -0.314 122.312 122.820 -0.323 0.000 1.997 158 A HA 0.119 4.439 4.320 0.001 0.000 0.212 158 A C 2.185 179.688 177.584 -0.134 0.000 1.178 158 A CA 0.336 52.248 52.037 -0.210 0.000 0.698 158 A CB -0.939 17.917 19.000 -0.241 0.000 0.842 158 A HN 0.067 nan 8.150 nan 0.000 0.458 159 I N -1.963 118.544 120.570 -0.105 0.000 2.406 159 I HA -0.106 4.065 4.170 0.001 0.000 0.249 159 I C 2.149 178.302 176.117 0.060 0.000 1.122 159 I CA 1.017 62.321 61.300 0.007 0.000 1.431 159 I CB -0.172 37.864 38.000 0.059 0.000 1.087 159 I HN 0.373 nan 8.210 nan 0.000 0.424 160 F N 1.568 121.482 119.950 -0.060 0.000 2.407 160 F HA -0.184 4.344 4.527 0.001 0.000 0.299 160 F C 2.544 178.349 175.800 0.008 0.000 1.097 160 F CA 1.187 59.208 58.000 0.035 0.000 1.422 160 F CB -0.299 38.828 39.000 0.212 0.000 1.067 160 F HN 0.065 nan 8.300 nan 0.000 0.539 161 Q N -0.231 119.608 119.800 0.065 0.000 2.197 161 Q HA -0.268 4.073 4.340 0.001 0.000 0.211 161 Q C 2.163 178.099 176.000 -0.108 0.000 0.993 161 Q CA 2.203 57.999 55.803 -0.012 0.000 0.883 161 Q CB -0.216 28.505 28.738 -0.028 0.000 0.916 161 Q HN 0.397 nan 8.270 nan 0.000 0.418 162 S N -0.164 115.449 115.700 -0.145 0.000 2.368 162 S HA -0.096 4.375 4.470 0.001 0.000 0.224 162 S C 2.007 176.465 174.600 -0.237 0.000 1.029 162 S CA 1.228 59.337 58.200 -0.153 0.000 0.988 162 S CB -0.075 63.054 63.200 -0.119 0.000 0.838 162 S HN 0.394 nan 8.310 nan 0.000 0.462 163 S N 1.403 116.844 115.700 -0.432 0.000 2.371 163 S HA -0.005 4.465 4.470 0.001 0.000 0.224 163 S C 1.878 176.172 174.600 -0.511 0.000 1.029 163 S CA 1.039 58.896 58.200 -0.572 0.000 0.978 163 S CB -0.343 62.216 63.200 -1.070 0.000 0.833 163 S HN 0.315 nan 8.310 nan 0.000 0.466 164 M N 2.407 121.730 119.600 -0.462 0.000 2.080 164 M HA -0.111 4.369 4.480 0.001 0.000 0.260 164 M C 1.997 178.196 176.300 -0.169 0.000 1.068 164 M CA 1.644 56.846 55.300 -0.164 0.000 1.109 164 M CB -1.538 31.107 32.600 0.075 0.000 1.342 164 M HN 0.255 nan 8.290 nan 0.000 0.405 165 T N 0.828 115.299 114.554 -0.139 0.000 2.570 165 T HA -0.254 4.097 4.350 0.001 0.000 0.266 165 T C 1.745 176.371 174.700 -0.123 0.000 1.071 165 T CA 2.205 64.245 62.100 -0.099 0.000 1.172 165 T CB -0.397 68.426 68.868 -0.075 0.000 0.864 165 T HN 0.430 nan 8.240 nan 0.000 0.421 166 K N 0.445 120.757 120.400 -0.147 0.000 1.988 166 K HA -0.131 4.189 4.320 0.001 0.000 0.221 166 K C 2.222 178.677 176.600 -0.242 0.000 1.053 166 K CA 1.710 57.914 56.287 -0.139 0.000 0.959 166 K CB -0.675 31.752 32.500 -0.121 0.000 0.728 166 K HN 0.136 nan 8.250 nan 0.000 0.447 167 I N 1.327 121.591 120.570 -0.510 0.000 2.182 167 I HA -0.299 3.872 4.170 0.001 0.000 0.248 167 I C 2.014 177.880 176.117 -0.419 0.000 1.073 167 I CA 1.614 62.388 61.300 -0.878 0.000 1.335 167 I CB -0.301 37.173 38.000 -0.876 0.000 1.031 167 I HN 0.194 nan 8.210 nan 0.000 0.420 168 L N -0.737 120.319 121.223 -0.278 0.000 2.592 168 L HA 0.011 4.352 4.340 0.001 0.000 0.227 168 L C 2.113 178.941 176.870 -0.070 0.000 1.127 168 L CA 0.014 54.729 54.840 -0.209 0.000 0.884 168 L CB -0.244 41.709 42.059 -0.176 0.000 1.065 168 L HN 0.147 nan 8.230 nan 0.000 0.457 169 E N 1.542 121.725 120.200 -0.029 0.000 2.085 169 E HA -0.165 4.185 4.350 0.001 0.000 0.194 169 E C -0.598 176.049 176.600 0.078 0.000 0.994 169 E CA 1.594 58.011 56.400 0.029 0.000 0.801 169 E CB -0.845 28.876 29.700 0.033 0.000 0.743 169 E HN 0.284 nan 8.360 nan 0.000 0.453 170 P HA -0.107 nan 4.420 nan 0.000 0.223 170 P C 1.276 178.680 177.300 0.172 0.000 1.151 170 P CA 0.867 64.088 63.100 0.203 0.000 0.787 170 P CB -0.109 31.811 31.700 0.366 0.000 0.788 171 F N 1.417 121.318 119.950 -0.083 0.000 2.335 171 F HA 0.108 4.636 4.527 0.003 0.000 0.296 171 F C 2.110 177.867 175.800 -0.072 0.000 1.091 171 F CA 1.079 58.994 58.000 -0.142 0.000 1.399 171 F CB -0.101 38.645 39.000 -0.422 0.000 1.067 171 F HN -0.273 nan 8.300 nan 0.000 0.520 172 K N -0.010 120.471 120.400 0.136 0.000 2.296 172 K HA -0.073 4.248 4.320 0.001 0.000 0.200 172 K C 1.861 178.467 176.600 0.009 0.000 1.048 172 K CA 0.746 57.081 56.287 0.080 0.000 0.966 172 K CB 0.091 32.634 32.500 0.071 0.000 0.754 172 K HN 0.266 nan 8.250 nan 0.000 0.466 173 K N 0.753 121.156 120.400 0.005 0.000 2.021 173 K HA -0.137 4.184 4.320 0.001 0.000 0.205 173 K C 2.191 178.765 176.600 -0.043 0.000 1.047 173 K CA 1.004 57.287 56.287 -0.006 0.000 0.943 173 K CB 0.004 32.515 32.500 0.019 0.000 0.725 173 K HN 0.085 nan 8.250 nan 0.000 0.439 174 Q N 1.103 120.854 119.800 -0.083 0.000 2.224 174 Q HA -0.098 4.242 4.340 0.001 0.000 0.203 174 Q C -0.410 175.492 176.000 -0.165 0.000 0.970 174 Q CA 1.240 56.970 55.803 -0.122 0.000 0.865 174 Q CB 0.192 28.835 28.738 -0.158 0.000 0.922 174 Q HN 0.276 nan 8.270 nan 0.000 0.445 175 N N 0.970 119.540 118.700 -0.216 0.000 2.791 175 N HA 0.168 4.908 4.740 0.001 0.000 0.265 175 N C -2.426 173.037 175.510 -0.079 0.000 1.580 175 N CA -0.971 51.971 53.050 -0.181 0.000 0.809 175 N CB 1.589 39.882 38.487 -0.324 0.000 1.178 175 N HN 0.147 nan 8.380 nan 0.000 0.499 176 P HA -0.022 nan 4.420 nan 0.000 0.247 176 P C -0.489 176.810 177.300 -0.002 0.000 1.225 176 P CA 0.852 63.944 63.100 -0.013 0.000 0.768 176 P CB 0.426 32.117 31.700 -0.014 0.000 1.020 177 D N -0.314 120.085 120.400 -0.002 0.000 2.501 177 D HA 0.265 4.906 4.640 0.001 0.000 0.224 177 D C 0.676 176.993 176.300 0.029 0.000 1.202 177 D CA -0.016 53.989 54.000 0.008 0.000 0.829 177 D CB 0.944 41.745 40.800 0.001 0.000 1.023 177 D HN 0.285 nan 8.370 nan 0.000 0.499 178 I N 0.489 121.089 120.570 0.049 0.000 2.797 178 I HA 0.332 4.503 4.170 0.001 0.000 0.307 178 I C -0.236 175.929 176.117 0.081 0.000 1.033 178 I CA -1.099 60.252 61.300 0.085 0.000 1.071 178 I CB 2.677 40.762 38.000 0.141 0.000 1.255 178 I HN -0.392 nan 8.210 nan 0.000 0.445 179 V N 5.302 125.266 119.914 0.083 0.000 2.448 179 V HA 0.465 4.586 4.120 0.001 0.000 0.295 179 V C -0.262 175.899 176.094 0.112 0.000 1.025 179 V CA -0.612 61.733 62.300 0.075 0.000 0.859 179 V CB 1.852 33.695 31.823 0.034 0.000 0.988 179 V HN 0.353 nan 8.190 nan 0.000 0.431 180 I N 4.650 125.292 120.570 0.120 0.000 2.441 180 I HA 0.502 4.673 4.170 0.001 0.000 0.295 180 I C -0.954 175.303 176.117 0.234 0.000 0.994 180 I CA -0.691 60.693 61.300 0.140 0.000 1.144 180 I CB 1.614 39.653 38.000 0.065 0.000 1.314 180 I HN 0.690 nan 8.210 nan 0.000 0.445 181 Y N 4.997 125.381 120.300 0.141 0.000 2.421 181 Y HA 0.355 4.906 4.550 0.001 0.000 0.339 181 Y C -0.474 175.585 175.900 0.264 0.000 0.996 181 Y CA -0.904 57.299 58.100 0.172 0.000 1.046 181 Y CB 1.798 40.346 38.460 0.147 0.000 1.226 181 Y HN 0.627 nan 8.280 nan 0.000 0.445 182 Q N 6.005 125.560 119.800 -0.408 0.000 2.431 182 Q HA 0.278 4.618 4.340 0.001 0.000 0.249 182 Q C -2.177 173.602 176.000 -0.367 0.000 1.025 182 Q CA -0.717 54.946 55.803 -0.233 0.000 0.835 182 Q CB 0.686 29.362 28.738 -0.103 0.000 1.207 182 Q HN 0.726 nan 8.270 nan 0.000 0.490 183 Y N 6.405 126.608 120.300 -0.162 0.000 2.478 183 Y HA 0.295 4.846 4.550 0.001 0.000 0.329 183 Y C 0.295 176.263 175.900 0.113 0.000 0.967 183 Y CA -0.265 57.797 58.100 -0.064 0.000 1.255 183 Y CB 0.256 38.793 38.460 0.129 0.000 1.103 183 Y HN 0.988 nan 8.280 nan 0.000 0.497 184 M N 1.362 120.739 119.600 -0.373 0.000 7.319 184 M HA -0.466 4.014 4.480 0.001 0.000 0.313 184 M C 0.631 176.978 176.300 0.078 0.000 0.480 184 M CA 2.130 57.288 55.300 -0.237 0.000 1.311 184 M CB -0.688 31.740 32.600 -0.287 0.000 0.421 184 M HN 0.584 nan 8.290 nan 0.000 0.852 185 D N 0.866 121.346 120.400 0.134 0.000 2.351 185 D HA 0.018 4.659 4.640 0.001 0.000 0.216 185 D C -0.076 176.248 176.300 0.040 0.000 0.968 185 D CA 1.027 55.095 54.000 0.114 0.000 0.899 185 D CB -0.232 40.607 40.800 0.066 0.000 0.907 185 D HN 0.279 nan 8.370 nan 0.000 0.514 186 D N -0.254 120.237 120.400 0.152 0.000 2.332 186 D HA 0.444 5.084 4.640 0.001 0.000 0.252 186 D C -0.244 176.090 176.300 0.056 0.000 1.050 186 D CA -0.517 53.533 54.000 0.084 0.000 0.970 186 D CB 1.752 42.675 40.800 0.205 0.000 1.141 186 D HN -0.092 nan 8.370 nan 0.000 0.485 187 L N 1.814 122.977 121.223 -0.100 0.000 2.504 187 L HA 0.264 4.604 4.340 0.001 0.000 0.265 187 L C -1.630 175.188 176.870 -0.086 0.000 0.975 187 L CA -0.706 54.121 54.840 -0.022 0.000 0.864 187 L CB 0.594 42.604 42.059 -0.082 0.000 1.212 187 L HN 0.259 nan 8.230 nan 0.000 0.416 188 Y N 3.984 124.364 120.300 0.133 0.000 2.327 188 Y HA 0.463 5.013 4.550 0.001 0.000 0.336 188 Y C 0.125 176.093 175.900 0.114 0.000 1.035 188 Y CA -0.643 57.550 58.100 0.154 0.000 1.165 188 Y CB 1.545 40.146 38.460 0.235 0.000 1.181 188 Y HN 0.161 nan 8.280 nan 0.000 0.494 189 V N 3.436 123.451 119.914 0.169 0.000 2.378 189 V HA 0.737 4.858 4.120 0.001 0.000 0.288 189 V C 0.269 176.466 176.094 0.171 0.000 1.016 189 V CA -0.797 61.580 62.300 0.127 0.000 0.840 189 V CB 1.415 33.260 31.823 0.037 0.000 0.994 189 V HN 0.931 nan 8.190 nan 0.000 0.431 190 G N 2.937 111.831 108.800 0.157 0.000 2.452 190 G HA2 0.768 4.729 3.960 0.001 0.000 0.324 190 G HA3 0.768 4.729 3.960 0.001 0.000 0.324 190 G C -0.518 174.468 174.900 0.144 0.000 1.214 190 G CA -0.203 44.983 45.100 0.143 0.000 0.947 190 G HN 0.922 nan 8.290 nan 0.000 0.478 191 S N -0.085 115.717 115.700 0.169 0.000 2.638 191 S HA 0.561 5.032 4.470 0.001 0.000 0.274 191 S C -0.854 173.782 174.600 0.060 0.000 1.157 191 S CA -0.751 57.537 58.200 0.147 0.000 0.826 191 S CB 2.349 65.717 63.200 0.279 0.000 1.139 191 S HN 0.253 nan 8.310 nan 0.000 0.474 192 D N 0.166 120.593 120.400 0.044 0.000 2.398 192 D HA 0.356 4.997 4.640 0.001 0.000 0.210 192 D C 0.105 176.416 176.300 0.018 0.000 1.094 192 D CA -0.091 53.911 54.000 0.003 0.000 0.839 192 D CB -0.070 40.725 40.800 -0.009 0.000 0.963 192 D HN 0.262 nan 8.370 nan 0.000 0.506 193 L N 0.996 122.259 121.223 0.066 0.000 2.473 193 L HA 0.108 4.449 4.340 0.001 0.000 0.265 193 L C 0.904 177.809 176.870 0.057 0.000 1.243 193 L CA 0.078 54.963 54.840 0.074 0.000 0.822 193 L CB 0.184 42.317 42.059 0.123 0.000 1.101 193 L HN -0.147 nan 8.230 nan 0.000 0.507 194 E N 0.347 120.579 120.200 0.053 0.000 2.373 194 E HA 0.010 4.360 4.350 0.001 0.000 0.267 194 E C 0.933 177.579 176.600 0.075 0.000 1.032 194 E CA 0.033 56.456 56.400 0.038 0.000 0.889 194 E CB 0.445 30.162 29.700 0.029 0.000 0.984 194 E HN 0.391 nan 8.360 nan 0.000 0.425 195 I N 4.137 124.735 120.570 0.047 0.000 2.229 195 I HA -0.228 3.943 4.170 0.001 0.000 0.250 195 I C 1.624 177.819 176.117 0.130 0.000 1.096 195 I CA 2.595 63.943 61.300 0.081 0.000 1.358 195 I CB -0.640 37.388 38.000 0.045 0.000 1.047 195 I HN 0.672 nan 8.210 nan 0.000 0.422 196 G N -1.022 107.831 108.800 0.089 0.000 2.408 196 G HA2 -0.198 3.762 3.960 0.001 0.000 0.217 196 G HA3 -0.198 3.762 3.960 0.001 0.000 0.217 196 G C 1.492 176.444 174.900 0.087 0.000 1.150 196 G CA 0.648 45.796 45.100 0.081 0.000 0.776 196 G HN 0.573 nan 8.290 nan 0.000 0.542 197 Q N -0.888 118.966 119.800 0.091 0.000 2.302 197 Q HA 0.036 4.377 4.340 0.001 0.000 0.202 197 Q C 2.110 178.171 176.000 0.101 0.000 0.936 197 Q CA 0.735 56.585 55.803 0.078 0.000 0.886 197 Q CB -0.074 28.700 28.738 0.060 0.000 0.986 197 Q HN 0.721 nan 8.270 nan 0.000 0.487 198 H N 1.750 120.848 119.070 0.047 0.000 2.290 198 H HA -0.036 4.521 4.556 0.001 0.000 0.298 198 H C 1.985 177.354 175.328 0.070 0.000 1.087 198 H CA 1.694 57.776 56.048 0.056 0.000 1.291 198 H CB 0.218 30.010 29.762 0.051 0.000 1.369 198 H HN -0.028 nan 8.280 nan 0.000 0.492 199 R N -0.458 120.120 120.500 0.131 0.000 2.159 199 R HA -0.126 4.215 4.340 0.001 0.000 0.237 199 R C 2.354 178.668 176.300 0.024 0.000 1.131 199 R CA 1.684 57.831 56.100 0.078 0.000 0.982 199 R CB -0.413 29.962 30.300 0.126 0.000 0.868 199 R HN 0.673 nan 8.270 nan 0.000 0.453 200 T N -1.343 113.229 114.554 0.030 0.000 2.894 200 T HA 0.009 4.360 4.350 0.001 0.000 0.258 200 T C 1.807 176.532 174.700 0.041 0.000 1.043 200 T CA 0.378 62.500 62.100 0.036 0.000 1.141 200 T CB 0.084 68.976 68.868 0.041 0.000 0.873 200 T HN -0.067 nan 8.240 nan 0.000 0.449 201 K N 0.980 121.392 120.400 0.020 0.000 2.147 201 K HA 0.063 4.383 4.320 0.001 0.000 0.205 201 K C 2.192 178.864 176.600 0.119 0.000 1.049 201 K CA 0.665 57.002 56.287 0.084 0.000 0.936 201 K CB -0.444 32.081 32.500 0.040 0.000 0.722 201 K HN 0.408 nan 8.250 nan 0.000 0.446 202 I N 1.073 121.618 120.570 -0.040 0.000 2.315 202 I HA -0.168 4.002 4.170 0.001 0.000 0.248 202 I C 2.169 178.285 176.117 -0.002 0.000 1.117 202 I CA 1.069 62.333 61.300 -0.059 0.000 1.404 202 I CB -0.817 37.129 38.000 -0.091 0.000 1.071 202 I HN 0.160 nan 8.210 nan 0.000 0.419 203 E N 1.140 121.357 120.200 0.028 0.000 2.274 203 E HA -0.158 4.192 4.350 0.001 0.000 0.194 203 E C 1.860 178.510 176.600 0.083 0.000 0.996 203 E CA 0.745 57.170 56.400 0.042 0.000 0.840 203 E CB 0.198 29.921 29.700 0.039 0.000 0.772 203 E HN 0.558 nan 8.360 nan 0.000 0.491 204 E N -0.056 120.230 120.200 0.144 0.000 2.299 204 E HA -0.013 4.338 4.350 0.001 0.000 0.193 204 E C 2.107 178.908 176.600 0.335 0.000 0.998 204 E CA 0.012 56.548 56.400 0.226 0.000 0.851 204 E CB 0.232 30.076 29.700 0.239 0.000 0.795 204 E HN 0.178 nan 8.360 nan 0.000 0.492 205 L N 0.754 122.100 121.223 0.205 0.000 2.162 205 L HA -0.031 4.309 4.340 0.001 0.000 0.205 205 L C 2.313 179.135 176.870 -0.080 0.000 1.086 205 L CA 0.791 55.516 54.840 -0.193 0.000 0.778 205 L CB 0.087 41.743 42.059 -0.670 0.000 0.928 205 L HN -0.001 nan 8.230 nan 0.000 0.446 206 R N -0.565 119.919 120.500 -0.026 0.000 2.081 206 R HA -0.190 4.151 4.340 0.001 0.000 0.235 206 R C 2.225 178.556 176.300 0.052 0.000 1.131 206 R CA 1.653 57.746 56.100 -0.012 0.000 0.960 206 R CB -0.296 29.996 30.300 -0.014 0.000 0.856 206 R HN 0.498 nan 8.270 nan 0.000 0.436 207 Q N -0.672 119.182 119.800 0.089 0.000 2.084 207 Q HA -0.215 4.126 4.340 0.001 0.000 0.202 207 Q C 1.940 178.038 176.000 0.163 0.000 0.978 207 Q CA 1.672 57.538 55.803 0.105 0.000 0.844 207 Q CB -0.219 28.580 28.738 0.101 0.000 0.898 207 Q HN 0.517 nan 8.270 nan 0.000 0.426 208 H N 0.221 119.370 119.070 0.132 0.000 2.426 208 H HA -0.117 4.439 4.556 0.001 0.000 0.298 208 H C 1.685 177.178 175.328 0.276 0.000 1.107 208 H CA 1.302 57.479 56.048 0.215 0.000 1.298 208 H CB 0.128 30.008 29.762 0.197 0.000 1.377 208 H HN 0.138 nan 8.280 nan 0.000 0.519 209 L N -0.694 120.706 121.223 0.294 0.000 2.313 209 L HA -0.086 4.255 4.340 0.001 0.000 0.214 209 L C 1.761 178.786 176.870 0.258 0.000 1.119 209 L CA 0.007 54.978 54.840 0.218 0.000 0.809 209 L CB -0.018 42.063 42.059 0.036 0.000 0.933 209 L HN 0.263 nan 8.230 nan 0.000 0.449 210 L N -0.422 120.913 121.223 0.188 0.000 2.141 210 L HA -0.096 4.245 4.340 0.001 0.000 0.209 210 L C 2.495 179.441 176.870 0.128 0.000 1.094 210 L CA 1.460 56.376 54.840 0.127 0.000 0.763 210 L CB -0.646 41.457 42.059 0.072 0.000 0.908 210 L HN 0.099 nan 8.230 nan 0.000 0.437 211 R N -1.715 118.868 120.500 0.139 0.000 2.341 211 R HA -0.189 4.152 4.340 0.001 0.000 0.213 211 R C 0.756 176.908 176.300 -0.248 0.000 1.082 211 R CA 1.023 57.073 56.100 -0.085 0.000 1.017 211 R CB -0.121 30.048 30.300 -0.219 0.000 0.860 211 R HN 0.417 nan 8.270 nan 0.000 0.473 212 W N -1.360 119.957 121.300 0.029 0.000 2.725 212 W HA 0.339 4.999 4.660 0.000 0.000 0.336 212 W C 0.588 177.140 176.519 0.054 0.000 1.012 212 W CA 0.197 57.573 57.345 0.051 0.000 1.566 212 W CB 0.457 29.966 29.460 0.082 0.000 1.068 212 W HN 0.027 nan 8.180 nan 0.000 0.546 213 G N 1.995 110.930 108.800 0.225 0.000 2.638 213 G HA2 -0.180 3.780 3.960 0.001 0.000 0.269 213 G HA3 -0.180 3.780 3.960 0.001 0.000 0.269 213 G C -0.801 174.174 174.900 0.125 0.000 1.141 213 G CA -0.496 44.691 45.100 0.145 0.000 1.081 213 G HN 0.167 nan 8.290 nan 0.000 0.527 214 L N 0.883 122.163 121.223 0.094 0.000 2.427 214 L HA 0.394 4.734 4.340 0.001 0.000 0.264 214 L C 0.473 177.342 176.870 -0.003 0.000 0.989 214 L CA -0.882 53.971 54.840 0.022 0.000 0.865 214 L CB 1.627 43.675 42.059 -0.019 0.000 1.209 214 L HN 0.145 nan 8.230 nan 0.000 0.430 215 T N 1.261 115.813 114.554 -0.002 0.000 2.759 215 T HA 0.055 4.405 4.350 0.001 0.000 0.273 215 T C 0.705 175.376 174.700 -0.049 0.000 0.938 215 T CA 0.458 62.552 62.100 -0.011 0.000 1.197 215 T CB -0.124 68.749 68.868 0.009 0.000 0.887 215 T HN 0.461 nan 8.240 nan 0.000 0.540 216 T N 6.579 121.100 114.554 -0.054 0.000 3.400 216 T HA 0.286 4.636 4.350 0.001 0.000 0.362 216 T C -1.661 172.988 174.700 -0.085 0.000 1.823 216 T CA -1.159 60.891 62.100 -0.083 0.000 1.374 216 T CB 0.151 68.969 68.868 -0.083 0.000 1.130 216 T HN 0.388 nan 8.240 nan 0.000 0.744 232 Y N 1.930 122.251 120.300 0.035 0.000 2.535 232 Y HA 0.438 4.988 4.550 0.000 0.000 0.266 232 Y C 0.638 176.537 175.900 -0.001 0.000 1.088 232 Y CA 0.052 58.160 58.100 0.012 0.000 1.285 232 Y CB 0.403 38.859 38.460 -0.007 0.000 1.166 232 Y HN 0.016 nan 8.280 nan 0.000 0.525 233 E N 1.883 121.835 120.200 -0.413 0.000 2.398 233 E HA 0.164 4.515 4.350 0.001 0.000 0.263 233 E C -0.985 175.246 176.600 -0.614 0.000 1.046 233 E CA -0.100 55.968 56.400 -0.553 0.000 0.908 233 E CB 1.650 31.210 29.700 -0.235 0.000 0.963 233 E HN 0.230 nan 8.360 nan 0.000 0.431 234 L N 1.954 122.779 121.223 -0.663 0.000 2.358 234 L HA 0.272 4.613 4.340 0.001 0.000 0.268 234 L C 0.105 176.424 176.870 -0.919 0.000 1.032 234 L CA -0.368 54.176 54.840 -0.492 0.000 0.805 234 L CB 0.863 42.843 42.059 -0.131 0.000 1.253 234 L HN 0.437 nan 8.230 nan 0.000 0.452 235 H N 0.911 119.852 119.070 -0.214 0.000 2.596 235 H HA 0.193 4.749 4.556 0.001 0.000 0.240 235 H C -2.124 172.690 175.328 -0.858 0.000 1.406 235 H CA -1.326 54.491 56.048 -0.384 0.000 1.504 235 H CB 0.808 30.456 29.762 -0.189 0.000 1.688 235 H HN 0.337 nan 8.280 nan 0.000 0.546 236 P HA -0.171 nan 4.420 nan 0.000 0.218 236 P C 0.768 177.634 177.300 -0.722 0.000 1.146 236 P CA 1.478 63.717 63.100 -1.436 0.000 0.820 236 P CB 0.450 31.634 31.700 -0.861 0.000 0.778 237 D N -1.738 118.410 120.400 -0.420 0.000 2.347 237 D HA -0.013 4.628 4.640 0.001 0.000 0.213 237 D C 1.272 177.507 176.300 -0.109 0.000 0.985 237 D CA 0.782 54.660 54.000 -0.202 0.000 0.879 237 D CB -0.192 40.522 40.800 -0.145 0.000 0.919 237 D HN 0.184 nan 8.370 nan 0.000 0.526 238 K N -0.317 120.016 120.400 -0.113 0.000 2.372 238 K HA 0.071 4.391 4.320 0.001 0.000 0.200 238 K C -0.417 176.331 176.600 0.247 0.000 1.022 238 K CA -0.309 56.007 56.287 0.049 0.000 1.125 238 K CB 0.497 33.034 32.500 0.061 0.000 0.855 238 K HN 0.052 nan 8.250 nan 0.000 0.524 239 W N 2.778 124.104 121.300 0.043 0.000 2.332 239 W HA 0.142 4.804 4.660 0.002 0.000 0.306 239 W C 0.293 176.838 176.519 0.043 0.000 1.149 239 W CA -1.060 56.317 57.345 0.054 0.000 1.271 239 W CB 0.202 29.688 29.460 0.044 0.000 1.243 239 W HN -0.083 nan 8.180 nan 0.000 0.459 240 T N -0.557 114.148 114.554 0.251 0.000 2.767 240 T HA 0.446 4.796 4.350 0.001 0.000 0.284 240 T C -0.344 174.429 174.700 0.122 0.000 0.973 240 T CA -0.822 61.372 62.100 0.156 0.000 0.996 240 T CB 1.768 70.706 68.868 0.117 0.000 0.927 240 T HN 0.052 nan 8.240 nan 0.000 0.456 241 V N 4.631 124.611 119.914 0.110 0.000 2.223 241 V HA 0.149 4.270 4.120 0.001 0.000 0.249 241 V C 0.608 176.751 176.094 0.081 0.000 1.233 241 V CA -0.726 61.626 62.300 0.087 0.000 1.131 241 V CB -1.034 30.849 31.823 0.101 0.000 1.298 241 V HN 0.991 nan 8.190 nan 0.000 0.498 242 Q N 6.337 126.174 119.800 0.062 0.000 2.281 242 Q HA 0.399 4.739 4.340 0.001 0.000 0.267 242 Q C -2.152 173.914 176.000 0.109 0.000 1.053 242 Q CA -1.039 54.810 55.803 0.078 0.000 0.905 242 Q CB 0.244 29.021 28.738 0.064 0.000 1.195 242 Q HN 0.456 nan 8.270 nan 0.000 0.398 243 P HA 0.234 nan 4.420 nan 0.000 0.279 243 P C -0.255 177.168 177.300 0.206 0.000 1.276 243 P CA -0.737 62.472 63.100 0.181 0.000 0.801 243 P CB 0.818 32.615 31.700 0.162 0.000 1.127 244 I N -1.662 119.063 120.570 0.258 0.000 2.638 244 I HA 0.488 4.659 4.170 0.001 0.000 0.286 244 I C -0.012 176.210 176.117 0.176 0.000 1.088 244 I CA -0.679 60.774 61.300 0.255 0.000 1.397 244 I CB 1.072 39.256 38.000 0.306 0.000 1.414 244 I HN 0.057 nan 8.210 nan 0.000 0.566 245 V N 6.575 126.582 119.914 0.154 0.000 3.007 245 V HA 0.549 4.670 4.120 0.001 0.000 0.311 245 V C -0.531 175.631 176.094 0.114 0.000 1.120 245 V CA -0.797 61.571 62.300 0.113 0.000 0.980 245 V CB 2.380 34.261 31.823 0.096 0.000 1.033 245 V HN 0.729 nan 8.190 nan 0.000 0.429 246 L N 6.178 127.461 121.223 0.100 0.000 2.322 246 L HA 0.594 4.935 4.340 0.001 0.000 0.279 246 L C -1.920 175.029 176.870 0.133 0.000 1.036 246 L CA -1.653 53.257 54.840 0.116 0.000 0.807 246 L CB 1.687 43.803 42.059 0.096 0.000 1.226 246 L HN 0.574 nan 8.230 nan 0.000 0.433 247 P HA 0.061 nan 4.420 nan 0.000 0.272 247 P C -0.899 176.531 177.300 0.216 0.000 1.240 247 P CA -0.284 62.909 63.100 0.154 0.000 0.791 247 P CB 1.097 32.876 31.700 0.131 0.000 0.978 248 E N 1.771 122.038 120.200 0.111 0.000 2.255 248 E HA 0.197 4.547 4.350 0.001 0.000 0.245 248 E C -0.765 175.796 176.600 -0.065 0.000 0.909 248 E CA -0.499 55.967 56.400 0.109 0.000 0.747 248 E CB 0.628 30.373 29.700 0.076 0.000 1.215 248 E HN 0.252 nan 8.360 nan 0.000 0.424 249 K N 2.305 122.536 120.400 -0.281 0.000 2.156 249 K HA 0.290 4.610 4.320 0.001 0.000 0.250 249 K C 0.512 176.821 176.600 -0.485 0.000 0.955 249 K CA -0.602 55.306 56.287 -0.631 0.000 0.855 249 K CB 1.437 33.120 32.500 -1.361 0.000 1.101 249 K HN 0.355 nan 8.250 nan 0.000 0.434 250 D N 0.419 120.608 120.400 -0.351 0.000 2.106 250 D HA -0.040 4.601 4.640 0.001 0.000 0.203 250 D C -0.070 176.108 176.300 -0.203 0.000 0.977 250 D CA 1.199 55.091 54.000 -0.179 0.000 0.844 250 D CB 0.296 41.026 40.800 -0.117 0.000 1.002 250 D HN 0.263 nan 8.370 nan 0.000 0.461 251 S N 0.048 115.574 115.700 -0.290 0.000 2.454 251 S HA 0.324 4.795 4.470 0.001 0.000 0.306 251 S C -0.947 173.444 174.600 -0.350 0.000 1.100 251 S CA -0.732 57.358 58.200 -0.184 0.000 1.087 251 S CB 1.206 64.351 63.200 -0.092 0.000 1.019 251 S HN 0.123 nan 8.310 nan 0.000 0.480 252 W N 2.221 123.521 121.300 -0.001 0.000 2.391 252 W HA 0.442 5.103 4.660 0.001 0.000 0.311 252 W C 1.013 177.531 176.519 -0.001 0.000 1.087 252 W CA -0.605 56.740 57.345 -0.000 0.000 1.209 252 W CB 0.866 30.326 29.460 0.001 0.000 1.273 252 W HN 0.638 nan 8.180 nan 0.000 0.482 253 T N -1.048 113.606 114.554 0.165 0.000 2.881 253 T HA 0.226 4.577 4.350 0.001 0.000 0.278 253 T C 0.850 175.631 174.700 0.135 0.000 0.982 253 T CA -0.701 61.462 62.100 0.106 0.000 0.989 253 T CB 1.319 70.214 68.868 0.046 0.000 1.058 253 T HN 0.216 nan 8.240 nan 0.000 0.529 254 V N 1.991 121.957 119.914 0.087 0.000 2.407 254 V HA -0.148 3.973 4.120 0.001 0.000 0.248 254 V C 2.887 179.026 176.094 0.075 0.000 1.055 254 V CA 2.140 64.484 62.300 0.074 0.000 1.049 254 V CB -1.254 30.597 31.823 0.047 0.000 0.662 254 V HN 0.989 nan 8.190 nan 0.000 0.455 255 N N 0.382 119.121 118.700 0.066 0.000 2.058 255 N HA -0.225 4.516 4.740 0.001 0.000 0.191 255 N C 1.508 177.071 175.510 0.087 0.000 1.037 255 N CA 2.017 55.101 53.050 0.057 0.000 0.848 255 N CB -0.051 38.458 38.487 0.035 0.000 1.021 255 N HN 0.472 nan 8.380 nan 0.000 0.422 256 D N 0.916 121.393 120.400 0.129 0.000 2.104 256 D HA -0.158 4.483 4.640 0.001 0.000 0.194 256 D C 1.846 178.303 176.300 0.262 0.000 0.994 256 D CA 0.679 54.811 54.000 0.220 0.000 0.830 256 D CB -0.412 40.566 40.800 0.297 0.000 0.959 256 D HN 0.335 nan 8.370 nan 0.000 0.452 257 I N 0.604 121.314 120.570 0.233 0.000 2.454 257 I HA -0.237 3.934 4.170 0.001 0.000 0.254 257 I C 1.793 177.944 176.117 0.056 0.000 1.156 257 I CA 1.377 62.733 61.300 0.094 0.000 1.433 257 I CB -0.191 37.836 38.000 0.044 0.000 1.082 257 I HN 0.023 nan 8.210 nan 0.000 0.432 258 Q N 0.285 120.128 119.800 0.072 0.000 1.946 258 Q HA -0.193 4.148 4.340 0.001 0.000 0.199 258 Q C 2.244 178.280 176.000 0.061 0.000 0.979 258 Q CA 1.627 57.462 55.803 0.053 0.000 0.834 258 Q CB -0.299 28.467 28.738 0.047 0.000 0.899 258 Q HN 0.450 nan 8.270 nan 0.000 0.431 259 K N 0.611 121.051 120.400 0.067 0.000 2.052 259 K HA -0.253 4.068 4.320 0.001 0.000 0.215 259 K C 2.148 178.799 176.600 0.084 0.000 1.053 259 K CA 1.524 57.849 56.287 0.063 0.000 0.934 259 K CB -0.480 32.052 32.500 0.054 0.000 0.717 259 K HN 0.053 nan 8.250 nan 0.000 0.450 260 L N 1.159 122.440 121.223 0.098 0.000 1.963 260 L HA -0.260 4.081 4.340 0.001 0.000 0.220 260 L C 2.181 179.094 176.870 0.072 0.000 1.076 260 L CA 1.689 56.581 54.840 0.086 0.000 0.772 260 L CB -0.632 41.450 42.059 0.038 0.000 0.892 260 L HN -0.005 nan 8.230 nan 0.000 0.435 261 V N 0.203 120.144 119.914 0.045 0.000 2.324 261 V HA -0.323 3.798 4.120 0.001 0.000 0.250 261 V C 2.630 178.779 176.094 0.091 0.000 1.060 261 V CA 1.943 64.270 62.300 0.045 0.000 1.042 261 V CB -1.873 29.966 31.823 0.027 0.000 0.650 261 V HN 0.711 nan 8.190 nan 0.000 0.450 262 G N -0.447 108.415 108.800 0.104 0.000 2.529 262 G HA2 -0.394 3.567 3.960 0.001 0.000 0.219 262 G HA3 -0.394 3.567 3.960 0.001 0.000 0.219 262 G C 1.651 176.697 174.900 0.243 0.000 1.177 262 G CA 1.452 46.641 45.100 0.147 0.000 0.773 262 G HN 0.515 nan 8.290 nan 0.000 0.573 263 K N -0.061 120.492 120.400 0.256 0.000 2.025 263 K HA 0.066 4.386 4.320 0.001 0.000 0.207 263 K C 2.661 179.468 176.600 0.345 0.000 1.049 263 K CA 0.903 57.427 56.287 0.395 0.000 0.933 263 K CB -0.292 32.396 32.500 0.314 0.000 0.714 263 K HN 0.353 nan 8.250 nan 0.000 0.438 264 L N 1.153 122.492 121.223 0.193 0.000 2.042 264 L HA -0.233 4.107 4.340 0.001 0.000 0.210 264 L C 2.417 179.335 176.870 0.079 0.000 1.076 264 L CA 1.614 56.521 54.840 0.111 0.000 0.749 264 L CB -0.726 41.362 42.059 0.048 0.000 0.893 264 L HN 0.363 nan 8.230 nan 0.000 0.432 265 N N -0.441 118.315 118.700 0.094 0.000 2.166 265 N HA -0.271 4.470 4.740 0.001 0.000 0.186 265 N C 1.679 177.209 175.510 0.033 0.000 1.019 265 N CA 1.443 54.522 53.050 0.049 0.000 0.856 265 N CB -0.287 38.240 38.487 0.067 0.000 0.993 265 N HN 0.396 nan 8.380 nan 0.000 0.426 266 W N 1.056 122.325 121.300 -0.051 0.000 2.378 266 W HA 0.132 4.793 4.660 0.001 0.000 0.313 266 W C 2.122 178.535 176.519 -0.177 0.000 1.197 266 W CA 1.986 59.247 57.345 -0.139 0.000 1.304 266 W CB -0.824 28.527 29.460 -0.182 0.000 1.148 266 W HN 0.106 nan 8.180 nan 0.000 0.494 267 A N -0.190 122.501 122.820 -0.216 0.000 2.259 267 A HA -0.130 4.190 4.320 0.001 0.000 0.212 267 A C 1.937 179.345 177.584 -0.293 0.000 1.178 267 A CA 1.718 53.498 52.037 -0.429 0.000 0.734 267 A CB -1.195 17.835 19.000 0.050 0.000 0.774 267 A HN 0.328 nan 8.150 nan 0.000 0.481 268 S N -0.495 115.043 115.700 -0.270 0.000 2.489 268 S HA -0.128 4.343 4.470 0.001 0.000 0.228 268 S C 1.750 176.140 174.600 -0.350 0.000 0.995 268 S CA 1.103 59.179 58.200 -0.206 0.000 0.934 268 S CB -0.335 62.777 63.200 -0.147 0.000 0.771 268 S HN 0.744 nan 8.310 nan 0.000 0.522 269 Q N 0.010 119.427 119.800 -0.638 0.000 2.432 269 Q HA 0.092 4.432 4.340 0.001 0.000 0.205 269 Q C 1.405 176.956 176.000 -0.749 0.000 0.945 269 Q CA 0.436 55.702 55.803 -0.895 0.000 0.924 269 Q CB 0.054 27.770 28.738 -1.703 0.000 1.016 269 Q HN 0.498 nan 8.270 nan 0.000 0.503 270 I N -0.253 119.971 120.570 -0.577 0.000 2.315 270 I HA -0.071 4.100 4.170 0.001 0.000 0.233 270 I C 0.573 176.407 176.117 -0.472 0.000 1.067 270 I CA 0.981 61.970 61.300 -0.520 0.000 1.376 270 I CB -0.776 36.813 38.000 -0.685 0.000 1.143 270 I HN 0.021 nan 8.210 nan 0.000 0.421 271 Y N 2.090 122.293 120.300 -0.161 0.000 2.330 271 Y HA 0.346 4.896 4.550 0.001 0.000 0.336 271 Y C -1.472 174.351 175.900 -0.128 0.000 1.036 271 Y CA -2.776 55.260 58.100 -0.106 0.000 1.125 271 Y CB -0.232 38.184 38.460 -0.074 0.000 1.194 271 Y HN 0.085 nan 8.280 nan 0.000 0.469 272 P HA -0.015 nan 4.420 nan 0.000 0.236 272 P C 1.200 178.492 177.300 -0.014 0.000 1.177 272 P CA 1.075 64.161 63.100 -0.024 0.000 0.773 272 P CB 0.309 31.988 31.700 -0.034 0.000 0.878 273 G N 0.746 109.552 108.800 0.010 0.000 2.421 273 G HA2 -0.063 3.898 3.960 0.001 0.000 0.217 273 G HA3 -0.063 3.898 3.960 0.001 0.000 0.217 273 G C 0.877 175.753 174.900 -0.040 0.000 1.143 273 G CA -0.026 45.061 45.100 -0.021 0.000 0.784 273 G HN 0.137 nan 8.290 nan 0.000 0.541 274 I N 1.242 121.788 120.570 -0.040 0.000 2.742 274 I HA 0.132 4.303 4.170 0.001 0.000 0.287 274 I C 0.068 176.157 176.117 -0.047 0.000 1.186 274 I CA 0.209 61.476 61.300 -0.055 0.000 1.417 274 I CB 0.481 38.453 38.000 -0.048 0.000 1.377 274 I HN -0.060 nan 8.210 nan 0.000 0.556 275 K N 4.468 124.838 120.400 -0.049 0.000 2.208 275 K HA 0.521 4.842 4.320 0.001 0.000 0.247 275 K C 0.274 176.847 176.600 -0.044 0.000 0.953 275 K CA -0.508 55.753 56.287 -0.044 0.000 0.837 275 K CB 2.392 34.866 32.500 -0.043 0.000 1.131 275 K HN 0.293 nan 8.250 nan 0.000 0.431 276 V N 2.114 122.004 119.914 -0.039 0.000 3.392 276 V HA 0.068 4.189 4.120 0.001 0.000 0.285 276 V C 0.893 176.965 176.094 -0.037 0.000 1.582 276 V CA 0.116 62.392 62.300 -0.039 0.000 1.034 276 V CB 0.174 31.981 31.823 -0.027 0.000 0.846 276 V HN 0.623 nan 8.190 nan 0.000 0.431 277 R N 0.389 120.869 120.500 -0.033 0.000 2.211 277 R HA -0.202 4.139 4.340 0.001 0.000 0.240 277 R C 1.850 178.130 176.300 -0.033 0.000 1.144 277 R CA 1.817 57.899 56.100 -0.030 0.000 0.992 277 R CB -0.475 29.809 30.300 -0.027 0.000 0.869 277 R HN 0.564 nan 8.270 nan 0.000 0.462 278 Q N 0.125 119.901 119.800 -0.041 0.000 2.212 278 Q HA 0.102 4.443 4.340 0.001 0.000 0.199 278 Q C 1.896 177.863 176.000 -0.055 0.000 0.950 278 Q CA 0.734 56.510 55.803 -0.045 0.000 0.863 278 Q CB 0.124 28.833 28.738 -0.049 0.000 0.944 278 Q HN 0.267 nan 8.270 nan 0.000 0.465 279 L N -0.504 120.681 121.223 -0.064 0.000 2.418 279 L HA 0.038 4.378 4.340 0.001 0.000 0.218 279 L C 2.211 179.048 176.870 -0.055 0.000 1.125 279 L CA 0.654 55.446 54.840 -0.080 0.000 0.835 279 L CB -0.166 41.833 42.059 -0.101 0.000 0.953 279 L HN 0.180 nan 8.230 nan 0.000 0.454 280 S N 0.075 115.752 115.700 -0.039 0.000 2.355 280 S HA -0.172 4.299 4.470 0.001 0.000 0.222 280 S C 2.000 176.588 174.600 -0.020 0.000 1.031 280 S CA 1.210 59.395 58.200 -0.024 0.000 0.993 280 S CB 0.033 63.222 63.200 -0.018 0.000 0.859 280 S HN 0.290 nan 8.310 nan 0.000 0.453 281 K N 0.331 120.717 120.400 -0.022 0.000 2.218 281 K HA -0.131 4.190 4.320 0.001 0.000 0.205 281 K C 1.818 178.409 176.600 -0.015 0.000 1.046 281 K CA 1.267 57.544 56.287 -0.017 0.000 0.933 281 K CB -0.376 32.113 32.500 -0.019 0.000 0.728 281 K HN 0.299 nan 8.250 nan 0.000 0.454 282 L N 0.596 121.806 121.223 -0.022 0.000 2.079 282 L HA -0.199 4.141 4.340 0.001 0.000 0.210 282 L C 2.039 178.907 176.870 -0.004 0.000 1.081 282 L CA 1.536 56.366 54.840 -0.016 0.000 0.752 282 L CB -0.405 41.636 42.059 -0.029 0.000 0.896 282 L HN 0.157 nan 8.230 nan 0.000 0.433 283 L N -1.263 119.958 121.223 -0.003 0.000 2.341 283 L HA -0.016 4.325 4.340 0.001 0.000 0.214 283 L C 0.867 177.741 176.870 0.005 0.000 1.115 283 L CA -0.132 54.711 54.840 0.006 0.000 0.820 283 L CB -0.357 41.708 42.059 0.008 0.000 0.944 283 L HN 0.120 nan 8.230 nan 0.000 0.452 284 R N 1.759 122.260 120.500 0.001 0.000 2.695 284 R HA 0.105 4.445 4.340 0.001 0.000 0.304 284 R C 0.441 176.743 176.300 0.004 0.000 0.836 284 R CA 0.858 56.959 56.100 0.002 0.000 1.135 284 R CB -0.805 29.494 30.300 -0.001 0.000 0.882 284 R HN 0.353 nan 8.270 nan 0.000 0.413 285 G N 2.019 110.822 108.800 0.005 0.000 3.355 285 G HA2 -0.214 3.746 3.960 0.001 0.000 0.686 285 G HA3 -0.214 3.746 3.960 0.001 0.000 0.686 285 G C 0.026 174.930 174.900 0.008 0.000 1.097 285 G CA -0.485 44.619 45.100 0.006 0.000 0.881 285 G HN 0.720 nan 8.290 nan 0.000 0.550 286 T N 0.323 114.881 114.554 0.008 0.000 2.695 286 T HA 0.365 4.716 4.350 0.001 0.000 0.264 286 T C 0.749 175.455 174.700 0.010 0.000 0.993 286 T CA 0.895 63.001 62.100 0.009 0.000 1.248 286 T CB 0.410 69.283 68.868 0.008 0.000 0.946 286 T HN 0.742 nan 8.240 nan 0.000 0.526 287 K N 2.176 122.583 120.400 0.012 0.000 2.531 287 K HA 0.792 5.113 4.320 0.001 0.000 0.265 287 K C -0.055 176.554 176.600 0.014 0.000 1.045 287 K CA -1.186 55.109 56.287 0.013 0.000 1.040 287 K CB 1.156 33.665 32.500 0.016 0.000 1.436 287 K HN 0.651 nan 8.250 nan 0.000 0.571 288 A N 0.671 123.500 122.820 0.015 0.000 2.324 288 A HA 0.331 4.651 4.320 0.001 0.000 0.330 288 A C 0.563 178.157 177.584 0.018 0.000 1.165 288 A CA -0.466 51.580 52.037 0.014 0.000 0.813 288 A CB 0.643 19.650 19.000 0.012 0.000 1.197 288 A HN 0.543 nan 8.150 nan 0.000 0.484 289 L N 1.752 122.985 121.223 0.016 0.000 2.012 289 L HA -0.150 4.190 4.340 0.001 0.000 0.210 289 L C 2.845 179.727 176.870 0.020 0.000 1.073 289 L CA 2.928 57.779 54.840 0.019 0.000 0.748 289 L CB -0.765 41.302 42.059 0.014 0.000 0.891 289 L HN 0.906 nan 8.230 nan 0.000 0.431 290 T N -3.346 111.216 114.554 0.013 0.000 3.113 290 T HA -0.101 4.250 4.350 0.001 0.000 0.263 290 T C 0.874 175.583 174.700 0.015 0.000 1.143 290 T CA -0.139 61.967 62.100 0.010 0.000 1.090 290 T CB -0.556 68.314 68.868 0.003 0.000 0.922 290 T HN 0.334 nan 8.240 nan 0.000 0.521 291 E N 1.951 122.163 120.200 0.020 0.000 2.406 291 E HA 0.183 4.533 4.350 0.001 0.000 0.258 291 E C -0.504 176.117 176.600 0.036 0.000 1.043 291 E CA -0.389 56.026 56.400 0.024 0.000 0.929 291 E CB 0.422 30.136 29.700 0.024 0.000 0.969 291 E HN 0.167 nan 8.360 nan 0.000 0.462 292 V N 6.237 126.171 119.914 0.034 0.000 2.811 292 V HA 0.146 4.267 4.120 0.001 0.000 0.302 292 V C 0.585 176.716 176.094 0.062 0.000 1.063 292 V CA 0.166 62.496 62.300 0.050 0.000 1.088 292 V CB 0.820 32.663 31.823 0.033 0.000 0.982 292 V HN 0.574 nan 8.190 nan 0.000 0.485 293 I N 5.174 125.801 120.570 0.096 0.000 2.498 293 I HA 0.385 4.556 4.170 0.001 0.000 0.290 293 I C -2.260 173.921 176.117 0.106 0.000 1.032 293 I CA -1.955 59.397 61.300 0.088 0.000 1.073 293 I CB 2.483 40.532 38.000 0.082 0.000 1.251 293 I HN 0.493 nan 8.210 nan 0.000 0.426 294 P HA -0.006 nan 4.420 nan 0.000 0.268 294 P C -0.548 176.794 177.300 0.068 0.000 1.204 294 P CA -0.416 62.726 63.100 0.071 0.000 0.768 294 P CB 1.148 32.873 31.700 0.042 0.000 0.842 295 L N 3.933 125.211 121.223 0.093 0.000 2.448 295 L HA 0.115 4.455 4.340 0.001 0.000 0.278 295 L C 0.968 177.842 176.870 0.006 0.000 1.201 295 L CA 0.384 55.254 54.840 0.051 0.000 1.036 295 L CB -1.176 40.957 42.059 0.124 0.000 1.325 295 L HN 0.466 nan 8.230 nan 0.000 0.441 296 T N 1.454 115.996 114.554 -0.020 0.000 2.795 296 T HA 0.015 4.365 4.350 0.001 0.000 0.314 296 T C 1.196 175.877 174.700 -0.032 0.000 1.069 296 T CA -0.178 61.909 62.100 -0.022 0.000 1.071 296 T CB 0.644 69.495 68.868 -0.027 0.000 0.988 296 T HN 0.651 nan 8.240 nan 0.000 0.543 297 E N 1.905 122.091 120.200 -0.023 0.000 2.216 297 E HA -0.018 4.333 4.350 0.001 0.000 0.192 297 E C 2.042 178.622 176.600 -0.034 0.000 0.988 297 E CA 0.764 57.149 56.400 -0.025 0.000 0.834 297 E CB -0.099 29.592 29.700 -0.015 0.000 0.772 297 E HN 0.701 nan 8.360 nan 0.000 0.479 298 E N 0.914 121.093 120.200 -0.035 0.000 2.153 298 E HA -0.100 4.250 4.350 0.001 0.000 0.194 298 E C 1.769 178.337 176.600 -0.053 0.000 0.988 298 E CA 1.206 57.583 56.400 -0.039 0.000 0.811 298 E CB -0.133 29.546 29.700 -0.035 0.000 0.746 298 E HN 0.250 nan 8.360 nan 0.000 0.466 299 A N 0.684 123.463 122.820 -0.068 0.000 1.850 299 A HA -0.098 4.223 4.320 0.001 0.000 0.212 299 A C 1.946 179.467 177.584 -0.105 0.000 1.208 299 A CA 0.863 52.840 52.037 -0.100 0.000 0.609 299 A CB -0.351 18.568 19.000 -0.136 0.000 0.860 299 A HN 0.053 nan 8.150 nan 0.000 0.448 300 E N -0.281 119.865 120.200 -0.091 0.000 2.136 300 E HA -0.265 4.086 4.350 0.001 0.000 0.202 300 E C 1.916 178.482 176.600 -0.056 0.000 1.019 300 E CA 1.644 58.001 56.400 -0.071 0.000 0.819 300 E CB -0.501 29.177 29.700 -0.037 0.000 0.739 300 E HN 0.504 nan 8.360 nan 0.000 0.458 301 L N 1.274 122.467 121.223 -0.049 0.000 1.961 301 L HA -0.151 4.189 4.340 0.001 0.000 0.210 301 L C 2.294 179.134 176.870 -0.051 0.000 1.072 301 L CA 2.055 56.870 54.840 -0.042 0.000 0.749 301 L CB -0.496 41.541 42.059 -0.036 0.000 0.889 301 L HN 0.015 nan 8.230 nan 0.000 0.432 302 E N -0.739 119.425 120.200 -0.059 0.000 2.204 302 E HA -0.229 4.122 4.350 0.001 0.000 0.195 302 E C 2.299 178.853 176.600 -0.076 0.000 0.990 302 E CA 1.023 57.385 56.400 -0.064 0.000 0.821 302 E CB -0.156 29.506 29.700 -0.064 0.000 0.750 302 E HN 0.587 nan 8.360 nan 0.000 0.477 303 L N 0.074 121.241 121.223 -0.093 0.000 1.994 303 L HA -0.169 4.172 4.340 0.001 0.000 0.208 303 L C 2.372 179.198 176.870 -0.074 0.000 1.071 303 L CA 1.550 56.325 54.840 -0.109 0.000 0.745 303 L CB -0.290 41.673 42.059 -0.161 0.000 0.892 303 L HN 0.154 nan 8.230 nan 0.000 0.431 304 A N -0.723 122.063 122.820 -0.057 0.000 1.930 304 A HA -0.273 4.048 4.320 0.001 0.000 0.217 304 A C 2.143 179.700 177.584 -0.045 0.000 1.175 304 A CA 1.712 53.727 52.037 -0.037 0.000 0.627 304 A CB -0.640 18.345 19.000 -0.025 0.000 0.815 304 A HN 0.596 nan 8.150 nan 0.000 0.443 305 E N -0.015 120.155 120.200 -0.051 0.000 2.097 305 E HA -0.240 4.111 4.350 0.001 0.000 0.196 305 E C 1.613 178.172 176.600 -0.070 0.000 1.000 305 E CA 1.535 57.902 56.400 -0.055 0.000 0.804 305 E CB -0.087 29.581 29.700 -0.053 0.000 0.740 305 E HN 0.601 nan 8.360 nan 0.000 0.454 306 N N 0.136 118.791 118.700 -0.076 0.000 2.250 306 N HA -0.106 4.634 4.740 0.001 0.000 0.181 306 N C 1.726 177.173 175.510 -0.105 0.000 1.017 306 N CA 0.535 53.528 53.050 -0.096 0.000 0.866 306 N CB -0.284 38.153 38.487 -0.083 0.000 0.985 306 N HN 0.138 nan 8.380 nan 0.000 0.429 307 R N 1.230 121.687 120.500 -0.071 0.000 2.200 307 R HA -0.076 4.265 4.340 0.001 0.000 0.234 307 R C 1.103 177.365 176.300 -0.063 0.000 1.127 307 R CA 1.037 57.105 56.100 -0.052 0.000 0.989 307 R CB 0.249 30.536 30.300 -0.022 0.000 0.869 307 R HN 0.150 nan 8.270 nan 0.000 0.459 308 E N 0.315 120.471 120.200 -0.072 0.000 2.122 308 E HA -0.095 4.256 4.350 0.001 0.000 0.190 308 E C 1.973 178.508 176.600 -0.108 0.000 0.977 308 E CA 0.531 56.890 56.400 -0.067 0.000 0.820 308 E CB 0.038 29.706 29.700 -0.054 0.000 0.770 308 E HN 0.316 nan 8.360 nan 0.000 0.462 309 I N 1.093 121.564 120.570 -0.164 0.000 2.361 309 I HA -0.210 3.960 4.170 0.001 0.000 0.251 309 I C 2.295 178.143 176.117 -0.447 0.000 1.133 309 I CA 1.018 62.157 61.300 -0.268 0.000 1.413 309 I CB -1.084 36.730 38.000 -0.310 0.000 1.073 309 I HN 0.077 nan 8.210 nan 0.000 0.424 310 L N -0.052 120.936 121.223 -0.391 0.000 2.552 310 L HA -0.061 4.279 4.340 0.001 0.000 0.227 310 L C 2.274 179.087 176.870 -0.095 0.000 1.146 310 L CA 0.576 55.205 54.840 -0.352 0.000 0.858 310 L CB -0.434 41.515 42.059 -0.184 0.000 0.969 310 L HN 0.220 nan 8.230 nan 0.000 0.451 311 K N 0.068 120.429 120.400 -0.065 0.000 2.099 311 K HA -0.001 4.320 4.320 0.001 0.000 0.203 311 K C 0.660 177.285 176.600 0.042 0.000 1.047 311 K CA 0.119 56.411 56.287 0.009 0.000 0.963 311 K CB 0.185 32.687 32.500 0.004 0.000 0.759 311 K HN -0.038 nan 8.250 nan 0.000 0.451 312 E N 2.882 123.095 120.200 0.022 0.000 2.366 312 E HA 0.017 4.367 4.350 0.001 0.000 0.266 312 E C -2.380 174.313 176.600 0.155 0.000 1.015 312 E CA -2.043 54.398 56.400 0.069 0.000 0.906 312 E CB 0.402 30.120 29.700 0.030 0.000 0.979 312 E HN 0.030 nan 8.360 nan 0.000 0.443 313 P HA -0.117 nan 4.420 nan 0.000 0.264 313 P C -0.194 177.302 177.300 0.327 0.000 1.183 313 P CA -0.061 63.178 63.100 0.232 0.000 0.763 313 P CB 0.665 32.470 31.700 0.176 0.000 0.807 314 V N 4.955 125.055 119.914 0.310 0.000 2.540 314 V HA -0.067 4.054 4.120 0.001 0.000 0.297 314 V C 0.036 176.276 176.094 0.244 0.000 1.024 314 V CA 0.255 62.701 62.300 0.244 0.000 1.105 314 V CB -0.883 30.909 31.823 -0.052 0.000 0.938 314 V HN 0.460 nan 8.190 nan 0.000 0.482 315 H N 5.037 124.156 119.070 0.081 0.000 2.580 315 H HA 0.603 5.159 4.556 0.001 0.000 0.322 315 H C 0.972 176.335 175.328 0.058 0.000 1.082 315 H CA 0.386 56.476 56.048 0.069 0.000 1.383 315 H CB 1.479 31.279 29.762 0.064 0.000 1.450 315 H HN 1.004 nan 8.280 nan 0.000 0.505 316 G N 1.901 110.766 108.800 0.109 0.000 2.227 316 G HA2 -0.194 3.767 3.960 0.001 0.000 0.168 316 G HA3 -0.194 3.767 3.960 0.001 0.000 0.168 316 G C -0.199 174.860 174.900 0.264 0.000 1.006 316 G CA -0.052 45.138 45.100 0.150 0.000 0.684 316 G HN 0.706 nan 8.290 nan 0.000 0.489 317 V N -0.238 119.777 119.914 0.169 0.000 2.686 317 V HA 0.842 4.962 4.120 0.001 0.000 0.295 317 V C -0.153 176.102 176.094 0.268 0.000 1.055 317 V CA -0.272 62.111 62.300 0.139 0.000 1.050 317 V CB 0.455 32.322 31.823 0.073 0.000 0.984 317 V HN 1.436 nan 8.190 nan 0.000 0.482 318 Y N 2.036 122.371 120.300 0.058 0.000 2.522 318 Y HA 0.607 5.157 4.550 0.001 0.000 0.326 318 Y C -1.428 174.543 175.900 0.119 0.000 1.198 318 Y CA -1.590 56.557 58.100 0.078 0.000 1.112 318 Y CB 0.441 38.917 38.460 0.028 0.000 1.342 318 Y HN 0.772 nan 8.280 nan 0.000 0.460 319 Y N 3.214 123.540 120.300 0.043 0.000 2.320 319 Y HA 0.596 5.147 4.550 0.001 0.000 0.324 319 Y C -0.854 175.065 175.900 0.032 0.000 1.190 319 Y CA -0.965 57.101 58.100 -0.056 0.000 1.215 319 Y CB 1.493 40.006 38.460 0.088 0.000 1.221 319 Y HN 0.822 nan 8.280 nan 0.000 0.486 320 D N 7.824 127.784 120.400 -0.733 0.000 2.358 320 D HA 0.244 4.885 4.640 0.001 0.000 0.253 320 D C -2.165 173.623 176.300 -0.853 0.000 1.288 320 D CA -2.105 51.558 54.000 -0.561 0.000 0.950 320 D CB 1.923 42.621 40.800 -0.171 0.000 1.197 320 D HN 0.373 nan 8.370 nan 0.000 0.550 321 P HA -0.126 nan 4.420 nan 0.000 0.217 321 P C 1.003 178.174 177.300 -0.217 0.000 1.148 321 P CA 0.662 63.469 63.100 -0.489 0.000 0.828 321 P CB 0.397 31.973 31.700 -0.208 0.000 0.783 322 S N -0.893 114.692 115.700 -0.192 0.000 2.607 322 S HA 0.040 4.511 4.470 0.001 0.000 0.224 322 S C 0.787 175.327 174.600 -0.101 0.000 0.969 322 S CA 0.539 58.672 58.200 -0.111 0.000 0.927 322 S CB -0.319 62.829 63.200 -0.087 0.000 0.772 322 S HN 0.302 nan 8.310 nan 0.000 0.533 323 K N 1.362 121.679 120.400 -0.139 0.000 2.316 323 K HA 0.328 4.649 4.320 0.001 0.000 0.251 323 K C -1.240 175.291 176.600 -0.114 0.000 0.934 323 K CA -0.802 55.417 56.287 -0.114 0.000 0.802 323 K CB 1.335 33.763 32.500 -0.119 0.000 1.171 323 K HN -0.097 nan 8.250 nan 0.000 0.426 324 D N 1.509 121.848 120.400 -0.102 0.000 2.414 324 D HA 0.096 4.737 4.640 0.001 0.000 0.242 324 D C -0.889 175.294 176.300 -0.194 0.000 1.129 324 D CA -0.176 53.753 54.000 -0.117 0.000 0.885 324 D CB 0.635 41.374 40.800 -0.102 0.000 1.198 324 D HN 0.113 nan 8.370 nan 0.000 0.437 325 L N 3.730 124.810 121.223 -0.238 0.000 2.350 325 L HA 0.475 4.815 4.340 0.001 0.000 0.275 325 L C -0.543 176.053 176.870 -0.456 0.000 1.099 325 L CA -0.100 54.513 54.840 -0.378 0.000 0.808 325 L CB 0.990 42.804 42.059 -0.408 0.000 1.149 325 L HN 0.414 nan 8.230 nan 0.000 0.442 326 I N 3.641 123.823 120.570 -0.647 0.000 2.499 326 I HA 0.591 4.762 4.170 0.001 0.000 0.288 326 I C -0.579 175.026 176.117 -0.853 0.000 1.048 326 I CA -0.641 60.191 61.300 -0.780 0.000 1.062 326 I CB 1.883 39.301 38.000 -0.970 0.000 1.238 326 I HN 0.665 nan 8.210 nan 0.000 0.426 327 A N 5.835 128.236 122.820 -0.698 0.000 2.342 327 A HA 0.783 5.104 4.320 0.001 0.000 0.323 327 A C -0.781 176.652 177.584 -0.252 0.000 1.125 327 A CA -0.502 51.203 52.037 -0.553 0.000 0.785 327 A CB 1.231 19.674 19.000 -0.927 0.000 1.221 327 A HN 0.745 nan 8.150 nan 0.000 0.463 328 E N 1.205 121.393 120.200 -0.019 0.000 2.238 328 E HA 0.634 4.985 4.350 0.001 0.000 0.267 328 E C -1.349 175.374 176.600 0.206 0.000 0.887 328 E CA -0.459 56.013 56.400 0.121 0.000 0.769 328 E CB 2.464 32.275 29.700 0.185 0.000 1.187 328 E HN 0.595 nan 8.360 nan 0.000 0.416 329 I N 2.076 122.793 120.570 0.246 0.000 2.545 329 I HA 0.242 4.413 4.170 0.001 0.000 0.292 329 I C -0.877 175.431 176.117 0.318 0.000 1.040 329 I CA -0.895 60.597 61.300 0.319 0.000 1.068 329 I CB 2.067 40.267 38.000 0.334 0.000 1.251 329 I HN 0.348 nan 8.210 nan 0.000 0.424 330 Q N 4.435 124.432 119.800 0.329 0.000 2.337 330 Q HA 0.391 4.731 4.340 0.001 0.000 0.266 330 Q C -0.740 175.362 176.000 0.169 0.000 1.023 330 Q CA -0.709 55.239 55.803 0.241 0.000 0.829 330 Q CB 2.403 31.273 28.738 0.220 0.000 1.306 330 Q HN 0.321 nan 8.270 nan 0.000 0.449 331 K N 2.031 122.420 120.400 -0.019 0.000 2.276 331 K HA 0.135 4.456 4.320 0.001 0.000 0.285 331 K C 0.001 176.371 176.600 -0.383 0.000 1.062 331 K CA -0.134 55.869 56.287 -0.473 0.000 0.918 331 K CB 0.695 32.913 32.500 -0.470 0.000 1.055 331 K HN 0.558 nan 8.250 nan 0.000 0.477 332 Q N 2.185 121.701 119.800 -0.474 0.000 2.252 332 Q HA 0.263 4.603 4.340 0.001 0.000 0.195 332 Q C 0.515 176.351 176.000 -0.274 0.000 0.974 332 Q CA 1.024 56.657 55.803 -0.283 0.000 0.846 332 Q CB 0.522 29.147 28.738 -0.189 0.000 0.943 332 Q HN 0.934 nan 8.270 nan 0.000 0.516 333 G N -0.296 108.308 108.800 -0.326 0.000 2.326 333 G HA2 0.004 3.965 3.960 0.001 0.000 0.413 333 G HA3 0.004 3.965 3.960 0.001 0.000 0.413 333 G C -1.203 173.608 174.900 -0.149 0.000 1.444 333 G CA -0.344 44.625 45.100 -0.218 0.000 1.002 333 G HN 0.147 nan 8.290 nan 0.000 0.649 334 Q N -1.297 118.450 119.800 -0.088 0.000 2.481 334 Q HA -0.198 4.143 4.340 0.001 0.000 0.272 334 Q C 1.619 177.609 176.000 -0.018 0.000 1.157 334 Q CA 2.113 57.891 55.803 -0.043 0.000 0.935 334 Q CB -1.567 27.146 28.738 -0.042 0.000 1.338 334 Q HN 2.885 nan 8.270 nan 0.000 0.494 335 G N -0.730 108.066 108.800 -0.007 0.000 2.184 335 G HA2 -0.357 3.604 3.960 0.001 0.000 0.264 335 G HA3 -0.357 3.604 3.960 0.001 0.000 0.264 335 G C 0.094 175.090 174.900 0.160 0.000 0.975 335 G CA 0.742 45.920 45.100 0.130 0.000 0.642 335 G HN 0.429 nan 8.290 nan 0.000 0.536 336 Q N -1.191 118.584 119.800 -0.041 0.000 2.306 336 Q HA 0.573 4.913 4.340 0.001 0.000 0.241 336 Q C -0.508 175.410 176.000 -0.136 0.000 0.948 336 Q CA -0.137 55.686 55.803 0.033 0.000 0.886 336 Q CB 0.822 29.554 28.738 -0.010 0.000 1.227 336 Q HN 0.419 nan 8.270 nan 0.000 0.457 337 W N -0.086 121.320 121.300 0.176 0.000 3.107 337 W HA 0.415 5.076 4.660 0.001 0.000 0.331 337 W C -0.681 175.969 176.519 0.219 0.000 1.204 337 W CA -0.546 56.930 57.345 0.218 0.000 1.184 337 W CB 1.696 31.340 29.460 0.308 0.000 1.421 337 W HN 0.570 nan 8.180 nan 0.000 0.544 338 T N -0.596 114.201 114.554 0.405 0.000 2.906 338 T HA 0.833 5.184 4.350 0.001 0.000 0.295 338 T C -1.267 173.597 174.700 0.274 0.000 1.061 338 T CA -0.699 61.545 62.100 0.240 0.000 1.000 338 T CB 1.916 70.867 68.868 0.138 0.000 1.103 338 T HN 0.541 nan 8.240 nan 0.000 0.486 339 Y N -0.399 119.942 120.300 0.067 0.000 2.644 339 Y HA 0.857 5.407 4.550 0.001 0.000 0.338 339 Y C -1.483 174.353 175.900 -0.107 0.000 1.119 339 Y CA -1.429 56.681 58.100 0.017 0.000 1.060 339 Y CB 1.562 40.066 38.460 0.074 0.000 1.294 339 Y HN 0.657 nan 8.280 nan 0.000 0.472 340 Q N 1.766 121.629 119.800 0.104 0.000 2.281 340 Q HA 0.591 4.932 4.340 0.001 0.000 0.263 340 Q C -1.628 174.431 176.000 0.098 0.000 0.989 340 Q CA -0.433 55.383 55.803 0.021 0.000 0.852 340 Q CB 2.985 31.665 28.738 -0.096 0.000 1.337 340 Q HN 0.738 nan 8.270 nan 0.000 0.418 341 I N 3.482 124.092 120.570 0.067 0.000 2.377 341 I HA 0.674 4.845 4.170 0.001 0.000 0.293 341 I C -0.852 175.185 176.117 -0.132 0.000 0.987 341 I CA -1.126 60.090 61.300 -0.140 0.000 1.185 341 I CB 0.695 38.622 38.000 -0.121 0.000 1.341 341 I HN 0.672 nan 8.210 nan 0.000 0.455 342 Y N 2.910 123.053 120.300 -0.260 0.000 2.689 342 Y HA 0.424 4.975 4.550 0.001 0.000 0.333 342 Y C -0.356 175.376 175.900 -0.280 0.000 1.208 342 Y CA -0.983 56.959 58.100 -0.263 0.000 1.055 342 Y CB 1.037 39.373 38.460 -0.206 0.000 1.304 342 Y HN 0.468 nan 8.280 nan 0.000 0.455 343 Q N 0.119 119.901 119.800 -0.030 0.000 2.431 343 Q HA 0.187 4.528 4.340 0.001 0.000 0.244 343 Q C -0.690 175.360 176.000 0.083 0.000 0.880 343 Q CA 0.427 56.172 55.803 -0.096 0.000 0.954 343 Q CB 1.040 29.657 28.738 -0.202 0.000 1.105 343 Q HN 0.731 nan 8.270 nan 0.000 0.558 344 E N 1.437 121.712 120.200 0.124 0.000 2.314 344 E HA 0.333 4.684 4.350 0.001 0.000 0.272 344 E C -2.834 173.676 176.600 -0.150 0.000 0.884 344 E CA -2.612 53.814 56.400 0.043 0.000 0.753 344 E CB 1.626 31.334 29.700 0.014 0.000 1.213 344 E HN -0.190 nan 8.360 nan 0.000 0.432 345 P HA -0.093 nan 4.420 nan 0.000 0.260 345 P C -0.278 176.733 177.300 -0.482 0.000 1.172 345 P CA 0.372 63.046 63.100 -0.710 0.000 0.760 345 P CB -0.150 31.251 31.700 -0.497 0.000 0.773 346 F N 0.326 120.037 119.950 -0.399 0.000 2.884 346 F HA -0.191 4.337 4.527 0.001 0.000 0.294 346 F C 0.607 176.254 175.800 -0.255 0.000 0.723 346 F CA 1.008 58.812 58.000 -0.327 0.000 1.294 346 F CB -2.367 36.437 39.000 -0.328 0.000 1.551 346 F HN 0.333 nan 8.300 nan 0.000 0.363 347 K N 0.712 121.032 120.400 -0.133 0.000 3.163 347 K HA 0.326 4.647 4.320 0.001 0.000 0.186 347 K C -0.183 176.373 176.600 -0.073 0.000 1.111 347 K CA -0.379 55.860 56.287 -0.081 0.000 0.918 347 K CB 0.169 32.629 32.500 -0.066 0.000 1.059 347 K HN 0.009 nan 8.250 nan 0.000 0.558 348 N N 1.024 119.695 118.700 -0.047 0.000 2.407 348 N HA -0.013 4.727 4.740 0.001 0.000 0.250 348 N C 0.775 176.303 175.510 0.030 0.000 1.236 348 N CA 0.308 53.373 53.050 0.024 0.000 0.879 348 N CB 0.715 39.234 38.487 0.054 0.000 1.088 348 N HN 0.252 nan 8.380 nan 0.000 0.450 349 L N 0.342 121.591 121.223 0.043 0.000 2.357 349 L HA 0.213 4.554 4.340 0.001 0.000 0.211 349 L C 0.945 177.930 176.870 0.190 0.000 1.075 349 L CA 0.559 55.456 54.840 0.095 0.000 0.830 349 L CB 0.103 42.165 42.059 0.005 0.000 0.996 349 L HN 0.522 nan 8.230 nan 0.000 0.467 350 K N 0.078 120.577 120.400 0.165 0.000 2.587 350 K HA 0.357 4.677 4.320 0.001 0.000 0.276 350 K C -1.574 175.073 176.600 0.077 0.000 0.956 350 K CA -0.404 55.982 56.287 0.165 0.000 0.857 350 K CB 2.229 34.897 32.500 0.280 0.000 1.431 350 K HN -0.080 nan 8.250 nan 0.000 0.420 351 T N -0.414 114.127 114.554 -0.021 0.000 3.071 351 T HA 0.684 5.035 4.350 0.001 0.000 0.311 351 T C -0.243 174.228 174.700 -0.380 0.000 1.042 351 T CA -0.583 61.381 62.100 -0.227 0.000 1.028 351 T CB 1.558 70.325 68.868 -0.167 0.000 1.068 351 T HN 0.673 nan 8.240 nan 0.000 0.451 352 G N 0.956 109.159 108.800 -0.996 0.000 3.140 352 G HA2 0.741 4.702 3.960 0.001 0.000 0.271 352 G HA3 0.741 4.702 3.960 0.001 0.000 0.271 352 G C -1.479 173.043 174.900 -0.629 0.000 1.370 352 G CA -1.155 43.449 45.100 -0.828 0.000 1.014 352 G HN 0.829 nan 8.290 nan 0.000 0.541 353 K N 0.038 120.338 120.400 -0.167 0.000 2.764 353 K HA 0.236 4.557 4.320 0.001 0.000 0.239 353 K C -1.706 175.044 176.600 0.249 0.000 1.048 353 K CA -0.694 55.635 56.287 0.071 0.000 1.057 353 K CB 1.102 33.635 32.500 0.054 0.000 1.251 353 K HN 0.479 nan 8.250 nan 0.000 0.524 354 Y N 3.051 123.535 120.300 0.306 0.000 2.650 354 Y HA 0.169 4.719 4.550 0.001 0.000 0.331 354 Y C 0.078 176.136 175.900 0.264 0.000 1.165 354 Y CA 0.334 58.599 58.100 0.274 0.000 1.473 354 Y CB 0.346 38.962 38.460 0.261 0.000 1.224 354 Y HN 0.625 nan 8.280 nan 0.000 0.533 355 A N 6.867 129.499 122.820 -0.313 0.000 2.250 355 A HA 0.419 4.739 4.320 0.001 0.000 0.283 355 A C 0.125 177.531 177.584 -0.298 0.000 1.206 355 A CA -0.824 51.092 52.037 -0.201 0.000 0.840 355 A CB 0.260 19.177 19.000 -0.138 0.000 1.220 355 A HN 0.752 nan 8.150 nan 0.000 0.505 356 R N 0.787 121.221 120.500 -0.110 0.000 2.513 356 R HA -0.016 4.325 4.340 0.001 0.000 0.333 356 R C -0.406 175.803 176.300 -0.150 0.000 0.925 356 R CA 0.242 56.297 56.100 -0.074 0.000 1.072 356 R CB -0.287 30.001 30.300 -0.021 0.000 0.914 356 R HN 0.637 nan 8.270 nan 0.000 0.408 357 M N 4.828 124.336 119.600 -0.153 0.000 2.217 357 M HA 0.063 4.543 4.480 0.001 0.000 0.352 357 M C 0.190 176.465 176.300 -0.042 0.000 1.376 357 M CA 0.034 55.277 55.300 -0.095 0.000 1.107 357 M CB 0.357 32.967 32.600 0.017 0.000 1.723 357 M HN 0.293 nan 8.290 nan 0.000 0.461 358 R N 2.792 123.271 120.500 -0.035 0.000 2.441 358 R HA 0.363 4.703 4.340 0.001 0.000 0.300 358 R C 0.975 177.256 176.300 -0.032 0.000 1.284 358 R CA 0.463 56.548 56.100 -0.025 0.000 1.069 358 R CB -0.326 29.965 30.300 -0.014 0.000 1.087 358 R HN 1.045 nan 8.270 nan 0.000 0.519 359 G N 0.951 109.719 108.800 -0.054 0.000 2.738 359 G HA2 -0.175 3.786 3.960 0.001 0.000 0.195 359 G HA3 -0.175 3.786 3.960 0.001 0.000 0.195 359 G C 0.148 174.929 174.900 -0.198 0.000 1.001 359 G CA -0.240 44.802 45.100 -0.098 0.000 0.759 359 G HN 0.697 nan 8.290 nan 0.000 0.494 360 A N 1.651 124.383 122.820 -0.147 0.000 2.388 360 A HA 0.633 4.954 4.320 0.001 0.000 0.257 360 A C 0.552 178.034 177.584 -0.171 0.000 1.095 360 A CA -0.255 51.669 52.037 -0.190 0.000 0.791 360 A CB 0.085 19.049 19.000 -0.060 0.000 1.029 360 A HN 0.390 nan 8.150 nan 0.000 0.489 361 H N 0.758 119.800 119.070 -0.046 0.000 2.639 361 H HA 0.163 4.720 4.556 0.001 0.000 0.373 361 H C 0.906 176.221 175.328 -0.022 0.000 1.372 361 H CA 0.962 56.988 56.048 -0.037 0.000 1.448 361 H CB 0.334 30.063 29.762 -0.056 0.000 1.544 361 H HN 0.686 nan 8.280 nan 0.000 0.615 362 T N -0.319 114.319 114.554 0.139 0.000 4.104 362 T HA 0.040 4.391 4.350 0.001 0.000 0.285 362 T C 0.384 175.120 174.700 0.059 0.000 1.346 362 T CA -0.713 61.436 62.100 0.083 0.000 1.158 362 T CB -0.896 68.004 68.868 0.054 0.000 1.290 362 T HN 0.371 nan 8.240 nan 0.000 0.975 363 N N 1.987 120.722 118.700 0.058 0.000 2.716 363 N HA 0.129 4.870 4.740 0.001 0.000 0.253 363 N C 0.272 175.823 175.510 0.070 0.000 1.170 363 N CA -0.393 52.664 53.050 0.013 0.000 0.807 363 N CB 1.173 39.613 38.487 -0.078 0.000 1.183 363 N HN 0.279 nan 8.380 nan 0.000 0.524 364 D N 1.244 121.740 120.400 0.160 0.000 2.200 364 D HA -0.175 4.466 4.640 0.001 0.000 0.192 364 D C 1.655 178.120 176.300 0.275 0.000 1.008 364 D CA 1.407 55.606 54.000 0.332 0.000 0.872 364 D CB 0.501 41.496 40.800 0.325 0.000 0.923 364 D HN 0.314 nan 8.370 nan 0.000 0.447 365 V N 0.838 120.871 119.914 0.198 0.000 2.379 365 V HA -0.206 3.915 4.120 0.001 0.000 0.245 365 V C 2.501 178.676 176.094 0.136 0.000 1.044 365 V CA 1.537 63.989 62.300 0.253 0.000 1.036 365 V CB -0.420 31.606 31.823 0.340 0.000 0.664 365 V HN 0.146 nan 8.190 nan 0.000 0.453 366 K N -0.208 120.097 120.400 -0.159 0.000 2.103 366 K HA -0.253 4.068 4.320 0.001 0.000 0.207 366 K C 2.251 178.696 176.600 -0.259 0.000 1.048 366 K CA 1.763 57.666 56.287 -0.640 0.000 0.930 366 K CB -0.101 31.715 32.500 -1.139 0.000 0.716 366 K HN 0.509 nan 8.250 nan 0.000 0.444 367 Q N 0.530 120.240 119.800 -0.149 0.000 2.016 367 Q HA -0.143 4.198 4.340 0.001 0.000 0.200 367 Q C 2.241 177.950 176.000 -0.484 0.000 0.978 367 Q CA 1.635 57.341 55.803 -0.162 0.000 0.833 367 Q CB -0.130 28.659 28.738 0.085 0.000 0.895 367 Q HN 0.368 nan 8.270 nan 0.000 0.427 368 L N 0.387 121.256 121.223 -0.591 0.000 2.042 368 L HA -0.223 4.117 4.340 0.001 0.000 0.210 368 L C 2.082 178.803 176.870 -0.248 0.000 1.076 368 L CA 1.465 55.879 54.840 -0.710 0.000 0.749 368 L CB -0.392 41.434 42.059 -0.387 0.000 0.893 368 L HN 0.285 nan 8.230 nan 0.000 0.432 369 T N -0.403 114.198 114.554 0.078 0.000 2.720 369 T HA -0.239 4.112 4.350 0.001 0.000 0.268 369 T C 1.613 176.318 174.700 0.009 0.000 1.037 369 T CA 1.903 64.181 62.100 0.296 0.000 1.144 369 T CB -0.278 68.811 68.868 0.369 0.000 0.864 369 T HN 0.501 nan 8.240 nan 0.000 0.444 370 E N 1.035 121.128 120.200 -0.177 0.000 2.051 370 E HA -0.063 4.288 4.350 0.001 0.000 0.192 370 E C 2.671 178.956 176.600 -0.525 0.000 0.991 370 E CA 0.957 57.180 56.400 -0.296 0.000 0.799 370 E CB -0.290 29.271 29.700 -0.232 0.000 0.748 370 E HN 0.487 nan 8.360 nan 0.000 0.449 371 A N 1.176 123.503 122.820 -0.823 0.000 1.873 371 A HA -0.206 4.114 4.320 0.001 0.000 0.218 371 A C 2.556 179.831 177.584 -0.515 0.000 1.193 371 A CA 1.585 53.057 52.037 -0.941 0.000 0.629 371 A CB -1.008 17.470 19.000 -0.870 0.000 0.826 371 A HN 0.139 nan 8.150 nan 0.000 0.447 372 V N 0.130 119.797 119.914 -0.411 0.000 2.278 372 V HA -0.395 3.726 4.120 0.001 0.000 0.251 372 V C 2.719 178.695 176.094 -0.197 0.000 1.062 372 V CA 2.563 64.583 62.300 -0.467 0.000 1.038 372 V CB -0.938 30.642 31.823 -0.404 0.000 0.646 372 V HN 0.709 nan 8.190 nan 0.000 0.447 373 Q N -0.792 118.934 119.800 -0.123 0.000 2.124 373 Q HA -0.190 4.150 4.340 0.001 0.000 0.202 373 Q C 2.370 178.411 176.000 0.068 0.000 0.977 373 Q CA 1.118 56.935 55.803 0.024 0.000 0.850 373 Q CB -0.213 28.357 28.738 -0.279 0.000 0.901 373 Q HN 0.543 nan 8.270 nan 0.000 0.429 374 K N 0.782 121.109 120.400 -0.122 0.000 1.985 374 K HA -0.124 4.197 4.320 0.001 0.000 0.210 374 K C 2.159 178.648 176.600 -0.185 0.000 1.047 374 K CA 1.048 57.247 56.287 -0.146 0.000 0.932 374 K CB -0.423 31.938 32.500 -0.233 0.000 0.716 374 K HN 0.233 nan 8.250 nan 0.000 0.439 375 I N 1.582 122.003 120.570 -0.249 0.000 2.118 375 I HA -0.263 3.907 4.170 0.001 0.000 0.241 375 I C 2.237 178.327 176.117 -0.046 0.000 1.070 375 I CA 1.696 62.858 61.300 -0.230 0.000 1.327 375 I CB -2.096 35.884 38.000 -0.034 0.000 1.034 375 I HN 0.146 nan 8.210 nan 0.000 0.405 376 T N 0.720 115.332 114.554 0.097 0.000 2.759 376 T HA -0.163 4.188 4.350 0.001 0.000 0.269 376 T C 1.941 176.506 174.700 -0.225 0.000 1.042 376 T CA 2.127 64.177 62.100 -0.083 0.000 1.140 376 T CB -0.442 68.277 68.868 -0.249 0.000 0.864 376 T HN 0.405 nan 8.240 nan 0.000 0.455 377 T N 2.170 116.721 114.554 -0.005 0.000 2.639 377 T HA -0.080 4.271 4.350 0.001 0.000 0.261 377 T C 2.007 176.693 174.700 -0.023 0.000 1.053 377 T CA 1.215 63.384 62.100 0.115 0.000 1.158 377 T CB -0.316 68.707 68.868 0.259 0.000 0.863 377 T HN 0.558 nan 8.240 nan 0.000 0.413 378 E N 1.227 121.330 120.200 -0.162 0.000 2.114 378 E HA -0.174 4.177 4.350 0.001 0.000 0.199 378 E C 2.419 178.915 176.600 -0.173 0.000 1.008 378 E CA 1.360 57.572 56.400 -0.314 0.000 0.810 378 E CB -0.359 28.935 29.700 -0.676 0.000 0.739 378 E HN 0.329 nan 8.360 nan 0.000 0.456 379 S N 0.561 116.188 115.700 -0.121 0.000 2.383 379 S HA -0.137 4.334 4.470 0.001 0.000 0.229 379 S C 1.982 176.492 174.600 -0.150 0.000 1.030 379 S CA 0.782 58.990 58.200 0.014 0.000 1.002 379 S CB -0.176 63.014 63.200 -0.018 0.000 0.829 379 S HN 0.200 nan 8.310 nan 0.000 0.467 380 I N 0.690 121.065 120.570 -0.325 0.000 2.286 380 I HA -0.101 4.070 4.170 0.001 0.000 0.245 380 I C 2.224 178.041 176.117 -0.500 0.000 1.104 380 I CA 0.822 61.794 61.300 -0.548 0.000 1.397 380 I CB -0.378 37.203 38.000 -0.699 0.000 1.072 380 I HN 0.184 nan 8.210 nan 0.000 0.417 381 V N 1.384 121.093 119.914 -0.342 0.000 2.343 381 V HA -0.251 3.870 4.120 0.001 0.000 0.247 381 V C 2.337 178.257 176.094 -0.290 0.000 1.051 381 V CA 1.491 63.638 62.300 -0.255 0.000 1.036 381 V CB -0.442 31.380 31.823 -0.001 0.000 0.654 381 V HN 0.301 nan 8.190 nan 0.000 0.451 382 I N -1.653 118.620 120.570 -0.495 0.000 2.333 382 I HA -0.117 4.054 4.170 0.001 0.000 0.246 382 I C 1.831 177.322 176.117 -1.043 0.000 1.106 382 I CA 1.706 62.441 61.300 -0.943 0.000 1.411 382 I CB -0.747 36.126 38.000 -1.880 0.000 1.082 382 I HN 0.470 nan 8.210 nan 0.000 0.420 383 W N 0.377 121.393 121.300 -0.473 0.000 2.304 383 W HA 0.401 5.063 4.660 0.002 0.000 0.326 383 W C 1.120 177.059 176.519 -0.966 0.000 0.920 383 W CA 0.183 57.097 57.345 -0.718 0.000 1.518 383 W CB -0.374 28.573 29.460 -0.856 0.000 1.112 383 W HN 0.304 nan 8.180 nan 0.000 0.528 384 G N 2.978 111.185 108.800 -0.990 0.000 2.356 384 G HA2 -0.330 3.630 3.960 0.001 0.000 0.296 384 G HA3 -0.330 3.630 3.960 0.001 0.000 0.296 384 G C -0.050 174.662 174.900 -0.313 0.000 1.022 384 G CA 1.293 45.940 45.100 -0.755 0.000 0.961 384 G HN 0.269 nan 8.290 nan 0.000 0.510 385 K N -0.687 119.539 120.400 -0.290 0.000 2.542 385 K HA 0.543 4.864 4.320 0.001 0.000 0.259 385 K C -0.298 176.181 176.600 -0.202 0.000 0.932 385 K CA -0.655 55.561 56.287 -0.119 0.000 0.820 385 K CB 1.335 33.842 32.500 0.012 0.000 1.345 385 K HN 0.033 nan 8.250 nan 0.000 0.432 386 T N 4.301 118.763 114.554 -0.153 0.000 2.909 386 T HA 0.417 4.768 4.350 0.001 0.000 0.289 386 T C -2.396 172.206 174.700 -0.164 0.000 1.005 386 T CA -1.137 60.849 62.100 -0.189 0.000 1.084 386 T CB 1.263 70.050 68.868 -0.135 0.000 0.975 386 T HN 0.458 nan 8.240 nan 0.000 0.509 387 P HA 0.366 nan 4.420 nan 0.000 0.280 387 P C -1.198 175.913 177.300 -0.315 0.000 1.272 387 P CA -0.825 62.055 63.100 -0.366 0.000 0.819 387 P CB 1.057 32.403 31.700 -0.590 0.000 1.122 388 K N 1.253 121.434 120.400 -0.365 0.000 2.293 388 K HA 0.369 4.689 4.320 0.001 0.000 0.267 388 K C -1.041 175.385 176.600 -0.289 0.000 1.010 388 K CA -0.564 55.592 56.287 -0.217 0.000 0.875 388 K CB 0.224 32.615 32.500 -0.182 0.000 1.106 388 K HN 0.201 nan 8.250 nan 0.000 0.450 389 F N 2.727 122.613 119.950 -0.107 0.000 2.399 389 F HA 0.265 4.793 4.527 0.001 0.000 0.342 389 F C 0.693 176.409 175.800 -0.140 0.000 1.106 389 F CA -0.214 57.720 58.000 -0.110 0.000 1.196 389 F CB 1.144 40.096 39.000 -0.080 0.000 1.163 389 F HN 0.289 nan 8.300 nan 0.000 0.547 390 K N 4.604 125.037 120.400 0.054 0.000 2.423 390 K HA 0.363 4.683 4.320 0.001 0.000 0.234 390 K C -1.000 175.622 176.600 0.036 0.000 1.051 390 K CA -0.262 56.031 56.287 0.008 0.000 1.021 390 K CB 0.534 33.049 32.500 0.026 0.000 1.474 390 K HN 0.480 nan 8.250 nan 0.000 0.474 391 L N 4.143 125.323 121.223 -0.072 0.000 2.416 391 L HA 0.192 4.532 4.340 0.001 0.000 0.272 391 L C -1.650 175.239 176.870 0.031 0.000 1.161 391 L CA -1.634 53.139 54.840 -0.112 0.000 0.845 391 L CB 0.258 42.032 42.059 -0.474 0.000 1.119 391 L HN 0.285 nan 8.230 nan 0.000 0.464 392 P HA 0.314 nan 4.420 nan 0.000 0.214 392 P C -0.617 176.782 177.300 0.165 0.000 1.849 392 P CA 0.175 63.368 63.100 0.154 0.000 1.022 392 P CB 0.601 32.426 31.700 0.209 0.000 1.912 393 I N -0.849 119.802 120.570 0.134 0.000 3.066 393 I HA 0.299 4.470 4.170 0.001 0.000 0.307 393 I C -1.431 174.727 176.117 0.068 0.000 1.366 393 I CA -1.171 60.211 61.300 0.137 0.000 0.972 393 I CB 2.961 41.075 38.000 0.190 0.000 1.307 393 I HN -0.108 nan 8.210 nan 0.000 0.470 394 Q N 3.721 123.536 119.800 0.026 0.000 2.299 394 Q HA 0.174 4.515 4.340 0.001 0.000 0.246 394 Q C 0.761 176.571 176.000 -0.316 0.000 0.935 394 Q CA -0.065 55.684 55.803 -0.090 0.000 0.887 394 Q CB 1.703 30.425 28.738 -0.026 0.000 1.223 394 Q HN 0.595 nan 8.270 nan 0.000 0.439 395 K N 2.336 122.380 120.400 -0.593 0.000 2.009 395 K HA -0.245 4.076 4.320 0.001 0.000 0.210 395 K C 1.073 177.374 176.600 -0.499 0.000 1.049 395 K CA 2.132 57.750 56.287 -1.115 0.000 0.929 395 K CB 0.128 32.139 32.500 -0.816 0.000 0.714 395 K HN 0.631 nan 8.250 nan 0.000 0.440 396 E N -0.054 119.984 120.200 -0.270 0.000 2.204 396 E HA -0.086 4.264 4.350 0.001 0.000 0.194 396 E C 1.838 178.345 176.600 -0.155 0.000 0.989 396 E CA 1.668 57.958 56.400 -0.183 0.000 0.824 396 E CB -0.011 29.614 29.700 -0.126 0.000 0.756 396 E HN 0.410 nan 8.360 nan 0.000 0.477 397 T N 0.165 114.687 114.554 -0.055 0.000 2.737 397 T HA -0.150 4.201 4.350 0.001 0.000 0.265 397 T C 1.332 176.139 174.700 0.178 0.000 1.038 397 T CA 1.057 63.227 62.100 0.118 0.000 1.144 397 T CB -0.329 68.657 68.868 0.197 0.000 0.866 397 T HN 0.423 nan 8.240 nan 0.000 0.434 398 W N 2.293 123.538 121.300 -0.093 0.000 2.408 398 W HA -0.045 4.615 4.660 0.001 0.000 0.311 398 W C 1.680 178.164 176.519 -0.058 0.000 1.190 398 W CA 0.999 58.306 57.345 -0.064 0.000 1.321 398 W CB -0.289 29.057 29.460 -0.191 0.000 1.143 398 W HN 0.335 nan 8.180 nan 0.000 0.501 399 E N -0.062 120.079 120.200 -0.099 0.000 2.267 399 E HA -0.186 4.165 4.350 0.001 0.000 0.197 399 E C 2.002 178.406 176.600 -0.328 0.000 0.998 399 E CA 1.778 58.099 56.400 -0.131 0.000 0.830 399 E CB -0.114 29.525 29.700 -0.102 0.000 0.751 399 E HN 0.212 nan 8.360 nan 0.000 0.491 400 T N -0.538 113.744 114.554 -0.454 0.000 2.809 400 T HA -0.069 4.282 4.350 0.001 0.000 0.260 400 T C 1.015 175.126 174.700 -0.981 0.000 1.039 400 T CA 0.689 62.295 62.100 -0.824 0.000 1.141 400 T CB 0.025 68.135 68.868 -1.264 0.000 0.869 400 T HN 0.345 nan 8.240 nan 0.000 0.437 401 W N 0.581 121.689 121.300 -0.321 0.000 3.058 401 W HA 0.238 4.898 4.660 0.001 0.000 0.306 401 W C 1.931 178.104 176.519 -0.578 0.000 1.188 401 W CA -0.878 56.215 57.345 -0.421 0.000 1.651 401 W CB -0.538 28.763 29.460 -0.265 0.000 1.051 401 W HN 0.431 nan 8.180 nan 0.000 0.592 402 W N 2.362 123.222 121.300 -0.733 0.000 2.308 402 W HA -0.294 4.366 4.660 0.001 0.000 0.301 402 W C 1.606 177.869 176.519 -0.427 0.000 1.220 402 W CA 2.589 59.366 57.345 -0.948 0.000 1.240 402 W CB -1.695 26.559 29.460 -2.010 0.000 1.142 402 W HN -0.130 nan 8.180 nan 0.000 0.521 403 T N -1.061 112.665 114.554 -1.379 0.000 2.867 403 T HA -0.174 4.176 4.350 0.001 0.000 0.268 403 T C 1.556 176.026 174.700 -0.383 0.000 1.057 403 T CA 1.482 62.908 62.100 -1.123 0.000 1.136 403 T CB -0.543 67.596 68.868 -1.215 0.000 0.874 403 T HN 0.081 nan 8.240 nan 0.000 0.466 404 E N 0.762 120.708 120.200 -0.423 0.000 2.204 404 E HA -0.082 4.269 4.350 0.001 0.000 0.195 404 E C 1.401 177.866 176.600 -0.224 0.000 0.990 404 E CA 1.104 57.304 56.400 -0.333 0.000 0.821 404 E CB -0.227 29.170 29.700 -0.505 0.000 0.750 404 E HN 0.736 nan 8.360 nan 0.000 0.477 405 Y N -1.618 118.727 120.300 0.075 0.000 2.481 405 Y HA 0.103 4.654 4.550 0.001 0.000 0.258 405 Y C 1.059 177.057 175.900 0.164 0.000 1.103 405 Y CA -1.111 57.051 58.100 0.103 0.000 1.287 405 Y CB -0.263 38.250 38.460 0.088 0.000 1.108 405 Y HN 0.048 nan 8.280 nan 0.000 0.529 406 W N 3.294 124.676 121.300 0.138 0.000 2.257 406 W HA 0.027 4.688 4.660 0.002 0.000 0.337 406 W C 0.216 176.801 176.519 0.110 0.000 1.321 406 W CA 0.975 58.435 57.345 0.192 0.000 1.267 406 W CB 0.672 30.306 29.460 0.290 0.000 1.187 406 W HN 0.185 nan 8.180 nan 0.000 0.565 407 Q N 3.308 122.866 119.800 -0.403 0.000 2.057 407 Q HA 0.211 4.551 4.340 0.001 0.000 0.216 407 Q C -0.001 175.706 176.000 -0.488 0.000 0.788 407 Q CA -0.179 55.434 55.803 -0.318 0.000 1.053 407 Q CB 1.242 29.837 28.738 -0.239 0.000 1.210 407 Q HN 0.395 nan 8.270 nan 0.000 0.455 408 A N 0.141 122.470 122.820 -0.818 0.000 2.282 408 A HA 0.517 4.838 4.320 0.001 0.000 0.324 408 A C 0.972 178.361 177.584 -0.325 0.000 1.119 408 A CA -0.210 51.337 52.037 -0.817 0.000 0.880 408 A CB 0.709 18.760 19.000 -1.580 0.000 1.294 408 A HN 0.166 nan 8.150 nan 0.000 0.493 409 T N -2.492 111.768 114.554 -0.490 0.000 3.040 409 T HA 0.185 4.536 4.350 0.001 0.000 0.250 409 T C 0.353 175.130 174.700 0.128 0.000 1.058 409 T CA -0.051 61.976 62.100 -0.122 0.000 0.988 409 T CB -0.326 68.465 68.868 -0.130 0.000 0.993 409 T HN 0.669 nan 8.240 nan 0.000 0.519 410 W N 0.855 122.410 121.300 0.426 0.000 2.655 410 W HA 0.756 5.417 4.660 0.001 0.000 0.358 410 W C -1.175 175.664 176.519 0.533 0.000 1.100 410 W CA -1.607 55.975 57.345 0.395 0.000 1.195 410 W CB 0.743 30.413 29.460 0.350 0.000 1.403 410 W HN -0.208 nan 8.180 nan 0.000 0.589 411 I N 2.941 123.927 120.570 0.693 0.000 2.499 411 I HA 0.275 4.446 4.170 0.001 0.000 0.288 411 I C -2.156 174.036 176.117 0.125 0.000 1.048 411 I CA -2.722 58.791 61.300 0.355 0.000 1.062 411 I CB 1.354 39.365 38.000 0.019 0.000 1.238 411 I HN 0.044 nan 8.210 nan 0.000 0.426 412 P HA 0.286 nan 4.420 nan 0.000 0.279 412 P C -0.549 176.550 177.300 -0.335 0.000 1.252 412 P CA -0.428 62.680 63.100 0.013 0.000 0.811 412 P CB 1.484 33.367 31.700 0.306 0.000 1.035 413 E N 1.685 121.741 120.200 -0.239 0.000 2.229 413 E HA 0.360 4.710 4.350 0.001 0.000 0.283 413 E C -1.189 175.268 176.600 -0.239 0.000 1.030 413 E CA -0.246 55.915 56.400 -0.398 0.000 0.836 413 E CB 0.153 29.721 29.700 -0.220 0.000 1.068 413 E HN 0.343 nan 8.360 nan 0.000 0.401 414 W N 3.018 124.190 121.300 -0.214 0.000 2.882 414 W HA 0.656 5.316 4.660 0.001 0.000 0.345 414 W C -0.950 175.247 176.519 -0.538 0.000 1.125 414 W CA -1.271 55.870 57.345 -0.340 0.000 1.167 414 W CB 0.065 29.232 29.460 -0.489 0.000 1.431 414 W HN 0.555 nan 8.180 nan 0.000 0.543 415 E N 0.711 120.756 120.200 -0.259 0.000 2.343 415 E HA 0.673 5.024 4.350 0.001 0.000 0.270 415 E C -1.816 174.438 176.600 -0.576 0.000 0.895 415 E CA -0.961 55.186 56.400 -0.420 0.000 0.767 415 E CB 2.050 31.660 29.700 -0.151 0.000 1.248 415 E HN 0.259 nan 8.360 nan 0.000 0.440 416 F N 1.303 121.247 119.950 -0.011 0.000 2.415 416 F HA 0.525 5.052 4.527 0.001 0.000 0.348 416 F C -0.136 175.660 175.800 -0.006 0.000 1.119 416 F CA -0.945 57.023 58.000 -0.054 0.000 1.069 416 F CB 1.853 40.816 39.000 -0.061 0.000 1.124 416 F HN 0.271 nan 8.300 nan 0.000 0.472 417 V N 3.656 123.670 119.914 0.167 0.000 2.709 417 V HA 0.554 4.674 4.120 0.001 0.000 0.308 417 V C -1.480 174.686 176.094 0.120 0.000 1.062 417 V CA -0.530 61.844 62.300 0.124 0.000 0.901 417 V CB 2.098 33.977 31.823 0.094 0.000 1.003 417 V HN 0.786 nan 8.190 nan 0.000 0.425 418 N N 3.393 122.156 118.700 0.105 0.000 2.483 418 N HA 0.654 5.395 4.740 0.001 0.000 0.267 418 N C -0.951 174.611 175.510 0.087 0.000 0.998 418 N CA 0.079 53.184 53.050 0.092 0.000 0.918 418 N CB 1.779 40.312 38.487 0.077 0.000 1.215 418 N HN 0.846 nan 8.380 nan 0.000 0.500 419 T N 1.712 116.322 114.554 0.093 0.000 3.066 419 T HA 0.470 4.821 4.350 0.001 0.000 0.318 419 T C -2.405 172.347 174.700 0.087 0.000 0.979 419 T CA -1.239 60.919 62.100 0.095 0.000 1.025 419 T CB 1.053 69.993 68.868 0.120 0.000 1.002 419 T HN 0.372 nan 8.240 nan 0.000 0.453 420 P HA 0.206 nan 4.420 nan 0.000 0.270 420 P C -2.555 174.763 177.300 0.029 0.000 1.216 420 P CA -0.876 62.244 63.100 0.034 0.000 0.788 420 P CB -0.280 31.436 31.700 0.027 0.000 0.883 421 P HA 0.219 nan 4.420 nan 0.000 0.283 421 P C -0.195 177.009 177.300 -0.162 0.000 1.412 421 P CA -0.247 62.760 63.100 -0.156 0.000 0.912 421 P CB 0.150 31.705 31.700 -0.241 0.000 1.132 422 L N 1.071 122.274 121.223 -0.034 0.000 2.395 422 L HA 0.367 4.708 4.340 0.001 0.000 0.269 422 L C 0.891 177.679 176.870 -0.138 0.000 1.133 422 L CA -1.122 53.747 54.840 0.049 0.000 0.812 422 L CB 0.077 42.282 42.059 0.243 0.000 1.125 422 L HN 0.010 nan 8.230 nan 0.000 0.452 423 V N 1.558 121.426 119.914 -0.077 0.000 5.257 423 V HA -0.349 3.772 4.120 0.001 0.000 0.265 423 V C 1.173 176.911 176.094 -0.593 0.000 0.646 423 V CA 1.419 63.616 62.300 -0.172 0.000 0.650 423 V CB -2.577 29.319 31.823 0.121 0.000 0.424 423 V HN 1.034 nan 8.190 nan 0.000 0.862 424 K N -1.715 118.390 120.400 -0.492 0.000 2.020 424 K HA -0.245 4.076 4.320 0.001 0.000 0.142 424 K C 0.346 176.328 176.600 -1.029 0.000 1.458 424 K CA 1.665 57.628 56.287 -0.541 0.000 0.544 424 K CB -0.510 31.779 32.500 -0.352 0.000 0.566 424 K HN 0.461 nan 8.250 nan 0.000 0.927 425 L N 1.760 122.488 121.223 -0.826 0.000 2.337 425 L HA 0.230 4.570 4.340 0.001 0.000 0.269 425 L C 1.517 178.050 176.870 -0.562 0.000 1.018 425 L CA -0.695 53.569 54.840 -0.960 0.000 0.876 425 L CB 0.589 42.393 42.059 -0.424 0.000 1.236 425 L HN 0.568 nan 8.230 nan 0.000 0.436 426 W N 0.885 122.009 121.300 -0.294 0.000 2.308 426 W HA -0.266 4.395 4.660 0.001 0.000 0.301 426 W C 1.376 177.825 176.519 -0.116 0.000 1.220 426 W CA 0.673 57.854 57.345 -0.273 0.000 1.240 426 W CB -0.744 28.333 29.460 -0.639 0.000 1.142 426 W HN 0.580 nan 8.180 nan 0.000 0.521 427 Y N 0.291 120.809 120.300 0.364 0.000 2.373 427 Y HA -0.025 4.526 4.550 0.001 0.000 0.293 427 Y C 2.138 178.121 175.900 0.139 0.000 1.129 427 Y CA 1.073 59.337 58.100 0.272 0.000 1.226 427 Y CB -0.749 37.880 38.460 0.281 0.000 1.000 427 Y HN -0.069 nan 8.280 nan 0.000 0.549 428 Q N 0.000 119.919 119.800 0.198 0.000 2.315 428 Q HA 0.000 4.341 4.340 0.001 0.000 0.214 428 Q CA 0.000 55.863 55.803 0.100 0.000 1.022 428 Q CB 0.000 28.756 28.738 0.030 0.000 1.108 428 Q HN 0.000 nan 8.270 nan 0.000 0.481