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 1v5g_1_A DATA FIRST_RESID 4 DATA SEQUENCE NKINIGLAVM KILESWGADT IYGIPSGTLS SLMDAMGEEE NNVKFLQVKH DATA SEQUENCE EEVGAMAAVM QSKFGGNLGV TVGSGGPGAS HLINGLYDAA MDNIPVVAIL DATA SEQUENCE GSRPQRELNM DAFQELNQNP MYDHIAVYNR RVAYAEQLPK LVDEAARMAI DATA SEQUENCE AKRGVAVLEV PGDFAKVEID NDQWYSSANS LRKYAPIAPA AQDIDAAVEL DATA SEQUENCE LNNSKRPVIY AGIGTMGHGP AVQELARKIK APVITTGKNF ETFEWDFEAL DATA SEQUENCE TGSTYRVGWK PANETILEAD TVLFAGSNFP FSEVEGTFRN VDNFIQIDID DATA SEQUENCE PAMLGKRHHA DVAILGDAAL AIDEILNKVD AVEESAWWTA NLKNIANWRE DATA SEQUENCE YINMLETKEE GDLQFYQVYN AINNHADEDA IYSIDVGNST QTSIRHLHMT DATA SEQUENCE PKNMWRTSPL FATMGIAIPG GLGAKNTYPD RQVWNIIGDG AFSMTYPDVV DATA SEQUENCE TNVRYNMPVI NVVFSNTEYA FIKNKYEDTN KNLFGVDFTD VDYAKIAEAQ DATA SEQUENCE GAKGFTVSRI EDMDRVMAEA VAANKAGHTV VIDCKITQDR PIPVETLKLD DATA SEQUENCE SKLYSEDEIK AYKERYEAAN LVPFREYLEA EGLESKYIK 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 4 N HA 0.000 nan 4.740 nan 0.000 0.220 4 N C 0.000 175.549 175.510 0.066 0.000 1.280 4 N CA 0.000 53.078 53.050 0.048 0.000 0.885 4 N CB 0.000 38.508 38.487 0.036 0.000 1.341 5 K N 0.842 121.280 120.400 0.064 0.000 2.258 5 K HA 0.684 5.004 4.320 0.001 0.000 0.236 5 K C -1.036 175.612 176.600 0.079 0.000 1.008 5 K CA -0.739 55.593 56.287 0.076 0.000 0.869 5 K CB 2.707 35.240 32.500 0.054 0.000 1.171 5 K HN 0.107 nan 8.250 nan 0.000 0.447 6 I N 0.485 121.104 120.570 0.081 0.000 2.802 6 I HA 0.179 4.350 4.170 0.001 0.000 0.298 6 I C -1.122 174.993 176.117 -0.003 0.000 1.176 6 I CA -0.805 60.522 61.300 0.046 0.000 1.025 6 I CB 2.083 40.126 38.000 0.073 0.000 1.243 6 I HN 0.631 nan 8.210 nan 0.000 0.424 7 N N 6.285 124.967 118.700 -0.030 0.000 2.483 7 N HA 0.109 4.849 4.740 0.001 0.000 0.264 7 N C 0.964 176.419 175.510 -0.091 0.000 1.197 7 N CA 0.075 53.100 53.050 -0.042 0.000 0.927 7 N CB 1.084 39.549 38.487 -0.037 0.000 1.065 7 N HN 0.689 nan 8.380 nan 0.000 0.461 8 I N 3.113 123.641 120.570 -0.069 0.000 2.248 8 I HA -0.243 3.927 4.170 0.001 0.000 0.248 8 I C 2.226 178.269 176.117 -0.124 0.000 1.107 8 I CA 1.379 62.620 61.300 -0.099 0.000 1.373 8 I CB -0.363 37.614 38.000 -0.038 0.000 1.055 8 I HN 0.728 nan 8.210 nan 0.000 0.418 9 G N 0.784 109.534 108.800 -0.083 0.000 2.418 9 G HA2 -0.258 3.702 3.960 0.001 0.000 0.217 9 G HA3 -0.258 3.702 3.960 0.001 0.000 0.217 9 G C 1.613 176.440 174.900 -0.121 0.000 1.158 9 G CA 0.471 45.521 45.100 -0.082 0.000 0.771 9 G HN 0.285 nan 8.290 nan 0.000 0.545 10 L N 1.230 122.372 121.223 -0.136 0.000 2.141 10 L HA 0.264 4.604 4.340 0.001 0.000 0.209 10 L C 2.965 179.666 176.870 -0.282 0.000 1.094 10 L CA 1.838 56.585 54.840 -0.156 0.000 0.763 10 L CB -0.545 41.444 42.059 -0.117 0.000 0.908 10 L HN 0.216 nan 8.230 nan 0.000 0.437 11 A N -1.158 121.407 122.820 -0.425 0.000 1.898 11 A HA -0.127 4.194 4.320 0.001 0.000 0.216 11 A C 2.255 179.500 177.584 -0.565 0.000 1.181 11 A CA 1.839 53.372 52.037 -0.839 0.000 0.620 11 A CB -1.027 17.369 19.000 -1.007 0.000 0.819 11 A HN 0.271 nan 8.150 nan 0.000 0.442 12 V N 0.027 119.757 119.914 -0.306 0.000 2.343 12 V HA -0.290 3.830 4.120 0.001 0.000 0.247 12 V C 2.680 178.705 176.094 -0.114 0.000 1.051 12 V CA 2.041 64.242 62.300 -0.164 0.000 1.036 12 V CB -0.640 31.124 31.823 -0.099 0.000 0.654 12 V HN 0.503 nan 8.190 nan 0.000 0.451 13 M N -0.504 119.024 119.600 -0.119 0.000 2.175 13 M HA -0.134 4.346 4.480 0.001 0.000 0.264 13 M C 2.108 178.379 176.300 -0.050 0.000 1.063 13 M CA 1.603 56.864 55.300 -0.065 0.000 1.119 13 M CB -1.152 31.411 32.600 -0.061 0.000 1.377 13 M HN 0.321 nan 8.290 nan 0.000 0.415 14 K N 0.165 120.497 120.400 -0.113 0.000 2.057 14 K HA -0.057 4.264 4.320 0.001 0.000 0.207 14 K C 2.003 178.632 176.600 0.048 0.000 1.049 14 K CA 1.093 57.352 56.287 -0.048 0.000 0.931 14 K CB -0.184 32.240 32.500 -0.127 0.000 0.714 14 K HN 0.273 nan 8.250 nan 0.000 0.440 15 I N 1.138 121.723 120.570 0.026 0.000 2.202 15 I HA -0.287 3.883 4.170 0.001 0.000 0.242 15 I C 2.185 178.461 176.117 0.266 0.000 1.091 15 I CA 1.166 62.583 61.300 0.196 0.000 1.368 15 I CB -0.236 37.864 38.000 0.168 0.000 1.058 15 I HN 0.120 nan 8.210 nan 0.000 0.410 16 L N 0.301 121.615 121.223 0.151 0.000 2.046 16 L HA -0.245 4.096 4.340 0.001 0.000 0.208 16 L C 2.613 179.582 176.870 0.165 0.000 1.077 16 L CA 1.504 56.438 54.840 0.157 0.000 0.747 16 L CB -0.608 41.491 42.059 0.067 0.000 0.896 16 L HN 0.323 nan 8.230 nan 0.000 0.432 17 E N 0.157 120.419 120.200 0.104 0.000 2.110 17 E HA -0.233 4.117 4.350 0.001 0.000 0.193 17 E C 2.254 178.898 176.600 0.074 0.000 0.988 17 E CA 1.536 57.981 56.400 0.075 0.000 0.804 17 E CB 0.089 29.817 29.700 0.047 0.000 0.745 17 E HN 0.532 nan 8.360 nan 0.000 0.458 18 S N -0.678 115.068 115.700 0.077 0.000 2.423 18 S HA -0.149 4.322 4.470 0.001 0.000 0.231 18 S C 1.330 175.855 174.600 -0.125 0.000 1.014 18 S CA 0.685 58.865 58.200 -0.033 0.000 0.965 18 S CB -0.624 62.539 63.200 -0.061 0.000 0.785 18 S HN 0.425 nan 8.310 nan 0.000 0.495 19 W N 1.719 123.032 121.300 0.020 0.000 3.353 19 W HA 0.485 5.146 4.660 0.001 0.000 0.304 19 W C 1.713 178.235 176.519 0.005 0.000 1.273 19 W CA 0.138 57.488 57.345 0.009 0.000 1.773 19 W CB -0.196 29.263 29.460 -0.001 0.000 1.095 19 W HN 0.498 nan 8.180 nan 0.000 0.676 20 G N 0.312 109.208 108.800 0.160 0.000 2.179 20 G HA2 -0.262 3.698 3.960 0.001 0.000 0.260 20 G HA3 -0.262 3.698 3.960 0.001 0.000 0.260 20 G C 0.540 175.500 174.900 0.100 0.000 0.977 20 G CA -0.072 45.090 45.100 0.103 0.000 0.641 20 G HN 0.493 nan 8.290 nan 0.000 0.533 21 A N 1.052 123.951 122.820 0.132 0.000 2.990 21 A HA 0.549 4.870 4.320 0.001 0.000 0.282 21 A C 1.109 178.730 177.584 0.061 0.000 1.688 21 A CA 0.877 52.970 52.037 0.093 0.000 1.391 21 A CB -0.401 18.655 19.000 0.093 0.000 1.112 21 A HN 0.673 nan 8.150 nan 0.000 0.588 22 D N -0.130 120.291 120.400 0.035 0.000 2.328 22 D HA 0.078 4.718 4.640 0.001 0.000 0.221 22 D C 0.044 176.324 176.300 -0.033 0.000 1.072 22 D CA 0.365 54.368 54.000 0.006 0.000 0.850 22 D CB 0.116 40.914 40.800 -0.004 0.000 0.922 22 D HN 0.176 nan 8.370 nan 0.000 0.516 23 T N 0.390 114.921 114.554 -0.039 0.000 2.928 23 T HA 0.468 4.819 4.350 0.001 0.000 0.296 23 T C -0.481 174.151 174.700 -0.113 0.000 1.000 23 T CA -0.577 61.432 62.100 -0.151 0.000 0.989 23 T CB 1.624 70.336 68.868 -0.259 0.000 1.005 23 T HN 0.022 nan 8.240 nan 0.000 0.442 24 I N 3.343 123.829 120.570 -0.139 0.000 2.389 24 I HA 0.420 4.590 4.170 0.001 0.000 0.288 24 I C -1.042 175.002 176.117 -0.123 0.000 0.999 24 I CA -0.962 60.351 61.300 0.021 0.000 1.129 24 I CB 1.282 39.383 38.000 0.169 0.000 1.288 24 I HN 0.581 nan 8.210 nan 0.000 0.444 25 Y N 4.247 124.522 120.300 -0.042 0.000 2.361 25 Y HA 0.797 5.348 4.550 0.001 0.000 0.332 25 Y C 0.841 176.726 175.900 -0.026 0.000 1.101 25 Y CA -0.273 57.740 58.100 -0.145 0.000 1.137 25 Y CB 1.849 40.247 38.460 -0.104 0.000 1.207 25 Y HN 0.714 nan 8.280 nan 0.000 0.463 26 G N 1.513 110.338 108.800 0.041 0.000 2.344 26 G HA2 0.375 4.336 3.960 0.001 0.000 0.282 26 G HA3 0.375 4.336 3.960 0.001 0.000 0.282 26 G C -2.067 172.988 174.900 0.258 0.000 1.281 26 G CA -0.951 44.276 45.100 0.210 0.000 0.877 26 G HN 0.463 nan 8.290 nan 0.000 0.494 27 I N 2.289 123.068 120.570 0.348 0.000 2.569 27 I HA 0.380 4.550 4.170 0.001 0.000 0.290 27 I C -2.007 174.267 176.117 0.262 0.000 1.088 27 I CA -1.947 59.541 61.300 0.314 0.000 1.047 27 I CB 2.786 40.884 38.000 0.163 0.000 1.237 27 I HN 0.367 nan 8.210 nan 0.000 0.421 28 P HA 0.046 nan 4.420 nan 0.000 0.269 28 P C -0.623 176.693 177.300 0.027 0.000 1.211 28 P CA 0.105 63.223 63.100 0.030 0.000 0.781 28 P CB 1.309 33.016 31.700 0.012 0.000 0.877 29 S N -0.568 115.124 115.700 -0.013 0.000 2.567 29 S HA 0.502 4.973 4.470 0.001 0.000 0.270 29 S C 1.148 175.739 174.600 -0.015 0.000 1.152 29 S CA -0.079 58.120 58.200 -0.001 0.000 0.835 29 S CB 0.683 63.887 63.200 0.006 0.000 1.115 29 S HN 0.513 nan 8.310 nan 0.000 0.459 30 G N 1.088 109.889 108.800 0.001 0.000 2.422 30 G HA2 -0.104 3.857 3.960 0.001 0.000 0.218 30 G HA3 -0.104 3.857 3.960 0.001 0.000 0.218 30 G C 1.282 176.172 174.900 -0.017 0.000 1.146 30 G CA 1.570 46.668 45.100 -0.003 0.000 0.769 30 G HN 1.196 nan 8.290 nan 0.000 0.547 31 T N -1.354 113.189 114.554 -0.019 0.000 3.160 31 T HA 0.278 4.628 4.350 0.001 0.000 0.257 31 T C 1.670 176.340 174.700 -0.050 0.000 1.147 31 T CA 0.425 62.501 62.100 -0.040 0.000 1.064 31 T CB -0.023 68.819 68.868 -0.044 0.000 0.949 31 T HN 0.205 nan 8.240 nan 0.000 0.526 32 L N 0.695 121.890 121.223 -0.046 0.000 3.086 32 L HA 0.249 4.590 4.340 0.001 0.000 0.274 32 L C 2.438 179.262 176.870 -0.077 0.000 1.184 32 L CA 0.287 55.093 54.840 -0.058 0.000 1.002 32 L CB 0.145 42.173 42.059 -0.053 0.000 1.383 32 L HN 0.274 nan 8.230 nan 0.000 0.582 33 S N -0.390 115.271 115.700 -0.065 0.000 2.368 33 S HA -0.243 4.228 4.470 0.001 0.000 0.226 33 S C 2.049 176.609 174.600 -0.066 0.000 1.044 33 S CA 1.910 60.069 58.200 -0.069 0.000 1.062 33 S CB -0.558 62.615 63.200 -0.046 0.000 0.931 33 S HN 0.351 nan 8.310 nan 0.000 0.440 34 S N 2.308 117.980 115.700 -0.048 0.000 2.353 34 S HA 0.009 4.479 4.470 0.001 0.000 0.222 34 S C 1.886 176.458 174.600 -0.046 0.000 1.035 34 S CA 1.574 59.753 58.200 -0.035 0.000 1.025 34 S CB -0.742 62.451 63.200 -0.011 0.000 0.902 34 S HN 0.444 nan 8.310 nan 0.000 0.440 35 L N 0.796 121.987 121.223 -0.053 0.000 1.989 35 L HA -0.165 4.175 4.340 0.001 0.000 0.211 35 L C 2.607 179.423 176.870 -0.090 0.000 1.071 35 L CA 1.432 56.236 54.840 -0.060 0.000 0.749 35 L CB -0.479 41.548 42.059 -0.053 0.000 0.890 35 L HN 0.375 nan 8.230 nan 0.000 0.431 36 M N -1.028 118.491 119.600 -0.134 0.000 2.175 36 M HA -0.223 4.258 4.480 0.001 0.000 0.264 36 M C 1.942 178.159 176.300 -0.138 0.000 1.063 36 M CA 1.421 56.603 55.300 -0.195 0.000 1.119 36 M CB -0.631 31.771 32.600 -0.331 0.000 1.377 36 M HN 0.265 nan 8.290 nan 0.000 0.415 37 D N 0.818 121.157 120.400 -0.103 0.000 2.221 37 D HA -0.140 4.500 4.640 0.001 0.000 0.204 37 D C 1.588 177.854 176.300 -0.057 0.000 0.982 37 D CA 1.479 55.437 54.000 -0.071 0.000 0.857 37 D CB 0.273 41.041 40.800 -0.052 0.000 0.934 37 D HN 0.354 nan 8.370 nan 0.000 0.475 38 A N -0.025 122.759 122.820 -0.060 0.000 2.178 38 A HA 0.121 4.441 4.320 0.001 0.000 0.211 38 A C 1.314 178.868 177.584 -0.049 0.000 1.157 38 A CA -0.158 51.847 52.037 -0.052 0.000 0.780 38 A CB -0.240 18.725 19.000 -0.059 0.000 0.828 38 A HN 0.192 nan 8.150 nan 0.000 0.476 39 M N -0.173 119.395 119.600 -0.054 0.000 2.246 39 M HA 0.331 4.812 4.480 0.001 0.000 0.350 39 M C 1.326 177.614 176.300 -0.020 0.000 1.406 39 M CA 1.223 56.501 55.300 -0.037 0.000 1.089 39 M CB 0.298 32.875 32.600 -0.039 0.000 1.782 39 M HN 0.523 nan 8.290 nan 0.000 0.457 40 G N 1.363 110.156 108.800 -0.012 0.000 2.213 40 G HA2 -0.153 3.807 3.960 0.001 0.000 0.226 40 G HA3 -0.153 3.807 3.960 0.001 0.000 0.226 40 G C 0.130 175.027 174.900 -0.006 0.000 0.992 40 G CA -0.479 44.619 45.100 -0.004 0.000 0.632 40 G HN 0.611 nan 8.290 nan 0.000 0.511 41 E N 1.163 121.356 120.200 -0.013 0.000 2.451 41 E HA 0.210 4.560 4.350 0.001 0.000 0.256 41 E C 0.849 177.446 176.600 -0.004 0.000 1.294 41 E CA 0.058 56.452 56.400 -0.011 0.000 1.005 41 E CB -0.126 29.562 29.700 -0.019 0.000 0.990 41 E HN 0.551 nan 8.360 nan 0.000 0.505 42 E N 1.155 121.356 120.200 0.001 0.000 1.456 42 E HA -0.281 4.070 4.350 0.001 0.000 0.167 42 E C -0.455 176.153 176.600 0.013 0.000 1.030 42 E CA 0.918 57.325 56.400 0.011 0.000 0.494 42 E CB -1.304 28.407 29.700 0.018 0.000 1.038 42 E HN 0.443 nan 8.360 nan 0.000 0.257 43 E N -2.359 117.847 120.200 0.010 0.000 3.370 43 E HA -0.285 4.066 4.350 0.001 0.000 0.291 43 E C 0.146 176.752 176.600 0.010 0.000 0.916 43 E CA 0.690 57.097 56.400 0.011 0.000 0.981 43 E CB -1.160 28.549 29.700 0.015 0.000 1.498 43 E HN 0.523 nan 8.360 nan 0.000 0.452 44 N N 1.175 119.879 118.700 0.006 0.000 2.454 44 N HA 0.011 4.751 4.740 0.001 0.000 0.254 44 N C 0.235 175.748 175.510 0.004 0.000 1.228 44 N CA 0.392 53.444 53.050 0.004 0.000 0.900 44 N CB 0.480 38.962 38.487 -0.008 0.000 1.089 44 N HN 0.089 nan 8.380 nan 0.000 0.449 45 N N 1.916 120.619 118.700 0.005 0.000 2.328 45 N HA 0.095 4.835 4.740 0.001 0.000 0.247 45 N C -1.047 174.463 175.510 -0.001 0.000 1.165 45 N CA -0.088 52.963 53.050 0.002 0.000 0.873 45 N CB 0.641 39.129 38.487 0.002 0.000 1.125 45 N HN 0.199 nan 8.380 nan 0.000 0.513 46 V N 2.633 122.548 119.914 0.001 0.000 2.405 46 V HA 0.069 4.190 4.120 0.001 0.000 0.264 46 V C 0.652 176.748 176.094 0.004 0.000 1.048 46 V CA -0.377 61.924 62.300 0.001 0.000 0.966 46 V CB 0.139 31.966 31.823 0.008 0.000 1.015 46 V HN 0.220 nan 8.190 nan 0.000 0.477 47 K N 4.544 124.932 120.400 -0.019 0.000 2.095 47 K HA 0.623 4.944 4.320 0.001 0.000 0.252 47 K C -0.928 175.668 176.600 -0.006 0.000 0.977 47 K CA -0.671 55.606 56.287 -0.016 0.000 0.900 47 K CB 1.637 34.096 32.500 -0.069 0.000 1.060 47 K HN 0.347 nan 8.250 nan 0.000 0.449 48 F N 2.593 122.458 119.950 -0.141 0.000 2.427 48 F HA 0.392 4.920 4.527 0.001 0.000 0.346 48 F C -1.295 174.353 175.800 -0.253 0.000 1.120 48 F CA -1.324 56.581 58.000 -0.159 0.000 1.033 48 F CB 1.145 40.109 39.000 -0.060 0.000 1.126 48 F HN 0.472 nan 8.300 nan 0.000 0.462 49 L N 6.950 127.546 121.223 -1.045 0.000 2.295 49 L HA 0.377 4.717 4.340 0.001 0.000 0.281 49 L C -0.470 175.778 176.870 -1.037 0.000 1.018 49 L CA -0.453 53.698 54.840 -1.148 0.000 0.841 49 L CB 0.961 42.334 42.059 -1.143 0.000 1.218 49 L HN 0.666 nan 8.230 nan 0.000 0.424 50 Q N 4.144 123.584 119.800 -0.601 0.000 2.295 50 Q HA 0.368 4.708 4.340 0.001 0.000 0.259 50 Q C -0.665 175.352 176.000 0.028 0.000 0.976 50 Q CA -0.525 55.115 55.803 -0.273 0.000 0.923 50 Q CB 1.299 30.099 28.738 0.103 0.000 1.185 50 Q HN 0.606 nan 8.270 nan 0.000 0.410 51 V N 1.834 121.755 119.914 0.012 0.000 3.302 51 V HA 0.450 4.570 4.120 0.001 0.000 0.316 51 V C 0.470 176.617 176.094 0.088 0.000 1.111 51 V CA -0.665 61.683 62.300 0.080 0.000 1.029 51 V CB 1.639 33.514 31.823 0.087 0.000 1.170 51 V HN 0.724 nan 8.190 nan 0.000 0.452 52 K N -0.648 119.804 120.400 0.086 0.000 2.361 52 K HA 0.244 4.564 4.320 0.001 0.000 0.194 52 K C 0.064 176.724 176.600 0.099 0.000 1.032 52 K CA 0.541 56.875 56.287 0.079 0.000 1.048 52 K CB -0.019 32.516 32.500 0.058 0.000 0.842 52 K HN 0.872 nan 8.250 nan 0.000 0.526 53 H N 0.362 119.428 119.070 -0.006 0.000 2.877 53 H HA 0.149 4.705 4.556 0.001 0.000 0.347 53 H C -0.161 175.153 175.328 -0.023 0.000 1.042 53 H CA -0.030 55.988 56.048 -0.049 0.000 1.276 53 H CB 1.617 31.291 29.762 -0.147 0.000 1.681 53 H HN -0.163 nan 8.280 nan 0.000 0.521 54 E N 2.272 122.482 120.200 0.017 0.000 2.267 54 E HA -0.225 4.126 4.350 0.001 0.000 0.197 54 E C 1.771 178.477 176.600 0.176 0.000 0.998 54 E CA 1.541 58.018 56.400 0.128 0.000 0.830 54 E CB 0.204 29.997 29.700 0.154 0.000 0.751 54 E HN 0.784 nan 8.360 nan 0.000 0.491 55 E N 0.371 120.754 120.200 0.306 0.000 2.150 55 E HA -0.143 4.207 4.350 0.001 0.000 0.193 55 E C 1.799 178.431 176.600 0.055 0.000 0.985 55 E CA 1.160 57.653 56.400 0.154 0.000 0.814 55 E CB -0.133 29.602 29.700 0.058 0.000 0.752 55 E HN 0.117 nan 8.360 nan 0.000 0.466 56 V N 1.364 121.311 119.914 0.056 0.000 2.515 56 V HA -0.113 4.008 4.120 0.001 0.000 0.250 56 V C 2.418 178.502 176.094 -0.016 0.000 1.058 56 V CA 1.784 64.086 62.300 0.004 0.000 1.064 56 V CB -0.547 31.286 31.823 0.016 0.000 0.675 56 V HN 0.560 nan 8.190 nan 0.000 0.461 57 G N -0.372 108.445 108.800 0.028 0.000 2.394 57 G HA2 -0.144 3.816 3.960 0.001 0.000 0.215 57 G HA3 -0.144 3.816 3.960 0.001 0.000 0.215 57 G C 1.773 176.612 174.900 -0.102 0.000 1.165 57 G CA 0.915 46.025 45.100 0.018 0.000 0.784 57 G HN 0.572 nan 8.290 nan 0.000 0.535 58 A N 0.659 123.457 122.820 -0.038 0.000 1.902 58 A HA 0.050 4.370 4.320 0.001 0.000 0.217 58 A C 2.447 179.956 177.584 -0.124 0.000 1.181 58 A CA 1.744 53.741 52.037 -0.067 0.000 0.623 58 A CB -0.356 18.631 19.000 -0.021 0.000 0.818 58 A HN 0.371 nan 8.150 nan 0.000 0.443 59 M N -0.738 118.802 119.600 -0.100 0.000 2.229 59 M HA -0.106 4.374 4.480 0.001 0.000 0.264 59 M C 2.477 178.676 176.300 -0.169 0.000 1.063 59 M CA 1.226 56.469 55.300 -0.096 0.000 1.114 59 M CB -0.330 32.244 32.600 -0.043 0.000 1.387 59 M HN 0.504 nan 8.290 nan 0.000 0.420 60 A N 0.324 122.964 122.820 -0.300 0.000 1.898 60 A HA 0.011 4.331 4.320 0.001 0.000 0.216 60 A C 2.347 179.532 177.584 -0.665 0.000 1.181 60 A CA 1.671 53.421 52.037 -0.478 0.000 0.620 60 A CB -0.809 17.778 19.000 -0.688 0.000 0.819 60 A HN 0.471 nan 8.150 nan 0.000 0.442 61 A N -0.522 121.836 122.820 -0.770 0.000 1.933 61 A HA 0.009 4.330 4.320 0.001 0.000 0.218 61 A C 2.213 179.688 177.584 -0.180 0.000 1.175 61 A CA 1.861 53.634 52.037 -0.440 0.000 0.628 61 A CB -0.765 18.113 19.000 -0.204 0.000 0.814 61 A HN 0.362 nan 8.150 nan 0.000 0.444 62 V N -0.284 119.533 119.914 -0.162 0.000 2.283 62 V HA -0.216 3.904 4.120 0.001 0.000 0.243 62 V C 2.591 178.642 176.094 -0.072 0.000 1.039 62 V CA 1.764 64.006 62.300 -0.097 0.000 1.016 62 V CB -0.624 31.144 31.823 -0.091 0.000 0.650 62 V HN 0.481 nan 8.190 nan 0.000 0.449 63 M N -0.230 119.328 119.600 -0.069 0.000 2.267 63 M HA -0.221 4.260 4.480 0.001 0.000 0.263 63 M C 2.183 178.544 176.300 0.100 0.000 1.063 63 M CA 1.504 56.789 55.300 -0.024 0.000 1.090 63 M CB -1.232 31.404 32.600 0.061 0.000 1.392 63 M HN 0.495 nan 8.290 nan 0.000 0.422 64 Q N -0.124 119.720 119.800 0.073 0.000 2.096 64 Q HA -0.154 4.186 4.340 0.001 0.000 0.204 64 Q C 1.980 178.058 176.000 0.131 0.000 0.982 64 Q CA 2.106 57.990 55.803 0.135 0.000 0.850 64 Q CB 0.185 28.974 28.738 0.085 0.000 0.901 64 Q HN 0.430 nan 8.270 nan 0.000 0.422 65 S N 0.201 115.937 115.700 0.061 0.000 2.387 65 S HA -0.051 4.419 4.470 0.001 0.000 0.226 65 S C 1.645 176.271 174.600 0.043 0.000 1.026 65 S CA 0.838 59.069 58.200 0.052 0.000 0.972 65 S CB -0.017 63.194 63.200 0.018 0.000 0.814 65 S HN 0.325 nan 8.310 nan 0.000 0.477 66 K N 0.449 120.833 120.400 -0.027 0.000 2.103 66 K HA -0.072 4.248 4.320 0.001 0.000 0.207 66 K C 0.920 177.452 176.600 -0.114 0.000 1.048 66 K CA 1.188 57.398 56.287 -0.128 0.000 0.930 66 K CB -0.290 32.033 32.500 -0.296 0.000 0.716 66 K HN 0.316 nan 8.250 nan 0.000 0.444 67 F N 0.198 120.219 119.950 0.119 0.000 2.769 67 F HA 0.133 4.661 4.527 0.001 0.000 0.304 67 F C 1.348 177.295 175.800 0.245 0.000 1.158 67 F CA 0.494 58.606 58.000 0.186 0.000 1.398 67 F CB 0.130 39.268 39.000 0.229 0.000 1.094 67 F HN 0.222 nan 8.300 nan 0.000 0.553 68 G N -0.034 108.940 108.800 0.290 0.000 2.136 68 G HA2 -0.186 3.775 3.960 0.001 0.000 0.242 68 G HA3 -0.186 3.775 3.960 0.001 0.000 0.242 68 G C 0.759 175.767 174.900 0.180 0.000 0.989 68 G CA -0.128 45.115 45.100 0.239 0.000 0.682 68 G HN 0.765 nan 8.290 nan 0.000 0.522 69 G N -0.607 108.275 108.800 0.137 0.000 2.510 69 G HA2 0.535 4.496 3.960 0.001 0.000 0.280 69 G HA3 0.535 4.496 3.960 0.001 0.000 0.280 69 G C 0.264 175.190 174.900 0.044 0.000 1.386 69 G CA -0.341 44.778 45.100 0.032 0.000 1.047 69 G HN 0.311 nan 8.290 nan 0.000 0.527 70 N N -0.883 117.833 118.700 0.028 0.000 2.381 70 N HA 0.123 4.863 4.740 0.001 0.000 0.254 70 N C -0.002 175.545 175.510 0.062 0.000 1.264 70 N CA -0.608 52.471 53.050 0.048 0.000 0.942 70 N CB 1.049 39.561 38.487 0.041 0.000 1.190 70 N HN 0.300 nan 8.380 nan 0.000 0.495 71 L N 0.807 122.072 121.223 0.070 0.000 2.559 71 L HA 0.194 4.534 4.340 0.001 0.000 0.274 71 L C 0.718 177.623 176.870 0.059 0.000 1.205 71 L CA 0.313 55.185 54.840 0.053 0.000 0.907 71 L CB -0.408 41.682 42.059 0.051 0.000 1.153 71 L HN 0.558 nan 8.230 nan 0.000 0.490 72 G N 4.607 113.436 108.800 0.050 0.000 2.425 72 G HA2 0.575 4.536 3.960 0.001 0.000 0.302 72 G HA3 0.575 4.536 3.960 0.001 0.000 0.302 72 G C -1.276 173.666 174.900 0.069 0.000 1.159 72 G CA -0.545 44.609 45.100 0.091 0.000 0.865 72 G HN 0.613 nan 8.290 nan 0.000 0.515 73 V N 0.182 120.174 119.914 0.131 0.000 2.588 73 V HA 0.684 4.805 4.120 0.001 0.000 0.304 73 V C 0.027 176.215 176.094 0.157 0.000 1.042 73 V CA -0.676 61.682 62.300 0.097 0.000 0.877 73 V CB 1.870 33.740 31.823 0.078 0.000 0.996 73 V HN 0.878 nan 8.190 nan 0.000 0.425 74 T N 3.682 118.294 114.554 0.097 0.000 2.876 74 T HA 0.738 5.089 4.350 0.001 0.000 0.289 74 T C -0.993 173.768 174.700 0.101 0.000 1.014 74 T CA -0.412 61.758 62.100 0.116 0.000 0.986 74 T CB 1.523 70.419 68.868 0.046 0.000 1.021 74 T HN 0.909 nan 8.240 nan 0.000 0.458 75 V N 1.705 121.704 119.914 0.141 0.000 2.628 75 V HA 1.045 5.166 4.120 0.001 0.000 0.306 75 V C 0.080 176.247 176.094 0.121 0.000 1.045 75 V CA -0.683 61.690 62.300 0.122 0.000 0.905 75 V CB 1.513 33.420 31.823 0.140 0.000 0.997 75 V HN 1.129 nan 8.190 nan 0.000 0.436 76 G N 2.087 110.942 108.800 0.093 0.000 2.707 76 G HA2 0.587 4.548 3.960 0.001 0.000 0.299 76 G HA3 0.587 4.548 3.960 0.001 0.000 0.299 76 G C -0.300 174.632 174.900 0.054 0.000 1.442 76 G CA -0.098 45.056 45.100 0.090 0.000 1.009 76 G HN 1.415 nan 8.290 nan 0.000 0.515 77 S N 1.316 117.037 115.700 0.035 0.000 2.568 77 S HA 0.479 4.950 4.470 0.001 0.000 0.282 77 S C 1.066 175.652 174.600 -0.023 0.000 1.338 77 S CA 0.089 58.291 58.200 0.002 0.000 1.045 77 S CB 1.149 64.348 63.200 -0.002 0.000 0.873 77 S HN 1.462 nan 8.310 nan 0.000 0.516 78 G N 1.508 110.284 108.800 -0.040 0.000 2.138 78 G HA2 0.430 4.390 3.960 0.001 0.000 0.244 78 G HA3 0.430 4.390 3.960 0.001 0.000 0.244 78 G C 1.034 175.878 174.900 -0.094 0.000 1.166 78 G CA -0.013 45.049 45.100 -0.064 0.000 0.902 78 G HN 1.924 nan 8.290 nan 0.000 0.460 79 G N 3.863 112.607 108.800 -0.093 0.000 2.728 79 G HA2 -0.243 3.717 3.960 0.001 0.000 0.269 79 G HA3 -0.243 3.717 3.960 0.001 0.000 0.269 79 G C -0.347 174.479 174.900 -0.123 0.000 1.334 79 G CA 0.525 45.552 45.100 -0.122 0.000 0.974 79 G HN 0.801 nan 8.290 nan 0.000 0.550 80 P HA -0.001 nan 4.420 nan 0.000 0.218 80 P C 1.895 179.032 177.300 -0.272 0.000 1.149 80 P CA 2.655 65.608 63.100 -0.246 0.000 0.817 80 P CB -0.620 30.927 31.700 -0.254 0.000 0.785 81 G N 0.524 109.246 108.800 -0.129 0.000 2.394 81 G HA2 -0.120 3.841 3.960 0.001 0.000 0.215 81 G HA3 -0.120 3.841 3.960 0.001 0.000 0.215 81 G C 1.847 176.780 174.900 0.055 0.000 1.165 81 G CA 0.913 45.995 45.100 -0.030 0.000 0.784 81 G HN 0.341 nan 8.290 nan 0.000 0.535 82 A N 1.442 124.291 122.820 0.049 0.000 1.902 82 A HA -0.029 4.292 4.320 0.001 0.000 0.217 82 A C 2.731 180.447 177.584 0.220 0.000 1.181 82 A CA 2.556 54.675 52.037 0.136 0.000 0.623 82 A CB -0.760 18.300 19.000 0.100 0.000 0.818 82 A HN 0.701 nan 8.150 nan 0.000 0.443 83 S N -0.915 114.845 115.700 0.099 0.000 2.423 83 S HA -0.205 4.265 4.470 0.001 0.000 0.231 83 S C 1.624 176.380 174.600 0.259 0.000 1.014 83 S CA 1.310 59.583 58.200 0.121 0.000 0.965 83 S CB -0.970 62.223 63.200 -0.012 0.000 0.785 83 S HN 0.763 nan 8.310 nan 0.000 0.495 84 H N 0.819 119.965 119.070 0.127 0.000 2.545 84 H HA 0.193 4.750 4.556 0.001 0.000 0.282 84 H C 1.493 176.931 175.328 0.183 0.000 1.020 84 H CA 0.833 56.970 56.048 0.148 0.000 1.243 84 H CB -0.123 29.659 29.762 0.032 0.000 1.377 84 H HN 0.382 nan 8.280 nan 0.000 0.581 85 L N -0.009 121.395 121.223 0.302 0.000 2.395 85 L HA -0.081 4.260 4.340 0.001 0.000 0.218 85 L C 2.316 179.272 176.870 0.142 0.000 1.130 85 L CA 0.179 55.122 54.840 0.172 0.000 0.826 85 L CB -0.137 41.970 42.059 0.080 0.000 0.941 85 L HN 0.335 nan 8.230 nan 0.000 0.451 86 I N 1.067 121.829 120.570 0.320 0.000 2.113 86 I HA -0.436 3.734 4.170 0.001 0.000 0.242 86 I C 2.106 178.362 176.117 0.232 0.000 1.057 86 I CA 2.000 63.525 61.300 0.376 0.000 1.314 86 I CB 0.033 38.287 38.000 0.424 0.000 1.022 86 I HN 0.385 nan 8.210 nan 0.000 0.408 87 N N 0.746 119.564 118.700 0.196 0.000 2.223 87 N HA -0.125 4.616 4.740 0.001 0.000 0.185 87 N C 1.665 177.260 175.510 0.143 0.000 1.016 87 N CA 1.434 54.627 53.050 0.239 0.000 0.863 87 N CB -0.545 38.078 38.487 0.228 0.000 0.983 87 N HN 0.566 nan 8.380 nan 0.000 0.429 88 G N 0.086 108.926 108.800 0.066 0.000 2.403 88 G HA2 -0.084 3.877 3.960 0.001 0.000 0.216 88 G HA3 -0.084 3.877 3.960 0.001 0.000 0.216 88 G C 1.391 176.248 174.900 -0.072 0.000 1.154 88 G CA 0.236 45.335 45.100 -0.001 0.000 0.784 88 G HN 0.200 nan 8.290 nan 0.000 0.538 89 L N -1.234 119.921 121.223 -0.113 0.000 2.109 89 L HA 0.048 4.388 4.340 0.001 0.000 0.207 89 L C 2.579 179.300 176.870 -0.247 0.000 1.086 89 L CA 0.705 55.410 54.840 -0.224 0.000 0.760 89 L CB -0.434 41.363 42.059 -0.436 0.000 0.910 89 L HN 0.154 nan 8.230 nan 0.000 0.437 90 Y N 0.455 120.511 120.300 -0.406 0.000 2.293 90 Y HA -0.285 4.265 4.550 0.000 0.000 0.291 90 Y C 2.425 177.910 175.900 -0.692 0.000 1.137 90 Y CA 1.731 59.420 58.100 -0.685 0.000 1.202 90 Y CB -0.069 37.607 38.460 -1.306 0.000 0.990 90 Y HN 0.259 nan 8.280 nan 0.000 0.537 91 D N -0.446 119.756 120.400 -0.330 0.000 2.097 91 D HA -0.186 4.454 4.640 0.001 0.000 0.197 91 D C 2.213 178.469 176.300 -0.073 0.000 0.984 91 D CA 1.360 55.320 54.000 -0.066 0.000 0.826 91 D CB -0.188 40.662 40.800 0.082 0.000 0.973 91 D HN 0.240 nan 8.370 nan 0.000 0.460 92 A N 0.468 123.222 122.820 -0.111 0.000 1.902 92 A HA 0.031 4.351 4.320 0.001 0.000 0.217 92 A C 2.372 179.885 177.584 -0.120 0.000 1.181 92 A CA 2.159 54.134 52.037 -0.104 0.000 0.623 92 A CB -1.108 17.820 19.000 -0.120 0.000 0.818 92 A HN 0.341 nan 8.150 nan 0.000 0.443 93 A N -0.445 122.264 122.820 -0.185 0.000 1.877 93 A HA -0.132 4.188 4.320 0.001 0.000 0.216 93 A C 2.267 179.772 177.584 -0.131 0.000 1.186 93 A CA 1.849 53.768 52.037 -0.198 0.000 0.620 93 A CB -0.543 18.260 19.000 -0.329 0.000 0.822 93 A HN 0.520 nan 8.150 nan 0.000 0.443 94 M N -0.904 118.634 119.600 -0.104 0.000 2.229 94 M HA -0.107 4.374 4.480 0.001 0.000 0.264 94 M C 0.789 177.095 176.300 0.010 0.000 1.063 94 M CA 1.316 56.607 55.300 -0.015 0.000 1.114 94 M CB -0.439 32.203 32.600 0.071 0.000 1.387 94 M HN 0.241 nan 8.290 nan 0.000 0.420 95 D N 0.269 120.670 120.400 0.002 0.000 2.339 95 D HA 0.054 4.694 4.640 0.001 0.000 0.217 95 D C -0.319 175.980 176.300 -0.003 0.000 1.050 95 D CA 0.235 54.245 54.000 0.016 0.000 0.856 95 D CB -0.221 40.590 40.800 0.018 0.000 0.922 95 D HN 0.331 nan 8.370 nan 0.000 0.518 96 N N 0.101 118.785 118.700 -0.026 0.000 2.727 96 N HA -0.151 4.590 4.740 0.001 0.000 0.251 96 N C -0.976 174.517 175.510 -0.028 0.000 1.040 96 N CA 0.032 53.064 53.050 -0.030 0.000 0.712 96 N CB -0.457 38.024 38.487 -0.011 0.000 0.912 96 N HN 0.162 nan 8.380 nan 0.000 0.545 97 I N 0.807 121.352 120.570 -0.042 0.000 2.377 97 I HA 0.366 4.537 4.170 0.001 0.000 0.293 97 I C -1.845 174.240 176.117 -0.053 0.000 0.987 97 I CA -2.406 58.870 61.300 -0.039 0.000 1.185 97 I CB 0.890 38.864 38.000 -0.043 0.000 1.341 97 I HN -0.081 nan 8.210 nan 0.000 0.455 98 P HA 0.202 nan 4.420 nan 0.000 0.271 98 P C -0.675 176.588 177.300 -0.062 0.000 1.216 98 P CA -0.008 63.057 63.100 -0.057 0.000 0.771 98 P CB 2.085 33.758 31.700 -0.045 0.000 0.864 99 V N 4.134 124.000 119.914 -0.080 0.000 2.950 99 V HA 0.192 4.312 4.120 0.001 0.000 0.295 99 V C -1.208 174.835 176.094 -0.085 0.000 1.297 99 V CA -0.697 61.558 62.300 -0.075 0.000 0.962 99 V CB 2.565 34.338 31.823 -0.084 0.000 1.081 99 V HN 0.200 nan 8.190 nan 0.000 0.432 100 V N 5.802 125.675 119.914 -0.069 0.000 2.394 100 V HA 0.862 4.983 4.120 0.001 0.000 0.282 100 V C 0.505 176.576 176.094 -0.039 0.000 1.031 100 V CA 0.228 62.489 62.300 -0.065 0.000 0.881 100 V CB 1.474 33.252 31.823 -0.075 0.000 0.982 100 V HN 1.209 nan 8.190 nan 0.000 0.451 101 A N 6.565 129.361 122.820 -0.040 0.000 2.304 101 A HA 0.827 5.148 4.320 0.001 0.000 0.314 101 A C -0.705 176.883 177.584 0.007 0.000 1.187 101 A CA -0.468 51.551 52.037 -0.030 0.000 0.810 101 A CB 0.568 19.512 19.000 -0.094 0.000 1.183 101 A HN 0.778 nan 8.150 nan 0.000 0.487 102 I N 3.303 123.889 120.570 0.026 0.000 2.330 102 I HA 0.227 4.398 4.170 0.001 0.000 0.289 102 I C -1.088 175.054 176.117 0.042 0.000 1.001 102 I CA -0.695 60.624 61.300 0.032 0.000 1.193 102 I CB 1.515 39.532 38.000 0.028 0.000 1.345 102 I HN 0.392 nan 8.210 nan 0.000 0.461 103 L N 6.452 127.700 121.223 0.042 0.000 2.257 103 L HA 0.481 4.821 4.340 0.001 0.000 0.290 103 L C 0.814 177.687 176.870 0.005 0.000 1.044 103 L CA -0.065 54.801 54.840 0.043 0.000 0.810 103 L CB 0.921 43.018 42.059 0.063 0.000 1.193 103 L HN 0.559 nan 8.230 nan 0.000 0.425 104 G N 1.426 110.223 108.800 -0.005 0.000 2.606 104 G HA2 0.475 4.435 3.960 0.001 0.000 0.252 104 G HA3 0.475 4.435 3.960 0.001 0.000 0.252 104 G C -0.401 174.464 174.900 -0.057 0.000 1.206 104 G CA -0.076 45.002 45.100 -0.036 0.000 0.861 104 G HN 0.583 nan 8.290 nan 0.000 0.561 105 S N -0.783 114.862 115.700 -0.091 0.000 2.596 105 S HA 0.559 5.029 4.470 0.001 0.000 0.270 105 S C -0.270 174.260 174.600 -0.117 0.000 1.155 105 S CA -0.937 57.200 58.200 -0.105 0.000 0.827 105 S CB 1.109 64.236 63.200 -0.121 0.000 1.130 105 S HN 0.595 nan 8.310 nan 0.000 0.467 106 R N 1.168 121.608 120.500 -0.099 0.000 2.827 106 R HA 0.310 4.651 4.340 0.001 0.000 0.269 106 R C -2.529 173.697 176.300 -0.123 0.000 1.048 106 R CA -1.614 54.439 56.100 -0.079 0.000 1.173 106 R CB -1.348 28.922 30.300 -0.050 0.000 1.070 106 R HN 0.475 nan 8.270 nan 0.000 0.498 107 P HA -0.016 nan 4.420 nan 0.000 0.270 107 P C 0.580 177.812 177.300 -0.113 0.000 1.223 107 P CA -0.110 62.914 63.100 -0.126 0.000 0.785 107 P CB 0.421 32.090 31.700 -0.051 0.000 0.923 108 Q N 2.596 122.322 119.800 -0.124 0.000 2.112 108 Q HA -0.288 4.052 4.340 0.001 0.000 0.206 108 Q C 1.956 177.970 176.000 0.023 0.000 0.987 108 Q CA 1.911 57.703 55.803 -0.019 0.000 0.858 108 Q CB -0.159 28.674 28.738 0.160 0.000 0.905 108 Q HN 0.353 nan 8.270 nan 0.000 0.420 109 R N -0.304 120.214 120.500 0.031 0.000 2.159 109 R HA -0.151 4.190 4.340 0.001 0.000 0.237 109 R C 1.351 177.661 176.300 0.017 0.000 1.131 109 R CA 1.774 57.893 56.100 0.031 0.000 0.982 109 R CB -0.292 30.027 30.300 0.032 0.000 0.868 109 R HN 0.382 nan 8.270 nan 0.000 0.453 110 E N 1.079 121.281 120.200 0.004 0.000 2.385 110 E HA 0.113 4.464 4.350 0.001 0.000 0.194 110 E C 0.183 176.781 176.600 -0.004 0.000 1.013 110 E CA -0.188 56.214 56.400 0.003 0.000 0.866 110 E CB 0.114 29.816 29.700 0.003 0.000 0.832 110 E HN 0.286 nan 8.360 nan 0.000 0.500 111 L N 2.209 123.425 121.223 -0.011 0.000 2.525 111 L HA -0.052 4.289 4.340 0.001 0.000 0.278 111 L C 0.568 177.436 176.870 -0.002 0.000 1.218 111 L CA -0.032 54.800 54.840 -0.013 0.000 0.878 111 L CB 0.043 42.096 42.059 -0.011 0.000 1.127 111 L HN 0.223 nan 8.230 nan 0.000 0.492 112 N N 1.452 120.147 118.700 -0.008 0.000 2.936 112 N HA -0.195 4.546 4.740 0.001 0.000 0.236 112 N C 0.634 176.144 175.510 -0.000 0.000 0.930 112 N CA 1.277 54.325 53.050 -0.004 0.000 0.966 112 N CB -0.556 37.933 38.487 0.003 0.000 1.090 112 N HN 0.589 nan 8.380 nan 0.000 0.592 113 M N 0.432 120.033 119.600 0.001 0.000 2.561 113 M HA 0.076 4.556 4.480 0.001 0.000 0.238 113 M C -0.158 176.146 176.300 0.007 0.000 1.131 113 M CA 0.516 55.820 55.300 0.007 0.000 1.046 113 M CB -0.533 32.074 32.600 0.011 0.000 1.532 113 M HN -0.018 nan 8.290 nan 0.000 0.497 114 D N 1.039 121.438 120.400 -0.000 0.000 2.699 114 D HA -0.126 4.515 4.640 0.001 0.000 0.239 114 D C 0.252 176.560 176.300 0.014 0.000 1.136 114 D CA 0.831 54.831 54.000 -0.001 0.000 0.668 114 D CB -0.960 39.841 40.800 0.001 0.000 1.060 114 D HN 0.443 nan 8.370 nan 0.000 0.429 115 A N -0.229 122.602 122.820 0.018 0.000 2.301 115 A HA 0.574 4.894 4.320 0.001 0.000 0.287 115 A C 0.223 177.854 177.584 0.080 0.000 1.274 115 A CA -0.513 51.557 52.037 0.056 0.000 0.865 115 A CB 0.278 19.310 19.000 0.054 0.000 1.324 115 A HN 0.159 nan 8.150 nan 0.000 0.508 116 F N 0.325 120.262 119.950 -0.022 0.000 2.543 116 F HA 0.244 4.772 4.527 0.001 0.000 0.375 116 F C 1.259 177.042 175.800 -0.029 0.000 1.075 116 F CA 1.205 59.191 58.000 -0.023 0.000 1.225 116 F CB -0.005 38.981 39.000 -0.022 0.000 1.099 116 F HN 0.787 nan 8.300 nan 0.000 0.561 117 Q N 2.487 121.818 119.800 -0.782 0.000 2.457 117 Q HA -0.289 4.052 4.340 0.001 0.000 0.283 117 Q C -0.723 175.101 176.000 -0.293 0.000 1.234 117 Q CA 1.025 56.441 55.803 -0.645 0.000 0.877 117 Q CB -0.825 27.377 28.738 -0.893 0.000 1.250 117 Q HN 0.739 nan 8.270 nan 0.000 0.481 118 E N 1.061 121.151 120.200 -0.184 0.000 2.129 118 E HA 0.530 4.880 4.350 0.001 0.000 0.268 118 E C -0.761 175.784 176.600 -0.091 0.000 0.900 118 E CA -0.510 55.827 56.400 -0.105 0.000 0.755 118 E CB 0.779 30.446 29.700 -0.054 0.000 1.117 118 E HN 0.418 nan 8.360 nan 0.000 0.410 119 L N 2.003 123.174 121.223 -0.087 0.000 2.600 119 L HA 0.610 4.950 4.340 0.001 0.000 0.257 119 L C -0.863 175.968 176.870 -0.065 0.000 1.048 119 L CA -1.267 53.529 54.840 -0.074 0.000 0.869 119 L CB 1.703 43.710 42.059 -0.087 0.000 1.482 119 L HN 0.180 nan 8.230 nan 0.000 0.408 120 N N 1.002 119.669 118.700 -0.056 0.000 2.402 120 N HA 0.232 4.972 4.740 0.001 0.000 0.252 120 N C -0.063 175.411 175.510 -0.060 0.000 1.118 120 N CA -0.005 53.015 53.050 -0.049 0.000 0.945 120 N CB 0.955 39.419 38.487 -0.039 0.000 1.147 120 N HN 0.778 nan 8.380 nan 0.000 0.495 121 Q N 1.814 121.578 119.800 -0.060 0.000 2.360 121 Q HA 0.063 4.403 4.340 0.001 0.000 0.202 121 Q C 1.087 177.050 176.000 -0.062 0.000 0.915 121 Q CA -0.133 55.627 55.803 -0.072 0.000 0.943 121 Q CB 0.148 28.852 28.738 -0.056 0.000 1.064 121 Q HN 0.639 nan 8.270 nan 0.000 0.511 122 N N 1.523 120.196 118.700 -0.046 0.000 2.166 122 N HA -0.102 4.639 4.740 0.001 0.000 0.186 122 N C -1.007 174.481 175.510 -0.037 0.000 1.019 122 N CA 1.027 54.056 53.050 -0.034 0.000 0.856 122 N CB -0.146 38.322 38.487 -0.033 0.000 0.993 122 N HN 0.163 nan 8.380 nan 0.000 0.426 123 P HA -0.056 nan 4.420 nan 0.000 0.219 123 P C 1.736 178.989 177.300 -0.079 0.000 1.150 123 P CA 0.721 63.794 63.100 -0.046 0.000 0.814 123 P CB -0.049 31.623 31.700 -0.047 0.000 0.787 124 M N -1.541 117.958 119.600 -0.168 0.000 2.147 124 M HA -0.257 4.223 4.480 0.001 0.000 0.253 124 M C 0.577 176.596 176.300 -0.468 0.000 1.075 124 M CA 2.180 57.245 55.300 -0.392 0.000 1.085 124 M CB -0.256 31.996 32.600 -0.580 0.000 1.305 124 M HN -0.039 nan 8.290 nan 0.000 0.409 125 Y N -1.693 118.628 120.300 0.034 0.000 2.682 125 Y HA 0.157 4.707 4.550 0.000 0.000 0.251 125 Y C 1.092 176.981 175.900 -0.017 0.000 1.172 125 Y CA -0.486 57.623 58.100 0.015 0.000 1.186 125 Y CB -0.353 38.102 38.460 -0.009 0.000 1.216 125 Y HN 0.293 nan 8.280 nan 0.000 0.540 126 D N -0.206 120.254 120.400 0.101 0.000 2.144 126 D HA -0.238 4.403 4.640 0.001 0.000 0.199 126 D C 2.112 178.447 176.300 0.057 0.000 0.984 126 D CA 1.679 55.713 54.000 0.057 0.000 0.834 126 D CB 0.163 40.984 40.800 0.035 0.000 0.955 126 D HN 0.417 nan 8.370 nan 0.000 0.465 127 H N -0.124 118.947 119.070 0.003 0.000 2.387 127 H HA -0.054 4.502 4.556 0.001 0.000 0.299 127 H C 1.904 177.188 175.328 -0.075 0.000 1.090 127 H CA 1.988 58.025 56.048 -0.018 0.000 1.332 127 H CB -0.165 29.606 29.762 0.015 0.000 1.386 127 H HN 0.440 nan 8.280 nan 0.000 0.516 128 I N -2.515 117.914 120.570 -0.235 0.000 3.941 128 I HA 0.441 4.611 4.170 0.001 0.000 0.321 128 I C 0.975 176.944 176.117 -0.247 0.000 1.284 128 I CA -0.054 61.019 61.300 -0.379 0.000 1.226 128 I CB 0.145 37.795 38.000 -0.583 0.000 1.045 128 I HN 0.203 nan 8.210 nan 0.000 0.420 129 A N 1.634 124.371 122.820 -0.137 0.000 2.322 129 A HA 0.474 4.794 4.320 0.001 0.000 0.269 129 A C 1.070 178.617 177.584 -0.061 0.000 1.094 129 A CA 0.108 52.093 52.037 -0.086 0.000 0.807 129 A CB 0.867 19.853 19.000 -0.024 0.000 1.047 129 A HN 0.408 nan 8.150 nan 0.000 0.487 130 V N -1.636 118.263 119.914 -0.025 0.000 3.650 130 V HA 0.374 4.494 4.120 0.001 0.000 0.271 130 V C -0.003 176.160 176.094 0.116 0.000 1.281 130 V CA 0.503 62.809 62.300 0.010 0.000 1.120 130 V CB -1.128 30.688 31.823 -0.011 0.000 0.856 130 V HN 0.777 nan 8.190 nan 0.000 0.443 131 Y N 1.259 121.519 120.300 -0.066 0.000 2.390 131 Y HA 0.647 5.197 4.550 0.001 0.000 0.324 131 Y C -1.216 174.659 175.900 -0.042 0.000 1.151 131 Y CA -1.254 56.813 58.100 -0.055 0.000 1.053 131 Y CB 1.727 40.145 38.460 -0.071 0.000 1.277 131 Y HN 0.235 nan 8.280 nan 0.000 0.432 132 N N 4.734 123.266 118.700 -0.281 0.000 2.664 132 N HA 0.441 5.182 4.740 0.001 0.000 0.268 132 N C -1.938 173.422 175.510 -0.250 0.000 1.222 132 N CA -0.483 52.464 53.050 -0.172 0.000 0.805 132 N CB 0.830 39.281 38.487 -0.061 0.000 1.399 132 N HN 0.691 nan 8.380 nan 0.000 0.547 133 R N 1.097 121.439 120.500 -0.263 0.000 2.795 133 R HA 0.501 4.842 4.340 0.001 0.000 0.275 133 R C -0.732 175.510 176.300 -0.097 0.000 0.981 133 R CA -0.994 54.977 56.100 -0.214 0.000 0.917 133 R CB 2.453 32.552 30.300 -0.334 0.000 1.202 133 R HN 0.320 nan 8.270 nan 0.000 0.469 134 R N 1.982 122.444 120.500 -0.064 0.000 2.229 134 R HA 0.242 4.583 4.340 0.001 0.000 0.332 134 R C -0.682 175.621 176.300 0.005 0.000 0.989 134 R CA -0.470 55.618 56.100 -0.020 0.000 0.842 134 R CB 1.045 31.338 30.300 -0.013 0.000 1.119 134 R HN 0.387 nan 8.270 nan 0.000 0.456 135 V N 4.935 124.875 119.914 0.043 0.000 2.584 135 V HA -0.068 4.053 4.120 0.001 0.000 0.303 135 V C 1.407 177.603 176.094 0.170 0.000 1.035 135 V CA 0.952 63.299 62.300 0.079 0.000 1.172 135 V CB 0.752 32.696 31.823 0.201 0.000 0.896 135 V HN 1.031 nan 8.190 nan 0.000 0.486 136 A N 5.192 128.011 122.820 -0.002 0.000 2.072 136 A HA 0.289 4.609 4.320 0.001 0.000 0.216 136 A C 0.553 178.251 177.584 0.189 0.000 1.156 136 A CA 0.902 53.004 52.037 0.109 0.000 0.701 136 A CB -0.022 19.054 19.000 0.126 0.000 0.816 136 A HN 1.138 nan 8.150 nan 0.000 0.458 137 Y N -6.758 113.444 120.300 -0.164 0.000 2.620 137 Y HA 0.602 5.152 4.550 0.001 0.000 0.331 137 Y C 0.795 176.042 175.900 -1.088 0.000 1.173 137 Y CA -1.047 56.682 58.100 -0.618 0.000 1.076 137 Y CB 0.391 38.683 38.460 -0.280 0.000 1.336 137 Y HN 0.013 nan 8.280 nan 0.000 0.459 138 A N 1.018 122.983 122.820 -1.426 0.000 1.892 138 A HA -0.223 4.097 4.320 0.001 0.000 0.218 138 A C 1.578 178.983 177.584 -0.299 0.000 1.188 138 A CA 2.475 53.970 52.037 -0.903 0.000 0.631 138 A CB -0.782 17.956 19.000 -0.436 0.000 0.822 138 A HN 0.919 nan 8.150 nan 0.000 0.447 139 E N 0.014 120.191 120.200 -0.039 0.000 2.219 139 E HA -0.221 4.129 4.350 0.001 0.000 0.198 139 E C 2.000 178.621 176.600 0.036 0.000 0.998 139 E CA 1.604 58.056 56.400 0.088 0.000 0.818 139 E CB -0.305 29.524 29.700 0.215 0.000 0.741 139 E HN 0.974 nan 8.360 nan 0.000 0.477 140 Q N -0.278 119.396 119.800 -0.210 0.000 2.319 140 Q HA 0.117 4.457 4.340 0.001 0.000 0.202 140 Q C 1.693 177.584 176.000 -0.183 0.000 0.896 140 Q CA -0.057 55.599 55.803 -0.246 0.000 0.942 140 Q CB 0.007 28.406 28.738 -0.565 0.000 1.083 140 Q HN 0.189 nan 8.270 nan 0.000 0.510 141 L N 1.876 123.008 121.223 -0.153 0.000 2.012 141 L HA -0.017 4.324 4.340 0.001 0.000 0.210 141 L C -0.870 175.976 176.870 -0.039 0.000 1.073 141 L CA 1.841 56.645 54.840 -0.059 0.000 0.748 141 L CB -0.981 41.081 42.059 0.004 0.000 0.891 141 L HN 0.086 nan 8.230 nan 0.000 0.431 142 P HA -0.219 nan 4.420 nan 0.000 0.215 142 P C 1.511 178.803 177.300 -0.013 0.000 1.157 142 P CA 1.644 64.728 63.100 -0.027 0.000 0.868 142 P CB -0.128 31.575 31.700 0.004 0.000 0.788 143 K N 0.046 120.433 120.400 -0.021 0.000 2.063 143 K HA -0.134 4.186 4.320 0.001 0.000 0.208 143 K C 1.952 178.523 176.600 -0.049 0.000 1.048 143 K CA 1.321 57.570 56.287 -0.064 0.000 0.928 143 K CB -0.594 31.883 32.500 -0.038 0.000 0.713 143 K HN 0.096 nan 8.250 nan 0.000 0.442 144 L N 0.517 121.727 121.223 -0.022 0.000 2.156 144 L HA -0.118 4.222 4.340 0.001 0.000 0.208 144 L C 2.341 179.210 176.870 -0.001 0.000 1.095 144 L CA 0.477 55.337 54.840 0.032 0.000 0.770 144 L CB -0.237 41.852 42.059 0.049 0.000 0.914 144 L HN 0.026 nan 8.230 nan 0.000 0.439 145 V N 0.142 120.037 119.914 -0.032 0.000 2.379 145 V HA -0.281 3.840 4.120 0.001 0.000 0.245 145 V C 2.170 178.179 176.094 -0.141 0.000 1.044 145 V CA 2.074 64.335 62.300 -0.064 0.000 1.036 145 V CB -0.372 31.427 31.823 -0.041 0.000 0.664 145 V HN 0.474 nan 8.190 nan 0.000 0.453 146 D N 0.203 120.550 120.400 -0.089 0.000 2.097 146 D HA -0.266 4.375 4.640 0.001 0.000 0.195 146 D C 2.162 178.307 176.300 -0.258 0.000 0.989 146 D CA 1.807 55.768 54.000 -0.064 0.000 0.827 146 D CB -0.074 40.756 40.800 0.049 0.000 0.966 146 D HN 0.533 nan 8.370 nan 0.000 0.456 147 E N -0.678 119.379 120.200 -0.238 0.000 2.150 147 E HA -0.137 4.213 4.350 0.001 0.000 0.193 147 E C 1.973 178.178 176.600 -0.658 0.000 0.985 147 E CA 0.904 57.080 56.400 -0.372 0.000 0.814 147 E CB -0.203 29.329 29.700 -0.280 0.000 0.752 147 E HN 0.358 nan 8.360 nan 0.000 0.466 148 A N 1.178 123.660 122.820 -0.564 0.000 1.883 148 A HA -0.160 4.161 4.320 0.001 0.000 0.217 148 A C 2.408 179.679 177.584 -0.522 0.000 1.186 148 A CA 1.929 53.646 52.037 -0.532 0.000 0.624 148 A CB -0.929 17.959 19.000 -0.186 0.000 0.822 148 A HN 0.422 nan 8.150 nan 0.000 0.444 149 A N -0.216 122.226 122.820 -0.629 0.000 1.858 149 A HA -0.169 4.152 4.320 0.001 0.000 0.216 149 A C 2.245 179.219 177.584 -1.016 0.000 1.190 149 A CA 1.928 53.452 52.037 -0.854 0.000 0.617 149 A CB -0.570 17.623 19.000 -1.344 0.000 0.827 149 A HN 0.582 nan 8.150 nan 0.000 0.443 150 R N -1.206 118.568 120.500 -1.210 0.000 2.096 150 R HA -0.163 4.178 4.340 0.001 0.000 0.240 150 R C 2.083 178.137 176.300 -0.409 0.000 1.139 150 R CA 2.129 57.759 56.100 -0.783 0.000 0.952 150 R CB -0.291 29.799 30.300 -0.350 0.000 0.854 150 R HN 0.414 nan 8.270 nan 0.000 0.436 151 M N 0.014 119.351 119.600 -0.437 0.000 2.200 151 M HA -0.019 4.462 4.480 0.001 0.000 0.265 151 M C 2.434 178.599 176.300 -0.225 0.000 1.066 151 M CA 1.553 56.664 55.300 -0.315 0.000 1.127 151 M CB -0.917 31.411 32.600 -0.452 0.000 1.379 151 M HN 0.363 nan 8.290 nan 0.000 0.420 152 A N 0.570 123.232 122.820 -0.262 0.000 1.908 152 A HA -0.145 4.175 4.320 0.001 0.000 0.218 152 A C 2.224 179.729 177.584 -0.131 0.000 1.181 152 A CA 1.452 53.385 52.037 -0.174 0.000 0.627 152 A CB -0.783 18.106 19.000 -0.184 0.000 0.818 152 A HN 0.450 nan 8.150 nan 0.000 0.445 153 I N -0.665 119.812 120.570 -0.154 0.000 2.233 153 I HA -0.195 3.975 4.170 0.001 0.000 0.243 153 I C 2.968 179.065 176.117 -0.034 0.000 1.093 153 I CA 0.979 62.238 61.300 -0.069 0.000 1.380 153 I CB -0.345 37.638 38.000 -0.028 0.000 1.067 153 I HN 0.343 nan 8.210 nan 0.000 0.413 154 A N 0.508 123.298 122.820 -0.049 0.000 1.930 154 A HA -0.139 4.181 4.320 0.001 0.000 0.217 154 A C 2.089 179.668 177.584 -0.010 0.000 1.175 154 A CA 1.388 53.417 52.037 -0.014 0.000 0.627 154 A CB -0.197 18.793 19.000 -0.017 0.000 0.815 154 A HN 0.190 nan 8.150 nan 0.000 0.443 155 K N -0.750 119.629 120.400 -0.034 0.000 2.426 155 K HA 0.120 4.440 4.320 0.001 0.000 0.193 155 K C -0.159 176.426 176.600 -0.027 0.000 1.028 155 K CA 0.084 56.357 56.287 -0.024 0.000 1.047 155 K CB 0.014 32.496 32.500 -0.030 0.000 0.821 155 K HN 0.549 nan 8.250 nan 0.000 0.513 156 R N 0.226 120.708 120.500 -0.031 0.000 3.146 156 R HA -0.183 4.158 4.340 0.001 0.000 0.250 156 R C 0.431 176.704 176.300 -0.045 0.000 0.912 156 R CA 0.489 56.572 56.100 -0.028 0.000 0.633 156 R CB -1.955 28.340 30.300 -0.008 0.000 1.180 156 R HN 0.463 nan 8.270 nan 0.000 0.464 157 G N -1.229 107.533 108.800 -0.063 0.000 2.570 157 G HA2 0.477 4.438 3.960 0.001 0.000 0.310 157 G HA3 0.477 4.438 3.960 0.001 0.000 0.310 157 G C -1.015 173.829 174.900 -0.093 0.000 1.266 157 G CA -0.599 44.453 45.100 -0.081 0.000 0.825 157 G HN 0.088 nan 8.290 nan 0.000 0.483 158 V N 1.191 121.039 119.914 -0.111 0.000 2.432 158 V HA 0.565 4.686 4.120 0.001 0.000 0.271 158 V C 0.662 176.715 176.094 -0.068 0.000 1.046 158 V CA -0.004 62.226 62.300 -0.117 0.000 0.945 158 V CB 0.629 32.346 31.823 -0.177 0.000 0.992 158 V HN 1.133 nan 8.190 nan 0.000 0.471 159 A N 5.726 128.515 122.820 -0.052 0.000 2.258 159 A HA 0.765 5.085 4.320 0.001 0.000 0.316 159 A C -0.572 177.036 177.584 0.040 0.000 1.279 159 A CA -0.451 51.605 52.037 0.032 0.000 0.876 159 A CB 0.925 19.896 19.000 -0.048 0.000 1.170 159 A HN 0.653 nan 8.150 nan 0.000 0.520 160 V N 4.032 123.995 119.914 0.081 0.000 2.459 160 V HA 0.492 4.612 4.120 0.001 0.000 0.295 160 V C -0.265 175.867 176.094 0.064 0.000 1.029 160 V CA -0.343 61.988 62.300 0.052 0.000 0.874 160 V CB 1.298 33.156 31.823 0.058 0.000 0.985 160 V HN 0.770 nan 8.190 nan 0.000 0.438 161 L N 3.861 125.117 121.223 0.055 0.000 2.381 161 L HA 0.581 4.922 4.340 0.001 0.000 0.274 161 L C -0.187 176.699 176.870 0.027 0.000 0.988 161 L CA -0.390 54.475 54.840 0.041 0.000 0.824 161 L CB 2.312 44.406 42.059 0.057 0.000 1.263 161 L HN 0.706 nan 8.230 nan 0.000 0.410 162 E N 3.093 123.299 120.200 0.010 0.000 2.146 162 E HA 0.453 4.803 4.350 0.001 0.000 0.282 162 E C -1.508 175.082 176.600 -0.017 0.000 0.989 162 E CA -0.601 55.797 56.400 -0.004 0.000 0.799 162 E CB 1.577 31.268 29.700 -0.014 0.000 1.088 162 E HN 0.335 nan 8.360 nan 0.000 0.397 163 V N 6.763 126.652 119.914 -0.041 0.000 2.325 163 V HA 0.289 4.410 4.120 0.001 0.000 0.280 163 V C -2.272 173.689 176.094 -0.221 0.000 1.016 163 V CA -2.096 60.160 62.300 -0.074 0.000 0.818 163 V CB 1.043 32.856 31.823 -0.016 0.000 1.019 163 V HN 0.770 nan 8.190 nan 0.000 0.434 164 P HA 0.016 nan 4.420 nan 0.000 0.261 164 P C 1.296 178.286 177.300 -0.517 0.000 1.173 164 P CA 0.585 63.305 63.100 -0.634 0.000 0.760 164 P CB 0.774 31.736 31.700 -1.231 0.000 0.783 165 G N 3.370 112.002 108.800 -0.279 0.000 2.479 165 G HA2 -0.248 3.713 3.960 0.001 0.000 0.220 165 G HA3 -0.248 3.713 3.960 0.001 0.000 0.220 165 G C 0.926 175.759 174.900 -0.110 0.000 1.115 165 G CA 0.617 45.622 45.100 -0.157 0.000 0.757 165 G HN 0.574 nan 8.290 nan 0.000 0.560 166 D N -0.238 120.079 120.400 -0.139 0.000 2.349 166 D HA -0.013 4.628 4.640 0.001 0.000 0.215 166 D C 1.672 178.090 176.300 0.196 0.000 1.016 166 D CA -0.169 53.840 54.000 0.015 0.000 0.870 166 D CB -0.379 40.445 40.800 0.039 0.000 0.917 166 D HN 0.237 nan 8.370 nan 0.000 0.524 167 F N 2.426 122.375 119.950 -0.002 0.000 2.113 167 F HA 0.111 4.639 4.527 0.001 0.000 0.297 167 F C 2.823 178.616 175.800 -0.012 0.000 1.103 167 F CA 0.380 58.380 58.000 -0.001 0.000 1.248 167 F CB -1.306 37.688 39.000 -0.009 0.000 0.999 167 F HN 0.069 nan 8.300 nan 0.000 0.475 168 A N 0.638 123.563 122.820 0.174 0.000 2.131 168 A HA -0.224 4.096 4.320 0.001 0.000 0.220 168 A C 2.187 179.794 177.584 0.040 0.000 1.158 168 A CA 1.763 53.841 52.037 0.068 0.000 0.665 168 A CB -0.909 18.104 19.000 0.022 0.000 0.795 168 A HN 0.563 nan 8.150 nan 0.000 0.460 169 K N -0.858 119.577 120.400 0.057 0.000 2.228 169 K HA 0.155 4.476 4.320 0.001 0.000 0.202 169 K C 0.285 176.907 176.600 0.038 0.000 1.051 169 K CA 0.436 56.745 56.287 0.036 0.000 0.960 169 K CB -0.509 32.014 32.500 0.039 0.000 0.743 169 K HN 0.124 nan 8.250 nan 0.000 0.458 170 V N 2.497 122.445 119.914 0.057 0.000 2.872 170 V HA -0.041 4.080 4.120 0.001 0.000 0.307 170 V C 0.272 176.379 176.094 0.021 0.000 1.072 170 V CA 0.038 62.363 62.300 0.040 0.000 1.148 170 V CB 0.931 32.776 31.823 0.038 0.000 0.954 170 V HN 0.379 nan 8.190 nan 0.000 0.490 171 E N 3.729 123.942 120.200 0.021 0.000 2.202 171 E HA 0.748 5.098 4.350 0.001 0.000 0.272 171 E C -0.847 175.773 176.600 0.034 0.000 0.951 171 E CA -0.714 55.699 56.400 0.022 0.000 0.813 171 E CB 1.734 31.448 29.700 0.023 0.000 1.151 171 E HN 0.652 nan 8.360 nan 0.000 0.398 172 I N -1.029 119.571 120.570 0.050 0.000 3.191 172 I HA 0.523 4.693 4.170 0.001 0.000 0.313 172 I C -1.020 175.164 176.117 0.111 0.000 1.193 172 I CA -1.264 60.084 61.300 0.080 0.000 0.968 172 I CB 1.932 39.995 38.000 0.106 0.000 1.262 172 I HN 0.241 nan 8.210 nan 0.000 0.456 173 D N 2.298 122.770 120.400 0.119 0.000 2.389 173 D HA 0.093 4.734 4.640 0.001 0.000 0.247 173 D C 0.637 177.057 176.300 0.201 0.000 1.128 173 D CA 0.287 54.360 54.000 0.121 0.000 0.884 173 D CB 1.146 41.996 40.800 0.083 0.000 1.194 173 D HN 0.688 nan 8.370 nan 0.000 0.441 174 N N 1.331 120.152 118.700 0.201 0.000 2.348 174 N HA -0.182 4.558 4.740 0.001 0.000 0.185 174 N C 0.822 176.367 175.510 0.058 0.000 1.019 174 N CA 1.052 54.281 53.050 0.298 0.000 0.880 174 N CB 0.170 38.788 38.487 0.219 0.000 0.965 174 N HN 0.425 nan 8.380 nan 0.000 0.437 175 D N -1.320 119.089 120.400 0.016 0.000 2.340 175 D HA -0.060 4.581 4.640 0.001 0.000 0.220 175 D C 0.269 176.556 176.300 -0.022 0.000 1.039 175 D CA 0.295 54.250 54.000 -0.075 0.000 0.866 175 D CB -0.067 40.709 40.800 -0.039 0.000 0.913 175 D HN 0.256 nan 8.370 nan 0.000 0.523 176 Q N 0.620 120.479 119.800 0.097 0.000 2.212 176 Q HA 0.143 4.483 4.340 0.001 0.000 0.213 176 Q C -0.261 175.910 176.000 0.285 0.000 0.874 176 Q CA -0.095 55.808 55.803 0.166 0.000 0.965 176 Q CB 0.311 29.150 28.738 0.168 0.000 1.074 176 Q HN 0.566 nan 8.270 nan 0.000 0.473 177 W N 0.207 121.577 121.300 0.116 0.000 3.146 177 W HA 0.550 5.210 4.660 0.001 0.000 0.319 177 W C -1.921 174.715 176.519 0.194 0.000 1.258 177 W CA -1.296 56.109 57.345 0.100 0.000 1.189 177 W CB 0.442 29.927 29.460 0.042 0.000 1.412 177 W HN 0.002 nan 8.180 nan 0.000 0.567 178 Y N -0.275 120.114 120.300 0.148 0.000 2.641 178 Y HA 0.619 5.170 4.550 0.001 0.000 0.333 178 Y C -1.561 174.471 175.900 0.219 0.000 1.174 178 Y CA -1.141 56.905 58.100 -0.090 0.000 1.057 178 Y CB 1.030 39.396 38.460 -0.156 0.000 1.322 178 Y HN 0.544 nan 8.280 nan 0.000 0.457 179 S N 0.724 116.602 115.700 0.297 0.000 2.509 179 S HA 0.496 4.966 4.470 0.001 0.000 0.297 179 S C 0.285 175.045 174.600 0.267 0.000 1.118 179 S CA -0.057 58.297 58.200 0.256 0.000 1.074 179 S CB 0.967 64.296 63.200 0.215 0.000 1.038 179 S HN 1.209 nan 8.310 nan 0.000 0.498 180 S N 3.345 119.210 115.700 0.274 0.000 2.572 180 S HA 0.303 4.773 4.470 0.001 0.000 0.228 180 S C 1.512 176.049 174.600 -0.106 0.000 0.963 180 S CA 0.101 58.447 58.200 0.244 0.000 0.939 180 S CB 0.065 63.491 63.200 0.376 0.000 0.804 180 S HN 0.857 nan 8.310 nan 0.000 0.480 181 A N 3.945 126.379 122.820 -0.644 0.000 1.972 181 A HA -0.179 4.141 4.320 0.001 0.000 0.219 181 A C 2.216 179.391 177.584 -0.682 0.000 1.169 181 A CA 1.586 52.710 52.037 -1.522 0.000 0.635 181 A CB -0.821 17.184 19.000 -1.659 0.000 0.810 181 A HN 0.797 nan 8.150 nan 0.000 0.446 182 N N -0.138 118.349 118.700 -0.356 0.000 2.453 182 N HA -0.063 4.677 4.740 0.001 0.000 0.183 182 N C 0.986 176.406 175.510 -0.150 0.000 1.041 182 N CA 1.566 54.492 53.050 -0.206 0.000 0.900 182 N CB -0.433 37.978 38.487 -0.128 0.000 0.961 182 N HN 0.286 nan 8.380 nan 0.000 0.443 183 S N 0.340 115.962 115.700 -0.130 0.000 2.556 183 S HA 0.154 4.625 4.470 0.001 0.000 0.216 183 S C 0.476 175.045 174.600 -0.052 0.000 0.970 183 S CA -0.702 57.461 58.200 -0.061 0.000 0.912 183 S CB -0.081 63.120 63.200 0.001 0.000 0.790 183 S HN 0.295 nan 8.310 nan 0.000 0.504 184 L N 3.927 125.085 121.223 -0.108 0.000 2.559 184 L HA 0.143 4.484 4.340 0.001 0.000 0.274 184 L C -0.058 176.788 176.870 -0.039 0.000 1.205 184 L CA 0.896 55.717 54.840 -0.032 0.000 0.907 184 L CB 0.074 42.082 42.059 -0.085 0.000 1.153 184 L HN 0.003 nan 8.230 nan 0.000 0.490 185 R N 4.759 125.239 120.500 -0.034 0.000 2.698 185 R HA 0.566 4.907 4.340 0.001 0.000 0.275 185 R C -1.075 175.149 176.300 -0.126 0.000 1.001 185 R CA -0.918 55.129 56.100 -0.089 0.000 0.896 185 R CB 1.954 32.178 30.300 -0.128 0.000 1.218 185 R HN 0.627 nan 8.270 nan 0.000 0.462 186 K N 1.308 121.627 120.400 -0.135 0.000 2.435 186 K HA 0.430 4.751 4.320 0.001 0.000 0.251 186 K C -1.047 175.462 176.600 -0.151 0.000 0.954 186 K CA -0.828 55.382 56.287 -0.128 0.000 0.820 186 K CB 1.910 34.403 32.500 -0.013 0.000 1.292 186 K HN 0.287 nan 8.250 nan 0.000 0.436 187 Y N 1.063 121.379 120.300 0.027 0.000 2.346 187 Y HA 0.231 4.781 4.550 0.001 0.000 0.330 187 Y C 0.755 176.667 175.900 0.021 0.000 1.178 187 Y CA -0.144 57.968 58.100 0.021 0.000 1.331 187 Y CB 0.826 39.297 38.460 0.018 0.000 1.253 187 Y HN 0.630 nan 8.280 nan 0.000 0.529 188 A N 5.194 128.139 122.820 0.208 0.000 2.332 188 A HA 0.481 4.802 4.320 0.001 0.000 0.258 188 A C -2.352 175.294 177.584 0.103 0.000 1.087 188 A CA -1.633 50.476 52.037 0.119 0.000 0.802 188 A CB -0.473 18.580 19.000 0.089 0.000 1.042 188 A HN 0.582 nan 8.150 nan 0.000 0.489 189 P HA 0.065 nan 4.420 nan 0.000 0.261 189 P C -0.679 176.633 177.300 0.021 0.000 1.173 189 P CA 0.380 63.505 63.100 0.042 0.000 0.760 189 P CB 0.125 31.844 31.700 0.030 0.000 0.783 190 I N 2.247 122.817 120.570 0.000 0.000 2.353 190 I HA 0.339 4.510 4.170 0.001 0.000 0.293 190 I C 0.855 176.955 176.117 -0.028 0.000 0.992 190 I CA -1.232 60.055 61.300 -0.021 0.000 1.268 190 I CB 0.631 38.601 38.000 -0.049 0.000 1.387 190 I HN 0.327 nan 8.210 nan 0.000 0.478 191 A N 9.358 132.162 122.820 -0.027 0.000 2.407 191 A HA 0.558 4.878 4.320 0.001 0.000 0.248 191 A C -2.045 175.519 177.584 -0.033 0.000 1.082 191 A CA -0.790 51.229 52.037 -0.031 0.000 0.785 191 A CB -0.437 18.548 19.000 -0.024 0.000 1.020 191 A HN 0.593 nan 8.150 nan 0.000 0.489 192 P HA 0.410 nan 4.420 nan 0.000 0.278 192 P C -0.437 176.846 177.300 -0.028 0.000 1.258 192 P CA -0.254 62.827 63.100 -0.033 0.000 0.811 192 P CB 1.063 32.741 31.700 -0.036 0.000 1.063 193 A N 1.468 124.274 122.820 -0.025 0.000 2.492 193 A HA 0.385 4.705 4.320 0.001 0.000 0.254 193 A C 1.662 179.234 177.584 -0.019 0.000 1.091 193 A CA 0.242 52.267 52.037 -0.021 0.000 0.768 193 A CB -0.404 18.585 19.000 -0.019 0.000 1.028 193 A HN 0.610 nan 8.150 nan 0.000 0.498 194 A N 1.751 124.560 122.820 -0.018 0.000 1.948 194 A HA -0.243 4.078 4.320 0.001 0.000 0.220 194 A C 2.031 179.607 177.584 -0.015 0.000 1.177 194 A CA 1.990 54.017 52.037 -0.017 0.000 0.636 194 A CB -0.585 18.407 19.000 -0.014 0.000 0.815 194 A HN 0.970 nan 8.150 nan 0.000 0.449 195 Q N -0.637 119.155 119.800 -0.013 0.000 2.135 195 Q HA -0.239 4.101 4.340 0.001 0.000 0.204 195 Q C 1.132 177.125 176.000 -0.012 0.000 0.981 195 Q CA 1.887 57.683 55.803 -0.011 0.000 0.856 195 Q CB -0.158 28.575 28.738 -0.009 0.000 0.902 195 Q HN 0.649 nan 8.270 nan 0.000 0.425 196 D N 0.160 120.551 120.400 -0.014 0.000 2.162 196 D HA -0.093 4.548 4.640 0.001 0.000 0.203 196 D C 1.926 178.215 176.300 -0.019 0.000 0.967 196 D CA 0.560 54.550 54.000 -0.015 0.000 0.840 196 D CB 0.046 40.836 40.800 -0.017 0.000 0.972 196 D HN 0.286 nan 8.370 nan 0.000 0.482 197 I N 1.693 122.251 120.570 -0.021 0.000 2.226 197 I HA -0.198 3.972 4.170 0.001 0.000 0.245 197 I C 1.673 177.778 176.117 -0.020 0.000 1.100 197 I CA 1.228 62.514 61.300 -0.023 0.000 1.374 197 I CB -0.791 37.195 38.000 -0.025 0.000 1.057 197 I HN -0.082 nan 8.210 nan 0.000 0.413 198 D N 1.161 121.551 120.400 -0.017 0.000 2.144 198 D HA -0.108 4.533 4.640 0.001 0.000 0.199 198 D C 2.265 178.557 176.300 -0.013 0.000 0.984 198 D CA 1.485 55.477 54.000 -0.014 0.000 0.834 198 D CB -0.069 40.724 40.800 -0.012 0.000 0.955 198 D HN 0.296 nan 8.370 nan 0.000 0.465 199 A N 0.828 123.641 122.820 -0.012 0.000 1.969 199 A HA 0.011 4.332 4.320 0.001 0.000 0.218 199 A C 2.275 179.851 177.584 -0.013 0.000 1.169 199 A CA 1.954 53.985 52.037 -0.009 0.000 0.635 199 A CB -0.559 18.437 19.000 -0.007 0.000 0.810 199 A HN 0.231 nan 8.150 nan 0.000 0.445 200 A N -0.482 122.326 122.820 -0.018 0.000 1.873 200 A HA 0.026 4.346 4.320 0.001 0.000 0.215 200 A C 2.211 179.782 177.584 -0.022 0.000 1.186 200 A CA 1.667 53.689 52.037 -0.025 0.000 0.616 200 A CB -1.000 17.982 19.000 -0.031 0.000 0.823 200 A HN 0.366 nan 8.150 nan 0.000 0.442 201 V N 0.286 120.188 119.914 -0.019 0.000 2.287 201 V HA -0.288 3.832 4.120 0.001 0.000 0.248 201 V C 2.649 178.734 176.094 -0.015 0.000 1.053 201 V CA 2.578 64.867 62.300 -0.018 0.000 1.027 201 V CB -0.789 31.023 31.823 -0.017 0.000 0.646 201 V HN 0.729 nan 8.190 nan 0.000 0.447 202 E N 0.366 120.558 120.200 -0.013 0.000 2.058 202 E HA -0.211 4.139 4.350 0.001 0.000 0.194 202 E C 2.039 178.632 176.600 -0.011 0.000 0.997 202 E CA 1.641 58.035 56.400 -0.011 0.000 0.801 202 E CB -0.441 29.254 29.700 -0.008 0.000 0.746 202 E HN 0.556 nan 8.360 nan 0.000 0.450 203 L N -0.227 120.989 121.223 -0.012 0.000 2.046 203 L HA -0.157 4.184 4.340 0.001 0.000 0.208 203 L C 2.539 179.399 176.870 -0.017 0.000 1.077 203 L CA 0.943 55.775 54.840 -0.012 0.000 0.747 203 L CB -0.380 41.672 42.059 -0.012 0.000 0.896 203 L HN 0.225 nan 8.230 nan 0.000 0.432 204 L N -0.606 120.607 121.223 -0.017 0.000 2.056 204 L HA -0.211 4.129 4.340 0.001 0.000 0.207 204 L C 2.145 179.008 176.870 -0.012 0.000 1.078 204 L CA 1.513 56.344 54.840 -0.014 0.000 0.749 204 L CB -0.650 41.402 42.059 -0.011 0.000 0.901 204 L HN 0.349 nan 8.230 nan 0.000 0.433 205 N N 0.191 118.883 118.700 -0.014 0.000 2.104 205 N HA -0.195 4.546 4.740 0.001 0.000 0.190 205 N C 1.279 176.781 175.510 -0.015 0.000 1.024 205 N CA 1.520 54.561 53.050 -0.014 0.000 0.853 205 N CB -0.156 38.323 38.487 -0.014 0.000 1.008 205 N HN 0.442 nan 8.380 nan 0.000 0.424 206 N N -0.140 118.550 118.700 -0.016 0.000 2.467 206 N HA -0.004 4.737 4.740 0.001 0.000 0.184 206 N C -0.061 175.433 175.510 -0.027 0.000 1.106 206 N CA -0.237 52.802 53.050 -0.018 0.000 0.892 206 N CB 0.330 38.809 38.487 -0.014 0.000 0.969 206 N HN -0.009 nan 8.380 nan 0.000 0.454 207 S N 0.620 116.301 115.700 -0.032 0.000 2.548 207 S HA 0.135 4.605 4.470 0.001 0.000 0.277 207 S C 0.982 175.537 174.600 -0.075 0.000 1.315 207 S CA -0.319 57.848 58.200 -0.056 0.000 1.050 207 S CB 0.949 64.117 63.200 -0.054 0.000 0.918 207 S HN 0.119 nan 8.310 nan 0.000 0.497 208 K N 2.881 123.207 120.400 -0.123 0.000 2.323 208 K HA 0.186 4.506 4.320 0.001 0.000 0.197 208 K C 0.275 176.682 176.600 -0.323 0.000 1.043 208 K CA 0.457 56.659 56.287 -0.143 0.000 0.997 208 K CB 0.257 32.684 32.500 -0.121 0.000 0.807 208 K HN 0.486 nan 8.250 nan 0.000 0.497 209 R N 1.491 121.681 120.500 -0.518 0.000 2.653 209 R HA 0.198 4.538 4.340 0.001 0.000 0.269 209 R C -2.783 173.180 176.300 -0.562 0.000 1.603 209 R CA -1.351 54.004 56.100 -1.241 0.000 1.671 209 R CB 1.236 30.537 30.300 -1.665 0.000 1.300 209 R HN 0.035 nan 8.270 nan 0.000 0.668 210 P HA 0.183 nan 4.420 nan 0.000 0.277 210 P C -0.584 176.929 177.300 0.356 0.000 1.240 210 P CA -0.295 62.873 63.100 0.114 0.000 0.798 210 P CB 2.009 33.774 31.700 0.109 0.000 0.979 211 V N 3.413 123.468 119.914 0.235 0.000 2.851 211 V HA 0.422 4.543 4.120 0.001 0.000 0.307 211 V C -0.948 175.223 176.094 0.127 0.000 1.129 211 V CA -0.947 61.492 62.300 0.232 0.000 0.932 211 V CB 1.911 33.891 31.823 0.262 0.000 1.024 211 V HN 0.321 nan 8.190 nan 0.000 0.426 212 I N 6.655 127.274 120.570 0.081 0.000 2.321 212 I HA 0.362 4.533 4.170 0.001 0.000 0.291 212 I C -1.321 174.814 176.117 0.030 0.000 0.998 212 I CA -0.589 60.745 61.300 0.056 0.000 1.227 212 I CB 1.371 39.398 38.000 0.046 0.000 1.368 212 I HN 0.635 nan 8.210 nan 0.000 0.466 213 Y N 6.518 126.806 120.300 -0.020 0.000 2.491 213 Y HA 0.619 5.169 4.550 0.001 0.000 0.334 213 Y C 0.058 175.900 175.900 -0.096 0.000 0.969 213 Y CA -1.092 56.996 58.100 -0.021 0.000 1.241 213 Y CB 1.108 39.678 38.460 0.184 0.000 1.105 213 Y HN 0.581 nan 8.280 nan 0.000 0.503 214 A N 4.121 127.003 122.820 0.103 0.000 2.260 214 A HA 0.743 5.064 4.320 0.001 0.000 0.314 214 A C 0.401 178.015 177.584 0.050 0.000 1.257 214 A CA 0.073 52.156 52.037 0.076 0.000 0.871 214 A CB 0.187 19.311 19.000 0.206 0.000 1.166 214 A HN 0.870 nan 8.150 nan 0.000 0.522 215 G N 0.587 109.361 108.800 -0.042 0.000 2.613 215 G HA2 0.460 4.420 3.960 0.001 0.000 0.303 215 G HA3 0.460 4.420 3.960 0.001 0.000 0.303 215 G C 0.900 175.789 174.900 -0.018 0.000 1.312 215 G CA -0.225 44.857 45.100 -0.031 0.000 1.036 215 G HN 1.188 nan 8.290 nan 0.000 0.513 216 I N -1.891 118.684 120.570 0.009 0.000 3.010 216 I HA 0.060 4.230 4.170 0.001 0.000 0.271 216 I C 1.943 178.062 176.117 0.004 0.000 1.293 216 I CA 1.034 62.340 61.300 0.011 0.000 1.452 216 I CB -0.228 37.800 38.000 0.047 0.000 1.082 216 I HN 0.390 nan 8.210 nan 0.000 0.484 217 G N 1.568 110.364 108.800 -0.007 0.000 2.509 217 G HA2 -0.199 3.761 3.960 0.001 0.000 0.218 217 G HA3 -0.199 3.761 3.960 0.001 0.000 0.218 217 G C 1.554 176.478 174.900 0.040 0.000 1.124 217 G CA 1.097 46.201 45.100 0.007 0.000 0.776 217 G HN 0.587 nan 8.290 nan 0.000 0.547 218 T N -1.632 112.933 114.554 0.018 0.000 3.107 218 T HA 0.340 4.691 4.350 0.001 0.000 0.249 218 T C 1.209 175.908 174.700 -0.003 0.000 1.096 218 T CA -0.327 61.806 62.100 0.055 0.000 1.012 218 T CB -0.097 68.764 68.868 -0.012 0.000 0.977 218 T HN -0.003 nan 8.240 nan 0.000 0.527 219 M N 2.057 121.624 119.600 -0.054 0.000 2.261 219 M HA 0.209 4.690 4.480 0.001 0.000 0.350 219 M C 1.721 177.839 176.300 -0.303 0.000 1.343 219 M CA 1.762 56.977 55.300 -0.141 0.000 1.003 219 M CB -0.313 32.247 32.600 -0.066 0.000 1.848 219 M HN 0.712 nan 8.290 nan 0.000 0.456 220 G N 3.343 111.916 108.800 -0.377 0.000 2.175 220 G HA2 -0.264 3.697 3.960 0.001 0.000 0.244 220 G HA3 -0.264 3.697 3.960 0.001 0.000 0.244 220 G C 0.193 174.633 174.900 -0.767 0.000 0.982 220 G CA 0.346 45.115 45.100 -0.552 0.000 0.641 220 G HN 0.871 nan 8.290 nan 0.000 0.527 221 H N -0.735 118.256 119.070 -0.132 0.000 2.575 221 H HA 0.438 4.995 4.556 0.001 0.000 0.256 221 H C 2.063 177.280 175.328 -0.186 0.000 1.162 221 H CA 0.321 56.294 56.048 -0.126 0.000 0.969 221 H CB 0.490 30.197 29.762 -0.091 0.000 1.796 221 H HN 0.305 nan 8.280 nan 0.000 0.607 222 G N 2.103 110.751 108.800 -0.254 0.000 2.446 222 G HA2 -0.197 3.763 3.960 0.001 0.000 0.217 222 G HA3 -0.197 3.763 3.960 0.001 0.000 0.217 222 G C -0.725 174.048 174.900 -0.211 0.000 1.168 222 G CA 0.562 45.416 45.100 -0.409 0.000 0.771 222 G HN 0.289 nan 8.290 nan 0.000 0.551 223 P HA -0.061 nan 4.420 nan 0.000 0.215 223 P C 2.211 179.474 177.300 -0.063 0.000 1.153 223 P CA 2.001 65.041 63.100 -0.100 0.000 0.853 223 P CB -0.133 31.530 31.700 -0.063 0.000 0.788 224 A N -0.758 122.046 122.820 -0.027 0.000 1.933 224 A HA -0.147 4.174 4.320 0.001 0.000 0.218 224 A C 2.296 179.880 177.584 -0.001 0.000 1.175 224 A CA 1.732 53.767 52.037 -0.004 0.000 0.628 224 A CB -1.674 17.337 19.000 0.020 0.000 0.814 224 A HN 0.034 nan 8.150 nan 0.000 0.444 225 V N 0.015 119.933 119.914 0.007 0.000 2.358 225 V HA -0.289 3.832 4.120 0.001 0.000 0.246 225 V C 2.579 178.699 176.094 0.043 0.000 1.047 225 V CA 2.127 64.465 62.300 0.062 0.000 1.035 225 V CB -0.905 31.017 31.823 0.166 0.000 0.658 225 V HN 0.634 nan 8.190 nan 0.000 0.452 226 Q N -0.288 119.466 119.800 -0.076 0.000 2.167 226 Q HA -0.238 4.103 4.340 0.001 0.000 0.202 226 Q C 2.302 178.301 176.000 -0.003 0.000 0.970 226 Q CA 1.646 57.279 55.803 -0.285 0.000 0.855 226 Q CB -0.116 28.204 28.738 -0.697 0.000 0.911 226 Q HN 0.747 nan 8.270 nan 0.000 0.438 227 E N 0.771 120.968 120.200 -0.005 0.000 2.072 227 E HA -0.203 4.147 4.350 0.001 0.000 0.191 227 E C 1.968 178.588 176.600 0.034 0.000 0.985 227 E CA 0.614 57.030 56.400 0.027 0.000 0.801 227 E CB 0.040 29.742 29.700 0.004 0.000 0.750 227 E HN 0.200 nan 8.360 nan 0.000 0.452 228 L N 0.928 122.169 121.223 0.031 0.000 2.046 228 L HA -0.072 4.269 4.340 0.001 0.000 0.208 228 L C 2.279 179.177 176.870 0.047 0.000 1.077 228 L CA 2.190 57.046 54.840 0.026 0.000 0.747 228 L CB -0.780 41.294 42.059 0.025 0.000 0.896 228 L HN 0.178 nan 8.230 nan 0.000 0.432 229 A N -0.229 122.664 122.820 0.123 0.000 1.908 229 A HA -0.242 4.079 4.320 0.001 0.000 0.218 229 A C 2.425 180.068 177.584 0.099 0.000 1.181 229 A CA 2.043 54.216 52.037 0.226 0.000 0.627 229 A CB -0.564 18.697 19.000 0.434 0.000 0.818 229 A HN 0.551 nan 8.150 nan 0.000 0.445 230 R N -0.819 119.734 120.500 0.089 0.000 2.093 230 R HA -0.046 4.295 4.340 0.001 0.000 0.224 230 R C 2.343 178.473 176.300 -0.282 0.000 1.101 230 R CA 1.295 57.296 56.100 -0.166 0.000 0.979 230 R CB -0.276 30.065 30.300 0.068 0.000 0.877 230 R HN 0.611 nan 8.270 nan 0.000 0.441 231 K N 1.698 122.019 120.400 -0.132 0.000 2.026 231 K HA -0.120 4.200 4.320 0.001 0.000 0.208 231 K C 1.878 178.384 176.600 -0.157 0.000 1.048 231 K CA 1.568 57.781 56.287 -0.123 0.000 0.929 231 K CB -0.016 32.447 32.500 -0.061 0.000 0.713 231 K HN 0.280 nan 8.250 nan 0.000 0.439 232 I N -2.717 117.773 120.570 -0.134 0.000 3.928 232 I HA 0.161 4.331 4.170 0.001 0.000 0.335 232 I C -0.743 175.288 176.117 -0.143 0.000 1.325 232 I CA -0.409 60.829 61.300 -0.104 0.000 1.107 232 I CB 0.461 38.444 38.000 -0.028 0.000 1.014 232 I HN -0.038 nan 8.210 nan 0.000 0.400 233 K N 1.522 121.689 120.400 -0.388 0.000 3.257 233 K HA -0.158 4.162 4.320 0.001 0.000 0.270 233 K C -0.081 176.619 176.600 0.166 0.000 0.984 233 K CA 0.982 56.881 56.287 -0.647 0.000 0.739 233 K CB -2.057 30.112 32.500 -0.553 0.000 1.351 233 K HN 0.681 nan 8.250 nan 0.000 0.463 234 A N 0.666 123.648 122.820 0.269 0.000 2.287 234 A HA 0.624 4.945 4.320 0.001 0.000 0.317 234 A C -2.257 175.587 177.584 0.433 0.000 1.220 234 A CA -1.600 50.678 52.037 0.401 0.000 0.835 234 A CB 1.090 20.235 19.000 0.242 0.000 1.180 234 A HN -0.061 nan 8.150 nan 0.000 0.500 235 P HA 0.250 nan 4.420 nan 0.000 0.271 235 P C -0.613 176.658 177.300 -0.049 0.000 1.233 235 P CA -0.108 62.958 63.100 -0.057 0.000 0.789 235 P CB 0.653 32.159 31.700 -0.322 0.000 0.951 236 V N 2.705 122.504 119.914 -0.192 0.000 2.448 236 V HA 0.400 4.520 4.120 0.001 0.000 0.295 236 V C 0.217 176.007 176.094 -0.505 0.000 1.025 236 V CA -0.369 61.754 62.300 -0.296 0.000 0.859 236 V CB 1.265 32.867 31.823 -0.368 0.000 0.988 236 V HN 0.362 nan 8.190 nan 0.000 0.431 237 I N 3.385 123.634 120.570 -0.535 0.000 2.441 237 I HA 0.544 4.714 4.170 0.001 0.000 0.295 237 I C 0.172 175.829 176.117 -0.766 0.000 0.994 237 I CA -0.137 60.711 61.300 -0.753 0.000 1.144 237 I CB 2.319 39.740 38.000 -0.964 0.000 1.314 237 I HN 0.636 nan 8.210 nan 0.000 0.445 238 T N 2.906 116.968 114.554 -0.820 0.000 2.926 238 T HA 0.556 4.907 4.350 0.001 0.000 0.289 238 T C -0.221 174.195 174.700 -0.474 0.000 1.054 238 T CA -0.413 61.326 62.100 -0.602 0.000 1.015 238 T CB 1.527 69.930 68.868 -0.774 0.000 1.167 238 T HN 0.741 nan 8.240 nan 0.000 0.526 239 T N -0.501 113.941 114.554 -0.186 0.000 2.927 239 T HA 0.493 4.844 4.350 0.001 0.000 0.281 239 T C 1.658 176.389 174.700 0.052 0.000 0.998 239 T CA -0.091 62.043 62.100 0.057 0.000 1.019 239 T CB 0.866 69.865 68.868 0.217 0.000 1.061 239 T HN 0.698 nan 8.240 nan 0.000 0.518 240 G N 0.108 109.071 108.800 0.272 0.000 2.501 240 G HA2 -0.140 3.821 3.960 0.001 0.000 0.220 240 G HA3 -0.140 3.821 3.960 0.001 0.000 0.220 240 G C 1.268 176.260 174.900 0.154 0.000 1.114 240 G CA 0.311 45.602 45.100 0.318 0.000 0.757 240 G HN 0.773 nan 8.290 nan 0.000 0.559 241 K N -0.620 119.902 120.400 0.202 0.000 2.379 241 K HA 0.092 4.413 4.320 0.001 0.000 0.194 241 K C 1.212 177.887 176.600 0.126 0.000 1.031 241 K CA 0.049 56.479 56.287 0.238 0.000 1.037 241 K CB 0.276 32.944 32.500 0.280 0.000 0.824 241 K HN 0.134 nan 8.250 nan 0.000 0.516 242 N N -0.050 118.668 118.700 0.030 0.000 2.273 242 N HA 0.139 4.880 4.740 0.001 0.000 0.231 242 N C 0.306 175.772 175.510 -0.075 0.000 1.134 242 N CA -0.097 52.939 53.050 -0.023 0.000 0.856 242 N CB 0.090 38.560 38.487 -0.029 0.000 1.068 242 N HN -0.050 nan 8.380 nan 0.000 0.510 243 F N 1.186 121.046 119.950 -0.150 0.000 2.171 243 F HA -0.115 4.412 4.527 0.000 0.000 0.300 243 F C 2.297 178.101 175.800 0.006 0.000 1.090 243 F CA 1.226 59.174 58.000 -0.086 0.000 1.293 243 F CB -0.011 38.832 39.000 -0.262 0.000 1.013 243 F HN 0.348 nan 8.300 nan 0.000 0.486 244 E N -0.750 119.539 120.200 0.150 0.000 2.267 244 E HA -0.192 4.159 4.350 0.001 0.000 0.197 244 E C 1.585 178.187 176.600 0.004 0.000 0.998 244 E CA 1.659 58.141 56.400 0.136 0.000 0.830 244 E CB -0.859 28.951 29.700 0.183 0.000 0.751 244 E HN 0.264 nan 8.360 nan 0.000 0.491 245 T N 0.142 114.598 114.554 -0.162 0.000 3.007 245 T HA 0.005 4.355 4.350 0.001 0.000 0.270 245 T C -0.188 174.076 174.700 -0.727 0.000 1.107 245 T CA 0.736 62.546 62.100 -0.483 0.000 1.118 245 T CB -0.179 68.266 68.868 -0.704 0.000 0.889 245 T HN 0.088 nan 8.240 nan 0.000 0.506 246 F N 0.835 120.749 119.950 -0.061 0.000 2.556 246 F HA 0.438 4.965 4.527 0.001 0.000 0.327 246 F C 0.274 176.084 175.800 0.016 0.000 1.059 246 F CA -1.679 56.267 58.000 -0.090 0.000 0.953 246 F CB 0.960 39.880 39.000 -0.135 0.000 1.227 246 F HN -0.285 nan 8.300 nan 0.000 0.478 247 E N 2.823 123.129 120.200 0.176 0.000 2.324 247 E HA -0.071 4.279 4.350 0.001 0.000 0.271 247 E C 1.006 177.705 176.600 0.165 0.000 1.028 247 E CA -0.118 56.362 56.400 0.133 0.000 0.890 247 E CB 0.446 30.159 29.700 0.023 0.000 1.004 247 E HN 0.825 nan 8.360 nan 0.000 0.431 248 W N 5.034 126.446 121.300 0.187 0.000 2.313 248 W HA -0.203 4.457 4.660 0.000 0.000 0.293 248 W C 0.258 176.883 176.519 0.177 0.000 1.216 248 W CA 1.410 58.880 57.345 0.208 0.000 1.223 248 W CB -0.413 29.128 29.460 0.136 0.000 1.138 248 W HN 0.357 nan 8.180 nan 0.000 0.535 249 D N -0.476 119.318 120.400 -1.009 0.000 2.388 249 D HA 0.001 4.641 4.640 0.001 0.000 0.221 249 D C 0.201 176.282 176.300 -0.365 0.000 1.133 249 D CA -0.814 52.597 54.000 -0.982 0.000 0.831 249 D CB -1.425 38.324 40.800 -1.753 0.000 0.962 249 D HN -0.053 nan 8.370 nan 0.000 0.502 250 F N 3.217 122.999 119.950 -0.280 0.000 2.612 250 F HA 0.005 4.532 4.527 0.000 0.000 0.389 250 F C 1.694 177.381 175.800 -0.188 0.000 1.055 250 F CA -0.842 57.052 58.000 -0.177 0.000 1.232 250 F CB 0.777 39.717 39.000 -0.100 0.000 1.044 250 F HN 0.059 nan 8.300 nan 0.000 0.560 251 E N 4.081 123.894 120.200 -0.645 0.000 2.171 251 E HA -0.208 4.142 4.350 0.001 0.000 0.197 251 E C 1.190 177.239 176.600 -0.918 0.000 0.997 251 E CA 1.425 57.426 56.400 -0.665 0.000 0.810 251 E CB -0.337 29.066 29.700 -0.495 0.000 0.738 251 E HN 0.593 nan 8.360 nan 0.000 0.467 252 A N 0.897 122.801 122.820 -1.526 0.000 2.500 252 A HA 0.270 4.590 4.320 0.001 0.000 0.267 252 A C 0.418 177.590 177.584 -0.687 0.000 1.290 252 A CA -0.530 50.805 52.037 -1.169 0.000 0.928 252 A CB 0.133 18.466 19.000 -1.113 0.000 1.066 252 A HN 0.236 nan 8.150 nan 0.000 0.516 253 L N 1.506 122.433 121.223 -0.493 0.000 2.278 253 L HA 0.353 4.693 4.340 0.001 0.000 0.287 253 L C 1.350 177.979 176.870 -0.403 0.000 1.072 253 L CA 0.991 55.619 54.840 -0.353 0.000 0.819 253 L CB 0.823 42.768 42.059 -0.190 0.000 1.176 253 L HN 0.280 nan 8.230 nan 0.000 0.435 254 T N 1.243 115.474 114.554 -0.538 0.000 3.081 254 T HA 0.549 4.899 4.350 0.001 0.000 0.250 254 T C 0.944 175.221 174.700 -0.705 0.000 1.100 254 T CA 0.196 62.002 62.100 -0.489 0.000 1.038 254 T CB -0.368 68.199 68.868 -0.502 0.000 0.962 254 T HN 1.227 nan 8.240 nan 0.000 0.516 255 G N 1.661 109.726 108.800 -1.225 0.000 2.508 255 G HA2 -0.000 3.960 3.960 0.001 0.000 0.220 255 G HA3 -0.000 3.960 3.960 0.001 0.000 0.220 255 G C -0.273 174.013 174.900 -1.023 0.000 1.287 255 G CA -0.331 43.706 45.100 -1.771 0.000 0.916 255 G HN 1.377 nan 8.290 nan 0.000 0.574 256 S N -0.983 114.334 115.700 -0.637 0.000 2.607 256 S HA 0.841 5.311 4.470 0.001 0.000 0.303 256 S C 0.316 174.781 174.600 -0.226 0.000 1.086 256 S CA 0.626 58.600 58.200 -0.377 0.000 0.995 256 S CB 1.758 64.927 63.200 -0.052 0.000 1.084 256 S HN 2.185 nan 8.310 nan 0.000 0.507 257 T N -0.796 113.642 114.554 -0.193 0.000 2.824 257 T HA 0.534 4.885 4.350 0.001 0.000 0.277 257 T C -0.004 174.798 174.700 0.170 0.000 0.975 257 T CA -0.045 62.024 62.100 -0.052 0.000 0.966 257 T CB -0.070 68.761 68.868 -0.060 0.000 1.054 257 T HN 1.259 nan 8.240 nan 0.000 0.533 258 Y N 0.052 120.343 120.300 -0.015 0.000 2.928 258 Y HA -0.328 4.222 4.550 0.000 0.000 0.464 258 Y C 1.779 177.634 175.900 -0.074 0.000 1.218 258 Y CA 0.751 58.803 58.100 -0.080 0.000 2.424 258 Y CB -0.951 37.366 38.460 -0.239 0.000 1.255 258 Y HN 0.924 nan 8.280 nan 0.000 0.636 259 R N 0.254 120.181 120.500 -0.955 0.000 2.080 259 R HA -0.010 4.330 4.340 0.001 0.000 0.236 259 R C 0.434 176.674 176.300 -0.100 0.000 1.137 259 R CA 1.867 57.627 56.100 -0.566 0.000 0.943 259 R CB -0.541 29.362 30.300 -0.661 0.000 0.846 259 R HN 0.311 nan 8.270 nan 0.000 0.431 260 V N 1.656 121.607 119.914 0.062 0.000 2.071 260 V HA 0.336 4.456 4.120 0.001 0.000 0.254 260 V C 0.335 176.536 176.094 0.179 0.000 1.456 260 V CA 0.402 62.801 62.300 0.165 0.000 1.383 260 V CB 0.216 32.185 31.823 0.243 0.000 1.433 260 V HN 0.569 nan 8.190 nan 0.000 0.499 261 G N 1.511 110.401 108.800 0.149 0.000 2.706 261 G HA2 0.580 4.540 3.960 0.001 0.000 0.307 261 G HA3 0.580 4.540 3.960 0.001 0.000 0.307 261 G C -2.046 173.034 174.900 0.299 0.000 1.307 261 G CA -0.624 44.589 45.100 0.190 0.000 0.790 261 G HN 0.223 nan 8.290 nan 0.000 0.503 262 W N -0.167 120.967 121.300 -0.276 0.000 2.671 262 W HA 0.637 5.297 4.660 0.000 0.000 0.360 262 W C 1.346 177.332 176.519 -0.888 0.000 1.128 262 W CA -1.273 55.634 57.345 -0.729 0.000 1.184 262 W CB 1.864 30.840 29.460 -0.806 0.000 1.415 262 W HN 0.707 nan 8.180 nan 0.000 0.604 263 K N 0.720 120.391 120.400 -1.215 0.000 2.002 263 K HA -0.119 4.202 4.320 0.001 0.000 0.209 263 K C -0.919 175.396 176.600 -0.475 0.000 1.048 263 K CA 1.897 57.783 56.287 -0.670 0.000 0.930 263 K CB -1.183 31.003 32.500 -0.523 0.000 0.714 263 K HN 0.055 nan 8.250 nan 0.000 0.438 264 P HA -0.214 nan 4.420 nan 0.000 0.214 264 P C 1.101 178.128 177.300 -0.454 0.000 1.169 264 P CA 2.327 65.156 63.100 -0.452 0.000 0.908 264 P CB -0.148 31.325 31.700 -0.378 0.000 0.791 265 A N -0.631 121.936 122.820 -0.423 0.000 1.892 265 A HA -0.299 4.021 4.320 0.001 0.000 0.218 265 A C 2.091 179.499 177.584 -0.294 0.000 1.188 265 A CA 2.560 54.353 52.037 -0.406 0.000 0.631 265 A CB -1.966 16.757 19.000 -0.460 0.000 0.822 265 A HN 0.202 nan 8.150 nan 0.000 0.447 266 N N -0.531 118.028 118.700 -0.236 0.000 2.272 266 N HA -0.137 4.604 4.740 0.001 0.000 0.185 266 N C 1.699 177.156 175.510 -0.088 0.000 1.014 266 N CA 1.590 54.561 53.050 -0.131 0.000 0.870 266 N CB -0.119 38.309 38.487 -0.099 0.000 0.975 266 N HN 0.699 nan 8.380 nan 0.000 0.433 267 E N -0.743 119.372 120.200 -0.140 0.000 2.102 267 E HA -0.011 4.339 4.350 0.001 0.000 0.190 267 E C 1.681 178.257 176.600 -0.041 0.000 0.971 267 E CA 0.914 57.292 56.400 -0.037 0.000 0.821 267 E CB 0.061 29.718 29.700 -0.072 0.000 0.777 267 E HN 0.249 nan 8.360 nan 0.000 0.460 268 T N 1.887 116.269 114.554 -0.288 0.000 2.652 268 T HA -0.192 4.158 4.350 0.001 0.000 0.267 268 T C 1.925 176.712 174.700 0.145 0.000 1.039 268 T CA 1.095 63.105 62.100 -0.150 0.000 1.153 268 T CB -0.267 68.414 68.868 -0.312 0.000 0.863 268 T HN 0.042 nan 8.240 nan 0.000 0.428 269 I N 0.935 121.529 120.570 0.039 0.000 2.335 269 I HA -0.066 4.104 4.170 0.001 0.000 0.251 269 I C 1.773 177.957 176.117 0.111 0.000 1.129 269 I CA 1.233 62.596 61.300 0.105 0.000 1.402 269 I CB -0.329 37.699 38.000 0.046 0.000 1.069 269 I HN 0.243 nan 8.210 nan 0.000 0.424 270 L N -0.317 120.946 121.223 0.066 0.000 2.554 270 L HA 0.041 4.381 4.340 0.001 0.000 0.226 270 L C 1.624 178.559 176.870 0.109 0.000 1.137 270 L CA 0.389 55.196 54.840 -0.054 0.000 0.863 270 L CB -0.386 41.490 42.059 -0.305 0.000 0.985 270 L HN 0.194 nan 8.230 nan 0.000 0.451 271 E N 0.112 120.501 120.200 0.314 0.000 2.511 271 E HA 0.243 4.593 4.350 0.001 0.000 0.209 271 E C 0.668 177.395 176.600 0.212 0.000 0.986 271 E CA 0.014 56.657 56.400 0.405 0.000 0.974 271 E CB 0.771 30.903 29.700 0.721 0.000 1.030 271 E HN 0.258 nan 8.360 nan 0.000 0.490 272 A N 1.295 124.239 122.820 0.207 0.000 2.351 272 A HA 0.185 4.505 4.320 0.001 0.000 0.257 272 A C 0.436 177.984 177.584 -0.059 0.000 1.087 272 A CA -0.139 51.910 52.037 0.020 0.000 0.798 272 A CB 0.523 19.654 19.000 0.218 0.000 1.033 272 A HN -0.159 nan 8.150 nan 0.000 0.488 273 D N -0.320 119.982 120.400 -0.163 0.000 2.566 273 D HA 0.123 4.763 4.640 0.001 0.000 0.253 273 D C 0.040 176.315 176.300 -0.042 0.000 0.992 273 D CA 1.431 55.370 54.000 -0.102 0.000 0.940 273 D CB -0.003 40.700 40.800 -0.161 0.000 1.095 273 D HN 0.485 nan 8.370 nan 0.000 0.480 274 T N 1.177 115.700 114.554 -0.051 0.000 2.792 274 T HA 0.532 4.883 4.350 0.001 0.000 0.280 274 T C -0.313 174.376 174.700 -0.019 0.000 0.990 274 T CA -0.546 61.536 62.100 -0.031 0.000 0.960 274 T CB 2.595 71.440 68.868 -0.037 0.000 0.939 274 T HN -0.299 nan 8.240 nan 0.000 0.439 275 V N 4.242 124.109 119.914 -0.078 0.000 2.459 275 V HA 0.445 4.565 4.120 0.001 0.000 0.295 275 V C -0.434 175.506 176.094 -0.256 0.000 1.029 275 V CA -0.887 61.340 62.300 -0.121 0.000 0.874 275 V CB 1.615 33.319 31.823 -0.199 0.000 0.985 275 V HN 0.670 nan 8.190 nan 0.000 0.438 276 L N 6.107 127.259 121.223 -0.118 0.000 2.314 276 L HA 0.491 4.832 4.340 0.001 0.000 0.275 276 L C -0.613 176.211 176.870 -0.077 0.000 1.068 276 L CA -0.175 54.590 54.840 -0.126 0.000 0.894 276 L CB 0.186 42.219 42.059 -0.044 0.000 1.275 276 L HN 0.541 nan 8.230 nan 0.000 0.432 277 F N 4.789 124.464 119.950 -0.458 0.000 2.541 277 F HA 0.519 5.047 4.527 0.002 0.000 0.347 277 F C 0.546 176.239 175.800 -0.177 0.000 1.242 277 F CA -0.654 57.122 58.000 -0.373 0.000 1.123 277 F CB 0.155 38.720 39.000 -0.726 0.000 1.354 277 F HN 0.588 nan 8.300 nan 0.000 0.621 278 A N 4.284 126.977 122.820 -0.211 0.000 2.253 278 A HA 0.542 4.862 4.320 0.001 0.000 0.316 278 A C 0.859 178.309 177.584 -0.223 0.000 1.327 278 A CA -0.116 51.819 52.037 -0.171 0.000 0.917 278 A CB -0.128 18.829 19.000 -0.072 0.000 1.162 278 A HN 1.544 nan 8.150 nan 0.000 0.535 279 G N 1.524 110.205 108.800 -0.199 0.000 2.350 279 G HA2 -0.004 3.957 3.960 0.001 0.000 0.298 279 G HA3 -0.004 3.957 3.960 0.001 0.000 0.298 279 G C 0.174 174.946 174.900 -0.213 0.000 1.037 279 G CA 0.842 45.852 45.100 -0.151 0.000 1.074 279 G HN 1.784 nan 8.290 nan 0.000 0.511 280 S N -1.013 114.440 115.700 -0.411 0.000 2.588 280 S HA 0.715 5.186 4.470 0.001 0.000 0.275 280 S C -0.165 174.351 174.600 -0.140 0.000 1.130 280 S CA -0.259 57.704 58.200 -0.396 0.000 0.855 280 S CB 1.837 64.572 63.200 -0.774 0.000 1.116 280 S HN 0.667 nan 8.310 nan 0.000 0.472 281 N N 2.017 120.795 118.700 0.130 0.000 2.588 281 N HA 0.236 4.977 4.740 0.001 0.000 0.298 281 N C -1.135 174.577 175.510 0.336 0.000 1.718 281 N CA -0.567 52.649 53.050 0.276 0.000 0.888 281 N CB -0.183 38.398 38.487 0.157 0.000 1.389 281 N HN 0.500 nan 8.380 nan 0.000 0.491 282 F N 2.501 122.642 119.950 0.319 0.000 2.473 282 F HA 0.072 4.600 4.527 0.001 0.000 0.405 282 F C -1.109 174.800 175.800 0.182 0.000 0.988 282 F CA -1.270 56.902 58.000 0.287 0.000 1.096 282 F CB 0.750 39.969 39.000 0.365 0.000 0.944 282 F HN 0.271 nan 8.300 nan 0.000 0.530 283 P HA -0.173 nan 4.420 nan 0.000 0.223 283 P C 1.261 178.106 177.300 -0.759 0.000 1.151 283 P CA 1.426 64.214 63.100 -0.520 0.000 0.787 283 P CB -0.111 31.262 31.700 -0.544 0.000 0.788 284 F N 0.256 119.611 119.950 -0.992 0.000 2.743 284 F HA 0.062 4.589 4.527 -0.001 0.000 0.297 284 F C 2.463 177.987 175.800 -0.459 0.000 1.131 284 F CA 0.380 57.925 58.000 -0.758 0.000 1.426 284 F CB -0.931 37.544 39.000 -0.875 0.000 1.116 284 F HN -0.136 nan 8.300 nan 0.000 0.583 285 S N 0.775 116.357 115.700 -0.196 0.000 2.412 285 S HA -0.332 4.138 4.470 0.001 0.000 0.246 285 S C 1.926 176.542 174.600 0.026 0.000 1.073 285 S CA 2.301 60.554 58.200 0.089 0.000 1.186 285 S CB -0.455 62.916 63.200 0.284 0.000 1.084 285 S HN 0.444 nan 8.310 nan 0.000 0.434 286 E N 0.433 120.634 120.200 0.002 0.000 2.028 286 E HA -0.060 4.291 4.350 0.001 0.000 0.190 286 E C 2.337 178.923 176.600 -0.024 0.000 0.984 286 E CA 1.121 57.519 56.400 -0.004 0.000 0.800 286 E CB -0.477 29.212 29.700 -0.019 0.000 0.758 286 E HN 0.531 nan 8.360 nan 0.000 0.448 287 V N -0.259 119.627 119.914 -0.047 0.000 2.720 287 V HA -0.113 4.007 4.120 0.001 0.000 0.256 287 V C 1.235 177.305 176.094 -0.041 0.000 1.082 287 V CA 1.533 63.810 62.300 -0.038 0.000 1.101 287 V CB -0.240 31.558 31.823 -0.041 0.000 0.693 287 V HN 0.076 nan 8.190 nan 0.000 0.479 288 E N 0.742 120.902 120.200 -0.067 0.000 2.498 288 E HA 0.262 4.612 4.350 0.001 0.000 0.203 288 E C 1.662 178.236 176.600 -0.043 0.000 1.013 288 E CA 0.552 56.898 56.400 -0.089 0.000 0.927 288 E CB 0.374 29.921 29.700 -0.254 0.000 1.012 288 E HN 0.856 nan 8.360 nan 0.000 0.482 289 G N 2.359 111.141 108.800 -0.031 0.000 2.305 289 G HA2 -0.361 3.599 3.960 0.001 0.000 0.287 289 G HA3 -0.361 3.599 3.960 0.001 0.000 0.287 289 G C 1.093 175.956 174.900 -0.063 0.000 1.036 289 G CA 0.994 46.083 45.100 -0.019 0.000 0.887 289 G HN 0.258 nan 8.290 nan 0.000 0.505 290 T N -0.112 114.353 114.554 -0.147 0.000 2.685 290 T HA -0.194 4.156 4.350 0.001 0.000 0.268 290 T C 1.480 175.925 174.700 -0.426 0.000 1.034 290 T CA 1.922 63.819 62.100 -0.339 0.000 1.149 290 T CB -0.229 68.290 68.868 -0.582 0.000 0.860 290 T HN 0.442 nan 8.240 nan 0.000 0.449 291 F N 1.356 121.346 119.950 0.068 0.000 2.750 291 F HA 0.339 4.866 4.527 0.000 0.000 0.297 291 F C 1.744 177.565 175.800 0.035 0.000 1.138 291 F CA -1.118 56.888 58.000 0.009 0.000 1.346 291 F CB -0.509 38.399 39.000 -0.154 0.000 0.965 291 F HN 0.106 nan 8.300 nan 0.000 0.514 292 R N -0.342 120.234 120.500 0.126 0.000 2.159 292 R HA -0.110 4.230 4.340 0.001 0.000 0.237 292 R C 0.609 176.956 176.300 0.078 0.000 1.131 292 R CA 1.638 57.794 56.100 0.094 0.000 0.982 292 R CB -0.404 29.909 30.300 0.022 0.000 0.868 292 R HN 0.115 nan 8.270 nan 0.000 0.453 293 N N 0.524 119.256 118.700 0.053 0.000 2.236 293 N HA 0.116 4.857 4.740 0.001 0.000 0.196 293 N C -0.486 175.072 175.510 0.079 0.000 1.114 293 N CA -0.014 53.065 53.050 0.047 0.000 0.859 293 N CB 0.860 39.341 38.487 -0.010 0.000 0.982 293 N HN -0.044 nan 8.380 nan 0.000 0.493 294 V N 1.879 121.861 119.914 0.113 0.000 2.715 294 V HA 0.016 4.136 4.120 0.001 0.000 0.299 294 V C 1.057 177.204 176.094 0.089 0.000 1.054 294 V CA 0.124 62.481 62.300 0.097 0.000 1.077 294 V CB 1.262 33.144 31.823 0.098 0.000 0.972 294 V HN 0.112 nan 8.190 nan 0.000 0.484 295 D N 2.434 122.870 120.400 0.060 0.000 2.197 295 D HA 0.060 4.701 4.640 0.001 0.000 0.212 295 D C 0.324 176.677 176.300 0.089 0.000 0.963 295 D CA 1.018 55.056 54.000 0.064 0.000 0.864 295 D CB 0.299 41.115 40.800 0.027 0.000 1.009 295 D HN 0.608 nan 8.370 nan 0.000 0.479 296 N N -0.914 117.827 118.700 0.070 0.000 2.240 296 N HA 0.434 5.175 4.740 0.001 0.000 0.302 296 N C -1.545 174.020 175.510 0.092 0.000 1.106 296 N CA -0.583 52.522 53.050 0.091 0.000 0.778 296 N CB 2.267 40.780 38.487 0.043 0.000 1.431 296 N HN -0.125 nan 8.380 nan 0.000 0.479 297 F N 1.793 121.692 119.950 -0.085 0.000 2.539 297 F HA 0.586 5.114 4.527 0.002 0.000 0.328 297 F C -1.443 174.282 175.800 -0.125 0.000 1.148 297 F CA -0.632 57.256 58.000 -0.188 0.000 0.940 297 F CB 0.817 39.648 39.000 -0.282 0.000 1.194 297 F HN 0.316 nan 8.300 nan 0.000 0.438 298 I N 5.595 125.939 120.570 -0.377 0.000 2.378 298 I HA 0.373 4.544 4.170 0.001 0.000 0.291 298 I C -0.809 175.126 176.117 -0.303 0.000 0.992 298 I CA -0.619 60.549 61.300 -0.221 0.000 1.154 298 I CB 1.898 39.809 38.000 -0.149 0.000 1.315 298 I HN 0.562 nan 8.210 nan 0.000 0.448 299 Q N 6.855 126.596 119.800 -0.099 0.000 2.365 299 Q HA 0.690 5.030 4.340 0.001 0.000 0.269 299 Q C -1.641 174.364 176.000 0.009 0.000 1.061 299 Q CA -0.651 55.154 55.803 0.004 0.000 0.816 299 Q CB 2.409 31.275 28.738 0.213 0.000 1.325 299 Q HN 0.632 nan 8.270 nan 0.000 0.446 300 I N 3.095 123.663 120.570 -0.004 0.000 2.436 300 I HA 0.496 4.666 4.170 0.001 0.000 0.289 300 I C -0.947 175.160 176.117 -0.017 0.000 1.010 300 I CA -0.568 60.718 61.300 -0.023 0.000 1.098 300 I CB 1.894 39.864 38.000 -0.051 0.000 1.266 300 I HN 0.639 nan 8.210 nan 0.000 0.434 301 D N 4.792 125.189 120.400 -0.005 0.000 2.685 301 D HA 0.285 4.925 4.640 0.001 0.000 0.236 301 D C 0.123 176.423 176.300 -0.001 0.000 1.233 301 D CA -0.426 53.575 54.000 0.001 0.000 0.760 301 D CB 2.279 43.098 40.800 0.032 0.000 1.410 301 D HN 0.534 nan 8.370 nan 0.000 0.439 302 I N -1.402 119.169 120.570 0.001 0.000 3.603 302 I HA 0.280 4.450 4.170 0.001 0.000 0.297 302 I C 0.371 176.490 176.117 0.003 0.000 1.269 302 I CA 0.110 61.409 61.300 -0.001 0.000 1.361 302 I CB 0.222 38.226 38.000 0.006 0.000 1.063 302 I HN -0.014 nan 8.210 nan 0.000 0.448 303 D N 2.213 122.622 120.400 0.014 0.000 2.392 303 D HA 0.294 4.934 4.640 0.001 0.000 0.228 303 D C -1.813 174.499 176.300 0.020 0.000 1.074 303 D CA -2.561 51.449 54.000 0.017 0.000 0.838 303 D CB 2.026 42.842 40.800 0.026 0.000 1.067 303 D HN -0.128 nan 8.370 nan 0.000 0.511 304 P HA -0.103 nan 4.420 nan 0.000 0.216 304 P C 0.954 178.266 177.300 0.020 0.000 1.150 304 P CA 1.220 64.328 63.100 0.012 0.000 0.837 304 P CB 0.236 31.937 31.700 0.002 0.000 0.786 305 A N -1.233 121.600 122.820 0.022 0.000 2.125 305 A HA -0.150 4.171 4.320 0.001 0.000 0.219 305 A C 1.939 179.545 177.584 0.038 0.000 1.156 305 A CA 1.447 53.499 52.037 0.025 0.000 0.671 305 A CB -1.071 17.942 19.000 0.021 0.000 0.794 305 A HN 0.091 nan 8.150 nan 0.000 0.459 306 M N -0.686 118.945 119.600 0.051 0.000 2.510 306 M HA 0.241 4.722 4.480 0.001 0.000 0.256 306 M C 0.244 176.604 176.300 0.099 0.000 1.132 306 M CA 0.364 55.713 55.300 0.082 0.000 1.105 306 M CB -0.748 31.910 32.600 0.096 0.000 1.375 306 M HN 0.215 nan 8.290 nan 0.000 0.477 307 L N 1.519 122.785 121.223 0.072 0.000 2.530 307 L HA 0.160 4.500 4.340 0.001 0.000 0.273 307 L C 1.245 178.142 176.870 0.046 0.000 1.141 307 L CA 0.264 55.146 54.840 0.070 0.000 0.905 307 L CB -0.634 41.449 42.059 0.041 0.000 1.202 307 L HN 0.676 nan 8.230 nan 0.000 0.473 308 G N 2.516 111.349 108.800 0.054 0.000 2.141 308 G HA2 -0.320 3.641 3.960 0.001 0.000 0.242 308 G HA3 -0.320 3.641 3.960 0.001 0.000 0.242 308 G C 1.022 175.902 174.900 -0.034 0.000 0.982 308 G CA 0.527 45.615 45.100 -0.020 0.000 0.662 308 G HN 0.727 nan 8.290 nan 0.000 0.527 309 K N -0.087 120.321 120.400 0.013 0.000 2.031 309 K HA 0.054 4.375 4.320 0.001 0.000 0.205 309 K C 2.435 179.020 176.600 -0.024 0.000 1.049 309 K CA 0.943 57.235 56.287 0.009 0.000 0.939 309 K CB -0.142 32.391 32.500 0.055 0.000 0.717 309 K HN 0.216 nan 8.250 nan 0.000 0.438 310 R N -0.112 120.369 120.500 -0.031 0.000 2.297 310 R HA 0.092 4.433 4.340 0.001 0.000 0.197 310 R C 0.261 176.445 176.300 -0.193 0.000 0.943 310 R CA 0.441 56.503 56.100 -0.063 0.000 1.038 310 R CB -0.095 30.209 30.300 0.007 0.000 0.957 310 R HN 0.413 nan 8.270 nan 0.000 0.484 311 H N -1.249 117.496 119.070 -0.542 0.000 2.984 311 H HA 0.001 4.558 4.556 0.001 0.000 0.298 311 H C -1.385 173.574 175.328 -0.615 0.000 1.378 311 H CA -0.862 54.758 56.048 -0.714 0.000 1.241 311 H CB 0.785 29.688 29.762 -1.432 0.000 1.894 311 H HN 0.121 nan 8.280 nan 0.000 0.511 312 H N 1.904 120.561 119.070 -0.688 0.000 3.034 312 H HA 0.418 4.975 4.556 0.001 0.000 0.324 312 H C -0.787 174.510 175.328 -0.052 0.000 1.015 312 H CA 0.825 56.694 56.048 -0.298 0.000 1.429 312 H CB 0.289 29.881 29.762 -0.285 0.000 1.429 312 H HN 0.600 nan 8.280 nan 0.000 0.585 313 A N 4.950 127.428 122.820 -0.571 0.000 2.249 313 A HA 0.185 4.506 4.320 0.001 0.000 0.314 313 A C 0.754 178.101 177.584 -0.394 0.000 1.290 313 A CA -0.536 51.382 52.037 -0.197 0.000 0.893 313 A CB 0.437 19.431 19.000 -0.011 0.000 1.165 313 A HN 0.977 nan 8.150 nan 0.000 0.530 314 D N 1.108 121.446 120.400 -0.104 0.000 2.234 314 D HA 0.022 4.662 4.640 0.001 0.000 0.205 314 D C 0.005 176.296 176.300 -0.015 0.000 0.962 314 D CA 1.488 55.479 54.000 -0.015 0.000 0.855 314 D CB 0.421 41.272 40.800 0.086 0.000 0.951 314 D HN 0.277 nan 8.370 nan 0.000 0.500 315 V N 0.478 120.382 119.914 -0.016 0.000 2.686 315 V HA 0.566 4.687 4.120 0.001 0.000 0.306 315 V C -0.797 175.289 176.094 -0.014 0.000 1.065 315 V CA -0.947 61.343 62.300 -0.016 0.000 0.894 315 V CB 2.026 33.838 31.823 -0.018 0.000 1.004 315 V HN 0.052 nan 8.190 nan 0.000 0.424 316 A N 5.973 128.786 122.820 -0.013 0.000 2.330 316 A HA 0.924 5.244 4.320 0.001 0.000 0.313 316 A C -0.937 176.642 177.584 -0.007 0.000 1.124 316 A CA -0.448 51.589 52.037 -0.001 0.000 0.774 316 A CB 0.893 19.892 19.000 -0.001 0.000 1.198 316 A HN 0.765 nan 8.150 nan 0.000 0.465 317 I N 3.182 123.747 120.570 -0.007 0.000 2.411 317 I HA 0.229 4.400 4.170 0.001 0.000 0.284 317 I C -0.884 175.224 176.117 -0.014 0.000 1.012 317 I CA -0.643 60.648 61.300 -0.016 0.000 1.119 317 I CB 1.672 39.657 38.000 -0.026 0.000 1.261 317 I HN 0.563 nan 8.210 nan 0.000 0.448 318 L N 7.409 128.623 121.223 -0.016 0.000 2.260 318 L HA 0.875 5.216 4.340 0.001 0.000 0.289 318 L C 0.211 177.065 176.870 -0.027 0.000 1.057 318 L CA 0.584 55.413 54.840 -0.018 0.000 0.811 318 L CB 0.450 42.498 42.059 -0.019 0.000 1.184 318 L HN 0.753 nan 8.230 nan 0.000 0.429 319 G N 3.205 111.989 108.800 -0.028 0.000 2.352 319 G HA2 0.076 4.036 3.960 0.001 0.000 0.302 319 G HA3 0.076 4.036 3.960 0.001 0.000 0.302 319 G C -1.630 173.248 174.900 -0.037 0.000 1.370 319 G CA -0.743 44.337 45.100 -0.034 0.000 0.918 319 G HN 0.689 nan 8.290 nan 0.000 0.610 320 D N -0.013 120.362 120.400 -0.041 0.000 2.488 320 D HA 0.466 5.107 4.640 0.001 0.000 0.238 320 D C 1.537 177.780 176.300 -0.095 0.000 1.138 320 D CA 1.082 55.050 54.000 -0.053 0.000 0.873 320 D CB 1.310 42.077 40.800 -0.055 0.000 1.183 320 D HN 0.841 nan 8.370 nan 0.000 0.458 321 A N 3.882 126.642 122.820 -0.101 0.000 1.930 321 A HA -0.011 4.310 4.320 0.001 0.000 0.217 321 A C 2.139 179.570 177.584 -0.255 0.000 1.175 321 A CA 1.743 53.705 52.037 -0.126 0.000 0.627 321 A CB -0.914 18.048 19.000 -0.064 0.000 0.815 321 A HN 0.693 nan 8.150 nan 0.000 0.443 322 A N 0.140 122.639 122.820 -0.535 0.000 1.851 322 A HA -0.098 4.222 4.320 0.001 0.000 0.216 322 A C 2.168 179.535 177.584 -0.361 0.000 1.195 322 A CA 1.599 53.114 52.037 -0.869 0.000 0.622 322 A CB -0.774 17.348 19.000 -1.463 0.000 0.831 322 A HN 0.472 nan 8.150 nan 0.000 0.444 323 L N -0.806 120.271 121.223 -0.244 0.000 2.042 323 L HA -0.231 4.109 4.340 0.001 0.000 0.210 323 L C 3.115 179.922 176.870 -0.105 0.000 1.076 323 L CA 1.199 55.960 54.840 -0.132 0.000 0.749 323 L CB -0.697 41.309 42.059 -0.089 0.000 0.893 323 L HN 0.470 nan 8.230 nan 0.000 0.432 324 A N 0.260 123.016 122.820 -0.107 0.000 1.877 324 A HA -0.178 4.142 4.320 0.001 0.000 0.216 324 A C 2.186 179.726 177.584 -0.074 0.000 1.186 324 A CA 1.399 53.389 52.037 -0.078 0.000 0.620 324 A CB -0.494 18.463 19.000 -0.071 0.000 0.822 324 A HN 0.269 nan 8.150 nan 0.000 0.443 325 I N 0.572 121.087 120.570 -0.092 0.000 2.226 325 I HA -0.197 3.973 4.170 0.001 0.000 0.245 325 I C 1.816 177.899 176.117 -0.057 0.000 1.100 325 I CA 1.561 62.820 61.300 -0.068 0.000 1.374 325 I CB -1.459 36.498 38.000 -0.071 0.000 1.057 325 I HN 0.306 nan 8.210 nan 0.000 0.413 326 D N 0.739 121.096 120.400 -0.071 0.000 2.097 326 D HA -0.165 4.476 4.640 0.001 0.000 0.195 326 D C 2.099 178.376 176.300 -0.039 0.000 0.989 326 D CA 1.017 54.987 54.000 -0.050 0.000 0.827 326 D CB -0.080 40.688 40.800 -0.054 0.000 0.966 326 D HN 0.319 nan 8.370 nan 0.000 0.456 327 E N 0.578 120.752 120.200 -0.043 0.000 2.077 327 E HA -0.120 4.230 4.350 0.001 0.000 0.193 327 E C 2.523 179.105 176.600 -0.030 0.000 0.989 327 E CA 0.368 56.747 56.400 -0.034 0.000 0.800 327 E CB -0.223 29.455 29.700 -0.035 0.000 0.746 327 E HN 0.413 nan 8.360 nan 0.000 0.452 328 I N 0.700 121.250 120.570 -0.032 0.000 2.179 328 I HA -0.269 3.902 4.170 0.001 0.000 0.242 328 I C 2.577 178.681 176.117 -0.023 0.000 1.088 328 I CA 0.570 61.854 61.300 -0.027 0.000 1.357 328 I CB -0.277 37.706 38.000 -0.028 0.000 1.051 328 I HN 0.082 nan 8.210 nan 0.000 0.409 329 L N 1.453 122.662 121.223 -0.023 0.000 2.013 329 L HA -0.264 4.077 4.340 0.001 0.000 0.212 329 L C 1.973 178.831 176.870 -0.020 0.000 1.073 329 L CA 2.148 56.976 54.840 -0.019 0.000 0.753 329 L CB -0.861 41.188 42.059 -0.018 0.000 0.890 329 L HN 0.221 nan 8.230 nan 0.000 0.432 330 N N -0.563 118.125 118.700 -0.020 0.000 2.270 330 N HA -0.116 4.624 4.740 0.001 0.000 0.181 330 N C 1.564 177.064 175.510 -0.018 0.000 1.016 330 N CA 1.316 54.355 53.050 -0.018 0.000 0.870 330 N CB -0.116 38.361 38.487 -0.017 0.000 0.979 330 N HN 0.437 nan 8.380 nan 0.000 0.431 331 K N -0.185 120.203 120.400 -0.019 0.000 2.323 331 K HA 0.151 4.471 4.320 0.001 0.000 0.197 331 K C 0.327 176.916 176.600 -0.018 0.000 1.043 331 K CA -0.034 56.243 56.287 -0.017 0.000 0.997 331 K CB 0.435 32.925 32.500 -0.017 0.000 0.807 331 K HN -0.028 nan 8.250 nan 0.000 0.497 332 V N 2.488 122.390 119.914 -0.019 0.000 2.924 332 V HA -0.028 4.093 4.120 0.001 0.000 0.305 332 V C -0.435 175.645 176.094 -0.023 0.000 1.073 332 V CA -0.142 62.146 62.300 -0.020 0.000 1.098 332 V CB 0.937 32.748 31.823 -0.020 0.000 1.000 332 V HN 0.166 nan 8.190 nan 0.000 0.484 333 D N 3.789 124.175 120.400 -0.023 0.000 2.350 333 D HA 0.455 5.096 4.640 0.001 0.000 0.249 333 D C 0.180 176.459 176.300 -0.036 0.000 1.119 333 D CA 0.341 54.325 54.000 -0.026 0.000 0.886 333 D CB 1.472 42.259 40.800 -0.023 0.000 1.195 333 D HN 0.824 nan 8.370 nan 0.000 0.437 334 A N 1.960 124.756 122.820 -0.040 0.000 2.425 334 A HA 0.392 4.712 4.320 0.001 0.000 0.249 334 A C -0.158 177.388 177.584 -0.064 0.000 1.084 334 A CA -0.423 51.580 52.037 -0.056 0.000 0.781 334 A CB 0.528 19.497 19.000 -0.052 0.000 1.019 334 A HN 0.362 nan 8.150 nan 0.000 0.490 335 V N 2.816 122.673 119.914 -0.095 0.000 2.357 335 V HA 0.200 4.321 4.120 0.001 0.000 0.284 335 V C 1.044 177.062 176.094 -0.126 0.000 1.018 335 V CA -0.168 62.074 62.300 -0.098 0.000 0.841 335 V CB 1.145 32.904 31.823 -0.106 0.000 0.991 335 V HN 1.135 nan 8.190 nan 0.000 0.437 336 E N 3.774 123.923 120.200 -0.084 0.000 2.046 336 E HA -0.079 4.272 4.350 0.001 0.000 0.190 336 E C 0.616 177.164 176.600 -0.087 0.000 0.982 336 E CA 1.409 57.762 56.400 -0.078 0.000 0.800 336 E CB 0.335 30.010 29.700 -0.042 0.000 0.756 336 E HN 0.900 nan 8.360 nan 0.000 0.449 337 E N -1.745 118.421 120.200 -0.057 0.000 2.390 337 E HA 0.566 4.917 4.350 0.001 0.000 0.277 337 E C -1.335 175.276 176.600 0.019 0.000 0.939 337 E CA -0.910 55.477 56.400 -0.022 0.000 0.769 337 E CB 1.741 31.451 29.700 0.017 0.000 1.251 337 E HN -0.050 nan 8.360 nan 0.000 0.450 338 S N 0.920 116.674 115.700 0.089 0.000 2.603 338 S HA 0.603 5.073 4.470 0.001 0.000 0.274 338 S C 0.162 174.907 174.600 0.243 0.000 1.168 338 S CA -0.079 58.226 58.200 0.176 0.000 0.963 338 S CB 1.037 64.376 63.200 0.232 0.000 1.078 338 S HN 0.998 nan 8.310 nan 0.000 0.477 339 A N 5.015 127.963 122.820 0.214 0.000 1.933 339 A HA 0.006 4.326 4.320 0.001 0.000 0.218 339 A C 1.825 179.577 177.584 0.279 0.000 1.175 339 A CA 1.251 53.408 52.037 0.199 0.000 0.628 339 A CB -0.929 18.165 19.000 0.155 0.000 0.814 339 A HN 1.013 nan 8.150 nan 0.000 0.444 340 W N -0.323 121.059 121.300 0.137 0.000 2.335 340 W HA -0.217 4.443 4.660 0.000 0.000 0.311 340 W C 2.171 178.827 176.519 0.229 0.000 1.213 340 W CA 1.593 59.040 57.345 0.170 0.000 1.274 340 W CB -0.452 29.105 29.460 0.161 0.000 1.148 340 W HN 0.603 nan 8.180 nan 0.000 0.498 341 W N 1.920 123.217 121.300 -0.005 0.000 2.355 341 W HA -0.202 4.459 4.660 0.001 0.000 0.309 341 W C 2.068 178.487 176.519 -0.166 0.000 1.206 341 W CA 2.503 59.741 57.345 -0.179 0.000 1.284 341 W CB -0.860 28.572 29.460 -0.047 0.000 1.145 341 W HN -0.204 nan 8.180 nan 0.000 0.502 342 T N 1.592 116.226 114.554 0.134 0.000 2.720 342 T HA -0.193 4.157 4.350 0.001 0.000 0.268 342 T C 2.066 176.703 174.700 -0.105 0.000 1.037 342 T CA 2.360 64.460 62.100 0.001 0.000 1.144 342 T CB -0.764 68.162 68.868 0.096 0.000 0.864 342 T HN 0.250 nan 8.240 nan 0.000 0.444 343 A N 2.097 124.898 122.820 -0.032 0.000 1.898 343 A HA -0.127 4.193 4.320 0.001 0.000 0.216 343 A C 2.317 179.901 177.584 0.000 0.000 1.181 343 A CA 1.322 53.369 52.037 0.018 0.000 0.620 343 A CB -0.574 18.462 19.000 0.060 0.000 0.819 343 A HN 0.416 nan 8.150 nan 0.000 0.442 344 N N 0.158 118.745 118.700 -0.189 0.000 2.120 344 N HA -0.089 4.652 4.740 0.001 0.000 0.188 344 N C 1.778 176.984 175.510 -0.507 0.000 1.024 344 N CA 1.427 54.225 53.050 -0.420 0.000 0.852 344 N CB -0.344 37.698 38.487 -0.742 0.000 1.003 344 N HN 0.481 nan 8.380 nan 0.000 0.424 345 L N 1.356 122.219 121.223 -0.600 0.000 2.042 345 L HA -0.173 4.168 4.340 0.001 0.000 0.210 345 L C 2.269 178.875 176.870 -0.440 0.000 1.076 345 L CA 1.327 55.812 54.840 -0.592 0.000 0.749 345 L CB -0.375 41.305 42.059 -0.632 0.000 0.893 345 L HN 0.135 nan 8.230 nan 0.000 0.432 346 K N -0.205 119.932 120.400 -0.438 0.000 2.097 346 K HA -0.173 4.147 4.320 0.001 0.000 0.205 346 K C 1.893 178.013 176.600 -0.799 0.000 1.050 346 K CA 1.403 57.350 56.287 -0.566 0.000 0.938 346 K CB -0.179 31.954 32.500 -0.611 0.000 0.718 346 K HN 0.166 nan 8.250 nan 0.000 0.442 347 N N 1.289 119.570 118.700 -0.698 0.000 2.188 347 N HA -0.082 4.659 4.740 0.001 0.000 0.184 347 N C 1.526 176.921 175.510 -0.192 0.000 1.018 347 N CA 0.999 53.816 53.050 -0.390 0.000 0.858 347 N CB 0.025 38.467 38.487 -0.076 0.000 0.989 347 N HN 0.097 nan 8.380 nan 0.000 0.426 348 I N 0.024 120.450 120.570 -0.241 0.000 2.202 348 I HA -0.194 3.977 4.170 0.001 0.000 0.242 348 I C 2.244 178.355 176.117 -0.010 0.000 1.091 348 I CA 1.001 62.244 61.300 -0.095 0.000 1.368 348 I CB -0.406 37.475 38.000 -0.198 0.000 1.058 348 I HN 0.160 nan 8.210 nan 0.000 0.410 349 A N 0.814 123.554 122.820 -0.134 0.000 1.940 349 A HA -0.283 4.037 4.320 0.001 0.000 0.219 349 A C 2.180 179.747 177.584 -0.030 0.000 1.176 349 A CA 2.180 54.158 52.037 -0.100 0.000 0.631 349 A CB -1.055 17.852 19.000 -0.155 0.000 0.814 349 A HN 0.575 nan 8.150 nan 0.000 0.446 350 N N -1.242 117.445 118.700 -0.020 0.000 2.120 350 N HA -0.202 4.538 4.740 0.001 0.000 0.188 350 N C 1.879 177.484 175.510 0.159 0.000 1.024 350 N CA 1.648 54.754 53.050 0.093 0.000 0.852 350 N CB -0.328 38.277 38.487 0.197 0.000 1.003 350 N HN 0.822 nan 8.380 nan 0.000 0.424 351 W N 2.108 123.399 121.300 -0.015 0.000 2.381 351 W HA -0.078 4.583 4.660 0.001 0.000 0.301 351 W C 1.739 178.251 176.519 -0.012 0.000 1.205 351 W CA 0.738 58.083 57.345 -0.001 0.000 1.285 351 W CB -0.179 29.262 29.460 -0.032 0.000 1.133 351 W HN 0.103 nan 8.180 nan 0.000 0.521 352 R N 0.153 120.617 120.500 -0.060 0.000 2.115 352 R HA -0.133 4.207 4.340 0.001 0.000 0.230 352 R C 1.979 178.176 176.300 -0.172 0.000 1.111 352 R CA 1.158 57.144 56.100 -0.191 0.000 0.976 352 R CB -0.331 29.937 30.300 -0.054 0.000 0.870 352 R HN 0.170 nan 8.270 nan 0.000 0.445 353 E N 0.201 120.350 120.200 -0.084 0.000 2.077 353 E HA -0.212 4.139 4.350 0.001 0.000 0.193 353 E C 1.735 178.275 176.600 -0.100 0.000 0.989 353 E CA 1.116 57.480 56.400 -0.061 0.000 0.800 353 E CB -0.364 29.334 29.700 -0.003 0.000 0.746 353 E HN 0.351 nan 8.360 nan 0.000 0.452 354 Y N 1.779 121.930 120.300 -0.248 0.000 2.114 354 Y HA -0.221 4.330 4.550 0.001 0.000 0.284 354 Y C 2.158 177.795 175.900 -0.439 0.000 1.143 354 Y CA 1.363 59.272 58.100 -0.318 0.000 1.135 354 Y CB -0.356 37.896 38.460 -0.347 0.000 0.980 354 Y HN -0.088 nan 8.280 nan 0.000 0.499 355 I N 0.916 121.026 120.570 -0.767 0.000 2.208 355 I HA -0.311 3.860 4.170 0.001 0.000 0.245 355 I C 2.226 178.063 176.117 -0.466 0.000 1.097 355 I CA 1.949 62.777 61.300 -0.786 0.000 1.363 355 I CB -1.712 35.802 38.000 -0.809 0.000 1.051 355 I HN 0.386 nan 8.210 nan 0.000 0.413 356 N N 1.552 120.067 118.700 -0.307 0.000 2.120 356 N HA -0.224 4.516 4.740 0.001 0.000 0.188 356 N C 1.895 177.289 175.510 -0.193 0.000 1.024 356 N CA 1.762 54.710 53.050 -0.170 0.000 0.852 356 N CB -0.192 38.244 38.487 -0.084 0.000 1.003 356 N HN 0.373 nan 8.380 nan 0.000 0.424 357 M N -0.767 118.692 119.600 -0.236 0.000 2.229 357 M HA 0.044 4.525 4.480 0.001 0.000 0.264 357 M C 1.534 177.674 176.300 -0.266 0.000 1.063 357 M CA 1.475 56.653 55.300 -0.203 0.000 1.114 357 M CB -0.528 31.972 32.600 -0.166 0.000 1.387 357 M HN 0.069 nan 8.290 nan 0.000 0.420 358 L N 0.052 121.008 121.223 -0.445 0.000 2.072 358 L HA -0.082 4.259 4.340 0.001 0.000 0.205 358 L C 2.461 179.155 176.870 -0.293 0.000 1.079 358 L CA 1.488 56.010 54.840 -0.530 0.000 0.752 358 L CB -0.684 40.706 42.059 -1.115 0.000 0.906 358 L HN 0.422 nan 8.230 nan 0.000 0.436 359 E N -0.549 119.494 120.200 -0.262 0.000 2.150 359 E HA -0.161 4.189 4.350 0.001 0.000 0.193 359 E C 1.538 178.085 176.600 -0.088 0.000 0.985 359 E CA 1.621 57.940 56.400 -0.136 0.000 0.814 359 E CB 0.017 29.639 29.700 -0.131 0.000 0.752 359 E HN 0.490 nan 8.360 nan 0.000 0.466 360 T N -1.148 113.349 114.554 -0.096 0.000 3.206 360 T HA 0.194 4.544 4.350 0.001 0.000 0.253 360 T C 0.337 175.005 174.700 -0.054 0.000 1.042 360 T CA -0.450 61.613 62.100 -0.062 0.000 0.931 360 T CB 0.024 68.861 68.868 -0.052 0.000 1.029 360 T HN -0.149 nan 8.240 nan 0.000 0.564 361 K N 1.261 121.626 120.400 -0.059 0.000 2.336 361 K HA 0.133 4.453 4.320 0.001 0.000 0.262 361 K C 0.783 177.365 176.600 -0.030 0.000 0.992 361 K CA 0.143 56.403 56.287 -0.045 0.000 0.927 361 K CB 0.648 33.125 32.500 -0.038 0.000 0.956 361 K HN 0.366 nan 8.250 nan 0.000 0.495 362 E N 0.922 121.107 120.200 -0.025 0.000 2.372 362 E HA 0.016 4.366 4.350 0.001 0.000 0.201 362 E C -0.387 176.203 176.600 -0.017 0.000 0.938 362 E CA 0.477 56.866 56.400 -0.019 0.000 0.944 362 E CB 0.672 30.363 29.700 -0.016 0.000 0.937 362 E HN 0.485 nan 8.360 nan 0.000 0.495 363 E N -0.725 119.464 120.200 -0.018 0.000 2.413 363 E HA 0.590 4.940 4.350 0.001 0.000 0.277 363 E C -0.399 176.190 176.600 -0.019 0.000 0.958 363 E CA -0.626 55.764 56.400 -0.018 0.000 0.779 363 E CB 2.493 32.184 29.700 -0.016 0.000 1.278 363 E HN 0.133 nan 8.360 nan 0.000 0.456 364 G N 1.206 109.993 108.800 -0.020 0.000 2.331 364 G HA2 -0.061 3.899 3.960 0.001 0.000 0.402 364 G HA3 -0.061 3.899 3.960 0.001 0.000 0.402 364 G C -1.642 173.242 174.900 -0.028 0.000 1.275 364 G CA -1.057 44.029 45.100 -0.022 0.000 1.003 364 G HN 0.437 nan 8.290 nan 0.000 0.500 365 D N 0.246 120.627 120.400 -0.031 0.000 2.390 365 D HA 0.401 5.042 4.640 0.001 0.000 0.249 365 D C 0.792 177.061 176.300 -0.053 0.000 1.144 365 D CA -0.137 53.837 54.000 -0.043 0.000 0.880 365 D CB 1.577 42.349 40.800 -0.046 0.000 1.182 365 D HN 0.507 nan 8.370 nan 0.000 0.451 366 L N 2.648 123.831 121.223 -0.067 0.000 2.525 366 L HA -0.003 4.337 4.340 0.001 0.000 0.278 366 L C 0.109 176.895 176.870 -0.139 0.000 1.218 366 L CA 0.928 55.717 54.840 -0.085 0.000 0.878 366 L CB 0.179 42.188 42.059 -0.083 0.000 1.127 366 L HN 0.326 nan 8.230 nan 0.000 0.492 367 Q N 2.997 122.698 119.800 -0.165 0.000 2.496 367 Q HA 0.287 4.627 4.340 0.001 0.000 0.286 367 Q C 0.568 176.327 176.000 -0.402 0.000 1.103 367 Q CA -0.769 54.842 55.803 -0.320 0.000 0.813 367 Q CB 1.344 29.928 28.738 -0.256 0.000 1.444 367 Q HN 0.570 nan 8.270 nan 0.000 0.443 368 F N 0.025 119.571 119.950 -0.673 0.000 2.063 368 F HA -0.350 4.178 4.527 0.001 0.000 0.298 368 F C 1.843 177.418 175.800 -0.376 0.000 1.109 368 F CA 1.728 59.321 58.000 -0.677 0.000 1.212 368 F CB -0.390 38.151 39.000 -0.765 0.000 0.973 368 F HN 0.621 nan 8.300 nan 0.000 0.480 369 Y N -0.051 120.226 120.300 -0.039 0.000 2.062 369 Y HA -0.356 4.194 4.550 0.000 0.000 0.273 369 Y C 2.378 178.195 175.900 -0.138 0.000 1.206 369 Y CA 1.590 59.517 58.100 -0.289 0.000 1.125 369 Y CB -1.688 36.532 38.460 -0.401 0.000 0.951 369 Y HN 0.144 nan 8.280 nan 0.000 0.501 370 Q N -0.382 119.440 119.800 0.037 0.000 2.297 370 Q HA -0.029 4.312 4.340 0.001 0.000 0.204 370 Q C 2.322 178.313 176.000 -0.016 0.000 0.962 370 Q CA 1.026 56.828 55.803 -0.001 0.000 0.879 370 Q CB -0.461 28.268 28.738 -0.013 0.000 0.947 370 Q HN 0.397 nan 8.270 nan 0.000 0.462 371 V N -0.439 119.465 119.914 -0.017 0.000 2.358 371 V HA -0.247 3.873 4.120 0.001 0.000 0.246 371 V C 1.467 177.503 176.094 -0.097 0.000 1.047 371 V CA 1.649 63.914 62.300 -0.058 0.000 1.035 371 V CB -0.587 31.248 31.823 0.020 0.000 0.658 371 V HN 0.373 nan 8.190 nan 0.000 0.452 372 Y N 0.521 120.830 120.300 0.016 0.000 2.242 372 Y HA -0.195 4.355 4.550 0.001 0.000 0.291 372 Y C 2.690 178.480 175.900 -0.184 0.000 1.137 372 Y CA 1.806 59.859 58.100 -0.078 0.000 1.181 372 Y CB -0.380 38.049 38.460 -0.052 0.000 0.989 372 Y HN 0.290 nan 8.280 nan 0.000 0.527 373 N N 0.553 119.248 118.700 -0.009 0.000 2.069 373 N HA -0.249 4.492 4.740 0.001 0.000 0.191 373 N C 2.000 177.470 175.510 -0.066 0.000 1.031 373 N CA 1.379 54.373 53.050 -0.094 0.000 0.852 373 N CB -0.173 38.277 38.487 -0.061 0.000 1.018 373 N HN 0.372 nan 8.380 nan 0.000 0.423 374 A N 1.446 124.252 122.820 -0.024 0.000 1.902 374 A HA -0.078 4.243 4.320 0.001 0.000 0.217 374 A C 2.293 179.914 177.584 0.062 0.000 1.181 374 A CA 0.935 52.998 52.037 0.042 0.000 0.623 374 A CB -0.618 18.366 19.000 -0.027 0.000 0.818 374 A HN 0.383 nan 8.150 nan 0.000 0.443 375 I N 0.175 120.696 120.570 -0.081 0.000 2.226 375 I HA -0.276 3.895 4.170 0.001 0.000 0.245 375 I C 2.017 178.028 176.117 -0.176 0.000 1.100 375 I CA 1.211 62.366 61.300 -0.241 0.000 1.374 375 I CB -0.529 37.200 38.000 -0.451 0.000 1.057 375 I HN 0.317 nan 8.210 nan 0.000 0.413 376 N N 1.114 119.703 118.700 -0.184 0.000 2.166 376 N HA -0.147 4.594 4.740 0.001 0.000 0.186 376 N C 1.440 176.887 175.510 -0.105 0.000 1.019 376 N CA 1.172 54.090 53.050 -0.220 0.000 0.856 376 N CB -0.511 37.710 38.487 -0.444 0.000 0.993 376 N HN 0.397 nan 8.380 nan 0.000 0.426 377 N N -0.010 118.660 118.700 -0.050 0.000 2.463 377 N HA -0.044 4.697 4.740 0.001 0.000 0.181 377 N C 0.568 175.938 175.510 -0.233 0.000 1.078 377 N CA 0.663 53.651 53.050 -0.102 0.000 0.902 377 N CB 0.058 38.485 38.487 -0.100 0.000 0.970 377 N HN 0.483 nan 8.380 nan 0.000 0.451 378 H N -0.975 118.113 119.070 0.031 0.000 3.058 378 H HA 0.439 4.996 4.556 0.001 0.000 0.258 378 H C 0.432 175.871 175.328 0.185 0.000 1.015 378 H CA -0.104 56.003 56.048 0.098 0.000 1.210 378 H CB 0.484 30.317 29.762 0.118 0.000 1.481 378 H HN 0.047 nan 8.280 nan 0.000 0.492 379 A N 0.768 123.758 122.820 0.285 0.000 2.386 379 A HA 0.163 4.484 4.320 0.001 0.000 0.248 379 A C -0.185 177.542 177.584 0.239 0.000 1.082 379 A CA -0.432 51.828 52.037 0.373 0.000 0.789 379 A CB 0.198 19.308 19.000 0.184 0.000 1.025 379 A HN 0.175 nan 8.150 nan 0.000 0.490 380 D N 0.348 120.897 120.400 0.250 0.000 2.362 380 D HA 0.108 4.748 4.640 0.001 0.000 0.242 380 D C 1.510 177.894 176.300 0.141 0.000 1.132 380 D CA 0.345 54.435 54.000 0.150 0.000 0.907 380 D CB 0.702 41.569 40.800 0.112 0.000 1.195 380 D HN 0.731 nan 8.370 nan 0.000 0.429 381 E N 0.529 120.795 120.200 0.110 0.000 2.338 381 E HA -0.179 4.171 4.350 0.001 0.000 0.197 381 E C 0.199 176.869 176.600 0.117 0.000 1.007 381 E CA 0.796 57.266 56.400 0.117 0.000 0.849 381 E CB 0.045 29.805 29.700 0.100 0.000 0.774 381 E HN 0.375 nan 8.360 nan 0.000 0.506 382 D N 0.871 121.322 120.400 0.085 0.000 2.501 382 D HA 0.202 4.843 4.640 0.001 0.000 0.226 382 D C 0.184 176.498 176.300 0.024 0.000 1.198 382 D CA -0.306 53.726 54.000 0.053 0.000 0.830 382 D CB 0.147 40.953 40.800 0.010 0.000 1.014 382 D HN 0.244 nan 8.370 nan 0.000 0.496 383 A N 0.665 123.519 122.820 0.057 0.000 2.520 383 A HA 0.337 4.657 4.320 0.001 0.000 0.235 383 A C 0.300 177.784 177.584 -0.166 0.000 1.065 383 A CA 0.044 52.058 52.037 -0.037 0.000 0.764 383 A CB 0.118 19.110 19.000 -0.013 0.000 1.002 383 A HN 0.400 nan 8.150 nan 0.000 0.502 384 I N 1.048 121.471 120.570 -0.245 0.000 2.377 384 I HA 0.335 4.506 4.170 0.001 0.000 0.293 384 I C -1.189 174.756 176.117 -0.287 0.000 0.987 384 I CA -0.250 60.929 61.300 -0.202 0.000 1.185 384 I CB 1.308 39.117 38.000 -0.319 0.000 1.341 384 I HN 0.607 nan 8.210 nan 0.000 0.455 385 Y N 3.904 124.334 120.300 0.218 0.000 2.328 385 Y HA 0.319 4.870 4.550 0.001 0.000 0.336 385 Y C 0.349 176.351 175.900 0.171 0.000 0.960 385 Y CA -0.605 57.617 58.100 0.203 0.000 1.134 385 Y CB 1.964 40.544 38.460 0.200 0.000 1.166 385 Y HN 0.389 nan 8.280 nan 0.000 0.464 386 S N 5.227 121.080 115.700 0.257 0.000 2.461 386 S HA 0.545 5.016 4.470 0.001 0.000 0.322 386 S C -0.754 173.877 174.600 0.052 0.000 1.063 386 S CA -0.644 57.691 58.200 0.225 0.000 1.120 386 S CB -0.310 63.024 63.200 0.224 0.000 0.968 386 S HN 0.458 nan 8.310 nan 0.000 0.467 387 I N 4.304 124.769 120.570 -0.175 0.000 2.331 387 I HA 0.382 4.552 4.170 0.001 0.000 0.292 387 I C 0.834 176.879 176.117 -0.120 0.000 0.998 387 I CA -0.581 60.593 61.300 -0.211 0.000 1.267 387 I CB 1.140 38.779 38.000 -0.601 0.000 1.386 387 I HN 0.594 nan 8.210 nan 0.000 0.476 388 D N 4.360 124.757 120.400 -0.005 0.000 2.478 388 D HA 0.319 4.960 4.640 0.001 0.000 0.269 388 D C -0.713 175.587 176.300 -0.000 0.000 1.232 388 D CA -0.258 53.752 54.000 0.016 0.000 1.059 388 D CB 2.080 42.922 40.800 0.069 0.000 1.104 388 D HN 0.108 nan 8.370 nan 0.000 0.566 389 V N 0.564 120.478 119.914 -0.000 0.000 2.383 389 V HA 0.658 4.779 4.120 0.001 0.000 0.275 389 V C 0.966 177.005 176.094 -0.091 0.000 1.036 389 V CA 0.419 62.684 62.300 -0.058 0.000 0.889 389 V CB 0.436 32.233 31.823 -0.043 0.000 0.985 389 V HN 0.855 nan 8.190 nan 0.000 0.459 390 G N 4.010 112.631 108.800 -0.297 0.000 2.288 390 G HA2 -0.103 3.858 3.960 0.001 0.000 0.227 390 G HA3 -0.103 3.858 3.960 0.001 0.000 0.227 390 G C 0.372 175.078 174.900 -0.324 0.000 1.339 390 G CA -0.035 44.856 45.100 -0.348 0.000 1.057 390 G HN 0.442 nan 8.290 nan 0.000 0.470 391 N N 0.173 118.915 118.700 0.070 0.000 2.272 391 N HA -0.109 4.631 4.740 0.001 0.000 0.185 391 N C 2.285 177.701 175.510 -0.158 0.000 1.014 391 N CA 1.258 54.331 53.050 0.039 0.000 0.870 391 N CB -0.084 38.453 38.487 0.084 0.000 0.975 391 N HN 0.311 nan 8.380 nan 0.000 0.433 392 S N 0.063 115.783 115.700 0.033 0.000 2.382 392 S HA -0.108 4.363 4.470 0.001 0.000 0.228 392 S C 2.003 176.686 174.600 0.139 0.000 1.027 392 S CA 1.292 59.600 58.200 0.179 0.000 0.991 392 S CB -0.281 63.119 63.200 0.334 0.000 0.823 392 S HN 0.445 nan 8.310 nan 0.000 0.469 393 T N 1.756 116.343 114.554 0.056 0.000 2.737 393 T HA -0.134 4.216 4.350 0.001 0.000 0.265 393 T C 1.905 176.681 174.700 0.126 0.000 1.038 393 T CA 1.218 63.406 62.100 0.146 0.000 1.144 393 T CB -0.358 68.545 68.868 0.059 0.000 0.866 393 T HN 0.423 nan 8.240 nan 0.000 0.434 394 Q N 0.792 120.609 119.800 0.028 0.000 2.061 394 Q HA -0.180 4.161 4.340 0.001 0.000 0.204 394 Q C 2.494 178.456 176.000 -0.062 0.000 0.984 394 Q CA 2.161 57.992 55.803 0.046 0.000 0.846 394 Q CB -0.288 28.530 28.738 0.134 0.000 0.902 394 Q HN 0.731 nan 8.270 nan 0.000 0.421 395 T N -1.753 112.700 114.554 -0.169 0.000 2.896 395 T HA -0.092 4.258 4.350 0.001 0.000 0.263 395 T C 2.093 176.518 174.700 -0.458 0.000 1.050 395 T CA 1.241 63.187 62.100 -0.256 0.000 1.140 395 T CB -0.561 68.065 68.868 -0.404 0.000 0.877 395 T HN 0.396 nan 8.240 nan 0.000 0.457 396 S N 3.344 118.866 115.700 -0.297 0.000 2.370 396 S HA -0.153 4.317 4.470 0.001 0.000 0.226 396 S C 2.071 176.462 174.600 -0.349 0.000 1.033 396 S CA 1.345 59.347 58.200 -0.330 0.000 1.011 396 S CB -1.082 62.291 63.200 0.287 0.000 0.852 396 S HN 0.752 nan 8.310 nan 0.000 0.457 397 I N -0.510 119.851 120.570 -0.349 0.000 3.291 397 I HA 0.252 4.423 4.170 0.001 0.000 0.279 397 I C 2.159 177.976 176.117 -0.501 0.000 1.294 397 I CA 0.499 61.341 61.300 -0.763 0.000 1.428 397 I CB -0.417 36.836 38.000 -1.245 0.000 1.070 397 I HN 0.079 nan 8.210 nan 0.000 0.478 398 R N -0.555 119.676 120.500 -0.448 0.000 2.146 398 R HA 0.193 4.533 4.340 0.001 0.000 0.206 398 R C 1.530 177.336 176.300 -0.824 0.000 1.049 398 R CA 0.551 56.263 56.100 -0.646 0.000 1.029 398 R CB -0.135 29.663 30.300 -0.838 0.000 0.949 398 R HN 0.470 nan 8.270 nan 0.000 0.471 399 H N -0.468 118.318 119.070 -0.474 0.000 2.740 399 H HA 0.234 4.790 4.556 0.001 0.000 0.265 399 H C 0.410 175.450 175.328 -0.481 0.000 0.978 399 H CA 0.032 55.790 56.048 -0.485 0.000 1.198 399 H CB 0.647 30.069 29.762 -0.566 0.000 1.467 399 H HN 0.005 nan 8.280 nan 0.000 0.511 400 L N 1.494 122.493 121.223 -0.374 0.000 2.395 400 L HA 0.157 4.497 4.340 0.001 0.000 0.269 400 L C 0.264 177.034 176.870 -0.168 0.000 1.133 400 L CA -0.066 54.572 54.840 -0.336 0.000 0.812 400 L CB 0.894 42.728 42.059 -0.375 0.000 1.125 400 L HN 0.178 nan 8.230 nan 0.000 0.452 401 H N 3.953 122.765 119.070 -0.430 0.000 2.556 401 H HA 0.334 4.890 4.556 0.001 0.000 0.240 401 H C -0.373 174.788 175.328 -0.278 0.000 1.543 401 H CA -0.620 55.014 56.048 -0.689 0.000 1.287 401 H CB 0.445 29.294 29.762 -1.522 0.000 1.529 401 H HN 0.469 nan 8.280 nan 0.000 0.553 402 M N 1.268 120.962 119.600 0.156 0.000 2.267 402 M HA 0.315 4.796 4.480 0.001 0.000 0.303 402 M C 0.613 177.132 176.300 0.365 0.000 1.164 402 M CA -0.275 55.167 55.300 0.236 0.000 1.060 402 M CB 1.574 34.289 32.600 0.192 0.000 1.455 402 M HN 0.431 nan 8.290 nan 0.000 0.483 403 T N -3.198 111.524 114.554 0.281 0.000 2.787 403 T HA 0.431 4.782 4.350 0.001 0.000 0.297 403 T C -2.646 172.143 174.700 0.148 0.000 1.221 403 T CA -1.510 60.725 62.100 0.224 0.000 1.006 403 T CB 1.413 70.410 68.868 0.216 0.000 1.328 403 T HN 0.276 nan 8.240 nan 0.000 0.509 404 P HA 0.024 nan 4.420 nan 0.000 0.223 404 P C 0.995 178.329 177.300 0.057 0.000 1.144 404 P CA 0.902 64.021 63.100 0.031 0.000 0.783 404 P CB -0.010 31.669 31.700 -0.035 0.000 0.771 405 K N -1.090 119.358 120.400 0.081 0.000 2.283 405 K HA -0.040 4.280 4.320 0.001 0.000 0.202 405 K C 0.608 177.264 176.600 0.093 0.000 1.048 405 K CA 0.618 56.949 56.287 0.073 0.000 0.948 405 K CB -0.357 32.192 32.500 0.082 0.000 0.742 405 K HN 0.361 nan 8.250 nan 0.000 0.458 406 N N -0.131 118.663 118.700 0.156 0.000 2.447 406 N HA 0.344 5.085 4.740 0.001 0.000 0.271 406 N C -0.594 175.060 175.510 0.240 0.000 1.226 406 N CA -0.259 52.927 53.050 0.228 0.000 0.980 406 N CB 0.880 39.589 38.487 0.370 0.000 1.206 406 N HN -0.149 nan 8.380 nan 0.000 0.558 407 M N 0.703 120.503 119.600 0.334 0.000 2.324 407 M HA 0.271 4.751 4.480 0.001 0.000 0.288 407 M C -1.955 174.724 176.300 0.631 0.000 1.097 407 M CA -0.460 55.090 55.300 0.417 0.000 0.928 407 M CB 2.534 35.378 32.600 0.408 0.000 1.648 407 M HN 0.641 nan 8.290 nan 0.000 0.460 408 W N 4.819 126.340 121.300 0.368 0.000 2.715 408 W HA 0.613 5.273 4.660 0.000 0.000 0.331 408 W C -1.399 175.259 176.519 0.232 0.000 1.031 408 W CA -0.384 57.176 57.345 0.358 0.000 1.237 408 W CB 1.166 30.782 29.460 0.261 0.000 1.378 408 W HN 0.474 nan 8.180 nan 0.000 0.454 409 R N 3.809 124.313 120.500 0.007 0.000 2.740 409 R HA 0.635 4.976 4.340 0.001 0.000 0.273 409 R C -0.758 175.278 176.300 -0.439 0.000 0.998 409 R CA -0.749 55.216 56.100 -0.224 0.000 0.900 409 R CB 2.056 31.970 30.300 -0.644 0.000 1.223 409 R HN 0.569 nan 8.270 nan 0.000 0.466 410 T N -1.416 112.952 114.554 -0.311 0.000 2.606 410 T HA 0.291 4.641 4.350 0.001 0.000 0.280 410 T C -1.164 173.495 174.700 -0.069 0.000 1.074 410 T CA -0.254 61.702 62.100 -0.240 0.000 1.140 410 T CB 1.206 69.875 68.868 -0.331 0.000 1.631 410 T HN 0.351 nan 8.240 nan 0.000 0.464 411 S N 1.972 117.671 115.700 -0.002 0.000 2.406 411 S HA 0.469 4.939 4.470 0.001 0.000 0.224 411 S C -1.765 172.900 174.600 0.107 0.000 1.426 411 S CA -1.547 56.695 58.200 0.071 0.000 1.179 411 S CB 1.223 64.479 63.200 0.093 0.000 1.042 411 S HN 0.520 nan 8.310 nan 0.000 0.479 412 P HA -0.023 nan 4.420 nan 0.000 0.220 412 P C 1.085 178.494 177.300 0.182 0.000 1.152 412 P CA 0.413 63.633 63.100 0.201 0.000 0.812 412 P CB 0.343 32.190 31.700 0.245 0.000 0.792 413 L N -2.253 119.069 121.223 0.167 0.000 2.519 413 L HA 0.302 4.643 4.340 0.001 0.000 0.194 413 L C 2.321 179.306 176.870 0.192 0.000 1.072 413 L CA 0.781 55.709 54.840 0.146 0.000 0.845 413 L CB -1.414 40.722 42.059 0.128 0.000 1.138 413 L HN -0.268 nan 8.230 nan 0.000 0.487 414 F N 1.894 121.888 119.950 0.073 0.000 2.259 414 F HA 0.228 4.755 4.527 0.001 0.000 0.298 414 F C 1.534 177.378 175.800 0.074 0.000 1.088 414 F CA 0.690 58.742 58.000 0.087 0.000 1.358 414 F CB -0.354 38.713 39.000 0.111 0.000 1.040 414 F HN 0.240 nan 8.300 nan 0.000 0.505 415 A N 1.073 123.957 122.820 0.106 0.000 2.667 415 A HA -0.236 4.084 4.320 0.001 0.000 0.298 415 A C 0.706 178.236 177.584 -0.090 0.000 1.483 415 A CA 0.936 52.979 52.037 0.009 0.000 0.738 415 A CB -2.667 16.339 19.000 0.011 0.000 1.067 415 A HN 0.508 nan 8.150 nan 0.000 0.451 416 T N 0.506 115.046 114.554 -0.024 0.000 2.832 416 T HA 0.563 4.913 4.350 0.001 0.000 0.296 416 T C 0.661 175.361 174.700 0.000 0.000 0.968 416 T CA -0.103 61.971 62.100 -0.044 0.000 1.107 416 T CB 0.024 68.973 68.868 0.135 0.000 0.916 416 T HN 0.466 nan 8.240 nan 0.000 0.517 417 M N 3.486 123.077 119.600 -0.016 0.000 2.226 417 M HA 0.377 4.857 4.480 0.001 0.000 0.324 417 M C 1.599 177.904 176.300 0.009 0.000 1.112 417 M CA 1.074 56.381 55.300 0.012 0.000 1.176 417 M CB 0.575 33.194 32.600 0.032 0.000 1.430 417 M HN 1.002 nan 8.290 nan 0.000 0.462 418 G N 1.265 110.077 108.800 0.021 0.000 2.141 418 G HA2 -0.246 3.715 3.960 0.001 0.000 0.242 418 G HA3 -0.246 3.715 3.960 0.001 0.000 0.242 418 G C 0.426 175.331 174.900 0.009 0.000 0.982 418 G CA 0.299 45.400 45.100 0.002 0.000 0.662 418 G HN 0.691 nan 8.290 nan 0.000 0.527 419 I N 0.908 121.492 120.570 0.024 0.000 2.761 419 I HA 0.398 4.569 4.170 0.001 0.000 0.261 419 I C 2.687 178.826 176.117 0.038 0.000 1.198 419 I CA 2.038 63.352 61.300 0.025 0.000 1.482 419 I CB -0.245 37.768 38.000 0.022 0.000 1.100 419 I HN 0.404 nan 8.210 nan 0.000 0.445 420 A N 0.863 123.713 122.820 0.049 0.000 1.851 420 A HA -0.218 4.102 4.320 0.001 0.000 0.216 420 A C 2.330 179.966 177.584 0.087 0.000 1.195 420 A CA 2.256 54.337 52.037 0.074 0.000 0.622 420 A CB -1.071 17.979 19.000 0.084 0.000 0.831 420 A HN 0.434 nan 8.150 nan 0.000 0.444 421 I N -0.017 120.604 120.570 0.085 0.000 2.163 421 I HA -0.190 3.980 4.170 0.001 0.000 0.243 421 I C -0.605 175.548 176.117 0.059 0.000 1.085 421 I CA 1.571 62.919 61.300 0.080 0.000 1.347 421 I CB -1.034 37.012 38.000 0.077 0.000 1.044 421 I HN 0.241 nan 8.210 nan 0.000 0.408 422 P HA -0.116 nan 4.420 nan 0.000 0.217 422 P C 1.610 178.938 177.300 0.046 0.000 1.150 422 P CA 1.615 64.721 63.100 0.010 0.000 0.832 422 P CB -0.210 31.477 31.700 -0.022 0.000 0.787 423 G N -0.150 108.713 108.800 0.106 0.000 2.440 423 G HA2 -0.234 3.727 3.960 0.001 0.000 0.218 423 G HA3 -0.234 3.727 3.960 0.001 0.000 0.218 423 G C 1.800 176.825 174.900 0.208 0.000 1.154 423 G CA 0.982 46.237 45.100 0.260 0.000 0.767 423 G HN 0.355 nan 8.290 nan 0.000 0.552 424 G N 0.623 109.479 108.800 0.094 0.000 2.422 424 G HA2 -0.105 3.855 3.960 0.001 0.000 0.218 424 G HA3 -0.105 3.855 3.960 0.001 0.000 0.218 424 G C 1.803 176.710 174.900 0.011 0.000 1.146 424 G CA 0.660 45.765 45.100 0.009 0.000 0.769 424 G HN 0.426 nan 8.290 nan 0.000 0.547 425 L N 0.594 121.849 121.223 0.052 0.000 2.027 425 L HA 0.028 4.369 4.340 0.001 0.000 0.206 425 L C 3.187 180.119 176.870 0.103 0.000 1.074 425 L CA 1.151 56.039 54.840 0.080 0.000 0.745 425 L CB -0.635 41.490 42.059 0.111 0.000 0.898 425 L HN 0.320 nan 8.230 nan 0.000 0.433 426 G N -0.728 108.130 108.800 0.096 0.000 2.422 426 G HA2 -0.230 3.730 3.960 0.001 0.000 0.218 426 G HA3 -0.230 3.730 3.960 0.001 0.000 0.218 426 G C 1.732 176.703 174.900 0.117 0.000 1.146 426 G CA 0.812 45.991 45.100 0.132 0.000 0.769 426 G HN 0.472 nan 8.290 nan 0.000 0.547 427 A N 0.764 123.603 122.820 0.031 0.000 1.855 427 A HA 0.020 4.340 4.320 0.001 0.000 0.215 427 A C 2.234 179.818 177.584 -0.001 0.000 1.191 427 A CA 2.277 54.239 52.037 -0.125 0.000 0.613 427 A CB -0.401 18.233 19.000 -0.610 0.000 0.829 427 A HN 0.301 nan 8.150 nan 0.000 0.442 428 K N 0.580 120.964 120.400 -0.027 0.000 2.147 428 K HA -0.108 4.213 4.320 0.001 0.000 0.205 428 K C 1.835 178.427 176.600 -0.013 0.000 1.049 428 K CA 1.581 57.863 56.287 -0.009 0.000 0.936 428 K CB -0.475 32.014 32.500 -0.020 0.000 0.722 428 K HN 0.645 nan 8.250 nan 0.000 0.446 429 N N -1.119 117.575 118.700 -0.010 0.000 2.188 429 N HA -0.121 4.619 4.740 0.001 0.000 0.184 429 N C 0.844 176.295 175.510 -0.099 0.000 1.018 429 N CA 1.557 54.584 53.050 -0.037 0.000 0.858 429 N CB 0.144 38.640 38.487 0.015 0.000 0.989 429 N HN 0.175 nan 8.380 nan 0.000 0.426 430 T N -0.705 113.750 114.554 -0.166 0.000 2.896 430 T HA -0.027 4.323 4.350 0.001 0.000 0.263 430 T C -0.177 174.121 174.700 -0.670 0.000 1.050 430 T CA 0.998 62.828 62.100 -0.450 0.000 1.140 430 T CB -0.072 68.429 68.868 -0.612 0.000 0.877 430 T HN 0.247 nan 8.240 nan 0.000 0.457 431 Y N 1.124 121.410 120.300 -0.023 0.000 2.748 431 Y HA 0.317 4.868 4.550 0.001 0.000 0.359 431 Y C -1.933 173.941 175.900 -0.044 0.000 1.030 431 Y CA -2.997 55.085 58.100 -0.031 0.000 1.169 431 Y CB 0.969 39.403 38.460 -0.043 0.000 1.127 431 Y HN 0.033 nan 8.280 nan 0.000 0.644 432 P HA -0.164 nan 4.420 nan 0.000 0.219 432 P C 0.171 177.481 177.300 0.016 0.000 1.146 432 P CA 1.604 64.713 63.100 0.015 0.000 0.808 432 P CB 0.573 32.270 31.700 -0.005 0.000 0.779 433 D N -1.051 119.371 120.400 0.036 0.000 2.368 433 D HA 0.071 4.711 4.640 0.001 0.000 0.218 433 D C 0.833 177.140 176.300 0.012 0.000 1.112 433 D CA 0.031 54.041 54.000 0.017 0.000 0.834 433 D CB 0.405 41.217 40.800 0.021 0.000 0.953 433 D HN 0.218 nan 8.370 nan 0.000 0.505 434 R N 1.291 121.805 120.500 0.024 0.000 2.474 434 R HA 0.188 4.528 4.340 0.001 0.000 0.295 434 R C -0.015 176.245 176.300 -0.066 0.000 0.980 434 R CA -0.518 55.573 56.100 -0.015 0.000 0.934 434 R CB 1.302 31.592 30.300 -0.015 0.000 1.101 434 R HN -0.101 nan 8.270 nan 0.000 0.469 435 Q N 2.908 122.658 119.800 -0.083 0.000 2.297 435 Q HA 0.186 4.526 4.340 0.001 0.000 0.267 435 Q C -1.265 174.618 176.000 -0.195 0.000 1.006 435 Q CA -0.118 55.594 55.803 -0.152 0.000 0.896 435 Q CB 0.925 29.612 28.738 -0.085 0.000 1.186 435 Q HN 0.350 nan 8.270 nan 0.000 0.392 436 V N 5.301 125.040 119.914 -0.292 0.000 2.540 436 V HA 0.413 4.533 4.120 0.001 0.000 0.302 436 V C -1.110 174.789 176.094 -0.326 0.000 1.035 436 V CA -0.692 61.459 62.300 -0.248 0.000 0.873 436 V CB 1.104 32.812 31.823 -0.192 0.000 0.992 436 V HN 0.747 nan 8.190 nan 0.000 0.428 437 W N 2.822 123.982 121.300 -0.233 0.000 2.632 437 W HA 0.594 5.255 4.660 0.001 0.000 0.328 437 W C -0.069 176.428 176.519 -0.037 0.000 1.044 437 W CA -0.618 56.654 57.345 -0.122 0.000 1.225 437 W CB 1.190 30.601 29.460 -0.082 0.000 1.396 437 W HN 0.342 nan 8.180 nan 0.000 0.499 438 N N 3.166 121.983 118.700 0.195 0.000 2.443 438 N HA 0.356 5.096 4.740 0.001 0.000 0.269 438 N C -1.125 174.455 175.510 0.117 0.000 0.985 438 N CA -0.504 52.627 53.050 0.135 0.000 0.921 438 N CB 1.385 39.922 38.487 0.083 0.000 1.195 438 N HN 0.173 nan 8.380 nan 0.000 0.492 439 I N 4.292 124.944 120.570 0.136 0.000 2.307 439 I HA 0.443 4.613 4.170 0.001 0.000 0.289 439 I C 0.275 176.445 176.117 0.088 0.000 1.021 439 I CA -0.400 60.957 61.300 0.095 0.000 1.224 439 I CB -0.021 38.119 38.000 0.233 0.000 1.376 439 I HN 0.312 nan 8.210 nan 0.000 0.470 440 I N 4.277 124.844 120.570 -0.005 0.000 2.730 440 I HA 0.614 4.784 4.170 0.001 0.000 0.298 440 I C 0.610 176.789 176.117 0.102 0.000 1.089 440 I CA -0.856 60.477 61.300 0.056 0.000 1.041 440 I CB 2.301 40.319 38.000 0.030 0.000 1.235 440 I HN 0.529 nan 8.210 nan 0.000 0.423 441 G N 1.577 110.496 108.800 0.198 0.000 2.476 441 G HA2 0.246 4.207 3.960 0.001 0.000 0.286 441 G HA3 0.246 4.207 3.960 0.001 0.000 0.286 441 G C 0.436 175.430 174.900 0.157 0.000 1.177 441 G CA -0.334 44.916 45.100 0.250 0.000 0.870 441 G HN 0.820 nan 8.290 nan 0.000 0.528 442 D N 0.455 120.947 120.400 0.153 0.000 2.178 442 D HA -0.091 4.550 4.640 0.001 0.000 0.201 442 D C 2.132 178.506 176.300 0.122 0.000 0.980 442 D CA 1.289 55.355 54.000 0.110 0.000 0.842 442 D CB -0.703 40.263 40.800 0.276 0.000 0.948 442 D HN 0.466 nan 8.370 nan 0.000 0.472 443 G N 0.622 109.511 108.800 0.150 0.000 2.421 443 G HA2 -0.128 3.832 3.960 0.001 0.000 0.216 443 G HA3 -0.128 3.832 3.960 0.001 0.000 0.216 443 G C 1.774 176.773 174.900 0.164 0.000 1.171 443 G CA 1.382 46.527 45.100 0.075 0.000 0.775 443 G HN 0.515 nan 8.290 nan 0.000 0.543 444 A N 0.111 123.040 122.820 0.182 0.000 1.929 444 A HA 0.161 4.482 4.320 0.001 0.000 0.216 444 A C 2.143 179.798 177.584 0.118 0.000 1.176 444 A CA 1.338 53.455 52.037 0.132 0.000 0.628 444 A CB -0.501 18.576 19.000 0.129 0.000 0.816 444 A HN 0.331 nan 8.150 nan 0.000 0.444 445 F N 1.642 121.576 119.950 -0.028 0.000 2.161 445 F HA -0.145 4.382 4.527 0.000 0.000 0.300 445 F C 2.412 178.243 175.800 0.051 0.000 1.089 445 F CA 1.669 59.644 58.000 -0.042 0.000 1.282 445 F CB -0.414 38.459 39.000 -0.211 0.000 1.010 445 F HN 0.195 nan 8.300 nan 0.000 0.485 446 S N 0.001 115.737 115.700 0.059 0.000 2.469 446 S HA -0.156 4.315 4.470 0.001 0.000 0.238 446 S C 1.833 176.261 174.600 -0.287 0.000 0.998 446 S CA 1.287 59.453 58.200 -0.056 0.000 0.957 446 S CB -0.354 62.831 63.200 -0.024 0.000 0.764 446 S HN 0.419 nan 8.310 nan 0.000 0.514 447 M N 0.667 120.150 119.600 -0.196 0.000 2.502 447 M HA 0.056 4.536 4.480 0.001 0.000 0.243 447 M C 1.256 177.373 176.300 -0.306 0.000 1.130 447 M CA 0.788 55.953 55.300 -0.226 0.000 1.055 447 M CB 0.100 32.622 32.600 -0.131 0.000 1.457 447 M HN 0.404 nan 8.290 nan 0.000 0.488 448 T N -4.705 109.648 114.554 -0.336 0.000 3.186 448 T HA 0.057 4.407 4.350 0.001 0.000 0.292 448 T C 1.118 175.611 174.700 -0.345 0.000 0.915 448 T CA -0.461 61.459 62.100 -0.300 0.000 0.902 448 T CB -0.717 68.057 68.868 -0.157 0.000 1.192 448 T HN 0.462 nan 8.240 nan 0.000 0.563 449 Y N 1.348 121.288 120.300 -0.599 0.000 2.483 449 Y HA 0.253 4.803 4.550 0.001 0.000 0.291 449 Y C -1.310 174.395 175.900 -0.325 0.000 1.143 449 Y CA -0.009 57.637 58.100 -0.756 0.000 1.289 449 Y CB -1.799 35.788 38.460 -1.453 0.000 0.983 449 Y HN 0.232 nan 8.280 nan 0.000 0.556 450 P HA -0.098 nan 4.420 nan 0.000 0.226 450 P C 0.790 178.090 177.300 -0.001 0.000 1.153 450 P CA 1.631 64.707 63.100 -0.040 0.000 0.777 450 P CB 0.084 31.716 31.700 -0.112 0.000 0.794 451 D N -1.271 119.114 120.400 -0.024 0.000 2.349 451 D HA -0.001 4.639 4.640 0.001 0.000 0.224 451 D C 1.621 177.950 176.300 0.049 0.000 1.029 451 D CA 0.298 54.310 54.000 0.021 0.000 0.879 451 D CB 0.253 41.061 40.800 0.015 0.000 0.906 451 D HN -0.014 nan 8.370 nan 0.000 0.528 452 V N 0.552 120.500 119.914 0.057 0.000 2.490 452 V HA -0.185 3.936 4.120 0.001 0.000 0.250 452 V C 2.498 178.636 176.094 0.073 0.000 1.061 452 V CA 0.911 63.264 62.300 0.089 0.000 1.064 452 V CB -0.204 31.695 31.823 0.127 0.000 0.670 452 V HN 0.116 nan 8.190 nan 0.000 0.461 453 V N 0.030 119.979 119.914 0.059 0.000 2.594 453 V HA -0.255 3.866 4.120 0.001 0.000 0.253 453 V C 2.429 178.546 176.094 0.038 0.000 1.069 453 V CA 2.678 65.001 62.300 0.039 0.000 1.082 453 V CB -0.385 31.454 31.823 0.027 0.000 0.680 453 V HN 0.706 nan 8.190 nan 0.000 0.469 454 T N 0.578 115.175 114.554 0.072 0.000 2.746 454 T HA -0.177 4.173 4.350 0.001 0.000 0.267 454 T C 1.595 176.396 174.700 0.168 0.000 1.039 454 T CA 2.116 64.296 62.100 0.134 0.000 1.142 454 T CB -0.431 68.532 68.868 0.158 0.000 0.866 454 T HN 0.609 nan 8.240 nan 0.000 0.444 455 N N 0.553 119.323 118.700 0.117 0.000 2.142 455 N HA -0.059 4.682 4.740 0.001 0.000 0.186 455 N C 1.835 177.391 175.510 0.077 0.000 1.023 455 N CA 0.790 53.901 53.050 0.102 0.000 0.852 455 N CB -0.406 38.122 38.487 0.069 0.000 0.998 455 N HN 0.132 nan 8.380 nan 0.000 0.424 456 V N 1.214 121.159 119.914 0.051 0.000 2.237 456 V HA -0.225 3.895 4.120 0.001 0.000 0.245 456 V C 2.532 178.619 176.094 -0.013 0.000 1.046 456 V CA 1.536 63.853 62.300 0.028 0.000 1.007 456 V CB -0.567 31.270 31.823 0.022 0.000 0.638 456 V HN 0.346 nan 8.190 nan 0.000 0.445 457 R N -0.425 120.034 120.500 -0.068 0.000 2.103 457 R HA -0.200 4.140 4.340 0.001 0.000 0.242 457 R C 1.929 178.047 176.300 -0.302 0.000 1.142 457 R CA 2.069 58.040 56.100 -0.215 0.000 0.960 457 R CB -0.493 29.610 30.300 -0.327 0.000 0.858 457 R HN 0.575 nan 8.270 nan 0.000 0.439 458 Y N 1.356 121.648 120.300 -0.014 0.000 2.470 458 Y HA 0.192 4.742 4.550 0.001 0.000 0.284 458 Y C 0.110 175.995 175.900 -0.024 0.000 1.188 458 Y CA -0.405 57.679 58.100 -0.026 0.000 1.269 458 Y CB -0.167 38.267 38.460 -0.043 0.000 1.094 458 Y HN 0.136 nan 8.280 nan 0.000 0.518 459 N N 0.965 119.709 118.700 0.074 0.000 2.667 459 N HA -0.235 4.505 4.740 0.001 0.000 0.263 459 N C -0.721 174.815 175.510 0.042 0.000 1.038 459 N CA 1.029 54.103 53.050 0.039 0.000 0.749 459 N CB -1.253 37.244 38.487 0.017 0.000 0.892 459 N HN 0.452 nan 8.380 nan 0.000 0.546 460 M N 0.105 119.735 119.600 0.050 0.000 2.236 460 M HA 0.216 4.696 4.480 0.001 0.000 0.228 460 M C -2.524 173.778 176.300 0.003 0.000 0.906 460 M CA -1.405 53.911 55.300 0.027 0.000 0.761 460 M CB 1.650 34.279 32.600 0.047 0.000 1.439 460 M HN -0.224 nan 8.290 nan 0.000 0.394 461 P HA 0.052 nan 4.420 nan 0.000 0.262 461 P C -0.710 176.538 177.300 -0.087 0.000 1.199 461 P CA -0.056 63.017 63.100 -0.046 0.000 0.763 461 P CB 0.358 32.017 31.700 -0.068 0.000 0.790 462 V N 1.612 121.472 119.914 -0.090 0.000 3.130 462 V HA 0.603 4.723 4.120 0.001 0.000 0.310 462 V C -0.618 175.364 176.094 -0.186 0.000 1.158 462 V CA -1.141 61.070 62.300 -0.148 0.000 1.029 462 V CB 2.388 34.162 31.823 -0.082 0.000 1.057 462 V HN 0.204 nan 8.190 nan 0.000 0.436 463 I N 2.795 123.186 120.570 -0.298 0.000 2.359 463 I HA 0.413 4.584 4.170 0.001 0.000 0.284 463 I C -0.394 175.641 176.117 -0.137 0.000 1.018 463 I CA -0.364 60.748 61.300 -0.314 0.000 1.173 463 I CB 1.115 38.681 38.000 -0.723 0.000 1.326 463 I HN 0.642 nan 8.210 nan 0.000 0.462 464 N N 6.336 124.984 118.700 -0.087 0.000 2.419 464 N HA 0.279 5.019 4.740 0.001 0.000 0.264 464 N C -0.728 174.679 175.510 -0.171 0.000 1.031 464 N CA -0.259 52.740 53.050 -0.085 0.000 0.951 464 N CB 2.602 41.054 38.487 -0.060 0.000 1.101 464 N HN 0.209 nan 8.380 nan 0.000 0.488 465 V N 3.184 122.978 119.914 -0.200 0.000 2.334 465 V HA 0.241 4.362 4.120 0.001 0.000 0.281 465 V C 0.120 175.863 176.094 -0.585 0.000 1.016 465 V CA -0.720 61.361 62.300 -0.365 0.000 0.832 465 V CB 1.548 33.169 31.823 -0.336 0.000 0.999 465 V HN 0.294 nan 8.190 nan 0.000 0.439 466 V N 5.825 125.360 119.914 -0.633 0.000 2.370 466 V HA 0.446 4.567 4.120 0.001 0.000 0.283 466 V C -0.341 175.458 176.094 -0.492 0.000 1.023 466 V CA -0.423 61.493 62.300 -0.639 0.000 0.857 466 V CB 1.373 32.667 31.823 -0.881 0.000 0.985 466 V HN 0.690 nan 8.190 nan 0.000 0.443 467 F N 2.681 122.535 119.950 -0.160 0.000 2.377 467 F HA 0.284 4.812 4.527 0.001 0.000 0.360 467 F C 1.022 176.753 175.800 -0.115 0.000 1.147 467 F CA -0.131 57.773 58.000 -0.161 0.000 1.170 467 F CB 0.945 39.899 39.000 -0.078 0.000 1.339 467 F HN 0.398 nan 8.300 nan 0.000 0.552 468 S N 2.871 118.613 115.700 0.070 0.000 2.473 468 S HA 0.064 4.535 4.470 0.001 0.000 0.312 468 S C 0.672 175.276 174.600 0.006 0.000 1.087 468 S CA -0.727 57.538 58.200 0.109 0.000 1.077 468 S CB -0.039 63.266 63.200 0.176 0.000 1.065 468 S HN 0.660 nan 8.310 nan 0.000 0.510 469 N N 0.731 119.418 118.700 -0.023 0.000 2.187 469 N HA -0.010 4.730 4.740 0.001 0.000 0.212 469 N C 0.431 175.829 175.510 -0.186 0.000 1.152 469 N CA 0.311 53.291 53.050 -0.117 0.000 0.872 469 N CB -0.463 37.946 38.487 -0.131 0.000 1.025 469 N HN 0.516 nan 8.380 nan 0.000 0.514 470 T N -2.410 112.020 114.554 -0.207 0.000 3.996 470 T HA -0.286 4.064 4.350 0.001 0.000 0.348 470 T C -0.570 173.420 174.700 -1.182 0.000 0.757 470 T CA 1.392 63.134 62.100 -0.596 0.000 1.898 470 T CB -2.696 65.985 68.868 -0.312 0.000 1.861 470 T HN 0.690 nan 8.240 nan 0.000 0.821 471 E N -1.180 118.415 120.200 -1.008 0.000 2.445 471 E HA 0.508 4.858 4.350 0.001 0.000 0.279 471 E C -1.460 174.935 176.600 -0.343 0.000 1.018 471 E CA -1.217 54.755 56.400 -0.714 0.000 0.816 471 E CB 0.740 30.272 29.700 -0.280 0.000 1.356 471 E HN 0.177 nan 8.360 nan 0.000 0.462 472 Y N 0.958 121.282 120.300 0.039 0.000 2.849 472 Y HA 0.313 4.864 4.550 0.001 0.000 0.356 472 Y C 1.229 177.174 175.900 0.075 0.000 1.236 472 Y CA -0.105 58.092 58.100 0.161 0.000 1.508 472 Y CB 0.057 38.606 38.460 0.149 0.000 1.619 472 Y HN 0.809 nan 8.280 nan 0.000 0.513 473 A N 1.121 124.045 122.820 0.173 0.000 1.896 473 A HA -0.319 4.002 4.320 0.001 0.000 0.220 473 A C 1.980 179.673 177.584 0.182 0.000 1.206 473 A CA 2.024 54.152 52.037 0.151 0.000 0.647 473 A CB -1.002 18.108 19.000 0.184 0.000 0.828 473 A HN 0.649 nan 8.150 nan 0.000 0.455 474 F N 0.208 120.215 119.950 0.095 0.000 2.192 474 F HA -0.195 4.333 4.527 0.002 0.000 0.301 474 F C 1.937 177.756 175.800 0.032 0.000 1.079 474 F CA 1.693 59.735 58.000 0.070 0.000 1.303 474 F CB -0.104 38.951 39.000 0.092 0.000 1.024 474 F HN 0.231 nan 8.300 nan 0.000 0.494 475 I N -0.863 119.738 120.570 0.051 0.000 2.385 475 I HA -0.187 3.984 4.170 0.001 0.000 0.244 475 I C 2.406 178.285 176.117 -0.396 0.000 1.089 475 I CA 0.771 61.960 61.300 -0.184 0.000 1.410 475 I CB -0.564 37.282 38.000 -0.257 0.000 1.117 475 I HN -0.081 nan 8.210 nan 0.000 0.429 476 K N 1.693 121.904 120.400 -0.316 0.000 2.063 476 K HA -0.211 4.110 4.320 0.001 0.000 0.208 476 K C 1.742 178.344 176.600 0.004 0.000 1.048 476 K CA 1.989 58.158 56.287 -0.197 0.000 0.928 476 K CB -0.175 32.289 32.500 -0.060 0.000 0.713 476 K HN 0.364 nan 8.250 nan 0.000 0.442 477 N N 0.250 118.948 118.700 -0.004 0.000 2.036 477 N HA -0.217 4.523 4.740 0.001 0.000 0.195 477 N C 1.765 177.295 175.510 0.033 0.000 1.037 477 N CA 1.338 54.404 53.050 0.027 0.000 0.855 477 N CB -0.129 38.357 38.487 -0.002 0.000 1.033 477 N HN 0.055 nan 8.380 nan 0.000 0.423 478 K N 0.582 120.966 120.400 -0.026 0.000 2.211 478 K HA -0.090 4.230 4.320 0.001 0.000 0.203 478 K C 1.419 178.137 176.600 0.197 0.000 1.050 478 K CA 1.000 57.301 56.287 0.023 0.000 0.945 478 K CB -0.341 32.125 32.500 -0.056 0.000 0.732 478 K HN 0.222 nan 8.250 nan 0.000 0.451 479 Y N 1.774 122.090 120.300 0.026 0.000 2.256 479 Y HA -0.149 4.403 4.550 0.002 0.000 0.288 479 Y C 1.605 177.537 175.900 0.053 0.000 1.155 479 Y CA 1.370 59.501 58.100 0.051 0.000 1.203 479 Y CB -0.297 38.206 38.460 0.071 0.000 0.980 479 Y HN 0.311 nan 8.280 nan 0.000 0.530 480 E N -0.539 119.789 120.200 0.213 0.000 2.204 480 E HA -0.171 4.179 4.350 0.001 0.000 0.195 480 E C 1.259 177.926 176.600 0.111 0.000 0.990 480 E CA 1.259 57.743 56.400 0.140 0.000 0.821 480 E CB -0.005 29.770 29.700 0.125 0.000 0.750 480 E HN 0.560 nan 8.360 nan 0.000 0.477 481 D N 0.136 120.603 120.400 0.112 0.000 2.394 481 D HA -0.080 4.560 4.640 0.001 0.000 0.237 481 D C 2.311 178.657 176.300 0.076 0.000 1.028 481 D CA 1.825 55.880 54.000 0.093 0.000 0.937 481 D CB -0.683 40.170 40.800 0.087 0.000 1.072 481 D HN 0.184 nan 8.370 nan 0.000 0.457 482 T N -0.587 114.015 114.554 0.081 0.000 2.833 482 T HA -0.089 4.261 4.350 0.001 0.000 0.269 482 T C 0.798 175.501 174.700 0.004 0.000 1.054 482 T CA 0.558 62.691 62.100 0.055 0.000 1.135 482 T CB -0.344 68.571 68.868 0.078 0.000 0.869 482 T HN -0.124 nan 8.240 nan 0.000 0.466 483 N N 1.176 119.861 118.700 -0.024 0.000 2.438 483 N HA 0.383 5.123 4.740 0.001 0.000 0.282 483 N C -0.112 175.373 175.510 -0.041 0.000 1.037 483 N CA -0.537 52.445 53.050 -0.114 0.000 0.942 483 N CB 1.356 39.635 38.487 -0.346 0.000 1.136 483 N HN 0.280 nan 8.380 nan 0.000 0.481 484 K N 1.186 121.561 120.400 -0.042 0.000 2.708 484 K HA 0.142 4.462 4.320 0.001 0.000 0.219 484 K C -0.106 176.489 176.600 -0.008 0.000 1.068 484 K CA 0.053 56.334 56.287 -0.011 0.000 1.212 484 K CB -0.079 32.415 32.500 -0.010 0.000 0.978 484 K HN 0.493 nan 8.250 nan 0.000 0.475 485 N N -0.991 117.701 118.700 -0.013 0.000 2.560 485 N HA 0.284 5.024 4.740 0.001 0.000 0.209 485 N C -0.766 174.779 175.510 0.059 0.000 1.759 485 N CA -0.149 52.911 53.050 0.018 0.000 1.404 485 N CB 0.343 38.828 38.487 -0.003 0.000 1.675 485 N HN -0.005 nan 8.380 nan 0.000 0.836 486 L N -1.991 119.280 121.223 0.079 0.000 1.886 486 L HA 0.336 4.676 4.340 0.001 0.000 0.207 486 L C -1.529 175.577 176.870 0.395 0.000 1.097 486 L CA 0.486 55.474 54.840 0.246 0.000 1.138 486 L CB -0.813 41.404 42.059 0.264 0.000 1.637 486 L HN 0.598 nan 8.230 nan 0.000 0.355 487 F N 1.052 121.113 119.950 0.185 0.000 2.168 487 F HA 0.299 4.827 4.527 0.001 0.000 0.408 487 F C 0.637 176.570 175.800 0.222 0.000 1.284 487 F CA 1.359 59.456 58.000 0.161 0.000 1.258 487 F CB -0.649 38.411 39.000 0.099 0.000 3.622 487 F HN 1.843 nan 8.300 nan 0.000 0.466 488 G N 3.882 112.178 108.800 -0.839 0.000 2.371 488 G HA2 0.101 4.061 3.960 0.001 0.000 0.299 488 G HA3 0.101 4.061 3.960 0.001 0.000 0.299 488 G C 0.378 175.263 174.900 -0.025 0.000 1.014 488 G CA 0.413 45.194 45.100 -0.530 0.000 1.097 488 G HN 2.177 nan 8.290 nan 0.000 0.512 489 V N -3.721 116.214 119.914 0.034 0.000 3.337 489 V HA 0.434 4.555 4.120 0.001 0.000 0.307 489 V C 0.185 176.328 176.094 0.081 0.000 1.505 489 V CA 0.230 62.618 62.300 0.146 0.000 1.072 489 V CB 0.481 32.327 31.823 0.038 0.000 0.929 489 V HN 0.146 nan 8.190 nan 0.000 0.455 490 D N 1.199 121.588 120.400 -0.017 0.000 2.419 490 D HA 0.814 5.455 4.640 0.001 0.000 0.234 490 D C -0.740 175.503 176.300 -0.094 0.000 1.014 490 D CA -0.122 53.740 54.000 -0.229 0.000 0.919 490 D CB 2.331 43.024 40.800 -0.178 0.000 1.366 490 D HN 0.314 nan 8.370 nan 0.000 0.490 491 F N -2.562 117.364 119.950 -0.040 0.000 2.754 491 F HA 0.642 5.169 4.527 0.000 0.000 0.320 491 F C -0.199 175.587 175.800 -0.022 0.000 1.156 491 F CA -1.322 56.665 58.000 -0.021 0.000 0.950 491 F CB 0.217 39.205 39.000 -0.020 0.000 1.388 491 F HN 0.193 nan 8.300 nan 0.000 0.485 492 T N -1.291 113.445 114.554 0.304 0.000 2.904 492 T HA 0.349 4.700 4.350 0.001 0.000 0.290 492 T C -0.725 174.105 174.700 0.217 0.000 1.018 492 T CA -0.491 61.707 62.100 0.164 0.000 1.075 492 T CB 1.245 70.169 68.868 0.093 0.000 0.986 492 T HN 0.687 nan 8.240 nan 0.000 0.523 493 D N 0.710 121.163 120.400 0.090 0.000 2.256 493 D HA 0.406 5.046 4.640 0.001 0.000 0.250 493 D C -0.204 176.043 176.300 -0.088 0.000 1.093 493 D CA -0.432 53.594 54.000 0.042 0.000 0.882 493 D CB 1.322 42.118 40.800 -0.006 0.000 1.185 493 D HN 0.648 nan 8.370 nan 0.000 0.437 494 V N 1.186 120.926 119.914 -0.289 0.000 2.960 494 V HA 0.469 4.590 4.120 0.001 0.000 0.315 494 V C -0.352 175.342 176.094 -0.667 0.000 1.087 494 V CA -0.899 61.143 62.300 -0.430 0.000 0.982 494 V CB 2.039 33.623 31.823 -0.399 0.000 1.039 494 V HN 0.435 nan 8.190 nan 0.000 0.437 495 D N 2.321 122.469 120.400 -0.420 0.000 2.498 495 D HA 0.194 4.835 4.640 0.001 0.000 0.229 495 D C 0.699 176.812 176.300 -0.311 0.000 1.188 495 D CA 0.255 54.066 54.000 -0.314 0.000 1.028 495 D CB -0.167 40.528 40.800 -0.175 0.000 1.087 495 D HN 0.682 nan 8.370 nan 0.000 0.510 496 Y N 1.520 121.774 120.300 -0.078 0.000 2.274 496 Y HA -0.194 4.357 4.550 0.001 0.000 0.290 496 Y C 2.468 178.324 175.900 -0.074 0.000 1.145 496 Y CA 0.830 58.881 58.100 -0.082 0.000 1.203 496 Y CB -0.046 38.394 38.460 -0.033 0.000 0.984 496 Y HN 0.467 nan 8.280 nan 0.000 0.533 497 A N 0.452 123.294 122.820 0.037 0.000 1.902 497 A HA -0.233 4.087 4.320 0.001 0.000 0.217 497 A C 2.178 179.731 177.584 -0.052 0.000 1.181 497 A CA 1.864 53.892 52.037 -0.014 0.000 0.623 497 A CB -0.558 18.415 19.000 -0.045 0.000 0.818 497 A HN 0.422 nan 8.150 nan 0.000 0.443 498 K N -0.346 120.012 120.400 -0.069 0.000 2.148 498 K HA -0.013 4.308 4.320 0.001 0.000 0.204 498 K C 1.746 178.311 176.600 -0.059 0.000 1.050 498 K CA 1.193 57.435 56.287 -0.076 0.000 0.942 498 K CB -0.263 32.187 32.500 -0.084 0.000 0.724 498 K HN 0.525 nan 8.250 nan 0.000 0.446 499 I N 0.854 121.390 120.570 -0.057 0.000 2.252 499 I HA -0.234 3.937 4.170 0.001 0.000 0.245 499 I C 2.445 178.555 176.117 -0.011 0.000 1.102 499 I CA 1.074 62.343 61.300 -0.051 0.000 1.385 499 I CB -0.377 37.536 38.000 -0.145 0.000 1.064 499 I HN 0.222 nan 8.210 nan 0.000 0.414 500 A N 0.509 123.336 122.820 0.013 0.000 1.908 500 A HA -0.204 4.116 4.320 0.001 0.000 0.218 500 A C 2.228 179.803 177.584 -0.016 0.000 1.181 500 A CA 1.526 53.580 52.037 0.028 0.000 0.627 500 A CB -0.429 18.596 19.000 0.042 0.000 0.818 500 A HN 0.352 nan 8.150 nan 0.000 0.445 501 E N -0.076 120.094 120.200 -0.050 0.000 2.077 501 E HA -0.137 4.213 4.350 0.001 0.000 0.193 501 E C 2.280 178.850 176.600 -0.051 0.000 0.989 501 E CA 1.222 57.577 56.400 -0.074 0.000 0.800 501 E CB -0.584 29.058 29.700 -0.097 0.000 0.746 501 E HN 0.592 nan 8.360 nan 0.000 0.452 502 A N 1.045 123.845 122.820 -0.034 0.000 2.070 502 A HA -0.182 4.139 4.320 0.001 0.000 0.220 502 A C 1.887 179.466 177.584 -0.008 0.000 1.159 502 A CA 1.136 53.161 52.037 -0.021 0.000 0.656 502 A CB -0.296 18.697 19.000 -0.011 0.000 0.800 502 A HN 0.206 nan 8.150 nan 0.000 0.453 503 Q N -1.815 117.985 119.800 -0.000 0.000 2.360 503 Q HA 0.307 4.647 4.340 0.001 0.000 0.202 503 Q C 1.012 177.013 176.000 0.001 0.000 0.915 503 Q CA 0.332 56.142 55.803 0.012 0.000 0.943 503 Q CB 0.357 29.117 28.738 0.036 0.000 1.064 503 Q HN 0.819 nan 8.270 nan 0.000 0.511 504 G N 0.363 109.153 108.800 -0.017 0.000 2.157 504 G HA2 -0.244 3.717 3.960 0.001 0.000 0.239 504 G HA3 -0.244 3.717 3.960 0.001 0.000 0.239 504 G C 0.134 175.020 174.900 -0.024 0.000 0.982 504 G CA -0.005 45.081 45.100 -0.023 0.000 0.650 504 G HN 0.499 nan 8.290 nan 0.000 0.527 505 A N -0.688 122.118 122.820 -0.023 0.000 2.261 505 A HA 0.889 5.209 4.320 0.001 0.000 0.323 505 A C 0.162 177.697 177.584 -0.081 0.000 1.107 505 A CA 0.013 52.039 52.037 -0.018 0.000 0.883 505 A CB 1.120 20.135 19.000 0.026 0.000 1.251 505 A HN 0.782 nan 8.150 nan 0.000 0.502 506 K N 0.239 120.591 120.400 -0.079 0.000 2.240 506 K HA 0.557 4.877 4.320 0.001 0.000 0.271 506 K C -0.033 176.486 176.600 -0.135 0.000 1.018 506 K CA 0.265 56.453 56.287 -0.165 0.000 0.874 506 K CB 0.850 33.269 32.500 -0.136 0.000 1.098 506 K HN 0.847 nan 8.250 nan 0.000 0.458 507 G N 3.269 111.905 108.800 -0.273 0.000 2.400 507 G HA2 0.686 4.647 3.960 0.001 0.000 0.333 507 G HA3 0.686 4.647 3.960 0.001 0.000 0.333 507 G C -1.385 173.255 174.900 -0.434 0.000 1.143 507 G CA -0.522 44.461 45.100 -0.196 0.000 0.914 507 G HN 0.438 nan 8.290 nan 0.000 0.480 508 F N -0.432 119.474 119.950 -0.073 0.000 2.588 508 F HA 0.647 5.175 4.527 0.001 0.000 0.314 508 F C 0.303 176.058 175.800 -0.075 0.000 1.069 508 F CA -0.648 57.307 58.000 -0.074 0.000 0.931 508 F CB 3.058 42.008 39.000 -0.082 0.000 1.260 508 F HN 0.340 nan 8.300 nan 0.000 0.465 509 T N 1.931 116.555 114.554 0.117 0.000 2.881 509 T HA 0.642 4.992 4.350 0.001 0.000 0.290 509 T C -1.624 173.095 174.700 0.030 0.000 1.000 509 T CA -0.686 61.436 62.100 0.038 0.000 0.978 509 T CB 1.858 70.722 68.868 -0.006 0.000 0.997 509 T HN 0.529 nan 8.240 nan 0.000 0.443 510 V N 2.714 122.626 119.914 -0.003 0.000 2.851 510 V HA 0.717 4.837 4.120 0.001 0.000 0.307 510 V C -0.057 176.015 176.094 -0.037 0.000 1.129 510 V CA -0.223 62.065 62.300 -0.020 0.000 0.932 510 V CB 2.348 34.150 31.823 -0.035 0.000 1.024 510 V HN 1.021 nan 8.190 nan 0.000 0.426 511 S N 5.183 120.861 115.700 -0.037 0.000 2.817 511 S HA 0.483 4.953 4.470 0.001 0.000 0.262 511 S C 0.251 174.823 174.600 -0.046 0.000 1.051 511 S CA -0.562 57.610 58.200 -0.046 0.000 1.185 511 S CB 0.356 63.530 63.200 -0.042 0.000 1.152 511 S HN 0.619 nan 8.310 nan 0.000 0.653 512 R N 0.769 121.245 120.500 -0.040 0.000 2.599 512 R HA 0.549 4.890 4.340 0.001 0.000 0.295 512 R C 0.680 176.959 176.300 -0.036 0.000 0.963 512 R CA -0.696 55.382 56.100 -0.036 0.000 0.883 512 R CB 1.122 31.405 30.300 -0.028 0.000 1.171 512 R HN 0.150 nan 8.270 nan 0.000 0.450 513 I N 1.803 122.353 120.570 -0.034 0.000 2.264 513 I HA -0.300 3.871 4.170 0.001 0.000 0.248 513 I C 2.149 178.251 176.117 -0.025 0.000 1.111 513 I CA 1.494 62.776 61.300 -0.030 0.000 1.382 513 I CB -0.037 37.949 38.000 -0.025 0.000 1.060 513 I HN 0.604 nan 8.210 nan 0.000 0.418 514 E N 0.412 120.599 120.200 -0.022 0.000 2.515 514 E HA -0.190 4.160 4.350 0.001 0.000 0.201 514 E C 0.456 177.046 176.600 -0.017 0.000 1.071 514 E CA 0.966 57.356 56.400 -0.017 0.000 0.880 514 E CB -0.273 29.419 29.700 -0.014 0.000 0.828 514 E HN 0.549 nan 8.360 nan 0.000 0.540 515 D N -0.036 120.350 120.400 -0.023 0.000 2.449 515 D HA 0.058 4.699 4.640 0.001 0.000 0.210 515 D C 1.618 177.894 176.300 -0.040 0.000 1.094 515 D CA -0.041 53.945 54.000 -0.024 0.000 0.846 515 D CB -0.006 40.782 40.800 -0.020 0.000 1.003 515 D HN 0.079 nan 8.370 nan 0.000 0.504 516 M N 1.530 121.103 119.600 -0.046 0.000 2.106 516 M HA -0.184 4.296 4.480 0.001 0.000 0.259 516 M C 1.449 177.696 176.300 -0.088 0.000 1.068 516 M CA 1.657 56.917 55.300 -0.067 0.000 1.100 516 M CB -0.310 32.257 32.600 -0.056 0.000 1.351 516 M HN -0.127 nan 8.290 nan 0.000 0.404 517 D N -1.099 119.271 120.400 -0.050 0.000 2.117 517 D HA -0.195 4.445 4.640 0.001 0.000 0.197 517 D C 2.169 178.407 176.300 -0.104 0.000 0.987 517 D CA 1.426 55.406 54.000 -0.034 0.000 0.829 517 D CB -0.114 40.720 40.800 0.057 0.000 0.961 517 D HN 0.391 nan 8.370 nan 0.000 0.460 518 R N -0.201 120.259 120.500 -0.066 0.000 2.075 518 R HA -0.087 4.254 4.340 0.001 0.000 0.232 518 R C 2.091 178.313 176.300 -0.131 0.000 1.126 518 R CA 1.093 57.153 56.100 -0.066 0.000 0.963 518 R CB -0.256 30.030 30.300 -0.023 0.000 0.858 518 R HN 0.115 nan 8.270 nan 0.000 0.435 519 V N 1.264 121.093 119.914 -0.142 0.000 2.343 519 V HA -0.279 3.841 4.120 0.001 0.000 0.247 519 V C 2.404 178.253 176.094 -0.409 0.000 1.051 519 V CA 1.946 64.116 62.300 -0.216 0.000 1.036 519 V CB -0.433 31.303 31.823 -0.144 0.000 0.654 519 V HN 0.402 nan 8.190 nan 0.000 0.451 520 M N 0.692 120.072 119.600 -0.367 0.000 2.117 520 M HA -0.055 4.425 4.480 0.001 0.000 0.262 520 M C 2.062 178.056 176.300 -0.510 0.000 1.065 520 M CA 2.075 57.119 55.300 -0.426 0.000 1.114 520 M CB -0.842 31.513 32.600 -0.408 0.000 1.361 520 M HN 0.260 nan 8.290 nan 0.000 0.408 521 A N -0.283 122.203 122.820 -0.557 0.000 1.865 521 A HA -0.227 4.093 4.320 0.001 0.000 0.217 521 A C 2.080 179.553 177.584 -0.185 0.000 1.191 521 A CA 2.178 54.026 52.037 -0.315 0.000 0.623 521 A CB -0.991 17.950 19.000 -0.097 0.000 0.826 521 A HN 0.668 nan 8.150 nan 0.000 0.444 522 E N -0.496 119.577 120.200 -0.211 0.000 2.150 522 E HA -0.070 4.281 4.350 0.001 0.000 0.193 522 E C 2.278 178.705 176.600 -0.288 0.000 0.985 522 E CA 0.820 57.137 56.400 -0.140 0.000 0.814 522 E CB -0.255 29.441 29.700 -0.008 0.000 0.752 522 E HN 0.634 nan 8.360 nan 0.000 0.466 523 A N 0.779 123.183 122.820 -0.694 0.000 1.898 523 A HA -0.123 4.198 4.320 0.001 0.000 0.216 523 A C 2.468 179.874 177.584 -0.296 0.000 1.181 523 A CA 1.027 52.619 52.037 -0.742 0.000 0.620 523 A CB -0.536 17.964 19.000 -0.834 0.000 0.819 523 A HN 0.110 nan 8.150 nan 0.000 0.442 524 V N -0.043 119.725 119.914 -0.243 0.000 2.358 524 V HA -0.222 3.898 4.120 0.001 0.000 0.246 524 V C 3.038 179.083 176.094 -0.082 0.000 1.047 524 V CA 1.820 64.026 62.300 -0.157 0.000 1.035 524 V CB -1.252 30.547 31.823 -0.041 0.000 0.658 524 V HN 0.600 nan 8.190 nan 0.000 0.452 525 A N 0.097 122.891 122.820 -0.044 0.000 1.933 525 A HA -0.128 4.193 4.320 0.001 0.000 0.218 525 A C 2.414 180.015 177.584 0.028 0.000 1.175 525 A CA 2.115 54.154 52.037 0.003 0.000 0.628 525 A CB -0.707 18.307 19.000 0.023 0.000 0.814 525 A HN 0.570 nan 8.150 nan 0.000 0.444 526 A N -0.020 122.837 122.820 0.062 0.000 1.898 526 A HA -0.194 4.126 4.320 0.001 0.000 0.216 526 A C 2.061 179.704 177.584 0.098 0.000 1.181 526 A CA 1.597 53.728 52.037 0.157 0.000 0.620 526 A CB -0.723 18.432 19.000 0.258 0.000 0.819 526 A HN 0.679 nan 8.150 nan 0.000 0.442 527 N N -0.160 118.536 118.700 -0.006 0.000 2.166 527 N HA -0.156 4.584 4.740 0.001 0.000 0.186 527 N C 1.466 176.925 175.510 -0.085 0.000 1.019 527 N CA 1.381 54.387 53.050 -0.074 0.000 0.856 527 N CB -0.131 38.238 38.487 -0.197 0.000 0.993 527 N HN 0.487 nan 8.380 nan 0.000 0.426 528 K N 0.067 120.426 120.400 -0.068 0.000 2.439 528 K HA 0.052 4.372 4.320 0.001 0.000 0.197 528 K C 1.344 177.903 176.600 -0.069 0.000 1.041 528 K CA 0.543 56.793 56.287 -0.062 0.000 0.970 528 K CB 0.154 32.633 32.500 -0.037 0.000 0.773 528 K HN 0.173 nan 8.250 nan 0.000 0.479 529 A N 0.297 123.073 122.820 -0.075 0.000 2.307 529 A HA 0.260 4.580 4.320 0.001 0.000 0.218 529 A C 1.267 178.649 177.584 -0.338 0.000 1.228 529 A CA 0.563 52.519 52.037 -0.135 0.000 0.857 529 A CB -0.235 18.746 19.000 -0.032 0.000 0.897 529 A HN 0.353 nan 8.150 nan 0.000 0.495 530 G N -0.976 107.673 108.800 -0.252 0.000 2.157 530 G HA2 -0.206 3.754 3.960 0.001 0.000 0.248 530 G HA3 -0.206 3.754 3.960 0.001 0.000 0.248 530 G C 0.032 174.771 174.900 -0.269 0.000 0.979 530 G CA 0.258 45.202 45.100 -0.261 0.000 0.650 530 G HN 0.657 nan 8.290 nan 0.000 0.529 531 H N 0.476 119.530 119.070 -0.026 0.000 2.472 531 H HA 0.536 5.092 4.556 0.001 0.000 0.335 531 H C 0.237 175.548 175.328 -0.029 0.000 1.136 531 H CA 0.269 56.306 56.048 -0.019 0.000 1.264 531 H CB 1.180 30.939 29.762 -0.004 0.000 1.486 531 H HN 0.092 nan 8.280 nan 0.000 0.517 532 T N 2.631 117.258 114.554 0.122 0.000 2.869 532 T HA 0.315 4.666 4.350 0.001 0.000 0.295 532 T C 0.285 175.022 174.700 0.062 0.000 0.987 532 T CA -0.480 61.651 62.100 0.051 0.000 1.109 532 T CB 0.560 69.457 68.868 0.049 0.000 0.932 532 T HN 0.181 nan 8.240 nan 0.000 0.518 533 V N 3.528 123.459 119.914 0.027 0.000 2.769 533 V HA 0.586 4.707 4.120 0.001 0.000 0.312 533 V C -0.450 175.666 176.094 0.037 0.000 1.061 533 V CA -0.752 61.587 62.300 0.066 0.000 0.931 533 V CB 2.272 34.128 31.823 0.056 0.000 1.010 533 V HN 0.642 nan 8.190 nan 0.000 0.433 534 V N 5.125 125.086 119.914 0.079 0.000 2.409 534 V HA 0.476 4.596 4.120 0.001 0.000 0.290 534 V C -0.420 175.696 176.094 0.036 0.000 1.017 534 V CA -0.266 62.036 62.300 0.004 0.000 0.841 534 V CB 1.599 33.440 31.823 0.029 0.000 1.003 534 V HN 0.678 nan 8.190 nan 0.000 0.426 535 I N 3.688 124.217 120.570 -0.068 0.000 2.306 535 I HA 0.305 4.476 4.170 0.001 0.000 0.288 535 I C -0.125 175.904 176.117 -0.146 0.000 1.036 535 I CA -0.269 60.995 61.300 -0.059 0.000 1.221 535 I CB 1.118 39.029 38.000 -0.148 0.000 1.385 535 I HN 0.486 nan 8.210 nan 0.000 0.472 536 D N 6.722 127.085 120.400 -0.062 0.000 2.402 536 D HA 0.134 4.774 4.640 0.001 0.000 0.235 536 D C -0.623 175.639 176.300 -0.063 0.000 1.226 536 D CA -0.249 53.718 54.000 -0.056 0.000 0.918 536 D CB 0.517 41.342 40.800 0.043 0.000 1.043 536 D HN 0.420 nan 8.370 nan 0.000 0.506 537 C N 6.115 125.341 119.300 -0.124 0.000 2.289 537 C HA 0.239 4.700 4.460 0.001 0.000 0.340 537 C C 0.491 175.451 174.990 -0.049 0.000 1.152 537 C CA -1.130 57.831 59.018 -0.094 0.000 1.650 537 C CB -0.601 27.059 27.740 -0.132 0.000 2.203 537 C HN 0.263 nan 8.230 nan 0.000 0.511 538 K N 4.790 125.163 120.400 -0.046 0.000 2.167 538 K HA 0.268 4.589 4.320 0.001 0.000 0.275 538 K C 0.280 176.828 176.600 -0.088 0.000 1.103 538 K CA 0.372 56.629 56.287 -0.049 0.000 0.963 538 K CB -0.006 32.468 32.500 -0.043 0.000 1.243 538 K HN 0.795 nan 8.250 nan 0.000 0.407 539 I N -1.523 118.967 120.570 -0.133 0.000 3.062 539 I HA 0.387 4.557 4.170 0.001 0.000 0.318 539 I C 0.898 176.894 176.117 -0.203 0.000 1.026 539 I CA -0.935 60.234 61.300 -0.219 0.000 1.096 539 I CB 0.962 38.706 38.000 -0.428 0.000 1.348 539 I HN 0.297 nan 8.210 nan 0.000 0.543 540 T N -0.395 114.032 114.554 -0.211 0.000 2.732 540 T HA 0.211 4.561 4.350 0.001 0.000 0.287 540 T C 0.417 175.021 174.700 -0.159 0.000 0.993 540 T CA -0.333 61.678 62.100 -0.149 0.000 0.966 540 T CB 0.842 69.645 68.868 -0.108 0.000 1.047 540 T HN 0.757 nan 8.240 nan 0.000 0.527 541 Q N -0.004 119.738 119.800 -0.096 0.000 2.204 541 Q HA 0.131 4.471 4.340 0.001 0.000 0.209 541 Q C -0.550 175.445 176.000 -0.008 0.000 0.861 541 Q CA -0.396 55.369 55.803 -0.064 0.000 0.971 541 Q CB 0.244 28.948 28.738 -0.057 0.000 1.095 541 Q HN 0.603 nan 8.270 nan 0.000 0.486 542 D N 2.156 122.551 120.400 -0.008 0.000 2.487 542 D HA -0.041 4.599 4.640 0.001 0.000 0.243 542 D C 0.074 176.462 176.300 0.147 0.000 1.154 542 D CA 0.542 54.577 54.000 0.059 0.000 0.876 542 D CB 0.584 41.429 40.800 0.074 0.000 1.161 542 D HN 0.131 nan 8.370 nan 0.000 0.478 543 R N 3.556 124.171 120.500 0.192 0.000 2.340 543 R HA 0.231 4.572 4.340 0.001 0.000 0.300 543 R C -2.413 174.088 176.300 0.336 0.000 1.069 543 R CA -1.254 55.000 56.100 0.257 0.000 0.984 543 R CB 0.521 30.989 30.300 0.280 0.000 1.003 543 R HN 0.081 nan 8.270 nan 0.000 0.459 544 P HA -0.045 nan 4.420 nan 0.000 0.269 544 P C -0.194 177.125 177.300 0.033 0.000 1.209 544 P CA -0.078 63.145 63.100 0.205 0.000 0.776 544 P CB 0.461 32.204 31.700 0.071 0.000 0.876 545 I N 4.861 125.428 120.570 -0.005 0.000 2.741 545 I HA 0.016 4.187 4.170 0.001 0.000 0.288 545 I C -1.858 174.052 176.117 -0.345 0.000 1.192 545 I CA -1.594 59.425 61.300 -0.468 0.000 1.426 545 I CB 0.539 38.465 38.000 -0.125 0.000 1.367 545 I HN 0.217 nan 8.210 nan 0.000 0.563 546 P HA 0.033 nan 4.420 nan 0.000 0.251 546 P C 0.689 177.931 177.300 -0.097 0.000 1.718 546 P CA -0.242 62.719 63.100 -0.232 0.000 1.119 546 P CB 0.730 32.311 31.700 -0.199 0.000 1.762 547 V N 1.287 121.151 119.914 -0.085 0.000 3.444 547 V HA -0.115 4.005 4.120 0.001 0.000 0.271 547 V C 1.720 177.760 176.094 -0.090 0.000 1.188 547 V CA 1.211 63.468 62.300 -0.071 0.000 1.168 547 V CB -1.153 30.597 31.823 -0.122 0.000 0.810 547 V HN 0.364 nan 8.190 nan 0.000 0.500 548 E N 2.456 122.576 120.200 -0.133 0.000 2.481 548 E HA -0.032 4.318 4.350 0.001 0.000 0.195 548 E C 0.917 177.506 176.600 -0.018 0.000 1.047 548 E CA 1.048 57.381 56.400 -0.111 0.000 0.867 548 E CB -0.219 29.276 29.700 -0.342 0.000 0.858 548 E HN 0.786 nan 8.360 nan 0.000 0.513 549 T N -0.618 113.916 114.554 -0.032 0.000 3.418 549 T HA 0.466 4.817 4.350 0.001 0.000 0.315 549 T C -0.185 174.399 174.700 -0.192 0.000 1.447 549 T CA -0.610 61.474 62.100 -0.026 0.000 1.641 549 T CB -0.512 68.368 68.868 0.020 0.000 0.904 549 T HN 0.005 nan 8.240 nan 0.000 0.640 550 L N 2.608 123.700 121.223 -0.218 0.000 2.407 550 L HA 0.355 4.695 4.340 0.001 0.000 0.282 550 L C 0.610 176.968 176.870 -0.853 0.000 1.110 550 L CA -0.203 54.385 54.840 -0.420 0.000 0.863 550 L CB 0.346 42.316 42.059 -0.149 0.000 1.207 550 L HN 0.415 nan 8.230 nan 0.000 0.454 551 K N 5.748 125.196 120.400 -1.588 0.000 2.319 551 K HA 0.315 4.635 4.320 0.001 0.000 0.237 551 K C 0.285 176.386 176.600 -0.833 0.000 1.113 551 K CA -0.060 55.241 56.287 -1.644 0.000 1.072 551 K CB 0.649 32.283 32.500 -1.443 0.000 1.734 551 K HN 0.619 nan 8.250 nan 0.000 0.429 552 L N -0.648 120.323 121.223 -0.420 0.000 2.953 552 L HA 0.141 4.482 4.340 0.001 0.000 0.258 552 L C 0.390 177.252 176.870 -0.013 0.000 1.100 552 L CA -0.134 54.627 54.840 -0.132 0.000 0.971 552 L CB 0.594 42.612 42.059 -0.067 0.000 1.474 552 L HN 0.393 nan 8.230 nan 0.000 0.540 553 D N 0.940 121.375 120.400 0.057 0.000 2.325 553 D HA 0.034 4.675 4.640 0.001 0.000 0.251 553 D C 1.188 177.546 176.300 0.096 0.000 1.196 553 D CA 0.257 54.300 54.000 0.072 0.000 0.866 553 D CB 1.680 42.526 40.800 0.077 0.000 1.101 553 D HN 0.113 nan 8.370 nan 0.000 0.476 554 S N 3.421 119.144 115.700 0.039 0.000 2.500 554 S HA -0.130 4.341 4.470 0.001 0.000 0.239 554 S C 1.254 175.859 174.600 0.008 0.000 0.989 554 S CA 0.739 58.958 58.200 0.032 0.000 0.951 554 S CB 0.031 63.235 63.200 0.007 0.000 0.759 554 S HN 0.470 nan 8.310 nan 0.000 0.523 555 K N 0.184 120.575 120.400 -0.015 0.000 2.404 555 K HA 0.378 4.699 4.320 0.001 0.000 0.194 555 K C 0.908 177.456 176.600 -0.086 0.000 1.023 555 K CA 0.095 56.351 56.287 -0.052 0.000 1.094 555 K CB 0.106 32.561 32.500 -0.074 0.000 0.841 555 K HN 0.411 nan 8.250 nan 0.000 0.523 556 L N -1.106 120.071 121.223 -0.078 0.000 2.766 556 L HA 0.237 4.578 4.340 0.001 0.000 0.241 556 L C -0.298 176.227 176.870 -0.576 0.000 1.080 556 L CA -0.072 54.603 54.840 -0.274 0.000 0.909 556 L CB 0.530 42.483 42.059 -0.178 0.000 1.277 556 L HN -0.020 nan 8.230 nan 0.000 0.510 557 Y N -0.397 119.882 120.300 -0.035 0.000 2.581 557 Y HA 0.380 4.931 4.550 0.002 0.000 0.345 557 Y C 0.523 176.410 175.900 -0.021 0.000 1.036 557 Y CA -1.332 56.749 58.100 -0.031 0.000 1.042 557 Y CB 1.584 40.011 38.460 -0.054 0.000 1.289 557 Y HN -0.131 nan 8.280 nan 0.000 0.471 558 S N -0.086 115.699 115.700 0.141 0.000 2.593 558 S HA 0.079 4.549 4.470 0.001 0.000 0.269 558 S C 0.948 175.597 174.600 0.082 0.000 1.334 558 S CA -0.028 58.220 58.200 0.080 0.000 1.015 558 S CB 0.909 64.147 63.200 0.063 0.000 0.912 558 S HN 0.872 nan 8.310 nan 0.000 0.541 559 E N 1.077 121.309 120.200 0.052 0.000 2.085 559 E HA -0.256 4.094 4.350 0.001 0.000 0.194 559 E C 0.804 177.433 176.600 0.048 0.000 0.994 559 E CA 1.487 57.913 56.400 0.044 0.000 0.801 559 E CB -0.510 29.208 29.700 0.029 0.000 0.743 559 E HN 0.714 nan 8.360 nan 0.000 0.453 560 D N 1.371 121.800 120.400 0.048 0.000 2.104 560 D HA -0.172 4.468 4.640 0.001 0.000 0.194 560 D C 1.907 178.245 176.300 0.062 0.000 0.994 560 D CA 1.405 55.434 54.000 0.048 0.000 0.830 560 D CB -0.147 40.680 40.800 0.044 0.000 0.959 560 D HN 0.409 nan 8.370 nan 0.000 0.452 561 E N 0.340 120.588 120.200 0.079 0.000 2.051 561 E HA -0.125 4.225 4.350 0.001 0.000 0.192 561 E C 2.453 179.099 176.600 0.076 0.000 0.991 561 E CA 0.503 56.957 56.400 0.091 0.000 0.799 561 E CB -0.046 29.735 29.700 0.133 0.000 0.748 561 E HN 0.309 nan 8.360 nan 0.000 0.449 562 I N 1.241 121.845 120.570 0.056 0.000 2.208 562 I HA -0.305 3.865 4.170 0.001 0.000 0.245 562 I C 2.649 178.824 176.117 0.097 0.000 1.097 562 I CA 1.179 62.506 61.300 0.046 0.000 1.363 562 I CB -0.295 37.724 38.000 0.032 0.000 1.051 562 I HN 0.058 nan 8.210 nan 0.000 0.413 563 K N 1.439 121.881 120.400 0.071 0.000 2.032 563 K HA -0.222 4.099 4.320 0.001 0.000 0.209 563 K C 2.229 178.867 176.600 0.062 0.000 1.048 563 K CA 1.738 58.060 56.287 0.058 0.000 0.927 563 K CB -0.159 32.364 32.500 0.039 0.000 0.712 563 K HN 0.292 nan 8.250 nan 0.000 0.441 564 A N 0.198 123.059 122.820 0.068 0.000 1.933 564 A HA -0.196 4.125 4.320 0.001 0.000 0.218 564 A C 2.077 179.696 177.584 0.060 0.000 1.175 564 A CA 1.444 53.510 52.037 0.048 0.000 0.628 564 A CB -0.882 18.151 19.000 0.055 0.000 0.814 564 A HN 0.601 nan 8.150 nan 0.000 0.444 565 Y N 0.574 120.875 120.300 0.000 0.000 2.163 565 Y HA -0.191 4.360 4.550 0.001 0.000 0.288 565 Y C 2.360 178.306 175.900 0.077 0.000 1.136 565 Y CA 2.265 60.406 58.100 0.069 0.000 1.147 565 Y CB -0.128 38.363 38.460 0.051 0.000 0.987 565 Y HN 0.237 nan 8.280 nan 0.000 0.509 566 K N -0.254 120.258 120.400 0.187 0.000 2.063 566 K HA -0.257 4.063 4.320 0.001 0.000 0.208 566 K C 2.019 178.617 176.600 -0.003 0.000 1.048 566 K CA 1.735 58.075 56.287 0.087 0.000 0.928 566 K CB -0.221 32.331 32.500 0.086 0.000 0.713 566 K HN 0.264 nan 8.250 nan 0.000 0.442 567 E N 1.482 121.668 120.200 -0.024 0.000 2.031 567 E HA -0.211 4.139 4.350 0.001 0.000 0.193 567 E C 2.001 178.514 176.600 -0.144 0.000 0.994 567 E CA 1.536 57.900 56.400 -0.060 0.000 0.800 567 E CB -0.086 29.586 29.700 -0.047 0.000 0.752 567 E HN 0.136 nan 8.360 nan 0.000 0.447 568 R N -1.359 118.972 120.500 -0.282 0.000 2.096 568 R HA -0.132 4.208 4.340 0.001 0.000 0.235 568 R C 0.990 176.912 176.300 -0.630 0.000 1.127 568 R CA 1.477 57.261 56.100 -0.525 0.000 0.968 568 R CB -0.182 29.623 30.300 -0.824 0.000 0.861 568 R HN 0.299 nan 8.270 nan 0.000 0.440 569 Y N 0.710 120.923 120.300 -0.146 0.000 2.571 569 Y HA 0.243 4.793 4.550 0.000 0.000 0.275 569 Y C -0.229 175.686 175.900 0.025 0.000 1.179 569 Y CA -0.351 57.689 58.100 -0.101 0.000 1.242 569 Y CB 0.138 38.418 38.460 -0.300 0.000 1.126 569 Y HN 0.137 nan 8.280 nan 0.000 0.524 570 E N -0.706 119.541 120.200 0.079 0.000 2.539 570 E HA -0.272 4.079 4.350 0.001 0.000 0.253 570 E C 0.677 177.403 176.600 0.210 0.000 1.145 570 E CA 0.463 56.928 56.400 0.108 0.000 0.738 570 E CB -1.239 28.508 29.700 0.078 0.000 1.308 570 E HN 0.495 nan 8.360 nan 0.000 0.409 571 A N -0.221 122.661 122.820 0.103 0.000 2.684 571 A HA 0.598 4.918 4.320 0.001 0.000 0.288 571 A C 1.914 179.504 177.584 0.010 0.000 1.337 571 A CA 0.521 52.535 52.037 -0.038 0.000 0.946 571 A CB 0.089 18.954 19.000 -0.226 0.000 1.093 571 A HN 0.424 nan 8.150 nan 0.000 0.543 572 A N 0.903 123.751 122.820 0.046 0.000 1.948 572 A HA -0.204 4.117 4.320 0.001 0.000 0.220 572 A C 1.642 179.248 177.584 0.037 0.000 1.177 572 A CA 1.836 53.897 52.037 0.040 0.000 0.636 572 A CB -0.360 18.660 19.000 0.034 0.000 0.815 572 A HN 0.530 nan 8.150 nan 0.000 0.449 573 N N -0.392 118.335 118.700 0.046 0.000 2.398 573 N HA 0.160 4.900 4.740 0.001 0.000 0.188 573 N C -0.087 175.456 175.510 0.056 0.000 1.122 573 N CA 0.106 53.187 53.050 0.051 0.000 0.866 573 N CB -0.080 38.444 38.487 0.062 0.000 0.970 573 N HN 0.447 nan 8.380 nan 0.000 0.462 574 L N 1.247 122.484 121.223 0.023 0.000 2.367 574 L HA 0.198 4.539 4.340 0.001 0.000 0.275 574 L C -0.049 176.858 176.870 0.062 0.000 1.129 574 L CA -0.244 54.620 54.840 0.040 0.000 0.839 574 L CB 0.994 43.029 42.059 -0.041 0.000 1.133 574 L HN -0.257 nan 8.230 nan 0.000 0.453 575 V N 4.960 124.939 119.914 0.108 0.000 2.459 575 V HA 0.347 4.467 4.120 0.001 0.000 0.295 575 V C -1.964 174.163 176.094 0.055 0.000 1.029 575 V CA -1.773 60.539 62.300 0.020 0.000 0.874 575 V CB 1.723 33.469 31.823 -0.127 0.000 0.985 575 V HN 0.638 nan 8.190 nan 0.000 0.438 576 P HA -0.003 nan 4.420 nan 0.000 0.268 576 P C 0.672 178.048 177.300 0.127 0.000 1.205 576 P CA -0.033 63.109 63.100 0.069 0.000 0.771 576 P CB 0.733 32.447 31.700 0.024 0.000 0.858 577 F N 4.461 124.453 119.950 0.070 0.000 2.154 577 F HA -0.199 4.328 4.527 -0.000 0.000 0.301 577 F C 2.486 178.336 175.800 0.084 0.000 1.087 577 F CA 1.551 59.630 58.000 0.132 0.000 1.274 577 F CB -0.619 38.447 39.000 0.110 0.000 1.009 577 F HN 0.317 nan 8.300 nan 0.000 0.485 578 R N 0.470 120.937 120.500 -0.054 0.000 2.159 578 R HA -0.185 4.155 4.340 0.001 0.000 0.237 578 R C 2.124 178.301 176.300 -0.204 0.000 1.131 578 R CA 1.858 57.844 56.100 -0.190 0.000 0.982 578 R CB -0.313 29.918 30.300 -0.116 0.000 0.868 578 R HN 0.441 nan 8.270 nan 0.000 0.453 579 E N -0.766 119.312 120.200 -0.204 0.000 2.072 579 E HA -0.203 4.147 4.350 0.001 0.000 0.191 579 E C 1.708 178.146 176.600 -0.269 0.000 0.985 579 E CA 1.232 57.474 56.400 -0.263 0.000 0.801 579 E CB -0.127 29.351 29.700 -0.370 0.000 0.750 579 E HN 0.439 nan 8.360 nan 0.000 0.452 580 Y N 0.851 121.090 120.300 -0.101 0.000 2.293 580 Y HA -0.117 4.433 4.550 0.001 0.000 0.291 580 Y C 2.161 177.950 175.900 -0.185 0.000 1.137 580 Y CA 0.654 58.698 58.100 -0.094 0.000 1.202 580 Y CB -0.347 38.120 38.460 0.012 0.000 0.990 580 Y HN 0.005 nan 8.280 nan 0.000 0.537 581 L N -0.331 120.745 121.223 -0.244 0.000 2.005 581 L HA -0.207 4.134 4.340 0.001 0.000 0.207 581 L C 2.266 179.079 176.870 -0.096 0.000 1.072 581 L CA 1.556 56.249 54.840 -0.245 0.000 0.744 581 L CB -0.494 41.325 42.059 -0.399 0.000 0.895 581 L HN 0.219 nan 8.230 nan 0.000 0.433 582 E N 0.107 120.242 120.200 -0.107 0.000 2.110 582 E HA -0.231 4.120 4.350 0.001 0.000 0.193 582 E C 2.217 178.797 176.600 -0.033 0.000 0.988 582 E CA 1.113 57.474 56.400 -0.065 0.000 0.804 582 E CB -0.183 29.470 29.700 -0.078 0.000 0.745 582 E HN 0.501 nan 8.360 nan 0.000 0.458 583 A N 1.481 124.286 122.820 -0.026 0.000 2.019 583 A HA -0.166 4.154 4.320 0.001 0.000 0.219 583 A C 1.667 179.267 177.584 0.027 0.000 1.164 583 A CA 1.141 53.181 52.037 0.007 0.000 0.644 583 A CB -0.073 18.948 19.000 0.036 0.000 0.805 583 A HN 0.035 nan 8.150 nan 0.000 0.449 584 E N -1.073 119.146 120.200 0.033 0.000 2.437 584 E HA 0.250 4.601 4.350 0.001 0.000 0.189 584 E C 1.066 177.691 176.600 0.042 0.000 1.054 584 E CA 0.517 56.946 56.400 0.049 0.000 0.874 584 E CB -0.347 29.396 29.700 0.071 0.000 1.011 584 E HN 0.754 nan 8.360 nan 0.000 0.474 585 G N 1.149 109.962 108.800 0.022 0.000 2.143 585 G HA2 -0.284 3.677 3.960 0.001 0.000 0.248 585 G HA3 -0.284 3.677 3.960 0.001 0.000 0.248 585 G C 0.201 175.111 174.900 0.018 0.000 0.991 585 G CA 0.371 45.482 45.100 0.017 0.000 0.689 585 G HN 0.243 nan 8.290 nan 0.000 0.522 586 L N -0.356 120.877 121.223 0.016 0.000 2.332 586 L HA 0.785 5.126 4.340 0.001 0.000 0.269 586 L C 0.083 176.945 176.870 -0.013 0.000 1.016 586 L CA -1.164 53.688 54.840 0.019 0.000 0.809 586 L CB 1.328 43.423 42.059 0.060 0.000 1.280 586 L HN -0.028 nan 8.230 nan 0.000 0.447 587 E N 0.506 120.700 120.200 -0.010 0.000 2.256 587 E HA 0.253 4.603 4.350 0.001 0.000 0.267 587 E C -0.997 175.591 176.600 -0.020 0.000 0.892 587 E CA -0.502 55.882 56.400 -0.028 0.000 0.775 587 E CB 2.244 31.931 29.700 -0.022 0.000 1.207 587 E HN 0.467 nan 8.360 nan 0.000 0.420 588 S N 1.012 116.683 115.700 -0.049 0.000 2.560 588 S HA -0.020 4.450 4.470 0.001 0.000 0.284 588 S C 0.964 175.571 174.600 0.012 0.000 1.327 588 S CA -0.041 58.140 58.200 -0.032 0.000 1.055 588 S CB 0.296 63.405 63.200 -0.152 0.000 0.868 588 S HN 0.533 nan 8.310 nan 0.000 0.506 589 K N 3.130 123.599 120.400 0.115 0.000 2.404 589 K HA 0.091 4.411 4.320 0.001 0.000 0.194 589 K C 0.802 177.523 176.600 0.201 0.000 1.023 589 K CA 0.413 56.777 56.287 0.129 0.000 1.094 589 K CB -0.137 32.440 32.500 0.128 0.000 0.841 589 K HN 0.886 nan 8.250 nan 0.000 0.523 590 Y N -1.638 118.685 120.300 0.039 0.000 2.449 590 Y HA 0.446 4.995 4.550 -0.000 0.000 0.278 590 Y C 0.046 175.960 175.900 0.024 0.000 1.066 590 Y CA -0.962 57.158 58.100 0.034 0.000 1.166 590 Y CB 0.619 39.108 38.460 0.049 0.000 1.346 590 Y HN -0.171 nan 8.280 nan 0.000 0.562 591 I N 5.749 125.938 120.570 -0.635 0.000 2.301 591 I HA 0.262 4.432 4.170 0.001 0.000 0.292 591 I C -0.404 175.579 176.117 -0.223 0.000 1.046 591 I CA -0.449 60.549 61.300 -0.503 0.000 1.282 591 I CB 0.781 38.434 38.000 -0.579 0.000 1.409 591 I HN 0.215 nan 8.210 nan 0.000 0.484 592 K N 0.000 120.318 120.400 -0.136 0.000 2.780 592 K HA 0.000 4.320 4.320 0.001 0.000 0.191 592 K CA 0.000 56.237 56.287 -0.083 0.000 0.838 592 K CB 0.000 32.471 32.500 -0.048 0.000 1.064 592 K HN 0.000 nan 8.250 nan 0.000 0.543