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 2xgs_1_A DATA FIRST_RESID 27 DATA SEQUENCE LMLADAELGM GDTTAGEMAV QRGLALHPGH PEAVARLGRV RWTQQRHAEA DATA SEQUENCE AVLLQQASDA APEHPGIALW LGHALEDAGQ AEAAAAAYTR AHQLLPEEPY DATA SEQUENCE ITAQLLNWRR RLCDWRALDV LSAQVRAAVA QGVGAVEPFA FLSEDASAAE DATA SEQUENCE QLACARTRAQ AIAASVRPLA PTRVRSKGPL RVGFVSNGFG AHPTGLLTVA DATA SEQUENCE LFEALQRRQP DLQMHLFATS GDDGSTLRTR LAQASTLHDV TALGHLATAK DATA SEQUENCE HIRHHGIDLL FDLRGWGGGG RPEVFALRPA PVQVNWLAYP GTSGAPWMDY DATA SEQUENCE VLGDAFALPP ALEPFYSEHV LRLQGAFQPS DTSRVVAEPP SRTQCGLPEQ DATA SEQUENCE GVVLCCFNNS YKLNPQSMAR MLAVLREVPD SVLWLLSGPG EADARLRAFA DATA SEQUENCE HAQGVDAQRL VFMPKLPHPQ YLARYRHADL FLDTHPYNAH TTASDALWTG DATA SEQUENCE CPVLTTPGET FAARVAGSLN HHLGLDEMNV ADDAAFVAKA VALASDPAAL DATA SEQUENCE TALHARVDVL RRASGVFHMD GFADDFGALL QALARRHGWL GI 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 27 L HA 0.000 nan 4.340 nan 0.000 0.249 27 L C 0.000 176.901 176.870 0.052 0.000 1.165 27 L CA 0.000 54.866 54.840 0.043 0.000 0.813 27 L CB 0.000 42.078 42.059 0.032 0.000 0.961 28 M N 0.035 119.659 119.600 0.040 0.000 2.082 28 M HA -0.192 4.425 4.480 0.228 0.000 0.258 28 M C 2.242 178.568 176.300 0.043 0.000 1.069 28 M CA 2.236 57.561 55.300 0.042 0.000 1.102 28 M CB -1.208 31.409 32.600 0.028 0.000 1.336 28 M HN 0.455 nan 8.290 nan 0.000 0.404 29 L N 1.107 122.351 121.223 0.035 0.000 1.990 29 L HA -0.120 4.357 4.340 0.228 0.000 0.213 29 L C 2.543 179.436 176.870 0.038 0.000 1.072 29 L CA 2.519 57.378 54.840 0.032 0.000 0.755 29 L CB -1.201 40.872 42.059 0.024 0.000 0.889 29 L HN 0.232 nan 8.230 nan 0.000 0.432 30 A N -0.738 122.109 122.820 0.044 0.000 1.940 30 A HA -0.234 4.223 4.320 0.228 0.000 0.219 30 A C 1.956 179.578 177.584 0.063 0.000 1.176 30 A CA 1.942 54.009 52.037 0.050 0.000 0.631 30 A CB -0.973 18.061 19.000 0.056 0.000 0.814 30 A HN 0.598 nan 8.150 nan 0.000 0.446 31 D N 0.035 120.482 120.400 0.080 0.000 2.097 31 D HA -0.025 4.752 4.640 0.228 0.000 0.195 31 D C 2.244 178.591 176.300 0.079 0.000 0.989 31 D CA 1.596 55.656 54.000 0.101 0.000 0.827 31 D CB -0.453 40.419 40.800 0.120 0.000 0.966 31 D HN 0.422 nan 8.370 nan 0.000 0.456 32 A N 1.031 123.887 122.820 0.061 0.000 1.902 32 A HA -0.176 4.281 4.320 0.228 0.000 0.217 32 A C 2.055 179.663 177.584 0.039 0.000 1.181 32 A CA 1.252 53.318 52.037 0.048 0.000 0.623 32 A CB -0.329 18.694 19.000 0.038 0.000 0.818 32 A HN 0.071 nan 8.150 nan 0.000 0.443 33 E N -0.287 119.935 120.200 0.036 0.000 2.072 33 E HA -0.127 4.360 4.350 0.228 0.000 0.191 33 E C 2.076 178.692 176.600 0.027 0.000 0.985 33 E CA 0.759 57.175 56.400 0.027 0.000 0.801 33 E CB -0.349 29.365 29.700 0.024 0.000 0.750 33 E HN 0.612 nan 8.360 nan 0.000 0.452 34 L N 0.467 121.711 121.223 0.037 0.000 2.027 34 L HA -0.108 4.369 4.340 0.228 0.000 0.206 34 L C 2.399 179.294 176.870 0.041 0.000 1.074 34 L CA 1.608 56.469 54.840 0.036 0.000 0.745 34 L CB -0.829 41.257 42.059 0.045 0.000 0.898 34 L HN 0.174 nan 8.230 nan 0.000 0.433 35 G N -0.224 108.609 108.800 0.055 0.000 2.469 35 G HA2 -0.383 3.714 3.960 0.228 0.000 0.219 35 G HA3 -0.383 3.714 3.960 0.228 0.000 0.219 35 G C 1.450 176.375 174.900 0.041 0.000 1.150 35 G CA 1.135 46.270 45.100 0.058 0.000 0.763 35 G HN 0.268 nan 8.290 nan 0.000 0.561 36 M N 0.082 119.700 119.600 0.030 0.000 2.296 36 M HA 0.212 4.829 4.480 0.228 0.000 0.265 36 M C 2.053 178.358 176.300 0.008 0.000 1.064 36 M CA 1.585 56.896 55.300 0.018 0.000 1.109 36 M CB 0.044 32.652 32.600 0.014 0.000 1.396 36 M HN 0.474 nan 8.290 nan 0.000 0.430 37 G N -1.915 106.889 108.800 0.006 0.000 2.380 37 G HA2 -0.180 3.917 3.960 0.228 0.000 0.197 37 G HA3 -0.180 3.917 3.960 0.228 0.000 0.197 37 G C 0.217 175.109 174.900 -0.014 0.000 1.001 37 G CA 0.067 45.162 45.100 -0.009 0.000 0.668 37 G HN 0.414 nan 8.290 nan 0.000 0.483 38 D N 2.696 123.091 120.400 -0.007 0.000 2.541 38 D HA 0.272 5.049 4.640 0.228 0.000 0.231 38 D C 2.139 178.435 176.300 -0.007 0.000 1.163 38 D CA 0.871 54.865 54.000 -0.009 0.000 1.077 38 D CB 0.281 41.078 40.800 -0.005 0.000 1.110 38 D HN 0.436 nan 8.370 nan 0.000 0.499 39 T N -0.773 113.772 114.554 -0.016 0.000 2.759 39 T HA -0.237 4.250 4.350 0.228 0.000 0.269 39 T C 1.887 176.581 174.700 -0.011 0.000 1.042 39 T CA 1.841 63.932 62.100 -0.015 0.000 1.140 39 T CB -0.312 68.537 68.868 -0.032 0.000 0.864 39 T HN 0.307 nan 8.240 nan 0.000 0.455 40 T N 1.203 115.748 114.554 -0.014 0.000 2.708 40 T HA 0.056 4.543 4.350 0.228 0.000 0.266 40 T C 2.271 176.969 174.700 -0.003 0.000 1.037 40 T CA 1.720 63.813 62.100 -0.010 0.000 1.146 40 T CB -0.927 67.933 68.868 -0.014 0.000 0.865 40 T HN 0.561 nan 8.240 nan 0.000 0.435 41 A N 0.906 123.725 122.820 -0.001 0.000 1.898 41 A HA 0.244 4.701 4.320 0.228 0.000 0.216 41 A C 2.726 180.315 177.584 0.010 0.000 1.181 41 A CA 1.865 53.904 52.037 0.004 0.000 0.620 41 A CB -1.655 17.347 19.000 0.003 0.000 0.819 41 A HN 0.641 nan 8.150 nan 0.000 0.442 42 G N -0.299 108.508 108.800 0.012 0.000 2.574 42 G HA2 -0.377 3.720 3.960 0.228 0.000 0.220 42 G HA3 -0.377 3.720 3.960 0.228 0.000 0.220 42 G C 1.469 176.383 174.900 0.022 0.000 1.173 42 G CA 1.394 46.506 45.100 0.020 0.000 0.772 42 G HN 0.661 nan 8.290 nan 0.000 0.585 43 E N -0.542 119.667 120.200 0.015 0.000 2.085 43 E HA -0.163 4.324 4.350 0.228 0.000 0.194 43 E C 2.453 179.063 176.600 0.016 0.000 0.994 43 E CA 1.254 57.663 56.400 0.015 0.000 0.801 43 E CB -0.201 29.503 29.700 0.006 0.000 0.743 43 E HN 0.496 nan 8.360 nan 0.000 0.453 44 M N -0.169 119.438 119.600 0.012 0.000 2.117 44 M HA -0.169 4.448 4.480 0.228 0.000 0.262 44 M C 2.106 178.416 176.300 0.015 0.000 1.065 44 M CA 1.790 57.097 55.300 0.011 0.000 1.114 44 M CB -0.026 32.578 32.600 0.007 0.000 1.361 44 M HN 0.236 nan 8.290 nan 0.000 0.408 45 A N -0.716 122.115 122.820 0.018 0.000 1.855 45 A HA -0.113 4.344 4.320 0.228 0.000 0.215 45 A C 2.033 179.634 177.584 0.028 0.000 1.191 45 A CA 1.827 53.877 52.037 0.022 0.000 0.613 45 A CB -1.166 17.849 19.000 0.025 0.000 0.829 45 A HN 0.357 nan 8.150 nan 0.000 0.442 46 V N 0.134 120.069 119.914 0.035 0.000 2.252 46 V HA -0.313 3.944 4.120 0.228 0.000 0.249 46 V C 2.737 178.854 176.094 0.039 0.000 1.056 46 V CA 2.181 64.507 62.300 0.044 0.000 1.022 46 V CB -0.893 30.960 31.823 0.050 0.000 0.641 46 V HN 0.543 nan 8.190 nan 0.000 0.445 47 Q N -0.343 119.476 119.800 0.031 0.000 2.181 47 Q HA -0.167 4.310 4.340 0.228 0.000 0.205 47 Q C 2.448 178.462 176.000 0.023 0.000 0.980 47 Q CA 1.467 57.287 55.803 0.027 0.000 0.862 47 Q CB -0.314 28.436 28.738 0.020 0.000 0.905 47 Q HN 0.591 nan 8.270 nan 0.000 0.429 48 R N -0.751 119.761 120.500 0.020 0.000 2.115 48 R HA -0.044 4.433 4.340 0.228 0.000 0.226 48 R C 2.242 178.554 176.300 0.019 0.000 1.100 48 R CA 0.904 57.013 56.100 0.015 0.000 0.980 48 R CB -0.382 29.925 30.300 0.012 0.000 0.875 48 R HN 0.283 nan 8.270 nan 0.000 0.445 49 G N 1.544 110.359 108.800 0.026 0.000 2.480 49 G HA2 -0.261 3.836 3.960 0.228 0.000 0.216 49 G HA3 -0.261 3.836 3.960 0.228 0.000 0.216 49 G C 1.465 176.390 174.900 0.042 0.000 1.200 49 G CA 0.485 45.604 45.100 0.030 0.000 0.782 49 G HN 0.156 nan 8.290 nan 0.000 0.554 50 L N 0.864 122.116 121.223 0.048 0.000 2.079 50 L HA -0.099 4.378 4.340 0.228 0.000 0.210 50 L C 3.430 180.325 176.870 0.042 0.000 1.081 50 L CA 0.942 55.818 54.840 0.059 0.000 0.752 50 L CB -0.377 41.716 42.059 0.057 0.000 0.896 50 L HN 0.322 nan 8.230 nan 0.000 0.433 51 A N -0.140 122.695 122.820 0.024 0.000 1.997 51 A HA -0.243 4.214 4.320 0.228 0.000 0.221 51 A C 2.192 179.767 177.584 -0.015 0.000 1.172 51 A CA 1.853 53.893 52.037 0.005 0.000 0.645 51 A CB -0.621 18.380 19.000 0.002 0.000 0.813 51 A HN 0.381 nan 8.150 nan 0.000 0.454 52 L N -1.684 119.532 121.223 -0.011 0.000 2.013 52 L HA 0.006 4.483 4.340 0.228 0.000 0.204 52 L C 0.854 177.620 176.870 -0.174 0.000 1.081 52 L CA 0.761 55.560 54.840 -0.068 0.000 0.751 52 L CB -0.273 41.793 42.059 0.012 0.000 0.901 52 L HN 0.427 nan 8.230 nan 0.000 0.440 53 H N 0.105 119.155 119.070 -0.033 0.000 2.691 53 H HA 0.273 4.966 4.556 0.228 0.000 0.281 53 H C -2.217 173.130 175.328 0.031 0.000 1.121 53 H CA -2.083 53.959 56.048 -0.010 0.000 1.254 53 H CB 0.503 30.235 29.762 -0.050 0.000 1.390 53 H HN 0.018 nan 8.280 nan 0.000 0.491 54 P HA 0.094 nan 4.420 nan 0.000 0.271 54 P C 0.997 178.361 177.300 0.106 0.000 1.226 54 P CA 0.561 63.712 63.100 0.085 0.000 0.765 54 P CB 0.896 32.621 31.700 0.043 0.000 0.835 55 G N 1.416 110.280 108.800 0.106 0.000 2.168 55 G HA2 -0.195 3.901 3.960 0.228 0.000 0.197 55 G HA3 -0.195 3.901 3.960 0.228 0.000 0.197 55 G C 0.049 175.004 174.900 0.092 0.000 0.997 55 G CA -0.495 44.656 45.100 0.084 0.000 0.658 55 G HN 0.720 nan 8.290 nan 0.000 0.513 56 H N 1.997 121.086 119.070 0.033 0.000 2.668 56 H HA 0.282 4.975 4.556 0.228 0.000 0.303 56 H C -0.827 174.494 175.328 -0.012 0.000 1.074 56 H CA -0.844 55.206 56.048 0.004 0.000 1.406 56 H CB 1.770 31.532 29.762 -0.001 0.000 1.442 56 H HN 0.064 nan 8.280 nan 0.000 0.482 57 P HA -0.252 nan 4.420 nan 0.000 0.212 57 P C 1.315 178.551 177.300 -0.105 0.000 1.174 57 P CA 1.270 64.231 63.100 -0.233 0.000 0.934 57 P CB 0.366 31.866 31.700 -0.334 0.000 0.791 58 E N -0.634 119.493 120.200 -0.122 0.000 2.208 58 E HA -0.213 4.274 4.350 0.228 0.000 0.202 58 E C 1.931 178.614 176.600 0.137 0.000 1.014 58 E CA 1.875 58.294 56.400 0.031 0.000 0.819 58 E CB -0.853 28.917 29.700 0.118 0.000 0.735 58 E HN 0.245 nan 8.360 nan 0.000 0.469 59 A N -0.763 122.185 122.820 0.214 0.000 1.862 59 A HA -0.008 4.449 4.320 0.228 0.000 0.211 59 A C 2.388 180.045 177.584 0.123 0.000 1.220 59 A CA 0.891 53.020 52.037 0.153 0.000 0.616 59 A CB -0.642 18.446 19.000 0.147 0.000 0.878 59 A HN 0.121 nan 8.150 nan 0.000 0.453 60 V N 0.725 120.704 119.914 0.110 0.000 2.313 60 V HA -0.370 3.887 4.120 0.228 0.000 0.253 60 V C 2.987 179.139 176.094 0.096 0.000 1.070 60 V CA 2.329 64.679 62.300 0.084 0.000 1.057 60 V CB -1.526 30.333 31.823 0.059 0.000 0.653 60 V HN 0.609 nan 8.190 nan 0.000 0.450 61 A N 0.078 122.968 122.820 0.117 0.000 1.877 61 A HA -0.194 4.263 4.320 0.228 0.000 0.216 61 A C 2.391 180.108 177.584 0.223 0.000 1.186 61 A CA 1.729 53.875 52.037 0.181 0.000 0.620 61 A CB -0.474 18.657 19.000 0.217 0.000 0.822 61 A HN 0.528 nan 8.150 nan 0.000 0.443 62 R N -1.009 119.623 120.500 0.220 0.000 2.091 62 R HA -0.142 4.335 4.340 0.228 0.000 0.238 62 R C 2.080 178.442 176.300 0.104 0.000 1.136 62 R CA 1.413 57.629 56.100 0.192 0.000 0.959 62 R CB -0.935 29.472 30.300 0.177 0.000 0.856 62 R HN 0.466 nan 8.270 nan 0.000 0.437 63 L N 0.947 122.226 121.223 0.093 0.000 1.971 63 L HA -0.103 4.373 4.340 0.228 0.000 0.215 63 L C 2.361 179.268 176.870 0.061 0.000 1.072 63 L CA 2.311 57.190 54.840 0.066 0.000 0.758 63 L CB -1.220 40.874 42.059 0.059 0.000 0.889 63 L HN 0.264 nan 8.230 nan 0.000 0.433 64 G N -1.534 107.311 108.800 0.074 0.000 2.499 64 G HA2 -0.362 3.735 3.960 0.228 0.000 0.221 64 G HA3 -0.362 3.735 3.960 0.228 0.000 0.221 64 G C 1.753 176.696 174.900 0.072 0.000 1.109 64 G CA 1.025 46.171 45.100 0.076 0.000 0.749 64 G HN 0.329 nan 8.290 nan 0.000 0.568 65 R N -0.011 120.503 120.500 0.023 0.000 2.127 65 R HA 0.124 4.601 4.340 0.228 0.000 0.217 65 R C 2.614 178.943 176.300 0.048 0.000 1.074 65 R CA 0.913 56.964 56.100 -0.081 0.000 0.991 65 R CB -0.656 29.404 30.300 -0.399 0.000 0.895 65 R HN 0.215 nan 8.270 nan 0.000 0.450 66 V N 1.687 121.621 119.914 0.033 0.000 2.233 66 V HA -0.304 3.952 4.120 0.228 0.000 0.247 66 V C 2.362 178.465 176.094 0.016 0.000 1.050 66 V CA 2.132 64.448 62.300 0.026 0.000 1.010 66 V CB -0.566 31.268 31.823 0.018 0.000 0.637 66 V HN 0.291 nan 8.190 nan 0.000 0.444 67 R N -0.982 119.532 120.500 0.023 0.000 2.115 67 R HA -0.286 4.191 4.340 0.228 0.000 0.239 67 R C 2.034 178.311 176.300 -0.038 0.000 1.133 67 R CA 2.368 58.463 56.100 -0.009 0.000 0.935 67 R CB -1.211 29.100 30.300 0.018 0.000 0.853 67 R HN 0.700 nan 8.270 nan 0.000 0.433 68 W N 2.219 123.446 121.300 -0.122 0.000 2.304 68 W HA -0.249 4.547 4.660 0.227 0.000 0.315 68 W C 2.089 178.538 176.519 -0.118 0.000 1.233 68 W CA 2.508 59.800 57.345 -0.088 0.000 1.261 68 W CB -0.551 28.889 29.460 -0.032 0.000 1.150 68 W HN 0.073 nan 8.180 nan 0.000 0.494 69 T N 0.586 115.095 114.554 -0.075 0.000 2.643 69 T HA -0.294 4.193 4.350 0.228 0.000 0.264 69 T C 1.521 176.045 174.700 -0.294 0.000 1.045 69 T CA 1.936 63.884 62.100 -0.253 0.000 1.155 69 T CB -0.786 68.060 68.868 -0.038 0.000 0.863 69 T HN 0.290 nan 8.240 nan 0.000 0.420 70 Q N 0.848 120.529 119.800 -0.198 0.000 2.585 70 Q HA -0.126 4.351 4.340 0.228 0.000 0.219 70 Q C 0.565 176.386 176.000 -0.299 0.000 0.984 70 Q CA 0.561 56.244 55.803 -0.200 0.000 0.915 70 Q CB -0.425 28.233 28.738 -0.134 0.000 0.967 70 Q HN 0.542 nan 8.270 nan 0.000 0.530 71 Q N -1.256 118.231 119.800 -0.522 0.000 2.481 71 Q HA -0.215 4.262 4.340 0.228 0.000 0.258 71 Q C -0.691 174.846 176.000 -0.771 0.000 0.961 71 Q CA 0.712 55.992 55.803 -0.872 0.000 1.121 71 Q CB -1.034 27.487 28.738 -0.361 0.000 1.503 71 Q HN 0.358 nan 8.270 nan 0.000 0.544 72 R N 0.484 120.685 120.500 -0.498 0.000 3.657 72 R HA 0.147 4.623 4.340 0.228 0.000 0.220 72 R C 0.543 176.744 176.300 -0.165 0.000 1.548 72 R CA -0.378 55.581 56.100 -0.234 0.000 1.465 72 R CB 0.195 30.421 30.300 -0.123 0.000 1.330 72 R HN 0.282 nan 8.270 nan 0.000 0.707 73 H N 0.844 119.926 119.070 0.020 0.000 2.395 73 H HA -0.043 4.651 4.556 0.229 0.000 0.299 73 H C 1.923 177.292 175.328 0.069 0.000 1.070 73 H CA 1.501 57.589 56.048 0.066 0.000 1.356 73 H CB 0.264 30.060 29.762 0.058 0.000 1.401 73 H HN 0.515 nan 8.280 nan 0.000 0.524 74 A N 1.145 124.053 122.820 0.147 0.000 1.930 74 A HA -0.151 4.306 4.320 0.228 0.000 0.217 74 A C 2.292 179.918 177.584 0.071 0.000 1.175 74 A CA 1.481 53.576 52.037 0.096 0.000 0.627 74 A CB -0.239 18.803 19.000 0.069 0.000 0.815 74 A HN 0.394 nan 8.150 nan 0.000 0.443 75 E N -0.222 120.010 120.200 0.053 0.000 2.107 75 E HA 0.004 4.491 4.350 0.228 0.000 0.191 75 E C 2.295 178.929 176.600 0.056 0.000 0.982 75 E CA 0.796 57.220 56.400 0.041 0.000 0.809 75 E CB -0.287 29.424 29.700 0.019 0.000 0.756 75 E HN 0.595 nan 8.360 nan 0.000 0.459 76 A N 1.445 124.313 122.820 0.080 0.000 1.892 76 A HA -0.243 4.214 4.320 0.228 0.000 0.218 76 A C 2.365 180.006 177.584 0.094 0.000 1.188 76 A CA 2.070 54.175 52.037 0.112 0.000 0.631 76 A CB -0.771 18.355 19.000 0.210 0.000 0.822 76 A HN 0.318 nan 8.150 nan 0.000 0.447 77 A N -0.965 121.911 122.820 0.093 0.000 1.970 77 A HA 0.169 4.625 4.320 0.228 0.000 0.216 77 A C 2.190 179.800 177.584 0.043 0.000 1.170 77 A CA 1.333 53.407 52.037 0.062 0.000 0.645 77 A CB -0.779 18.257 19.000 0.060 0.000 0.816 77 A HN 0.353 nan 8.150 nan 0.000 0.447 78 V N 0.402 120.343 119.914 0.045 0.000 2.219 78 V HA -0.331 3.925 4.120 0.228 0.000 0.248 78 V C 2.583 178.697 176.094 0.033 0.000 1.053 78 V CA 2.363 64.684 62.300 0.034 0.000 1.009 78 V CB -0.941 30.902 31.823 0.032 0.000 0.636 78 V HN 0.594 nan 8.190 nan 0.000 0.445 79 L N -1.074 120.173 121.223 0.041 0.000 2.083 79 L HA -0.190 4.286 4.340 0.228 0.000 0.209 79 L C 2.362 179.260 176.870 0.046 0.000 1.083 79 L CA 1.437 56.303 54.840 0.043 0.000 0.752 79 L CB -0.501 41.589 42.059 0.051 0.000 0.899 79 L HN 0.277 nan 8.230 nan 0.000 0.433 80 L N -0.960 120.293 121.223 0.050 0.000 2.217 80 L HA -0.162 4.315 4.340 0.228 0.000 0.211 80 L C 2.606 179.493 176.870 0.027 0.000 1.107 80 L CA 0.563 55.434 54.840 0.052 0.000 0.783 80 L CB -0.158 41.935 42.059 0.057 0.000 0.919 80 L HN 0.250 nan 8.230 nan 0.000 0.442 81 Q N -0.087 119.724 119.800 0.018 0.000 2.119 81 Q HA -0.224 4.253 4.340 0.228 0.000 0.201 81 Q C 2.151 178.157 176.000 0.009 0.000 0.972 81 Q CA 1.642 57.450 55.803 0.008 0.000 0.847 81 Q CB -0.001 28.743 28.738 0.009 0.000 0.903 81 Q HN 0.456 nan 8.270 nan 0.000 0.433 82 Q N -0.999 118.810 119.800 0.015 0.000 2.084 82 Q HA -0.107 4.369 4.340 0.228 0.000 0.202 82 Q C 1.919 177.921 176.000 0.004 0.000 0.978 82 Q CA 1.478 57.288 55.803 0.012 0.000 0.844 82 Q CB -0.212 28.537 28.738 0.019 0.000 0.898 82 Q HN 0.479 nan 8.270 nan 0.000 0.426 83 A N 0.084 122.910 122.820 0.010 0.000 2.016 83 A HA -0.098 4.359 4.320 0.228 0.000 0.217 83 A C 2.088 179.666 177.584 -0.009 0.000 1.162 83 A CA 1.312 53.348 52.037 -0.001 0.000 0.662 83 A CB -0.359 18.656 19.000 0.025 0.000 0.812 83 A HN 0.308 nan 8.150 nan 0.000 0.450 84 S N 0.102 115.803 115.700 0.001 0.000 2.357 84 S HA -0.148 4.459 4.470 0.228 0.000 0.221 84 S C 1.580 176.172 174.600 -0.013 0.000 1.031 84 S CA 1.560 59.757 58.200 -0.005 0.000 0.982 84 S CB -0.432 62.761 63.200 -0.011 0.000 0.853 84 S HN 0.480 nan 8.310 nan 0.000 0.458 85 D N 1.780 122.173 120.400 -0.012 0.000 2.117 85 D HA 0.036 4.813 4.640 0.228 0.000 0.197 85 D C 2.179 178.467 176.300 -0.020 0.000 0.987 85 D CA 1.390 55.383 54.000 -0.013 0.000 0.829 85 D CB -0.650 40.145 40.800 -0.008 0.000 0.961 85 D HN 0.523 nan 8.370 nan 0.000 0.460 86 A N -0.014 122.790 122.820 -0.027 0.000 2.015 86 A HA 0.212 4.669 4.320 0.228 0.000 0.219 86 A C 1.420 178.968 177.584 -0.059 0.000 1.163 86 A CA 1.445 53.456 52.037 -0.043 0.000 0.646 86 A CB 0.020 18.987 19.000 -0.055 0.000 0.806 86 A HN 0.188 nan 8.150 nan 0.000 0.448 87 A N -0.821 121.968 122.820 -0.052 0.000 3.317 87 A HA 0.602 5.059 4.320 0.228 0.000 0.307 87 A C -1.902 175.673 177.584 -0.016 0.000 1.003 87 A CA -0.833 51.175 52.037 -0.048 0.000 0.882 87 A CB 0.226 19.177 19.000 -0.080 0.000 1.136 87 A HN 0.085 nan 8.150 nan 0.000 0.488 88 P HA -0.112 nan 4.420 nan 0.000 0.231 88 P C 0.652 177.945 177.300 -0.012 0.000 1.154 88 P CA 1.466 64.558 63.100 -0.014 0.000 0.762 88 P CB 0.364 32.055 31.700 -0.015 0.000 0.790 89 E N -3.701 116.498 120.200 -0.002 0.000 2.541 89 E HA 0.057 4.544 4.350 0.228 0.000 0.219 89 E C 0.169 176.778 176.600 0.015 0.000 0.922 89 E CA -0.077 56.322 56.400 -0.003 0.000 1.095 89 E CB -0.289 29.407 29.700 -0.006 0.000 1.112 89 E HN 0.252 nan 8.360 nan 0.000 0.516 90 H N 0.387 119.409 119.070 -0.080 0.000 2.683 90 H HA 0.143 4.836 4.556 0.228 0.000 0.339 90 H C -1.878 173.380 175.328 -0.116 0.000 1.081 90 H CA -1.578 54.410 56.048 -0.100 0.000 1.432 90 H CB 1.331 31.027 29.762 -0.111 0.000 1.462 90 H HN -0.095 nan 8.280 nan 0.000 0.557 91 P HA 0.172 nan 4.420 nan 0.000 0.215 91 P C 0.785 177.822 177.300 -0.438 0.000 1.144 91 P CA 1.348 64.203 63.100 -0.409 0.000 0.874 91 P CB 0.433 31.961 31.700 -0.286 0.000 0.796 92 G N 0.528 108.978 108.800 -0.584 0.000 2.846 92 G HA2 -0.385 3.712 3.960 0.228 0.000 0.317 92 G HA3 -0.385 3.712 3.960 0.228 0.000 0.317 92 G C 1.154 175.642 174.900 -0.687 0.000 1.210 92 G CA 0.568 45.144 45.100 -0.873 0.000 0.972 92 G HN 0.283 nan 8.290 nan 0.000 0.567 93 I N 2.259 122.636 120.570 -0.322 0.000 2.353 93 I HA 0.045 4.352 4.170 0.228 0.000 0.248 93 I C 3.295 179.372 176.117 -0.067 0.000 1.119 93 I CA 1.589 62.870 61.300 -0.032 0.000 1.417 93 I CB -0.444 37.667 38.000 0.185 0.000 1.078 93 I HN 0.584 nan 8.210 nan 0.000 0.421 94 A N 0.861 123.598 122.820 -0.137 0.000 1.883 94 A HA -0.247 4.210 4.320 0.228 0.000 0.217 94 A C 2.262 179.734 177.584 -0.188 0.000 1.186 94 A CA 1.728 53.686 52.037 -0.132 0.000 0.624 94 A CB -0.913 18.014 19.000 -0.122 0.000 0.822 94 A HN 0.400 nan 8.150 nan 0.000 0.444 95 L N -1.837 119.258 121.223 -0.215 0.000 2.079 95 L HA -0.138 4.339 4.340 0.228 0.000 0.210 95 L C 2.145 178.814 176.870 -0.335 0.000 1.081 95 L CA 1.809 56.493 54.840 -0.261 0.000 0.752 95 L CB -0.490 41.430 42.059 -0.233 0.000 0.896 95 L HN 0.553 nan 8.230 nan 0.000 0.433 96 W N -0.807 120.260 121.300 -0.388 0.000 2.436 96 W HA -0.048 4.748 4.660 0.228 0.000 0.284 96 W C 2.351 178.664 176.519 -0.343 0.000 1.225 96 W CA 0.974 58.105 57.345 -0.357 0.000 1.271 96 W CB -0.786 28.560 29.460 -0.191 0.000 1.114 96 W HN 0.241 nan 8.180 nan 0.000 0.559 97 L N 0.601 121.792 121.223 -0.053 0.000 2.093 97 L HA 0.037 4.514 4.340 0.228 0.000 0.208 97 L C 2.376 179.085 176.870 -0.269 0.000 1.085 97 L CA 2.527 57.295 54.840 -0.119 0.000 0.755 97 L CB -1.320 40.682 42.059 -0.094 0.000 0.904 97 L HN -0.027 nan 8.230 nan 0.000 0.435 98 G N -1.605 106.898 108.800 -0.494 0.000 2.446 98 G HA2 -0.309 3.787 3.960 0.228 0.000 0.217 98 G HA3 -0.309 3.787 3.960 0.228 0.000 0.217 98 G C 1.448 175.992 174.900 -0.593 0.000 1.168 98 G CA 0.988 45.514 45.100 -0.956 0.000 0.771 98 G HN 0.510 nan 8.290 nan 0.000 0.551 99 H N 0.996 119.881 119.070 -0.309 0.000 2.290 99 H HA -0.029 4.663 4.556 0.228 0.000 0.298 99 H C 2.946 178.195 175.328 -0.133 0.000 1.087 99 H CA 1.392 57.317 56.048 -0.206 0.000 1.291 99 H CB -0.841 28.604 29.762 -0.530 0.000 1.369 99 H HN 0.374 nan 8.280 nan 0.000 0.492 100 A N 0.885 123.666 122.820 -0.065 0.000 1.877 100 A HA -0.106 4.351 4.320 0.228 0.000 0.216 100 A C 2.781 180.414 177.584 0.082 0.000 1.186 100 A CA 1.330 53.458 52.037 0.150 0.000 0.620 100 A CB -0.961 18.099 19.000 0.101 0.000 0.822 100 A HN 0.308 nan 8.150 nan 0.000 0.443 101 L N -0.698 120.499 121.223 -0.043 0.000 2.131 101 L HA -0.207 4.270 4.340 0.228 0.000 0.210 101 L C 2.632 179.461 176.870 -0.069 0.000 1.092 101 L CA 1.673 56.481 54.840 -0.053 0.000 0.759 101 L CB -0.458 41.538 42.059 -0.104 0.000 0.903 101 L HN 0.615 nan 8.230 nan 0.000 0.435 102 E N 0.469 120.565 120.200 -0.175 0.000 2.023 102 E HA -0.266 4.221 4.350 0.228 0.000 0.196 102 E C 1.404 177.937 176.600 -0.112 0.000 1.003 102 E CA 1.813 58.042 56.400 -0.286 0.000 0.809 102 E CB 0.076 29.476 29.700 -0.501 0.000 0.755 102 E HN 0.429 nan 8.360 nan 0.000 0.449 103 D N -0.418 119.925 120.400 -0.095 0.000 2.348 103 D HA -0.046 4.731 4.640 0.228 0.000 0.216 103 D C 1.159 177.351 176.300 -0.180 0.000 0.970 103 D CA 0.804 54.683 54.000 -0.201 0.000 0.889 103 D CB 0.119 40.637 40.800 -0.470 0.000 0.912 103 D HN 0.239 nan 8.370 nan 0.000 0.524 104 A N -0.143 122.655 122.820 -0.037 0.000 2.251 104 A HA 0.418 4.875 4.320 0.228 0.000 0.209 104 A C 1.727 179.348 177.584 0.061 0.000 1.187 104 A CA 0.747 52.815 52.037 0.050 0.000 0.823 104 A CB -0.175 18.882 19.000 0.095 0.000 0.846 104 A HN 0.189 nan 8.150 nan 0.000 0.486 105 G N -0.786 108.056 108.800 0.070 0.000 2.176 105 G HA2 -0.252 3.845 3.960 0.228 0.000 0.252 105 G HA3 -0.252 3.845 3.960 0.228 0.000 0.252 105 G C 0.003 174.973 174.900 0.118 0.000 1.024 105 G CA 0.338 45.504 45.100 0.110 0.000 0.755 105 G HN 0.599 nan 8.290 nan 0.000 0.507 106 Q N -0.249 119.618 119.800 0.112 0.000 2.771 106 Q HA 0.626 5.103 4.340 0.228 0.000 0.239 106 Q C 1.656 177.761 176.000 0.176 0.000 1.231 106 Q CA 0.085 55.953 55.803 0.109 0.000 1.056 106 Q CB 0.896 29.674 28.738 0.066 0.000 1.284 106 Q HN 0.513 nan 8.270 nan 0.000 0.558 107 A N 1.996 124.966 122.820 0.250 0.000 1.845 107 A HA -0.208 4.249 4.320 0.228 0.000 0.215 107 A C 1.813 179.654 177.584 0.428 0.000 1.195 107 A CA 1.252 53.562 52.037 0.454 0.000 0.616 107 A CB -0.017 19.160 19.000 0.297 0.000 0.832 107 A HN 0.493 nan 8.150 nan 0.000 0.443 108 E N -0.072 120.254 120.200 0.209 0.000 2.077 108 E HA -0.143 4.344 4.350 0.228 0.000 0.193 108 E C 2.308 178.993 176.600 0.142 0.000 0.989 108 E CA 1.288 57.777 56.400 0.148 0.000 0.800 108 E CB -0.629 29.110 29.700 0.066 0.000 0.746 108 E HN 0.577 nan 8.360 nan 0.000 0.452 109 A N 1.415 124.298 122.820 0.105 0.000 1.930 109 A HA -0.023 4.434 4.320 0.228 0.000 0.217 109 A C 2.423 180.010 177.584 0.005 0.000 1.175 109 A CA 1.806 53.871 52.037 0.047 0.000 0.627 109 A CB -0.486 18.529 19.000 0.024 0.000 0.815 109 A HN 0.260 nan 8.150 nan 0.000 0.443 110 A N 0.060 122.892 122.820 0.019 0.000 1.902 110 A HA 0.131 4.587 4.320 0.228 0.000 0.217 110 A C 2.514 180.039 177.584 -0.099 0.000 1.181 110 A CA 2.150 54.074 52.037 -0.188 0.000 0.623 110 A CB -1.062 17.797 19.000 -0.235 0.000 0.818 110 A HN 1.046 nan 8.150 nan 0.000 0.443 111 A N -0.050 122.990 122.820 0.368 0.000 1.883 111 A HA 0.097 4.554 4.320 0.228 0.000 0.217 111 A C 2.535 180.257 177.584 0.231 0.000 1.186 111 A CA 2.359 54.702 52.037 0.510 0.000 0.624 111 A CB -1.144 18.115 19.000 0.432 0.000 0.822 111 A HN 1.155 nan 8.150 nan 0.000 0.444 112 A N -0.340 122.550 122.820 0.117 0.000 1.940 112 A HA 0.135 4.592 4.320 0.228 0.000 0.219 112 A C 2.472 180.059 177.584 0.005 0.000 1.176 112 A CA 2.173 54.244 52.037 0.057 0.000 0.631 112 A CB -0.923 18.098 19.000 0.034 0.000 0.814 112 A HN 1.077 nan 8.150 nan 0.000 0.446 113 A N -1.324 121.445 122.820 -0.086 0.000 1.898 113 A HA -0.009 4.448 4.320 0.228 0.000 0.216 113 A C 2.036 179.531 177.584 -0.148 0.000 1.181 113 A CA 1.445 53.379 52.037 -0.172 0.000 0.620 113 A CB -0.760 18.056 19.000 -0.307 0.000 0.819 113 A HN 0.561 nan 8.150 nan 0.000 0.442 114 Y N 0.938 121.218 120.300 -0.034 0.000 2.293 114 Y HA -0.124 4.562 4.550 0.228 0.000 0.291 114 Y C 2.852 178.764 175.900 0.020 0.000 1.137 114 Y CA 1.387 59.462 58.100 -0.041 0.000 1.202 114 Y CB -1.250 37.192 38.460 -0.029 0.000 0.990 114 Y HN 0.262 nan 8.280 nan 0.000 0.537 115 T N -0.262 114.407 114.554 0.192 0.000 2.652 115 T HA -0.229 4.258 4.350 0.228 0.000 0.267 115 T C 2.024 176.802 174.700 0.129 0.000 1.039 115 T CA 1.722 63.920 62.100 0.162 0.000 1.153 115 T CB -0.260 68.682 68.868 0.122 0.000 0.863 115 T HN 0.214 nan 8.240 nan 0.000 0.428 116 R N 0.640 121.178 120.500 0.062 0.000 2.096 116 R HA 0.007 4.483 4.340 0.228 0.000 0.235 116 R C 2.576 178.880 176.300 0.008 0.000 1.127 116 R CA 1.279 57.391 56.100 0.020 0.000 0.968 116 R CB -0.400 29.893 30.300 -0.012 0.000 0.861 116 R HN 0.393 nan 8.270 nan 0.000 0.440 117 A N -0.854 121.974 122.820 0.014 0.000 2.066 117 A HA -0.175 4.282 4.320 0.228 0.000 0.218 117 A C 1.755 179.359 177.584 0.032 0.000 1.157 117 A CA 1.559 53.587 52.037 -0.015 0.000 0.670 117 A CB -0.493 18.488 19.000 -0.032 0.000 0.804 117 A HN 0.476 nan 8.150 nan 0.000 0.453 118 H N -0.899 118.166 119.070 -0.008 0.000 2.431 118 H HA 0.096 4.789 4.556 0.229 0.000 0.295 118 H C 2.036 177.361 175.328 -0.006 0.000 1.038 118 H CA 1.588 57.634 56.048 -0.003 0.000 1.360 118 H CB -0.133 29.641 29.762 0.019 0.000 1.433 118 H HN 0.491 nan 8.280 nan 0.000 0.536 119 Q N -0.398 119.351 119.800 -0.086 0.000 2.061 119 Q HA -0.141 4.336 4.340 0.228 0.000 0.204 119 Q C 1.752 177.676 176.000 -0.127 0.000 0.984 119 Q CA 1.549 57.281 55.803 -0.119 0.000 0.846 119 Q CB 0.056 28.774 28.738 -0.033 0.000 0.902 119 Q HN 0.361 nan 8.270 nan 0.000 0.421 120 L N -0.669 120.498 121.223 -0.094 0.000 2.109 120 L HA -0.065 4.412 4.340 0.228 0.000 0.207 120 L C 0.933 177.743 176.870 -0.100 0.000 1.086 120 L CA 1.446 56.234 54.840 -0.087 0.000 0.760 120 L CB -0.174 41.835 42.059 -0.084 0.000 0.910 120 L HN 0.131 nan 8.230 nan 0.000 0.437 121 L N -0.391 120.764 121.223 -0.114 0.000 2.678 121 L HA 0.265 4.742 4.340 0.228 0.000 0.250 121 L C -1.621 175.174 176.870 -0.125 0.000 1.455 121 L CA -0.645 54.137 54.840 -0.097 0.000 0.823 121 L CB 0.960 42.979 42.059 -0.066 0.000 1.107 121 L HN -0.049 nan 8.230 nan 0.000 0.514 122 P HA -0.148 nan 4.420 nan 0.000 0.223 122 P C 0.778 178.039 177.300 -0.065 0.000 1.144 122 P CA 1.107 64.008 63.100 -0.331 0.000 0.783 122 P CB 0.253 31.763 31.700 -0.317 0.000 0.771 123 E N -0.639 119.540 120.200 -0.034 0.000 2.385 123 E HA -0.024 4.463 4.350 0.228 0.000 0.194 123 E C 0.564 177.184 176.600 0.033 0.000 1.013 123 E CA 0.345 56.749 56.400 0.006 0.000 0.866 123 E CB -0.255 29.441 29.700 -0.007 0.000 0.832 123 E HN 0.235 nan 8.360 nan 0.000 0.500 124 E N 3.060 123.285 120.200 0.041 0.000 2.070 124 E HA 0.075 4.562 4.350 0.228 0.000 0.282 124 E C -2.134 174.526 176.600 0.100 0.000 1.104 124 E CA -2.821 53.619 56.400 0.067 0.000 0.876 124 E CB 0.994 30.732 29.700 0.063 0.000 1.055 124 E HN -0.158 nan 8.360 nan 0.000 0.401 125 P HA 0.030 nan 4.420 nan 0.000 0.259 125 P C -0.481 176.908 177.300 0.148 0.000 1.480 125 P CA 0.228 63.384 63.100 0.093 0.000 0.842 125 P CB -0.175 31.561 31.700 0.060 0.000 1.513 126 Y N -0.393 119.917 120.300 0.016 0.000 2.581 126 Y HA 0.263 4.950 4.550 0.228 0.000 0.271 126 Y C 1.757 177.674 175.900 0.028 0.000 1.100 126 Y CA 0.347 58.458 58.100 0.018 0.000 1.281 126 Y CB -0.350 38.121 38.460 0.020 0.000 1.237 126 Y HN -0.229 nan 8.280 nan 0.000 0.514 127 I N -0.161 120.340 120.570 -0.114 0.000 2.233 127 I HA -0.239 4.068 4.170 0.228 0.000 0.243 127 I C 2.097 178.150 176.117 -0.106 0.000 1.093 127 I CA 1.813 63.014 61.300 -0.165 0.000 1.380 127 I CB -0.561 37.423 38.000 -0.026 0.000 1.067 127 I HN 0.096 nan 8.210 nan 0.000 0.413 128 T N 1.027 115.579 114.554 -0.004 0.000 2.685 128 T HA -0.288 4.199 4.350 0.228 0.000 0.268 128 T C 2.032 176.674 174.700 -0.097 0.000 1.034 128 T CA 1.659 63.715 62.100 -0.073 0.000 1.149 128 T CB -0.518 68.361 68.868 0.018 0.000 0.860 128 T HN 0.491 nan 8.240 nan 0.000 0.449 129 A N 1.605 124.391 122.820 -0.056 0.000 1.877 129 A HA -0.162 4.294 4.320 0.228 0.000 0.216 129 A C 2.421 179.955 177.584 -0.085 0.000 1.186 129 A CA 1.322 53.342 52.037 -0.029 0.000 0.620 129 A CB -0.545 18.474 19.000 0.031 0.000 0.822 129 A HN 0.438 nan 8.150 nan 0.000 0.443 130 Q N -0.986 118.694 119.800 -0.200 0.000 2.167 130 Q HA -0.137 4.340 4.340 0.228 0.000 0.202 130 Q C 2.093 177.849 176.000 -0.406 0.000 0.970 130 Q CA 1.347 56.953 55.803 -0.328 0.000 0.855 130 Q CB -0.500 27.942 28.738 -0.493 0.000 0.911 130 Q HN 0.604 nan 8.270 nan 0.000 0.438 131 L N 0.621 121.663 121.223 -0.302 0.000 2.056 131 L HA -0.130 4.347 4.340 0.228 0.000 0.207 131 L C 2.148 178.978 176.870 -0.066 0.000 1.078 131 L CA 1.168 55.897 54.840 -0.184 0.000 0.749 131 L CB -0.660 41.311 42.059 -0.147 0.000 0.901 131 L HN 0.157 nan 8.230 nan 0.000 0.433 132 L N -0.004 121.178 121.223 -0.070 0.000 2.017 132 L HA -0.225 4.251 4.340 0.228 0.000 0.208 132 L C 2.293 179.186 176.870 0.038 0.000 1.073 132 L CA 2.061 56.893 54.840 -0.013 0.000 0.745 132 L CB -1.204 40.848 42.059 -0.011 0.000 0.894 132 L HN 0.555 nan 8.230 nan 0.000 0.432 133 N N -0.987 117.741 118.700 0.045 0.000 2.058 133 N HA -0.299 4.578 4.740 0.228 0.000 0.191 133 N C 2.040 177.652 175.510 0.170 0.000 1.037 133 N CA 1.797 54.907 53.050 0.100 0.000 0.848 133 N CB -0.492 38.059 38.487 0.106 0.000 1.021 133 N HN 0.634 nan 8.380 nan 0.000 0.422 134 W N 1.968 123.225 121.300 -0.072 0.000 2.350 134 W HA -0.113 4.687 4.660 0.233 0.000 0.289 134 W C 2.098 178.644 176.519 0.045 0.000 1.215 134 W CA 0.655 57.996 57.345 -0.007 0.000 1.236 134 W CB 0.005 29.441 29.460 -0.040 0.000 1.130 134 W HN 0.205 nan 8.180 nan 0.000 0.541 135 R N -0.192 120.343 120.500 0.058 0.000 2.092 135 R HA -0.101 4.375 4.340 0.228 0.000 0.231 135 R C 2.244 178.543 176.300 -0.003 0.000 1.119 135 R CA 0.929 57.027 56.100 -0.004 0.000 0.970 135 R CB -0.409 29.922 30.300 0.052 0.000 0.864 135 R HN 0.198 nan 8.270 nan 0.000 0.440 136 R N 0.352 120.892 120.500 0.067 0.000 2.081 136 R HA -0.078 4.399 4.340 0.228 0.000 0.235 136 R C 2.229 178.572 176.300 0.072 0.000 1.131 136 R CA 1.165 57.352 56.100 0.144 0.000 0.960 136 R CB -0.199 30.196 30.300 0.158 0.000 0.856 136 R HN 0.188 nan 8.270 nan 0.000 0.436 137 R N 0.480 120.954 120.500 -0.043 0.000 2.189 137 R HA 0.002 4.479 4.340 0.228 0.000 0.223 137 R C 1.591 177.705 176.300 -0.309 0.000 1.092 137 R CA 0.790 56.802 56.100 -0.147 0.000 0.989 137 R CB 0.035 30.146 30.300 -0.314 0.000 0.876 137 R HN 0.222 nan 8.270 nan 0.000 0.457 138 L N -0.607 120.396 121.223 -0.367 0.000 2.700 138 L HA 0.146 4.623 4.340 0.228 0.000 0.234 138 L C 0.352 177.042 176.870 -0.300 0.000 1.156 138 L CA -0.395 54.242 54.840 -0.338 0.000 0.946 138 L CB 0.213 42.056 42.059 -0.360 0.000 1.216 138 L HN 0.225 nan 8.230 nan 0.000 0.493 139 C N 0.778 119.922 119.300 -0.260 0.000 4.259 139 C HA -0.191 4.406 4.460 0.228 0.000 0.294 139 C C 0.851 175.272 174.990 -0.949 0.000 1.459 139 C CA 0.491 59.214 59.018 -0.492 0.000 2.016 139 C CB -2.464 24.974 27.740 -0.502 0.000 1.274 139 C HN 0.620 nan 8.230 nan 0.000 0.792 140 D N -0.548 119.572 120.400 -0.466 0.000 2.339 140 D HA 0.277 5.054 4.640 0.228 0.000 0.241 140 D C 0.394 176.652 176.300 -0.070 0.000 1.183 140 D CA -0.192 53.619 54.000 -0.315 0.000 0.859 140 D CB 0.336 41.052 40.800 -0.140 0.000 1.067 140 D HN 0.538 nan 8.370 nan 0.000 0.484 141 W N 3.682 124.947 121.300 -0.059 0.000 2.991 141 W HA 0.217 5.008 4.660 0.220 0.000 0.391 141 W C 0.349 176.852 176.519 -0.026 0.000 1.054 141 W CA -0.672 56.636 57.345 -0.060 0.000 1.856 141 W CB -0.471 28.926 29.460 -0.105 0.000 1.132 141 W HN 0.152 nan 8.180 nan 0.000 0.601 142 R N 1.430 122.021 120.500 0.151 0.000 2.502 142 R HA 0.209 4.686 4.340 0.228 0.000 0.292 142 R C 1.240 177.597 176.300 0.094 0.000 0.998 142 R CA 0.934 57.099 56.100 0.108 0.000 1.056 142 R CB 0.166 30.509 30.300 0.072 0.000 0.939 142 R HN 0.070 nan 8.270 nan 0.000 0.411 143 A N 2.560 125.432 122.820 0.085 0.000 2.826 143 A HA -0.212 4.245 4.320 0.228 0.000 0.274 143 A C 1.181 178.795 177.584 0.050 0.000 1.443 143 A CA 0.843 52.919 52.037 0.065 0.000 0.833 143 A CB -1.569 17.472 19.000 0.067 0.000 1.023 143 A HN 0.757 nan 8.150 nan 0.000 0.600 144 L N 0.067 121.326 121.223 0.060 0.000 1.990 144 L HA -0.186 4.291 4.340 0.228 0.000 0.213 144 L C 2.062 178.931 176.870 -0.002 0.000 1.072 144 L CA 2.928 57.786 54.840 0.031 0.000 0.755 144 L CB -0.376 41.690 42.059 0.012 0.000 0.889 144 L HN 0.549 nan 8.230 nan 0.000 0.432 145 D N -1.136 119.260 120.400 -0.006 0.000 2.178 145 D HA -0.146 4.630 4.640 0.228 0.000 0.201 145 D C 2.293 178.595 176.300 0.004 0.000 0.980 145 D CA 1.489 55.481 54.000 -0.013 0.000 0.842 145 D CB -0.113 40.679 40.800 -0.013 0.000 0.948 145 D HN 0.302 nan 8.370 nan 0.000 0.472 146 V N 0.967 120.892 119.914 0.019 0.000 2.453 146 V HA -0.142 4.115 4.120 0.228 0.000 0.247 146 V C 2.557 178.669 176.094 0.031 0.000 1.048 146 V CA 0.847 63.166 62.300 0.031 0.000 1.049 146 V CB -0.228 31.622 31.823 0.045 0.000 0.672 146 V HN 0.172 nan 8.190 nan 0.000 0.457 147 L N -0.584 120.649 121.223 0.016 0.000 2.072 147 L HA -0.107 4.370 4.340 0.228 0.000 0.205 147 L C 2.683 179.559 176.870 0.010 0.000 1.079 147 L CA 1.631 56.469 54.840 -0.004 0.000 0.752 147 L CB -0.648 41.386 42.059 -0.041 0.000 0.906 147 L HN 0.327 nan 8.230 nan 0.000 0.436 148 S N -0.221 115.483 115.700 0.006 0.000 2.368 148 S HA -0.190 4.417 4.470 0.228 0.000 0.225 148 S C 2.147 176.769 174.600 0.037 0.000 1.030 148 S CA 1.290 59.496 58.200 0.010 0.000 0.999 148 S CB -0.095 63.087 63.200 -0.030 0.000 0.844 148 S HN 0.435 nan 8.310 nan 0.000 0.459 149 A N 0.909 123.744 122.820 0.026 0.000 1.865 149 A HA -0.220 4.237 4.320 0.228 0.000 0.217 149 A C 2.150 179.762 177.584 0.047 0.000 1.191 149 A CA 2.024 54.081 52.037 0.034 0.000 0.623 149 A CB -1.106 17.908 19.000 0.024 0.000 0.826 149 A HN 0.709 nan 8.150 nan 0.000 0.444 150 Q N -0.458 119.369 119.800 0.046 0.000 2.135 150 Q HA -0.137 4.340 4.340 0.228 0.000 0.204 150 Q C 1.946 177.978 176.000 0.054 0.000 0.981 150 Q CA 1.901 57.734 55.803 0.049 0.000 0.856 150 Q CB -0.192 28.582 28.738 0.060 0.000 0.902 150 Q HN 0.447 nan 8.270 nan 0.000 0.425 151 V N 0.570 120.527 119.914 0.072 0.000 2.323 151 V HA -0.227 4.030 4.120 0.228 0.000 0.244 151 V C 2.264 178.429 176.094 0.118 0.000 1.041 151 V CA 1.922 64.281 62.300 0.097 0.000 1.025 151 V CB -0.499 31.415 31.823 0.151 0.000 0.656 151 V HN 0.342 nan 8.190 nan 0.000 0.451 152 R N 0.389 121.003 120.500 0.189 0.000 2.091 152 R HA -0.156 4.321 4.340 0.228 0.000 0.238 152 R C 2.446 178.778 176.300 0.054 0.000 1.136 152 R CA 1.520 57.734 56.100 0.190 0.000 0.959 152 R CB -0.676 29.736 30.300 0.186 0.000 0.856 152 R HN 0.533 nan 8.270 nan 0.000 0.437 153 A N 1.352 124.194 122.820 0.038 0.000 1.908 153 A HA -0.167 4.290 4.320 0.228 0.000 0.218 153 A C 2.392 179.968 177.584 -0.014 0.000 1.181 153 A CA 1.841 53.885 52.037 0.011 0.000 0.627 153 A CB -0.714 18.297 19.000 0.017 0.000 0.818 153 A HN 0.418 nan 8.150 nan 0.000 0.445 154 A N -0.800 122.010 122.820 -0.017 0.000 1.930 154 A HA 0.050 4.507 4.320 0.228 0.000 0.217 154 A C 2.190 179.714 177.584 -0.100 0.000 1.175 154 A CA 1.689 53.701 52.037 -0.041 0.000 0.627 154 A CB -0.744 18.242 19.000 -0.023 0.000 0.815 154 A HN 0.393 nan 8.150 nan 0.000 0.443 155 V N -0.307 119.510 119.914 -0.162 0.000 2.453 155 V HA -0.175 4.082 4.120 0.228 0.000 0.247 155 V C 2.985 178.981 176.094 -0.164 0.000 1.048 155 V CA 1.657 63.797 62.300 -0.268 0.000 1.049 155 V CB -1.032 30.458 31.823 -0.555 0.000 0.672 155 V HN 0.591 nan 8.190 nan 0.000 0.457 156 A N 0.544 123.307 122.820 -0.095 0.000 1.972 156 A HA -0.246 4.211 4.320 0.228 0.000 0.219 156 A C 2.228 179.780 177.584 -0.052 0.000 1.169 156 A CA 1.890 53.892 52.037 -0.058 0.000 0.635 156 A CB -0.287 18.697 19.000 -0.027 0.000 0.810 156 A HN 0.763 nan 8.150 nan 0.000 0.446 157 Q N -1.333 118.435 119.800 -0.052 0.000 2.324 157 Q HA 0.299 4.776 4.340 0.228 0.000 0.207 157 Q C 1.122 177.085 176.000 -0.061 0.000 0.928 157 Q CA 0.312 56.088 55.803 -0.046 0.000 0.890 157 Q CB -0.881 27.838 28.738 -0.032 0.000 1.001 157 Q HN 0.551 nan 8.270 nan 0.000 0.517 158 G N 2.257 111.010 108.800 -0.080 0.000 2.780 158 G HA2 -0.181 3.916 3.960 0.228 0.000 0.343 158 G HA3 -0.181 3.916 3.960 0.228 0.000 0.343 158 G C 0.544 175.396 174.900 -0.080 0.000 0.120 158 G CA 0.325 45.368 45.100 -0.096 0.000 1.237 158 G HN 0.698 nan 8.290 nan 0.000 0.526 159 V N 1.610 121.483 119.914 -0.069 0.000 4.112 159 V HA -0.246 4.011 4.120 0.228 0.000 0.233 159 V C 2.509 178.566 176.094 -0.062 0.000 0.458 159 V CA 2.889 65.156 62.300 -0.056 0.000 0.909 159 V CB -1.656 30.145 31.823 -0.038 0.000 0.963 159 V HN 3.074 nan 8.190 nan 0.000 1.260 160 G N -1.876 106.866 108.800 -0.097 0.000 2.345 160 G HA2 -0.056 4.041 3.960 0.228 0.000 0.218 160 G HA3 -0.056 4.041 3.960 0.228 0.000 0.218 160 G C 1.149 175.986 174.900 -0.105 0.000 1.058 160 G CA 1.034 46.066 45.100 -0.113 0.000 0.632 160 G HN 2.039 nan 8.290 nan 0.000 0.508 161 A N 0.466 123.247 122.820 -0.065 0.000 1.935 161 A HA -0.012 4.445 4.320 0.228 0.000 0.224 161 A C 1.734 179.350 177.584 0.055 0.000 1.324 161 A CA 2.422 54.474 52.037 0.026 0.000 0.686 161 A CB -1.200 17.915 19.000 0.192 0.000 0.837 161 A HN 1.495 nan 8.150 nan 0.000 0.481 162 V N 1.504 121.406 119.914 -0.020 0.000 2.617 162 V HA 0.047 4.303 4.120 0.228 0.000 0.304 162 V C 0.477 176.518 176.094 -0.087 0.000 1.040 162 V CA -0.079 62.194 62.300 -0.046 0.000 1.149 162 V CB 0.377 32.098 31.823 -0.170 0.000 0.914 162 V HN 0.447 nan 8.190 nan 0.000 0.487 163 E N 7.127 127.328 120.200 0.002 0.000 2.223 163 E HA 0.178 4.665 4.350 0.228 0.000 0.282 163 E C -1.631 174.987 176.600 0.031 0.000 1.046 163 E CA -2.006 54.399 56.400 0.007 0.000 0.857 163 E CB 1.636 31.408 29.700 0.119 0.000 1.055 163 E HN 0.421 nan 8.360 nan 0.000 0.409 164 P HA -0.103 nan 4.420 nan 0.000 0.221 164 P C 1.243 178.729 177.300 0.310 0.000 1.150 164 P CA 0.698 63.806 63.100 0.012 0.000 0.800 164 P CB 0.074 31.578 31.700 -0.326 0.000 0.787 165 F N 1.222 121.338 119.950 0.278 0.000 2.031 165 F HA -0.153 4.509 4.527 0.226 0.000 0.295 165 F C 2.337 178.255 175.800 0.197 0.000 1.133 165 F CA 1.782 60.000 58.000 0.363 0.000 1.188 165 F CB -0.953 38.263 39.000 0.360 0.000 0.974 165 F HN -0.122 nan 8.300 nan 0.000 0.473 166 A N 0.134 123.093 122.820 0.232 0.000 1.903 166 A HA -0.332 4.125 4.320 0.228 0.000 0.219 166 A C 2.144 179.755 177.584 0.046 0.000 1.191 166 A CA 1.985 54.076 52.037 0.089 0.000 0.638 166 A CB -1.843 17.250 19.000 0.155 0.000 0.823 166 A HN 0.563 nan 8.150 nan 0.000 0.451 167 F N 0.314 120.234 119.950 -0.050 0.000 2.373 167 F HA -0.115 4.551 4.527 0.230 0.000 0.300 167 F C 1.772 177.497 175.800 -0.124 0.000 1.080 167 F CA 1.072 59.028 58.000 -0.075 0.000 1.417 167 F CB -0.260 38.698 39.000 -0.070 0.000 1.070 167 F HN 0.162 nan 8.300 nan 0.000 0.546 168 L N -0.963 120.149 121.223 -0.185 0.000 2.191 168 L HA -0.229 4.248 4.340 0.228 0.000 0.212 168 L C 2.288 178.967 176.870 -0.319 0.000 1.103 168 L CA 1.309 55.926 54.840 -0.372 0.000 0.769 168 L CB -0.717 40.965 42.059 -0.628 0.000 0.908 168 L HN -0.001 nan 8.230 nan 0.000 0.438 169 S N -1.207 114.392 115.700 -0.169 0.000 2.507 169 S HA -0.026 4.581 4.470 0.228 0.000 0.235 169 S C 0.685 175.187 174.600 -0.164 0.000 0.988 169 S CA 0.532 58.714 58.200 -0.030 0.000 0.944 169 S CB -0.236 62.990 63.200 0.044 0.000 0.762 169 S HN 0.321 nan 8.310 nan 0.000 0.526 170 E N 1.581 121.572 120.200 -0.348 0.000 2.318 170 E HA 0.176 4.663 4.350 0.228 0.000 0.265 170 E C -0.078 176.288 176.600 -0.390 0.000 1.069 170 E CA -0.476 55.678 56.400 -0.409 0.000 0.893 170 E CB 0.322 29.618 29.700 -0.675 0.000 1.076 170 E HN 0.011 nan 8.360 nan 0.000 0.414 171 D N 0.620 120.848 120.400 -0.287 0.000 2.332 171 D HA 0.063 4.840 4.640 0.228 0.000 0.244 171 D C -0.029 176.141 176.300 -0.217 0.000 1.136 171 D CA 0.051 53.921 54.000 -0.216 0.000 0.884 171 D CB 0.087 40.808 40.800 -0.131 0.000 0.906 171 D HN 0.352 nan 8.370 nan 0.000 0.520 172 A N 0.570 123.189 122.820 -0.334 0.000 2.425 172 A HA 0.272 4.729 4.320 0.228 0.000 0.242 172 A C 0.980 178.455 177.584 -0.183 0.000 1.077 172 A CA -0.297 51.590 52.037 -0.250 0.000 0.781 172 A CB 0.469 19.228 19.000 -0.403 0.000 1.020 172 A HN 0.238 nan 8.150 nan 0.000 0.494 173 S N 0.963 116.586 115.700 -0.127 0.000 2.634 173 S HA 0.488 5.095 4.470 0.228 0.000 0.261 173 S C 1.401 175.886 174.600 -0.191 0.000 1.271 173 S CA -0.087 58.010 58.200 -0.171 0.000 0.985 173 S CB 0.807 63.876 63.200 -0.217 0.000 0.968 173 S HN 1.697 nan 8.310 nan 0.000 0.568 174 A N 1.345 123.999 122.820 -0.276 0.000 1.892 174 A HA 0.047 4.504 4.320 0.228 0.000 0.218 174 A C 2.492 179.899 177.584 -0.295 0.000 1.188 174 A CA 2.292 54.181 52.037 -0.247 0.000 0.631 174 A CB -1.906 16.984 19.000 -0.182 0.000 0.822 174 A HN 1.482 nan 8.150 nan 0.000 0.447 175 A N -0.251 122.173 122.820 -0.661 0.000 1.927 175 A HA -0.262 4.195 4.320 0.228 0.000 0.220 175 A C 1.923 179.455 177.584 -0.087 0.000 1.185 175 A CA 1.971 53.822 52.037 -0.310 0.000 0.639 175 A CB -0.601 18.180 19.000 -0.364 0.000 0.820 175 A HN 0.707 nan 8.150 nan 0.000 0.451 176 E N -0.825 119.342 120.200 -0.055 0.000 2.112 176 E HA -0.166 4.321 4.350 0.228 0.000 0.190 176 E C 2.298 178.977 176.600 0.131 0.000 0.979 176 E CA 1.016 57.458 56.400 0.070 0.000 0.814 176 E CB -0.192 29.629 29.700 0.203 0.000 0.762 176 E HN 0.755 nan 8.360 nan 0.000 0.460 177 Q N 0.587 120.491 119.800 0.173 0.000 2.050 177 Q HA -0.178 4.299 4.340 0.228 0.000 0.202 177 Q C 2.337 178.342 176.000 0.008 0.000 0.980 177 Q CA 0.980 56.884 55.803 0.168 0.000 0.840 177 Q CB -0.181 28.607 28.738 0.083 0.000 0.898 177 Q HN 0.162 nan 8.270 nan 0.000 0.424 178 L N 1.020 122.227 121.223 -0.026 0.000 1.990 178 L HA -0.237 4.240 4.340 0.228 0.000 0.213 178 L C 2.185 179.015 176.870 -0.067 0.000 1.072 178 L CA 2.389 57.203 54.840 -0.044 0.000 0.755 178 L CB -1.095 40.972 42.059 0.012 0.000 0.889 178 L HN 0.170 nan 8.230 nan 0.000 0.432 179 A N -1.194 121.585 122.820 -0.068 0.000 1.892 179 A HA -0.334 4.123 4.320 0.228 0.000 0.218 179 A C 2.576 180.052 177.584 -0.181 0.000 1.188 179 A CA 2.094 54.066 52.037 -0.107 0.000 0.631 179 A CB -1.741 17.197 19.000 -0.104 0.000 0.822 179 A HN 0.739 nan 8.150 nan 0.000 0.447 180 C N -0.768 118.374 119.300 -0.264 0.000 2.413 180 C HA 0.060 4.657 4.460 0.228 0.000 0.277 180 C C 3.133 177.925 174.990 -0.329 0.000 1.265 180 C CA 1.357 60.149 59.018 -0.376 0.000 1.752 180 C CB -1.397 26.001 27.740 -0.571 0.000 1.998 180 C HN 0.672 nan 8.230 nan 0.000 0.489 181 A N 0.303 122.973 122.820 -0.250 0.000 1.872 181 A HA -0.068 4.389 4.320 0.228 0.000 0.214 181 A C 2.237 179.706 177.584 -0.192 0.000 1.187 181 A CA 1.466 53.342 52.037 -0.269 0.000 0.614 181 A CB -0.642 18.326 19.000 -0.052 0.000 0.826 181 A HN 0.693 nan 8.150 nan 0.000 0.442 182 R N -0.706 119.715 120.500 -0.131 0.000 2.094 182 R HA -0.127 4.350 4.340 0.228 0.000 0.239 182 R C 2.362 178.596 176.300 -0.111 0.000 1.137 182 R CA 2.208 58.245 56.100 -0.107 0.000 0.943 182 R CB -0.993 29.254 30.300 -0.087 0.000 0.850 182 R HN 0.529 nan 8.270 nan 0.000 0.433 183 T N 0.175 114.644 114.554 -0.141 0.000 2.635 183 T HA -0.228 4.259 4.350 0.228 0.000 0.267 183 T C 1.785 176.401 174.700 -0.139 0.000 1.040 183 T CA 1.807 63.828 62.100 -0.131 0.000 1.156 183 T CB -0.250 68.523 68.868 -0.158 0.000 0.863 183 T HN 0.247 nan 8.240 nan 0.000 0.430 184 R N 0.903 121.254 120.500 -0.247 0.000 2.096 184 R HA 0.001 4.478 4.340 0.228 0.000 0.235 184 R C 2.456 178.706 176.300 -0.083 0.000 1.127 184 R CA 1.433 57.343 56.100 -0.318 0.000 0.968 184 R CB -0.509 29.333 30.300 -0.764 0.000 0.861 184 R HN 0.380 nan 8.270 nan 0.000 0.440 185 A N 0.096 122.931 122.820 0.026 0.000 1.930 185 A HA -0.168 4.288 4.320 0.228 0.000 0.217 185 A C 2.020 179.749 177.584 0.241 0.000 1.175 185 A CA 1.322 53.525 52.037 0.277 0.000 0.627 185 A CB -0.391 18.584 19.000 -0.042 0.000 0.815 185 A HN 0.475 nan 8.150 nan 0.000 0.443 186 Q N -0.616 119.237 119.800 0.090 0.000 2.124 186 Q HA -0.091 4.386 4.340 0.228 0.000 0.202 186 Q C 2.375 178.438 176.000 0.105 0.000 0.977 186 Q CA 1.317 57.170 55.803 0.084 0.000 0.850 186 Q CB -0.385 28.364 28.738 0.018 0.000 0.901 186 Q HN 0.688 nan 8.270 nan 0.000 0.429 187 A N 0.483 123.353 122.820 0.082 0.000 1.978 187 A HA -0.183 4.274 4.320 0.228 0.000 0.220 187 A C 1.947 179.599 177.584 0.113 0.000 1.170 187 A CA 1.227 53.306 52.037 0.069 0.000 0.636 187 A CB -0.441 18.575 19.000 0.027 0.000 0.810 187 A HN 0.317 nan 8.150 nan 0.000 0.448 188 I N -0.841 119.854 120.570 0.208 0.000 2.339 188 I HA -0.111 4.196 4.170 0.228 0.000 0.245 188 I C 2.865 179.080 176.117 0.162 0.000 1.096 188 I CA 0.849 62.268 61.300 0.197 0.000 1.408 188 I CB -0.213 37.971 38.000 0.308 0.000 1.092 188 I HN 0.294 nan 8.210 nan 0.000 0.423 189 A N 0.677 123.687 122.820 0.318 0.000 2.019 189 A HA -0.148 4.309 4.320 0.228 0.000 0.219 189 A C 2.448 180.108 177.584 0.126 0.000 1.164 189 A CA 1.781 53.977 52.037 0.265 0.000 0.644 189 A CB -0.719 18.509 19.000 0.381 0.000 0.805 189 A HN 0.432 nan 8.150 nan 0.000 0.449 190 A N 0.094 122.976 122.820 0.103 0.000 1.929 190 A HA 0.035 4.492 4.320 0.228 0.000 0.216 190 A C 1.973 179.581 177.584 0.039 0.000 1.176 190 A CA 1.655 53.728 52.037 0.059 0.000 0.628 190 A CB -0.575 18.454 19.000 0.048 0.000 0.816 190 A HN 1.008 nan 8.150 nan 0.000 0.444 191 S N -1.079 114.643 115.700 0.036 0.000 2.519 191 S HA 0.552 5.159 4.470 0.228 0.000 0.245 191 S C -0.364 174.237 174.600 0.001 0.000 1.152 191 S CA -0.380 57.831 58.200 0.019 0.000 1.175 191 S CB -0.102 63.112 63.200 0.023 0.000 0.829 191 S HN 0.345 nan 8.310 nan 0.000 0.472 192 V N 0.878 120.788 119.914 -0.006 0.000 2.950 192 V HA 0.479 4.736 4.120 0.228 0.000 0.295 192 V C -1.221 174.858 176.094 -0.026 0.000 1.297 192 V CA -0.806 61.473 62.300 -0.034 0.000 0.962 192 V CB 2.400 34.171 31.823 -0.088 0.000 1.081 192 V HN 0.580 nan 8.190 nan 0.000 0.432 193 R N 5.743 126.224 120.500 -0.031 0.000 2.246 193 R HA 0.593 5.070 4.340 0.228 0.000 0.332 193 R C -2.543 173.732 176.300 -0.041 0.000 0.974 193 R CA -1.594 54.491 56.100 -0.025 0.000 0.837 193 R CB 1.684 31.974 30.300 -0.016 0.000 1.145 193 R HN 0.464 nan 8.270 nan 0.000 0.467 194 P HA -0.073 nan 4.420 nan 0.000 0.266 194 P C -0.329 176.943 177.300 -0.047 0.000 1.193 194 P CA 0.095 63.165 63.100 -0.050 0.000 0.770 194 P CB 0.532 32.219 31.700 -0.022 0.000 0.836 195 L N 1.097 122.283 121.223 -0.062 0.000 2.476 195 L HA 0.207 4.684 4.340 0.228 0.000 0.264 195 L C 1.029 177.875 176.870 -0.039 0.000 1.224 195 L CA -0.755 54.053 54.840 -0.054 0.000 0.821 195 L CB -0.096 41.920 42.059 -0.071 0.000 1.101 195 L HN 0.427 nan 8.230 nan 0.000 0.488 196 A N 2.855 125.655 122.820 -0.032 0.000 2.546 196 A HA 0.242 4.699 4.320 0.228 0.000 0.243 196 A C -1.967 175.602 177.584 -0.024 0.000 1.063 196 A CA -0.938 51.085 52.037 -0.023 0.000 0.757 196 A CB -0.889 18.099 19.000 -0.020 0.000 0.991 196 A HN 0.466 nan 8.150 nan 0.000 0.503 197 P HA 0.182 nan 4.420 nan 0.000 0.267 197 P C 0.048 177.341 177.300 -0.013 0.000 1.201 197 P CA 0.281 63.374 63.100 -0.012 0.000 0.775 197 P CB 0.656 32.355 31.700 -0.002 0.000 0.854 198 T N 1.097 115.644 114.554 -0.013 0.000 2.841 198 T HA 0.532 5.019 4.350 0.228 0.000 0.296 198 T C -0.571 174.130 174.700 0.001 0.000 1.166 198 T CA -0.668 61.424 62.100 -0.013 0.000 1.007 198 T CB 1.595 70.444 68.868 -0.031 0.000 1.253 198 T HN 0.310 nan 8.240 nan 0.000 0.511 199 R N 0.225 120.730 120.500 0.009 0.000 2.888 199 R HA 0.709 5.186 4.340 0.228 0.000 0.266 199 R C -0.979 175.337 176.300 0.026 0.000 1.020 199 R CA -0.866 55.252 56.100 0.031 0.000 0.963 199 R CB 1.532 31.860 30.300 0.048 0.000 1.197 199 R HN 0.365 nan 8.270 nan 0.000 0.481 200 V N 3.288 123.229 119.914 0.045 0.000 2.599 200 V HA -0.016 4.241 4.120 0.228 0.000 0.300 200 V C 0.759 176.911 176.094 0.098 0.000 1.034 200 V CA 0.054 62.381 62.300 0.045 0.000 1.115 200 V CB -0.084 31.780 31.823 0.069 0.000 0.934 200 V HN 0.707 nan 8.190 nan 0.000 0.485 201 R N 3.580 124.136 120.500 0.093 0.000 2.583 201 R HA 0.033 4.509 4.340 0.228 0.000 0.274 201 R C 1.163 177.629 176.300 0.277 0.000 0.998 201 R CA 0.564 56.752 56.100 0.148 0.000 1.081 201 R CB 0.080 30.461 30.300 0.135 0.000 0.940 201 R HN 0.786 nan 8.270 nan 0.000 0.413 202 S N 1.438 117.248 115.700 0.183 0.000 2.461 202 S HA 0.033 4.640 4.470 0.228 0.000 0.228 202 S C 0.235 174.899 174.600 0.106 0.000 1.005 202 S CA 0.464 58.754 58.200 0.150 0.000 0.942 202 S CB 0.183 63.421 63.200 0.063 0.000 0.776 202 S HN 0.599 nan 8.310 nan 0.000 0.514 203 K N 0.746 121.236 120.400 0.151 0.000 2.498 203 K HA 0.661 5.118 4.320 0.228 0.000 0.254 203 K C 0.048 176.771 176.600 0.205 0.000 0.933 203 K CA 0.290 56.633 56.287 0.094 0.000 0.806 203 K CB 1.597 34.113 32.500 0.027 0.000 1.301 203 K HN 0.404 nan 8.250 nan 0.000 0.432 204 G N 2.505 111.446 108.800 0.235 0.000 2.555 204 G HA2 -0.101 3.996 3.960 0.228 0.000 0.686 204 G HA3 -0.101 3.996 3.960 0.228 0.000 0.686 204 G C -3.089 172.054 174.900 0.406 0.000 1.275 204 G CA -1.182 44.067 45.100 0.249 0.000 0.871 204 G HN 0.327 nan 8.290 nan 0.000 0.603 205 P HA 0.393 nan 4.420 nan 0.000 0.268 205 P C 0.034 177.392 177.300 0.097 0.000 1.204 205 P CA -0.375 62.864 63.100 0.232 0.000 0.768 205 P CB 0.898 32.690 31.700 0.152 0.000 0.842 206 L N 4.725 125.890 121.223 -0.097 0.000 2.410 206 L HA 0.133 4.610 4.340 0.228 0.000 0.273 206 L C 0.835 177.650 176.870 -0.092 0.000 1.152 206 L CA 0.341 54.993 54.840 -0.313 0.000 0.855 206 L CB -0.158 41.507 42.059 -0.656 0.000 1.129 206 L HN 0.284 nan 8.230 nan 0.000 0.463 207 R N 4.856 125.323 120.500 -0.054 0.000 2.207 207 R HA 0.534 5.011 4.340 0.228 0.000 0.334 207 R C -1.220 175.116 176.300 0.060 0.000 1.013 207 R CA -0.754 55.385 56.100 0.064 0.000 0.858 207 R CB 1.000 31.313 30.300 0.023 0.000 1.094 207 R HN 0.367 nan 8.270 nan 0.000 0.457 208 V N 1.860 121.881 119.914 0.178 0.000 2.495 208 V HA 0.639 4.896 4.120 0.228 0.000 0.298 208 V C 0.439 176.677 176.094 0.239 0.000 1.031 208 V CA -0.789 61.609 62.300 0.163 0.000 0.871 208 V CB 1.954 33.909 31.823 0.220 0.000 0.988 208 V HN 0.961 nan 8.190 nan 0.000 0.432 209 G N 2.971 111.822 108.800 0.085 0.000 2.524 209 G HA2 0.790 4.886 3.960 0.228 0.000 0.310 209 G HA3 0.790 4.886 3.960 0.228 0.000 0.310 209 G C -1.569 173.420 174.900 0.148 0.000 1.279 209 G CA -0.456 44.843 45.100 0.332 0.000 0.974 209 G HN 0.430 nan 8.290 nan 0.000 0.484 210 F N 0.887 121.236 119.950 0.665 0.000 2.539 210 F HA 0.468 5.132 4.527 0.229 0.000 0.318 210 F C -0.108 176.149 175.800 0.762 0.000 1.135 210 F CA -1.040 57.395 58.000 0.725 0.000 0.915 210 F CB 2.784 42.226 39.000 0.737 0.000 1.176 210 F HN 0.238 nan 8.300 nan 0.000 0.440 211 V N 2.473 122.859 119.914 0.786 0.000 2.370 211 V HA 0.703 4.960 4.120 0.228 0.000 0.283 211 V C -0.362 175.929 176.094 0.328 0.000 1.023 211 V CA -0.260 62.389 62.300 0.582 0.000 0.857 211 V CB 1.472 33.588 31.823 0.488 0.000 0.985 211 V HN 0.801 nan 8.190 nan 0.000 0.443 212 S N 2.948 118.673 115.700 0.042 0.000 2.537 212 S HA 0.316 4.923 4.470 0.228 0.000 0.271 212 S C 0.447 174.850 174.600 -0.329 0.000 1.148 212 S CA -0.313 57.685 58.200 -0.336 0.000 0.868 212 S CB 1.499 64.144 63.200 -0.924 0.000 1.115 212 S HN 0.952 nan 8.310 nan 0.000 0.461 213 N N 1.667 120.217 118.700 -0.250 0.000 2.398 213 N HA 0.155 5.032 4.740 0.228 0.000 0.188 213 N C 0.981 176.278 175.510 -0.354 0.000 1.122 213 N CA 0.100 53.018 53.050 -0.220 0.000 0.866 213 N CB 0.089 38.478 38.487 -0.164 0.000 0.970 213 N HN 0.493 nan 8.380 nan 0.000 0.462 214 G N -0.045 108.494 108.800 -0.435 0.000 3.609 214 G HA2 0.167 4.264 3.960 0.228 0.000 0.280 214 G HA3 0.167 4.264 3.960 0.228 0.000 0.280 214 G C -0.720 174.145 174.900 -0.059 0.000 1.155 214 G CA -0.517 44.374 45.100 -0.348 0.000 0.876 214 G HN 0.161 nan 8.290 nan 0.000 0.535 215 F N 1.930 121.929 119.950 0.080 0.000 2.509 215 F HA 0.558 5.222 4.527 0.228 0.000 0.350 215 F C 1.085 176.955 175.800 0.117 0.000 1.220 215 F CA -0.275 57.777 58.000 0.086 0.000 1.151 215 F CB 0.523 39.552 39.000 0.048 0.000 1.379 215 F HN 0.288 nan 8.300 nan 0.000 0.610 216 G N 1.203 110.184 108.800 0.301 0.000 2.373 216 G HA2 0.344 4.441 3.960 0.228 0.000 0.250 216 G HA3 0.344 4.441 3.960 0.228 0.000 0.250 216 G C -0.956 173.967 174.900 0.040 0.000 1.304 216 G CA -0.367 44.833 45.100 0.167 0.000 0.948 216 G HN 0.523 nan 8.290 nan 0.000 0.474 217 A N 1.043 123.758 122.820 -0.175 0.000 3.046 217 A HA 0.575 5.031 4.320 0.228 0.000 0.259 217 A C 0.258 177.521 177.584 -0.536 0.000 1.843 217 A CA 0.407 52.256 52.037 -0.312 0.000 1.451 217 A CB -1.207 17.628 19.000 -0.274 0.000 1.025 217 A HN 0.656 nan 8.150 nan 0.000 0.625 218 H N -0.990 118.044 119.070 -0.060 0.000 2.980 218 H HA 0.229 4.922 4.556 0.228 0.000 0.367 218 H C -2.161 173.122 175.328 -0.075 0.000 1.206 218 H CA -1.697 54.317 56.048 -0.057 0.000 1.126 218 H CB 1.372 31.111 29.762 -0.038 0.000 1.838 218 H HN 0.026 nan 8.280 nan 0.000 0.552 219 P HA -0.206 nan 4.420 nan 0.000 0.217 219 P C 1.297 178.593 177.300 -0.007 0.000 1.162 219 P CA 2.286 65.399 63.100 0.023 0.000 0.901 219 P CB -0.035 31.708 31.700 0.072 0.000 0.793 220 T N -0.990 113.566 114.554 0.002 0.000 2.635 220 T HA -0.151 4.336 4.350 0.228 0.000 0.267 220 T C 2.031 176.757 174.700 0.044 0.000 1.040 220 T CA 1.953 64.034 62.100 -0.032 0.000 1.156 220 T CB -1.467 67.326 68.868 -0.125 0.000 0.863 220 T HN 0.243 nan 8.240 nan 0.000 0.430 221 G N 1.088 109.960 108.800 0.121 0.000 2.422 221 G HA2 -0.142 3.955 3.960 0.228 0.000 0.218 221 G HA3 -0.142 3.955 3.960 0.228 0.000 0.218 221 G C 1.480 176.395 174.900 0.025 0.000 1.146 221 G CA 0.499 45.709 45.100 0.184 0.000 0.769 221 G HN 0.348 nan 8.290 nan 0.000 0.547 222 L N 0.199 121.389 121.223 -0.054 0.000 2.109 222 L HA 0.268 4.745 4.340 0.228 0.000 0.207 222 L C 2.669 179.443 176.870 -0.160 0.000 1.086 222 L CA 1.076 55.831 54.840 -0.142 0.000 0.760 222 L CB -0.478 41.453 42.059 -0.214 0.000 0.910 222 L HN 0.186 nan 8.230 nan 0.000 0.437 223 L N -1.237 119.888 121.223 -0.163 0.000 2.179 223 L HA -0.105 4.372 4.340 0.228 0.000 0.208 223 L C 2.124 178.790 176.870 -0.341 0.000 1.096 223 L CA 1.481 56.173 54.840 -0.247 0.000 0.779 223 L CB -0.615 41.288 42.059 -0.260 0.000 0.922 223 L HN 0.425 nan 8.230 nan 0.000 0.443 224 T N -4.946 109.431 114.554 -0.295 0.000 3.044 224 T HA 0.000 4.487 4.350 0.228 0.000 0.250 224 T C 1.687 176.138 174.700 -0.416 0.000 1.081 224 T CA 0.447 62.264 62.100 -0.471 0.000 1.040 224 T CB 0.090 68.710 68.868 -0.413 0.000 0.962 224 T HN 0.047 nan 8.240 nan 0.000 0.506 225 V N 2.068 121.873 119.914 -0.182 0.000 2.261 225 V HA 0.007 4.264 4.120 0.228 0.000 0.246 225 V C 2.920 178.937 176.094 -0.129 0.000 1.047 225 V CA 2.192 64.450 62.300 -0.069 0.000 1.015 225 V CB -1.179 30.617 31.823 -0.046 0.000 0.642 225 V HN 0.624 nan 8.190 nan 0.000 0.446 226 A N -0.464 122.234 122.820 -0.203 0.000 2.015 226 A HA -0.116 4.341 4.320 0.228 0.000 0.219 226 A C 2.086 179.540 177.584 -0.216 0.000 1.163 226 A CA 1.853 53.776 52.037 -0.191 0.000 0.646 226 A CB -0.652 18.215 19.000 -0.222 0.000 0.806 226 A HN 0.615 nan 8.150 nan 0.000 0.448 227 L N -1.288 119.722 121.223 -0.355 0.000 1.994 227 L HA -0.079 4.398 4.340 0.228 0.000 0.208 227 L C 2.107 178.799 176.870 -0.296 0.000 1.071 227 L CA 2.056 56.647 54.840 -0.414 0.000 0.745 227 L CB -0.887 40.744 42.059 -0.714 0.000 0.892 227 L HN 0.313 nan 8.230 nan 0.000 0.431 228 F N 0.601 120.424 119.950 -0.211 0.000 2.134 228 F HA -0.157 4.507 4.527 0.229 0.000 0.299 228 F C 2.509 178.235 175.800 -0.124 0.000 1.097 228 F CA 1.606 59.496 58.000 -0.183 0.000 1.264 228 F CB -0.893 37.960 39.000 -0.245 0.000 1.001 228 F HN 0.241 nan 8.300 nan 0.000 0.479 229 E N -0.106 120.133 120.200 0.064 0.000 2.077 229 E HA -0.170 4.317 4.350 0.228 0.000 0.193 229 E C 2.410 179.015 176.600 0.008 0.000 0.989 229 E CA 1.058 57.466 56.400 0.013 0.000 0.800 229 E CB -0.352 29.336 29.700 -0.020 0.000 0.746 229 E HN 0.342 nan 8.360 nan 0.000 0.452 230 A N 0.965 123.778 122.820 -0.011 0.000 1.930 230 A HA -0.136 4.321 4.320 0.228 0.000 0.217 230 A C 2.152 179.766 177.584 0.049 0.000 1.175 230 A CA 0.976 53.018 52.037 0.008 0.000 0.627 230 A CB -0.509 18.487 19.000 -0.006 0.000 0.815 230 A HN 0.132 nan 8.150 nan 0.000 0.443 231 L N -0.647 120.618 121.223 0.071 0.000 2.093 231 L HA -0.220 4.257 4.340 0.228 0.000 0.208 231 L C 2.877 179.809 176.870 0.103 0.000 1.085 231 L CA 1.631 56.545 54.840 0.123 0.000 0.755 231 L CB -0.467 41.711 42.059 0.197 0.000 0.904 231 L HN 0.683 nan 8.230 nan 0.000 0.435 232 Q N 0.401 120.248 119.800 0.078 0.000 2.124 232 Q HA -0.227 4.250 4.340 0.228 0.000 0.202 232 Q C 2.259 178.282 176.000 0.038 0.000 0.977 232 Q CA 1.605 57.434 55.803 0.044 0.000 0.850 232 Q CB 0.021 28.767 28.738 0.013 0.000 0.901 232 Q HN 0.395 nan 8.270 nan 0.000 0.429 233 R N -0.690 119.833 120.500 0.038 0.000 2.127 233 R HA 0.093 4.570 4.340 0.228 0.000 0.217 233 R C 2.153 178.481 176.300 0.047 0.000 1.074 233 R CA 1.102 57.223 56.100 0.035 0.000 0.991 233 R CB 0.227 30.543 30.300 0.027 0.000 0.895 233 R HN 0.226 nan 8.270 nan 0.000 0.450 234 R N -0.836 119.700 120.500 0.061 0.000 2.250 234 R HA 0.140 4.617 4.340 0.228 0.000 0.194 234 R C 0.188 176.536 176.300 0.080 0.000 0.927 234 R CA 0.266 56.407 56.100 0.069 0.000 1.052 234 R CB 0.725 31.071 30.300 0.076 0.000 1.055 234 R HN -0.024 nan 8.270 nan 0.000 0.537 235 Q N 0.730 120.585 119.800 0.091 0.000 2.849 235 Q HA 0.201 4.678 4.340 0.228 0.000 0.289 235 Q C -2.175 173.882 176.000 0.095 0.000 1.012 235 Q CA -1.579 54.285 55.803 0.101 0.000 0.899 235 Q CB 1.707 30.521 28.738 0.126 0.000 1.235 235 Q HN 0.104 nan 8.270 nan 0.000 0.457 236 P HA -0.060 nan 4.420 nan 0.000 0.225 236 P C 0.304 177.655 177.300 0.086 0.000 1.156 236 P CA 0.767 63.911 63.100 0.073 0.000 0.787 236 P CB 0.518 32.255 31.700 0.061 0.000 0.802 237 D N -0.462 120.002 120.400 0.106 0.000 2.363 237 D HA 0.061 4.838 4.640 0.228 0.000 0.226 237 D C 0.555 176.925 176.300 0.116 0.000 1.020 237 D CA 0.547 54.629 54.000 0.136 0.000 0.892 237 D CB -0.051 40.864 40.800 0.191 0.000 0.900 237 D HN 0.264 nan 8.370 nan 0.000 0.531 238 L N 0.948 122.226 121.223 0.092 0.000 2.313 238 L HA 0.324 4.801 4.340 0.228 0.000 0.283 238 L C 0.224 177.154 176.870 0.100 0.000 1.013 238 L CA -0.630 54.254 54.840 0.074 0.000 0.816 238 L CB 1.937 44.050 42.059 0.090 0.000 1.236 238 L HN -0.349 nan 8.230 nan 0.000 0.419 239 Q N 4.126 123.992 119.800 0.110 0.000 2.360 239 Q HA 0.423 4.900 4.340 0.228 0.000 0.254 239 Q C -0.723 175.396 176.000 0.198 0.000 0.975 239 Q CA -0.483 55.397 55.803 0.128 0.000 0.912 239 Q CB 2.020 30.872 28.738 0.189 0.000 1.212 239 Q HN 0.472 nan 8.270 nan 0.000 0.452 240 M N 2.989 122.635 119.600 0.078 0.000 2.188 240 M HA 0.327 4.944 4.480 0.228 0.000 0.357 240 M C -0.322 175.912 176.300 -0.110 0.000 1.204 240 M CA 0.026 55.399 55.300 0.122 0.000 1.095 240 M CB 0.739 33.359 32.600 0.033 0.000 1.604 240 M HN 0.452 nan 8.290 nan 0.000 0.464 241 H N 3.229 122.353 119.070 0.089 0.000 2.759 241 H HA 0.469 5.162 4.556 0.228 0.000 0.354 241 H C -1.364 173.897 175.328 -0.110 0.000 1.074 241 H CA -0.782 55.218 56.048 -0.080 0.000 1.226 241 H CB 2.391 32.125 29.762 -0.045 0.000 1.648 241 H HN 0.387 nan 8.280 nan 0.000 0.529 242 L N 3.850 124.919 121.223 -0.258 0.000 2.325 242 L HA 0.304 4.781 4.340 0.228 0.000 0.281 242 L C -0.807 175.956 176.870 -0.179 0.000 1.004 242 L CA -0.332 54.373 54.840 -0.224 0.000 0.823 242 L CB 0.582 42.201 42.059 -0.733 0.000 1.236 242 L HN 0.437 nan 8.230 nan 0.000 0.415 243 F N 3.143 123.353 119.950 0.433 0.000 2.308 243 F HA 0.616 5.280 4.527 0.228 0.000 0.370 243 F C 0.676 176.729 175.800 0.423 0.000 1.100 243 F CA -0.652 57.556 58.000 0.348 0.000 1.108 243 F CB 1.070 40.195 39.000 0.208 0.000 1.293 243 F HN 0.517 nan 8.300 nan 0.000 0.478 244 A N 1.696 124.795 122.820 0.465 0.000 2.276 244 A HA 0.475 4.932 4.320 0.228 0.000 0.300 244 A C 0.850 178.582 177.584 0.248 0.000 1.235 244 A CA -0.344 51.960 52.037 0.446 0.000 0.867 244 A CB 0.076 19.295 19.000 0.365 0.000 1.137 244 A HN 0.775 nan 8.150 nan 0.000 0.527 245 T N -0.586 114.063 114.554 0.158 0.000 3.223 245 T HA 0.403 4.890 4.350 0.228 0.000 0.259 245 T C 0.319 175.043 174.700 0.039 0.000 1.015 245 T CA 0.305 62.456 62.100 0.085 0.000 0.908 245 T CB -0.924 67.982 68.868 0.063 0.000 1.054 245 T HN 1.228 nan 8.240 nan 0.000 0.567 246 S N -0.751 114.986 115.700 0.062 0.000 2.541 246 S HA 0.778 5.385 4.470 0.228 0.000 0.271 246 S C 0.224 174.870 174.600 0.076 0.000 1.133 246 S CA -0.647 57.581 58.200 0.046 0.000 0.876 246 S CB 1.377 64.584 63.200 0.013 0.000 1.105 246 S HN 0.454 nan 8.310 nan 0.000 0.470 247 G N 0.428 109.263 108.800 0.058 0.000 2.621 247 G HA2 0.376 4.473 3.960 0.228 0.000 0.271 247 G HA3 0.376 4.473 3.960 0.228 0.000 0.271 247 G C -0.624 174.315 174.900 0.064 0.000 1.236 247 G CA -0.443 44.689 45.100 0.052 0.000 0.958 247 G HN 0.799 nan 8.290 nan 0.000 0.512 248 D N -0.326 120.101 120.400 0.046 0.000 2.401 248 D HA 0.059 4.835 4.640 0.228 0.000 0.254 248 D C 0.708 177.034 176.300 0.043 0.000 1.192 248 D CA -0.403 53.623 54.000 0.043 0.000 0.885 248 D CB 1.136 41.949 40.800 0.020 0.000 1.147 248 D HN 0.337 nan 8.370 nan 0.000 0.478 249 D N 2.402 122.834 120.400 0.052 0.000 2.339 249 D HA 0.121 4.898 4.640 0.228 0.000 0.217 249 D C 1.417 177.725 176.300 0.015 0.000 1.050 249 D CA 0.368 54.391 54.000 0.038 0.000 0.856 249 D CB -0.129 40.697 40.800 0.044 0.000 0.922 249 D HN 0.574 nan 8.370 nan 0.000 0.518 250 G N 0.511 109.319 108.800 0.013 0.000 2.184 250 G HA2 -0.311 3.786 3.960 0.228 0.000 0.264 250 G HA3 -0.311 3.786 3.960 0.228 0.000 0.264 250 G C 0.448 175.347 174.900 -0.000 0.000 0.975 250 G CA 0.561 45.663 45.100 0.005 0.000 0.642 250 G HN 0.864 nan 8.290 nan 0.000 0.536 251 S N -0.141 115.557 115.700 -0.003 0.000 2.579 251 S HA 0.476 5.083 4.470 0.228 0.000 0.275 251 S C 1.781 176.378 174.600 -0.005 0.000 1.345 251 S CA 1.002 59.197 58.200 -0.009 0.000 1.031 251 S CB 1.334 64.520 63.200 -0.024 0.000 0.892 251 S HN 1.356 nan 8.310 nan 0.000 0.529 252 T N 0.692 115.243 114.554 -0.004 0.000 2.915 252 T HA -0.050 4.437 4.350 0.228 0.000 0.269 252 T C 1.717 176.410 174.700 -0.010 0.000 1.071 252 T CA 1.013 63.110 62.100 -0.005 0.000 1.132 252 T CB -0.759 68.109 68.868 0.001 0.000 0.878 252 T HN 0.538 nan 8.240 nan 0.000 0.479 253 L N 0.554 121.771 121.223 -0.010 0.000 1.989 253 L HA -0.052 4.425 4.340 0.228 0.000 0.211 253 L C 3.120 179.990 176.870 0.001 0.000 1.071 253 L CA 1.649 56.484 54.840 -0.008 0.000 0.749 253 L CB -0.521 41.531 42.059 -0.012 0.000 0.890 253 L HN 0.211 nan 8.230 nan 0.000 0.431 254 R N -0.050 120.458 120.500 0.014 0.000 2.091 254 R HA -0.141 4.336 4.340 0.228 0.000 0.238 254 R C 2.161 178.444 176.300 -0.027 0.000 1.136 254 R CA 2.286 58.397 56.100 0.019 0.000 0.959 254 R CB -0.988 29.335 30.300 0.039 0.000 0.856 254 R HN 0.233 nan 8.270 nan 0.000 0.437 255 T N 0.404 114.942 114.554 -0.027 0.000 2.777 255 T HA -0.048 4.439 4.350 0.228 0.000 0.266 255 T C 1.795 176.461 174.700 -0.056 0.000 1.040 255 T CA 1.548 63.623 62.100 -0.041 0.000 1.141 255 T CB -0.167 68.684 68.868 -0.028 0.000 0.868 255 T HN 0.309 nan 8.240 nan 0.000 0.444 256 R N 0.500 120.971 120.500 -0.047 0.000 2.083 256 R HA 0.006 4.483 4.340 0.228 0.000 0.237 256 R C 2.474 178.723 176.300 -0.085 0.000 1.137 256 R CA 1.180 57.247 56.100 -0.055 0.000 0.951 256 R CB -0.653 29.624 30.300 -0.039 0.000 0.851 256 R HN 0.327 nan 8.270 nan 0.000 0.434 257 L N 0.209 121.373 121.223 -0.098 0.000 2.012 257 L HA -0.223 4.254 4.340 0.228 0.000 0.210 257 L C 2.680 179.399 176.870 -0.253 0.000 1.073 257 L CA 1.502 56.230 54.840 -0.187 0.000 0.748 257 L CB -0.603 41.326 42.059 -0.215 0.000 0.891 257 L HN 0.280 nan 8.230 nan 0.000 0.431 258 A N -0.896 121.807 122.820 -0.195 0.000 1.978 258 A HA -0.286 4.171 4.320 0.228 0.000 0.220 258 A C 2.216 179.692 177.584 -0.181 0.000 1.170 258 A CA 1.942 53.861 52.037 -0.198 0.000 0.636 258 A CB -0.453 18.465 19.000 -0.137 0.000 0.810 258 A HN 0.451 nan 8.150 nan 0.000 0.448 259 Q N -1.021 118.695 119.800 -0.140 0.000 2.137 259 Q HA 0.183 4.660 4.340 0.228 0.000 0.198 259 Q C 1.877 177.804 176.000 -0.123 0.000 0.960 259 Q CA 1.269 57.005 55.803 -0.112 0.000 0.847 259 Q CB -0.260 28.431 28.738 -0.079 0.000 0.915 259 Q HN 0.588 nan 8.270 nan 0.000 0.448 260 A N -0.642 122.094 122.820 -0.141 0.000 2.251 260 A HA 0.247 4.704 4.320 0.228 0.000 0.209 260 A C 0.608 178.071 177.584 -0.202 0.000 1.187 260 A CA 0.615 52.575 52.037 -0.128 0.000 0.823 260 A CB 0.033 18.988 19.000 -0.075 0.000 0.846 260 A HN 0.379 nan 8.150 nan 0.000 0.486 261 S N -2.444 113.087 115.700 -0.282 0.000 2.843 261 S HA 0.510 5.117 4.470 0.228 0.000 0.301 261 S C -0.600 173.775 174.600 -0.376 0.000 1.206 261 S CA -0.387 57.593 58.200 -0.366 0.000 0.875 261 S CB 0.769 63.637 63.200 -0.554 0.000 1.248 261 S HN 0.004 nan 8.310 nan 0.000 0.555 262 T N 1.916 116.178 114.554 -0.486 0.000 2.781 262 T HA 0.494 4.981 4.350 0.228 0.000 0.305 262 T C -0.581 173.754 174.700 -0.609 0.000 1.001 262 T CA -0.293 61.481 62.100 -0.543 0.000 0.950 262 T CB 0.096 68.572 68.868 -0.654 0.000 0.955 262 T HN 0.552 nan 8.240 nan 0.000 0.471 263 L N 5.683 126.601 121.223 -0.508 0.000 2.264 263 L HA 0.411 4.888 4.340 0.228 0.000 0.289 263 L C -0.256 176.375 176.870 -0.399 0.000 1.044 263 L CA -0.602 53.989 54.840 -0.416 0.000 0.807 263 L CB 0.304 42.173 42.059 -0.317 0.000 1.192 263 L HN 0.639 nan 8.230 nan 0.000 0.425 264 H N 3.185 122.120 119.070 -0.225 0.000 2.476 264 H HA 0.179 4.871 4.556 0.228 0.000 0.328 264 H C -1.189 174.142 175.328 0.005 0.000 1.073 264 H CA -0.826 55.173 56.048 -0.082 0.000 1.229 264 H CB 1.864 31.625 29.762 -0.002 0.000 1.432 264 H HN 0.547 nan 8.280 nan 0.000 0.477 265 D N 3.451 123.914 120.400 0.105 0.000 2.365 265 D HA 0.081 4.858 4.640 0.228 0.000 0.237 265 D C 0.778 177.123 176.300 0.075 0.000 1.190 265 D CA -0.432 53.621 54.000 0.088 0.000 0.867 265 D CB 0.812 41.636 40.800 0.040 0.000 1.050 265 D HN 0.400 nan 8.370 nan 0.000 0.491 266 V N 1.057 121.038 119.914 0.111 0.000 3.276 266 V HA 0.295 4.552 4.120 0.228 0.000 0.319 266 V C 0.574 176.691 176.094 0.038 0.000 1.427 266 V CA -0.432 61.906 62.300 0.063 0.000 1.102 266 V CB -0.468 31.436 31.823 0.134 0.000 1.020 266 V HN 0.378 nan 8.190 nan 0.000 0.456 267 T N 1.684 116.263 114.554 0.042 0.000 2.937 267 T HA 0.444 4.930 4.350 0.228 0.000 0.316 267 T C 1.353 176.045 174.700 -0.013 0.000 1.079 267 T CA 0.969 63.080 62.100 0.017 0.000 1.131 267 T CB 1.008 69.887 68.868 0.019 0.000 1.000 267 T HN 1.718 nan 8.240 nan 0.000 0.549 268 A N 1.462 124.261 122.820 -0.034 0.000 3.829 268 A HA -0.148 4.308 4.320 0.228 0.000 0.264 268 A C 0.550 178.093 177.584 -0.068 0.000 0.998 268 A CA 0.542 52.547 52.037 -0.053 0.000 1.270 268 A CB -2.263 16.712 19.000 -0.041 0.000 1.063 268 A HN 0.690 nan 8.150 nan 0.000 0.879 269 L N 0.516 121.700 121.223 -0.065 0.000 2.367 269 L HA 0.487 4.964 4.340 0.228 0.000 0.275 269 L C 1.546 178.347 176.870 -0.115 0.000 1.129 269 L CA 0.185 54.978 54.840 -0.078 0.000 0.839 269 L CB 0.748 42.768 42.059 -0.064 0.000 1.133 269 L HN 0.543 nan 8.230 nan 0.000 0.453 270 G N 0.900 109.614 108.800 -0.143 0.000 2.647 270 G HA2 -0.021 4.076 3.960 0.228 0.000 0.271 270 G HA3 -0.021 4.076 3.960 0.228 0.000 0.271 270 G C 0.681 175.456 174.900 -0.208 0.000 1.300 270 G CA -0.059 44.893 45.100 -0.246 0.000 0.997 270 G HN 0.838 nan 8.290 nan 0.000 0.533 271 H N -1.107 117.924 119.070 -0.065 0.000 2.326 271 H HA -0.079 4.614 4.556 0.228 0.000 0.301 271 H C 2.388 177.652 175.328 -0.107 0.000 1.081 271 H CA 1.240 57.234 56.048 -0.091 0.000 1.334 271 H CB -0.000 29.705 29.762 -0.095 0.000 1.385 271 H HN 0.243 nan 8.280 nan 0.000 0.504 272 L N 0.860 122.094 121.223 0.019 0.000 2.005 272 L HA -0.057 4.420 4.340 0.228 0.000 0.207 272 L C 2.430 179.275 176.870 -0.042 0.000 1.072 272 L CA 1.738 56.561 54.840 -0.027 0.000 0.744 272 L CB -0.790 41.253 42.059 -0.027 0.000 0.895 272 L HN 0.238 nan 8.230 nan 0.000 0.433 273 A N -1.553 121.243 122.820 -0.040 0.000 1.978 273 A HA -0.194 4.263 4.320 0.228 0.000 0.220 273 A C 2.220 179.797 177.584 -0.012 0.000 1.170 273 A CA 2.210 54.228 52.037 -0.031 0.000 0.636 273 A CB -1.183 17.791 19.000 -0.043 0.000 0.810 273 A HN 0.558 nan 8.150 nan 0.000 0.448 274 T N 0.244 114.780 114.554 -0.031 0.000 2.737 274 T HA 0.000 4.487 4.350 0.228 0.000 0.265 274 T C 2.291 176.932 174.700 -0.099 0.000 1.038 274 T CA 1.569 63.649 62.100 -0.035 0.000 1.144 274 T CB -0.499 68.344 68.868 -0.042 0.000 0.866 274 T HN 0.606 nan 8.240 nan 0.000 0.434 275 A N 1.840 124.578 122.820 -0.137 0.000 1.883 275 A HA -0.161 4.296 4.320 0.228 0.000 0.217 275 A C 2.249 179.744 177.584 -0.148 0.000 1.186 275 A CA 1.714 53.630 52.037 -0.202 0.000 0.624 275 A CB -0.501 18.385 19.000 -0.191 0.000 0.822 275 A HN 0.454 nan 8.150 nan 0.000 0.444 276 K N -1.718 118.639 120.400 -0.072 0.000 2.147 276 K HA -0.178 4.279 4.320 0.228 0.000 0.205 276 K C 2.001 178.611 176.600 0.016 0.000 1.049 276 K CA 1.515 57.782 56.287 -0.034 0.000 0.936 276 K CB -0.243 32.246 32.500 -0.017 0.000 0.722 276 K HN 0.746 nan 8.250 nan 0.000 0.446 277 H N 0.668 119.707 119.070 -0.051 0.000 2.428 277 H HA 0.065 4.758 4.556 0.228 0.000 0.296 277 H C 1.678 177.038 175.328 0.053 0.000 1.062 277 H CA 1.154 57.230 56.048 0.047 0.000 1.350 277 H CB 0.112 29.910 29.762 0.059 0.000 1.403 277 H HN 0.062 nan 8.280 nan 0.000 0.533 278 I N -0.323 120.081 120.570 -0.276 0.000 2.202 278 I HA -0.196 4.111 4.170 0.228 0.000 0.242 278 I C 2.591 178.549 176.117 -0.264 0.000 1.091 278 I CA 1.092 62.089 61.300 -0.505 0.000 1.368 278 I CB -0.191 37.369 38.000 -0.734 0.000 1.058 278 I HN 0.157 nan 8.210 nan 0.000 0.410 279 R N 0.594 120.978 120.500 -0.193 0.000 2.096 279 R HA -0.273 4.204 4.340 0.228 0.000 0.240 279 R C 2.446 178.687 176.300 -0.098 0.000 1.139 279 R CA 1.873 57.896 56.100 -0.127 0.000 0.952 279 R CB -1.061 29.181 30.300 -0.096 0.000 0.854 279 R HN 0.445 nan 8.270 nan 0.000 0.436 280 H N -0.940 118.023 119.070 -0.178 0.000 2.390 280 H HA -0.163 4.529 4.556 0.228 0.000 0.298 280 H C 1.032 176.154 175.328 -0.344 0.000 1.106 280 H CA 1.955 57.866 56.048 -0.229 0.000 1.297 280 H CB 0.050 29.676 29.762 -0.227 0.000 1.375 280 H HN 0.456 nan 8.280 nan 0.000 0.509 281 H N -0.796 118.105 119.070 -0.281 0.000 2.548 281 H HA 0.055 4.748 4.556 0.229 0.000 0.265 281 H C 1.170 176.344 175.328 -0.257 0.000 0.969 281 H CA 0.712 56.584 56.048 -0.294 0.000 1.155 281 H CB 0.375 29.967 29.762 -0.284 0.000 1.394 281 H HN 0.629 nan 8.280 nan 0.000 0.570 282 G N 1.731 110.441 108.800 -0.149 0.000 2.225 282 G HA2 -0.243 3.854 3.960 0.228 0.000 0.264 282 G HA3 -0.243 3.854 3.960 0.228 0.000 0.264 282 G C 0.086 174.923 174.900 -0.105 0.000 1.060 282 G CA -0.146 44.879 45.100 -0.124 0.000 0.833 282 G HN 0.160 nan 8.290 nan 0.000 0.498 283 I N 1.145 121.644 120.570 -0.118 0.000 2.668 283 I HA 0.077 4.384 4.170 0.228 0.000 0.285 283 I C 1.264 177.324 176.117 -0.095 0.000 1.168 283 I CA -0.149 61.092 61.300 -0.099 0.000 1.424 283 I CB 0.448 38.393 38.000 -0.091 0.000 1.377 283 I HN 0.263 nan 8.210 nan 0.000 0.560 284 D N 5.918 126.264 120.400 -0.091 0.000 2.202 284 D HA 0.065 4.842 4.640 0.228 0.000 0.214 284 D C 0.415 176.636 176.300 -0.132 0.000 0.967 284 D CA 1.037 54.969 54.000 -0.113 0.000 0.871 284 D CB 0.429 41.139 40.800 -0.150 0.000 1.020 284 D HN 0.322 nan 8.370 nan 0.000 0.474 285 L N 1.469 122.618 121.223 -0.123 0.000 2.305 285 L HA 0.447 4.924 4.340 0.228 0.000 0.284 285 L C -0.896 175.923 176.870 -0.084 0.000 1.013 285 L CA -0.795 53.958 54.840 -0.144 0.000 0.819 285 L CB 2.270 44.240 42.059 -0.149 0.000 1.227 285 L HN -0.099 nan 8.230 nan 0.000 0.417 286 L N 3.617 124.771 121.223 -0.114 0.000 2.349 286 L HA 0.582 5.059 4.340 0.228 0.000 0.278 286 L C -1.124 175.773 176.870 0.046 0.000 0.996 286 L CA 0.101 54.952 54.840 0.018 0.000 0.825 286 L CB 1.213 43.276 42.059 0.007 0.000 1.243 286 L HN 0.235 nan 8.230 nan 0.000 0.412 287 F N 2.891 122.884 119.950 0.071 0.000 2.404 287 F HA 0.346 5.010 4.527 0.228 0.000 0.339 287 F C 0.319 176.355 175.800 0.392 0.000 1.105 287 F CA -0.368 57.769 58.000 0.228 0.000 1.087 287 F CB 1.322 40.465 39.000 0.239 0.000 1.143 287 F HN 0.447 nan 8.300 nan 0.000 0.491 288 D N 4.106 124.668 120.400 0.270 0.000 2.412 288 D HA 0.237 5.014 4.640 0.228 0.000 0.224 288 D C 0.501 176.886 176.300 0.142 0.000 1.093 288 D CA -0.033 53.890 54.000 -0.127 0.000 0.850 288 D CB 0.882 41.080 40.800 -1.004 0.000 1.046 288 D HN 0.495 nan 8.370 nan 0.000 0.507 289 L N 3.187 124.551 121.223 0.235 0.000 2.341 289 L HA 0.126 4.603 4.340 0.228 0.000 0.214 289 L C 2.136 179.062 176.870 0.094 0.000 1.115 289 L CA 0.311 55.269 54.840 0.196 0.000 0.820 289 L CB 0.087 42.261 42.059 0.192 0.000 0.944 289 L HN 0.275 nan 8.230 nan 0.000 0.452 290 R N -0.515 120.005 120.500 0.033 0.000 2.254 290 R HA 0.152 4.629 4.340 0.228 0.000 0.193 290 R C 2.073 178.417 176.300 0.073 0.000 0.929 290 R CA 0.744 56.867 56.100 0.038 0.000 1.038 290 R CB 0.162 30.450 30.300 -0.019 0.000 1.009 290 R HN 0.275 nan 8.270 nan 0.000 0.512 291 G N 0.085 108.812 108.800 -0.122 0.000 2.447 291 G HA2 -0.177 3.919 3.960 0.228 0.000 0.211 291 G HA3 -0.177 3.919 3.960 0.228 0.000 0.211 291 G C 0.869 175.451 174.900 -0.529 0.000 1.184 291 G CA -0.174 44.685 45.100 -0.402 0.000 0.813 291 G HN 0.264 nan 8.290 nan 0.000 0.540 292 W N 1.297 122.284 121.300 -0.522 0.000 2.595 292 W HA 0.199 4.995 4.660 0.227 0.000 0.257 292 W C 2.476 178.944 176.519 -0.084 0.000 1.267 292 W CA 0.078 57.216 57.345 -0.345 0.000 1.300 292 W CB -0.060 29.119 29.460 -0.469 0.000 1.120 292 W HN 0.317 nan 8.180 nan 0.000 0.618 293 G N 1.454 110.337 108.800 0.139 0.000 3.173 293 G HA2 -0.276 3.821 3.960 0.228 0.000 0.310 293 G HA3 -0.276 3.821 3.960 0.228 0.000 0.310 293 G C 1.010 175.768 174.900 -0.238 0.000 1.382 293 G CA 1.630 46.666 45.100 -0.107 0.000 1.329 293 G HN 0.990 nan 8.290 nan 0.000 0.777 294 G N -2.425 106.330 108.800 -0.075 0.000 3.055 294 G HA2 0.472 4.568 3.960 0.228 0.000 0.654 294 G HA3 0.472 4.568 3.960 0.228 0.000 0.654 294 G C 1.305 176.165 174.900 -0.068 0.000 1.134 294 G CA 0.578 45.632 45.100 -0.078 0.000 1.049 294 G HN 2.327 nan 8.290 nan 0.000 0.458 295 G N -0.290 108.498 108.800 -0.020 0.000 2.148 295 G HA2 0.082 4.179 3.960 0.228 0.000 0.254 295 G HA3 0.082 4.179 3.960 0.228 0.000 0.254 295 G C 1.804 176.696 174.900 -0.013 0.000 0.981 295 G CA 1.384 46.472 45.100 -0.020 0.000 0.670 295 G HN 2.255 nan 8.290 nan 0.000 0.528 296 G N -0.057 108.737 108.800 -0.010 0.000 2.650 296 G HA2 0.213 4.309 3.960 0.228 0.000 0.214 296 G HA3 0.213 4.309 3.960 0.228 0.000 0.214 296 G C 1.069 175.979 174.900 0.016 0.000 1.136 296 G CA 0.526 45.617 45.100 -0.016 0.000 0.789 296 G HN 0.982 nan 8.290 nan 0.000 0.536 297 R N -0.909 119.607 120.500 0.027 0.000 3.251 297 R HA -0.154 4.322 4.340 0.228 0.000 0.249 297 R C -1.750 174.521 176.300 -0.048 0.000 0.949 297 R CA 0.986 57.086 56.100 0.000 0.000 0.645 297 R CB -2.083 28.273 30.300 0.092 0.000 1.065 297 R HN 0.397 nan 8.270 nan 0.000 0.452 298 P HA -0.146 nan 4.420 nan 0.000 0.223 298 P C 1.259 178.342 177.300 -0.362 0.000 1.151 298 P CA 1.058 64.034 63.100 -0.207 0.000 0.787 298 P CB 0.078 31.506 31.700 -0.452 0.000 0.788 299 E N 0.148 120.095 120.200 -0.421 0.000 2.204 299 E HA -0.093 4.394 4.350 0.228 0.000 0.195 299 E C 1.933 178.246 176.600 -0.479 0.000 0.990 299 E CA 0.930 57.011 56.400 -0.531 0.000 0.821 299 E CB -1.495 27.858 29.700 -0.578 0.000 0.750 299 E HN 0.109 nan 8.360 nan 0.000 0.477 300 V N 0.929 120.626 119.914 -0.362 0.000 2.287 300 V HA -0.248 4.009 4.120 0.228 0.000 0.248 300 V C 2.176 177.956 176.094 -0.523 0.000 1.053 300 V CA 1.932 64.018 62.300 -0.357 0.000 1.027 300 V CB -0.733 30.901 31.823 -0.314 0.000 0.646 300 V HN 0.102 nan 8.190 nan 0.000 0.447 301 F N 0.572 120.245 119.950 -0.462 0.000 2.234 301 F HA -0.069 4.595 4.527 0.229 0.000 0.299 301 F C 2.367 177.608 175.800 -0.932 0.000 1.087 301 F CA 1.203 58.889 58.000 -0.523 0.000 1.340 301 F CB -0.742 38.077 39.000 -0.302 0.000 1.031 301 F HN 0.101 nan 8.300 nan 0.000 0.500 302 A N -0.258 121.836 122.820 -1.211 0.000 2.067 302 A HA -0.051 4.406 4.320 0.228 0.000 0.219 302 A C 1.984 179.258 177.584 -0.516 0.000 1.158 302 A CA 0.969 52.204 52.037 -1.337 0.000 0.661 302 A CB -0.912 17.248 19.000 -1.400 0.000 0.801 302 A HN 0.423 nan 8.150 nan 0.000 0.452 303 L N -0.892 120.086 121.223 -0.409 0.000 2.599 303 L HA 0.068 4.545 4.340 0.228 0.000 0.230 303 L C 0.265 177.022 176.870 -0.188 0.000 1.141 303 L CA -0.279 54.416 54.840 -0.242 0.000 0.877 303 L CB -0.159 41.768 42.059 -0.220 0.000 1.009 303 L HN 0.300 nan 8.230 nan 0.000 0.447 304 R N -0.407 119.980 120.500 -0.188 0.000 3.038 304 R HA -0.169 4.308 4.340 0.228 0.000 0.242 304 R C -1.754 174.463 176.300 -0.138 0.000 0.866 304 R CA 0.318 56.353 56.100 -0.109 0.000 0.601 304 R CB -1.297 28.988 30.300 -0.025 0.000 1.107 304 R HN 0.296 nan 8.270 nan 0.000 0.492 305 P HA -0.036 nan 4.420 nan 0.000 0.226 305 P C 0.149 177.344 177.300 -0.176 0.000 1.153 305 P CA 1.241 64.217 63.100 -0.207 0.000 0.777 305 P CB 0.476 31.997 31.700 -0.299 0.000 0.794 306 A N 0.180 122.906 122.820 -0.158 0.000 2.380 306 A HA 0.601 5.057 4.320 0.228 0.000 0.315 306 A C -2.037 175.498 177.584 -0.080 0.000 1.101 306 A CA -1.692 50.272 52.037 -0.122 0.000 0.771 306 A CB 1.078 19.999 19.000 -0.131 0.000 1.287 306 A HN -0.211 nan 8.150 nan 0.000 0.436 307 P HA 0.021 nan 4.420 nan 0.000 0.219 307 P C 0.006 177.255 177.300 -0.085 0.000 1.150 307 P CA 0.918 63.984 63.100 -0.057 0.000 0.814 307 P CB 0.118 31.790 31.700 -0.045 0.000 0.787 308 V N 0.660 120.495 119.914 -0.132 0.000 2.531 308 V HA 0.309 4.566 4.120 0.228 0.000 0.301 308 V C -0.364 175.676 176.094 -0.091 0.000 1.034 308 V CA -0.519 61.689 62.300 -0.153 0.000 0.865 308 V CB 1.895 33.542 31.823 -0.293 0.000 0.995 308 V HN -0.068 nan 8.190 nan 0.000 0.424 309 Q N 3.465 123.256 119.800 -0.015 0.000 2.292 309 Q HA 0.683 5.160 4.340 0.228 0.000 0.270 309 Q C -1.474 174.515 176.000 -0.018 0.000 1.024 309 Q CA -0.642 55.180 55.803 0.032 0.000 0.768 309 Q CB 3.050 31.912 28.738 0.207 0.000 1.250 309 Q HN 0.571 nan 8.270 nan 0.000 0.447 310 V N 2.257 122.061 119.914 -0.183 0.000 2.555 310 V HA 0.351 4.608 4.120 0.228 0.000 0.302 310 V C -0.288 175.780 176.094 -0.043 0.000 1.038 310 V CA -0.978 61.185 62.300 -0.230 0.000 0.887 310 V CB 1.829 33.149 31.823 -0.839 0.000 0.991 310 V HN 0.669 nan 8.190 nan 0.000 0.434 311 N N 3.395 122.145 118.700 0.085 0.000 2.422 311 N HA 0.363 5.240 4.740 0.228 0.000 0.266 311 N C -1.459 174.288 175.510 0.395 0.000 1.007 311 N CA -0.375 52.769 53.050 0.158 0.000 0.941 311 N CB 1.157 39.697 38.487 0.089 0.000 1.115 311 N HN 0.748 nan 8.380 nan 0.000 0.492 312 W N 5.810 127.270 121.300 0.265 0.000 3.425 312 W HA 0.455 5.254 4.660 0.230 0.000 0.318 312 W C 0.028 176.759 176.519 0.354 0.000 1.201 312 W CA -0.746 56.821 57.345 0.371 0.000 1.212 312 W CB 0.118 29.964 29.460 0.643 0.000 1.355 312 W HN 0.540 nan 8.180 nan 0.000 0.515 313 L N 3.499 124.656 121.223 -0.111 0.000 2.993 313 L HA -0.318 4.159 4.340 0.228 0.000 0.419 313 L C 1.025 177.913 176.870 0.031 0.000 3.281 313 L CA 3.543 58.189 54.840 -0.324 0.000 2.356 313 L CB -1.816 39.498 42.059 -1.241 0.000 2.614 313 L HN 1.033 nan 8.230 nan 0.000 0.822 314 A N -2.217 120.633 122.820 0.049 0.000 2.470 314 A HA 0.417 4.874 4.320 0.228 0.000 0.251 314 A C 0.067 177.827 177.584 0.294 0.000 1.245 314 A CA 0.573 52.704 52.037 0.156 0.000 0.932 314 A CB -0.153 18.901 19.000 0.091 0.000 1.037 314 A HN 0.589 nan 8.150 nan 0.000 0.522 315 Y N 1.608 121.991 120.300 0.139 0.000 2.388 315 Y HA 0.496 5.183 4.550 0.230 0.000 0.328 315 Y C -2.537 173.411 175.900 0.081 0.000 0.963 315 Y CA -2.890 55.323 58.100 0.188 0.000 1.240 315 Y CB 1.899 40.443 38.460 0.141 0.000 1.118 315 Y HN 0.064 nan 8.280 nan 0.000 0.484 316 P HA 0.326 nan 4.420 nan 0.000 0.218 316 P C -0.127 176.919 177.300 -0.423 0.000 1.793 316 P CA 0.489 63.435 63.100 -0.256 0.000 0.941 316 P CB 0.137 31.873 31.700 0.060 0.000 1.919 317 G N -1.204 107.287 108.800 -0.515 0.000 2.488 317 G HA2 0.321 4.418 3.960 0.228 0.000 0.301 317 G HA3 0.321 4.418 3.960 0.228 0.000 0.301 317 G C -1.451 173.437 174.900 -0.019 0.000 1.339 317 G CA -0.388 44.557 45.100 -0.258 0.000 0.803 317 G HN 0.046 nan 8.290 nan 0.000 0.482 318 T N -0.598 113.758 114.554 -0.329 0.000 2.913 318 T HA 0.404 4.891 4.350 0.228 0.000 0.297 318 T C 1.931 176.693 174.700 0.104 0.000 1.029 318 T CA 0.805 62.704 62.100 -0.335 0.000 1.104 318 T CB 0.843 69.284 68.868 -0.712 0.000 0.964 318 T HN 1.292 nan 8.240 nan 0.000 0.532 319 S N 2.800 118.535 115.700 0.058 0.000 2.436 319 S HA 0.165 4.772 4.470 0.228 0.000 0.228 319 S C 1.883 176.560 174.600 0.129 0.000 1.014 319 S CA 0.822 59.055 58.200 0.055 0.000 0.950 319 S CB -0.689 62.383 63.200 -0.213 0.000 0.784 319 S HN 1.700 nan 8.310 nan 0.000 0.504 320 G N 0.918 109.698 108.800 -0.033 0.000 2.168 320 G HA2 -0.054 4.043 3.960 0.228 0.000 0.257 320 G HA3 -0.054 4.043 3.960 0.228 0.000 0.257 320 G C 0.089 174.878 174.900 -0.186 0.000 0.997 320 G CA 0.218 45.270 45.100 -0.080 0.000 0.708 320 G HN 1.449 nan 8.290 nan 0.000 0.520 321 A N -0.110 122.493 122.820 -0.361 0.000 2.343 321 A HA 0.872 5.329 4.320 0.228 0.000 0.316 321 A C -0.565 176.614 177.584 -0.675 0.000 1.104 321 A CA -0.920 50.663 52.037 -0.756 0.000 0.768 321 A CB 1.658 19.718 19.000 -1.568 0.000 1.213 321 A HN 0.009 nan 8.150 nan 0.000 0.456 322 P HA -0.154 nan 4.420 nan 0.000 0.219 322 P C 0.923 178.179 177.300 -0.073 0.000 1.146 322 P CA 1.438 64.432 63.100 -0.177 0.000 0.808 322 P CB -0.145 31.533 31.700 -0.037 0.000 0.779 323 W N -1.643 119.653 121.300 -0.007 0.000 3.077 323 W HA 0.395 5.191 4.660 0.227 0.000 0.245 323 W C 0.327 176.836 176.519 -0.017 0.000 1.316 323 W CA -0.493 56.847 57.345 -0.008 0.000 1.537 323 W CB -1.183 28.284 29.460 0.011 0.000 1.131 323 W HN -0.228 nan 8.180 nan 0.000 0.695 324 M N 2.635 122.152 119.600 -0.137 0.000 2.101 324 M HA 0.209 4.826 4.480 0.228 0.000 0.340 324 M C 0.690 176.925 176.300 -0.109 0.000 1.057 324 M CA -0.153 55.099 55.300 -0.079 0.000 0.984 324 M CB 0.979 33.468 32.600 -0.186 0.000 1.560 324 M HN -0.002 nan 8.290 nan 0.000 0.435 325 D N 3.550 123.885 120.400 -0.107 0.000 2.162 325 D HA -0.029 4.748 4.640 0.228 0.000 0.203 325 D C -0.523 175.459 176.300 -0.529 0.000 0.967 325 D CA 1.455 55.252 54.000 -0.339 0.000 0.840 325 D CB 0.309 40.906 40.800 -0.337 0.000 0.972 325 D HN 0.457 nan 8.370 nan 0.000 0.482 326 Y N -0.830 119.467 120.300 -0.005 0.000 2.588 326 Y HA 0.414 5.100 4.550 0.228 0.000 0.343 326 Y C -0.409 175.498 175.900 0.011 0.000 1.065 326 Y CA -1.036 57.074 58.100 0.017 0.000 1.038 326 Y CB 2.213 40.661 38.460 -0.021 0.000 1.297 326 Y HN -0.364 nan 8.280 nan 0.000 0.467 327 V N 3.411 123.455 119.914 0.218 0.000 2.769 327 V HA 0.679 4.936 4.120 0.228 0.000 0.312 327 V C -1.787 174.388 176.094 0.135 0.000 1.061 327 V CA -0.877 61.516 62.300 0.155 0.000 0.931 327 V CB 1.898 33.785 31.823 0.105 0.000 1.010 327 V HN 0.637 nan 8.190 nan 0.000 0.433 328 L N 6.692 128.045 121.223 0.216 0.000 2.298 328 L HA 0.940 5.417 4.340 0.228 0.000 0.284 328 L C 0.259 177.325 176.870 0.327 0.000 1.013 328 L CA 0.988 55.956 54.840 0.214 0.000 0.824 328 L CB 0.893 43.038 42.059 0.144 0.000 1.221 328 L HN 0.836 nan 8.230 nan 0.000 0.418 329 G N 3.053 111.986 108.800 0.223 0.000 3.264 329 G HA2 0.671 4.768 3.960 0.228 0.000 0.168 329 G HA3 0.671 4.768 3.960 0.228 0.000 0.168 329 G C -1.483 173.612 174.900 0.324 0.000 1.145 329 G CA 0.157 45.444 45.100 0.311 0.000 0.855 329 G HN 0.673 nan 8.290 nan 0.000 0.629 330 D N -3.293 117.275 120.400 0.281 0.000 2.639 330 D HA 0.513 5.290 4.640 0.228 0.000 0.271 330 D C 0.803 177.244 176.300 0.236 0.000 1.254 330 D CA 0.191 54.345 54.000 0.258 0.000 0.810 330 D CB 1.023 42.006 40.800 0.304 0.000 1.351 330 D HN 0.687 nan 8.370 nan 0.000 0.427 331 A N 0.000 122.975 122.820 0.258 0.000 1.978 331 A HA -0.052 4.404 4.320 0.228 0.000 0.220 331 A C 1.710 179.385 177.584 0.151 0.000 1.170 331 A CA 1.352 53.501 52.037 0.187 0.000 0.636 331 A CB -0.924 18.194 19.000 0.198 0.000 0.810 331 A HN 0.510 nan 8.150 nan 0.000 0.448 332 F N -0.176 119.838 119.950 0.106 0.000 2.188 332 F HA 0.233 4.898 4.527 0.229 0.000 0.289 332 F C 2.511 178.294 175.800 -0.028 0.000 1.082 332 F CA 1.124 59.103 58.000 -0.034 0.000 1.282 332 F CB -0.165 38.774 39.000 -0.100 0.000 1.060 332 F HN 0.203 nan 8.300 nan 0.000 0.493 333 A N -0.399 122.547 122.820 0.211 0.000 2.016 333 A HA 0.080 4.537 4.320 0.228 0.000 0.217 333 A C 0.992 178.501 177.584 -0.126 0.000 1.162 333 A CA 0.734 52.688 52.037 -0.137 0.000 0.662 333 A CB -0.459 18.208 19.000 -0.556 0.000 0.812 333 A HN 0.348 nan 8.150 nan 0.000 0.450 334 L N 1.382 122.634 121.223 0.048 0.000 2.495 334 L HA 0.315 4.792 4.340 0.228 0.000 0.248 334 L C -2.726 174.141 176.870 -0.006 0.000 1.229 334 L CA -2.305 52.581 54.840 0.076 0.000 0.942 334 L CB 2.100 44.211 42.059 0.086 0.000 1.242 334 L HN 0.084 nan 8.230 nan 0.000 0.484 335 P HA 0.319 nan 4.420 nan 0.000 0.278 335 P C -2.364 174.911 177.300 -0.042 0.000 1.266 335 P CA -1.457 61.604 63.100 -0.065 0.000 0.807 335 P CB 0.524 32.141 31.700 -0.139 0.000 1.094 336 P HA -0.205 nan 4.420 nan 0.000 0.218 336 P C 1.351 178.632 177.300 -0.032 0.000 1.152 336 P CA 2.334 65.409 63.100 -0.041 0.000 0.857 336 P CB -0.628 31.050 31.700 -0.036 0.000 0.787 337 A N -2.055 120.757 122.820 -0.013 0.000 2.216 337 A HA -0.069 4.388 4.320 0.228 0.000 0.214 337 A C 1.872 179.519 177.584 0.105 0.000 1.160 337 A CA 0.939 52.993 52.037 0.028 0.000 0.725 337 A CB -1.062 17.958 19.000 0.033 0.000 0.784 337 A HN 0.127 nan 8.150 nan 0.000 0.472 338 L N -1.261 120.020 121.223 0.096 0.000 2.556 338 L HA 0.219 4.696 4.340 0.228 0.000 0.226 338 L C 1.816 178.789 176.870 0.171 0.000 1.089 338 L CA 0.918 55.897 54.840 0.232 0.000 0.864 338 L CB -0.307 41.887 42.059 0.225 0.000 1.067 338 L HN 0.413 nan 8.230 nan 0.000 0.477 339 E N 0.174 120.375 120.200 0.002 0.000 2.097 339 E HA -0.229 4.258 4.350 0.228 0.000 0.196 339 E C -0.710 175.817 176.600 -0.121 0.000 1.000 339 E CA 1.731 58.101 56.400 -0.051 0.000 0.804 339 E CB -0.748 28.893 29.700 -0.097 0.000 0.740 339 E HN 0.394 nan 8.360 nan 0.000 0.454 340 P HA -0.161 nan 4.420 nan 0.000 0.220 340 P C 0.270 177.174 177.300 -0.659 0.000 1.144 340 P CA 1.185 63.914 63.100 -0.618 0.000 0.800 340 P CB -0.022 31.052 31.700 -1.044 0.000 0.772 341 F N -3.882 116.141 119.950 0.122 0.000 2.641 341 F HA 0.247 4.911 4.527 0.228 0.000 0.302 341 F C 0.589 176.401 175.800 0.020 0.000 1.098 341 F CA -0.733 57.311 58.000 0.073 0.000 1.318 341 F CB -0.821 38.204 39.000 0.042 0.000 1.035 341 F HN -0.141 nan 8.300 nan 0.000 0.551 342 Y N -0.037 120.290 120.300 0.046 0.000 2.360 342 Y HA 0.247 4.933 4.550 0.227 0.000 0.337 342 Y C 1.685 177.580 175.900 -0.008 0.000 1.039 342 Y CA -0.581 57.534 58.100 0.026 0.000 1.109 342 Y CB 1.664 40.127 38.460 0.005 0.000 1.201 342 Y HN -0.008 nan 8.280 nan 0.000 0.458 343 S N 0.220 115.954 115.700 0.056 0.000 2.395 343 S HA -0.035 4.572 4.470 0.228 0.000 0.225 343 S C 0.264 174.880 174.600 0.027 0.000 1.027 343 S CA 0.236 58.441 58.200 0.008 0.000 0.965 343 S CB -0.223 62.940 63.200 -0.062 0.000 0.812 343 S HN 0.657 nan 8.310 nan 0.000 0.482 344 E N 1.261 121.506 120.200 0.075 0.000 2.408 344 E HA 0.304 4.791 4.350 0.228 0.000 0.259 344 E C -0.191 176.470 176.600 0.101 0.000 1.110 344 E CA -0.107 56.327 56.400 0.056 0.000 0.929 344 E CB 0.136 29.899 29.700 0.106 0.000 0.971 344 E HN 0.405 nan 8.360 nan 0.000 0.438 345 H N -0.014 119.003 119.070 -0.088 0.000 2.707 345 H HA 0.208 4.901 4.556 0.228 0.000 0.359 345 H C -0.884 174.516 175.328 0.119 0.000 1.113 345 H CA -0.182 55.859 56.048 -0.012 0.000 1.422 345 H CB 0.515 30.216 29.762 -0.102 0.000 1.443 345 H HN 0.111 nan 8.280 nan 0.000 0.591 346 V N 6.957 126.758 119.914 -0.188 0.000 2.350 346 V HA 0.212 4.468 4.120 0.228 0.000 0.276 346 V C 0.025 176.085 176.094 -0.057 0.000 1.028 346 V CA -0.546 61.687 62.300 -0.113 0.000 0.860 346 V CB 0.682 32.386 31.823 -0.198 0.000 0.990 346 V HN 0.524 nan 8.190 nan 0.000 0.453 347 L N 5.804 127.038 121.223 0.017 0.000 2.331 347 L HA 0.704 5.181 4.340 0.228 0.000 0.275 347 L C 0.078 176.946 176.870 -0.004 0.000 1.022 347 L CA -0.711 54.121 54.840 -0.014 0.000 0.812 347 L CB 1.796 43.812 42.059 -0.072 0.000 1.257 347 L HN 0.531 nan 8.230 nan 0.000 0.435 348 R N 1.705 122.200 120.500 -0.008 0.000 2.628 348 R HA 0.561 5.038 4.340 0.228 0.000 0.288 348 R C -1.200 175.099 176.300 -0.001 0.000 0.980 348 R CA -0.979 55.137 56.100 0.026 0.000 0.891 348 R CB 2.279 32.605 30.300 0.043 0.000 1.188 348 R HN 0.321 nan 8.270 nan 0.000 0.450 349 L N 1.541 122.771 121.223 0.012 0.000 2.476 349 L HA 0.085 4.562 4.340 0.228 0.000 0.255 349 L C 1.572 178.404 176.870 -0.063 0.000 1.218 349 L CA 0.555 55.352 54.840 -0.071 0.000 0.819 349 L CB 0.574 42.552 42.059 -0.135 0.000 1.119 349 L HN 0.618 nan 8.230 nan 0.000 0.485 350 Q N -0.459 119.272 119.800 -0.114 0.000 2.389 350 Q HA 0.140 4.617 4.340 0.228 0.000 0.204 350 Q C 0.544 176.511 176.000 -0.056 0.000 0.944 350 Q CA 0.669 56.436 55.803 -0.060 0.000 0.908 350 Q CB 0.363 29.065 28.738 -0.060 0.000 1.002 350 Q HN 0.881 nan 8.270 nan 0.000 0.493 351 G N -0.630 108.064 108.800 -0.176 0.000 3.212 351 G HA2 0.638 4.735 3.960 0.228 0.000 0.188 351 G HA3 0.638 4.735 3.960 0.228 0.000 0.188 351 G C -1.136 173.372 174.900 -0.653 0.000 1.254 351 G CA -0.259 44.656 45.100 -0.309 0.000 0.957 351 G HN 0.226 nan 8.290 nan 0.000 0.596 352 A N -0.655 121.685 122.820 -0.800 0.000 2.483 352 A HA 0.410 4.867 4.320 0.228 0.000 0.238 352 A C 0.938 178.553 177.584 0.051 0.000 1.070 352 A CA 0.313 52.093 52.037 -0.427 0.000 0.770 352 A CB -0.278 18.593 19.000 -0.216 0.000 1.008 352 A HN 1.277 nan 8.150 nan 0.000 0.497 353 F N -0.288 119.769 119.950 0.178 0.000 2.546 353 F HA 0.058 4.721 4.527 0.227 0.000 0.298 353 F C 0.871 177.062 175.800 0.652 0.000 1.120 353 F CA 0.813 59.090 58.000 0.462 0.000 1.456 353 F CB 0.026 39.352 39.000 0.544 0.000 1.088 353 F HN 0.572 nan 8.300 nan 0.000 0.572 354 Q N 3.181 122.798 119.800 -0.305 0.000 2.333 354 Q HA 0.381 4.858 4.340 0.228 0.000 0.268 354 Q C -2.683 173.086 176.000 -0.384 0.000 1.007 354 Q CA -2.580 52.866 55.803 -0.595 0.000 0.810 354 Q CB 2.335 30.458 28.738 -1.024 0.000 1.264 354 Q HN 0.025 nan 8.270 nan 0.000 0.452 355 P HA 0.388 nan 4.420 nan 0.000 0.287 355 P C -1.269 175.714 177.300 -0.528 0.000 1.296 355 P CA -0.353 62.210 63.100 -0.895 0.000 0.811 355 P CB 1.660 32.580 31.700 -1.300 0.000 1.211 356 S N -2.128 113.305 115.700 -0.446 0.000 2.615 356 S HA 0.316 4.923 4.470 0.228 0.000 0.269 356 S C -1.304 173.080 174.600 -0.360 0.000 1.161 356 S CA -0.751 57.254 58.200 -0.326 0.000 0.817 356 S CB 0.588 63.672 63.200 -0.193 0.000 1.131 356 S HN 0.308 nan 8.310 nan 0.000 0.467 357 D N 1.541 121.734 120.400 -0.345 0.000 2.402 357 D HA 0.321 5.098 4.640 0.228 0.000 0.235 357 D C 1.288 177.235 176.300 -0.588 0.000 1.226 357 D CA 0.125 53.914 54.000 -0.352 0.000 0.918 357 D CB 0.624 41.294 40.800 -0.216 0.000 1.043 357 D HN 0.658 nan 8.370 nan 0.000 0.506 358 T N -0.954 113.234 114.554 -0.609 0.000 3.219 358 T HA -0.029 4.458 4.350 0.228 0.000 0.249 358 T C 1.498 176.008 174.700 -0.317 0.000 1.099 358 T CA 0.213 61.787 62.100 -0.877 0.000 0.988 358 T CB -0.104 68.416 68.868 -0.580 0.000 0.999 358 T HN 0.196 nan 8.240 nan 0.000 0.550 359 S N 0.284 115.871 115.700 -0.188 0.000 2.548 359 S HA 0.218 4.825 4.470 0.228 0.000 0.215 359 S C 0.817 175.453 174.600 0.061 0.000 0.976 359 S CA -0.782 57.401 58.200 -0.028 0.000 0.908 359 S CB -0.334 62.840 63.200 -0.043 0.000 0.781 359 S HN 0.423 nan 8.310 nan 0.000 0.519 360 R N 1.712 122.255 120.500 0.072 0.000 2.343 360 R HA 0.316 4.793 4.340 0.228 0.000 0.326 360 R C -1.016 175.483 176.300 0.330 0.000 1.055 360 R CA -0.178 56.038 56.100 0.194 0.000 0.961 360 R CB 0.777 31.189 30.300 0.188 0.000 0.978 360 R HN 0.175 nan 8.270 nan 0.000 0.443 361 V N 5.515 125.536 119.914 0.177 0.000 2.427 361 V HA 0.056 4.313 4.120 0.228 0.000 0.268 361 V C 0.382 176.528 176.094 0.086 0.000 1.046 361 V CA -0.448 61.920 62.300 0.113 0.000 0.970 361 V CB 1.256 33.114 31.823 0.059 0.000 1.001 361 V HN 0.441 nan 8.190 nan 0.000 0.476 362 V N 5.669 125.612 119.914 0.048 0.000 2.455 362 V HA 0.465 4.722 4.120 0.228 0.000 0.273 362 V C 0.885 176.968 176.094 -0.019 0.000 1.045 362 V CA -0.179 62.129 62.300 0.012 0.000 0.976 362 V CB 0.751 32.551 31.823 -0.039 0.000 0.993 362 V HN 0.980 nan 8.190 nan 0.000 0.475 363 A N 5.129 127.942 122.820 -0.012 0.000 2.296 363 A HA 0.453 4.910 4.320 0.228 0.000 0.264 363 A C 0.393 177.953 177.584 -0.039 0.000 1.097 363 A CA -0.483 51.543 52.037 -0.019 0.000 0.811 363 A CB 0.242 19.238 19.000 -0.007 0.000 1.072 363 A HN 0.747 nan 8.150 nan 0.000 0.495 364 E N 1.148 121.326 120.200 -0.038 0.000 2.313 364 E HA 0.325 4.812 4.350 0.228 0.000 0.276 364 E C -2.128 174.440 176.600 -0.054 0.000 1.031 364 E CA -1.398 54.969 56.400 -0.056 0.000 0.857 364 E CB 0.640 30.317 29.700 -0.037 0.000 1.040 364 E HN 0.442 nan 8.360 nan 0.000 0.408 365 P HA 0.283 nan 4.420 nan 0.000 0.276 365 P C -2.454 174.867 177.300 0.036 0.000 1.252 365 P CA -1.335 61.734 63.100 -0.053 0.000 0.802 365 P CB -0.441 31.163 31.700 -0.160 0.000 1.035 366 P HA -0.036 nan 4.420 nan 0.000 0.271 366 P C 0.282 177.713 177.300 0.219 0.000 1.228 366 P CA 0.183 63.352 63.100 0.115 0.000 0.797 366 P CB -0.090 31.673 31.700 0.106 0.000 0.914 367 S N 0.314 116.099 115.700 0.142 0.000 2.580 367 S HA 0.074 4.681 4.470 0.228 0.000 0.266 367 S C 1.238 175.834 174.600 -0.006 0.000 1.354 367 S CA -0.243 58.023 58.200 0.109 0.000 1.008 367 S CB 0.324 63.534 63.200 0.017 0.000 0.898 367 S HN 0.290 nan 8.310 nan 0.000 0.555 368 R N 0.477 120.781 120.500 -0.328 0.000 2.103 368 R HA -0.098 4.379 4.340 0.228 0.000 0.242 368 R C 2.459 178.589 176.300 -0.283 0.000 1.142 368 R CA 2.081 57.858 56.100 -0.538 0.000 0.960 368 R CB -1.307 28.644 30.300 -0.581 0.000 0.858 368 R HN 0.828 nan 8.270 nan 0.000 0.439 369 T N 1.090 115.538 114.554 -0.176 0.000 2.708 369 T HA -0.175 4.312 4.350 0.228 0.000 0.266 369 T C 1.703 176.357 174.700 -0.077 0.000 1.037 369 T CA 1.221 63.250 62.100 -0.119 0.000 1.146 369 T CB -0.197 68.623 68.868 -0.081 0.000 0.865 369 T HN 0.364 nan 8.240 nan 0.000 0.435 370 Q N -0.214 119.562 119.800 -0.040 0.000 2.443 370 Q HA -0.038 4.439 4.340 0.228 0.000 0.213 370 Q C 1.711 177.726 176.000 0.025 0.000 0.982 370 Q CA 0.719 56.523 55.803 0.003 0.000 0.894 370 Q CB -0.368 28.388 28.738 0.029 0.000 0.947 370 Q HN 0.501 nan 8.270 nan 0.000 0.480 371 C N -0.483 118.813 119.300 -0.006 0.000 2.855 371 C HA 0.329 4.926 4.460 0.228 0.000 0.279 371 C C 1.544 176.493 174.990 -0.068 0.000 1.270 371 C CA 0.223 59.264 59.018 0.037 0.000 1.702 371 C CB -0.529 27.257 27.740 0.076 0.000 1.949 371 C HN 0.776 nan 8.230 nan 0.000 0.618 372 G N 1.003 109.744 108.800 -0.098 0.000 2.179 372 G HA2 -0.231 3.866 3.960 0.228 0.000 0.260 372 G HA3 -0.231 3.866 3.960 0.228 0.000 0.260 372 G C 0.029 174.791 174.900 -0.230 0.000 0.977 372 G CA 0.039 45.071 45.100 -0.113 0.000 0.641 372 G HN 0.515 nan 8.290 nan 0.000 0.533 373 L N 2.208 123.220 121.223 -0.351 0.000 2.375 373 L HA 0.455 4.932 4.340 0.228 0.000 0.271 373 L C -1.302 175.400 176.870 -0.281 0.000 1.107 373 L CA -2.264 52.326 54.840 -0.417 0.000 0.806 373 L CB 0.809 42.494 42.059 -0.623 0.000 1.146 373 L HN -0.068 nan 8.230 nan 0.000 0.447 374 P HA 0.023 nan 4.420 nan 0.000 0.271 374 P C -0.260 176.927 177.300 -0.187 0.000 1.233 374 P CA -0.129 62.868 63.100 -0.172 0.000 0.789 374 P CB 0.695 32.310 31.700 -0.141 0.000 0.951 375 E N -0.205 119.909 120.200 -0.144 0.000 2.250 375 E HA -0.059 4.428 4.350 0.228 0.000 0.192 375 E C 0.319 176.846 176.600 -0.122 0.000 0.986 375 E CA 0.706 57.022 56.400 -0.139 0.000 0.849 375 E CB 0.158 29.797 29.700 -0.102 0.000 0.797 375 E HN 0.475 nan 8.360 nan 0.000 0.482 376 Q N -0.748 118.989 119.800 -0.104 0.000 2.418 376 Q HA 0.612 5.088 4.340 0.228 0.000 0.276 376 Q C -0.505 175.440 176.000 -0.092 0.000 1.081 376 Q CA -0.081 55.668 55.803 -0.089 0.000 0.864 376 Q CB 2.436 31.134 28.738 -0.067 0.000 1.384 376 Q HN 0.184 nan 8.270 nan 0.000 0.467 377 G N -1.029 107.724 108.800 -0.078 0.000 2.742 377 G HA2 -0.024 4.073 3.960 0.228 0.000 0.686 377 G HA3 -0.024 4.073 3.960 0.228 0.000 0.686 377 G C -1.308 173.548 174.900 -0.073 0.000 1.220 377 G CA -0.833 44.222 45.100 -0.075 0.000 0.783 377 G HN 0.451 nan 8.290 nan 0.000 0.646 378 V N 1.441 121.323 119.914 -0.053 0.000 2.555 378 V HA 0.489 4.746 4.120 0.228 0.000 0.286 378 V C 1.121 177.193 176.094 -0.037 0.000 1.044 378 V CA 0.084 62.362 62.300 -0.036 0.000 1.026 378 V CB 1.394 33.205 31.823 -0.020 0.000 0.981 378 V HN 1.670 nan 8.190 nan 0.000 0.480 379 V N 7.780 127.683 119.914 -0.017 0.000 2.328 379 V HA 0.528 4.785 4.120 0.228 0.000 0.278 379 V C -0.353 175.772 176.094 0.051 0.000 1.021 379 V CA -0.300 61.999 62.300 -0.001 0.000 0.838 379 V CB 0.868 32.672 31.823 -0.032 0.000 0.999 379 V HN 0.708 nan 8.190 nan 0.000 0.447 380 L N 7.761 128.997 121.223 0.023 0.000 2.312 380 L HA 0.733 5.210 4.340 0.228 0.000 0.281 380 L C 0.146 176.997 176.870 -0.031 0.000 1.070 380 L CA -0.200 54.639 54.840 -0.001 0.000 0.805 380 L CB 1.340 43.392 42.059 -0.011 0.000 1.174 380 L HN 0.909 nan 8.230 nan 0.000 0.434 381 C N 1.785 120.991 119.300 -0.157 0.000 2.994 381 C HA 0.843 5.440 4.460 0.228 0.000 0.305 381 C C -0.753 173.753 174.990 -0.807 0.000 1.251 381 C CA -1.249 57.529 59.018 -0.400 0.000 1.478 381 C CB 1.147 28.573 27.740 -0.523 0.000 1.922 381 C HN 1.052 nan 8.230 nan 0.000 0.472 382 C N 4.560 123.338 119.300 -0.870 0.000 2.789 382 C HA 0.651 5.247 4.460 0.228 0.000 0.367 382 C C -0.407 174.336 174.990 -0.413 0.000 1.062 382 C CA -0.413 58.007 59.018 -0.997 0.000 1.297 382 C CB -0.417 27.034 27.740 -0.482 0.000 1.794 382 C HN 0.894 nan 8.230 nan 0.000 0.474 383 F N 3.238 123.100 119.950 -0.147 0.000 2.645 383 F HA 0.311 5.107 4.527 0.449 0.000 0.300 383 F C 1.301 177.183 175.800 0.137 0.000 1.115 383 F CA -0.423 57.613 58.000 0.061 0.000 1.355 383 F CB -0.819 38.295 39.000 0.190 0.000 1.026 383 F HN 0.573 nan 8.300 nan 0.000 0.536 384 N N 1.003 119.868 118.700 0.275 0.000 2.344 384 N HA -0.120 4.757 4.740 0.228 0.000 0.236 384 N C 0.462 175.946 175.510 -0.044 0.000 1.279 384 N CA 0.254 53.370 53.050 0.109 0.000 0.882 384 N CB 0.223 38.734 38.487 0.040 0.000 1.110 384 N HN 0.089 nan 8.380 nan 0.000 0.436 385 N N -0.150 118.416 118.700 -0.224 0.000 2.395 385 N HA -0.077 4.800 4.740 0.228 0.000 0.246 385 N C 1.118 176.342 175.510 -0.477 0.000 1.246 385 N CA 0.152 52.953 53.050 -0.415 0.000 0.879 385 N CB 0.561 38.583 38.487 -0.774 0.000 1.098 385 N HN 0.571 nan 8.380 nan 0.000 0.444 386 S N 2.817 118.331 115.700 -0.311 0.000 2.374 386 S HA -0.258 4.349 4.470 0.228 0.000 0.227 386 S C 1.865 176.391 174.600 -0.124 0.000 1.037 386 S CA 1.598 59.705 58.200 -0.155 0.000 1.024 386 S CB -0.821 62.325 63.200 -0.090 0.000 0.861 386 S HN 0.765 nan 8.310 nan 0.000 0.456 387 Y N 1.715 122.012 120.300 -0.005 0.000 2.569 387 Y HA 0.267 4.959 4.550 0.238 0.000 0.293 387 Y C 1.801 177.689 175.900 -0.020 0.000 1.144 387 Y CA 0.383 58.487 58.100 0.007 0.000 1.321 387 Y CB -0.646 37.833 38.460 0.031 0.000 0.982 387 Y HN 0.192 nan 8.280 nan 0.000 0.558 388 K N 0.832 121.053 120.400 -0.299 0.000 2.314 388 K HA 0.193 4.650 4.320 0.228 0.000 0.198 388 K C 0.125 176.689 176.600 -0.059 0.000 1.045 388 K CA 0.143 56.325 56.287 -0.175 0.000 0.988 388 K CB 0.102 32.392 32.500 -0.349 0.000 0.783 388 K HN 0.303 nan 8.250 nan 0.000 0.484 389 L N 3.899 125.108 121.223 -0.023 0.000 2.385 389 L HA 0.121 4.598 4.340 0.228 0.000 0.285 389 L C 0.105 177.052 176.870 0.129 0.000 1.125 389 L CA -0.379 54.500 54.840 0.066 0.000 0.890 389 L CB -0.456 41.674 42.059 0.120 0.000 1.251 389 L HN 0.276 nan 8.230 nan 0.000 0.445 390 N N 2.518 121.159 118.700 -0.097 0.000 2.592 390 N HA 0.489 5.366 4.740 0.228 0.000 0.292 390 N C -2.348 172.610 175.510 -0.920 0.000 1.260 390 N CA -1.934 50.826 53.050 -0.484 0.000 0.910 390 N CB 1.361 39.625 38.487 -0.372 0.000 1.257 390 N HN -0.026 nan 8.380 nan 0.000 0.569 391 P HA -0.227 nan 4.420 nan 0.000 0.216 391 P C 1.439 178.474 177.300 -0.442 0.000 1.150 391 P CA 1.422 63.781 63.100 -1.235 0.000 0.837 391 P CB 0.099 31.238 31.700 -0.934 0.000 0.786 392 Q N -0.383 119.216 119.800 -0.334 0.000 2.016 392 Q HA -0.130 4.347 4.340 0.228 0.000 0.200 392 Q C 2.022 177.947 176.000 -0.126 0.000 0.978 392 Q CA 2.075 57.779 55.803 -0.164 0.000 0.833 392 Q CB -0.443 28.213 28.738 -0.136 0.000 0.895 392 Q HN 0.113 nan 8.270 nan 0.000 0.427 393 S N 0.350 115.969 115.700 -0.135 0.000 2.382 393 S HA -0.115 4.491 4.470 0.228 0.000 0.228 393 S C 1.921 176.515 174.600 -0.010 0.000 1.027 393 S CA 1.166 59.308 58.200 -0.097 0.000 0.991 393 S CB -0.111 63.055 63.200 -0.057 0.000 0.823 393 S HN 0.372 nan 8.310 nan 0.000 0.469 394 M N 1.472 121.093 119.600 0.035 0.000 2.099 394 M HA 0.034 4.651 4.480 0.228 0.000 0.262 394 M C 2.582 179.071 176.300 0.315 0.000 1.067 394 M CA 1.444 56.873 55.300 0.214 0.000 1.124 394 M CB -1.770 31.016 32.600 0.310 0.000 1.353 394 M HN 0.366 nan 8.290 nan 0.000 0.410 395 A N 1.262 124.277 122.820 0.324 0.000 1.892 395 A HA -0.242 4.214 4.320 0.228 0.000 0.218 395 A C 2.214 179.882 177.584 0.139 0.000 1.188 395 A CA 2.482 54.683 52.037 0.273 0.000 0.631 395 A CB -0.806 18.317 19.000 0.205 0.000 0.822 395 A HN 0.647 nan 8.150 nan 0.000 0.447 396 R N -0.954 119.595 120.500 0.083 0.000 2.153 396 R HA 0.075 4.552 4.340 0.228 0.000 0.218 396 R C 1.980 178.394 176.300 0.190 0.000 1.072 396 R CA 1.446 57.598 56.100 0.086 0.000 0.990 396 R CB -0.489 29.783 30.300 -0.046 0.000 0.889 396 R HN 0.489 nan 8.270 nan 0.000 0.452 397 M N 1.116 120.826 119.600 0.183 0.000 2.117 397 M HA -0.080 4.537 4.480 0.228 0.000 0.262 397 M C 2.260 178.639 176.300 0.132 0.000 1.065 397 M CA 1.654 57.069 55.300 0.192 0.000 1.114 397 M CB -0.322 32.370 32.600 0.154 0.000 1.361 397 M HN 0.137 nan 8.290 nan 0.000 0.408 398 L N -0.077 121.223 121.223 0.128 0.000 2.131 398 L HA -0.150 4.327 4.340 0.228 0.000 0.210 398 L C 2.816 179.713 176.870 0.045 0.000 1.092 398 L CA 0.986 55.873 54.840 0.079 0.000 0.759 398 L CB -0.765 41.335 42.059 0.067 0.000 0.903 398 L HN 0.301 nan 8.230 nan 0.000 0.435 399 A N -0.529 122.327 122.820 0.060 0.000 1.969 399 A HA -0.107 4.349 4.320 0.228 0.000 0.218 399 A C 2.310 179.921 177.584 0.045 0.000 1.169 399 A CA 1.323 53.386 52.037 0.043 0.000 0.635 399 A CB -0.607 18.427 19.000 0.056 0.000 0.810 399 A HN 0.187 nan 8.150 nan 0.000 0.445 400 V N 0.464 120.419 119.914 0.068 0.000 2.295 400 V HA -0.269 3.988 4.120 0.228 0.000 0.246 400 V C 2.552 178.659 176.094 0.021 0.000 1.049 400 V CA 1.936 64.263 62.300 0.045 0.000 1.024 400 V CB -0.800 31.053 31.823 0.051 0.000 0.648 400 V HN 0.580 nan 8.190 nan 0.000 0.447 401 L N -0.623 120.613 121.223 0.022 0.000 2.079 401 L HA -0.201 4.276 4.340 0.228 0.000 0.210 401 L C 2.801 179.668 176.870 -0.005 0.000 1.081 401 L CA 1.704 56.547 54.840 0.005 0.000 0.752 401 L CB -0.752 41.311 42.059 0.006 0.000 0.896 401 L HN 0.289 nan 8.230 nan 0.000 0.433 402 R N 0.239 120.736 120.500 -0.005 0.000 2.096 402 R HA -0.160 4.317 4.340 0.228 0.000 0.235 402 R C 1.950 178.243 176.300 -0.012 0.000 1.127 402 R CA 1.324 57.416 56.100 -0.015 0.000 0.968 402 R CB -0.143 30.145 30.300 -0.019 0.000 0.861 402 R HN 0.481 nan 8.270 nan 0.000 0.440 403 E N -0.094 120.103 120.200 -0.005 0.000 2.435 403 E HA 0.006 4.493 4.350 0.228 0.000 0.195 403 E C -0.396 176.199 176.600 -0.008 0.000 1.029 403 E CA 0.258 56.656 56.400 -0.005 0.000 0.865 403 E CB 0.665 30.366 29.700 0.001 0.000 0.833 403 E HN -0.016 nan 8.360 nan 0.000 0.510 404 V N 2.025 121.933 119.914 -0.010 0.000 2.357 404 V HA 0.102 4.359 4.120 0.228 0.000 0.281 404 V C -1.878 174.205 176.094 -0.018 0.000 1.015 404 V CA -1.400 60.892 62.300 -0.014 0.000 0.827 404 V CB 1.471 33.286 31.823 -0.014 0.000 1.018 404 V HN -0.071 nan 8.190 nan 0.000 0.432 405 P HA -0.164 nan 4.420 nan 0.000 0.214 405 P C 0.570 177.854 177.300 -0.026 0.000 1.172 405 P CA 1.571 64.658 63.100 -0.022 0.000 0.925 405 P CB 0.284 31.971 31.700 -0.021 0.000 0.793 406 D N -1.820 118.562 120.400 -0.030 0.000 2.388 406 D HA 0.061 4.837 4.640 0.228 0.000 0.221 406 D C 0.074 176.347 176.300 -0.045 0.000 1.133 406 D CA 0.042 54.019 54.000 -0.038 0.000 0.831 406 D CB -0.254 40.521 40.800 -0.041 0.000 0.962 406 D HN 0.167 nan 8.370 nan 0.000 0.502 407 S N -0.508 115.170 115.700 -0.038 0.000 2.589 407 S HA 0.395 5.002 4.470 0.228 0.000 0.265 407 S C 0.153 174.725 174.600 -0.047 0.000 1.342 407 S CA -0.725 57.451 58.200 -0.040 0.000 1.005 407 S CB 1.837 65.022 63.200 -0.025 0.000 0.909 407 S HN -0.037 nan 8.310 nan 0.000 0.555 408 V N 1.174 121.055 119.914 -0.055 0.000 2.971 408 V HA 0.563 4.820 4.120 0.228 0.000 0.309 408 V C -1.326 174.740 176.094 -0.048 0.000 1.130 408 V CA -0.860 61.397 62.300 -0.073 0.000 0.964 408 V CB 2.090 33.839 31.823 -0.124 0.000 1.029 408 V HN 0.810 nan 8.190 nan 0.000 0.427 409 L N 4.497 125.692 121.223 -0.046 0.000 2.333 409 L HA 0.660 5.136 4.340 0.228 0.000 0.280 409 L C -1.633 175.247 176.870 0.017 0.000 1.004 409 L CA -0.056 54.775 54.840 -0.017 0.000 0.820 409 L CB 1.490 43.538 42.059 -0.020 0.000 1.247 409 L HN 0.743 nan 8.230 nan 0.000 0.416 410 W N 7.530 128.726 121.300 -0.173 0.000 2.361 410 W HA 0.645 5.144 4.660 -0.268 0.000 0.314 410 W C -1.699 174.778 176.519 -0.070 0.000 1.041 410 W CA -1.215 56.058 57.345 -0.120 0.000 1.241 410 W CB 1.010 30.422 29.460 -0.079 0.000 1.279 410 W HN 0.403 nan 8.180 nan 0.000 0.436 411 L N 5.368 126.711 121.223 0.201 0.000 2.323 411 L HA 0.471 4.947 4.340 0.228 0.000 0.265 411 L C 0.117 177.164 176.870 0.296 0.000 1.012 411 L CA -1.458 53.496 54.840 0.191 0.000 0.820 411 L CB 1.901 44.020 42.059 0.100 0.000 1.334 411 L HN 0.082 nan 8.230 nan 0.000 0.427 412 L N 1.428 122.823 121.223 0.287 0.000 2.462 412 L HA 0.078 4.555 4.340 0.228 0.000 0.272 412 L C 0.773 177.784 176.870 0.235 0.000 1.166 412 L CA 0.333 55.251 54.840 0.131 0.000 0.880 412 L CB 1.320 43.425 42.059 0.076 0.000 1.142 412 L HN 0.710 nan 8.230 nan 0.000 0.473 413 S N 3.038 118.861 115.700 0.206 0.000 2.560 413 S HA 0.369 4.976 4.470 0.228 0.000 0.284 413 S C 0.148 174.759 174.600 0.018 0.000 1.327 413 S CA -0.129 58.159 58.200 0.146 0.000 1.055 413 S CB 0.801 64.060 63.200 0.098 0.000 0.868 413 S HN 0.763 nan 8.310 nan 0.000 0.506 414 G N 3.547 112.305 108.800 -0.071 0.000 2.568 414 G HA2 0.671 4.767 3.960 0.228 0.000 0.313 414 G HA3 0.671 4.767 3.960 0.228 0.000 0.313 414 G C -3.106 171.730 174.900 -0.108 0.000 1.227 414 G CA -1.711 43.341 45.100 -0.080 0.000 0.979 414 G HN 0.607 nan 8.290 nan 0.000 0.486 415 P HA 0.280 nan 4.420 nan 0.000 0.270 415 P C 1.215 178.446 177.300 -0.115 0.000 1.223 415 P CA 1.009 64.056 63.100 -0.088 0.000 0.785 415 P CB 0.572 32.203 31.700 -0.116 0.000 0.923 416 G N 1.824 110.589 108.800 -0.058 0.000 2.698 416 G HA2 -0.313 3.784 3.960 0.228 0.000 0.337 416 G HA3 -0.313 3.784 3.960 0.228 0.000 0.337 416 G C 0.441 175.285 174.900 -0.093 0.000 1.286 416 G CA 0.338 45.408 45.100 -0.049 0.000 1.000 416 G HN 0.561 nan 8.290 nan 0.000 0.547 417 E N 1.499 121.631 120.200 -0.113 0.000 2.496 417 E HA 0.450 4.937 4.350 0.228 0.000 0.200 417 E C 2.237 178.721 176.600 -0.194 0.000 1.016 417 E CA 0.825 57.142 56.400 -0.137 0.000 0.962 417 E CB 0.072 29.709 29.700 -0.105 0.000 1.071 417 E HN 0.709 nan 8.360 nan 0.000 0.457 418 A N 1.610 124.300 122.820 -0.216 0.000 1.896 418 A HA -0.286 4.171 4.320 0.228 0.000 0.220 418 A C 1.687 179.092 177.584 -0.298 0.000 1.206 418 A CA 2.211 54.097 52.037 -0.252 0.000 0.647 418 A CB -0.390 18.480 19.000 -0.216 0.000 0.828 418 A HN 0.115 nan 8.150 nan 0.000 0.455 419 D N -0.317 119.829 120.400 -0.422 0.000 2.149 419 D HA -0.056 4.720 4.640 0.228 0.000 0.198 419 D C 2.157 178.194 176.300 -0.438 0.000 0.990 419 D CA 1.654 55.178 54.000 -0.795 0.000 0.839 419 D CB -0.445 39.664 40.800 -1.151 0.000 0.948 419 D HN 0.501 nan 8.370 nan 0.000 0.460 420 A N 0.648 123.308 122.820 -0.267 0.000 1.929 420 A HA -0.117 4.340 4.320 0.228 0.000 0.216 420 A C 2.129 179.657 177.584 -0.093 0.000 1.176 420 A CA 0.903 52.858 52.037 -0.135 0.000 0.628 420 A CB -0.304 18.629 19.000 -0.112 0.000 0.816 420 A HN 0.089 nan 8.150 nan 0.000 0.444 421 R N -0.926 119.483 120.500 -0.152 0.000 2.105 421 R HA -0.116 4.361 4.340 0.228 0.000 0.239 421 R C 1.684 177.910 176.300 -0.124 0.000 1.135 421 R CA 1.385 57.376 56.100 -0.181 0.000 0.967 421 R CB -0.454 29.647 30.300 -0.331 0.000 0.861 421 R HN 0.401 nan 8.270 nan 0.000 0.442 422 L N 0.016 121.200 121.223 -0.064 0.000 2.179 422 L HA -0.013 4.464 4.340 0.228 0.000 0.208 422 L C 2.350 179.376 176.870 0.259 0.000 1.096 422 L CA 1.351 56.270 54.840 0.132 0.000 0.779 422 L CB -0.410 41.793 42.059 0.241 0.000 0.922 422 L HN -0.006 nan 8.230 nan 0.000 0.443 423 R N -0.434 120.197 120.500 0.218 0.000 2.080 423 R HA -0.191 4.286 4.340 0.228 0.000 0.236 423 R C 2.306 178.703 176.300 0.161 0.000 1.137 423 R CA 1.601 57.822 56.100 0.202 0.000 0.943 423 R CB -0.547 29.846 30.300 0.155 0.000 0.846 423 R HN 0.382 nan 8.270 nan 0.000 0.431 424 A N 0.221 123.109 122.820 0.113 0.000 1.940 424 A HA -0.213 4.244 4.320 0.228 0.000 0.219 424 A C 1.961 179.666 177.584 0.202 0.000 1.176 424 A CA 1.292 53.399 52.037 0.117 0.000 0.631 424 A CB -0.652 18.384 19.000 0.061 0.000 0.814 424 A HN 0.438 nan 8.150 nan 0.000 0.446 425 F N 0.829 120.823 119.950 0.073 0.000 2.186 425 F HA 0.037 4.697 4.527 0.221 0.000 0.299 425 F C 2.460 178.345 175.800 0.142 0.000 1.090 425 F CA 0.889 58.962 58.000 0.122 0.000 1.307 425 F CB -0.394 38.694 39.000 0.146 0.000 1.019 425 F HN 0.241 nan 8.300 nan 0.000 0.489 426 A N -0.719 122.185 122.820 0.141 0.000 1.902 426 A HA -0.266 4.191 4.320 0.228 0.000 0.217 426 A C 2.032 179.604 177.584 -0.019 0.000 1.181 426 A CA 2.027 54.083 52.037 0.032 0.000 0.623 426 A CB -1.335 17.741 19.000 0.126 0.000 0.818 426 A HN 0.632 nan 8.150 nan 0.000 0.443 427 H N -0.225 118.826 119.070 -0.032 0.000 2.326 427 H HA 0.084 4.775 4.556 0.226 0.000 0.301 427 H C 2.201 177.488 175.328 -0.069 0.000 1.081 427 H CA 1.864 57.892 56.048 -0.032 0.000 1.334 427 H CB -0.243 29.519 29.762 0.000 0.000 1.385 427 H HN 0.384 nan 8.280 nan 0.000 0.504 428 A N 0.181 123.003 122.820 0.003 0.000 1.978 428 A HA -0.174 4.282 4.320 0.228 0.000 0.220 428 A C 1.969 179.424 177.584 -0.215 0.000 1.170 428 A CA 1.669 53.656 52.037 -0.083 0.000 0.636 428 A CB -0.233 18.750 19.000 -0.027 0.000 0.810 428 A HN 0.519 nan 8.150 nan 0.000 0.448 429 Q N -1.387 118.216 119.800 -0.328 0.000 2.320 429 Q HA 0.205 4.682 4.340 0.228 0.000 0.201 429 Q C 0.935 176.815 176.000 -0.200 0.000 0.910 429 Q CA 0.654 56.264 55.803 -0.320 0.000 0.946 429 Q CB 0.102 28.565 28.738 -0.459 0.000 1.062 429 Q HN 0.971 nan 8.270 nan 0.000 0.503 430 G N 0.341 109.016 108.800 -0.207 0.000 2.182 430 G HA2 -0.218 3.878 3.960 0.228 0.000 0.248 430 G HA3 -0.218 3.878 3.960 0.228 0.000 0.248 430 G C -0.113 174.702 174.900 -0.141 0.000 1.042 430 G CA 0.251 45.238 45.100 -0.188 0.000 0.775 430 G HN 0.190 nan 8.290 nan 0.000 0.501 431 V N -0.090 119.751 119.914 -0.122 0.000 2.680 431 V HA 0.540 4.797 4.120 0.228 0.000 0.309 431 V C 0.274 176.358 176.094 -0.017 0.000 1.052 431 V CA -0.787 61.478 62.300 -0.058 0.000 0.908 431 V CB 1.975 33.781 31.823 -0.029 0.000 1.001 431 V HN 0.380 nan 8.190 nan 0.000 0.431 432 D N 2.929 123.332 120.400 0.005 0.000 2.434 432 D HA 0.214 4.991 4.640 0.228 0.000 0.252 432 D C 1.061 177.401 176.300 0.067 0.000 1.185 432 D CA 0.608 54.639 54.000 0.052 0.000 0.886 432 D CB 1.691 42.509 40.800 0.029 0.000 1.148 432 D HN 0.688 nan 8.370 nan 0.000 0.483 433 A N 4.321 127.209 122.820 0.114 0.000 2.121 433 A HA -0.155 4.302 4.320 0.228 0.000 0.218 433 A C 1.699 179.334 177.584 0.085 0.000 1.154 433 A CA 0.906 53.011 52.037 0.114 0.000 0.679 433 A CB -0.196 18.879 19.000 0.125 0.000 0.795 433 A HN 0.595 nan 8.150 nan 0.000 0.458 434 Q N -0.391 119.443 119.800 0.056 0.000 2.444 434 Q HA 0.071 4.548 4.340 0.228 0.000 0.206 434 Q C 1.335 177.333 176.000 -0.003 0.000 0.948 434 Q CA 0.369 56.192 55.803 0.032 0.000 0.946 434 Q CB -0.080 28.671 28.738 0.023 0.000 1.027 434 Q HN 0.702 nan 8.270 nan 0.000 0.513 435 R N -0.178 120.318 120.500 -0.006 0.000 2.313 435 R HA 0.188 4.665 4.340 0.228 0.000 0.199 435 R C 0.232 176.491 176.300 -0.067 0.000 0.958 435 R CA 0.147 56.225 56.100 -0.036 0.000 1.047 435 R CB 0.329 30.615 30.300 -0.023 0.000 0.955 435 R HN 0.092 nan 8.270 nan 0.000 0.481 436 L N 1.661 122.837 121.223 -0.078 0.000 2.282 436 L HA 0.389 4.866 4.340 0.228 0.000 0.288 436 L C -0.400 176.290 176.870 -0.300 0.000 1.033 436 L CA -0.786 53.923 54.840 -0.218 0.000 0.807 436 L CB 1.778 43.685 42.059 -0.253 0.000 1.209 436 L HN -0.214 nan 8.230 nan 0.000 0.423 437 V N 3.189 122.919 119.914 -0.307 0.000 2.459 437 V HA 0.426 4.683 4.120 0.228 0.000 0.295 437 V C -0.547 175.467 176.094 -0.133 0.000 1.029 437 V CA -0.442 61.764 62.300 -0.157 0.000 0.874 437 V CB 1.748 33.481 31.823 -0.149 0.000 0.985 437 V HN 0.368 nan 8.190 nan 0.000 0.438 438 F N 4.031 124.128 119.950 0.245 0.000 2.375 438 F HA 0.520 5.206 4.527 0.265 0.000 0.361 438 F C 0.316 176.237 175.800 0.201 0.000 1.117 438 F CA -0.513 57.613 58.000 0.210 0.000 1.037 438 F CB 1.606 40.672 39.000 0.110 0.000 1.192 438 F HN 0.380 nan 8.300 nan 0.000 0.452 439 M N 7.509 127.292 119.600 0.306 0.000 2.184 439 M HA 0.295 4.912 4.480 0.228 0.000 0.351 439 M C -2.303 174.025 176.300 0.047 0.000 1.395 439 M CA -1.613 53.759 55.300 0.120 0.000 1.117 439 M CB 0.848 33.279 32.600 -0.283 0.000 1.708 439 M HN 0.229 nan 8.290 nan 0.000 0.468 440 P HA 0.041 nan 4.420 nan 0.000 0.272 440 P C -1.328 175.953 177.300 -0.031 0.000 1.230 440 P CA -0.105 63.008 63.100 0.023 0.000 0.788 440 P CB 0.454 32.176 31.700 0.037 0.000 0.949 441 K N 1.863 122.243 120.400 -0.033 0.000 2.451 441 K HA 0.168 4.625 4.320 0.228 0.000 0.280 441 K C -0.495 176.079 176.600 -0.044 0.000 1.020 441 K CA 0.020 56.272 56.287 -0.060 0.000 1.008 441 K CB -0.207 32.266 32.500 -0.045 0.000 0.917 441 K HN 0.408 nan 8.250 nan 0.000 0.478 442 L N 5.790 126.981 121.223 -0.053 0.000 2.341 442 L HA 0.449 4.926 4.340 0.228 0.000 0.267 442 L C -2.095 174.775 176.870 -0.000 0.000 1.009 442 L CA -2.602 52.232 54.840 -0.010 0.000 0.819 442 L CB 1.719 43.786 42.059 0.013 0.000 1.323 442 L HN 0.595 nan 8.230 nan 0.000 0.425 443 P HA -0.054 nan 4.420 nan 0.000 0.265 443 P C 0.200 177.556 177.300 0.093 0.000 1.187 443 P CA 0.158 63.281 63.100 0.039 0.000 0.766 443 P CB 0.446 32.168 31.700 0.037 0.000 0.820 444 H N 5.565 124.647 119.070 0.019 0.000 2.289 444 H HA -0.155 4.540 4.556 0.231 0.000 0.294 444 H C -0.912 174.536 175.328 0.200 0.000 1.095 444 H CA 2.678 58.789 56.048 0.105 0.000 1.256 444 H CB -1.395 28.395 29.762 0.046 0.000 1.359 444 H HN 0.424 nan 8.280 nan 0.000 0.487 445 P HA -0.116 nan 4.420 nan 0.000 0.219 445 P C 1.117 178.412 177.300 -0.009 0.000 1.146 445 P CA 1.744 64.851 63.100 0.011 0.000 0.808 445 P CB 0.007 31.744 31.700 0.061 0.000 0.779 446 Q N -1.926 117.886 119.800 0.021 0.000 2.096 446 Q HA -0.152 4.325 4.340 0.228 0.000 0.197 446 Q C 2.186 178.177 176.000 -0.014 0.000 0.964 446 Q CA 1.044 56.853 55.803 0.010 0.000 0.838 446 Q CB -0.708 28.045 28.738 0.024 0.000 0.906 446 Q HN 0.354 nan 8.270 nan 0.000 0.444 447 Y N 1.036 121.244 120.300 -0.153 0.000 2.181 447 Y HA -0.257 4.436 4.550 0.238 0.000 0.288 447 Y C 1.956 177.733 175.900 -0.204 0.000 1.146 447 Y CA 0.931 58.886 58.100 -0.241 0.000 1.164 447 Y CB -0.271 38.046 38.460 -0.238 0.000 0.982 447 Y HN 0.043 nan 8.280 nan 0.000 0.515 448 L N 1.454 122.470 121.223 -0.346 0.000 2.013 448 L HA -0.188 4.288 4.340 0.228 0.000 0.212 448 L C 2.691 179.482 176.870 -0.131 0.000 1.073 448 L CA 2.215 56.882 54.840 -0.287 0.000 0.753 448 L CB -1.423 40.530 42.059 -0.177 0.000 0.890 448 L HN 0.414 nan 8.230 nan 0.000 0.432 449 A N -1.068 121.684 122.820 -0.113 0.000 2.024 449 A HA -0.223 4.234 4.320 0.228 0.000 0.220 449 A C 2.221 179.752 177.584 -0.090 0.000 1.164 449 A CA 1.394 53.385 52.037 -0.077 0.000 0.643 449 A CB -0.524 18.441 19.000 -0.058 0.000 0.806 449 A HN 0.389 nan 8.150 nan 0.000 0.451 450 R N -1.116 119.294 120.500 -0.150 0.000 2.127 450 R HA -0.160 4.317 4.340 0.228 0.000 0.238 450 R C 1.710 178.011 176.300 0.002 0.000 1.134 450 R CA 1.496 57.553 56.100 -0.071 0.000 0.975 450 R CB -1.140 28.933 30.300 -0.379 0.000 0.865 450 R HN 0.782 nan 8.270 nan 0.000 0.447 451 Y N 0.817 121.103 120.300 -0.024 0.000 2.256 451 Y HA -0.188 4.495 4.550 0.220 0.000 0.288 451 Y C 2.355 178.303 175.900 0.079 0.000 1.155 451 Y CA 1.154 59.277 58.100 0.040 0.000 1.203 451 Y CB -0.170 38.272 38.460 -0.029 0.000 0.980 451 Y HN 0.033 nan 8.280 nan 0.000 0.530 452 R N -0.752 119.824 120.500 0.126 0.000 2.241 452 R HA -0.152 4.325 4.340 0.228 0.000 0.224 452 R C 1.132 177.479 176.300 0.078 0.000 1.101 452 R CA 1.007 57.127 56.100 0.034 0.000 0.995 452 R CB -0.302 29.938 30.300 -0.100 0.000 0.870 452 R HN 0.467 nan 8.270 nan 0.000 0.463 453 H N -0.534 118.669 119.070 0.222 0.000 2.563 453 H HA 0.264 4.942 4.556 0.203 0.000 0.264 453 H C 0.464 175.924 175.328 0.221 0.000 0.957 453 H CA 0.118 56.276 56.048 0.185 0.000 1.173 453 H CB 0.173 30.038 29.762 0.171 0.000 1.420 453 H HN 0.125 nan 8.280 nan 0.000 0.551 454 A N 0.642 123.720 122.820 0.429 0.000 2.327 454 A HA 0.223 4.680 4.320 0.228 0.000 0.283 454 A C 0.476 178.230 177.584 0.283 0.000 1.127 454 A CA -0.403 51.847 52.037 0.355 0.000 0.810 454 A CB 0.714 19.917 19.000 0.337 0.000 1.066 454 A HN 0.082 nan 8.150 nan 0.000 0.492 455 D N -0.343 120.190 120.400 0.222 0.000 2.394 455 D HA 0.219 4.996 4.640 0.228 0.000 0.226 455 D C -0.329 176.144 176.300 0.289 0.000 0.990 455 D CA 0.946 55.095 54.000 0.248 0.000 0.902 455 D CB 0.425 41.295 40.800 0.118 0.000 1.038 455 D HN 0.343 nan 8.370 nan 0.000 0.499 456 L N -0.177 121.145 121.223 0.166 0.000 2.565 456 L HA 0.368 4.845 4.340 0.228 0.000 0.261 456 L C -1.964 174.970 176.870 0.107 0.000 0.932 456 L CA -0.816 54.089 54.840 0.109 0.000 0.878 456 L CB 1.818 43.905 42.059 0.048 0.000 1.333 456 L HN -0.183 nan 8.230 nan 0.000 0.409 457 F N 5.537 125.486 119.950 -0.002 0.000 2.411 457 F HA 0.595 5.297 4.527 0.290 0.000 0.355 457 F C -0.735 175.083 175.800 0.031 0.000 1.117 457 F CA -0.430 57.573 58.000 0.005 0.000 1.139 457 F CB 0.748 39.757 39.000 0.015 0.000 1.120 457 F HN 0.399 nan 8.300 nan 0.000 0.493 458 L N 6.080 127.281 121.223 -0.038 0.000 2.255 458 L HA 0.243 4.720 4.340 0.228 0.000 0.289 458 L C -0.233 176.846 176.870 0.347 0.000 1.046 458 L CA -0.723 54.245 54.840 0.213 0.000 0.816 458 L CB 0.810 42.976 42.059 0.179 0.000 1.197 458 L HN 0.582 nan 8.230 nan 0.000 0.427 459 D N 1.977 122.725 120.400 0.580 0.000 2.344 459 D HA 0.228 5.005 4.640 0.228 0.000 0.244 459 D C 0.047 176.506 176.300 0.265 0.000 1.134 459 D CA -0.044 54.250 54.000 0.489 0.000 0.930 459 D CB 1.206 42.261 40.800 0.425 0.000 1.175 459 D HN 0.535 nan 8.370 nan 0.000 0.437 460 T N -0.566 114.106 114.554 0.196 0.000 2.944 460 T HA 0.559 5.046 4.350 0.228 0.000 0.284 460 T C -0.552 174.222 174.700 0.122 0.000 1.010 460 T CA -0.640 61.516 62.100 0.093 0.000 1.025 460 T CB 1.348 70.246 68.868 0.051 0.000 1.079 460 T HN 0.507 nan 8.240 nan 0.000 0.516 461 H N 0.868 119.917 119.070 -0.034 0.000 2.954 461 H HA 0.437 5.128 4.556 0.225 0.000 0.361 461 H C -2.476 172.821 175.328 -0.050 0.000 1.122 461 H CA -1.748 54.280 56.048 -0.032 0.000 1.217 461 H CB 2.581 32.292 29.762 -0.083 0.000 1.776 461 H HN 0.390 nan 8.280 nan 0.000 0.533 462 P HA 0.018 nan 4.420 nan 0.000 0.262 462 P C -0.647 176.479 177.300 -0.290 0.000 1.304 462 P CA 0.415 62.969 63.100 -0.910 0.000 0.859 462 P CB 0.088 31.343 31.700 -0.741 0.000 1.310 463 Y N 1.532 121.702 120.300 -0.218 0.000 2.593 463 Y HA 0.290 4.979 4.550 0.232 0.000 0.331 463 Y C 0.178 176.004 175.900 -0.123 0.000 0.986 463 Y CA -1.106 56.917 58.100 -0.128 0.000 1.262 463 Y CB 0.127 38.534 38.460 -0.088 0.000 1.098 463 Y HN -0.138 nan 8.280 nan 0.000 0.506 464 N N 2.851 121.680 118.700 0.214 0.000 2.374 464 N HA 0.129 5.006 4.740 0.228 0.000 0.241 464 N C -0.217 175.221 175.510 -0.119 0.000 1.262 464 N CA -0.183 52.935 53.050 0.113 0.000 0.880 464 N CB 0.599 39.237 38.487 0.251 0.000 1.105 464 N HN 0.657 nan 8.380 nan 0.000 0.438 465 A N 1.103 123.945 122.820 0.036 0.000 2.565 465 A HA -0.043 4.414 4.320 0.228 0.000 0.237 465 A C 0.010 177.643 177.584 0.082 0.000 1.053 465 A CA 0.638 52.698 52.037 0.038 0.000 0.755 465 A CB -0.077 18.996 19.000 0.122 0.000 0.980 465 A HN 0.876 nan 8.150 nan 0.000 0.506 466 H N 1.080 120.249 119.070 0.165 0.000 2.451 466 H HA 0.029 4.724 4.556 0.230 0.000 0.240 466 H C 1.874 177.263 175.328 0.102 0.000 1.071 466 H CA 0.467 56.624 56.048 0.181 0.000 1.477 466 H CB 0.223 30.163 29.762 0.296 0.000 1.376 466 H HN 0.621 nan 8.280 nan 0.000 0.549 467 T N -0.178 114.528 114.554 0.253 0.000 2.867 467 T HA -0.178 4.309 4.350 0.228 0.000 0.268 467 T C 1.946 176.741 174.700 0.159 0.000 1.057 467 T CA 1.829 64.021 62.100 0.153 0.000 1.136 467 T CB -0.333 68.619 68.868 0.141 0.000 0.874 467 T HN 0.333 nan 8.240 nan 0.000 0.466 468 T N 0.981 115.645 114.554 0.182 0.000 2.942 468 T HA 0.165 4.652 4.350 0.228 0.000 0.265 468 T C 2.151 176.831 174.700 -0.033 0.000 1.062 468 T CA 1.088 63.341 62.100 0.255 0.000 1.139 468 T CB -0.389 68.690 68.868 0.352 0.000 0.883 468 T HN 0.372 nan 8.240 nan 0.000 0.468 469 A N 0.120 122.853 122.820 -0.145 0.000 1.929 469 A HA 0.079 4.536 4.320 0.228 0.000 0.216 469 A C 2.635 180.126 177.584 -0.156 0.000 1.176 469 A CA 1.880 53.718 52.037 -0.332 0.000 0.628 469 A CB -1.145 17.732 19.000 -0.204 0.000 0.816 469 A HN 0.504 nan 8.150 nan 0.000 0.444 470 S N -0.216 115.470 115.700 -0.023 0.000 2.368 470 S HA -0.184 4.423 4.470 0.228 0.000 0.225 470 S C 1.687 176.356 174.600 0.116 0.000 1.030 470 S CA 1.736 59.981 58.200 0.074 0.000 0.999 470 S CB -0.476 62.747 63.200 0.039 0.000 0.844 470 S HN 0.581 nan 8.310 nan 0.000 0.459 471 D N 1.444 121.880 120.400 0.059 0.000 2.078 471 D HA -0.028 4.748 4.640 0.228 0.000 0.193 471 D C 2.310 178.434 176.300 -0.293 0.000 0.990 471 D CA 1.390 55.422 54.000 0.053 0.000 0.827 471 D CB -0.909 40.047 40.800 0.261 0.000 0.975 471 D HN 0.428 nan 8.370 nan 0.000 0.451 472 A N 0.781 123.189 122.820 -0.687 0.000 1.884 472 A HA -0.223 4.234 4.320 0.228 0.000 0.219 472 A C 2.446 179.794 177.584 -0.393 0.000 1.197 472 A CA 1.629 53.101 52.037 -0.943 0.000 0.637 472 A CB -1.044 17.530 19.000 -0.708 0.000 0.827 472 A HN 0.249 nan 8.150 nan 0.000 0.450 473 L N -2.163 118.966 121.223 -0.156 0.000 2.093 473 L HA -0.161 4.315 4.340 0.228 0.000 0.208 473 L C 2.562 179.420 176.870 -0.019 0.000 1.085 473 L CA 1.266 56.110 54.840 0.006 0.000 0.755 473 L CB -0.499 41.677 42.059 0.196 0.000 0.904 473 L HN 0.773 nan 8.230 nan 0.000 0.435 474 W N 1.323 122.479 121.300 -0.241 0.000 2.342 474 W HA -0.257 4.537 4.660 0.224 0.000 0.297 474 W C 2.363 178.679 176.519 -0.339 0.000 1.213 474 W CA 1.942 58.975 57.345 -0.520 0.000 1.251 474 W CB -0.066 29.151 29.460 -0.405 0.000 1.136 474 W HN 0.368 nan 8.180 nan 0.000 0.526 475 T N -2.452 111.932 114.554 -0.284 0.000 3.055 475 T HA 0.176 4.663 4.350 0.228 0.000 0.265 475 T C 1.557 176.102 174.700 -0.259 0.000 1.111 475 T CA 1.462 63.383 62.100 -0.298 0.000 1.118 475 T CB -0.241 68.556 68.868 -0.118 0.000 0.909 475 T HN 0.386 nan 8.240 nan 0.000 0.501 476 G N -0.169 108.491 108.800 -0.234 0.000 2.184 476 G HA2 -0.195 3.902 3.960 0.228 0.000 0.206 476 G HA3 -0.195 3.902 3.960 0.228 0.000 0.206 476 G C 0.215 175.058 174.900 -0.095 0.000 0.995 476 G CA -0.282 44.726 45.100 -0.153 0.000 0.651 476 G HN 0.857 nan 8.290 nan 0.000 0.511 477 C N 3.591 122.836 119.300 -0.091 0.000 2.325 477 C HA 0.727 5.324 4.460 0.228 0.000 0.347 477 C C -1.494 173.415 174.990 -0.135 0.000 1.263 477 C CA -2.091 56.886 59.018 -0.069 0.000 1.806 477 C CB 0.524 28.320 27.740 0.092 0.000 2.405 477 C HN 0.376 nan 8.230 nan 0.000 0.537 478 P HA 0.205 nan 4.420 nan 0.000 0.269 478 P C -0.996 176.288 177.300 -0.026 0.000 1.215 478 P CA 0.155 63.168 63.100 -0.145 0.000 0.780 478 P CB 0.546 32.124 31.700 -0.202 0.000 0.898 479 V N 3.351 123.255 119.914 -0.015 0.000 2.409 479 V HA 0.268 4.525 4.120 0.228 0.000 0.291 479 V C 0.127 176.263 176.094 0.070 0.000 1.020 479 V CA -0.718 61.613 62.300 0.052 0.000 0.848 479 V CB 1.422 33.211 31.823 -0.057 0.000 0.990 479 V HN 0.381 nan 8.190 nan 0.000 0.430 480 L N 4.768 126.062 121.223 0.119 0.000 2.295 480 L HA 0.842 5.319 4.340 0.228 0.000 0.285 480 L C 0.014 177.046 176.870 0.270 0.000 1.035 480 L CA 0.858 55.733 54.840 0.058 0.000 0.806 480 L CB 1.747 43.680 42.059 -0.211 0.000 1.214 480 L HN 0.821 nan 8.230 nan 0.000 0.426 481 T N 1.593 116.316 114.554 0.282 0.000 2.883 481 T HA 0.631 5.118 4.350 0.228 0.000 0.301 481 T C -0.978 173.919 174.700 0.328 0.000 1.158 481 T CA -0.101 62.212 62.100 0.355 0.000 1.007 481 T CB 1.381 70.394 68.868 0.241 0.000 1.186 481 T HN 0.711 nan 8.240 nan 0.000 0.499 482 T N 2.219 116.929 114.554 0.261 0.000 3.053 482 T HA 0.592 5.079 4.350 0.228 0.000 0.363 482 T C -2.888 171.904 174.700 0.153 0.000 1.239 482 T CA -1.718 60.477 62.100 0.158 0.000 1.071 482 T CB 0.513 69.381 68.868 0.001 0.000 1.089 482 T HN 0.318 nan 8.240 nan 0.000 0.527 483 P HA 0.299 nan 4.420 nan 0.000 0.264 483 P C 0.758 178.144 177.300 0.144 0.000 1.193 483 P CA 0.262 63.493 63.100 0.218 0.000 0.763 483 P CB 0.666 32.552 31.700 0.309 0.000 0.810 484 G N 2.151 111.061 108.800 0.183 0.000 2.849 484 G HA2 0.190 4.287 3.960 0.228 0.000 0.174 484 G HA3 0.190 4.287 3.960 0.228 0.000 0.174 484 G C 0.134 175.081 174.900 0.079 0.000 1.370 484 G CA -0.294 44.926 45.100 0.201 0.000 1.040 484 G HN 0.428 nan 8.290 nan 0.000 0.582 485 E N -0.918 119.323 120.200 0.069 0.000 2.526 485 E HA 0.164 4.650 4.350 0.228 0.000 0.208 485 E C 0.292 176.906 176.600 0.024 0.000 0.997 485 E CA 0.066 56.479 56.400 0.021 0.000 0.961 485 E CB 0.881 30.584 29.700 0.006 0.000 1.030 485 E HN 0.475 nan 8.360 nan 0.000 0.483 486 T N -2.909 111.659 114.554 0.023 0.000 2.932 486 T HA 0.250 4.737 4.350 0.228 0.000 0.289 486 T C 0.537 175.300 174.700 0.106 0.000 1.039 486 T CA -0.828 61.303 62.100 0.052 0.000 1.024 486 T CB 1.305 70.154 68.868 -0.031 0.000 1.090 486 T HN -0.018 nan 8.240 nan 0.000 0.496 487 F N 1.565 121.530 119.950 0.026 0.000 2.126 487 F HA 0.007 4.672 4.527 0.229 0.000 0.299 487 F C 2.500 178.285 175.800 -0.024 0.000 1.096 487 F CA 1.877 59.877 58.000 0.001 0.000 1.255 487 F CB -0.560 38.461 39.000 0.035 0.000 0.997 487 F HN 0.742 nan 8.300 nan 0.000 0.479 488 A N -0.227 122.706 122.820 0.188 0.000 2.121 488 A HA 0.130 4.587 4.320 0.228 0.000 0.218 488 A C 1.983 179.672 177.584 0.175 0.000 1.154 488 A CA 1.177 53.300 52.037 0.144 0.000 0.679 488 A CB -1.131 17.731 19.000 -0.230 0.000 0.795 488 A HN 0.436 nan 8.150 nan 0.000 0.458 489 A N -1.130 121.722 122.820 0.053 0.000 2.345 489 A HA 0.315 4.771 4.320 0.228 0.000 0.225 489 A C 1.573 179.240 177.584 0.139 0.000 1.243 489 A CA -0.101 51.980 52.037 0.073 0.000 0.875 489 A CB -0.062 18.902 19.000 -0.059 0.000 0.929 489 A HN 0.429 nan 8.150 nan 0.000 0.502 490 R N -1.080 119.468 120.500 0.080 0.000 2.476 490 R HA 0.167 4.644 4.340 0.228 0.000 0.276 490 R C 0.875 177.264 176.300 0.148 0.000 0.941 490 R CA 0.293 56.463 56.100 0.117 0.000 1.088 490 R CB 0.507 30.801 30.300 -0.011 0.000 1.216 490 R HN 0.319 nan 8.270 nan 0.000 0.533 491 V N 0.553 120.535 119.914 0.113 0.000 2.379 491 V HA -0.134 4.123 4.120 0.228 0.000 0.245 491 V C 2.438 178.667 176.094 0.226 0.000 1.044 491 V CA 2.136 64.541 62.300 0.174 0.000 1.036 491 V CB -0.455 31.532 31.823 0.274 0.000 0.664 491 V HN 0.315 nan 8.190 nan 0.000 0.453 492 A N 0.964 123.920 122.820 0.227 0.000 1.902 492 A HA -0.074 4.382 4.320 0.228 0.000 0.217 492 A C 2.389 180.017 177.584 0.073 0.000 1.181 492 A CA 1.928 54.047 52.037 0.138 0.000 0.623 492 A CB -1.219 17.871 19.000 0.149 0.000 0.818 492 A HN 0.529 nan 8.150 nan 0.000 0.443 493 G N -1.049 107.818 108.800 0.113 0.000 2.443 493 G HA2 -0.125 3.971 3.960 0.228 0.000 0.219 493 G HA3 -0.125 3.971 3.960 0.228 0.000 0.219 493 G C 1.852 176.434 174.900 -0.529 0.000 1.131 493 G CA 1.425 46.505 45.100 -0.033 0.000 0.775 493 G HN 0.584 nan 8.290 nan 0.000 0.547 494 S N -0.070 115.510 115.700 -0.199 0.000 2.368 494 S HA 0.020 4.627 4.470 0.228 0.000 0.224 494 S C 2.412 177.028 174.600 0.026 0.000 1.029 494 S CA 0.786 58.918 58.200 -0.113 0.000 0.988 494 S CB -0.242 63.183 63.200 0.375 0.000 0.838 494 S HN 0.331 nan 8.310 nan 0.000 0.462 495 L N 1.536 122.766 121.223 0.012 0.000 2.017 495 L HA -0.127 4.350 4.340 0.228 0.000 0.208 495 L C 2.531 179.356 176.870 -0.074 0.000 1.073 495 L CA 1.370 56.193 54.840 -0.030 0.000 0.745 495 L CB -0.984 41.046 42.059 -0.048 0.000 0.894 495 L HN 0.318 nan 8.230 nan 0.000 0.432 496 N N -0.455 118.181 118.700 -0.106 0.000 2.061 496 N HA -0.257 4.620 4.740 0.228 0.000 0.193 496 N C 1.844 177.247 175.510 -0.178 0.000 1.030 496 N CA 1.734 54.712 53.050 -0.119 0.000 0.856 496 N CB -0.571 37.856 38.487 -0.100 0.000 1.023 496 N HN 0.447 nan 8.380 nan 0.000 0.424 497 H N -0.145 118.657 119.070 -0.445 0.000 2.326 497 H HA 0.004 4.696 4.556 0.227 0.000 0.301 497 H C 1.545 176.643 175.328 -0.384 0.000 1.081 497 H CA 1.868 57.595 56.048 -0.535 0.000 1.334 497 H CB -0.304 28.833 29.762 -1.041 0.000 1.385 497 H HN 0.389 nan 8.280 nan 0.000 0.504 498 H N -0.933 117.978 119.070 -0.266 0.000 2.524 498 H HA -0.003 4.689 4.556 0.227 0.000 0.282 498 H C 1.741 176.951 175.328 -0.197 0.000 1.016 498 H CA 0.603 56.505 56.048 -0.244 0.000 1.270 498 H CB 0.350 30.055 29.762 -0.095 0.000 1.394 498 H HN 0.256 nan 8.280 nan 0.000 0.568 499 L N -1.007 120.163 121.223 -0.088 0.000 2.179 499 L HA 0.111 4.588 4.340 0.228 0.000 0.208 499 L C 1.785 178.609 176.870 -0.076 0.000 1.096 499 L CA 1.809 56.616 54.840 -0.055 0.000 0.779 499 L CB -0.731 41.311 42.059 -0.027 0.000 0.922 499 L HN 0.584 nan 8.230 nan 0.000 0.443 500 G N -0.997 107.718 108.800 -0.141 0.000 2.184 500 G HA2 -0.227 3.870 3.960 0.228 0.000 0.206 500 G HA3 -0.227 3.870 3.960 0.228 0.000 0.206 500 G C 0.559 175.411 174.900 -0.080 0.000 0.995 500 G CA 0.034 45.060 45.100 -0.123 0.000 0.651 500 G HN 0.261 nan 8.290 nan 0.000 0.511 501 L N 2.034 123.214 121.223 -0.073 0.000 2.672 501 L HA 0.242 4.719 4.340 0.228 0.000 0.238 501 L C 1.304 178.150 176.870 -0.039 0.000 1.392 501 L CA -0.339 54.472 54.840 -0.048 0.000 1.238 501 L CB -0.033 42.000 42.059 -0.044 0.000 1.548 501 L HN 0.109 nan 8.230 nan 0.000 0.423 502 D N 0.810 121.195 120.400 -0.025 0.000 2.218 502 D HA -0.194 4.583 4.640 0.228 0.000 0.204 502 D C 1.902 178.214 176.300 0.021 0.000 0.976 502 D CA 1.096 55.103 54.000 0.011 0.000 0.853 502 D CB 0.255 41.081 40.800 0.042 0.000 0.939 502 D HN 0.596 nan 8.370 nan 0.000 0.481 503 E N 0.578 120.783 120.200 0.008 0.000 2.409 503 E HA -0.150 4.337 4.350 0.228 0.000 0.198 503 E C 1.391 177.995 176.600 0.006 0.000 1.024 503 E CA 0.551 56.956 56.400 0.010 0.000 0.861 503 E CB -0.138 29.563 29.700 0.001 0.000 0.788 503 E HN 0.217 nan 8.360 nan 0.000 0.521 504 M N 0.923 120.524 119.600 0.001 0.000 2.428 504 M HA 0.175 4.792 4.480 0.228 0.000 0.239 504 M C -0.253 176.069 176.300 0.038 0.000 1.121 504 M CA 0.028 55.329 55.300 0.001 0.000 1.019 504 M CB -0.391 32.200 32.600 -0.014 0.000 1.485 504 M HN -0.101 nan 8.290 nan 0.000 0.484 505 N N 1.760 120.492 118.700 0.052 0.000 2.457 505 N HA 0.400 5.277 4.740 0.228 0.000 0.250 505 N C -0.412 175.161 175.510 0.106 0.000 0.982 505 N CA -0.109 53.002 53.050 0.102 0.000 0.941 505 N CB 1.855 40.413 38.487 0.118 0.000 1.120 505 N HN 0.037 nan 8.380 nan 0.000 0.505 506 V N -0.942 119.046 119.914 0.123 0.000 3.019 506 V HA 0.811 5.068 4.120 0.228 0.000 0.317 506 V C 1.097 177.250 176.094 0.098 0.000 1.094 506 V CA -0.780 61.581 62.300 0.103 0.000 1.000 506 V CB 1.413 33.295 31.823 0.098 0.000 1.060 506 V HN 0.445 nan 8.190 nan 0.000 0.443 507 A N 1.408 124.270 122.820 0.069 0.000 1.968 507 A HA 0.242 4.699 4.320 0.228 0.000 0.217 507 A C 0.737 178.333 177.584 0.020 0.000 1.169 507 A CA 1.871 53.934 52.037 0.043 0.000 0.638 507 A CB -0.917 18.101 19.000 0.030 0.000 0.812 507 A HN 1.385 nan 8.150 nan 0.000 0.446 508 D N -4.952 115.468 120.400 0.033 0.000 2.738 508 D HA 0.205 4.982 4.640 0.228 0.000 0.308 508 D C -0.459 175.852 176.300 0.019 0.000 1.311 508 D CA -0.305 53.687 54.000 -0.013 0.000 0.799 508 D CB -0.228 40.557 40.800 -0.025 0.000 1.332 508 D HN -0.198 nan 8.370 nan 0.000 0.441 509 D N -0.286 120.087 120.400 -0.045 0.000 2.133 509 D HA -0.158 4.619 4.640 0.228 0.000 0.195 509 D C 2.014 178.364 176.300 0.084 0.000 0.997 509 D CA 2.245 56.230 54.000 -0.026 0.000 0.840 509 D CB -0.484 40.271 40.800 -0.074 0.000 0.947 509 D HN 0.503 nan 8.370 nan 0.000 0.452 510 A N 0.993 123.844 122.820 0.052 0.000 1.902 510 A HA -0.040 4.417 4.320 0.228 0.000 0.217 510 A C 2.331 179.967 177.584 0.085 0.000 1.181 510 A CA 2.247 54.321 52.037 0.061 0.000 0.623 510 A CB -0.655 18.364 19.000 0.032 0.000 0.818 510 A HN 0.247 nan 8.150 nan 0.000 0.443 511 A N -1.382 121.491 122.820 0.089 0.000 1.930 511 A HA 0.021 4.478 4.320 0.228 0.000 0.217 511 A C 2.024 179.678 177.584 0.117 0.000 1.175 511 A CA 1.389 53.477 52.037 0.084 0.000 0.627 511 A CB -0.677 18.365 19.000 0.071 0.000 0.815 511 A HN 0.623 nan 8.150 nan 0.000 0.443 512 F N 0.981 120.935 119.950 0.006 0.000 2.026 512 F HA -0.227 4.432 4.527 0.220 0.000 0.296 512 F C 2.291 178.101 175.800 0.016 0.000 1.133 512 F CA 2.414 60.423 58.000 0.015 0.000 1.188 512 F CB -0.342 38.665 39.000 0.012 0.000 0.968 512 F HN 0.048 nan 8.300 nan 0.000 0.476 513 V N 0.784 120.882 119.914 0.306 0.000 2.324 513 V HA -0.366 3.891 4.120 0.228 0.000 0.250 513 V C 2.691 178.807 176.094 0.037 0.000 1.060 513 V CA 1.904 64.299 62.300 0.158 0.000 1.042 513 V CB -1.876 30.038 31.823 0.151 0.000 0.650 513 V HN 0.539 nan 8.190 nan 0.000 0.450 514 A N 0.232 123.074 122.820 0.037 0.000 1.877 514 A HA -0.269 4.188 4.320 0.228 0.000 0.216 514 A C 2.278 179.849 177.584 -0.021 0.000 1.186 514 A CA 2.334 54.377 52.037 0.009 0.000 0.620 514 A CB -0.519 18.492 19.000 0.018 0.000 0.822 514 A HN 0.507 nan 8.150 nan 0.000 0.443 515 K N 0.013 120.388 120.400 -0.043 0.000 2.057 515 K HA 0.013 4.470 4.320 0.228 0.000 0.207 515 K C 1.983 178.523 176.600 -0.100 0.000 1.049 515 K CA 1.597 57.843 56.287 -0.068 0.000 0.931 515 K CB -0.460 31.990 32.500 -0.083 0.000 0.714 515 K HN 0.328 nan 8.250 nan 0.000 0.440 516 A N 0.083 122.807 122.820 -0.161 0.000 1.873 516 A HA -0.082 4.375 4.320 0.228 0.000 0.215 516 A C 2.301 179.838 177.584 -0.078 0.000 1.186 516 A CA 1.718 53.657 52.037 -0.163 0.000 0.616 516 A CB -0.832 18.016 19.000 -0.254 0.000 0.823 516 A HN 0.121 nan 8.150 nan 0.000 0.442 517 V N 0.103 119.986 119.914 -0.052 0.000 2.287 517 V HA -0.299 3.958 4.120 0.228 0.000 0.248 517 V C 3.077 179.158 176.094 -0.023 0.000 1.053 517 V CA 2.054 64.338 62.300 -0.026 0.000 1.027 517 V CB -1.334 30.482 31.823 -0.011 0.000 0.646 517 V HN 0.630 nan 8.190 nan 0.000 0.447 518 A N -0.396 122.410 122.820 -0.025 0.000 1.892 518 A HA -0.216 4.241 4.320 0.228 0.000 0.218 518 A C 2.232 179.806 177.584 -0.016 0.000 1.188 518 A CA 2.165 54.191 52.037 -0.018 0.000 0.631 518 A CB -0.569 18.421 19.000 -0.017 0.000 0.822 518 A HN 0.507 nan 8.150 nan 0.000 0.447 519 L N -1.172 120.037 121.223 -0.022 0.000 2.072 519 L HA -0.106 4.371 4.340 0.228 0.000 0.205 519 L C 3.080 179.948 176.870 -0.003 0.000 1.079 519 L CA 0.932 55.766 54.840 -0.011 0.000 0.752 519 L CB -0.427 41.622 42.059 -0.016 0.000 0.906 519 L HN 0.431 nan 8.230 nan 0.000 0.436 520 A N -0.220 122.592 122.820 -0.012 0.000 1.930 520 A HA -0.176 4.281 4.320 0.228 0.000 0.217 520 A C 2.381 179.959 177.584 -0.011 0.000 1.175 520 A CA 1.799 53.831 52.037 -0.009 0.000 0.627 520 A CB -0.558 18.432 19.000 -0.015 0.000 0.815 520 A HN 0.491 nan 8.150 nan 0.000 0.443 521 S N -1.277 114.416 115.700 -0.012 0.000 2.593 521 S HA 0.088 4.694 4.470 0.228 0.000 0.217 521 S C 0.095 174.689 174.600 -0.011 0.000 0.966 521 S CA 0.515 58.707 58.200 -0.012 0.000 0.914 521 S CB -0.049 63.143 63.200 -0.012 0.000 0.776 521 S HN 0.402 nan 8.310 nan 0.000 0.523 522 D N 1.718 122.113 120.400 -0.008 0.000 2.375 522 D HA 0.352 5.129 4.640 0.228 0.000 0.259 522 D C -1.950 174.348 176.300 -0.003 0.000 1.235 522 D CA -2.293 51.703 54.000 -0.006 0.000 0.924 522 D CB 1.919 42.716 40.800 -0.004 0.000 1.143 522 D HN -0.039 nan 8.370 nan 0.000 0.529 523 P HA -0.109 nan 4.420 nan 0.000 0.218 523 P C 1.154 178.451 177.300 -0.006 0.000 1.149 523 P CA 0.728 63.822 63.100 -0.011 0.000 0.817 523 P CB 0.309 31.996 31.700 -0.022 0.000 0.785 524 A N 0.419 123.236 122.820 -0.005 0.000 1.969 524 A HA 0.016 4.473 4.320 0.228 0.000 0.218 524 A C 2.435 180.024 177.584 0.009 0.000 1.169 524 A CA 1.887 53.923 52.037 -0.001 0.000 0.635 524 A CB -1.328 17.670 19.000 -0.003 0.000 0.810 524 A HN 0.244 nan 8.150 nan 0.000 0.445 525 A N -0.786 122.041 122.820 0.011 0.000 1.930 525 A HA 0.138 4.595 4.320 0.228 0.000 0.215 525 A C 2.042 179.649 177.584 0.038 0.000 1.176 525 A CA 1.399 53.446 52.037 0.017 0.000 0.632 525 A CB -0.495 18.511 19.000 0.010 0.000 0.819 525 A HN 0.510 nan 8.150 nan 0.000 0.445 526 L N -0.045 121.206 121.223 0.047 0.000 2.017 526 L HA -0.120 4.357 4.340 0.228 0.000 0.208 526 L C 2.484 179.451 176.870 0.162 0.000 1.073 526 L CA 2.777 57.679 54.840 0.103 0.000 0.745 526 L CB -1.187 40.913 42.059 0.068 0.000 0.894 526 L HN 0.364 nan 8.230 nan 0.000 0.432 527 T N -0.125 114.465 114.554 0.059 0.000 2.684 527 T HA -0.206 4.281 4.350 0.228 0.000 0.267 527 T C 1.880 176.624 174.700 0.073 0.000 1.036 527 T CA 1.483 63.603 62.100 0.034 0.000 1.148 527 T CB -0.554 68.308 68.868 -0.010 0.000 0.863 527 T HN 0.528 nan 8.240 nan 0.000 0.436 528 A N 0.978 123.829 122.820 0.052 0.000 1.940 528 A HA -0.033 4.424 4.320 0.228 0.000 0.219 528 A C 2.224 179.837 177.584 0.048 0.000 1.176 528 A CA 1.306 53.367 52.037 0.040 0.000 0.631 528 A CB -0.702 18.312 19.000 0.023 0.000 0.814 528 A HN 0.422 nan 8.150 nan 0.000 0.446 529 L N -0.771 120.492 121.223 0.067 0.000 2.072 529 L HA -0.120 4.357 4.340 0.228 0.000 0.205 529 L C 2.331 179.197 176.870 -0.007 0.000 1.079 529 L CA 2.084 56.938 54.840 0.023 0.000 0.752 529 L CB -0.835 41.228 42.059 0.006 0.000 0.906 529 L HN 0.529 nan 8.230 nan 0.000 0.436 530 H N -0.528 118.536 119.070 -0.011 0.000 2.352 530 H HA -0.114 4.568 4.556 0.209 0.000 0.299 530 H C 2.078 177.390 175.328 -0.026 0.000 1.097 530 H CA 1.379 57.417 56.048 -0.018 0.000 1.311 530 H CB -0.121 29.631 29.762 -0.015 0.000 1.377 530 H HN 0.532 nan 8.280 nan 0.000 0.504 531 A N 1.239 124.119 122.820 0.099 0.000 1.940 531 A HA -0.205 4.252 4.320 0.228 0.000 0.219 531 A C 2.453 180.044 177.584 0.012 0.000 1.176 531 A CA 1.609 53.669 52.037 0.039 0.000 0.631 531 A CB -0.512 18.505 19.000 0.029 0.000 0.814 531 A HN 0.303 nan 8.150 nan 0.000 0.446 532 R N -0.533 119.971 120.500 0.007 0.000 2.073 532 R HA -0.043 4.434 4.340 0.228 0.000 0.229 532 R C 1.963 178.255 176.300 -0.013 0.000 1.120 532 R CA 1.464 57.561 56.100 -0.005 0.000 0.967 532 R CB -0.355 29.940 30.300 -0.008 0.000 0.862 532 R HN 0.292 nan 8.270 nan 0.000 0.436 533 V N 1.562 121.455 119.914 -0.034 0.000 2.324 533 V HA -0.287 3.970 4.120 0.228 0.000 0.250 533 V C 1.868 177.945 176.094 -0.028 0.000 1.060 533 V CA 2.337 64.613 62.300 -0.040 0.000 1.042 533 V CB -0.637 31.127 31.823 -0.099 0.000 0.650 533 V HN 0.455 nan 8.190 nan 0.000 0.450 534 D N -0.238 120.137 120.400 -0.041 0.000 2.092 534 D HA -0.170 4.607 4.640 0.228 0.000 0.193 534 D C 2.044 178.327 176.300 -0.028 0.000 0.994 534 D CA 1.678 55.644 54.000 -0.057 0.000 0.828 534 D CB -0.100 40.668 40.800 -0.053 0.000 0.963 534 D HN 0.193 nan 8.370 nan 0.000 0.450 535 V N 0.456 120.365 119.914 -0.009 0.000 2.252 535 V HA -0.266 3.991 4.120 0.228 0.000 0.249 535 V C 2.548 178.660 176.094 0.030 0.000 1.056 535 V CA 1.613 63.917 62.300 0.007 0.000 1.022 535 V CB -0.584 31.243 31.823 0.007 0.000 0.641 535 V HN 0.352 nan 8.190 nan 0.000 0.445 536 L N -0.868 120.375 121.223 0.035 0.000 2.291 536 L HA -0.091 4.385 4.340 0.228 0.000 0.214 536 L C 2.651 179.599 176.870 0.130 0.000 1.120 536 L CA 1.076 55.952 54.840 0.060 0.000 0.799 536 L CB -0.545 41.536 42.059 0.037 0.000 0.925 536 L HN 0.250 nan 8.230 nan 0.000 0.446 537 R N 0.258 120.840 120.500 0.135 0.000 2.081 537 R HA -0.155 4.321 4.340 0.228 0.000 0.235 537 R C 2.463 178.918 176.300 0.258 0.000 1.131 537 R CA 1.446 57.688 56.100 0.238 0.000 0.960 537 R CB 0.001 30.298 30.300 -0.004 0.000 0.856 537 R HN 0.202 nan 8.270 nan 0.000 0.436 538 R N -0.993 119.586 120.500 0.131 0.000 2.100 538 R HA 0.068 4.545 4.340 0.228 0.000 0.220 538 R C 1.889 178.287 176.300 0.164 0.000 1.091 538 R CA 1.066 57.246 56.100 0.134 0.000 0.986 538 R CB 0.093 30.427 30.300 0.058 0.000 0.888 538 R HN 0.214 nan 8.270 nan 0.000 0.444 539 A N 0.330 123.224 122.820 0.124 0.000 1.984 539 A HA 0.046 4.503 4.320 0.228 0.000 0.214 539 A C 0.995 178.634 177.584 0.092 0.000 1.173 539 A CA 0.524 52.619 52.037 0.096 0.000 0.673 539 A CB -0.105 18.928 19.000 0.055 0.000 0.830 539 A HN 0.409 nan 8.150 nan 0.000 0.453 540 S N -1.051 114.713 115.700 0.107 0.000 2.603 540 S HA 0.427 5.034 4.470 0.228 0.000 0.268 540 S C 1.271 175.932 174.600 0.102 0.000 1.317 540 S CA -0.019 58.225 58.200 0.074 0.000 1.012 540 S CB 1.195 64.425 63.200 0.049 0.000 0.926 540 S HN 0.551 nan 8.310 nan 0.000 0.539 541 G N 0.295 109.123 108.800 0.046 0.000 2.509 541 G HA2 -0.077 4.020 3.960 0.228 0.000 0.218 541 G HA3 -0.077 4.020 3.960 0.228 0.000 0.218 541 G C 1.094 176.050 174.900 0.093 0.000 1.124 541 G CA 0.493 45.629 45.100 0.059 0.000 0.776 541 G HN 0.621 nan 8.290 nan 0.000 0.547 542 V N -0.074 119.835 119.914 -0.007 0.000 2.380 542 V HA -0.125 4.132 4.120 0.228 0.000 0.251 542 V C 1.649 177.541 176.094 -0.337 0.000 1.063 542 V CA 1.356 63.520 62.300 -0.225 0.000 1.055 542 V CB -0.443 31.124 31.823 -0.426 0.000 0.657 542 V HN 0.434 nan 8.190 nan 0.000 0.455 543 F N -1.628 118.405 119.950 0.139 0.000 2.850 543 F HA 0.348 5.009 4.527 0.225 0.000 0.306 543 F C 0.739 176.589 175.800 0.084 0.000 1.162 543 F CA -0.186 57.868 58.000 0.090 0.000 1.327 543 F CB 0.182 39.323 39.000 0.235 0.000 0.953 543 F HN 0.107 nan 8.300 nan 0.000 0.507 544 H N 1.904 121.070 119.070 0.160 0.000 2.643 544 H HA 0.242 4.934 4.556 0.228 0.000 0.259 544 H C 1.025 176.419 175.328 0.111 0.000 1.298 544 H CA -0.131 55.993 56.048 0.126 0.000 1.301 544 H CB 0.807 30.636 29.762 0.111 0.000 1.422 544 H HN 0.157 nan 8.280 nan 0.000 0.521 545 M N 1.315 120.940 119.600 0.043 0.000 2.476 545 M HA -0.085 4.531 4.480 0.228 0.000 0.262 545 M C 1.080 177.438 176.300 0.096 0.000 1.079 545 M CA 0.550 55.867 55.300 0.028 0.000 1.104 545 M CB -0.295 32.224 32.600 -0.135 0.000 1.409 545 M HN 0.438 nan 8.290 nan 0.000 0.467 546 D N 0.380 120.835 120.400 0.091 0.000 2.097 546 D HA -0.080 4.697 4.640 0.228 0.000 0.195 546 D C 2.076 178.508 176.300 0.221 0.000 0.989 546 D CA 1.682 55.768 54.000 0.145 0.000 0.827 546 D CB -0.501 40.371 40.800 0.120 0.000 0.966 546 D HN 0.410 nan 8.370 nan 0.000 0.456 547 G N -0.250 108.754 108.800 0.340 0.000 2.402 547 G HA2 -0.260 3.837 3.960 0.228 0.000 0.216 547 G HA3 -0.260 3.837 3.960 0.228 0.000 0.216 547 G C 1.567 176.559 174.900 0.153 0.000 1.162 547 G CA 0.126 45.344 45.100 0.196 0.000 0.777 547 G HN 0.239 nan 8.290 nan 0.000 0.539 548 F N 2.032 122.021 119.950 0.066 0.000 2.171 548 F HA 0.007 4.671 4.527 0.228 0.000 0.300 548 F C 2.854 178.679 175.800 0.042 0.000 1.090 548 F CA 1.356 59.369 58.000 0.022 0.000 1.293 548 F CB 0.110 39.086 39.000 -0.040 0.000 1.013 548 F HN 0.237 nan 8.300 nan 0.000 0.486 549 A N -0.121 122.888 122.820 0.315 0.000 1.898 549 A HA -0.172 4.285 4.320 0.228 0.000 0.216 549 A C 1.904 179.609 177.584 0.202 0.000 1.181 549 A CA 1.845 54.029 52.037 0.244 0.000 0.620 549 A CB -0.873 18.216 19.000 0.148 0.000 0.819 549 A HN 0.379 nan 8.150 nan 0.000 0.442 550 D N -0.062 120.422 120.400 0.140 0.000 2.117 550 D HA -0.156 4.620 4.640 0.228 0.000 0.197 550 D C 1.588 177.925 176.300 0.061 0.000 0.987 550 D CA 1.737 55.794 54.000 0.094 0.000 0.829 550 D CB -0.492 40.352 40.800 0.072 0.000 0.961 550 D HN 0.613 nan 8.370 nan 0.000 0.460 551 D N -0.528 119.885 120.400 0.022 0.000 2.097 551 D HA -0.173 4.604 4.640 0.228 0.000 0.197 551 D C 1.907 178.189 176.300 -0.031 0.000 0.984 551 D CA 0.572 54.541 54.000 -0.052 0.000 0.826 551 D CB -0.287 40.415 40.800 -0.163 0.000 0.973 551 D HN 0.094 nan 8.370 nan 0.000 0.460 552 F N 0.673 120.529 119.950 -0.157 0.000 2.126 552 F HA 0.008 4.672 4.527 0.230 0.000 0.299 552 F C 2.190 177.960 175.800 -0.050 0.000 1.096 552 F CA 2.145 60.070 58.000 -0.124 0.000 1.255 552 F CB -0.617 38.372 39.000 -0.018 0.000 0.997 552 F HN 0.058 nan 8.300 nan 0.000 0.479 553 G N -0.501 108.357 108.800 0.096 0.000 2.404 553 G HA2 -0.187 3.909 3.960 0.228 0.000 0.215 553 G HA3 -0.187 3.909 3.960 0.228 0.000 0.215 553 G C 1.831 176.708 174.900 -0.038 0.000 1.174 553 G CA 0.769 45.882 45.100 0.022 0.000 0.780 553 G HN 0.603 nan 8.290 nan 0.000 0.537 554 A N 0.667 123.480 122.820 -0.011 0.000 1.883 554 A HA -0.002 4.455 4.320 0.228 0.000 0.217 554 A C 2.404 179.956 177.584 -0.053 0.000 1.186 554 A CA 1.637 53.669 52.037 -0.009 0.000 0.624 554 A CB -0.576 18.423 19.000 -0.001 0.000 0.822 554 A HN 0.454 nan 8.150 nan 0.000 0.444 555 L N -0.254 120.902 121.223 -0.112 0.000 2.012 555 L HA -0.203 4.274 4.340 0.228 0.000 0.210 555 L C 2.455 179.203 176.870 -0.202 0.000 1.073 555 L CA 1.735 56.480 54.840 -0.159 0.000 0.748 555 L CB -0.288 41.649 42.059 -0.203 0.000 0.891 555 L HN 0.458 nan 8.230 nan 0.000 0.431 556 L N -0.709 120.337 121.223 -0.295 0.000 1.990 556 L HA -0.301 4.176 4.340 0.228 0.000 0.213 556 L C 2.746 179.514 176.870 -0.170 0.000 1.072 556 L CA 1.800 56.476 54.840 -0.274 0.000 0.755 556 L CB -0.846 41.021 42.059 -0.320 0.000 0.889 556 L HN 0.431 nan 8.230 nan 0.000 0.432 557 Q N -0.335 119.411 119.800 -0.091 0.000 2.061 557 Q HA -0.230 4.247 4.340 0.228 0.000 0.204 557 Q C 2.415 178.497 176.000 0.136 0.000 0.984 557 Q CA 1.800 57.636 55.803 0.054 0.000 0.846 557 Q CB -0.295 28.563 28.738 0.200 0.000 0.902 557 Q HN 0.591 nan 8.270 nan 0.000 0.421 558 A N 0.767 123.621 122.820 0.057 0.000 1.930 558 A HA -0.157 4.300 4.320 0.228 0.000 0.217 558 A C 2.042 179.649 177.584 0.038 0.000 1.175 558 A CA 0.985 53.056 52.037 0.055 0.000 0.627 558 A CB -0.577 18.431 19.000 0.013 0.000 0.815 558 A HN 0.334 nan 8.150 nan 0.000 0.443 559 L N -0.078 121.125 121.223 -0.034 0.000 2.042 559 L HA -0.142 4.334 4.340 0.228 0.000 0.210 559 L C 2.626 179.540 176.870 0.073 0.000 1.076 559 L CA 2.291 57.101 54.840 -0.050 0.000 0.749 559 L CB -0.767 41.159 42.059 -0.221 0.000 0.893 559 L HN 0.350 nan 8.230 nan 0.000 0.432 560 A N -0.754 122.094 122.820 0.047 0.000 1.897 560 A HA -0.172 4.285 4.320 0.228 0.000 0.215 560 A C 2.401 180.166 177.584 0.301 0.000 1.181 560 A CA 1.497 53.591 52.037 0.095 0.000 0.620 560 A CB -0.475 18.434 19.000 -0.151 0.000 0.821 560 A HN 0.468 nan 8.150 nan 0.000 0.443 561 R N -0.821 119.879 120.500 0.334 0.000 2.120 561 R HA -0.063 4.414 4.340 0.228 0.000 0.234 561 R C 2.409 178.796 176.300 0.145 0.000 1.123 561 R CA 1.242 57.493 56.100 0.253 0.000 0.975 561 R CB -0.277 30.127 30.300 0.173 0.000 0.866 561 R HN 0.510 nan 8.270 nan 0.000 0.446 562 R N 0.288 120.861 120.500 0.121 0.000 2.152 562 R HA -0.123 4.354 4.340 0.228 0.000 0.232 562 R C 0.615 176.877 176.300 -0.062 0.000 1.117 562 R CA 1.315 57.433 56.100 0.030 0.000 0.981 562 R CB 0.014 30.332 30.300 0.030 0.000 0.870 562 R HN 0.450 nan 8.270 nan 0.000 0.451 563 H N -1.408 117.707 119.070 0.075 0.000 2.537 563 H HA 0.152 4.845 4.556 0.228 0.000 0.295 563 H C 0.736 176.118 175.328 0.090 0.000 1.054 563 H CA 0.624 56.716 56.048 0.073 0.000 1.156 563 H CB 0.966 30.766 29.762 0.064 0.000 1.468 563 H HN 0.568 nan 8.280 nan 0.000 0.551 564 G N 0.848 109.746 108.800 0.163 0.000 2.176 564 G HA2 -0.254 3.843 3.960 0.228 0.000 0.232 564 G HA3 -0.254 3.843 3.960 0.228 0.000 0.232 564 G C 0.025 175.038 174.900 0.189 0.000 0.986 564 G CA -0.086 45.094 45.100 0.134 0.000 0.643 564 G HN 0.406 nan 8.290 nan 0.000 0.522 565 W N 1.579 122.904 121.300 0.041 0.000 2.347 565 W HA 0.481 5.278 4.660 0.229 0.000 0.333 565 W C 1.097 177.627 176.519 0.018 0.000 1.383 565 W CA 0.658 58.019 57.345 0.028 0.000 1.283 565 W CB 0.203 29.680 29.460 0.028 0.000 1.253 565 W HN 0.104 nan 8.180 nan 0.000 0.563 566 L N 5.987 126.977 121.223 -0.388 0.000 2.590 566 L HA 0.351 4.828 4.340 0.228 0.000 0.227 566 L C 1.429 177.847 176.870 -0.754 0.000 1.099 566 L CA 0.589 55.179 54.840 -0.416 0.000 0.872 566 L CB -0.810 41.115 42.059 -0.224 0.000 1.088 566 L HN 0.790 nan 8.230 nan 0.000 0.479 567 G N 0.147 108.008 108.800 -1.564 0.000 2.352 567 G HA2 0.095 4.192 3.960 0.228 0.000 0.324 567 G HA3 0.095 4.192 3.960 0.228 0.000 0.324 567 G C -0.746 173.680 174.900 -0.789 0.000 1.249 567 G CA -0.491 43.516 45.100 -1.823 0.000 1.053 567 G HN -0.116 nan 8.290 nan 0.000 0.492 568 I N 0.000 120.357 120.570 -0.355 0.000 2.984 568 I HA 0.000 4.307 4.170 0.228 0.000 0.288 568 I CA 0.000 61.264 61.300 -0.060 0.000 1.566 568 I CB 0.000 37.957 38.000 -0.072 0.000 1.214 568 I HN 0.000 nan 8.210 nan 0.000 0.494