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 2jh9_1_A DATA FIRST_RESID 2 DATA SEQUENCE PEPHAVLYVT NELSHIVKDG FLPIWKLTGD ESLNDLWLEN GKYATDVYAY DATA SEQUENCE GDVSKWTIRQ LRGHGFIFIS THKNVQLADI IKTVDVRIPR EVARSHDMKA DATA SEQUENCE FENEIGRRRI RMRKGFGDAL RNYAFKMAIE FHGSEAETLN DANPRLHKIY DATA SEQUENCE GMPEIPPLYM EYAEIGTRFD DEPTDEKLVS MLDYIVYSAE EVHYIGCGDL DATA SEQUENCE RTLMQFKKRS PGRFRRVLWH VYDPIAPECS DPNVIVHNIM VDSKKDILKH DATA SEQUENCE MNFLKRVERL FIWDVSSDXX XXXXXEWETT RFAEDRLGEE IAYEMGGAFS DATA SEQUENCE SALIKHRIPN SKDEYHCIST YLFPQPGADA DMYELRNFMR LRGYSHVDRH DATA SEQUENCE MHPDASVTKV VSRDVRKMVE LYHGRDRGRF LKKRLFEHLH IVRKNGLLHE DATA SEQUENCE SDEPRADLFY LTNRCNMGLE PSIYEVMKKS VIATAWVGRA PLYDYDDFAL DATA SEQUENCE PRSTVMLNGS YRDIRILDGN GAILFLMWRY PDIVKKDLTY DPAWAMNFAV DATA SEQUENCE SLKEPIPDPP VPDISLCRFI GLRVESSVLR VRNPTXXXXX XXXXXXXXDL DATA SEQUENCE SGHLYVTLMS GAYVTDLFWW FKMILDWSAQ NREQKLRDLK RSAAEVIEWX DATA SEQUENCE XXXXXXXXXV RNDLIAALRE YKRKMGMREG ASIDSWLELL RHL 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 2 P HA 0.000 nan 4.420 nan 0.000 0.216 2 P C 0.000 177.217 177.300 -0.138 0.000 1.155 2 P CA 0.000 63.005 63.100 -0.159 0.000 0.800 2 P CB 0.000 31.570 31.700 -0.216 0.000 0.726 3 E N -0.785 119.310 120.200 -0.175 0.000 2.820 3 E HA 0.217 4.567 4.350 -0.000 0.000 0.210 3 E C -2.080 174.427 176.600 -0.154 0.000 1.005 3 E CA -0.002 56.307 56.400 -0.152 0.000 1.678 3 E CB -0.155 29.418 29.700 -0.211 0.000 2.013 3 E HN 0.284 nan 8.360 nan 0.000 1.011 4 P HA -0.054 nan 4.420 nan 0.000 0.264 4 P C -0.328 176.861 177.300 -0.186 0.000 1.179 4 P CA 0.980 63.896 63.100 -0.306 0.000 0.763 4 P CB 0.227 31.754 31.700 -0.288 0.000 0.806 5 H N 0.142 119.148 119.070 -0.107 0.000 2.869 5 H HA 0.831 5.387 4.556 -0.000 0.000 0.342 5 H C -1.230 174.041 175.328 -0.094 0.000 1.250 5 H CA -1.552 54.439 56.048 -0.095 0.000 1.217 5 H CB 1.357 31.063 29.762 -0.093 0.000 1.917 5 H HN 0.417 nan 8.280 nan 0.000 0.586 6 A N 1.111 123.994 122.820 0.105 0.000 2.324 6 A HA 0.462 4.782 4.320 -0.000 0.000 0.330 6 A C -0.314 177.245 177.584 -0.043 0.000 1.165 6 A CA -0.787 51.255 52.037 0.009 0.000 0.813 6 A CB 1.192 20.144 19.000 -0.080 0.000 1.197 6 A HN 0.417 nan 8.150 nan 0.000 0.484 7 V N 3.248 123.085 119.914 -0.129 0.000 2.415 7 V HA 0.075 4.195 4.120 -0.000 0.000 0.267 7 V C 0.122 175.973 176.094 -0.406 0.000 1.042 7 V CA 0.314 62.385 62.300 -0.382 0.000 1.000 7 V CB 0.136 31.469 31.823 -0.817 0.000 1.015 7 V HN 0.643 nan 8.190 nan 0.000 0.478 8 L N 6.675 127.699 121.223 -0.330 0.000 2.389 8 L HA 0.301 4.641 4.340 -0.000 0.000 0.265 8 L C -0.139 176.711 176.870 -0.033 0.000 1.167 8 L CA -0.328 54.386 54.840 -0.211 0.000 1.045 8 L CB -0.403 41.457 42.059 -0.331 0.000 1.351 8 L HN 0.615 nan 8.230 nan 0.000 0.419 9 Y N 3.572 123.768 120.300 -0.174 0.000 2.496 9 Y HA 0.340 4.890 4.550 -0.000 0.000 0.334 9 Y C 0.153 176.157 175.900 0.173 0.000 1.080 9 Y CA -0.641 57.466 58.100 0.010 0.000 1.355 9 Y CB 0.699 39.224 38.460 0.109 0.000 1.193 9 Y HN 0.259 nan 8.280 nan 0.000 0.523 10 V N 3.524 123.181 119.914 -0.427 0.000 2.667 10 V HA 0.671 4.791 4.120 -0.000 0.000 0.308 10 V C 0.082 175.850 176.094 -0.542 0.000 1.048 10 V CA -0.407 61.734 62.300 -0.265 0.000 0.928 10 V CB 1.165 32.951 31.823 -0.061 0.000 1.004 10 V HN 0.857 nan 8.190 nan 0.000 0.444 11 T N 0.323 114.769 114.554 -0.181 0.000 2.874 11 T HA 0.300 4.650 4.350 -0.000 0.000 0.281 11 T C 0.944 175.612 174.700 -0.054 0.000 0.994 11 T CA 0.478 62.551 62.100 -0.045 0.000 1.015 11 T CB 0.408 69.354 68.868 0.131 0.000 1.028 11 T HN 0.764 nan 8.240 nan 0.000 0.523 12 N N 1.214 119.937 118.700 0.038 0.000 2.073 12 N HA -0.254 4.486 4.740 -0.000 0.000 0.199 12 N C 1.987 177.492 175.510 -0.009 0.000 1.023 12 N CA 1.721 54.790 53.050 0.031 0.000 0.880 12 N CB -0.208 38.333 38.487 0.089 0.000 1.052 12 N HN 0.881 nan 8.380 nan 0.000 0.449 13 E N 0.874 121.085 120.200 0.019 0.000 2.267 13 E HA -0.187 4.163 4.350 -0.000 0.000 0.197 13 E C 1.562 178.171 176.600 0.016 0.000 0.998 13 E CA 1.008 57.433 56.400 0.043 0.000 0.830 13 E CB -0.175 29.552 29.700 0.045 0.000 0.751 13 E HN 0.332 nan 8.360 nan 0.000 0.491 14 L N 0.976 122.113 121.223 -0.144 0.000 2.307 14 L HA 0.111 4.451 4.340 -0.000 0.000 0.211 14 L C 2.484 179.044 176.870 -0.517 0.000 1.099 14 L CA 0.843 55.472 54.840 -0.351 0.000 0.816 14 L CB -0.926 40.936 42.059 -0.328 0.000 0.952 14 L HN 0.085 nan 8.230 nan 0.000 0.455 15 S N -0.222 115.252 115.700 -0.377 0.000 2.389 15 S HA -0.299 4.171 4.470 -0.000 0.000 0.229 15 S C 2.178 176.450 174.600 -0.546 0.000 1.048 15 S CA 2.017 59.880 58.200 -0.562 0.000 1.117 15 S CB -0.374 62.381 63.200 -0.741 0.000 1.020 15 S HN 0.693 nan 8.310 nan 0.000 0.430 16 H N 1.241 120.080 119.070 -0.385 0.000 2.362 16 H HA -0.154 4.402 4.556 -0.000 0.000 0.294 16 H C 2.147 177.306 175.328 -0.282 0.000 1.113 16 H CA 1.932 57.798 56.048 -0.303 0.000 1.253 16 H CB -1.396 28.218 29.762 -0.248 0.000 1.363 16 H HN 0.557 nan 8.280 nan 0.000 0.494 17 I N 1.015 121.152 120.570 -0.721 0.000 2.099 17 I HA -0.252 3.918 4.170 -0.000 0.000 0.239 17 I C 2.935 178.803 176.117 -0.414 0.000 1.066 17 I CA 1.252 62.248 61.300 -0.506 0.000 1.324 17 I CB -0.713 36.904 38.000 -0.638 0.000 1.037 17 I HN 0.036 nan 8.210 nan 0.000 0.401 18 V N 1.451 121.058 119.914 -0.512 0.000 2.280 18 V HA -0.401 3.719 4.120 -0.000 0.000 0.258 18 V C 2.448 178.325 176.094 -0.361 0.000 1.081 18 V CA 2.253 64.232 62.300 -0.535 0.000 1.070 18 V CB -0.853 30.630 31.823 -0.567 0.000 0.666 18 V HN 0.465 nan 8.190 nan 0.000 0.450 19 K N -0.509 119.731 120.400 -0.268 0.000 2.442 19 K HA -0.181 4.139 4.320 -0.000 0.000 0.199 19 K C 1.427 177.924 176.600 -0.171 0.000 1.044 19 K CA 1.336 57.528 56.287 -0.158 0.000 0.941 19 K CB -0.305 32.129 32.500 -0.110 0.000 0.759 19 K HN 0.522 nan 8.250 nan 0.000 0.472 20 D N 0.572 120.837 120.400 -0.224 0.000 2.323 20 D HA -0.000 4.640 4.640 -0.000 0.000 0.209 20 D C 1.212 177.238 176.300 -0.456 0.000 0.973 20 D CA 0.382 54.223 54.000 -0.264 0.000 0.874 20 D CB -0.116 40.558 40.800 -0.210 0.000 0.930 20 D HN 0.213 nan 8.370 nan 0.000 0.521 21 G N -0.663 107.892 108.800 -0.408 0.000 2.527 21 G HA2 0.132 4.092 3.960 -0.000 0.000 0.279 21 G HA3 0.132 4.092 3.960 -0.000 0.000 0.279 21 G C 0.096 174.557 174.900 -0.730 0.000 1.374 21 G CA -0.319 44.496 45.100 -0.475 0.000 1.053 21 G HN 0.149 nan 8.290 nan 0.000 0.539 22 F N -1.358 118.636 119.950 0.073 0.000 2.746 22 F HA 0.390 4.917 4.527 -0.000 0.000 0.320 22 F C 0.833 176.669 175.800 0.060 0.000 1.097 22 F CA -0.331 57.701 58.000 0.055 0.000 1.195 22 F CB 0.292 39.314 39.000 0.037 0.000 1.056 22 F HN -0.068 nan 8.300 nan 0.000 0.562 23 L N 1.720 123.061 121.223 0.198 0.000 2.418 23 L HA 0.335 4.675 4.340 -0.000 0.000 0.265 23 L C -1.952 174.973 176.870 0.092 0.000 1.143 23 L CA -1.893 53.021 54.840 0.123 0.000 0.809 23 L CB 0.348 42.473 42.059 0.110 0.000 1.124 23 L HN -0.209 nan 8.230 nan 0.000 0.456 24 P HA 0.161 nan 4.420 nan 0.000 0.270 24 P C -1.198 176.069 177.300 -0.055 0.000 1.223 24 P CA 0.023 63.080 63.100 -0.070 0.000 0.785 24 P CB 0.478 32.039 31.700 -0.232 0.000 0.923 25 I N 1.134 121.708 120.570 0.007 0.000 2.439 25 I HA 0.269 4.439 4.170 -0.000 0.000 0.283 25 I C -0.930 175.276 176.117 0.148 0.000 1.023 25 I CA -0.359 61.011 61.300 0.117 0.000 1.100 25 I CB 0.901 39.017 38.000 0.193 0.000 1.238 25 I HN 0.314 nan 8.210 nan 0.000 0.445 26 W N 7.793 129.017 121.300 -0.126 0.000 2.332 26 W HA 0.420 5.080 4.660 -0.000 0.000 0.306 26 W C -0.157 176.271 176.519 -0.152 0.000 1.149 26 W CA -1.232 56.081 57.345 -0.054 0.000 1.271 26 W CB 0.880 30.328 29.460 -0.020 0.000 1.243 26 W HN 0.402 nan 8.180 nan 0.000 0.459 27 K N 7.781 128.212 120.400 0.051 0.000 2.263 27 K HA 0.438 4.758 4.320 -0.000 0.000 0.272 27 K C -0.964 175.466 176.600 -0.283 0.000 1.033 27 K CA -0.339 55.724 56.287 -0.374 0.000 0.884 27 K CB 0.369 32.732 32.500 -0.228 0.000 1.107 27 K HN 0.597 nan 8.250 nan 0.000 0.460 28 L N 1.922 122.912 121.223 -0.389 0.000 2.304 28 L HA 0.534 4.874 4.340 -0.000 0.000 0.268 28 L C 0.144 176.959 176.870 -0.093 0.000 1.010 28 L CA -1.103 53.618 54.840 -0.199 0.000 0.813 28 L CB 1.722 43.654 42.059 -0.211 0.000 1.315 28 L HN 0.850 nan 8.230 nan 0.000 0.445 29 T N 0.111 114.664 114.554 -0.002 0.000 3.846 29 T HA -0.093 4.257 4.350 -0.000 0.000 0.383 29 T C 0.702 175.436 174.700 0.056 0.000 0.761 29 T CA 0.327 62.445 62.100 0.031 0.000 2.070 29 T CB -1.113 67.782 68.868 0.044 0.000 1.785 29 T HN 1.164 nan 8.240 nan 0.000 0.859 30 G N 2.840 111.670 108.800 0.050 0.000 3.079 30 G HA2 0.327 4.287 3.960 -0.000 0.000 0.205 30 G HA3 0.327 4.287 3.960 -0.000 0.000 0.205 30 G C -0.006 174.914 174.900 0.033 0.000 1.203 30 G CA 0.613 45.736 45.100 0.037 0.000 0.929 30 G HN 1.098 nan 8.290 nan 0.000 0.498 31 D N -1.931 118.519 120.400 0.083 0.000 2.251 31 D HA 0.237 4.877 4.640 -0.000 0.000 0.210 31 D C -0.413 175.966 176.300 0.132 0.000 1.304 31 D CA -0.920 53.141 54.000 0.102 0.000 0.912 31 D CB -0.575 40.257 40.800 0.053 0.000 1.553 31 D HN 0.036 nan 8.370 nan 0.000 0.526 32 E N 0.218 120.529 120.200 0.185 0.000 5.940 32 E HA -0.066 4.284 4.350 -0.000 0.000 0.304 32 E C -0.229 176.575 176.600 0.340 0.000 1.429 32 E CA 1.168 57.737 56.400 0.281 0.000 1.225 32 E CB -0.501 29.410 29.700 0.352 0.000 0.904 32 E HN 0.675 nan 8.360 nan 0.000 0.317 33 S N 2.027 117.920 115.700 0.322 0.000 2.713 33 S HA 0.514 4.984 4.470 -0.000 0.000 0.277 33 S C 0.883 175.756 174.600 0.454 0.000 1.168 33 S CA -0.539 57.880 58.200 0.366 0.000 0.994 33 S CB 1.257 64.606 63.200 0.248 0.000 1.054 33 S HN 0.468 nan 8.310 nan 0.000 0.555 34 L N 1.010 122.496 121.223 0.438 0.000 2.044 34 L HA 0.169 4.509 4.340 -0.000 0.000 0.205 34 L C 1.887 178.858 176.870 0.169 0.000 1.075 34 L CA 1.829 56.805 54.840 0.228 0.000 0.747 34 L CB -1.434 40.798 42.059 0.287 0.000 0.903 34 L HN 0.811 nan 8.230 nan 0.000 0.435 35 N N -0.469 118.363 118.700 0.220 0.000 2.571 35 N HA -0.145 4.595 4.740 -0.000 0.000 0.189 35 N C 1.195 176.869 175.510 0.273 0.000 1.154 35 N CA 0.592 53.781 53.050 0.231 0.000 0.907 35 N CB -0.105 38.489 38.487 0.178 0.000 0.977 35 N HN 0.376 nan 8.380 nan 0.000 0.449 36 D N -0.615 119.938 120.400 0.254 0.000 2.149 36 D HA 0.001 4.641 4.640 -0.000 0.000 0.201 36 D C 1.781 178.269 176.300 0.314 0.000 0.972 36 D CA 0.653 54.811 54.000 0.263 0.000 0.835 36 D CB 0.117 41.074 40.800 0.262 0.000 0.966 36 D HN 0.243 nan 8.370 nan 0.000 0.476 37 L N -1.021 120.381 121.223 0.299 0.000 2.005 37 L HA -0.087 4.253 4.340 -0.000 0.000 0.207 37 L C 2.304 179.474 176.870 0.500 0.000 1.072 37 L CA 0.936 56.024 54.840 0.413 0.000 0.744 37 L CB -0.625 41.435 42.059 0.002 0.000 0.895 37 L HN 0.193 nan 8.230 nan 0.000 0.433 38 W N 1.822 123.293 121.300 0.287 0.000 2.338 38 W HA -0.239 4.421 4.660 -0.000 0.000 0.304 38 W C 2.358 178.917 176.519 0.066 0.000 1.212 38 W CA 2.018 59.466 57.345 0.172 0.000 1.264 38 W CB -0.057 29.456 29.460 0.088 0.000 1.142 38 W HN 0.178 nan 8.180 nan 0.000 0.512 39 L N -0.786 120.625 121.223 0.312 0.000 2.109 39 L HA -0.008 4.332 4.340 -0.000 0.000 0.207 39 L C 2.048 178.818 176.870 -0.166 0.000 1.086 39 L CA 1.867 56.749 54.840 0.070 0.000 0.760 39 L CB -1.363 40.820 42.059 0.207 0.000 0.910 39 L HN -0.157 nan 8.230 nan 0.000 0.437 40 E N 0.802 120.913 120.200 -0.147 0.000 2.006 40 E HA -0.204 4.146 4.350 -0.000 0.000 0.192 40 E C 2.095 178.224 176.600 -0.786 0.000 0.993 40 E CA 1.248 57.382 56.400 -0.444 0.000 0.808 40 E CB -0.704 28.781 29.700 -0.359 0.000 0.764 40 E HN 0.549 nan 8.360 nan 0.000 0.449 41 N N 0.890 119.165 118.700 -0.709 0.000 2.184 41 N HA -0.143 4.597 4.740 -0.000 0.000 0.190 41 N C 1.664 176.939 175.510 -0.393 0.000 1.011 41 N CA 1.427 54.170 53.050 -0.511 0.000 0.867 41 N CB -0.593 37.936 38.487 0.069 0.000 0.993 41 N HN 0.210 nan 8.380 nan 0.000 0.433 42 G N -0.390 108.112 108.800 -0.497 0.000 2.708 42 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.210 42 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.210 42 G C 1.395 176.041 174.900 -0.423 0.000 1.141 42 G CA 0.188 45.007 45.100 -0.469 0.000 0.788 42 G HN 0.354 nan 8.290 nan 0.000 0.531 43 K N -0.494 119.516 120.400 -0.649 0.000 2.314 43 K HA 0.066 4.386 4.320 -0.000 0.000 0.198 43 K C -0.285 175.995 176.600 -0.532 0.000 1.045 43 K CA 0.118 56.014 56.287 -0.652 0.000 0.988 43 K CB 0.249 32.235 32.500 -0.856 0.000 0.783 43 K HN 0.466 nan 8.250 nan 0.000 0.484 44 Y N 0.182 120.349 120.300 -0.221 0.000 2.383 44 Y HA 0.200 4.750 4.550 -0.000 0.000 0.344 44 Y C 1.165 176.975 175.900 -0.149 0.000 0.986 44 Y CA -0.911 57.016 58.100 -0.288 0.000 1.175 44 Y CB 1.272 39.385 38.460 -0.578 0.000 1.152 44 Y HN -0.037 nan 8.280 nan 0.000 0.511 45 A N 2.061 124.907 122.820 0.043 0.000 2.072 45 A HA 0.008 4.328 4.320 -0.000 0.000 0.216 45 A C 1.353 178.978 177.584 0.068 0.000 1.156 45 A CA 1.055 53.130 52.037 0.062 0.000 0.701 45 A CB -0.355 18.650 19.000 0.008 0.000 0.816 45 A HN 0.696 nan 8.150 nan 0.000 0.458 46 T N -2.436 112.108 114.554 -0.016 0.000 2.889 46 T HA 0.425 4.775 4.350 -0.000 0.000 0.278 46 T C -0.437 174.156 174.700 -0.178 0.000 0.995 46 T CA -0.732 61.339 62.100 -0.050 0.000 0.966 46 T CB 0.614 69.443 68.868 -0.064 0.000 1.237 46 T HN 0.112 nan 8.240 nan 0.000 0.591 47 D N 0.538 120.844 120.400 -0.156 0.000 2.378 47 D HA 0.403 5.043 4.640 -0.000 0.000 0.238 47 D C 0.321 176.351 176.300 -0.450 0.000 1.180 47 D CA 0.034 53.876 54.000 -0.264 0.000 0.895 47 D CB 1.134 41.796 40.800 -0.230 0.000 1.192 47 D HN 0.693 nan 8.370 nan 0.000 0.438 48 V N -1.573 118.017 119.914 -0.540 0.000 3.130 48 V HA 0.524 4.644 4.120 -0.000 0.000 0.310 48 V C -1.277 174.483 176.094 -0.558 0.000 1.158 48 V CA -1.043 60.893 62.300 -0.606 0.000 1.029 48 V CB 1.311 32.640 31.823 -0.824 0.000 1.057 48 V HN 0.315 nan 8.190 nan 0.000 0.436 49 Y N 0.923 121.112 120.300 -0.185 0.000 2.334 49 Y HA 0.847 5.397 4.550 -0.000 0.000 0.328 49 Y C 0.557 176.446 175.900 -0.019 0.000 1.130 49 Y CA 0.102 58.157 58.100 -0.075 0.000 1.163 49 Y CB 1.826 40.283 38.460 -0.006 0.000 1.207 49 Y HN 1.116 nan 8.280 nan 0.000 0.471 50 A N 3.686 126.600 122.820 0.155 0.000 2.422 50 A HA 0.807 5.127 4.320 -0.000 0.000 0.302 50 A C -1.758 175.865 177.584 0.066 0.000 1.041 50 A CA -0.683 51.416 52.037 0.104 0.000 0.708 50 A CB 0.808 19.849 19.000 0.069 0.000 1.257 50 A HN 0.772 nan 8.150 nan 0.000 0.414 51 Y N -0.291 119.976 120.300 -0.056 0.000 2.644 51 Y HA 0.868 5.418 4.550 -0.000 0.000 0.338 51 Y C 0.311 176.253 175.900 0.070 0.000 1.119 51 Y CA -0.845 57.178 58.100 -0.128 0.000 1.060 51 Y CB 0.751 39.121 38.460 -0.150 0.000 1.294 51 Y HN 2.245 nan 8.280 nan 0.000 0.472 52 G N 0.934 109.903 108.800 0.280 0.000 2.662 52 G HA2 -0.023 3.937 3.960 -0.000 0.000 0.686 52 G HA3 -0.023 3.937 3.960 -0.000 0.000 0.686 52 G C -1.493 173.564 174.900 0.262 0.000 1.271 52 G CA -0.546 44.675 45.100 0.202 0.000 0.816 52 G HN 1.130 nan 8.290 nan 0.000 0.608 53 D N -0.825 119.675 120.400 0.166 0.000 2.487 53 D HA 0.321 4.961 4.640 -0.000 0.000 0.243 53 D C 1.238 177.603 176.300 0.108 0.000 1.154 53 D CA 1.055 55.133 54.000 0.130 0.000 0.876 53 D CB 0.794 41.634 40.800 0.066 0.000 1.161 53 D HN 1.431 nan 8.370 nan 0.000 0.478 54 V N 1.418 121.378 119.914 0.078 0.000 2.864 54 V HA 0.175 4.295 4.120 -0.000 0.000 0.378 54 V C 1.048 177.113 176.094 -0.048 0.000 1.346 54 V CA 0.090 62.433 62.300 0.070 0.000 1.328 54 V CB -0.391 31.449 31.823 0.027 0.000 1.361 54 V HN 0.509 nan 8.190 nan 0.000 0.641 55 S N -0.558 115.071 115.700 -0.118 0.000 2.527 55 S HA 0.094 4.564 4.470 -0.000 0.000 0.222 55 S C 1.592 176.041 174.600 -0.252 0.000 0.985 55 S CA 0.061 58.181 58.200 -0.133 0.000 0.921 55 S CB -0.141 63.005 63.200 -0.090 0.000 0.772 55 S HN 0.547 nan 8.310 nan 0.000 0.529 56 K N 0.569 120.661 120.400 -0.513 0.000 2.155 56 K HA 0.044 4.364 4.320 -0.000 0.000 0.203 56 K C -0.107 176.106 176.600 -0.645 0.000 1.052 56 K CA 0.476 56.298 56.287 -0.774 0.000 0.948 56 K CB -0.052 31.650 32.500 -1.330 0.000 0.728 56 K HN 0.565 nan 8.250 nan 0.000 0.448 57 W N 1.745 122.991 121.300 -0.089 0.000 2.512 57 W HA 0.175 4.835 4.660 -0.000 0.000 0.335 57 W C 0.830 177.296 176.519 -0.089 0.000 1.088 57 W CA -1.108 56.176 57.345 -0.100 0.000 1.236 57 W CB 0.402 29.760 29.460 -0.170 0.000 1.307 57 W HN -0.139 nan 8.180 nan 0.000 0.567 58 T N -0.727 113.943 114.554 0.192 0.000 2.788 58 T HA 0.092 4.442 4.350 -0.000 0.000 0.287 58 T C 0.626 175.383 174.700 0.095 0.000 1.007 58 T CA -0.449 61.712 62.100 0.101 0.000 1.005 58 T CB 1.100 70.017 68.868 0.083 0.000 1.012 58 T HN 0.436 nan 8.240 nan 0.000 0.530 59 I N 0.750 121.370 120.570 0.083 0.000 2.193 59 I HA 0.012 4.182 4.170 -0.000 0.000 0.240 59 I C 2.731 178.942 176.117 0.157 0.000 1.084 59 I CA 1.105 62.478 61.300 0.122 0.000 1.365 59 I CB -0.486 37.580 38.000 0.109 0.000 1.064 59 I HN 0.664 nan 8.210 nan 0.000 0.410 60 R N -0.003 120.576 120.500 0.133 0.000 2.117 60 R HA -0.243 4.097 4.340 -0.000 0.000 0.243 60 R C 2.322 178.686 176.300 0.107 0.000 1.143 60 R CA 2.018 58.195 56.100 0.129 0.000 0.968 60 R CB -0.586 29.763 30.300 0.082 0.000 0.863 60 R HN 0.574 nan 8.270 nan 0.000 0.444 61 Q N 0.378 120.228 119.800 0.083 0.000 2.050 61 Q HA -0.091 4.249 4.340 -0.000 0.000 0.202 61 Q C 2.221 178.266 176.000 0.075 0.000 0.980 61 Q CA 1.212 57.059 55.803 0.074 0.000 0.840 61 Q CB -0.019 28.757 28.738 0.064 0.000 0.898 61 Q HN 0.352 nan 8.270 nan 0.000 0.424 62 L N 0.129 121.353 121.223 0.001 0.000 2.217 62 L HA -0.120 4.220 4.340 -0.000 0.000 0.211 62 L C 2.348 179.280 176.870 0.103 0.000 1.107 62 L CA 0.582 55.326 54.840 -0.159 0.000 0.783 62 L CB -0.200 41.717 42.059 -0.236 0.000 0.919 62 L HN 0.185 nan 8.230 nan 0.000 0.442 63 R N 0.052 120.665 120.500 0.188 0.000 2.075 63 R HA -0.008 4.332 4.340 -0.000 0.000 0.226 63 R C 2.255 178.669 176.300 0.190 0.000 1.114 63 R CA 1.164 57.388 56.100 0.206 0.000 0.972 63 R CB -1.143 29.336 30.300 0.298 0.000 0.869 63 R HN 0.319 nan 8.270 nan 0.000 0.437 64 G N 0.712 109.614 108.800 0.170 0.000 2.532 64 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.222 64 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.222 64 G C 1.268 176.216 174.900 0.081 0.000 1.102 64 G CA 0.780 45.941 45.100 0.101 0.000 0.742 64 G HN 0.407 nan 8.290 nan 0.000 0.577 65 H N -0.459 118.693 119.070 0.136 0.000 2.547 65 H HA 0.177 4.733 4.556 -0.000 0.000 0.272 65 H C 2.115 177.573 175.328 0.218 0.000 0.971 65 H CA 0.912 57.091 56.048 0.219 0.000 1.245 65 H CB 0.661 30.639 29.762 0.360 0.000 1.440 65 H HN 0.451 nan 8.280 nan 0.000 0.540 66 G N 0.437 109.407 108.800 0.284 0.000 2.148 66 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.157 66 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.157 66 G C -0.438 174.494 174.900 0.053 0.000 1.012 66 G CA -0.541 44.628 45.100 0.114 0.000 0.677 66 G HN 0.087 nan 8.290 nan 0.000 0.506 67 F N 0.840 120.717 119.950 -0.122 0.000 2.467 67 F HA 0.637 5.164 4.527 -0.000 0.000 0.362 67 F C 1.007 176.475 175.800 -0.553 0.000 1.090 67 F CA -0.330 57.467 58.000 -0.338 0.000 1.202 67 F CB 0.759 39.471 39.000 -0.480 0.000 1.113 67 F HN -0.008 nan 8.300 nan 0.000 0.541 68 I N 4.462 124.798 120.570 -0.390 0.000 2.474 68 I HA 0.303 4.473 4.170 -0.000 0.000 0.294 68 I C -0.972 174.973 176.117 -0.286 0.000 1.005 68 I CA -0.701 60.391 61.300 -0.346 0.000 1.113 68 I CB 1.468 39.380 38.000 -0.148 0.000 1.289 68 I HN 0.282 nan 8.210 nan 0.000 0.436 69 F N 6.831 126.904 119.950 0.206 0.000 2.361 69 F HA 0.484 5.011 4.527 -0.000 0.000 0.364 69 F C -0.202 175.724 175.800 0.209 0.000 1.120 69 F CA -0.591 57.581 58.000 0.287 0.000 1.102 69 F CB 0.662 39.811 39.000 0.248 0.000 1.183 69 F HN 0.109 nan 8.300 nan 0.000 0.476 70 I N 2.672 123.455 120.570 0.355 0.000 2.433 70 I HA 0.603 4.773 4.170 -0.000 0.000 0.292 70 I C -0.048 176.194 176.117 0.207 0.000 1.001 70 I CA -0.108 61.334 61.300 0.237 0.000 1.119 70 I CB 1.875 39.999 38.000 0.207 0.000 1.289 70 I HN 0.553 nan 8.210 nan 0.000 0.438 71 S N 1.951 117.734 115.700 0.139 0.000 2.643 71 S HA 0.462 4.932 4.470 -0.000 0.000 0.270 71 S C 0.591 175.158 174.600 -0.056 0.000 1.166 71 S CA 0.130 58.347 58.200 0.029 0.000 0.815 71 S CB 1.161 64.409 63.200 0.080 0.000 1.139 71 S HN 0.754 nan 8.310 nan 0.000 0.472 72 T N -0.404 113.996 114.554 -0.258 0.000 3.044 72 T HA 0.276 4.626 4.350 -0.000 0.000 0.255 72 T C 0.586 175.196 174.700 -0.151 0.000 1.073 72 T CA 0.628 62.591 62.100 -0.229 0.000 1.125 72 T CB -0.684 68.021 68.868 -0.273 0.000 0.908 72 T HN 0.721 nan 8.240 nan 0.000 0.480 73 H N 0.297 119.402 119.070 0.058 0.000 2.508 73 H HA 0.466 5.022 4.556 -0.000 0.000 0.358 73 H C 1.456 176.820 175.328 0.060 0.000 1.212 73 H CA -0.872 55.207 56.048 0.052 0.000 1.356 73 H CB 1.391 31.182 29.762 0.048 0.000 1.525 73 H HN -0.066 nan 8.280 nan 0.000 0.578 74 K N 0.524 121.028 120.400 0.172 0.000 2.211 74 K HA -0.127 4.193 4.320 -0.000 0.000 0.203 74 K C -0.395 176.260 176.600 0.092 0.000 1.050 74 K CA 1.327 57.678 56.287 0.107 0.000 0.945 74 K CB 0.053 32.600 32.500 0.078 0.000 0.732 74 K HN 0.801 nan 8.250 nan 0.000 0.451 75 N N -2.411 116.348 118.700 0.099 0.000 2.708 75 N HA 0.251 4.991 4.740 -0.000 0.000 0.257 75 N C -1.558 173.993 175.510 0.068 0.000 1.373 75 N CA -1.049 52.033 53.050 0.054 0.000 0.843 75 N CB 2.258 40.757 38.487 0.020 0.000 1.503 75 N HN -0.179 nan 8.380 nan 0.000 0.504 76 V N -0.445 119.473 119.914 0.006 0.000 2.735 76 V HA 0.600 4.720 4.120 -0.000 0.000 0.310 76 V C -1.144 174.931 176.094 -0.033 0.000 1.061 76 V CA -0.594 61.724 62.300 0.029 0.000 0.913 76 V CB 1.827 33.711 31.823 0.102 0.000 1.005 76 V HN 0.925 nan 8.190 nan 0.000 0.428 77 Q N 4.242 124.042 119.800 0.000 0.000 2.323 77 Q HA 0.491 4.831 4.340 -0.000 0.000 0.257 77 Q C -1.029 174.946 176.000 -0.042 0.000 1.022 77 Q CA 0.179 55.968 55.803 -0.022 0.000 0.919 77 Q CB 0.900 29.634 28.738 -0.006 0.000 1.220 77 Q HN 0.784 nan 8.270 nan 0.000 0.427 78 L N 2.404 123.588 121.223 -0.065 0.000 2.687 78 L HA 0.680 5.020 4.340 -0.000 0.000 0.252 78 L C 0.890 177.729 176.870 -0.052 0.000 1.115 78 L CA 0.310 55.112 54.840 -0.063 0.000 0.893 78 L CB 0.091 42.104 42.059 -0.076 0.000 1.670 78 L HN 0.747 nan 8.230 nan 0.000 0.531 79 A N -1.196 121.599 122.820 -0.042 0.000 1.942 79 A HA 0.013 4.333 4.320 -0.000 0.000 0.209 79 A C 1.669 179.242 177.584 -0.018 0.000 1.214 79 A CA 0.598 52.608 52.037 -0.044 0.000 0.686 79 A CB -0.432 18.532 19.000 -0.060 0.000 0.871 79 A HN 0.732 nan 8.150 nan 0.000 0.460 80 D N 0.222 120.622 120.400 0.000 0.000 2.095 80 D HA -0.032 4.608 4.640 -0.000 0.000 0.192 80 D C 1.026 177.329 176.300 0.005 0.000 0.990 80 D CA 2.030 56.038 54.000 0.014 0.000 0.836 80 D CB -0.026 40.792 40.800 0.030 0.000 0.979 80 D HN 0.572 nan 8.370 nan 0.000 0.447 81 I N -3.994 116.573 120.570 -0.005 0.000 3.524 81 I HA 0.377 4.547 4.170 -0.000 0.000 0.312 81 I C -1.015 175.084 176.117 -0.030 0.000 1.203 81 I CA -1.052 60.243 61.300 -0.009 0.000 0.974 81 I CB 1.628 39.632 38.000 0.005 0.000 1.352 81 I HN -0.324 nan 8.210 nan 0.000 0.475 82 I N 1.943 122.496 120.570 -0.028 0.000 2.460 82 I HA 0.374 4.544 4.170 -0.000 0.000 0.277 82 I C -0.338 175.748 176.117 -0.051 0.000 1.057 82 I CA -0.390 60.886 61.300 -0.040 0.000 1.179 82 I CB 0.975 38.964 38.000 -0.019 0.000 1.329 82 I HN 0.423 nan 8.210 nan 0.000 0.478 83 K N 3.526 123.860 120.400 -0.109 0.000 2.382 83 K HA 0.225 4.545 4.320 -0.000 0.000 0.275 83 K C -0.111 176.432 176.600 -0.095 0.000 1.009 83 K CA 0.103 56.307 56.287 -0.139 0.000 0.970 83 K CB 0.630 32.919 32.500 -0.351 0.000 0.934 83 K HN 0.410 nan 8.250 nan 0.000 0.479 84 T N 3.752 118.289 114.554 -0.028 0.000 2.752 84 T HA 0.103 4.453 4.350 -0.000 0.000 0.295 84 T C -0.382 174.342 174.700 0.040 0.000 0.923 84 T CA -0.579 61.533 62.100 0.021 0.000 1.112 84 T CB 0.328 69.231 68.868 0.057 0.000 0.884 84 T HN 0.363 nan 8.240 nan 0.000 0.525 85 V N 5.172 125.122 119.914 0.061 0.000 2.678 85 V HA -0.092 4.028 4.120 -0.000 0.000 0.304 85 V C 1.480 177.687 176.094 0.187 0.000 1.086 85 V CA 0.374 62.762 62.300 0.147 0.000 1.246 85 V CB 0.149 32.060 31.823 0.148 0.000 0.861 85 V HN 0.882 nan 8.190 nan 0.000 0.491 86 D N 3.452 124.021 120.400 0.282 0.000 2.084 86 D HA -0.070 4.570 4.640 -0.000 0.000 0.194 86 D C 0.589 176.981 176.300 0.153 0.000 0.990 86 D CA 1.353 55.490 54.000 0.228 0.000 0.826 86 D CB 0.146 41.097 40.800 0.252 0.000 0.971 86 D HN 0.421 nan 8.370 nan 0.000 0.453 87 V N 1.644 121.648 119.914 0.149 0.000 2.326 87 V HA 0.219 4.339 4.120 -0.000 0.000 0.281 87 V C 0.282 176.438 176.094 0.104 0.000 1.015 87 V CA -0.721 61.639 62.300 0.099 0.000 0.823 87 V CB 1.878 33.741 31.823 0.067 0.000 1.009 87 V HN -0.042 nan 8.190 nan 0.000 0.436 88 R N 5.247 125.796 120.500 0.083 0.000 2.210 88 R HA 0.345 4.685 4.340 -0.000 0.000 0.338 88 R C -0.479 175.855 176.300 0.056 0.000 1.062 88 R CA -0.609 55.532 56.100 0.069 0.000 0.902 88 R CB 0.471 30.808 30.300 0.061 0.000 1.050 88 R HN 0.520 nan 8.270 nan 0.000 0.461 89 I N 7.407 128.012 120.570 0.058 0.000 2.533 89 I HA 0.126 4.296 4.170 -0.000 0.000 0.284 89 I C -1.878 174.250 176.117 0.020 0.000 1.109 89 I CA -2.509 58.825 61.300 0.057 0.000 1.412 89 I CB 0.614 38.664 38.000 0.084 0.000 1.396 89 I HN 0.371 nan 8.210 nan 0.000 0.543 90 P HA 0.227 nan 4.420 nan 0.000 0.271 90 P C 0.944 178.236 177.300 -0.013 0.000 1.216 90 P CA -0.384 62.720 63.100 0.006 0.000 0.776 90 P CB 0.771 32.475 31.700 0.007 0.000 0.881 91 R N 2.139 122.632 120.500 -0.012 0.000 2.196 91 R HA -0.250 4.090 4.340 -0.000 0.000 0.234 91 R C 1.608 177.880 176.300 -0.046 0.000 1.113 91 R CA 2.089 58.174 56.100 -0.025 0.000 0.899 91 R CB -0.553 29.743 30.300 -0.007 0.000 0.863 91 R HN 0.614 nan 8.270 nan 0.000 0.430 92 E N -0.255 119.927 120.200 -0.031 0.000 2.396 92 E HA -0.138 4.212 4.350 -0.000 0.000 0.200 92 E C 1.527 178.098 176.600 -0.048 0.000 1.023 92 E CA 0.732 57.110 56.400 -0.036 0.000 0.857 92 E CB 0.128 29.817 29.700 -0.019 0.000 0.775 92 E HN 0.179 nan 8.360 nan 0.000 0.525 93 V N 0.283 120.170 119.914 -0.045 0.000 3.650 93 V HA 0.045 4.165 4.120 -0.000 0.000 0.271 93 V C 1.716 177.764 176.094 -0.078 0.000 1.281 93 V CA 0.734 63.012 62.300 -0.038 0.000 1.120 93 V CB 0.223 32.046 31.823 -0.000 0.000 0.856 93 V HN 0.239 nan 8.190 nan 0.000 0.443 94 A N 0.454 123.186 122.820 -0.147 0.000 1.830 94 A HA -0.134 4.186 4.320 -0.000 0.000 0.214 94 A C 2.229 179.546 177.584 -0.445 0.000 1.218 94 A CA 2.181 54.041 52.037 -0.295 0.000 0.628 94 A CB -0.157 18.653 19.000 -0.316 0.000 0.860 94 A HN 0.404 nan 8.150 nan 0.000 0.454 95 R N -4.934 115.218 120.500 -0.580 0.000 2.110 95 R HA 0.124 4.464 4.340 -0.000 0.000 0.136 95 R C 0.770 176.872 176.300 -0.329 0.000 0.787 95 R CA 1.018 56.763 56.100 -0.592 0.000 1.827 95 R CB 0.145 30.300 30.300 -0.241 0.000 1.418 95 R HN 0.581 nan 8.270 nan 0.000 0.467 96 S N -0.224 115.421 115.700 -0.092 0.000 4.148 96 S HA -0.276 4.194 4.470 -0.000 0.000 0.257 96 S C -0.260 174.328 174.600 -0.021 0.000 1.860 96 S CA 1.754 59.899 58.200 -0.091 0.000 4.239 96 S CB -0.852 62.272 63.200 -0.127 0.000 0.215 96 S HN 0.714 nan 8.310 nan 0.000 0.454 97 H N 1.842 120.868 119.070 -0.073 0.000 2.886 97 H HA -0.086 4.469 4.556 -0.000 0.000 0.294 97 H C -0.608 174.667 175.328 -0.089 0.000 1.246 97 H CA 0.815 56.794 56.048 -0.116 0.000 1.142 97 H CB -1.404 28.318 29.762 -0.067 0.000 1.358 97 H HN 0.451 nan 8.280 nan 0.000 0.406 98 D N 0.366 120.764 120.400 -0.004 0.000 2.312 98 D HA 0.089 4.729 4.640 -0.000 0.000 0.252 98 D C 1.184 177.503 176.300 0.032 0.000 1.150 98 D CA -0.434 53.576 54.000 0.017 0.000 0.870 98 D CB 1.004 41.819 40.800 0.025 0.000 1.153 98 D HN 0.174 nan 8.370 nan 0.000 0.457 99 M N 4.424 124.040 119.600 0.027 0.000 2.319 99 M HA -0.019 4.461 4.480 -0.000 0.000 0.265 99 M C 1.312 177.688 176.300 0.126 0.000 1.068 99 M CA 1.510 56.848 55.300 0.063 0.000 1.118 99 M CB -0.094 32.488 32.600 -0.029 0.000 1.395 99 M HN 0.265 nan 8.290 nan 0.000 0.435 100 K N -0.359 120.092 120.400 0.085 0.000 1.991 100 K HA 0.105 4.425 4.320 -0.000 0.000 0.207 100 K C 2.041 178.678 176.600 0.062 0.000 1.045 100 K CA 1.357 57.687 56.287 0.071 0.000 0.937 100 K CB -0.690 31.845 32.500 0.058 0.000 0.720 100 K HN 0.324 nan 8.250 nan 0.000 0.438 101 A N 1.356 124.214 122.820 0.064 0.000 1.940 101 A HA -0.257 4.063 4.320 -0.000 0.000 0.221 101 A C 2.087 179.721 177.584 0.084 0.000 1.190 101 A CA 1.863 53.933 52.037 0.055 0.000 0.647 101 A CB -0.881 18.146 19.000 0.045 0.000 0.821 101 A HN 0.413 nan 8.150 nan 0.000 0.457 102 F N 0.717 120.637 119.950 -0.050 0.000 2.084 102 F HA -0.109 4.418 4.527 -0.000 0.000 0.296 102 F C 2.211 177.998 175.800 -0.022 0.000 1.111 102 F CA 2.057 60.023 58.000 -0.057 0.000 1.224 102 F CB -0.562 38.378 39.000 -0.100 0.000 0.991 102 F HN 0.362 nan 8.300 nan 0.000 0.471 103 E N 0.263 120.343 120.200 -0.201 0.000 2.058 103 E HA -0.267 4.083 4.350 -0.000 0.000 0.194 103 E C 1.894 178.395 176.600 -0.166 0.000 0.997 103 E CA 1.772 58.030 56.400 -0.237 0.000 0.801 103 E CB -0.493 29.178 29.700 -0.048 0.000 0.746 103 E HN 0.582 nan 8.360 nan 0.000 0.450 104 N N 0.566 119.214 118.700 -0.086 0.000 2.223 104 N HA -0.195 4.545 4.740 -0.000 0.000 0.185 104 N C 1.792 177.253 175.510 -0.082 0.000 1.016 104 N CA 1.051 54.060 53.050 -0.070 0.000 0.863 104 N CB -0.037 38.429 38.487 -0.036 0.000 0.983 104 N HN 0.072 nan 8.380 nan 0.000 0.429 105 E N 1.188 121.337 120.200 -0.086 0.000 2.072 105 E HA -0.080 4.269 4.350 -0.000 0.000 0.191 105 E C 1.643 178.175 176.600 -0.113 0.000 0.985 105 E CA 0.956 57.313 56.400 -0.072 0.000 0.801 105 E CB -0.145 29.542 29.700 -0.021 0.000 0.750 105 E HN 0.351 nan 8.360 nan 0.000 0.452 106 I N 0.142 120.586 120.570 -0.211 0.000 2.127 106 I HA -0.214 3.956 4.170 -0.000 0.000 0.241 106 I C 2.415 178.455 176.117 -0.129 0.000 1.075 106 I CA 1.292 62.476 61.300 -0.194 0.000 1.334 106 I CB -0.846 36.981 38.000 -0.287 0.000 1.040 106 I HN 0.282 nan 8.210 nan 0.000 0.405 107 G N 0.715 109.439 108.800 -0.128 0.000 2.553 107 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.218 107 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.218 107 G C 1.743 176.588 174.900 -0.092 0.000 1.195 107 G CA 1.032 46.068 45.100 -0.107 0.000 0.779 107 G HN 0.264 nan 8.290 nan 0.000 0.577 108 R N -0.274 120.180 120.500 -0.077 0.000 2.136 108 R HA -0.170 4.170 4.340 -0.000 0.000 0.242 108 R C 2.682 178.950 176.300 -0.054 0.000 1.131 108 R CA 1.954 58.019 56.100 -0.059 0.000 0.937 108 R CB -0.320 29.955 30.300 -0.042 0.000 0.863 108 R HN 0.289 nan 8.270 nan 0.000 0.435 109 R N 0.957 121.430 120.500 -0.045 0.000 2.073 109 R HA -0.104 4.236 4.340 -0.000 0.000 0.234 109 R C 2.053 178.332 176.300 -0.036 0.000 1.134 109 R CA 1.852 57.937 56.100 -0.025 0.000 0.952 109 R CB -0.471 29.823 30.300 -0.010 0.000 0.850 109 R HN 0.083 nan 8.270 nan 0.000 0.433 110 R N 0.019 120.484 120.500 -0.059 0.000 2.103 110 R HA -0.072 4.268 4.340 -0.000 0.000 0.242 110 R C 2.207 178.427 176.300 -0.134 0.000 1.142 110 R CA 2.190 58.242 56.100 -0.081 0.000 0.960 110 R CB -0.420 29.825 30.300 -0.091 0.000 0.858 110 R HN 0.339 nan 8.270 nan 0.000 0.439 111 I N 0.260 120.746 120.570 -0.140 0.000 2.454 111 I HA -0.250 3.920 4.170 -0.000 0.000 0.254 111 I C 1.977 178.016 176.117 -0.130 0.000 1.156 111 I CA 0.973 62.166 61.300 -0.179 0.000 1.433 111 I CB -0.352 37.568 38.000 -0.133 0.000 1.082 111 I HN 0.153 nan 8.210 nan 0.000 0.432 112 R N 0.561 121.020 120.500 -0.069 0.000 2.153 112 R HA 0.045 4.385 4.340 -0.000 0.000 0.218 112 R C 2.077 178.376 176.300 -0.002 0.000 1.072 112 R CA 0.878 56.963 56.100 -0.025 0.000 0.990 112 R CB -0.281 30.019 30.300 -0.001 0.000 0.889 112 R HN 0.429 nan 8.270 nan 0.000 0.452 113 M N -0.015 119.580 119.600 -0.008 0.000 2.394 113 M HA -0.054 4.426 4.480 -0.000 0.000 0.264 113 M C 1.956 178.314 176.300 0.096 0.000 1.073 113 M CA 1.130 56.468 55.300 0.063 0.000 1.111 113 M CB -0.194 32.448 32.600 0.070 0.000 1.401 113 M HN 0.027 nan 8.290 nan 0.000 0.448 114 R N 0.649 121.118 120.500 -0.051 0.000 2.134 114 R HA -0.229 4.111 4.340 -0.000 0.000 0.248 114 R C 2.192 178.610 176.300 0.196 0.000 1.143 114 R CA 1.640 57.733 56.100 -0.013 0.000 0.957 114 R CB -0.709 29.434 30.300 -0.262 0.000 0.867 114 R HN 0.389 nan 8.270 nan 0.000 0.441 115 K N 0.182 120.649 120.400 0.113 0.000 2.103 115 K HA -0.141 4.179 4.320 -0.000 0.000 0.207 115 K C 2.201 178.901 176.600 0.165 0.000 1.048 115 K CA 1.566 57.925 56.287 0.120 0.000 0.930 115 K CB -0.308 32.241 32.500 0.082 0.000 0.716 115 K HN 0.345 nan 8.250 nan 0.000 0.444 116 G N 0.652 109.571 108.800 0.198 0.000 2.418 116 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.217 116 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.217 116 G C 1.309 176.357 174.900 0.246 0.000 1.158 116 G CA 0.717 45.945 45.100 0.214 0.000 0.771 116 G HN 0.406 nan 8.290 nan 0.000 0.545 117 F N 2.262 122.340 119.950 0.213 0.000 2.102 117 F HA 0.069 4.596 4.527 -0.000 0.000 0.298 117 F C 2.506 178.427 175.800 0.202 0.000 1.105 117 F CA 1.789 59.916 58.000 0.212 0.000 1.239 117 F CB -0.435 38.779 39.000 0.356 0.000 0.991 117 F HN 0.089 nan 8.300 nan 0.000 0.474 118 G N -0.601 108.269 108.800 0.116 0.000 2.448 118 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.218 118 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.218 118 G C 1.241 176.225 174.900 0.140 0.000 1.135 118 G CA 0.860 46.013 45.100 0.089 0.000 0.784 118 G HN 0.326 nan 8.290 nan 0.000 0.543 119 D N 0.976 121.443 120.400 0.112 0.000 2.123 119 D HA 0.031 4.671 4.640 -0.000 0.000 0.200 119 D C 2.830 179.195 176.300 0.110 0.000 0.976 119 D CA 1.082 55.161 54.000 0.131 0.000 0.831 119 D CB -0.346 40.521 40.800 0.111 0.000 0.974 119 D HN 0.249 nan 8.370 nan 0.000 0.469 120 A N 0.741 123.580 122.820 0.033 0.000 1.908 120 A HA -0.146 4.174 4.320 -0.000 0.000 0.218 120 A C 2.371 179.964 177.584 0.014 0.000 1.181 120 A CA 1.033 53.073 52.037 0.005 0.000 0.627 120 A CB -0.764 18.190 19.000 -0.077 0.000 0.818 120 A HN 0.205 nan 8.150 nan 0.000 0.445 121 L N -1.517 119.661 121.223 -0.075 0.000 1.988 121 L HA -0.168 4.172 4.340 -0.000 0.000 0.207 121 L C 2.813 179.764 176.870 0.134 0.000 1.071 121 L CA 1.817 56.622 54.840 -0.058 0.000 0.744 121 L CB -0.641 41.279 42.059 -0.231 0.000 0.893 121 L HN 0.408 nan 8.230 nan 0.000 0.433 122 R N 0.456 121.073 120.500 0.195 0.000 2.096 122 R HA -0.217 4.123 4.340 -0.000 0.000 0.240 122 R C 2.072 178.626 176.300 0.423 0.000 1.139 122 R CA 2.204 58.481 56.100 0.297 0.000 0.952 122 R CB -0.173 30.360 30.300 0.387 0.000 0.854 122 R HN 0.346 nan 8.270 nan 0.000 0.436 123 N N -0.727 118.198 118.700 0.374 0.000 2.289 123 N HA -0.184 4.556 4.740 -0.000 0.000 0.184 123 N C 1.240 176.931 175.510 0.302 0.000 1.016 123 N CA 1.155 54.421 53.050 0.360 0.000 0.872 123 N CB -0.266 38.339 38.487 0.196 0.000 0.973 123 N HN 0.367 nan 8.380 nan 0.000 0.433 124 Y N 0.842 121.201 120.300 0.097 0.000 2.153 124 Y HA 0.002 4.552 4.550 -0.000 0.000 0.289 124 Y C 2.187 178.107 175.900 0.034 0.000 1.127 124 Y CA 1.578 59.674 58.100 -0.006 0.000 1.131 124 Y CB -0.615 37.801 38.460 -0.073 0.000 0.995 124 Y HN 0.030 nan 8.280 nan 0.000 0.505 125 A N 0.192 123.069 122.820 0.095 0.000 1.986 125 A HA -0.205 4.114 4.320 -0.000 0.000 0.220 125 A C 2.051 179.658 177.584 0.038 0.000 1.171 125 A CA 1.888 53.883 52.037 -0.070 0.000 0.640 125 A CB -1.571 17.432 19.000 0.004 0.000 0.811 125 A HN 0.619 nan 8.150 nan 0.000 0.451 126 F N 0.119 120.254 119.950 0.309 0.000 2.186 126 F HA -0.115 4.412 4.527 -0.000 0.000 0.299 126 F C 2.308 178.262 175.800 0.256 0.000 1.090 126 F CA 1.437 59.685 58.000 0.414 0.000 1.307 126 F CB 0.020 39.122 39.000 0.170 0.000 1.019 126 F HN 0.026 nan 8.300 nan 0.000 0.489 127 K N -0.332 120.191 120.400 0.205 0.000 2.147 127 K HA -0.040 4.280 4.320 -0.000 0.000 0.205 127 K C 1.457 177.991 176.600 -0.111 0.000 1.049 127 K CA 1.124 57.420 56.287 0.016 0.000 0.936 127 K CB -0.282 32.160 32.500 -0.097 0.000 0.722 127 K HN 0.302 nan 8.250 nan 0.000 0.446 128 M N -0.807 118.644 119.600 -0.248 0.000 2.412 128 M HA 0.302 4.782 4.480 -0.000 0.000 0.315 128 M C -0.046 176.130 176.300 -0.208 0.000 1.092 128 M CA -0.154 54.960 55.300 -0.311 0.000 0.974 128 M CB 0.769 32.991 32.600 -0.630 0.000 1.437 128 M HN -0.132 nan 8.290 nan 0.000 0.524 129 A N -0.034 122.712 122.820 -0.124 0.000 2.606 129 A HA 0.719 5.039 4.320 -0.000 0.000 0.293 129 A C -0.093 177.482 177.584 -0.015 0.000 1.082 129 A CA -0.469 51.483 52.037 -0.141 0.000 0.685 129 A CB 1.269 20.058 19.000 -0.351 0.000 1.284 129 A HN 0.046 nan 8.150 nan 0.000 0.408 130 I N 0.222 120.783 120.570 -0.015 0.000 3.132 130 I HA 0.169 4.339 4.170 -0.000 0.000 0.255 130 I C 0.921 177.176 176.117 0.230 0.000 1.118 130 I CA 0.862 62.221 61.300 0.099 0.000 1.463 130 I CB -0.291 37.747 38.000 0.062 0.000 1.356 130 I HN 0.732 nan 8.210 nan 0.000 0.463 131 E N 0.250 120.527 120.200 0.129 0.000 2.343 131 E HA 0.360 4.710 4.350 -0.000 0.000 0.269 131 E C -1.329 175.306 176.600 0.059 0.000 1.047 131 E CA -0.153 56.376 56.400 0.216 0.000 0.874 131 E CB 1.003 30.821 29.700 0.196 0.000 1.033 131 E HN -0.043 nan 8.360 nan 0.000 0.409 132 F N 0.933 120.957 119.950 0.124 0.000 2.569 132 F HA 0.326 4.853 4.527 -0.000 0.000 0.312 132 F C 0.231 175.990 175.800 -0.068 0.000 1.109 132 F CA -0.559 57.481 58.000 0.067 0.000 0.919 132 F CB 1.575 40.564 39.000 -0.017 0.000 1.211 132 F HN 0.398 nan 8.300 nan 0.000 0.446 133 H N 0.374 119.471 119.070 0.045 0.000 2.864 133 H HA 0.416 4.972 4.556 -0.000 0.000 0.354 133 H C 0.535 175.541 175.328 -0.536 0.000 1.208 133 H CA -0.614 55.300 56.048 -0.224 0.000 1.191 133 H CB 1.977 31.559 29.762 -0.300 0.000 1.889 133 H HN 0.768 nan 8.280 nan 0.000 0.574 134 G N 1.528 109.836 108.800 -0.819 0.000 2.416 134 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.301 134 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.301 134 G C -0.032 174.797 174.900 -0.117 0.000 0.985 134 G CA 0.857 45.573 45.100 -0.640 0.000 0.934 134 G HN 0.426 nan 8.290 nan 0.000 0.513 135 S N -0.679 114.981 115.700 -0.066 0.000 2.645 135 S HA 0.692 5.162 4.470 -0.000 0.000 0.266 135 S C 0.395 175.003 174.600 0.014 0.000 1.258 135 S CA -0.306 57.907 58.200 0.021 0.000 0.990 135 S CB 1.831 65.032 63.200 0.001 0.000 0.967 135 S HN 0.568 nan 8.310 nan 0.000 0.556 136 E N -1.283 118.937 120.200 0.033 0.000 2.437 136 E HA 0.426 4.776 4.350 -0.000 0.000 0.280 136 E C 0.515 177.150 176.600 0.059 0.000 1.044 136 E CA -0.551 55.872 56.400 0.037 0.000 0.826 136 E CB 1.240 30.983 29.700 0.072 0.000 1.358 136 E HN 0.501 nan 8.360 nan 0.000 0.459 137 A N 1.311 124.196 122.820 0.108 0.000 1.969 137 A HA -0.336 3.983 4.320 -0.000 0.000 0.223 137 A C 1.824 179.535 177.584 0.211 0.000 1.218 137 A CA 2.656 54.840 52.037 0.245 0.000 0.667 137 A CB -0.850 18.342 19.000 0.320 0.000 0.826 137 A HN 0.730 nan 8.150 nan 0.000 0.472 138 E N -0.304 119.986 120.200 0.150 0.000 2.051 138 E HA -0.195 4.155 4.350 -0.000 0.000 0.192 138 E C 1.807 178.488 176.600 0.134 0.000 0.991 138 E CA 2.023 58.503 56.400 0.134 0.000 0.799 138 E CB -1.490 28.285 29.700 0.125 0.000 0.748 138 E HN 0.504 nan 8.360 nan 0.000 0.449 139 T N 2.370 117.000 114.554 0.126 0.000 2.720 139 T HA -0.066 4.284 4.350 -0.000 0.000 0.268 139 T C 2.182 176.924 174.700 0.069 0.000 1.037 139 T CA 1.521 63.684 62.100 0.105 0.000 1.144 139 T CB -0.307 68.564 68.868 0.006 0.000 0.864 139 T HN 0.102 nan 8.240 nan 0.000 0.444 140 L N 1.084 122.331 121.223 0.039 0.000 2.046 140 L HA -0.129 4.211 4.340 -0.000 0.000 0.208 140 L C 2.666 179.655 176.870 0.199 0.000 1.077 140 L CA 0.965 55.821 54.840 0.027 0.000 0.747 140 L CB -0.659 41.283 42.059 -0.195 0.000 0.896 140 L HN 0.222 nan 8.230 nan 0.000 0.432 141 N N 0.062 118.880 118.700 0.197 0.000 2.069 141 N HA -0.182 4.558 4.740 -0.000 0.000 0.191 141 N C 1.179 176.694 175.510 0.009 0.000 1.031 141 N CA 1.450 54.595 53.050 0.158 0.000 0.852 141 N CB -0.258 38.294 38.487 0.107 0.000 1.018 141 N HN 0.339 nan 8.380 nan 0.000 0.423 142 D N 0.287 120.616 120.400 -0.119 0.000 2.339 142 D HA 0.137 4.777 4.640 -0.000 0.000 0.217 142 D C 0.166 176.060 176.300 -0.677 0.000 1.050 142 D CA -0.011 53.747 54.000 -0.404 0.000 0.856 142 D CB 0.174 40.640 40.800 -0.557 0.000 0.922 142 D HN 0.138 nan 8.370 nan 0.000 0.518 143 A N 1.092 123.706 122.820 -0.343 0.000 2.340 143 A HA 0.211 4.531 4.320 -0.000 0.000 0.268 143 A C 0.404 177.880 177.584 -0.180 0.000 1.100 143 A CA -0.443 51.406 52.037 -0.314 0.000 0.803 143 A CB 0.428 19.425 19.000 -0.005 0.000 1.043 143 A HN -0.020 nan 8.150 nan 0.000 0.488 144 N N 2.502 121.183 118.700 -0.030 0.000 2.420 144 N HA 0.219 4.959 4.740 -0.000 0.000 0.262 144 N C -1.739 173.855 175.510 0.140 0.000 1.144 144 N CA -2.100 51.023 53.050 0.121 0.000 0.952 144 N CB 1.076 39.698 38.487 0.226 0.000 1.081 144 N HN 0.274 nan 8.380 nan 0.000 0.480 145 P HA 0.027 nan 4.420 nan 0.000 0.236 145 P C 0.390 177.614 177.300 -0.126 0.000 1.177 145 P CA 0.723 63.729 63.100 -0.157 0.000 0.773 145 P CB 0.419 31.713 31.700 -0.676 0.000 0.878 146 R N -1.226 119.149 120.500 -0.208 0.000 2.310 146 R HA 0.175 4.515 4.340 -0.000 0.000 0.202 146 R C 1.474 177.779 176.300 0.009 0.000 0.933 146 R CA 0.159 56.140 56.100 -0.199 0.000 1.054 146 R CB -0.070 30.044 30.300 -0.309 0.000 0.985 146 R HN 0.187 nan 8.270 nan 0.000 0.489 147 L N -1.451 119.798 121.223 0.043 0.000 2.691 147 L HA 0.216 4.556 4.340 -0.000 0.000 0.185 147 L C 0.402 177.281 176.870 0.014 0.000 1.081 147 L CA 0.518 55.357 54.840 -0.001 0.000 0.865 147 L CB 0.032 42.027 42.059 -0.107 0.000 1.370 147 L HN 0.003 nan 8.230 nan 0.000 0.488 148 H N 1.875 121.036 119.070 0.151 0.000 2.679 148 H HA 0.337 4.893 4.556 -0.000 0.000 0.369 148 H C -0.499 174.943 175.328 0.190 0.000 1.178 148 H CA -0.041 56.143 56.048 0.227 0.000 1.419 148 H CB 0.561 30.493 29.762 0.282 0.000 1.458 148 H HN 0.003 nan 8.280 nan 0.000 0.605 149 K N 2.457 123.072 120.400 0.360 0.000 2.545 149 K HA 0.333 4.653 4.320 -0.000 0.000 0.252 149 K C -0.650 176.087 176.600 0.227 0.000 0.948 149 K CA -0.624 55.793 56.287 0.217 0.000 0.827 149 K CB 1.957 34.624 32.500 0.279 0.000 1.128 149 K HN 0.384 nan 8.250 nan 0.000 0.429 150 I N 4.582 125.126 120.570 -0.044 0.000 2.355 150 I HA 0.336 4.506 4.170 -0.000 0.000 0.288 150 I C -0.420 175.530 176.117 -0.279 0.000 0.999 150 I CA -0.731 60.553 61.300 -0.027 0.000 1.163 150 I CB 0.225 38.186 38.000 -0.064 0.000 1.316 150 I HN 0.435 nan 8.210 nan 0.000 0.454 151 Y N 3.746 123.895 120.300 -0.253 0.000 2.753 151 Y HA 0.917 5.467 4.550 -0.000 0.000 0.324 151 Y C 0.937 176.671 175.900 -0.277 0.000 1.147 151 Y CA -1.084 56.818 58.100 -0.330 0.000 1.173 151 Y CB 1.375 39.495 38.460 -0.567 0.000 1.361 151 Y HN 0.719 nan 8.280 nan 0.000 0.545 152 G N -0.251 108.533 108.800 -0.026 0.000 2.362 152 G HA2 0.287 4.247 3.960 -0.000 0.000 0.288 152 G HA3 0.287 4.247 3.960 -0.000 0.000 0.288 152 G C -1.807 173.079 174.900 -0.025 0.000 1.305 152 G CA -1.095 43.961 45.100 -0.072 0.000 0.910 152 G HN 0.373 nan 8.290 nan 0.000 0.518 153 M N 2.366 121.956 119.600 -0.016 0.000 2.067 153 M HA 0.268 4.748 4.480 -0.000 0.000 0.214 153 M C -2.502 173.804 176.300 0.009 0.000 0.891 153 M CA -1.116 54.191 55.300 0.011 0.000 0.697 153 M CB 1.630 34.248 32.600 0.029 0.000 1.616 153 M HN 0.462 nan 8.290 nan 0.000 0.354 154 P HA 0.178 nan 4.420 nan 0.000 0.276 154 P C -0.739 176.555 177.300 -0.010 0.000 1.252 154 P CA -0.245 62.853 63.100 -0.004 0.000 0.802 154 P CB 0.924 32.620 31.700 -0.006 0.000 1.035 155 E N 1.192 121.359 120.200 -0.054 0.000 2.104 155 E HA 0.147 4.497 4.350 -0.000 0.000 0.278 155 E C -0.055 176.459 176.600 -0.143 0.000 1.127 155 E CA -0.384 55.959 56.400 -0.094 0.000 0.897 155 E CB -0.031 29.591 29.700 -0.130 0.000 1.043 155 E HN 0.333 nan 8.360 nan 0.000 0.410 156 I N 7.730 128.208 120.570 -0.153 0.000 2.668 156 I HA -0.012 4.158 4.170 -0.000 0.000 0.285 156 I C -1.492 174.424 176.117 -0.334 0.000 1.168 156 I CA -1.299 59.812 61.300 -0.315 0.000 1.424 156 I CB 0.098 37.893 38.000 -0.340 0.000 1.377 156 I HN 0.389 nan 8.210 nan 0.000 0.560 157 P HA 0.130 nan 4.420 nan 0.000 0.272 157 P C -2.560 174.571 177.300 -0.281 0.000 1.254 157 P CA -1.175 61.729 63.100 -0.327 0.000 0.795 157 P CB -0.643 30.853 31.700 -0.340 0.000 1.022 158 P HA 0.229 nan 4.420 nan 0.000 0.267 158 P C -0.545 176.685 177.300 -0.117 0.000 1.209 158 P CA 0.747 63.699 63.100 -0.247 0.000 0.763 158 P CB 0.241 31.535 31.700 -0.677 0.000 0.816 159 L N 3.112 124.292 121.223 -0.071 0.000 2.393 159 L HA 0.491 4.830 4.340 -0.000 0.000 0.260 159 L C -1.018 175.867 176.870 0.025 0.000 1.002 159 L CA -1.039 53.767 54.840 -0.057 0.000 0.818 159 L CB 2.231 44.139 42.059 -0.251 0.000 1.369 159 L HN 0.293 nan 8.230 nan 0.000 0.412 160 Y N 3.180 123.443 120.300 -0.061 0.000 2.341 160 Y HA 0.705 5.255 4.550 -0.000 0.000 0.338 160 Y C -0.182 175.711 175.900 -0.012 0.000 0.965 160 Y CA -0.501 57.579 58.100 -0.033 0.000 1.108 160 Y CB 1.444 39.884 38.460 -0.034 0.000 1.180 160 Y HN 0.626 nan 8.280 nan 0.000 0.458 161 M N 1.147 120.428 119.600 -0.532 0.000 3.788 161 M HA 0.415 4.895 4.480 -0.000 0.000 0.419 161 M C 0.513 176.537 176.300 -0.459 0.000 1.850 161 M CA -0.765 54.340 55.300 -0.326 0.000 0.841 161 M CB 0.538 33.126 32.600 -0.020 0.000 2.815 161 M HN 0.306 nan 8.290 nan 0.000 0.476 162 E N 0.120 120.211 120.200 -0.181 0.000 3.019 162 E HA -0.342 4.008 4.350 -0.000 0.000 0.199 162 E C 0.492 177.005 176.600 -0.146 0.000 0.940 162 E CA 4.577 60.903 56.400 -0.123 0.000 1.749 162 E CB -1.155 28.510 29.700 -0.058 0.000 1.685 162 E HN 1.590 nan 8.360 nan 0.000 0.404 163 Y N -4.816 115.381 120.300 -0.170 0.000 1.565 163 Y HA 0.244 4.794 4.550 -0.000 0.000 0.449 163 Y C 1.571 177.321 175.900 -0.250 0.000 1.564 163 Y CA 0.889 58.874 58.100 -0.190 0.000 1.127 163 Y CB -1.684 36.663 38.460 -0.189 0.000 5.042 163 Y HN 1.510 nan 8.280 nan 0.000 0.120 164 A N -0.317 122.284 122.820 -0.365 0.000 1.525 164 A HA -0.078 4.242 4.320 -0.000 0.000 0.318 164 A C 1.713 179.253 177.584 -0.074 0.000 1.958 164 A CA 4.274 56.154 52.037 -0.262 0.000 1.081 164 A CB -2.438 16.456 19.000 -0.177 0.000 1.466 164 A HN 3.210 nan 8.150 nan 0.000 0.716 165 E N -0.824 119.356 120.200 -0.034 0.000 4.562 165 E HA -0.272 4.078 4.350 -0.000 0.000 0.293 165 E C 0.476 177.098 176.600 0.036 0.000 0.724 165 E CA 1.354 57.753 56.400 -0.002 0.000 1.636 165 E CB -2.620 27.070 29.700 -0.016 0.000 1.797 165 E HN 1.933 nan 8.360 nan 0.000 0.420 166 I N -0.291 120.320 120.570 0.068 0.000 3.110 166 I HA 0.087 4.257 4.170 -0.000 0.000 0.305 166 I C 1.686 177.858 176.117 0.091 0.000 1.232 166 I CA 0.993 62.363 61.300 0.117 0.000 1.431 166 I CB 0.126 38.241 38.000 0.192 0.000 1.320 166 I HN 0.206 nan 8.210 nan 0.000 0.583 167 G N 3.789 112.645 108.800 0.093 0.000 2.583 167 G HA2 0.040 4.000 3.960 -0.000 0.000 0.215 167 G HA3 0.040 4.000 3.960 -0.000 0.000 0.215 167 G C 0.551 175.574 174.900 0.205 0.000 1.481 167 G CA 0.732 45.938 45.100 0.176 0.000 0.948 167 G HN 0.819 nan 8.290 nan 0.000 0.511 168 T N -0.565 114.095 114.554 0.177 0.000 2.824 168 T HA 0.494 4.844 4.350 -0.000 0.000 0.277 168 T C 0.279 175.090 174.700 0.184 0.000 0.975 168 T CA -0.583 61.595 62.100 0.130 0.000 0.966 168 T CB 1.091 70.008 68.868 0.082 0.000 1.054 168 T HN 0.362 nan 8.240 nan 0.000 0.533 169 R N 0.930 121.448 120.500 0.030 0.000 2.490 169 R HA 0.521 4.861 4.340 -0.000 0.000 0.278 169 R C -0.910 175.417 176.300 0.045 0.000 1.069 169 R CA -0.367 55.670 56.100 -0.105 0.000 1.080 169 R CB -0.021 30.138 30.300 -0.235 0.000 1.030 169 R HN 0.538 nan 8.270 nan 0.000 0.491 170 F N -0.161 119.877 119.950 0.146 0.000 2.588 170 F HA 0.503 5.030 4.527 -0.000 0.000 0.314 170 F C -0.679 175.195 175.800 0.124 0.000 1.069 170 F CA -1.625 56.443 58.000 0.114 0.000 0.931 170 F CB 0.858 39.926 39.000 0.113 0.000 1.260 170 F HN 0.324 nan 8.300 nan 0.000 0.465 171 D N 1.900 122.499 120.400 0.332 0.000 2.449 171 D HA 0.208 4.848 4.640 -0.000 0.000 0.236 171 D C -0.621 175.972 176.300 0.487 0.000 1.149 171 D CA 1.104 55.275 54.000 0.285 0.000 0.878 171 D CB 0.691 41.625 40.800 0.223 0.000 1.198 171 D HN 0.632 nan 8.370 nan 0.000 0.446 172 D N 0.216 120.817 120.400 0.334 0.000 2.639 172 D HA 0.323 4.963 4.640 -0.000 0.000 0.271 172 D C -1.140 175.216 176.300 0.093 0.000 1.254 172 D CA -0.423 53.771 54.000 0.325 0.000 0.810 172 D CB 1.371 42.388 40.800 0.361 0.000 1.351 172 D HN 0.311 nan 8.370 nan 0.000 0.427 173 E N 0.312 120.476 120.200 -0.060 0.000 2.416 173 E HA 0.467 4.817 4.350 -0.000 0.000 0.273 173 E C -2.392 174.143 176.600 -0.109 0.000 0.935 173 E CA -1.849 54.486 56.400 -0.108 0.000 0.784 173 E CB 2.612 32.196 29.700 -0.193 0.000 1.301 173 E HN 0.131 nan 8.360 nan 0.000 0.454 174 P HA -0.006 nan 4.420 nan 0.000 0.269 174 P C -0.613 176.641 177.300 -0.078 0.000 1.215 174 P CA 0.119 63.183 63.100 -0.059 0.000 0.780 174 P CB 0.718 32.392 31.700 -0.044 0.000 0.898 175 T N -1.502 113.019 114.554 -0.056 0.000 2.654 175 T HA 0.279 4.628 4.350 -0.000 0.000 0.289 175 T C -0.652 174.030 174.700 -0.029 0.000 1.062 175 T CA -0.890 61.179 62.100 -0.051 0.000 1.041 175 T CB 0.031 68.868 68.868 -0.051 0.000 1.417 175 T HN 0.194 nan 8.240 nan 0.000 0.510 176 D N 2.249 122.637 120.400 -0.020 0.000 2.515 176 D HA 0.063 4.703 4.640 -0.000 0.000 0.232 176 D C 0.805 177.104 176.300 -0.001 0.000 1.157 176 D CA 0.330 54.326 54.000 -0.006 0.000 0.871 176 D CB 0.349 41.156 40.800 0.011 0.000 1.200 176 D HN 0.722 nan 8.370 nan 0.000 0.466 177 E N 1.018 121.218 120.200 -0.001 0.000 2.437 177 E HA -0.103 4.247 4.350 -0.000 0.000 0.263 177 E C 0.904 177.507 176.600 0.006 0.000 1.030 177 E CA -0.400 55.999 56.400 -0.002 0.000 0.934 177 E CB 0.891 30.589 29.700 -0.002 0.000 0.943 177 E HN 0.391 nan 8.360 nan 0.000 0.444 178 K N 2.245 122.645 120.400 0.000 0.000 2.066 178 K HA -0.264 4.056 4.320 -0.000 0.000 0.221 178 K C 1.796 178.411 176.600 0.026 0.000 1.056 178 K CA 2.324 58.616 56.287 0.008 0.000 0.950 178 K CB -0.275 32.227 32.500 0.003 0.000 0.726 178 K HN 0.729 nan 8.250 nan 0.000 0.456 179 L N 0.708 121.945 121.223 0.023 0.000 2.395 179 L HA -0.068 4.272 4.340 -0.000 0.000 0.218 179 L C 2.279 179.145 176.870 -0.008 0.000 1.130 179 L CA 0.435 55.287 54.840 0.020 0.000 0.826 179 L CB -0.063 42.023 42.059 0.045 0.000 0.941 179 L HN 0.261 nan 8.230 nan 0.000 0.451 180 V N -5.320 114.599 119.914 0.008 0.000 2.649 180 V HA -0.029 4.091 4.120 -0.000 0.000 0.248 180 V C 2.205 178.313 176.094 0.024 0.000 1.054 180 V CA 1.311 63.625 62.300 0.024 0.000 1.073 180 V CB 0.094 31.961 31.823 0.072 0.000 0.699 180 V HN 0.230 nan 8.190 nan 0.000 0.463 181 S N 0.039 115.757 115.700 0.030 0.000 2.469 181 S HA -0.041 4.429 4.470 -0.000 0.000 0.238 181 S C 1.634 176.268 174.600 0.055 0.000 0.998 181 S CA 2.077 60.315 58.200 0.063 0.000 0.957 181 S CB -0.381 62.863 63.200 0.074 0.000 0.764 181 S HN 0.706 nan 8.310 nan 0.000 0.514 182 M N 1.029 120.595 119.600 -0.058 0.000 2.074 182 M HA -0.036 4.444 4.480 -0.000 0.000 0.258 182 M C 1.764 177.775 176.300 -0.482 0.000 1.083 182 M CA 1.479 56.623 55.300 -0.260 0.000 1.128 182 M CB -0.414 32.091 32.600 -0.159 0.000 1.301 182 M HN 0.243 nan 8.290 nan 0.000 0.417 183 L N 0.605 121.594 121.223 -0.390 0.000 1.991 183 L HA -0.351 3.989 4.340 -0.000 0.000 0.221 183 L C 2.059 178.726 176.870 -0.337 0.000 1.079 183 L CA 1.900 56.423 54.840 -0.527 0.000 0.778 183 L CB -1.413 40.044 42.059 -1.004 0.000 0.893 183 L HN 0.361 nan 8.230 nan 0.000 0.437 184 D N -0.857 119.478 120.400 -0.108 0.000 2.191 184 D HA -0.273 4.367 4.640 -0.000 0.000 0.190 184 D C 1.885 178.208 176.300 0.038 0.000 1.007 184 D CA 2.271 56.327 54.000 0.094 0.000 0.865 184 D CB -0.304 40.551 40.800 0.092 0.000 0.929 184 D HN 0.673 nan 8.370 nan 0.000 0.447 185 Y N -1.218 119.111 120.300 0.048 0.000 2.490 185 Y HA 0.240 4.790 4.550 -0.000 0.000 0.285 185 Y C 1.833 177.989 175.900 0.425 0.000 1.117 185 Y CA -0.012 58.211 58.100 0.204 0.000 1.262 185 Y CB -0.307 38.209 38.460 0.095 0.000 1.043 185 Y HN -0.073 nan 8.280 nan 0.000 0.553 186 I N 0.282 120.813 120.570 -0.064 0.000 3.427 186 I HA 0.153 4.323 4.170 -0.000 0.000 0.288 186 I C -0.044 176.243 176.117 0.282 0.000 1.249 186 I CA -0.035 61.345 61.300 0.133 0.000 1.421 186 I CB 0.316 38.231 38.000 -0.142 0.000 1.086 186 I HN -0.026 nan 8.210 nan 0.000 0.448 187 V N 2.344 122.375 119.914 0.194 0.000 2.353 187 V HA 0.104 4.224 4.120 -0.000 0.000 0.264 187 V C 0.188 176.441 176.094 0.266 0.000 1.049 187 V CA 0.031 62.451 62.300 0.200 0.000 0.896 187 V CB 0.145 32.106 31.823 0.231 0.000 1.025 187 V HN 0.413 nan 8.190 nan 0.000 0.475 188 Y N 4.205 124.462 120.300 -0.071 0.000 3.087 188 Y HA 0.089 4.639 4.550 -0.000 0.000 0.227 188 Y C 2.052 177.878 175.900 -0.123 0.000 1.015 188 Y CA 0.929 58.911 58.100 -0.196 0.000 1.399 188 Y CB 0.585 38.523 38.460 -0.871 0.000 1.483 188 Y HN 0.510 nan 8.280 nan 0.000 0.420 189 S N 0.976 116.506 115.700 -0.284 0.000 2.559 189 S HA 0.579 5.049 4.470 -0.000 0.000 0.226 189 S C 0.757 175.351 174.600 -0.010 0.000 1.000 189 S CA 0.043 58.074 58.200 -0.281 0.000 0.948 189 S CB -0.175 62.977 63.200 -0.080 0.000 0.870 189 S HN 0.518 nan 8.310 nan 0.000 0.497 190 A N 1.624 124.462 122.820 0.030 0.000 2.483 190 A HA 0.395 4.715 4.320 -0.000 0.000 0.238 190 A C 0.816 178.385 177.584 -0.025 0.000 1.070 190 A CA -0.067 51.997 52.037 0.045 0.000 0.770 190 A CB 0.167 19.184 19.000 0.029 0.000 1.008 190 A HN 0.551 nan 8.150 nan 0.000 0.497 191 E N -0.240 119.965 120.200 0.008 0.000 2.434 191 E HA 0.091 4.441 4.350 -0.000 0.000 0.207 191 E C 0.042 176.578 176.600 -0.106 0.000 0.929 191 E CA 0.237 56.613 56.400 -0.039 0.000 1.001 191 E CB 0.588 30.319 29.700 0.052 0.000 1.016 191 E HN 0.797 nan 8.360 nan 0.000 0.502 192 E N 1.035 121.194 120.200 -0.068 0.000 2.274 192 E HA 0.317 4.667 4.350 -0.000 0.000 0.269 192 E C -1.673 174.926 176.600 -0.002 0.000 0.891 192 E CA -0.464 55.902 56.400 -0.057 0.000 0.784 192 E CB 2.020 31.770 29.700 0.082 0.000 1.225 192 E HN -0.183 nan 8.360 nan 0.000 0.412 193 V N 4.958 124.757 119.914 -0.191 0.000 2.417 193 V HA 0.288 4.408 4.120 -0.000 0.000 0.291 193 V C -0.539 175.644 176.094 0.149 0.000 1.024 193 V CA -0.645 61.621 62.300 -0.058 0.000 0.861 193 V CB 1.590 33.136 31.823 -0.461 0.000 0.985 193 V HN 0.713 nan 8.190 nan 0.000 0.436 194 H N 5.084 124.385 119.070 0.384 0.000 2.724 194 H HA 0.250 4.806 4.556 -0.000 0.000 0.278 194 H C -1.327 174.202 175.328 0.334 0.000 1.159 194 H CA -0.322 56.045 56.048 0.531 0.000 1.254 194 H CB 1.008 31.171 29.762 0.668 0.000 1.412 194 H HN 0.568 nan 8.280 nan 0.000 0.488 195 Y N 5.232 125.738 120.300 0.344 0.000 2.353 195 Y HA 0.210 4.760 4.550 -0.000 0.000 0.340 195 Y C -0.639 175.383 175.900 0.202 0.000 0.972 195 Y CA -1.607 56.600 58.100 0.179 0.000 1.157 195 Y CB 0.385 38.985 38.460 0.234 0.000 1.157 195 Y HN 0.427 nan 8.280 nan 0.000 0.495 196 I N 4.815 125.572 120.570 0.312 0.000 2.362 196 I HA 0.420 4.590 4.170 -0.000 0.000 0.289 196 I C 0.772 176.789 176.117 -0.167 0.000 0.994 196 I CA -0.614 60.691 61.300 0.009 0.000 1.158 196 I CB 0.917 38.755 38.000 -0.269 0.000 1.315 196 I HN 0.850 nan 8.210 nan 0.000 0.451 197 G N 4.634 113.318 108.800 -0.194 0.000 2.546 197 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.285 197 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.285 197 G C 0.541 175.226 174.900 -0.359 0.000 1.105 197 G CA -0.023 44.926 45.100 -0.251 0.000 1.189 197 G HN 1.016 nan 8.290 nan 0.000 0.534 198 C N -0.336 118.665 119.300 -0.498 0.000 2.634 198 C HA 0.665 5.125 4.460 -0.000 0.000 0.268 198 C C 2.403 177.145 174.990 -0.413 0.000 1.322 198 C CA 0.910 59.429 59.018 -0.831 0.000 1.737 198 C CB -0.753 26.451 27.740 -0.893 0.000 1.976 198 C HN 2.579 nan 8.230 nan 0.000 0.547 199 G N 2.620 111.268 108.800 -0.254 0.000 2.588 199 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.273 199 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.273 199 G C 0.404 175.224 174.900 -0.133 0.000 1.211 199 G CA 0.898 45.902 45.100 -0.159 0.000 0.958 199 G HN 0.699 nan 8.290 nan 0.000 0.543 200 D N 1.320 121.650 120.400 -0.115 0.000 2.379 200 D HA 0.313 4.953 4.640 -0.000 0.000 0.208 200 D C 1.826 178.059 176.300 -0.111 0.000 1.065 200 D CA 0.799 54.741 54.000 -0.097 0.000 0.848 200 D CB 0.244 41.001 40.800 -0.073 0.000 0.949 200 D HN 1.308 nan 8.370 nan 0.000 0.509 201 L N -0.731 120.409 121.223 -0.138 0.000 4.950 201 L HA -0.280 4.060 4.340 -0.000 0.000 0.413 201 L C 1.863 178.658 176.870 -0.126 0.000 1.020 201 L CA 0.517 55.267 54.840 -0.149 0.000 1.239 201 L CB -1.345 40.623 42.059 -0.151 0.000 2.004 201 L HN 0.108 nan 8.230 nan 0.000 0.658 202 R N 0.462 120.902 120.500 -0.099 0.000 2.083 202 R HA -0.175 4.165 4.340 -0.000 0.000 0.237 202 R C 1.832 178.087 176.300 -0.076 0.000 1.137 202 R CA 2.356 58.405 56.100 -0.084 0.000 0.951 202 R CB -0.181 30.081 30.300 -0.063 0.000 0.851 202 R HN 0.451 nan 8.270 nan 0.000 0.434 203 T N 1.685 116.207 114.554 -0.053 0.000 2.624 203 T HA -0.222 4.128 4.350 -0.000 0.000 0.268 203 T C 1.656 176.337 174.700 -0.031 0.000 1.041 203 T CA 1.652 63.742 62.100 -0.018 0.000 1.159 203 T CB -0.298 68.589 68.868 0.033 0.000 0.863 203 T HN 0.137 nan 8.240 nan 0.000 0.434 204 L N 0.388 121.563 121.223 -0.079 0.000 2.093 204 L HA 0.052 4.392 4.340 -0.000 0.000 0.208 204 L C 2.217 178.942 176.870 -0.242 0.000 1.085 204 L CA 1.573 56.309 54.840 -0.173 0.000 0.755 204 L CB -0.562 41.345 42.059 -0.253 0.000 0.904 204 L HN 0.174 nan 8.230 nan 0.000 0.435 205 M N -1.401 118.061 119.600 -0.229 0.000 2.229 205 M HA -0.131 4.349 4.480 -0.000 0.000 0.264 205 M C 2.149 178.312 176.300 -0.228 0.000 1.063 205 M CA 1.239 56.373 55.300 -0.278 0.000 1.114 205 M CB -1.159 31.321 32.600 -0.200 0.000 1.387 205 M HN 0.284 nan 8.290 nan 0.000 0.420 206 Q N -0.676 119.048 119.800 -0.127 0.000 2.119 206 Q HA -0.065 4.275 4.340 -0.000 0.000 0.201 206 Q C 1.986 177.952 176.000 -0.057 0.000 0.972 206 Q CA 1.171 56.924 55.803 -0.083 0.000 0.847 206 Q CB -0.809 27.905 28.738 -0.039 0.000 0.903 206 Q HN 0.476 nan 8.270 nan 0.000 0.433 207 F N 1.962 121.796 119.950 -0.192 0.000 2.126 207 F HA -0.229 4.298 4.527 -0.000 0.000 0.299 207 F C 2.274 177.938 175.800 -0.227 0.000 1.096 207 F CA 1.775 59.675 58.000 -0.166 0.000 1.255 207 F CB -0.092 38.822 39.000 -0.143 0.000 0.997 207 F HN 0.022 nan 8.300 nan 0.000 0.479 208 K N 0.342 120.453 120.400 -0.482 0.000 2.057 208 K HA -0.231 4.089 4.320 -0.000 0.000 0.207 208 K C 2.324 178.670 176.600 -0.423 0.000 1.049 208 K CA 1.684 57.528 56.287 -0.738 0.000 0.931 208 K CB -0.265 31.549 32.500 -1.144 0.000 0.714 208 K HN 0.221 nan 8.250 nan 0.000 0.440 209 K N 0.009 120.225 120.400 -0.306 0.000 2.155 209 K HA -0.054 4.266 4.320 -0.000 0.000 0.203 209 K C 2.165 178.659 176.600 -0.176 0.000 1.052 209 K CA 0.971 57.135 56.287 -0.204 0.000 0.948 209 K CB 0.180 32.588 32.500 -0.154 0.000 0.728 209 K HN 0.118 nan 8.250 nan 0.000 0.448 210 R N -0.622 119.762 120.500 -0.194 0.000 2.090 210 R HA 0.069 4.409 4.340 -0.000 0.000 0.219 210 R C 0.289 176.459 176.300 -0.217 0.000 1.100 210 R CA 0.890 56.892 56.100 -0.163 0.000 0.991 210 R CB 0.417 30.653 30.300 -0.106 0.000 0.893 210 R HN -0.048 nan 8.270 nan 0.000 0.443 211 S N 1.277 116.746 115.700 -0.386 0.000 2.080 211 S HA 0.239 4.708 4.470 -0.000 0.000 0.162 211 S C -2.292 172.077 174.600 -0.386 0.000 1.618 211 S CA -1.102 56.835 58.200 -0.438 0.000 1.200 211 S CB 1.543 64.322 63.200 -0.701 0.000 1.135 211 S HN 0.053 nan 8.310 nan 0.000 0.455 212 P HA 0.052 nan 4.420 nan 0.000 0.222 212 P C 1.736 179.050 177.300 0.024 0.000 1.153 212 P CA 0.691 63.743 63.100 -0.080 0.000 0.798 212 P CB -0.035 31.625 31.700 -0.067 0.000 0.796 213 G N 2.023 110.810 108.800 -0.022 0.000 2.575 213 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.215 213 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.215 213 G C 1.581 176.501 174.900 0.033 0.000 1.262 213 G CA 1.128 46.228 45.100 -0.001 0.000 0.807 213 G HN 0.347 nan 8.290 nan 0.000 0.567 214 R N -0.408 120.113 120.500 0.035 0.000 2.237 214 R HA 0.126 4.466 4.340 -0.000 0.000 0.219 214 R C 2.211 178.654 176.300 0.239 0.000 1.080 214 R CA 1.172 57.330 56.100 0.096 0.000 0.995 214 R CB -0.631 29.745 30.300 0.128 0.000 0.875 214 R HN 0.382 nan 8.270 nan 0.000 0.462 215 F N 1.947 121.966 119.950 0.115 0.000 2.146 215 F HA -0.004 4.523 4.527 -0.000 0.000 0.298 215 F C 2.339 178.345 175.800 0.344 0.000 1.096 215 F CA 1.234 59.441 58.000 0.346 0.000 1.275 215 F CB -0.087 38.938 39.000 0.043 0.000 1.008 215 F HN -0.142 nan 8.300 nan 0.000 0.480 216 R N 0.177 120.679 120.500 0.002 0.000 2.115 216 R HA 0.005 4.345 4.340 -0.000 0.000 0.230 216 R C 1.732 177.956 176.300 -0.126 0.000 1.111 216 R CA 0.884 56.913 56.100 -0.117 0.000 0.976 216 R CB -0.119 30.204 30.300 0.038 0.000 0.870 216 R HN 0.250 nan 8.270 nan 0.000 0.445 217 R N 0.094 120.553 120.500 -0.068 0.000 2.423 217 R HA 0.143 4.483 4.340 -0.000 0.000 0.248 217 R C -0.651 175.573 176.300 -0.125 0.000 1.019 217 R CA 0.022 56.072 56.100 -0.083 0.000 1.119 217 R CB 0.667 30.927 30.300 -0.066 0.000 1.176 217 R HN -0.045 nan 8.270 nan 0.000 0.526 218 V N 1.089 120.894 119.914 -0.182 0.000 2.876 218 V HA 0.264 4.384 4.120 -0.000 0.000 0.312 218 V C -0.997 174.815 176.094 -0.471 0.000 1.085 218 V CA -1.102 60.978 62.300 -0.367 0.000 0.945 218 V CB 2.573 34.050 31.823 -0.578 0.000 1.017 218 V HN 0.002 nan 8.190 nan 0.000 0.428 219 L N 3.808 124.753 121.223 -0.463 0.000 2.282 219 L HA 0.622 4.962 4.340 -0.000 0.000 0.288 219 L C -1.535 175.097 176.870 -0.397 0.000 1.033 219 L CA 0.066 54.715 54.840 -0.318 0.000 0.807 219 L CB 1.028 42.985 42.059 -0.169 0.000 1.209 219 L HN 0.651 nan 8.230 nan 0.000 0.423 220 W N 4.849 126.034 121.300 -0.193 0.000 2.336 220 W HA 0.423 5.083 4.660 -0.000 0.000 0.315 220 W C -0.237 176.105 176.519 -0.295 0.000 1.016 220 W CA -0.437 56.828 57.345 -0.135 0.000 1.318 220 W CB 0.618 30.061 29.460 -0.028 0.000 1.247 220 W HN 0.384 nan 8.180 nan 0.000 0.414 221 H N 3.407 122.435 119.070 -0.071 0.000 2.652 221 H HA 0.394 4.950 4.556 -0.000 0.000 0.298 221 H C -0.085 175.161 175.328 -0.136 0.000 1.076 221 H CA -0.313 55.606 56.048 -0.214 0.000 1.360 221 H CB 1.311 30.887 29.762 -0.308 0.000 1.421 221 H HN 0.328 nan 8.280 nan 0.000 0.464 222 V N 2.438 122.251 119.914 -0.170 0.000 2.555 222 V HA 0.480 4.600 4.120 -0.000 0.000 0.302 222 V C -1.184 174.753 176.094 -0.262 0.000 1.038 222 V CA -0.899 61.358 62.300 -0.071 0.000 0.887 222 V CB 1.531 33.323 31.823 -0.052 0.000 0.991 222 V HN 0.444 nan 8.190 nan 0.000 0.434 223 Y N 2.779 123.097 120.300 0.031 0.000 2.326 223 Y HA 0.831 5.381 4.550 -0.000 0.000 0.331 223 Y C -0.091 175.772 175.900 -0.062 0.000 0.962 223 Y CA -0.485 57.641 58.100 0.044 0.000 1.167 223 Y CB 1.746 40.258 38.460 0.088 0.000 1.148 223 Y HN 0.868 nan 8.280 nan 0.000 0.463 224 D N 4.499 124.944 120.400 0.075 0.000 2.746 224 D HA 0.118 4.758 4.640 -0.000 0.000 0.211 224 D C -2.359 173.947 176.300 0.010 0.000 1.242 224 D CA -1.506 52.496 54.000 0.004 0.000 0.790 224 D CB 2.898 43.652 40.800 -0.077 0.000 1.744 224 D HN 0.130 nan 8.370 nan 0.000 0.520 225 P HA -0.134 nan 4.420 nan 0.000 0.218 225 P C 1.473 178.767 177.300 -0.010 0.000 1.152 225 P CA 1.361 64.468 63.100 0.011 0.000 0.857 225 P CB 0.023 31.729 31.700 0.010 0.000 0.787 226 I N -4.974 115.579 120.570 -0.029 0.000 3.883 226 I HA 0.390 4.560 4.170 -0.000 0.000 0.326 226 I C 0.721 176.804 176.117 -0.056 0.000 1.283 226 I CA -0.494 60.783 61.300 -0.039 0.000 1.161 226 I CB -0.292 37.683 38.000 -0.042 0.000 1.012 226 I HN -0.274 nan 8.210 nan 0.000 0.421 227 A N 4.369 127.150 122.820 -0.066 0.000 2.522 227 A HA 0.376 4.696 4.320 -0.000 0.000 0.256 227 A C -2.085 175.451 177.584 -0.080 0.000 1.086 227 A CA -0.855 51.128 52.037 -0.091 0.000 0.763 227 A CB -0.766 18.169 19.000 -0.108 0.000 1.024 227 A HN 0.301 nan 8.150 nan 0.000 0.502 228 P HA 0.168 nan 4.420 nan 0.000 0.276 228 P C -0.369 176.885 177.300 -0.077 0.000 1.252 228 P CA -0.472 62.586 63.100 -0.071 0.000 0.802 228 P CB 0.548 32.206 31.700 -0.069 0.000 1.035 229 E N -0.251 119.910 120.200 -0.065 0.000 2.465 229 E HA 0.099 4.449 4.350 -0.000 0.000 0.260 229 E C -0.418 176.140 176.600 -0.070 0.000 0.980 229 E CA 0.325 56.685 56.400 -0.066 0.000 0.927 229 E CB 0.191 29.860 29.700 -0.051 0.000 0.934 229 E HN 0.372 nan 8.360 nan 0.000 0.459 230 C N 3.753 123.007 119.300 -0.076 0.000 2.381 230 C HA 0.197 4.657 4.460 -0.000 0.000 0.328 230 C C 1.719 176.676 174.990 -0.054 0.000 1.190 230 C CA -0.234 58.744 59.018 -0.067 0.000 1.369 230 C CB -0.010 27.684 27.740 -0.076 0.000 2.029 230 C HN 0.906 nan 8.230 nan 0.000 0.448 231 S N 2.945 118.621 115.700 -0.041 0.000 2.370 231 S HA -0.120 4.350 4.470 -0.000 0.000 0.226 231 S C 0.397 174.987 174.600 -0.017 0.000 1.033 231 S CA 0.931 59.114 58.200 -0.030 0.000 1.011 231 S CB -0.568 62.617 63.200 -0.024 0.000 0.852 231 S HN 0.879 nan 8.310 nan 0.000 0.457 232 D N 3.980 124.382 120.400 0.003 0.000 2.923 232 D HA -0.005 4.635 4.640 -0.000 0.000 0.220 232 D C -1.389 174.920 176.300 0.016 0.000 1.099 232 D CA -0.589 53.437 54.000 0.044 0.000 0.807 232 D CB 0.761 41.640 40.800 0.132 0.000 1.155 232 D HN 0.266 nan 8.370 nan 0.000 0.524 233 P HA -0.077 nan 4.420 nan 0.000 0.231 233 P C 0.573 177.852 177.300 -0.035 0.000 1.168 233 P CA 0.522 63.611 63.100 -0.018 0.000 0.779 233 P CB 0.259 31.952 31.700 -0.012 0.000 0.844 234 N N -0.124 118.559 118.700 -0.028 0.000 2.314 234 N HA 0.039 4.779 4.740 -0.000 0.000 0.200 234 N C -0.386 175.127 175.510 0.005 0.000 1.135 234 N CA -0.112 52.908 53.050 -0.050 0.000 0.835 234 N CB -0.104 38.318 38.487 -0.109 0.000 0.989 234 N HN -0.062 nan 8.380 nan 0.000 0.478 235 V N 1.973 121.883 119.914 -0.007 0.000 2.325 235 V HA 0.388 4.508 4.120 -0.000 0.000 0.280 235 V C -0.237 175.769 176.094 -0.147 0.000 1.016 235 V CA -0.681 61.610 62.300 -0.015 0.000 0.818 235 V CB 1.094 32.937 31.823 0.034 0.000 1.019 235 V HN 0.079 nan 8.190 nan 0.000 0.434 236 I N 5.217 125.616 120.570 -0.285 0.000 2.331 236 I HA 0.420 4.590 4.170 -0.000 0.000 0.292 236 I C -0.205 175.565 176.117 -0.578 0.000 0.998 236 I CA -0.422 60.617 61.300 -0.436 0.000 1.267 236 I CB 1.791 39.436 38.000 -0.591 0.000 1.386 236 I HN 0.239 nan 8.210 nan 0.000 0.476 237 V N 6.458 126.024 119.914 -0.581 0.000 2.513 237 V HA 0.415 4.535 4.120 -0.000 0.000 0.299 237 V C -0.462 175.190 176.094 -0.736 0.000 1.035 237 V CA -0.583 61.392 62.300 -0.542 0.000 0.889 237 V CB 1.519 33.175 31.823 -0.279 0.000 0.988 237 V HN 0.559 nan 8.190 nan 0.000 0.440 238 H N 3.809 122.727 119.070 -0.253 0.000 2.658 238 H HA 0.346 4.902 4.556 -0.000 0.000 0.337 238 H C 0.057 175.355 175.328 -0.050 0.000 1.009 238 H CA -0.471 55.475 56.048 -0.170 0.000 1.231 238 H CB 1.387 30.984 29.762 -0.275 0.000 1.508 238 H HN 0.636 nan 8.280 nan 0.000 0.517 239 N N 1.850 120.610 118.700 0.100 0.000 2.461 239 N HA 0.019 4.759 4.740 -0.000 0.000 0.188 239 N C 0.485 176.064 175.510 0.115 0.000 1.134 239 N CA -0.127 52.969 53.050 0.075 0.000 0.878 239 N CB 0.425 38.938 38.487 0.043 0.000 0.972 239 N HN 0.391 nan 8.380 nan 0.000 0.456 240 I N 1.228 121.908 120.570 0.183 0.000 2.948 240 I HA -0.109 4.061 4.170 -0.000 0.000 0.290 240 I C 0.318 176.536 176.117 0.169 0.000 1.226 240 I CA 0.416 61.830 61.300 0.189 0.000 1.413 240 I CB 0.458 38.608 38.000 0.251 0.000 1.352 240 I HN 0.111 nan 8.210 nan 0.000 0.597 241 M N 6.496 126.168 119.600 0.119 0.000 2.336 241 M HA 0.517 4.997 4.480 -0.000 0.000 0.342 241 M C -1.496 174.853 176.300 0.081 0.000 1.128 241 M CA -0.301 55.047 55.300 0.080 0.000 1.016 241 M CB 1.396 34.029 32.600 0.054 0.000 1.665 241 M HN 0.199 nan 8.290 nan 0.000 0.445 242 V N 5.568 125.511 119.914 0.048 0.000 2.333 242 V HA 0.321 4.441 4.120 -0.000 0.000 0.274 242 V C -0.241 175.950 176.094 0.162 0.000 1.028 242 V CA -0.293 62.054 62.300 0.078 0.000 0.851 242 V CB 0.871 32.709 31.823 0.025 0.000 1.000 242 V HN 1.006 nan 8.190 nan 0.000 0.456 243 D N 2.254 122.748 120.400 0.157 0.000 2.500 243 D HA 0.130 4.770 4.640 -0.000 0.000 0.217 243 D C 0.538 176.923 176.300 0.142 0.000 1.159 243 D CA 0.379 54.480 54.000 0.169 0.000 0.828 243 D CB 1.074 41.946 40.800 0.119 0.000 1.039 243 D HN 0.566 nan 8.370 nan 0.000 0.512 244 S N -0.431 115.346 115.700 0.129 0.000 2.656 244 S HA 0.297 4.767 4.470 -0.000 0.000 0.273 244 S C 0.682 175.334 174.600 0.087 0.000 1.168 244 S CA -0.426 57.828 58.200 0.090 0.000 0.817 244 S CB 1.838 65.072 63.200 0.057 0.000 1.146 244 S HN 0.013 nan 8.310 nan 0.000 0.475 245 K N 0.844 121.274 120.400 0.050 0.000 2.211 245 K HA 0.017 4.337 4.320 -0.000 0.000 0.203 245 K C 1.328 177.954 176.600 0.044 0.000 1.050 245 K CA 1.090 57.404 56.287 0.045 0.000 0.945 245 K CB -0.401 32.105 32.500 0.010 0.000 0.732 245 K HN 0.571 nan 8.250 nan 0.000 0.451 246 K N 0.973 121.392 120.400 0.032 0.000 2.283 246 K HA -0.085 4.235 4.320 -0.000 0.000 0.202 246 K C 1.339 177.950 176.600 0.019 0.000 1.048 246 K CA 1.378 57.676 56.287 0.018 0.000 0.948 246 K CB -0.010 32.498 32.500 0.013 0.000 0.742 246 K HN 0.284 nan 8.250 nan 0.000 0.458 247 D N 0.575 121.002 120.400 0.046 0.000 2.264 247 D HA -0.089 4.551 4.640 -0.000 0.000 0.208 247 D C 1.608 177.968 176.300 0.099 0.000 0.966 247 D CA 1.095 55.137 54.000 0.070 0.000 0.864 247 D CB 0.147 40.992 40.800 0.075 0.000 0.933 247 D HN 0.283 nan 8.370 nan 0.000 0.499 248 I N -0.184 120.428 120.570 0.070 0.000 3.616 248 I HA -0.078 4.092 4.170 -0.000 0.000 0.296 248 I C 2.106 178.270 176.117 0.079 0.000 1.226 248 I CA -0.069 61.307 61.300 0.126 0.000 1.394 248 I CB 0.382 38.445 38.000 0.105 0.000 1.171 248 I HN -0.127 nan 8.210 nan 0.000 0.442 249 L N 2.086 123.331 121.223 0.037 0.000 2.079 249 L HA -0.213 4.127 4.340 -0.000 0.000 0.210 249 L C 2.434 179.304 176.870 0.000 0.000 1.081 249 L CA 2.020 56.896 54.840 0.060 0.000 0.752 249 L CB -1.081 41.023 42.059 0.075 0.000 0.896 249 L HN 0.461 nan 8.230 nan 0.000 0.433 250 K N -1.126 119.176 120.400 -0.164 0.000 2.585 250 K HA -0.138 4.182 4.320 -0.000 0.000 0.194 250 K C 0.112 176.464 176.600 -0.414 0.000 1.037 250 K CA 0.991 57.096 56.287 -0.303 0.000 0.964 250 K CB -0.186 32.081 32.500 -0.389 0.000 0.787 250 K HN 0.407 nan 8.250 nan 0.000 0.488 251 H N 0.554 119.621 119.070 -0.005 0.000 2.429 251 H HA 0.418 4.974 4.556 -0.000 0.000 0.237 251 H C -0.788 174.474 175.328 -0.111 0.000 1.378 251 H CA -0.276 55.717 56.048 -0.091 0.000 1.170 251 H CB 0.003 29.600 29.762 -0.275 0.000 1.671 251 H HN 0.143 nan 8.280 nan 0.000 0.541 252 M N 1.280 120.853 119.600 -0.044 0.000 2.365 252 M HA 0.148 4.628 4.480 -0.000 0.000 0.287 252 M C -0.870 175.228 176.300 -0.338 0.000 1.154 252 M CA -0.616 54.529 55.300 -0.257 0.000 0.941 252 M CB 3.003 35.249 32.600 -0.590 0.000 1.704 252 M HN 0.023 nan 8.290 nan 0.000 0.479 253 N N 1.726 120.241 118.700 -0.307 0.000 2.419 253 N HA 0.394 5.134 4.740 -0.000 0.000 0.264 253 N C -0.597 174.685 175.510 -0.379 0.000 1.031 253 N CA 0.098 53.018 53.050 -0.218 0.000 0.951 253 N CB 0.612 39.051 38.487 -0.079 0.000 1.101 253 N HN 0.510 nan 8.380 nan 0.000 0.488 254 F N 1.628 121.562 119.950 -0.026 0.000 2.582 254 F HA 0.237 4.764 4.527 -0.000 0.000 0.290 254 F C 1.898 177.673 175.800 -0.041 0.000 1.115 254 F CA -0.072 57.901 58.000 -0.044 0.000 1.445 254 F CB 0.283 39.252 39.000 -0.051 0.000 1.126 254 F HN 0.383 nan 8.300 nan 0.000 0.574 255 L N 0.220 121.517 121.223 0.124 0.000 2.549 255 L HA -0.088 4.252 4.340 -0.000 0.000 0.230 255 L C 0.606 177.485 176.870 0.014 0.000 1.162 255 L CA 1.150 56.025 54.840 0.058 0.000 0.834 255 L CB -0.251 41.834 42.059 0.043 0.000 0.947 255 L HN -0.021 nan 8.230 nan 0.000 0.452 256 K N 0.145 120.541 120.400 -0.007 0.000 2.482 256 K HA 0.259 4.579 4.320 -0.000 0.000 0.251 256 K C -0.572 175.988 176.600 -0.067 0.000 0.936 256 K CA -0.727 55.536 56.287 -0.039 0.000 0.791 256 K CB 2.069 34.549 32.500 -0.033 0.000 1.213 256 K HN -0.110 nan 8.250 nan 0.000 0.428 257 R N 1.998 122.439 120.500 -0.098 0.000 2.679 257 R HA 0.254 4.594 4.340 -0.000 0.000 0.268 257 R C -0.425 175.824 176.300 -0.085 0.000 1.044 257 R CA 0.062 56.071 56.100 -0.152 0.000 1.105 257 R CB 0.438 30.538 30.300 -0.334 0.000 0.989 257 R HN 0.440 nan 8.270 nan 0.000 0.447 258 V N -0.640 119.265 119.914 -0.014 0.000 3.278 258 V HA 0.294 4.414 4.120 -0.000 0.000 0.288 258 V C -1.274 174.910 176.094 0.149 0.000 1.514 258 V CA -1.175 61.175 62.300 0.083 0.000 1.051 258 V CB 1.718 33.550 31.823 0.015 0.000 1.163 258 V HN 0.853 nan 8.190 nan 0.000 0.458 259 E N 1.512 121.802 120.200 0.150 0.000 2.115 259 E HA 0.518 4.868 4.350 -0.000 0.000 0.282 259 E C -0.535 176.123 176.600 0.097 0.000 0.987 259 E CA -0.709 55.742 56.400 0.085 0.000 0.797 259 E CB 1.060 30.800 29.700 0.067 0.000 1.086 259 E HN 0.633 nan 8.360 nan 0.000 0.397 260 R N 3.349 123.901 120.500 0.087 0.000 2.474 260 R HA 0.459 4.799 4.340 -0.000 0.000 0.295 260 R C -0.921 175.649 176.300 0.451 0.000 0.980 260 R CA -1.039 55.166 56.100 0.176 0.000 0.934 260 R CB 1.256 31.429 30.300 -0.212 0.000 1.101 260 R HN 0.371 nan 8.270 nan 0.000 0.469 261 L N 3.380 124.903 121.223 0.501 0.000 2.356 261 L HA 0.446 4.786 4.340 -0.000 0.000 0.277 261 L C -1.476 175.606 176.870 0.352 0.000 0.996 261 L CA -0.558 54.529 54.840 0.411 0.000 0.822 261 L CB 1.337 43.517 42.059 0.201 0.000 1.256 261 L HN 0.548 nan 8.230 nan 0.000 0.413 262 F N 6.290 126.110 119.950 -0.216 0.000 2.415 262 F HA 0.710 5.237 4.527 -0.000 0.000 0.348 262 F C -0.820 174.901 175.800 -0.132 0.000 1.119 262 F CA -0.472 57.239 58.000 -0.483 0.000 1.069 262 F CB 0.867 39.004 39.000 -1.438 0.000 1.124 262 F HN 0.382 nan 8.300 nan 0.000 0.472 263 I N 6.863 127.151 120.570 -0.470 0.000 2.439 263 I HA 0.177 4.347 4.170 -0.000 0.000 0.285 263 I C -1.472 174.498 176.117 -0.245 0.000 1.021 263 I CA -0.543 60.602 61.300 -0.257 0.000 1.091 263 I CB 1.343 39.151 38.000 -0.321 0.000 1.242 263 I HN 0.639 nan 8.210 nan 0.000 0.439 264 W N 7.565 128.733 121.300 -0.219 0.000 2.417 264 W HA 0.373 5.033 4.660 -0.000 0.000 0.315 264 W C -1.138 175.420 176.519 0.065 0.000 1.045 264 W CA -0.437 56.857 57.345 -0.086 0.000 1.221 264 W CB 1.717 31.219 29.460 0.070 0.000 1.309 264 W HN 0.514 nan 8.180 nan 0.000 0.453 265 D N 5.104 125.427 120.400 -0.128 0.000 2.945 265 D HA 0.206 4.846 4.640 -0.000 0.000 0.369 265 D C -1.419 174.766 176.300 -0.192 0.000 1.294 265 D CA 0.029 54.022 54.000 -0.012 0.000 0.778 265 D CB 0.385 41.288 40.800 0.170 0.000 1.188 265 D HN -0.062 nan 8.370 nan 0.000 0.479 266 V N 1.631 121.308 119.914 -0.395 0.000 2.350 266 V HA 0.614 4.734 4.120 -0.000 0.000 0.276 266 V C 0.168 176.223 176.094 -0.066 0.000 1.028 266 V CA -0.558 61.517 62.300 -0.376 0.000 0.860 266 V CB 1.129 32.471 31.823 -0.802 0.000 0.990 266 V HN 0.464 nan 8.190 nan 0.000 0.453 267 S N 2.977 118.650 115.700 -0.045 0.000 2.541 267 S HA 0.738 5.208 4.470 -0.000 0.000 0.280 267 S C -0.305 174.303 174.600 0.014 0.000 1.112 267 S CA -0.624 57.588 58.200 0.019 0.000 0.925 267 S CB 2.117 65.336 63.200 0.032 0.000 1.067 267 S HN 0.479 nan 8.310 nan 0.000 0.479 268 S N 1.778 117.503 115.700 0.040 0.000 2.430 268 S HA 0.610 5.080 4.470 -0.000 0.000 0.246 268 S C -0.597 174.022 174.600 0.032 0.000 1.155 268 S CA -0.471 57.751 58.200 0.036 0.000 1.054 268 S CB -0.134 63.100 63.200 0.057 0.000 1.154 268 S HN 0.867 nan 8.310 nan 0.000 0.482 278 W N 0.907 122.197 121.300 -0.016 0.000 2.415 278 W HA 0.634 5.294 4.660 -0.000 0.000 0.355 278 W C -0.022 176.489 176.519 -0.014 0.000 1.161 278 W CA -0.895 56.436 57.345 -0.023 0.000 1.315 278 W CB 0.620 30.056 29.460 -0.040 0.000 1.261 278 W HN 0.024 nan 8.180 nan 0.000 0.636 279 E N 1.448 121.897 120.200 0.416 0.000 2.267 279 E HA 0.084 4.434 4.350 -0.000 0.000 0.241 279 E C 0.329 177.025 176.600 0.160 0.000 0.950 279 E CA -0.204 56.370 56.400 0.291 0.000 0.776 279 E CB 0.855 30.656 29.700 0.169 0.000 1.207 279 E HN 0.400 nan 8.360 nan 0.000 0.436 280 T N -1.633 112.987 114.554 0.111 0.000 3.264 280 T HA 0.142 4.492 4.350 -0.000 0.000 0.257 280 T C 0.839 175.567 174.700 0.045 0.000 0.976 280 T CA -0.295 61.705 62.100 -0.166 0.000 0.908 280 T CB 0.189 68.655 68.868 -0.671 0.000 1.082 280 T HN 0.116 nan 8.240 nan 0.000 0.567 281 T N 0.140 114.791 114.554 0.161 0.000 3.174 281 T HA 0.270 4.620 4.350 -0.000 0.000 0.252 281 T C 1.862 176.667 174.700 0.174 0.000 0.984 281 T CA -0.496 61.712 62.100 0.179 0.000 1.113 281 T CB 0.025 69.011 68.868 0.197 0.000 1.088 281 T HN 0.159 nan 8.240 nan 0.000 0.442 282 R N 0.308 120.907 120.500 0.164 0.000 2.196 282 R HA -0.184 4.156 4.340 -0.000 0.000 0.259 282 R C 2.043 178.434 176.300 0.151 0.000 1.154 282 R CA 1.883 58.071 56.100 0.147 0.000 0.976 282 R CB -0.558 29.822 30.300 0.132 0.000 0.888 282 R HN 0.286 nan 8.270 nan 0.000 0.453 283 F N 0.229 120.162 119.950 -0.027 0.000 2.039 283 F HA -0.122 4.405 4.527 -0.000 0.000 0.294 283 F C 2.242 178.021 175.800 -0.035 0.000 1.130 283 F CA 1.720 59.669 58.000 -0.085 0.000 1.189 283 F CB -0.546 38.367 39.000 -0.146 0.000 0.983 283 F HN 0.022 nan 8.300 nan 0.000 0.471 284 A N -0.844 122.080 122.820 0.174 0.000 2.248 284 A HA -0.079 4.241 4.320 -0.000 0.000 0.210 284 A C 1.849 179.480 177.584 0.079 0.000 1.174 284 A CA 1.287 53.375 52.037 0.085 0.000 0.750 284 A CB -0.802 18.268 19.000 0.116 0.000 0.780 284 A HN 0.590 nan 8.150 nan 0.000 0.478 285 E N -0.303 119.975 120.200 0.130 0.000 2.038 285 E HA -0.071 4.279 4.350 -0.000 0.000 0.190 285 E C 1.253 178.012 176.600 0.265 0.000 0.967 285 E CA 0.557 57.138 56.400 0.301 0.000 0.816 285 E CB -0.091 29.807 29.700 0.331 0.000 0.784 285 E HN 0.421 nan 8.360 nan 0.000 0.456 286 D N 0.638 121.128 120.400 0.151 0.000 2.230 286 D HA -0.227 4.413 4.640 -0.000 0.000 0.189 286 D C 1.953 178.087 176.300 -0.277 0.000 1.006 286 D CA 1.335 55.304 54.000 -0.051 0.000 0.853 286 D CB -0.162 40.514 40.800 -0.206 0.000 0.959 286 D HN -0.104 nan 8.370 nan 0.000 0.449 287 R N -0.138 120.175 120.500 -0.312 0.000 2.105 287 R HA -0.040 4.300 4.340 -0.000 0.000 0.239 287 R C 2.167 178.291 176.300 -0.292 0.000 1.135 287 R CA 0.376 56.299 56.100 -0.295 0.000 0.967 287 R CB -0.994 29.146 30.300 -0.266 0.000 0.861 287 R HN 0.257 nan 8.270 nan 0.000 0.442 288 L N -0.378 120.678 121.223 -0.278 0.000 2.141 288 L HA 0.068 4.408 4.340 -0.000 0.000 0.209 288 L C 1.878 178.267 176.870 -0.802 0.000 1.094 288 L CA 2.061 56.702 54.840 -0.332 0.000 0.763 288 L CB -0.909 41.105 42.059 -0.075 0.000 0.908 288 L HN 0.225 nan 8.230 nan 0.000 0.437 289 G N -0.964 106.897 108.800 -1.565 0.000 2.421 289 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.216 289 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.216 289 G C 1.344 175.758 174.900 -0.809 0.000 1.171 289 G CA 0.743 44.518 45.100 -2.209 0.000 0.775 289 G HN 0.529 nan 8.290 nan 0.000 0.543 290 E N 0.721 120.584 120.200 -0.562 0.000 2.033 290 E HA -0.190 4.160 4.350 -0.000 0.000 0.199 290 E C 2.354 178.795 176.600 -0.263 0.000 1.011 290 E CA 1.337 57.550 56.400 -0.310 0.000 0.815 290 E CB -0.308 29.253 29.700 -0.232 0.000 0.755 290 E HN 0.541 nan 8.360 nan 0.000 0.451 291 E N 0.485 120.528 120.200 -0.262 0.000 2.171 291 E HA -0.200 4.150 4.350 -0.000 0.000 0.197 291 E C 2.110 178.613 176.600 -0.162 0.000 0.997 291 E CA 0.923 57.220 56.400 -0.171 0.000 0.810 291 E CB -0.126 29.482 29.700 -0.154 0.000 0.738 291 E HN 0.311 nan 8.360 nan 0.000 0.467 292 I N 0.452 120.857 120.570 -0.275 0.000 2.235 292 I HA -0.187 3.983 4.170 -0.000 0.000 0.241 292 I C 2.500 178.383 176.117 -0.389 0.000 1.085 292 I CA 0.716 61.859 61.300 -0.261 0.000 1.378 292 I CB -0.241 37.643 38.000 -0.193 0.000 1.076 292 I HN 0.079 nan 8.210 nan 0.000 0.415 293 A N 0.128 122.553 122.820 -0.658 0.000 1.908 293 A HA -0.302 4.018 4.320 -0.000 0.000 0.218 293 A C 2.279 179.676 177.584 -0.312 0.000 1.181 293 A CA 1.661 53.254 52.037 -0.741 0.000 0.627 293 A CB -1.108 17.409 19.000 -0.805 0.000 0.818 293 A HN 0.501 nan 8.150 nan 0.000 0.445 294 Y N 0.761 120.882 120.300 -0.299 0.000 2.224 294 Y HA -0.176 4.374 4.550 -0.000 0.000 0.289 294 Y C 2.265 178.078 175.900 -0.145 0.000 1.146 294 Y CA 2.115 60.098 58.100 -0.195 0.000 1.182 294 Y CB -0.191 38.169 38.460 -0.168 0.000 0.983 294 Y HN 0.496 nan 8.280 nan 0.000 0.524 295 E N -0.734 119.425 120.200 -0.068 0.000 2.204 295 E HA -0.195 4.155 4.350 -0.000 0.000 0.195 295 E C 1.618 178.143 176.600 -0.126 0.000 0.990 295 E CA 1.289 57.635 56.400 -0.089 0.000 0.821 295 E CB -0.140 29.527 29.700 -0.054 0.000 0.750 295 E HN 0.548 nan 8.360 nan 0.000 0.477 296 M N 0.073 119.596 119.600 -0.128 0.000 2.333 296 M HA 0.140 4.620 4.480 -0.000 0.000 0.257 296 M C 0.786 177.072 176.300 -0.024 0.000 1.078 296 M CA -0.287 54.991 55.300 -0.037 0.000 1.005 296 M CB 1.087 33.740 32.600 0.089 0.000 1.444 296 M HN -0.069 nan 8.290 nan 0.000 0.496 297 G N 0.225 108.928 108.800 -0.162 0.000 2.254 297 G HA2 0.349 4.309 3.960 -0.000 0.000 0.253 297 G HA3 0.349 4.309 3.960 -0.000 0.000 0.253 297 G C 0.842 175.652 174.900 -0.151 0.000 1.246 297 G CA 0.666 45.657 45.100 -0.181 0.000 0.946 297 G HN 0.579 nan 8.290 nan 0.000 0.474 298 G N 1.326 110.079 108.800 -0.079 0.000 2.796 298 G HA2 0.064 4.024 3.960 -0.000 0.000 0.198 298 G HA3 0.064 4.024 3.960 -0.000 0.000 0.198 298 G C 1.261 176.146 174.900 -0.026 0.000 1.062 298 G CA 0.839 45.904 45.100 -0.057 0.000 0.752 298 G HN 1.564 nan 8.290 nan 0.000 0.487 299 A N -0.331 122.464 122.820 -0.042 0.000 1.973 299 A HA 0.745 5.065 4.320 -0.000 0.000 0.210 299 A C 0.621 178.045 177.584 -0.266 0.000 1.200 299 A CA 0.524 52.479 52.037 -0.137 0.000 0.707 299 A CB 0.028 18.908 19.000 -0.199 0.000 0.862 299 A HN 0.469 nan 8.150 nan 0.000 0.461 300 F N 0.112 120.042 119.950 -0.035 0.000 2.421 300 F HA 0.293 4.820 4.527 -0.000 0.000 0.337 300 F C 1.819 177.596 175.800 -0.038 0.000 1.105 300 F CA 0.197 58.186 58.000 -0.019 0.000 1.049 300 F CB 1.826 40.808 39.000 -0.030 0.000 1.139 300 F HN 0.163 nan 8.300 nan 0.000 0.479 301 S N 1.249 117.062 115.700 0.188 0.000 2.402 301 S HA 0.005 4.475 4.470 -0.000 0.000 0.229 301 S C 0.372 175.000 174.600 0.046 0.000 1.021 301 S CA 0.891 59.139 58.200 0.080 0.000 0.974 301 S CB -0.295 62.954 63.200 0.083 0.000 0.800 301 S HN 0.688 nan 8.310 nan 0.000 0.484 302 S N -0.971 114.787 115.700 0.097 0.000 2.615 302 S HA 0.783 5.253 4.470 -0.000 0.000 0.268 302 S C -1.006 173.571 174.600 -0.038 0.000 1.146 302 S CA -0.619 57.539 58.200 -0.071 0.000 0.818 302 S CB 1.045 64.249 63.200 0.006 0.000 1.111 302 S HN 1.091 nan 8.310 nan 0.000 0.465 303 A N 0.077 122.796 122.820 -0.169 0.000 2.469 303 A HA 0.890 5.210 4.320 -0.000 0.000 0.299 303 A C -1.646 176.008 177.584 0.118 0.000 1.098 303 A CA -0.719 51.328 52.037 0.016 0.000 0.737 303 A CB 1.615 20.623 19.000 0.013 0.000 1.312 303 A HN 1.169 nan 8.150 nan 0.000 0.414 304 L N 2.863 124.212 121.223 0.209 0.000 2.433 304 L HA 0.440 4.780 4.340 -0.000 0.000 0.256 304 L C -1.050 175.973 176.870 0.255 0.000 1.063 304 L CA -0.144 54.856 54.840 0.268 0.000 0.922 304 L CB 0.730 42.941 42.059 0.255 0.000 1.238 304 L HN 0.580 nan 8.230 nan 0.000 0.466 305 I N 2.712 123.442 120.570 0.268 0.000 2.428 305 I HA 0.230 4.400 4.170 -0.000 0.000 0.289 305 I C 0.767 177.079 176.117 0.324 0.000 1.019 305 I CA -0.561 60.919 61.300 0.299 0.000 1.351 305 I CB 1.110 39.209 38.000 0.166 0.000 1.412 305 I HN 0.528 nan 8.210 nan 0.000 0.513 306 K N 5.536 126.174 120.400 0.397 0.000 2.436 306 K HA -0.023 4.297 4.320 -0.000 0.000 0.275 306 K C -0.340 176.448 176.600 0.313 0.000 0.999 306 K CA 0.215 56.704 56.287 0.337 0.000 0.980 306 K CB 0.410 33.103 32.500 0.323 0.000 0.919 306 K HN 0.603 nan 8.250 nan 0.000 0.484 307 H N 5.629 124.807 119.070 0.180 0.000 2.607 307 H HA 0.106 4.662 4.556 -0.000 0.000 0.248 307 H C -0.709 174.706 175.328 0.145 0.000 1.355 307 H CA -0.725 55.405 56.048 0.136 0.000 1.524 307 H CB 0.286 30.133 29.762 0.141 0.000 1.563 307 H HN 0.593 nan 8.280 nan 0.000 0.509 308 R N 4.006 124.504 120.500 -0.004 0.000 2.267 308 R HA 0.232 4.572 4.340 -0.000 0.000 0.319 308 R C -0.131 176.140 176.300 -0.048 0.000 1.067 308 R CA -0.529 55.597 56.100 0.043 0.000 0.936 308 R CB 0.625 30.970 30.300 0.075 0.000 1.006 308 R HN 0.318 nan 8.270 nan 0.000 0.452 309 I N 5.173 125.791 120.570 0.081 0.000 2.598 309 I HA 0.066 4.236 4.170 -0.000 0.000 0.284 309 I C -1.601 174.528 176.117 0.020 0.000 1.140 309 I CA -1.760 59.591 61.300 0.085 0.000 1.420 309 I CB 0.295 38.422 38.000 0.212 0.000 1.387 309 I HN 0.368 nan 8.210 nan 0.000 0.553 310 P HA 0.231 nan 4.420 nan 0.000 0.281 310 P C -0.491 176.759 177.300 -0.083 0.000 1.249 310 P CA -0.579 62.456 63.100 -0.109 0.000 0.810 310 P CB 0.785 32.312 31.700 -0.288 0.000 1.008 311 N N -0.075 118.573 118.700 -0.088 0.000 2.402 311 N HA -0.040 4.700 4.740 -0.000 0.000 0.174 311 N C 1.302 176.761 175.510 -0.085 0.000 1.027 311 N CA 0.452 53.453 53.050 -0.081 0.000 0.891 311 N CB -0.264 38.180 38.487 -0.073 0.000 1.016 311 N HN 0.259 nan 8.380 nan 0.000 0.439 312 S N 0.768 116.397 115.700 -0.118 0.000 2.406 312 S HA 0.012 4.482 4.470 -0.000 0.000 0.228 312 S C 0.705 175.221 174.600 -0.141 0.000 1.020 312 S CA 0.985 59.106 58.200 -0.132 0.000 0.965 312 S CB 0.067 63.156 63.200 -0.185 0.000 0.798 312 S HN 0.249 nan 8.310 nan 0.000 0.488 313 K N 1.420 121.721 120.400 -0.164 0.000 2.185 313 K HA 0.237 4.557 4.320 -0.000 0.000 0.269 313 K C -0.088 176.516 176.600 0.007 0.000 0.987 313 K CA -0.307 55.913 56.287 -0.111 0.000 0.865 313 K CB 1.063 33.445 32.500 -0.196 0.000 1.090 313 K HN -0.088 nan 8.250 nan 0.000 0.450 314 D N 2.442 122.851 120.400 0.015 0.000 2.289 314 D HA -0.055 4.585 4.640 -0.000 0.000 0.207 314 D C -0.419 175.912 176.300 0.052 0.000 0.966 314 D CA 1.017 55.035 54.000 0.030 0.000 0.868 314 D CB 0.551 41.352 40.800 0.002 0.000 0.943 314 D HN 0.686 nan 8.370 nan 0.000 0.514 315 E N -0.837 119.406 120.200 0.071 0.000 2.400 315 E HA 0.412 4.762 4.350 -0.000 0.000 0.285 315 E C -1.256 175.354 176.600 0.017 0.000 1.005 315 E CA -1.011 55.381 56.400 -0.014 0.000 0.816 315 E CB 1.050 30.701 29.700 -0.083 0.000 1.220 315 E HN 0.030 nan 8.360 nan 0.000 0.426 316 Y N -1.453 118.752 120.300 -0.158 0.000 2.853 316 Y HA 0.639 5.189 4.550 -0.000 0.000 0.326 316 Y C -1.045 174.669 175.900 -0.310 0.000 1.384 316 Y CA -1.235 56.769 58.100 -0.159 0.000 1.077 316 Y CB 1.086 39.616 38.460 0.117 0.000 1.395 316 Y HN 0.607 nan 8.280 nan 0.000 0.451 317 H N 0.029 119.302 119.070 0.338 0.000 2.771 317 H HA 0.811 5.367 4.556 -0.000 0.000 0.367 317 H C -0.695 174.769 175.328 0.227 0.000 1.172 317 H CA -0.403 55.748 56.048 0.171 0.000 1.186 317 H CB 2.104 31.919 29.762 0.088 0.000 1.790 317 H HN 1.117 nan 8.280 nan 0.000 0.556 318 C N -0.411 119.036 119.300 0.246 0.000 3.295 318 C HA 0.568 5.028 4.460 -0.000 0.000 0.341 318 C C -0.681 174.316 174.990 0.012 0.000 1.418 318 C CA -1.054 58.033 59.018 0.114 0.000 1.240 318 C CB -0.120 27.725 27.740 0.176 0.000 1.562 318 C HN 0.681 nan 8.230 nan 0.000 0.457 319 I N 2.727 123.254 120.570 -0.071 0.000 2.301 319 I HA 0.580 4.750 4.170 -0.000 0.000 0.292 319 I C 0.454 176.522 176.117 -0.083 0.000 1.046 319 I CA 0.779 61.994 61.300 -0.141 0.000 1.282 319 I CB 1.094 38.938 38.000 -0.260 0.000 1.409 319 I HN 0.834 nan 8.210 nan 0.000 0.484 320 S N 3.161 118.822 115.700 -0.065 0.000 2.570 320 S HA 0.516 4.986 4.470 -0.000 0.000 0.270 320 S C 0.337 174.893 174.600 -0.072 0.000 1.149 320 S CA -0.476 57.686 58.200 -0.063 0.000 0.837 320 S CB 1.773 64.950 63.200 -0.039 0.000 1.124 320 S HN 0.596 nan 8.310 nan 0.000 0.465 321 T N 1.807 116.289 114.554 -0.120 0.000 2.990 321 T HA 0.318 4.668 4.350 -0.000 0.000 0.237 321 T C -0.432 174.228 174.700 -0.066 0.000 1.009 321 T CA 0.810 62.803 62.100 -0.178 0.000 1.195 321 T CB -0.270 68.398 68.868 -0.333 0.000 0.885 321 T HN 0.641 nan 8.240 nan 0.000 0.424 322 Y N -0.105 120.211 120.300 0.027 0.000 2.524 322 Y HA 0.658 5.208 4.550 -0.000 0.000 0.344 322 Y C -0.699 174.950 175.900 -0.418 0.000 1.012 322 Y CA -1.421 56.574 58.100 -0.174 0.000 1.068 322 Y CB 1.778 40.087 38.460 -0.251 0.000 1.249 322 Y HN -0.049 nan 8.280 nan 0.000 0.468 323 L N 4.298 125.390 121.223 -0.218 0.000 2.372 323 L HA 0.439 4.779 4.340 -0.000 0.000 0.273 323 L C -1.459 175.284 176.870 -0.212 0.000 0.989 323 L CA -0.556 54.102 54.840 -0.304 0.000 0.841 323 L CB 0.759 42.733 42.059 -0.141 0.000 1.225 323 L HN 0.472 nan 8.230 nan 0.000 0.414 324 F N 2.216 122.235 119.950 0.114 0.000 2.598 324 F HA 0.877 5.404 4.527 -0.000 0.000 0.327 324 F C -2.638 173.226 175.800 0.106 0.000 1.057 324 F CA -3.681 54.352 58.000 0.055 0.000 0.957 324 F CB -0.296 38.677 39.000 -0.045 0.000 1.278 324 F HN 0.104 nan 8.300 nan 0.000 0.484 325 P HA 0.297 nan 4.420 nan 0.000 0.286 325 P C -1.563 175.936 177.300 0.331 0.000 1.293 325 P CA -0.445 62.912 63.100 0.429 0.000 0.770 325 P CB 0.557 32.478 31.700 0.369 0.000 1.206 326 Q N -0.201 119.753 119.800 0.256 0.000 2.292 326 Q HA 0.424 4.764 4.340 -0.000 0.000 0.270 326 Q C -2.507 173.453 176.000 -0.066 0.000 1.024 326 Q CA -2.102 53.737 55.803 0.060 0.000 0.768 326 Q CB 1.552 30.313 28.738 0.040 0.000 1.250 326 Q HN 0.278 nan 8.270 nan 0.000 0.447 327 P HA 0.055 nan 4.420 nan 0.000 0.272 327 P C 0.736 178.019 177.300 -0.028 0.000 1.230 327 P CA 0.533 63.628 63.100 -0.008 0.000 0.788 327 P CB 0.646 32.353 31.700 0.012 0.000 0.949 328 G N 0.264 109.043 108.800 -0.035 0.000 2.220 328 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.269 328 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.269 328 G C 0.485 175.348 174.900 -0.063 0.000 0.977 328 G CA 0.203 45.282 45.100 -0.036 0.000 0.634 328 G HN 0.874 nan 8.290 nan 0.000 0.539 329 A N 0.289 123.029 122.820 -0.133 0.000 2.462 329 A HA 0.516 4.836 4.320 -0.000 0.000 0.243 329 A C 0.475 177.978 177.584 -0.135 0.000 1.076 329 A CA 0.376 52.294 52.037 -0.198 0.000 0.773 329 A CB 0.237 18.937 19.000 -0.501 0.000 1.010 329 A HN 0.326 nan 8.150 nan 0.000 0.493 330 D N 1.000 121.361 120.400 -0.065 0.000 2.406 330 D HA 0.271 4.911 4.640 -0.000 0.000 0.234 330 D C 1.429 177.738 176.300 0.015 0.000 1.196 330 D CA 1.102 55.095 54.000 -0.012 0.000 0.881 330 D CB 0.707 41.517 40.800 0.017 0.000 1.205 330 D HN 0.569 nan 8.370 nan 0.000 0.453 331 A N 1.731 124.569 122.820 0.031 0.000 1.968 331 A HA -0.156 4.164 4.320 -0.000 0.000 0.217 331 A C 1.378 178.977 177.584 0.024 0.000 1.169 331 A CA 1.573 53.632 52.037 0.037 0.000 0.638 331 A CB -0.285 18.731 19.000 0.027 0.000 0.812 331 A HN 0.654 nan 8.150 nan 0.000 0.446 332 D N -1.845 118.597 120.400 0.071 0.000 2.340 332 D HA 0.121 4.761 4.640 -0.000 0.000 0.220 332 D C 0.677 177.095 176.300 0.197 0.000 1.039 332 D CA -0.086 54.009 54.000 0.157 0.000 0.866 332 D CB -0.436 40.463 40.800 0.164 0.000 0.913 332 D HN 0.260 nan 8.370 nan 0.000 0.523 333 M N 1.244 120.914 119.600 0.116 0.000 2.350 333 M HA 0.149 4.629 4.480 -0.000 0.000 0.338 333 M C -1.296 175.102 176.300 0.163 0.000 1.559 333 M CA -0.299 55.094 55.300 0.155 0.000 1.217 333 M CB -0.237 32.420 32.600 0.094 0.000 1.808 333 M HN -0.008 nan 8.290 nan 0.000 0.458 334 Y N 3.722 124.121 120.300 0.165 0.000 2.880 334 Y HA 0.349 4.899 4.550 -0.000 0.000 0.386 334 Y C 0.033 176.032 175.900 0.164 0.000 1.172 334 Y CA -0.220 57.966 58.100 0.143 0.000 1.770 334 Y CB 0.047 38.559 38.460 0.086 0.000 1.809 334 Y HN 0.611 nan 8.280 nan 0.000 0.472 335 E N 1.487 121.868 120.200 0.301 0.000 2.260 335 E HA 0.426 4.776 4.350 -0.000 0.000 0.266 335 E C -1.482 175.332 176.600 0.357 0.000 0.887 335 E CA -0.441 56.134 56.400 0.293 0.000 0.777 335 E CB 1.123 30.964 29.700 0.234 0.000 1.205 335 E HN 0.369 nan 8.360 nan 0.000 0.414 336 L N 2.643 124.082 121.223 0.361 0.000 2.400 336 L HA 0.611 4.951 4.340 -0.000 0.000 0.264 336 L C 0.472 177.564 176.870 0.369 0.000 1.061 336 L CA -1.206 53.849 54.840 0.357 0.000 0.799 336 L CB 0.990 43.212 42.059 0.271 0.000 1.240 336 L HN 0.402 nan 8.230 nan 0.000 0.461 337 R N 1.119 121.857 120.500 0.395 0.000 2.460 337 R HA 0.310 4.650 4.340 -0.000 0.000 0.303 337 R C -0.900 175.572 176.300 0.286 0.000 0.968 337 R CA -0.515 55.837 56.100 0.420 0.000 0.889 337 R CB 1.478 32.104 30.300 0.544 0.000 1.123 337 R HN 0.632 nan 8.270 nan 0.000 0.455 338 N N 1.972 120.808 118.700 0.227 0.000 2.421 338 N HA 0.247 4.987 4.740 -0.000 0.000 0.285 338 N C -1.347 174.277 175.510 0.190 0.000 1.027 338 N CA -0.317 52.771 53.050 0.065 0.000 0.918 338 N CB 0.782 39.316 38.487 0.079 0.000 1.152 338 N HN 0.260 nan 8.380 nan 0.000 0.485 339 F N 4.241 124.121 119.950 -0.116 0.000 2.467 339 F HA 0.500 5.027 4.527 -0.000 0.000 0.336 339 F C -1.038 174.719 175.800 -0.072 0.000 1.123 339 F CA -0.719 57.284 58.000 0.005 0.000 0.964 339 F CB 1.195 40.262 39.000 0.111 0.000 1.136 339 F HN 0.375 nan 8.300 nan 0.000 0.447 340 M N 6.946 126.142 119.600 -0.673 0.000 2.181 340 M HA 0.409 4.889 4.480 -0.000 0.000 0.323 340 M C -0.363 175.304 176.300 -1.055 0.000 1.004 340 M CA -0.509 54.411 55.300 -0.633 0.000 0.941 340 M CB 1.726 34.142 32.600 -0.308 0.000 1.579 340 M HN 0.502 nan 8.290 nan 0.000 0.427 341 R N 3.667 123.652 120.500 -0.859 0.000 2.357 341 R HA 0.741 5.081 4.340 -0.000 0.000 0.296 341 R C -1.508 174.602 176.300 -0.316 0.000 1.052 341 R CA -0.105 55.659 56.100 -0.560 0.000 0.988 341 R CB 0.733 30.884 30.300 -0.249 0.000 1.025 341 R HN 0.756 nan 8.270 nan 0.000 0.469 342 L N 3.130 124.213 121.223 -0.235 0.000 2.257 342 L HA 0.596 4.936 4.340 -0.000 0.000 0.257 342 L C -0.032 176.748 176.870 -0.150 0.000 1.033 342 L CA -1.352 53.383 54.840 -0.175 0.000 0.835 342 L CB 1.461 43.439 42.059 -0.134 0.000 1.398 342 L HN 0.587 nan 8.230 nan 0.000 0.429 343 R N 0.626 121.054 120.500 -0.120 0.000 2.457 343 R HA 0.869 5.209 4.340 -0.000 0.000 0.284 343 R C -0.409 175.869 176.300 -0.036 0.000 1.024 343 R CA -0.306 55.754 56.100 -0.066 0.000 1.025 343 R CB 1.264 31.550 30.300 -0.023 0.000 1.063 343 R HN 0.763 nan 8.270 nan 0.000 0.493 344 G N 0.944 109.742 108.800 -0.003 0.000 2.352 344 G HA2 0.059 4.019 3.960 -0.000 0.000 0.305 344 G HA3 0.059 4.019 3.960 -0.000 0.000 0.305 344 G C -1.985 172.937 174.900 0.038 0.000 1.537 344 G CA -0.991 44.121 45.100 0.019 0.000 0.959 344 G HN 0.591 nan 8.290 nan 0.000 0.668 345 Y N 0.844 121.110 120.300 -0.057 0.000 2.480 345 Y HA 0.542 5.092 4.550 -0.000 0.000 0.338 345 Y C 0.683 176.510 175.900 -0.123 0.000 1.220 345 Y CA 1.502 59.548 58.100 -0.089 0.000 1.430 345 Y CB 1.099 39.490 38.460 -0.115 0.000 1.311 345 Y HN 0.801 nan 8.280 nan 0.000 0.575 346 S N 3.296 118.328 115.700 -1.114 0.000 2.556 346 S HA 0.330 4.800 4.470 -0.000 0.000 0.271 346 S C -0.356 173.626 174.600 -1.030 0.000 1.135 346 S CA -0.778 56.968 58.200 -0.757 0.000 0.858 346 S CB 0.760 63.779 63.200 -0.303 0.000 1.114 346 S HN 0.847 nan 8.310 nan 0.000 0.468 347 H N 1.074 119.943 119.070 -0.335 0.000 2.592 347 H HA 0.295 4.851 4.556 -0.000 0.000 0.265 347 H C -0.075 175.207 175.328 -0.076 0.000 0.955 347 H CA 0.447 56.385 56.048 -0.183 0.000 1.175 347 H CB 0.482 30.200 29.762 -0.074 0.000 1.433 347 H HN 0.146 nan 8.280 nan 0.000 0.537 348 V N 2.624 122.565 119.914 0.044 0.000 2.357 348 V HA 0.017 4.137 4.120 -0.000 0.000 0.284 348 V C -0.039 176.056 176.094 0.001 0.000 1.018 348 V CA -1.007 61.326 62.300 0.055 0.000 0.841 348 V CB 2.144 34.063 31.823 0.160 0.000 0.991 348 V HN 0.126 nan 8.190 nan 0.000 0.437 349 D N 4.793 125.187 120.400 -0.010 0.000 2.349 349 D HA 0.081 4.721 4.640 -0.000 0.000 0.266 349 D C 0.931 177.258 176.300 0.044 0.000 1.293 349 D CA 0.235 54.254 54.000 0.031 0.000 0.926 349 D CB 0.545 41.373 40.800 0.046 0.000 1.090 349 D HN 0.462 nan 8.370 nan 0.000 0.502 350 R N 2.860 123.395 120.500 0.058 0.000 2.507 350 R HA 0.061 4.401 4.340 -0.000 0.000 0.298 350 R C 1.126 177.466 176.300 0.067 0.000 0.999 350 R CA -0.392 55.771 56.100 0.105 0.000 1.082 350 R CB 0.342 30.720 30.300 0.130 0.000 1.246 350 R HN 0.555 nan 8.270 nan 0.000 0.553 351 H N 0.688 119.772 119.070 0.024 0.000 2.521 351 H HA 0.038 4.594 4.556 -0.000 0.000 0.286 351 H C 1.755 177.069 175.328 -0.023 0.000 1.034 351 H CA 0.966 57.019 56.048 0.009 0.000 1.278 351 H CB 0.505 30.270 29.762 0.004 0.000 1.386 351 H HN 0.080 nan 8.280 nan 0.000 0.567 352 M N 0.174 119.775 119.600 0.002 0.000 2.202 352 M HA -0.124 4.356 4.480 -0.000 0.000 0.262 352 M C 0.439 176.628 176.300 -0.185 0.000 1.063 352 M CA 1.102 56.326 55.300 -0.127 0.000 1.097 352 M CB -0.805 31.642 32.600 -0.254 0.000 1.382 352 M HN 0.182 nan 8.290 nan 0.000 0.413 353 H N 1.179 120.254 119.070 0.009 0.000 2.782 353 H HA 0.247 4.803 4.556 -0.000 0.000 0.285 353 H C -2.025 173.242 175.328 -0.103 0.000 1.093 353 H CA -2.107 53.916 56.048 -0.041 0.000 1.410 353 H CB -0.229 29.492 29.762 -0.069 0.000 1.439 353 H HN 0.039 nan 8.280 nan 0.000 0.469 354 P HA -0.178 nan 4.420 nan 0.000 0.266 354 P C 0.566 177.828 177.300 -0.064 0.000 1.180 354 P CA 0.290 63.384 63.100 -0.011 0.000 0.765 354 P CB 0.834 32.540 31.700 0.009 0.000 0.806 355 D N 0.822 121.199 120.400 -0.038 0.000 2.506 355 D HA 0.075 4.715 4.640 -0.000 0.000 0.234 355 D C 0.291 176.567 176.300 -0.040 0.000 1.143 355 D CA 0.386 54.356 54.000 -0.050 0.000 0.871 355 D CB 0.564 41.366 40.800 0.004 0.000 1.190 355 D HN 0.314 nan 8.370 nan 0.000 0.459 356 A N 2.783 125.575 122.820 -0.046 0.000 2.520 356 A HA 0.390 4.710 4.320 -0.000 0.000 0.245 356 A C 0.209 177.825 177.584 0.053 0.000 1.072 356 A CA 0.125 52.151 52.037 -0.018 0.000 0.761 356 A CB 0.101 19.095 19.000 -0.010 0.000 1.004 356 A HN 0.521 nan 8.150 nan 0.000 0.499 357 S N 1.013 116.694 115.700 -0.031 0.000 2.638 357 S HA 0.551 5.021 4.470 -0.000 0.000 0.274 357 S C -0.434 174.105 174.600 -0.102 0.000 1.157 357 S CA -0.657 57.502 58.200 -0.067 0.000 0.826 357 S CB 0.950 64.135 63.200 -0.025 0.000 1.139 357 S HN 1.366 nan 8.310 nan 0.000 0.474 358 V N 1.829 121.668 119.914 -0.126 0.000 2.599 358 V HA 0.377 4.497 4.120 -0.000 0.000 0.300 358 V C -0.481 175.605 176.094 -0.012 0.000 1.034 358 V CA 0.936 63.177 62.300 -0.098 0.000 1.115 358 V CB 0.554 32.283 31.823 -0.157 0.000 0.934 358 V HN 1.028 nan 8.190 nan 0.000 0.485 359 T N 7.657 122.248 114.554 0.061 0.000 2.841 359 T HA 0.295 4.645 4.350 -0.000 0.000 0.285 359 T C -0.407 174.416 174.700 0.205 0.000 0.991 359 T CA -0.572 61.592 62.100 0.107 0.000 0.966 359 T CB 1.102 70.017 68.868 0.079 0.000 0.962 359 T HN 0.713 nan 8.240 nan 0.000 0.438 360 K N 3.436 123.963 120.400 0.211 0.000 2.284 360 K HA 0.453 4.773 4.320 -0.000 0.000 0.287 360 K C -0.321 176.254 176.600 -0.041 0.000 1.081 360 K CA -0.429 55.892 56.287 0.056 0.000 0.910 360 K CB 0.496 33.062 32.500 0.109 0.000 1.088 360 K HN 0.470 nan 8.250 nan 0.000 0.478 361 V N 4.692 124.425 119.914 -0.302 0.000 2.483 361 V HA 0.412 4.532 4.120 -0.000 0.000 0.295 361 V C -0.767 175.057 176.094 -0.451 0.000 1.035 361 V CA -0.643 61.441 62.300 -0.359 0.000 0.896 361 V CB 1.778 33.251 31.823 -0.584 0.000 0.986 361 V HN 0.438 nan 8.190 nan 0.000 0.447 362 V N 6.781 126.564 119.914 -0.219 0.000 2.364 362 V HA 0.302 4.422 4.120 -0.000 0.000 0.272 362 V C 1.313 177.335 176.094 -0.119 0.000 1.036 362 V CA 0.306 62.537 62.300 -0.115 0.000 0.880 362 V CB 0.432 32.263 31.823 0.012 0.000 0.991 362 V HN 1.083 nan 8.190 nan 0.000 0.460 363 S N 4.219 119.919 115.700 0.000 0.000 2.359 363 S HA -0.249 4.221 4.470 -0.000 0.000 0.222 363 S C 2.020 176.644 174.600 0.041 0.000 1.038 363 S CA 1.934 60.191 58.200 0.096 0.000 1.051 363 S CB -0.429 62.861 63.200 0.150 0.000 0.944 363 S HN 0.839 nan 8.310 nan 0.000 0.433 364 R N 1.187 121.707 120.500 0.032 0.000 2.153 364 R HA -0.229 4.111 4.340 -0.000 0.000 0.252 364 R C 1.084 177.408 176.300 0.040 0.000 1.158 364 R CA 2.119 58.239 56.100 0.035 0.000 0.975 364 R CB -0.513 29.803 30.300 0.028 0.000 0.871 364 R HN 0.362 nan 8.270 nan 0.000 0.450 365 D N -0.412 120.004 120.400 0.027 0.000 2.162 365 D HA -0.055 4.585 4.640 -0.000 0.000 0.205 365 D C 1.924 178.228 176.300 0.008 0.000 0.964 365 D CA 0.678 54.711 54.000 0.054 0.000 0.847 365 D CB -0.193 40.695 40.800 0.147 0.000 0.988 365 D HN 0.058 nan 8.370 nan 0.000 0.480 366 V N 0.879 120.719 119.914 -0.123 0.000 2.490 366 V HA -0.204 3.916 4.120 -0.000 0.000 0.250 366 V C 2.436 178.554 176.094 0.040 0.000 1.061 366 V CA 1.498 63.728 62.300 -0.116 0.000 1.064 366 V CB -0.237 31.494 31.823 -0.154 0.000 0.670 366 V HN 0.075 nan 8.190 nan 0.000 0.461 367 R N -0.769 119.784 120.500 0.088 0.000 2.148 367 R HA -0.054 4.286 4.340 -0.000 0.000 0.223 367 R C 2.381 178.768 176.300 0.145 0.000 1.088 367 R CA 0.719 56.939 56.100 0.201 0.000 0.985 367 R CB -0.062 30.332 30.300 0.157 0.000 0.880 367 R HN 0.248 nan 8.270 nan 0.000 0.451 368 K N 0.285 120.726 120.400 0.068 0.000 2.155 368 K HA -0.037 4.283 4.320 -0.000 0.000 0.203 368 K C 1.943 178.532 176.600 -0.019 0.000 1.052 368 K CA 1.096 57.398 56.287 0.026 0.000 0.948 368 K CB 0.031 32.552 32.500 0.034 0.000 0.728 368 K HN 0.223 nan 8.250 nan 0.000 0.448 369 M N 0.316 119.927 119.600 0.019 0.000 2.065 369 M HA -0.194 4.286 4.480 -0.000 0.000 0.259 369 M C 2.247 178.492 176.300 -0.091 0.000 1.071 369 M CA 1.442 56.788 55.300 0.076 0.000 1.109 369 M CB -0.672 31.997 32.600 0.116 0.000 1.313 369 M HN -0.153 nan 8.290 nan 0.000 0.408 370 V N 0.801 120.516 119.914 -0.331 0.000 2.250 370 V HA -0.332 3.788 4.120 -0.000 0.000 0.253 370 V C 2.103 177.932 176.094 -0.442 0.000 1.065 370 V CA 2.356 64.202 62.300 -0.757 0.000 1.039 370 V CB -1.027 30.284 31.823 -0.853 0.000 0.647 370 V HN 0.506 nan 8.190 nan 0.000 0.446 371 E N -0.210 119.825 120.200 -0.275 0.000 2.097 371 E HA -0.234 4.116 4.350 -0.000 0.000 0.196 371 E C 2.135 178.614 176.600 -0.202 0.000 1.000 371 E CA 1.649 57.950 56.400 -0.165 0.000 0.804 371 E CB -0.255 29.410 29.700 -0.058 0.000 0.740 371 E HN 0.544 nan 8.360 nan 0.000 0.454 372 L N -1.016 120.022 121.223 -0.308 0.000 2.095 372 L HA -0.115 4.225 4.340 -0.000 0.000 0.204 372 L C 1.750 178.267 176.870 -0.588 0.000 1.080 372 L CA 0.975 55.484 54.840 -0.552 0.000 0.759 372 L CB -0.092 41.412 42.059 -0.925 0.000 0.914 372 L HN 0.139 nan 8.230 nan 0.000 0.439 373 Y N -2.752 117.483 120.300 -0.109 0.000 2.498 373 Y HA 0.200 4.750 4.550 -0.000 0.000 0.259 373 Y C 1.083 177.042 175.900 0.098 0.000 1.086 373 Y CA -0.840 57.226 58.100 -0.057 0.000 1.287 373 Y CB -0.150 38.305 38.460 -0.007 0.000 1.146 373 Y HN 0.073 nan 8.280 nan 0.000 0.523 374 H N -0.103 118.981 119.070 0.023 0.000 2.551 374 H HA 0.531 5.087 4.556 -0.000 0.000 0.358 374 H C 0.183 175.491 175.328 -0.032 0.000 1.151 374 H CA 0.074 56.117 56.048 -0.009 0.000 1.374 374 H CB 1.131 30.852 29.762 -0.068 0.000 1.473 374 H HN 0.305 nan 8.280 nan 0.000 0.574 375 G N 1.529 110.368 108.800 0.065 0.000 2.341 375 G HA2 -0.058 3.902 3.960 -0.000 0.000 0.300 375 G HA3 -0.058 3.902 3.960 -0.000 0.000 0.300 375 G C -0.270 174.628 174.900 -0.003 0.000 1.706 375 G CA -0.817 44.297 45.100 0.022 0.000 0.916 375 G HN 0.514 nan 8.290 nan 0.000 0.716 376 R N 0.713 121.209 120.500 -0.007 0.000 2.346 376 R HA 0.092 4.432 4.340 -0.000 0.000 0.225 376 R C 0.250 176.543 176.300 -0.012 0.000 0.987 376 R CA 0.922 57.014 56.100 -0.014 0.000 1.106 376 R CB 0.059 30.353 30.300 -0.009 0.000 1.090 376 R HN 0.658 nan 8.270 nan 0.000 0.502 377 D N -1.527 118.868 120.400 -0.009 0.000 2.908 377 D HA 0.156 4.796 4.640 -0.000 0.000 0.361 377 D C -0.349 175.946 176.300 -0.008 0.000 1.416 377 D CA -0.388 53.605 54.000 -0.012 0.000 0.796 377 D CB 0.234 41.029 40.800 -0.009 0.000 1.185 377 D HN -0.110 nan 8.370 nan 0.000 0.451 378 R N -0.926 119.571 120.500 -0.004 0.000 2.604 378 R HA 0.616 4.956 4.340 -0.000 0.000 0.270 378 R C -0.027 176.285 176.300 0.020 0.000 1.052 378 R CA -0.398 55.713 56.100 0.019 0.000 0.902 378 R CB 2.284 32.608 30.300 0.039 0.000 1.233 378 R HN 0.146 nan 8.270 nan 0.000 0.455 379 G N 1.453 110.275 108.800 0.035 0.000 3.033 379 G HA2 -0.211 3.748 3.960 -0.000 0.000 0.208 379 G HA3 -0.211 3.748 3.960 -0.000 0.000 0.208 379 G C 0.802 175.693 174.900 -0.016 0.000 1.006 379 G CA 0.236 45.358 45.100 0.038 0.000 0.808 379 G HN 0.542 nan 8.290 nan 0.000 0.499 380 R N 0.226 120.647 120.500 -0.133 0.000 2.133 380 R HA -0.078 4.262 4.340 -0.000 0.000 0.245 380 R C 2.076 178.262 176.300 -0.190 0.000 1.137 380 R CA 2.732 58.676 56.100 -0.260 0.000 0.947 380 R CB -0.570 29.426 30.300 -0.506 0.000 0.865 380 R HN 0.452 nan 8.270 nan 0.000 0.437 381 F N -0.427 119.547 119.950 0.041 0.000 2.335 381 F HA -0.023 4.504 4.527 -0.000 0.000 0.296 381 F C 2.095 177.841 175.800 -0.089 0.000 1.091 381 F CA -0.014 57.966 58.000 -0.033 0.000 1.399 381 F CB -0.217 38.744 39.000 -0.066 0.000 1.067 381 F HN 0.112 nan 8.300 nan 0.000 0.520 382 L N 1.199 122.522 121.223 0.167 0.000 2.042 382 L HA -0.219 4.121 4.340 -0.000 0.000 0.210 382 L C 2.260 179.081 176.870 -0.083 0.000 1.076 382 L CA 1.887 56.755 54.840 0.047 0.000 0.749 382 L CB -0.732 41.412 42.059 0.141 0.000 0.893 382 L HN 0.023 nan 8.230 nan 0.000 0.432 383 K N -0.274 120.102 120.400 -0.040 0.000 2.026 383 K HA -0.257 4.063 4.320 -0.000 0.000 0.208 383 K C 2.305 178.904 176.600 -0.002 0.000 1.048 383 K CA 1.805 58.059 56.287 -0.056 0.000 0.929 383 K CB -0.232 32.276 32.500 0.013 0.000 0.713 383 K HN 0.363 nan 8.250 nan 0.000 0.439 384 K N 0.680 121.111 120.400 0.052 0.000 2.000 384 K HA -0.247 4.073 4.320 -0.000 0.000 0.218 384 K C 2.175 178.825 176.600 0.084 0.000 1.053 384 K CA 2.010 58.369 56.287 0.120 0.000 0.946 384 K CB -0.142 32.451 32.500 0.156 0.000 0.723 384 K HN 0.095 nan 8.250 nan 0.000 0.446 385 R N 0.366 120.849 120.500 -0.027 0.000 2.103 385 R HA -0.143 4.197 4.340 -0.000 0.000 0.242 385 R C 2.507 178.731 176.300 -0.126 0.000 1.142 385 R CA 1.897 57.935 56.100 -0.103 0.000 0.960 385 R CB -0.449 29.725 30.300 -0.209 0.000 0.858 385 R HN 0.275 nan 8.270 nan 0.000 0.439 386 L N -0.643 120.439 121.223 -0.236 0.000 2.012 386 L HA -0.217 4.123 4.340 -0.000 0.000 0.210 386 L C 2.313 179.101 176.870 -0.137 0.000 1.073 386 L CA 1.143 55.734 54.840 -0.415 0.000 0.748 386 L CB -0.493 40.978 42.059 -0.981 0.000 0.891 386 L HN 0.137 nan 8.230 nan 0.000 0.431 387 F N 1.177 121.061 119.950 -0.111 0.000 2.095 387 F HA -0.252 4.274 4.527 -0.000 0.000 0.298 387 F C 2.410 178.223 175.800 0.022 0.000 1.104 387 F CA 1.909 59.952 58.000 0.072 0.000 1.232 387 F CB -0.275 38.786 39.000 0.101 0.000 0.987 387 F HN 0.140 nan 8.300 nan 0.000 0.475 388 E N -1.446 118.718 120.200 -0.059 0.000 2.028 388 E HA -0.247 4.103 4.350 -0.000 0.000 0.191 388 E C 2.289 178.801 176.600 -0.146 0.000 0.988 388 E CA 1.209 57.502 56.400 -0.179 0.000 0.799 388 E CB -0.846 28.819 29.700 -0.057 0.000 0.755 388 E HN 0.554 nan 8.360 nan 0.000 0.447 389 H N 1.254 120.219 119.070 -0.176 0.000 2.353 389 H HA -0.130 4.426 4.556 -0.000 0.000 0.298 389 H C 2.225 177.451 175.328 -0.170 0.000 1.103 389 H CA 1.354 57.335 56.048 -0.112 0.000 1.293 389 H CB 0.041 29.732 29.762 -0.119 0.000 1.372 389 H HN 0.116 nan 8.280 nan 0.000 0.501 390 L N -0.469 120.510 121.223 -0.405 0.000 2.056 390 L HA -0.178 4.162 4.340 -0.000 0.000 0.207 390 L C 1.854 178.328 176.870 -0.659 0.000 1.078 390 L CA 1.159 55.538 54.840 -0.769 0.000 0.749 390 L CB -0.307 41.165 42.059 -0.978 0.000 0.901 390 L HN 0.433 nan 8.230 nan 0.000 0.433 391 H N -1.504 117.356 119.070 -0.350 0.000 2.755 391 H HA 0.388 4.944 4.556 -0.000 0.000 0.273 391 H C 0.317 175.381 175.328 -0.439 0.000 1.055 391 H CA -0.087 55.706 56.048 -0.426 0.000 1.191 391 H CB 1.071 30.308 29.762 -0.876 0.000 1.536 391 H HN 0.185 nan 8.280 nan 0.000 0.529 392 I N 1.864 122.281 120.570 -0.256 0.000 2.377 392 I HA 0.138 4.308 4.170 -0.000 0.000 0.293 392 I C 0.157 176.164 176.117 -0.185 0.000 0.987 392 I CA -0.856 60.301 61.300 -0.238 0.000 1.185 392 I CB 2.556 40.432 38.000 -0.207 0.000 1.341 392 I HN -0.274 nan 8.210 nan 0.000 0.455 393 V N 6.700 126.448 119.914 -0.276 0.000 2.572 393 V HA 0.084 4.204 4.120 -0.000 0.000 0.291 393 V C 0.969 176.995 176.094 -0.114 0.000 1.039 393 V CA -0.271 61.884 62.300 -0.241 0.000 1.055 393 V CB 0.741 32.292 31.823 -0.453 0.000 0.969 393 V HN 0.672 nan 8.190 nan 0.000 0.482 394 R N 3.478 123.935 120.500 -0.072 0.000 3.701 394 R HA 0.245 4.585 4.340 -0.000 0.000 0.210 394 R C -0.304 176.022 176.300 0.043 0.000 1.598 394 R CA -0.275 55.810 56.100 -0.024 0.000 1.427 394 R CB -0.158 30.108 30.300 -0.055 0.000 1.339 394 R HN 0.542 nan 8.270 nan 0.000 0.720 395 K N 0.861 121.318 120.400 0.096 0.000 2.259 395 K HA 0.233 4.553 4.320 -0.000 0.000 0.252 395 K C -0.909 175.744 176.600 0.088 0.000 0.936 395 K CA -0.817 55.537 56.287 0.111 0.000 0.810 395 K CB 1.232 33.806 32.500 0.123 0.000 1.143 395 K HN 0.081 nan 8.250 nan 0.000 0.427 396 N N 2.070 120.836 118.700 0.110 0.000 2.414 396 N HA 0.196 4.936 4.740 -0.000 0.000 0.256 396 N C 0.864 176.475 175.510 0.169 0.000 1.029 396 N CA 0.212 53.336 53.050 0.122 0.000 0.948 396 N CB 1.415 39.966 38.487 0.107 0.000 1.102 396 N HN 0.760 nan 8.380 nan 0.000 0.496 397 G N 3.623 112.541 108.800 0.196 0.000 2.553 397 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.218 397 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.218 397 G C 1.389 176.364 174.900 0.124 0.000 1.195 397 G CA 0.820 46.043 45.100 0.204 0.000 0.779 397 G HN 0.639 nan 8.290 nan 0.000 0.577 398 L N -0.228 121.087 121.223 0.154 0.000 2.191 398 L HA 0.026 4.366 4.340 -0.000 0.000 0.212 398 L C 2.587 179.490 176.870 0.055 0.000 1.103 398 L CA 0.528 55.419 54.840 0.084 0.000 0.769 398 L CB -0.309 41.801 42.059 0.086 0.000 0.908 398 L HN 0.203 nan 8.230 nan 0.000 0.438 399 L N -2.244 119.026 121.223 0.079 0.000 2.513 399 L HA 0.089 4.429 4.340 -0.000 0.000 0.222 399 L C 1.225 178.127 176.870 0.053 0.000 1.096 399 L CA -0.174 54.700 54.840 0.058 0.000 0.857 399 L CB -0.246 41.853 42.059 0.067 0.000 1.026 399 L HN 0.217 nan 8.230 nan 0.000 0.469 400 H N 2.140 121.199 119.070 -0.019 0.000 2.690 400 H HA 0.209 4.765 4.556 -0.000 0.000 0.314 400 H C -0.728 174.553 175.328 -0.078 0.000 1.069 400 H CA 0.130 56.154 56.048 -0.039 0.000 1.436 400 H CB 0.844 30.594 29.762 -0.020 0.000 1.462 400 H HN 0.161 nan 8.280 nan 0.000 0.511 401 E N 2.934 122.758 120.200 -0.627 0.000 2.166 401 E HA 0.235 4.585 4.350 -0.000 0.000 0.275 401 E C -0.962 175.265 176.600 -0.621 0.000 0.941 401 E CA -0.795 55.333 56.400 -0.452 0.000 0.784 401 E CB 1.131 30.684 29.700 -0.245 0.000 1.115 401 E HN 0.673 nan 8.360 nan 0.000 0.399 402 S N 2.438 117.962 115.700 -0.293 0.000 2.500 402 S HA 0.312 4.782 4.470 -0.000 0.000 0.301 402 S C -0.088 174.486 174.600 -0.043 0.000 1.092 402 S CA -0.909 57.230 58.200 -0.101 0.000 1.030 402 S CB 1.606 64.836 63.200 0.052 0.000 1.031 402 S HN 0.443 nan 8.310 nan 0.000 0.483 403 D N 0.946 121.348 120.400 0.003 0.000 2.348 403 D HA 0.110 4.750 4.640 -0.000 0.000 0.211 403 D C 0.205 176.515 176.300 0.017 0.000 0.998 403 D CA 0.746 54.749 54.000 0.005 0.000 0.873 403 D CB 0.361 41.170 40.800 0.016 0.000 0.925 403 D HN 0.603 nan 8.370 nan 0.000 0.524 404 E N 0.994 121.216 120.200 0.037 0.000 2.281 404 E HA 0.344 4.694 4.350 -0.000 0.000 0.262 404 E C -2.409 174.199 176.600 0.014 0.000 0.933 404 E CA -2.012 54.408 56.400 0.033 0.000 0.809 404 E CB 1.479 31.216 29.700 0.062 0.000 1.242 404 E HN -0.077 nan 8.360 nan 0.000 0.418 405 P HA 0.091 nan 4.420 nan 0.000 0.268 405 P C -0.609 176.655 177.300 -0.060 0.000 1.205 405 P CA 0.084 63.159 63.100 -0.040 0.000 0.771 405 P CB 0.477 32.144 31.700 -0.054 0.000 0.858 406 R N 1.124 121.569 120.500 -0.091 0.000 2.686 406 R HA 0.848 5.188 4.340 -0.000 0.000 0.283 406 R C -1.306 174.877 176.300 -0.195 0.000 0.978 406 R CA -1.150 54.884 56.100 -0.110 0.000 0.897 406 R CB 1.703 31.964 30.300 -0.065 0.000 1.192 406 R HN 0.372 nan 8.270 nan 0.000 0.457 407 A N 1.659 124.278 122.820 -0.334 0.000 2.337 407 A HA 0.540 4.860 4.320 -0.000 0.000 0.329 407 A C -1.124 176.385 177.584 -0.125 0.000 1.146 407 A CA -0.759 51.047 52.037 -0.384 0.000 0.800 407 A CB 1.171 19.623 19.000 -0.913 0.000 1.220 407 A HN 0.882 nan 8.150 nan 0.000 0.472 408 D N 1.510 121.903 120.400 -0.010 0.000 2.849 408 D HA 0.334 4.974 4.640 -0.000 0.000 0.314 408 D C -0.933 175.498 176.300 0.219 0.000 1.210 408 D CA 0.093 54.242 54.000 0.248 0.000 0.756 408 D CB 0.510 41.401 40.800 0.151 0.000 1.222 408 D HN 0.405 nan 8.370 nan 0.000 0.521 409 L N 0.746 122.091 121.223 0.204 0.000 2.307 409 L HA 0.482 4.822 4.340 -0.000 0.000 0.282 409 L C 0.045 177.039 176.870 0.208 0.000 1.051 409 L CA -0.890 53.901 54.840 -0.081 0.000 0.804 409 L CB 0.342 42.286 42.059 -0.192 0.000 1.197 409 L HN 0.327 nan 8.230 nan 0.000 0.431 410 F N 3.676 123.790 119.950 0.273 0.000 2.891 410 F HA -0.312 4.215 4.527 -0.000 0.000 0.272 410 F C 0.495 176.535 175.800 0.399 0.000 1.004 410 F CA 0.858 59.059 58.000 0.336 0.000 0.938 410 F CB -1.789 37.408 39.000 0.329 0.000 0.939 410 F HN 0.665 nan 8.300 nan 0.000 0.833 411 Y N -4.262 116.205 120.300 0.279 0.000 2.551 411 Y HA 0.299 4.849 4.550 -0.000 0.000 0.297 411 Y C 0.982 176.964 175.900 0.136 0.000 0.968 411 Y CA -0.428 57.788 58.100 0.194 0.000 1.039 411 Y CB -0.762 37.796 38.460 0.164 0.000 1.418 411 Y HN 0.009 nan 8.280 nan 0.000 0.589 412 L N 2.327 123.221 121.223 -0.549 0.000 2.046 412 L HA -0.027 4.313 4.340 -0.000 0.000 0.208 412 L C 1.708 178.430 176.870 -0.247 0.000 1.077 412 L CA 2.853 57.304 54.840 -0.650 0.000 0.747 412 L CB -0.986 40.738 42.059 -0.559 0.000 0.896 412 L HN 0.609 nan 8.230 nan 0.000 0.432 413 T N -2.989 111.454 114.554 -0.184 0.000 3.287 413 T HA 0.190 4.540 4.350 -0.000 0.000 0.253 413 T C 0.562 175.192 174.700 -0.118 0.000 0.975 413 T CA -0.506 61.379 62.100 -0.359 0.000 0.912 413 T CB -1.090 67.478 68.868 -0.500 0.000 1.071 413 T HN 0.278 nan 8.240 nan 0.000 0.578 414 N N 1.316 120.077 118.700 0.103 0.000 2.444 414 N HA 0.208 4.948 4.740 -0.000 0.000 0.255 414 N C 1.297 176.991 175.510 0.307 0.000 1.255 414 N CA -0.706 52.433 53.050 0.149 0.000 0.933 414 N CB 0.922 39.482 38.487 0.122 0.000 1.143 414 N HN 0.140 nan 8.380 nan 0.000 0.453 415 R N 0.909 121.523 120.500 0.189 0.000 2.127 415 R HA -0.173 4.167 4.340 -0.000 0.000 0.238 415 R C 2.225 178.558 176.300 0.055 0.000 1.134 415 R CA 1.714 57.888 56.100 0.124 0.000 0.975 415 R CB -0.537 29.780 30.300 0.028 0.000 0.865 415 R HN 0.887 nan 8.270 nan 0.000 0.447 416 C N -0.035 119.309 119.300 0.074 0.000 2.397 416 C HA -0.020 4.440 4.460 -0.000 0.000 0.286 416 C C 1.476 176.503 174.990 0.062 0.000 1.308 416 C CA 0.665 59.717 59.018 0.057 0.000 1.805 416 C CB -1.045 26.739 27.740 0.074 0.000 1.952 416 C HN 0.432 nan 8.230 nan 0.000 0.518 417 N N -0.346 118.427 118.700 0.120 0.000 2.236 417 N HA 0.235 4.975 4.740 -0.000 0.000 0.196 417 N C 0.343 175.890 175.510 0.062 0.000 1.114 417 N CA 0.002 53.138 53.050 0.144 0.000 0.859 417 N CB -0.220 38.412 38.487 0.241 0.000 0.982 417 N HN 0.650 nan 8.380 nan 0.000 0.493 418 M N 0.007 119.497 119.600 -0.183 0.000 2.251 418 M HA 0.115 4.595 4.480 -0.000 0.000 0.343 418 M C 1.094 177.250 176.300 -0.239 0.000 1.245 418 M CA 1.025 55.990 55.300 -0.559 0.000 1.061 418 M CB 0.321 32.507 32.600 -0.689 0.000 1.723 418 M HN 0.458 nan 8.290 nan 0.000 0.449 419 G N 3.645 112.333 108.800 -0.186 0.000 2.179 419 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.260 419 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.260 419 G C 0.089 174.997 174.900 0.015 0.000 0.977 419 G CA 0.350 45.416 45.100 -0.057 0.000 0.641 419 G HN 0.654 nan 8.290 nan 0.000 0.533 420 L N 0.315 121.565 121.223 0.044 0.000 3.094 420 L HA 0.434 4.774 4.340 -0.000 0.000 0.254 420 L C 1.658 178.581 176.870 0.090 0.000 1.298 420 L CA -0.305 54.575 54.840 0.066 0.000 1.050 420 L CB 0.583 42.677 42.059 0.058 0.000 1.420 420 L HN 0.078 nan 8.230 nan 0.000 0.548 421 E N 0.731 121.006 120.200 0.124 0.000 2.038 421 E HA -0.184 4.166 4.350 -0.000 0.000 0.195 421 E C -0.658 176.042 176.600 0.167 0.000 1.000 421 E CA 1.575 58.047 56.400 0.120 0.000 0.803 421 E CB -0.991 28.864 29.700 0.259 0.000 0.750 421 E HN 0.331 nan 8.360 nan 0.000 0.448 422 P HA -0.294 nan 4.420 nan 0.000 0.218 422 P C 1.457 178.840 177.300 0.139 0.000 1.165 422 P CA 2.501 65.725 63.100 0.207 0.000 0.922 422 P CB -0.259 31.516 31.700 0.125 0.000 0.794 423 S N -1.290 114.456 115.700 0.076 0.000 2.400 423 S HA -0.159 4.311 4.470 -0.000 0.000 0.232 423 S C 1.988 176.590 174.600 0.004 0.000 1.025 423 S CA 1.169 59.392 58.200 0.040 0.000 0.993 423 S CB -1.613 61.608 63.200 0.036 0.000 0.808 423 S HN 0.075 nan 8.310 nan 0.000 0.478 424 I N 0.555 121.097 120.570 -0.046 0.000 2.072 424 I HA -0.209 3.961 4.170 -0.000 0.000 0.235 424 I C 2.459 178.478 176.117 -0.163 0.000 1.058 424 I CA 1.914 63.109 61.300 -0.175 0.000 1.320 424 I CB -0.839 36.955 38.000 -0.343 0.000 1.047 424 I HN 0.221 nan 8.210 nan 0.000 0.397 425 Y N 0.975 121.290 120.300 0.026 0.000 2.132 425 Y HA -0.361 4.189 4.550 -0.000 0.000 0.280 425 Y C 2.660 178.567 175.900 0.011 0.000 1.193 425 Y CA 1.823 59.949 58.100 0.044 0.000 1.157 425 Y CB -0.532 37.976 38.460 0.081 0.000 0.966 425 Y HN 0.240 nan 8.280 nan 0.000 0.511 426 E N 0.394 120.670 120.200 0.127 0.000 2.097 426 E HA -0.180 4.170 4.350 -0.000 0.000 0.196 426 E C 2.012 178.598 176.600 -0.023 0.000 1.000 426 E CA 1.692 58.110 56.400 0.031 0.000 0.804 426 E CB -0.401 29.310 29.700 0.019 0.000 0.740 426 E HN 0.271 nan 8.360 nan 0.000 0.454 427 V N 0.380 120.276 119.914 -0.030 0.000 2.307 427 V HA -0.229 3.891 4.120 -0.000 0.000 0.245 427 V C 2.326 178.389 176.094 -0.051 0.000 1.045 427 V CA 2.085 64.350 62.300 -0.059 0.000 1.024 427 V CB -0.526 31.250 31.823 -0.078 0.000 0.651 427 V HN 0.343 nan 8.190 nan 0.000 0.449 428 M N -0.420 119.166 119.600 -0.024 0.000 2.686 428 M HA -0.078 4.402 4.480 -0.000 0.000 0.246 428 M C 2.059 178.379 176.300 0.034 0.000 1.096 428 M CA 1.074 56.383 55.300 0.015 0.000 1.076 428 M CB -0.380 32.251 32.600 0.052 0.000 1.504 428 M HN 0.256 nan 8.290 nan 0.000 0.524 429 K N 1.752 122.125 120.400 -0.046 0.000 2.167 429 K HA -0.104 4.216 4.320 -0.000 0.000 0.203 429 K C 0.796 177.295 176.600 -0.168 0.000 1.052 429 K CA 1.044 57.191 56.287 -0.232 0.000 0.956 429 K CB 0.341 32.599 32.500 -0.404 0.000 0.735 429 K HN 0.333 nan 8.250 nan 0.000 0.451 430 K N -1.059 119.279 120.400 -0.104 0.000 2.589 430 K HA 0.198 4.518 4.320 -0.000 0.000 0.198 430 K C -0.135 176.428 176.600 -0.063 0.000 1.114 430 K CA -0.320 55.916 56.287 -0.085 0.000 1.070 430 K CB 1.264 33.708 32.500 -0.094 0.000 0.860 430 K HN -0.178 nan 8.250 nan 0.000 0.536 431 S N 0.164 115.833 115.700 -0.053 0.000 2.586 431 S HA 0.227 4.697 4.470 -0.000 0.000 0.274 431 S C 1.293 175.874 174.600 -0.032 0.000 1.281 431 S CA -0.759 57.408 58.200 -0.055 0.000 1.035 431 S CB 1.158 64.324 63.200 -0.057 0.000 0.962 431 S HN 0.081 nan 8.310 nan 0.000 0.512 432 V N 4.126 124.013 119.914 -0.045 0.000 2.295 432 V HA 0.109 4.229 4.120 -0.000 0.000 0.246 432 V C 0.912 177.045 176.094 0.065 0.000 1.049 432 V CA 1.569 63.866 62.300 -0.005 0.000 1.024 432 V CB -0.315 31.466 31.823 -0.071 0.000 0.648 432 V HN 0.768 nan 8.190 nan 0.000 0.447 433 I N -1.045 119.535 120.570 0.016 0.000 2.649 433 I HA 0.624 4.794 4.170 -0.000 0.000 0.289 433 I C -0.903 175.176 176.117 -0.063 0.000 1.222 433 I CA -0.320 60.990 61.300 0.017 0.000 1.046 433 I CB 1.607 39.680 38.000 0.122 0.000 1.272 433 I HN 0.117 nan 8.210 nan 0.000 0.425 434 A N 4.038 126.809 122.820 -0.082 0.000 2.552 434 A HA 0.980 5.300 4.320 -0.000 0.000 0.288 434 A C -0.863 176.631 177.584 -0.151 0.000 1.193 434 A CA -0.308 51.656 52.037 -0.121 0.000 0.713 434 A CB 2.020 20.962 19.000 -0.098 0.000 1.305 434 A HN 0.662 nan 8.150 nan 0.000 0.424 435 T N -2.520 111.929 114.554 -0.175 0.000 2.916 435 T HA 0.797 5.147 4.350 -0.000 0.000 0.305 435 T C -0.725 173.982 174.700 0.013 0.000 1.119 435 T CA -0.008 62.039 62.100 -0.089 0.000 1.008 435 T CB 1.612 70.365 68.868 -0.193 0.000 1.129 435 T HN 2.135 nan 8.240 nan 0.000 0.480 436 A N 2.326 125.204 122.820 0.096 0.000 2.357 436 A HA 0.564 4.884 4.320 -0.000 0.000 0.295 436 A C -0.629 176.977 177.584 0.037 0.000 1.121 436 A CA -0.818 51.235 52.037 0.026 0.000 0.742 436 A CB 0.879 19.824 19.000 -0.092 0.000 1.181 436 A HN 0.918 nan 8.150 nan 0.000 0.454 437 W N 4.460 125.650 121.300 -0.182 0.000 2.417 437 W HA 0.267 4.927 4.660 -0.000 0.000 0.332 437 W C 0.081 176.388 176.519 -0.352 0.000 1.413 437 W CA 1.251 58.340 57.345 -0.428 0.000 1.299 437 W CB 1.084 30.330 29.460 -0.358 0.000 1.304 437 W HN 0.739 nan 8.180 nan 0.000 0.565 438 V N 3.690 123.055 119.914 -0.916 0.000 3.502 438 V HA 0.338 4.458 4.120 -0.000 0.000 0.288 438 V C 0.969 176.636 176.094 -0.712 0.000 1.461 438 V CA 0.423 62.369 62.300 -0.590 0.000 1.029 438 V CB -0.397 31.190 31.823 -0.394 0.000 0.843 438 V HN 0.557 nan 8.190 nan 0.000 0.438 439 G N 1.085 109.059 108.800 -1.377 0.000 2.305 439 G HA2 0.277 4.237 3.960 -0.000 0.000 0.243 439 G HA3 0.277 4.237 3.960 -0.000 0.000 0.243 439 G C 0.544 175.309 174.900 -0.224 0.000 1.288 439 G CA -0.243 44.324 45.100 -0.888 0.000 0.901 439 G HN 0.454 nan 8.290 nan 0.000 0.516 440 R N 1.826 122.235 120.500 -0.151 0.000 2.397 440 R HA 0.264 4.604 4.340 -0.000 0.000 0.241 440 R C 1.315 177.604 176.300 -0.018 0.000 0.914 440 R CA 0.111 56.184 56.100 -0.045 0.000 1.071 440 R CB 0.611 30.865 30.300 -0.077 0.000 1.116 440 R HN 0.559 nan 8.270 nan 0.000 0.524 441 A N 2.005 124.813 122.820 -0.019 0.000 2.275 441 A HA 0.311 4.631 4.320 -0.000 0.000 0.282 441 A C -1.546 175.994 177.584 -0.074 0.000 1.275 441 A CA -0.971 51.045 52.037 -0.034 0.000 0.842 441 A CB -0.259 18.726 19.000 -0.025 0.000 1.280 441 A HN -0.112 nan 8.150 nan 0.000 0.508 442 P HA 0.069 nan 4.420 nan 0.000 0.228 442 P C -0.249 176.840 177.300 -0.351 0.000 1.151 442 P CA 0.967 63.889 63.100 -0.297 0.000 0.770 442 P CB 0.098 31.613 31.700 -0.309 0.000 0.786 443 L N -0.537 120.457 121.223 -0.381 0.000 2.441 443 L HA 0.381 4.721 4.340 -0.000 0.000 0.270 443 L C -0.815 175.864 176.870 -0.319 0.000 0.973 443 L CA -1.252 53.270 54.840 -0.530 0.000 0.842 443 L CB 1.238 43.287 42.059 -0.017 0.000 1.239 443 L HN -0.131 nan 8.230 nan 0.000 0.406 444 Y N 1.437 121.814 120.300 0.128 0.000 2.374 444 Y HA 0.354 4.904 4.550 -0.000 0.000 0.322 444 Y C 0.967 176.934 175.900 0.112 0.000 1.275 444 Y CA -0.834 57.319 58.100 0.088 0.000 1.307 444 Y CB 0.393 38.889 38.460 0.060 0.000 1.282 444 Y HN 0.636 nan 8.280 nan 0.000 0.509 445 D N -1.369 119.183 120.400 0.253 0.000 3.006 445 D HA -0.283 4.357 4.640 -0.000 0.000 0.208 445 D C -1.437 175.016 176.300 0.254 0.000 1.116 445 D CA 1.552 55.667 54.000 0.191 0.000 0.998 445 D CB -1.234 39.661 40.800 0.158 0.000 1.124 445 D HN 0.563 nan 8.370 nan 0.000 0.413 446 Y N -0.237 120.054 120.300 -0.016 0.000 2.457 446 Y HA 0.383 4.933 4.550 -0.000 0.000 0.343 446 Y C -0.416 175.344 175.900 -0.233 0.000 0.994 446 Y CA -1.107 56.907 58.100 -0.142 0.000 1.031 446 Y CB 1.803 40.101 38.460 -0.270 0.000 1.246 446 Y HN -0.211 nan 8.280 nan 0.000 0.449 447 D N 2.987 123.135 120.400 -0.420 0.000 2.891 447 D HA 0.135 4.775 4.640 -0.000 0.000 0.332 447 D C -1.144 175.007 176.300 -0.248 0.000 1.369 447 D CA 0.033 53.875 54.000 -0.264 0.000 0.827 447 D CB 0.340 41.027 40.800 -0.187 0.000 1.141 447 D HN 0.594 nan 8.370 nan 0.000 0.464 448 D N 0.119 120.311 120.400 -0.346 0.000 2.387 448 D HA 0.332 4.972 4.640 -0.000 0.000 0.255 448 D C 0.205 176.458 176.300 -0.079 0.000 1.081 448 D CA -0.275 53.606 54.000 -0.199 0.000 0.994 448 D CB 0.968 41.630 40.800 -0.230 0.000 1.127 448 D HN 0.177 nan 8.370 nan 0.000 0.513 449 F N -1.069 118.861 119.950 -0.033 0.000 2.541 449 F HA 0.814 5.341 4.527 -0.000 0.000 0.331 449 F C -0.298 175.643 175.800 0.236 0.000 1.057 449 F CA -1.506 56.533 58.000 0.065 0.000 0.975 449 F CB 0.919 39.940 39.000 0.034 0.000 1.246 449 F HN 0.220 nan 8.300 nan 0.000 0.484 450 A N 2.834 125.821 122.820 0.278 0.000 2.309 450 A HA 0.635 4.955 4.320 -0.000 0.000 0.298 450 A C -0.777 176.841 177.584 0.058 0.000 1.165 450 A CA -0.762 51.356 52.037 0.136 0.000 0.821 450 A CB 0.468 19.529 19.000 0.103 0.000 1.102 450 A HN 0.856 nan 8.150 nan 0.000 0.500 451 L N 3.510 124.705 121.223 -0.046 0.000 2.305 451 L HA 0.300 4.640 4.340 -0.000 0.000 0.281 451 L C -2.034 174.859 176.870 0.038 0.000 1.085 451 L CA -1.857 53.004 54.840 0.035 0.000 0.813 451 L CB 1.250 43.314 42.059 0.009 0.000 1.157 451 L HN 0.473 nan 8.230 nan 0.000 0.436 452 P HA 0.023 nan 4.420 nan 0.000 0.265 452 P C 0.197 177.516 177.300 0.030 0.000 1.187 452 P CA 0.189 63.317 63.100 0.047 0.000 0.766 452 P CB 0.597 32.341 31.700 0.074 0.000 0.820 453 R N 1.757 122.246 120.500 -0.018 0.000 2.066 453 R HA -0.119 4.221 4.340 -0.000 0.000 0.232 453 R C 2.417 178.700 176.300 -0.028 0.000 1.131 453 R CA 2.052 58.129 56.100 -0.038 0.000 0.955 453 R CB -0.740 29.512 30.300 -0.079 0.000 0.851 453 R HN 0.657 nan 8.270 nan 0.000 0.432 454 S N 0.376 116.058 115.700 -0.030 0.000 2.380 454 S HA -0.251 4.219 4.470 -0.000 0.000 0.229 454 S C 2.010 176.598 174.600 -0.020 0.000 1.050 454 S CA 2.225 60.392 58.200 -0.056 0.000 1.100 454 S CB -1.156 62.072 63.200 0.047 0.000 0.984 454 S HN 0.274 nan 8.310 nan 0.000 0.434 455 T N 2.376 116.953 114.554 0.037 0.000 2.720 455 T HA -0.066 4.284 4.350 -0.000 0.000 0.268 455 T C 1.951 176.655 174.700 0.007 0.000 1.037 455 T CA 1.487 63.597 62.100 0.017 0.000 1.144 455 T CB -0.809 68.091 68.868 0.054 0.000 0.864 455 T HN 0.329 nan 8.240 nan 0.000 0.444 456 V N 1.453 121.436 119.914 0.115 0.000 2.233 456 V HA -0.235 3.885 4.120 -0.000 0.000 0.247 456 V C 2.526 178.677 176.094 0.095 0.000 1.050 456 V CA 1.880 64.296 62.300 0.194 0.000 1.010 456 V CB -0.685 31.222 31.823 0.140 0.000 0.637 456 V HN 0.438 nan 8.190 nan 0.000 0.444 457 M N -0.749 118.858 119.600 0.012 0.000 2.073 457 M HA -0.250 4.230 4.480 -0.000 0.000 0.258 457 M C 2.215 178.507 176.300 -0.014 0.000 1.070 457 M CA 2.153 57.425 55.300 -0.047 0.000 1.103 457 M CB -0.511 31.996 32.600 -0.155 0.000 1.321 457 M HN 0.270 nan 8.290 nan 0.000 0.405 458 L N -0.305 120.916 121.223 -0.004 0.000 2.056 458 L HA -0.229 4.111 4.340 -0.000 0.000 0.207 458 L C 2.068 179.059 176.870 0.202 0.000 1.078 458 L CA 1.017 55.959 54.840 0.169 0.000 0.749 458 L CB -0.701 41.413 42.059 0.091 0.000 0.901 458 L HN 0.320 nan 8.230 nan 0.000 0.433 459 N N -0.172 118.534 118.700 0.011 0.000 2.300 459 N HA -0.063 4.677 4.740 -0.000 0.000 0.179 459 N C 1.781 177.338 175.510 0.078 0.000 1.016 459 N CA 1.327 54.330 53.050 -0.078 0.000 0.876 459 N CB -0.282 37.923 38.487 -0.470 0.000 0.979 459 N HN 0.306 nan 8.380 nan 0.000 0.432 460 G N -1.064 107.838 108.800 0.171 0.000 2.683 460 G HA2 -0.034 3.926 3.960 -0.000 0.000 0.213 460 G HA3 -0.034 3.926 3.960 -0.000 0.000 0.213 460 G C 0.347 175.417 174.900 0.282 0.000 1.142 460 G CA -0.048 45.241 45.100 0.316 0.000 0.793 460 G HN 0.213 nan 8.290 nan 0.000 0.534 461 S N 0.522 116.317 115.700 0.158 0.000 2.409 461 S HA 0.590 5.060 4.470 -0.000 0.000 0.308 461 S C -0.935 173.773 174.600 0.181 0.000 1.080 461 S CA -0.714 57.673 58.200 0.312 0.000 1.081 461 S CB -0.139 63.330 63.200 0.448 0.000 1.009 461 S HN 0.234 nan 8.310 nan 0.000 0.502 462 Y N 2.346 122.885 120.300 0.399 0.000 2.631 462 Y HA 0.488 5.038 4.550 -0.000 0.000 0.328 462 Y C 1.612 177.727 175.900 0.358 0.000 1.118 462 Y CA -1.201 57.113 58.100 0.356 0.000 1.206 462 Y CB 0.630 39.192 38.460 0.169 0.000 1.337 462 Y HN 0.458 nan 8.280 nan 0.000 0.515 463 R N 0.176 120.932 120.500 0.426 0.000 2.143 463 R HA -0.223 4.117 4.340 -0.000 0.000 0.239 463 R C 0.750 177.016 176.300 -0.057 0.000 1.126 463 R CA 2.442 58.525 56.100 -0.029 0.000 0.927 463 R CB -0.319 30.018 30.300 0.062 0.000 0.860 463 R HN 0.739 nan 8.270 nan 0.000 0.433 464 D N -0.545 119.892 120.400 0.062 0.000 2.378 464 D HA 0.017 4.657 4.640 -0.000 0.000 0.227 464 D C -0.108 176.236 176.300 0.074 0.000 1.012 464 D CA 0.754 54.778 54.000 0.040 0.000 0.905 464 D CB 0.173 40.996 40.800 0.039 0.000 0.895 464 D HN 0.100 nan 8.370 nan 0.000 0.532 465 I N 0.504 121.171 120.570 0.161 0.000 2.406 465 I HA 0.319 4.489 4.170 -0.000 0.000 0.290 465 I C 0.133 176.349 176.117 0.164 0.000 0.999 465 I CA -0.834 60.571 61.300 0.175 0.000 1.124 465 I CB 1.710 39.871 38.000 0.267 0.000 1.289 465 I HN -0.348 nan 8.210 nan 0.000 0.441 466 R N 4.783 125.323 120.500 0.068 0.000 2.278 466 R HA 0.427 4.767 4.340 -0.000 0.000 0.322 466 R C -0.654 175.660 176.300 0.023 0.000 1.058 466 R CA -0.480 55.631 56.100 0.019 0.000 0.991 466 R CB 0.340 30.533 30.300 -0.179 0.000 1.140 466 R HN 0.572 nan 8.270 nan 0.000 0.518 467 I N 5.626 126.247 120.570 0.085 0.000 2.294 467 I HA 0.230 4.400 4.170 -0.000 0.000 0.295 467 I C -1.143 174.987 176.117 0.022 0.000 1.098 467 I CA 0.227 61.565 61.300 0.064 0.000 1.277 467 I CB 0.011 38.071 38.000 0.101 0.000 1.434 467 I HN 0.514 nan 8.210 nan 0.000 0.498 468 L N 5.740 126.963 121.223 0.001 0.000 2.323 468 L HA 0.553 4.893 4.340 -0.000 0.000 0.265 468 L C -0.532 176.345 176.870 0.011 0.000 1.012 468 L CA -1.313 53.526 54.840 -0.002 0.000 0.820 468 L CB 1.685 43.744 42.059 0.001 0.000 1.334 468 L HN 0.507 nan 8.230 nan 0.000 0.427 469 D N 0.024 120.428 120.400 0.007 0.000 2.362 469 D HA 0.159 4.798 4.640 -0.000 0.000 0.242 469 D C 1.286 177.633 176.300 0.079 0.000 1.132 469 D CA -0.013 53.994 54.000 0.012 0.000 0.907 469 D CB 1.187 41.967 40.800 -0.034 0.000 1.195 469 D HN 0.616 nan 8.370 nan 0.000 0.429 470 G N 1.351 110.228 108.800 0.128 0.000 2.679 470 G HA2 -0.494 3.466 3.960 -0.000 0.000 0.222 470 G HA3 -0.494 3.466 3.960 -0.000 0.000 0.222 470 G C 1.316 176.405 174.900 0.315 0.000 1.164 470 G CA 1.292 46.570 45.100 0.297 0.000 0.769 470 G HN 0.780 nan 8.290 nan 0.000 0.610 471 N N 0.356 119.174 118.700 0.197 0.000 2.080 471 N HA -0.084 4.656 4.740 -0.000 0.000 0.189 471 N C 2.522 178.162 175.510 0.217 0.000 1.036 471 N CA 1.240 54.447 53.050 0.262 0.000 0.846 471 N CB -0.442 38.156 38.487 0.184 0.000 1.015 471 N HN 0.303 nan 8.380 nan 0.000 0.423 472 G N 0.827 109.704 108.800 0.129 0.000 2.553 472 G HA2 -0.336 3.624 3.960 -0.000 0.000 0.218 472 G HA3 -0.336 3.624 3.960 -0.000 0.000 0.218 472 G C 1.559 176.570 174.900 0.184 0.000 1.195 472 G CA 1.492 46.663 45.100 0.117 0.000 0.779 472 G HN 0.531 nan 8.290 nan 0.000 0.577 473 A N 1.024 123.932 122.820 0.146 0.000 1.893 473 A HA -0.229 4.091 4.320 -0.000 0.000 0.222 473 A C 2.402 180.090 177.584 0.173 0.000 1.309 473 A CA 2.143 54.256 52.037 0.127 0.000 0.681 473 A CB -0.611 18.447 19.000 0.098 0.000 0.842 473 A HN 0.324 nan 8.150 nan 0.000 0.468 474 I N -0.628 120.038 120.570 0.160 0.000 2.091 474 I HA -0.225 3.945 4.170 -0.000 0.000 0.239 474 I C 2.459 178.666 176.117 0.150 0.000 1.061 474 I CA 1.363 62.710 61.300 0.078 0.000 1.317 474 I CB -1.267 36.694 38.000 -0.064 0.000 1.031 474 I HN 0.230 nan 8.210 nan 0.000 0.401 475 L N -0.010 121.339 121.223 0.210 0.000 2.137 475 L HA -0.273 4.067 4.340 -0.000 0.000 0.213 475 L C 2.471 179.528 176.870 0.312 0.000 1.085 475 L CA 1.866 56.847 54.840 0.234 0.000 0.760 475 L CB -1.741 40.441 42.059 0.204 0.000 0.893 475 L HN 0.209 nan 8.230 nan 0.000 0.434 476 F N -0.227 119.853 119.950 0.216 0.000 2.163 476 F HA -0.160 4.367 4.527 -0.000 0.000 0.297 476 F C 2.259 178.207 175.800 0.246 0.000 1.094 476 F CA 1.147 59.335 58.000 0.313 0.000 1.290 476 F CB -0.047 39.112 39.000 0.266 0.000 1.017 476 F HN -0.031 nan 8.300 nan 0.000 0.483 477 L N -0.334 121.035 121.223 0.244 0.000 2.156 477 L HA -0.205 4.135 4.340 -0.000 0.000 0.208 477 L C 2.441 179.393 176.870 0.137 0.000 1.095 477 L CA 0.854 55.804 54.840 0.184 0.000 0.770 477 L CB -0.609 41.534 42.059 0.139 0.000 0.914 477 L HN 0.192 nan 8.230 nan 0.000 0.439 478 M N -1.478 118.204 119.600 0.137 0.000 2.080 478 M HA -0.255 4.225 4.480 -0.000 0.000 0.260 478 M C 2.243 178.624 176.300 0.134 0.000 1.068 478 M CA 2.016 57.398 55.300 0.136 0.000 1.109 478 M CB -0.720 31.972 32.600 0.154 0.000 1.342 478 M HN 0.440 nan 8.290 nan 0.000 0.405 479 W N 1.353 122.588 121.300 -0.108 0.000 2.418 479 W HA -0.094 4.566 4.660 -0.000 0.000 0.292 479 W C 2.380 178.724 176.519 -0.291 0.000 1.213 479 W CA 1.306 58.551 57.345 -0.167 0.000 1.283 479 W CB -0.243 29.124 29.460 -0.155 0.000 1.119 479 W HN 0.066 nan 8.180 nan 0.000 0.542 480 R N -1.687 118.425 120.500 -0.646 0.000 2.237 480 R HA 0.077 4.417 4.340 -0.000 0.000 0.195 480 R C -0.274 175.488 176.300 -0.896 0.000 0.956 480 R CA 0.733 56.229 56.100 -1.006 0.000 1.029 480 R CB -0.252 29.232 30.300 -1.360 0.000 0.972 480 R HN 0.106 nan 8.270 nan 0.000 0.493 481 Y N -0.625 119.564 120.300 -0.186 0.000 2.584 481 Y HA 0.371 4.921 4.550 -0.000 0.000 0.358 481 Y C -2.058 173.832 175.900 -0.016 0.000 1.028 481 Y CA -2.471 55.590 58.100 -0.065 0.000 1.148 481 Y CB 1.765 40.233 38.460 0.013 0.000 1.126 481 Y HN 0.052 nan 8.280 nan 0.000 0.658 482 P HA -0.125 nan 4.420 nan 0.000 0.218 482 P C -0.074 177.280 177.300 0.090 0.000 1.148 482 P CA 1.609 64.753 63.100 0.073 0.000 0.822 482 P CB 0.321 32.044 31.700 0.038 0.000 0.784 483 D N -1.437 119.024 120.400 0.101 0.000 2.863 483 D HA 0.290 4.930 4.640 -0.000 0.000 0.323 483 D C 0.905 177.273 176.300 0.114 0.000 1.286 483 D CA -0.021 54.035 54.000 0.093 0.000 0.921 483 D CB 0.025 40.866 40.800 0.068 0.000 1.024 483 D HN 0.185 nan 8.370 nan 0.000 0.505 484 I N -1.095 119.557 120.570 0.136 0.000 4.578 484 I HA 0.057 4.227 4.170 -0.000 0.000 0.312 484 I C -0.047 176.134 176.117 0.107 0.000 1.224 484 I CA 0.329 61.697 61.300 0.113 0.000 1.318 484 I CB 1.447 39.508 38.000 0.102 0.000 1.388 484 I HN -0.176 nan 8.210 nan 0.000 0.461 485 V N 2.864 122.848 119.914 0.117 0.000 2.305 485 V HA 0.264 4.384 4.120 -0.000 0.000 0.275 485 V C -0.082 176.065 176.094 0.089 0.000 1.020 485 V CA -0.798 61.554 62.300 0.087 0.000 0.811 485 V CB 1.070 32.935 31.823 0.070 0.000 1.031 485 V HN 0.116 nan 8.190 nan 0.000 0.439 486 K N 2.311 122.761 120.400 0.084 0.000 2.397 486 K HA 0.105 4.425 4.320 -0.000 0.000 0.265 486 K C 1.066 177.726 176.600 0.100 0.000 0.982 486 K CA -0.007 56.331 56.287 0.086 0.000 0.931 486 K CB 0.721 33.270 32.500 0.081 0.000 0.943 486 K HN 0.391 nan 8.250 nan 0.000 0.501 487 K N 1.004 121.464 120.400 0.100 0.000 2.097 487 K HA -0.172 4.148 4.320 -0.000 0.000 0.206 487 K C 1.239 177.923 176.600 0.139 0.000 1.049 487 K CA 1.775 58.133 56.287 0.118 0.000 0.933 487 K CB -0.055 32.502 32.500 0.095 0.000 0.717 487 K HN 0.523 nan 8.250 nan 0.000 0.442 488 D N -0.131 120.338 120.400 0.116 0.000 2.333 488 D HA -0.051 4.589 4.640 -0.000 0.000 0.208 488 D C -0.092 176.303 176.300 0.159 0.000 0.984 488 D CA -0.178 53.892 54.000 0.115 0.000 0.873 488 D CB 0.036 40.881 40.800 0.075 0.000 0.935 488 D HN -0.009 nan 8.370 nan 0.000 0.521 489 L N 1.169 122.492 121.223 0.167 0.000 2.781 489 L HA -0.044 4.296 4.340 -0.000 0.000 0.308 489 L C -0.319 176.740 176.870 0.314 0.000 1.240 489 L CA 0.815 55.777 54.840 0.203 0.000 0.873 489 L CB 0.247 42.404 42.059 0.163 0.000 1.144 489 L HN -0.112 nan 8.230 nan 0.000 0.505 490 T N 6.606 121.334 114.554 0.290 0.000 2.771 490 T HA 0.547 4.897 4.350 -0.000 0.000 0.291 490 T C -0.671 174.291 174.700 0.436 0.000 0.954 490 T CA 0.445 62.743 62.100 0.330 0.000 1.045 490 T CB 0.258 69.260 68.868 0.224 0.000 0.917 490 T HN 0.665 nan 8.240 nan 0.000 0.484 491 Y N 0.593 121.021 120.300 0.214 0.000 2.744 491 Y HA 0.682 5.232 4.550 -0.000 0.000 0.330 491 Y C -1.456 174.560 175.900 0.194 0.000 1.263 491 Y CA -1.464 56.775 58.100 0.232 0.000 1.065 491 Y CB 1.298 39.946 38.460 0.312 0.000 1.306 491 Y HN 0.344 nan 8.280 nan 0.000 0.459 492 D N 1.544 122.026 120.400 0.137 0.000 2.462 492 D HA 0.424 5.064 4.640 -0.000 0.000 0.249 492 D C -2.226 174.068 176.300 -0.009 0.000 1.117 492 D CA -2.732 51.264 54.000 -0.006 0.000 0.900 492 D CB 1.617 42.461 40.800 0.074 0.000 1.039 492 D HN 0.275 nan 8.370 nan 0.000 0.516 493 P HA -0.205 nan 4.420 nan 0.000 0.218 493 P C 1.102 178.387 177.300 -0.025 0.000 1.154 493 P CA 1.823 64.876 63.100 -0.078 0.000 0.872 493 P CB 0.305 31.932 31.700 -0.122 0.000 0.790 494 A N -1.321 121.486 122.820 -0.022 0.000 1.933 494 A HA -0.198 4.122 4.320 -0.000 0.000 0.218 494 A C 2.225 179.816 177.584 0.011 0.000 1.175 494 A CA 1.341 53.365 52.037 -0.022 0.000 0.628 494 A CB -1.866 17.137 19.000 0.006 0.000 0.814 494 A HN 0.343 nan 8.150 nan 0.000 0.444 495 W N 0.638 121.862 121.300 -0.126 0.000 2.409 495 W HA -0.065 4.595 4.660 -0.000 0.000 0.299 495 W C 2.199 178.583 176.519 -0.226 0.000 1.203 495 W CA 1.437 58.706 57.345 -0.128 0.000 1.298 495 W CB -0.252 29.167 29.460 -0.068 0.000 1.127 495 W HN 0.414 nan 8.180 nan 0.000 0.528 496 A N 1.181 123.808 122.820 -0.322 0.000 1.986 496 A HA -0.246 4.074 4.320 -0.000 0.000 0.220 496 A C 1.941 179.332 177.584 -0.321 0.000 1.171 496 A CA 2.043 53.676 52.037 -0.673 0.000 0.640 496 A CB -0.968 17.947 19.000 -0.141 0.000 0.811 496 A HN 0.410 nan 8.150 nan 0.000 0.451 497 M N -0.034 119.418 119.600 -0.245 0.000 2.618 497 M HA 0.026 4.506 4.480 -0.000 0.000 0.240 497 M C 0.650 176.693 176.300 -0.427 0.000 1.123 497 M CA 0.206 55.360 55.300 -0.244 0.000 1.060 497 M CB -0.110 32.373 32.600 -0.194 0.000 1.535 497 M HN 0.325 nan 8.290 nan 0.000 0.507 498 N N -0.145 118.150 118.700 -0.676 0.000 2.336 498 N HA 0.132 4.872 4.740 -0.000 0.000 0.189 498 N C -0.606 174.004 175.510 -1.501 0.000 1.113 498 N CA 0.505 52.786 53.050 -1.282 0.000 0.858 498 N CB 0.472 37.842 38.487 -1.861 0.000 0.970 498 N HN 0.162 nan 8.380 nan 0.000 0.471 499 F N 0.253 119.824 119.950 -0.633 0.000 2.561 499 F HA 0.614 5.141 4.527 -0.000 0.000 0.321 499 F C 0.235 175.909 175.800 -0.211 0.000 1.065 499 F CA -1.268 56.526 58.000 -0.342 0.000 0.934 499 F CB 1.403 40.347 39.000 -0.092 0.000 1.215 499 F HN -0.255 nan 8.300 nan 0.000 0.471 500 A N 1.786 124.630 122.820 0.040 0.000 2.317 500 A HA 0.837 5.157 4.320 -0.000 0.000 0.327 500 A C -1.252 176.374 177.584 0.070 0.000 1.178 500 A CA -0.610 51.442 52.037 0.024 0.000 0.817 500 A CB 1.012 20.005 19.000 -0.011 0.000 1.189 500 A HN 0.545 nan 8.150 nan 0.000 0.489 501 V N 1.677 121.618 119.914 0.045 0.000 2.823 501 V HA 0.761 4.881 4.120 -0.000 0.000 0.312 501 V C -0.039 176.049 176.094 -0.010 0.000 1.072 501 V CA -0.234 62.069 62.300 0.005 0.000 0.937 501 V CB 2.174 34.000 31.823 0.005 0.000 1.013 501 V HN 1.203 nan 8.190 nan 0.000 0.430 502 S N 4.506 120.189 115.700 -0.028 0.000 2.571 502 S HA 0.869 5.339 4.470 -0.000 0.000 0.284 502 S C -1.343 173.245 174.600 -0.020 0.000 1.128 502 S CA -0.715 57.482 58.200 -0.004 0.000 0.970 502 S CB 1.391 64.617 63.200 0.043 0.000 1.039 502 S HN 0.541 nan 8.310 nan 0.000 0.485 503 L N 1.998 123.207 121.223 -0.023 0.000 2.381 503 L HA 0.586 4.926 4.340 -0.000 0.000 0.274 503 L C -0.162 176.733 176.870 0.042 0.000 0.988 503 L CA -0.943 53.897 54.840 -0.000 0.000 0.824 503 L CB 1.794 43.805 42.059 -0.081 0.000 1.263 503 L HN 0.718 nan 8.230 nan 0.000 0.410 504 K N 3.090 123.539 120.400 0.082 0.000 2.079 504 K HA 0.153 4.473 4.320 -0.000 0.000 0.255 504 K C -0.774 175.888 176.600 0.103 0.000 1.114 504 K CA 0.364 56.694 56.287 0.073 0.000 1.056 504 K CB 0.061 32.592 32.500 0.052 0.000 1.176 504 K HN 0.422 nan 8.250 nan 0.000 0.353 505 E N 4.077 124.319 120.200 0.071 0.000 2.290 505 E HA 0.256 4.606 4.350 -0.000 0.000 0.274 505 E C -2.617 173.982 176.600 -0.000 0.000 0.889 505 E CA -2.278 54.173 56.400 0.085 0.000 0.760 505 E CB 1.558 31.366 29.700 0.180 0.000 1.206 505 E HN 0.371 nan 8.360 nan 0.000 0.419 506 P HA 0.075 nan 4.420 nan 0.000 0.269 506 P C 0.192 177.390 177.300 -0.171 0.000 1.211 506 P CA 0.100 63.146 63.100 -0.089 0.000 0.781 506 P CB 0.658 32.309 31.700 -0.080 0.000 0.877 507 I N 2.940 123.370 120.570 -0.234 0.000 2.471 507 I HA 0.100 4.270 4.170 -0.000 0.000 0.286 507 I C -1.663 174.230 176.117 -0.373 0.000 1.079 507 I CA -1.945 59.127 61.300 -0.380 0.000 1.398 507 I CB -0.419 37.417 38.000 -0.272 0.000 1.403 507 I HN 0.186 nan 8.210 nan 0.000 0.530 508 P HA -0.107 nan 4.420 nan 0.000 0.263 508 P C -0.929 176.260 177.300 -0.186 0.000 1.168 508 P CA 0.398 63.285 63.100 -0.354 0.000 0.759 508 P CB 0.319 31.813 31.700 -0.342 0.000 0.782 509 D N 2.737 123.068 120.400 -0.115 0.000 2.469 509 D HA 0.365 5.005 4.640 -0.000 0.000 0.251 509 D C -2.463 173.838 176.300 0.001 0.000 1.173 509 D CA -1.930 52.048 54.000 -0.036 0.000 0.882 509 D CB 0.270 41.049 40.800 -0.036 0.000 1.129 509 D HN 0.092 nan 8.370 nan 0.000 0.549 510 P HA 0.347 nan 4.420 nan 0.000 0.284 510 P C -2.430 174.865 177.300 -0.008 0.000 1.253 510 P CA -1.721 61.435 63.100 0.093 0.000 0.800 510 P CB 0.763 32.611 31.700 0.247 0.000 0.961 511 P HA -0.061 nan 4.420 nan 0.000 0.238 511 P C 0.374 177.630 177.300 -0.074 0.000 1.649 511 P CA 0.096 63.240 63.100 0.074 0.000 0.960 511 P CB -0.304 31.523 31.700 0.212 0.000 1.911 512 V N 2.342 122.103 119.914 -0.254 0.000 2.788 512 V HA 0.023 4.143 4.120 -0.000 0.000 0.307 512 V C -1.519 174.379 176.094 -0.327 0.000 1.069 512 V CA -1.027 60.906 62.300 -0.612 0.000 1.173 512 V CB 0.132 31.817 31.823 -0.231 0.000 0.925 512 V HN 0.185 nan 8.190 nan 0.000 0.492 513 P HA 0.074 nan 4.420 nan 0.000 0.246 513 P C 0.098 177.171 177.300 -0.378 0.000 1.686 513 P CA -0.138 62.714 63.100 -0.414 0.000 0.867 513 P CB -0.328 31.173 31.700 -0.332 0.000 1.733 514 D N 0.660 120.846 120.400 -0.356 0.000 2.478 514 D HA -0.059 4.581 4.640 -0.000 0.000 0.234 514 D C 1.586 177.654 176.300 -0.387 0.000 1.154 514 D CA -0.016 53.684 54.000 -0.499 0.000 0.874 514 D CB 0.881 41.065 40.800 -1.028 0.000 1.198 514 D HN 0.018 nan 8.370 nan 0.000 0.455 515 I N 2.214 122.582 120.570 -0.337 0.000 2.143 515 I HA -0.425 3.745 4.170 -0.000 0.000 0.245 515 I C 2.535 178.547 176.117 -0.175 0.000 1.068 515 I CA 1.874 63.035 61.300 -0.232 0.000 1.326 515 I CB -0.511 37.402 38.000 -0.145 0.000 1.028 515 I HN 0.537 nan 8.210 nan 0.000 0.412 516 S N 0.582 116.246 115.700 -0.060 0.000 2.413 516 S HA -0.257 4.213 4.470 -0.000 0.000 0.237 516 S C 1.786 176.369 174.600 -0.028 0.000 1.044 516 S CA 1.657 59.929 58.200 0.121 0.000 1.024 516 S CB -0.607 62.892 63.200 0.499 0.000 0.829 516 S HN 0.432 nan 8.310 nan 0.000 0.475 517 L N 0.702 121.759 121.223 -0.278 0.000 2.187 517 L HA 0.412 4.752 4.340 -0.000 0.000 0.197 517 L C 0.540 177.072 176.870 -0.565 0.000 1.090 517 L CA 0.818 55.319 54.840 -0.564 0.000 0.781 517 L CB -0.254 41.082 42.059 -1.206 0.000 0.956 517 L HN 0.420 nan 8.230 nan 0.000 0.463 518 C N 0.922 119.898 119.300 -0.539 0.000 2.223 518 C HA 0.471 4.931 4.460 -0.000 0.000 0.324 518 C C 1.406 176.041 174.990 -0.592 0.000 1.196 518 C CA -0.445 58.174 59.018 -0.665 0.000 1.628 518 C CB -0.223 27.328 27.740 -0.316 0.000 2.229 518 C HN 0.510 nan 8.230 nan 0.000 0.486 519 R N 0.838 120.837 120.500 -0.835 0.000 2.977 519 R HA 0.282 4.622 4.340 -0.000 0.000 0.161 519 R C 0.031 176.301 176.300 -0.051 0.000 0.805 519 R CA -0.282 55.611 56.100 -0.344 0.000 1.044 519 R CB -0.140 30.015 30.300 -0.243 0.000 1.433 519 R HN 0.632 nan 8.270 nan 0.000 0.570 520 F N 2.494 122.473 119.950 0.048 0.000 2.829 520 F HA -0.210 4.317 4.527 -0.000 0.000 0.237 520 F C -0.263 175.606 175.800 0.115 0.000 1.017 520 F CA -0.394 57.551 58.000 -0.093 0.000 0.882 520 F CB -1.163 37.720 39.000 -0.195 0.000 0.795 520 F HN 0.070 nan 8.300 nan 0.000 0.848 521 I N 1.400 122.105 120.570 0.226 0.000 2.588 521 I HA 0.211 4.381 4.170 -0.000 0.000 0.283 521 I C 1.531 177.561 176.117 -0.145 0.000 1.119 521 I CA 0.684 61.873 61.300 -0.185 0.000 1.419 521 I CB 0.430 38.283 38.000 -0.244 0.000 1.394 521 I HN 0.583 nan 8.210 nan 0.000 0.562 522 G N 4.950 113.491 108.800 -0.430 0.000 2.221 522 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.265 522 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.265 522 G C 0.789 175.598 174.900 -0.150 0.000 1.041 522 G CA 0.412 45.334 45.100 -0.297 0.000 0.807 522 G HN 0.605 nan 8.290 nan 0.000 0.502 523 L N -0.261 120.870 121.223 -0.152 0.000 2.217 523 L HA 0.193 4.533 4.340 -0.000 0.000 0.211 523 L C 2.717 179.579 176.870 -0.014 0.000 1.107 523 L CA 2.184 57.027 54.840 0.004 0.000 0.783 523 L CB -0.312 41.776 42.059 0.048 0.000 0.919 523 L HN 0.421 nan 8.230 nan 0.000 0.442 524 R N -1.424 119.044 120.500 -0.054 0.000 2.062 524 R HA -0.051 4.289 4.340 -0.000 0.000 0.229 524 R C 2.129 178.406 176.300 -0.039 0.000 1.128 524 R CA 1.428 57.521 56.100 -0.012 0.000 0.960 524 R CB -0.762 29.537 30.300 -0.003 0.000 0.855 524 R HN 0.266 nan 8.270 nan 0.000 0.432 525 V N 1.815 121.678 119.914 -0.085 0.000 2.255 525 V HA -0.235 3.885 4.120 -0.000 0.000 0.247 525 V C 2.371 178.437 176.094 -0.046 0.000 1.051 525 V CA 1.762 64.016 62.300 -0.076 0.000 1.018 525 V CB -0.438 31.319 31.823 -0.109 0.000 0.641 525 V HN 0.254 nan 8.190 nan 0.000 0.445 526 E N 0.588 120.767 120.200 -0.035 0.000 2.130 526 E HA -0.206 4.144 4.350 -0.000 0.000 0.196 526 E C 2.529 179.126 176.600 -0.004 0.000 0.998 526 E CA 1.839 58.233 56.400 -0.011 0.000 0.806 526 E CB -0.398 29.333 29.700 0.052 0.000 0.738 526 E HN 0.800 nan 8.360 nan 0.000 0.459 527 S N -0.331 115.370 115.700 0.001 0.000 2.357 527 S HA -0.042 4.428 4.470 -0.000 0.000 0.221 527 S C 2.308 176.923 174.600 0.025 0.000 1.031 527 S CA 1.237 59.449 58.200 0.021 0.000 0.982 527 S CB -0.279 62.938 63.200 0.029 0.000 0.853 527 S HN 0.028 nan 8.310 nan 0.000 0.458 528 S N 1.235 116.941 115.700 0.010 0.000 2.399 528 S HA -0.025 4.445 4.470 -0.000 0.000 0.231 528 S C 1.898 176.500 174.600 0.003 0.000 1.022 528 S CA 1.178 59.382 58.200 0.006 0.000 0.983 528 S CB -0.598 62.599 63.200 -0.005 0.000 0.803 528 S HN 0.432 nan 8.310 nan 0.000 0.480 529 V N 1.565 121.476 119.914 -0.006 0.000 2.295 529 V HA -0.145 3.975 4.120 -0.000 0.000 0.246 529 V C 2.244 178.338 176.094 0.001 0.000 1.049 529 V CA 1.352 63.646 62.300 -0.009 0.000 1.024 529 V CB -0.647 31.162 31.823 -0.022 0.000 0.648 529 V HN 0.342 nan 8.190 nan 0.000 0.447 530 L N 0.146 121.374 121.223 0.009 0.000 2.064 530 L HA -0.246 4.094 4.340 -0.000 0.000 0.216 530 L C 2.560 179.454 176.870 0.042 0.000 1.077 530 L CA 2.388 57.244 54.840 0.026 0.000 0.766 530 L CB -0.721 41.373 42.059 0.058 0.000 0.890 530 L HN 0.300 nan 8.230 nan 0.000 0.435 531 R N -1.212 119.312 120.500 0.040 0.000 2.210 531 R HA -0.017 4.323 4.340 -0.000 0.000 0.203 531 R C 1.991 178.303 176.300 0.020 0.000 1.010 531 R CA 0.992 57.115 56.100 0.039 0.000 1.008 531 R CB 0.080 30.402 30.300 0.037 0.000 0.923 531 R HN 0.387 nan 8.270 nan 0.000 0.469 532 V N -2.256 117.665 119.914 0.012 0.000 2.951 532 V HA 0.118 4.238 4.120 -0.000 0.000 0.255 532 V C 1.915 178.011 176.094 0.004 0.000 1.088 532 V CA 1.030 63.334 62.300 0.005 0.000 1.109 532 V CB -0.326 31.497 31.823 0.000 0.000 0.724 532 V HN 0.177 nan 8.190 nan 0.000 0.471 533 R N 0.234 120.737 120.500 0.004 0.000 2.164 533 R HA 0.306 4.646 4.340 -0.000 0.000 0.198 533 R C 0.513 176.815 176.300 0.003 0.000 1.028 533 R CA 0.720 56.820 56.100 0.000 0.000 1.083 533 R CB 0.343 30.640 30.300 -0.006 0.000 1.026 533 R HN 0.555 nan 8.270 nan 0.000 0.514 534 N N 0.702 119.408 118.700 0.011 0.000 2.751 534 N HA 0.156 4.896 4.740 -0.000 0.000 0.234 534 N C -2.777 172.759 175.510 0.043 0.000 1.403 534 N CA -1.469 51.590 53.050 0.016 0.000 0.747 534 N CB 1.140 39.628 38.487 0.002 0.000 1.326 534 N HN -0.101 nan 8.380 nan 0.000 0.532 535 P HA 0.237 nan 4.420 nan 0.000 0.286 535 P C -0.178 177.158 177.300 0.060 0.000 1.293 535 P CA -0.153 62.978 63.100 0.052 0.000 0.770 535 P CB 0.981 32.696 31.700 0.024 0.000 1.206 551 L N 0.206 121.459 121.223 0.050 0.000 2.362 551 L HA -0.019 4.321 4.340 -0.000 0.000 0.219 551 L C 1.992 178.939 176.870 0.129 0.000 1.134 551 L CA 1.658 56.524 54.840 0.044 0.000 0.807 551 L CB -0.065 41.985 42.059 -0.015 0.000 0.927 551 L HN 0.212 nan 8.230 nan 0.000 0.447 552 S N -1.253 114.508 115.700 0.103 0.000 2.325 552 S HA -0.060 4.410 4.470 -0.000 0.000 0.214 552 S C 2.075 176.753 174.600 0.130 0.000 1.031 552 S CA 0.604 58.870 58.200 0.109 0.000 0.972 552 S CB -1.336 61.894 63.200 0.050 0.000 0.908 552 S HN 0.399 nan 8.310 nan 0.000 0.453 553 G N 2.309 111.161 108.800 0.086 0.000 2.475 553 G HA2 -0.342 3.618 3.960 -0.000 0.000 0.220 553 G HA3 -0.342 3.618 3.960 -0.000 0.000 0.220 553 G C 1.468 176.465 174.900 0.163 0.000 1.125 553 G CA 1.298 46.450 45.100 0.087 0.000 0.755 553 G HN 0.678 nan 8.290 nan 0.000 0.565 554 H N 0.531 119.624 119.070 0.038 0.000 2.321 554 H HA -0.058 4.498 4.556 -0.000 0.000 0.300 554 H C 2.457 177.706 175.328 -0.131 0.000 1.087 554 H CA 1.627 57.654 56.048 -0.036 0.000 1.319 554 H CB -0.376 29.376 29.762 -0.016 0.000 1.379 554 H HN 0.286 nan 8.280 nan 0.000 0.501 555 L N 0.461 121.844 121.223 0.267 0.000 2.027 555 L HA -0.132 4.208 4.340 -0.000 0.000 0.206 555 L C 2.605 179.422 176.870 -0.089 0.000 1.074 555 L CA 1.980 56.842 54.840 0.037 0.000 0.745 555 L CB -1.349 40.823 42.059 0.189 0.000 0.898 555 L HN 0.276 nan 8.230 nan 0.000 0.433 556 Y N -0.451 119.806 120.300 -0.071 0.000 2.053 556 Y HA -0.322 4.228 4.550 -0.000 0.000 0.277 556 Y C 2.354 178.203 175.900 -0.085 0.000 1.159 556 Y CA 2.610 60.684 58.100 -0.042 0.000 1.125 556 Y CB -0.814 37.659 38.460 0.022 0.000 0.969 556 Y HN 0.012 nan 8.280 nan 0.000 0.492 557 V N 0.508 120.419 119.914 -0.006 0.000 2.250 557 V HA -0.418 3.702 4.120 -0.000 0.000 0.250 557 V C 2.738 178.664 176.094 -0.280 0.000 1.060 557 V CA 2.966 65.175 62.300 -0.152 0.000 1.030 557 V CB -1.452 30.319 31.823 -0.086 0.000 0.643 557 V HN 0.794 nan 8.190 nan 0.000 0.445 558 T N -1.702 112.601 114.554 -0.418 0.000 2.833 558 T HA -0.167 4.183 4.350 -0.000 0.000 0.269 558 T C 1.829 176.349 174.700 -0.300 0.000 1.054 558 T CA 1.765 63.593 62.100 -0.453 0.000 1.135 558 T CB -0.389 67.969 68.868 -0.849 0.000 0.869 558 T HN 0.382 nan 8.240 nan 0.000 0.466 559 L N -0.642 120.361 121.223 -0.367 0.000 1.988 559 L HA 0.048 4.388 4.340 -0.000 0.000 0.207 559 L C 2.941 179.738 176.870 -0.121 0.000 1.071 559 L CA 1.603 56.226 54.840 -0.361 0.000 0.744 559 L CB -0.533 41.089 42.059 -0.727 0.000 0.893 559 L HN 0.273 nan 8.230 nan 0.000 0.433 560 M N 0.220 119.729 119.600 -0.152 0.000 2.108 560 M HA -0.202 4.278 4.480 -0.000 0.000 0.261 560 M C 2.631 178.876 176.300 -0.091 0.000 1.066 560 M CA 2.213 57.441 55.300 -0.120 0.000 1.107 560 M CB -0.462 31.870 32.600 -0.447 0.000 1.356 560 M HN 0.367 nan 8.290 nan 0.000 0.406 561 S N -0.694 114.945 115.700 -0.101 0.000 2.383 561 S HA -0.046 4.424 4.470 -0.000 0.000 0.229 561 S C 1.830 176.388 174.600 -0.071 0.000 1.030 561 S CA 1.058 59.219 58.200 -0.064 0.000 1.002 561 S CB -1.670 61.525 63.200 -0.009 0.000 0.829 561 S HN 0.879 nan 8.310 nan 0.000 0.467 562 G N 1.047 109.813 108.800 -0.057 0.000 2.233 562 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.270 562 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.270 562 G C 0.563 175.385 174.900 -0.130 0.000 1.011 562 G CA 0.364 45.423 45.100 -0.069 0.000 0.762 562 G HN 1.454 nan 8.290 nan 0.000 0.511 563 A N -1.326 121.388 122.820 -0.178 0.000 2.387 563 A HA 0.684 5.004 4.320 -0.000 0.000 0.234 563 A C 0.185 177.367 177.584 -0.671 0.000 1.253 563 A CA 0.326 52.110 52.037 -0.423 0.000 0.894 563 A CB 0.413 19.102 19.000 -0.518 0.000 0.963 563 A HN 0.772 nan 8.150 nan 0.000 0.508 564 Y N -2.038 118.179 120.300 -0.138 0.000 2.479 564 Y HA 0.493 5.043 4.550 -0.000 0.000 0.338 564 Y C -0.569 175.256 175.900 -0.125 0.000 1.055 564 Y CA -1.181 56.852 58.100 -0.112 0.000 1.023 564 Y CB 1.747 40.184 38.460 -0.038 0.000 1.287 564 Y HN -0.188 nan 8.280 nan 0.000 0.447 565 V N 2.585 122.523 119.914 0.040 0.000 2.370 565 V HA 0.713 4.833 4.120 -0.000 0.000 0.283 565 V C -0.100 175.987 176.094 -0.013 0.000 1.023 565 V CA -0.232 62.059 62.300 -0.016 0.000 0.857 565 V CB 1.332 33.133 31.823 -0.038 0.000 0.985 565 V HN 0.929 nan 8.190 nan 0.000 0.443 566 T N 2.005 116.522 114.554 -0.062 0.000 2.778 566 T HA 0.380 4.730 4.350 -0.000 0.000 0.293 566 T C -1.494 173.124 174.700 -0.137 0.000 1.144 566 T CA -0.488 61.552 62.100 -0.101 0.000 1.010 566 T CB 1.957 70.753 68.868 -0.119 0.000 1.325 566 T HN 0.665 nan 8.240 nan 0.000 0.515 567 D N 2.091 122.425 120.400 -0.109 0.000 2.500 567 D HA 0.321 4.961 4.640 -0.000 0.000 0.219 567 D C 1.777 178.015 176.300 -0.102 0.000 1.137 567 D CA -0.196 53.790 54.000 -0.022 0.000 0.946 567 D CB -0.414 40.485 40.800 0.165 0.000 1.022 567 D HN 0.491 nan 8.370 nan 0.000 0.518 568 L N 2.336 123.343 121.223 -0.360 0.000 2.077 568 L HA -0.330 4.010 4.340 -0.000 0.000 0.231 568 L C 2.042 178.522 176.870 -0.649 0.000 1.100 568 L CA 1.617 55.953 54.840 -0.841 0.000 0.819 568 L CB -0.487 40.813 42.059 -1.264 0.000 0.913 568 L HN 0.490 nan 8.230 nan 0.000 0.446 569 F N -0.818 118.993 119.950 -0.232 0.000 2.011 569 F HA -0.368 4.159 4.527 -0.000 0.000 0.296 569 F C 2.455 178.431 175.800 0.294 0.000 1.144 569 F CA 1.777 59.910 58.000 0.222 0.000 1.185 569 F CB -0.444 38.796 39.000 0.401 0.000 0.961 569 F HN 0.270 nan 8.300 nan 0.000 0.485 570 W N 0.466 121.963 121.300 0.327 0.000 2.318 570 W HA -0.285 4.375 4.660 -0.000 0.000 0.313 570 W C 2.039 178.660 176.519 0.170 0.000 1.221 570 W CA 1.498 58.954 57.345 0.185 0.000 1.266 570 W CB -1.514 28.010 29.460 0.106 0.000 1.150 570 W HN 0.407 nan 8.180 nan 0.000 0.496 571 W N 0.626 121.851 121.300 -0.125 0.000 2.315 571 W HA -0.286 4.374 4.660 -0.000 0.000 0.323 571 W C 2.398 178.883 176.519 -0.057 0.000 1.233 571 W CA 3.337 60.508 57.345 -0.290 0.000 1.267 571 W CB -1.341 27.873 29.460 -0.409 0.000 1.160 571 W HN -0.137 nan 8.180 nan 0.000 0.474 572 F N 0.831 120.881 119.950 0.167 0.000 2.063 572 F HA -0.274 4.253 4.527 -0.000 0.000 0.298 572 F C 2.470 178.268 175.800 -0.003 0.000 1.109 572 F CA 2.227 60.219 58.000 -0.013 0.000 1.212 572 F CB -1.656 37.404 39.000 0.101 0.000 0.973 572 F HN -0.104 nan 8.300 nan 0.000 0.480 573 K N -0.195 120.436 120.400 0.385 0.000 2.209 573 K HA -0.225 4.095 4.320 -0.000 0.000 0.204 573 K C 1.915 178.648 176.600 0.221 0.000 1.048 573 K CA 1.748 58.225 56.287 0.318 0.000 0.940 573 K CB -0.172 32.551 32.500 0.372 0.000 0.729 573 K HN 0.331 nan 8.250 nan 0.000 0.451 574 M N -0.661 119.017 119.600 0.130 0.000 2.236 574 M HA -0.040 4.440 4.480 -0.000 0.000 0.266 574 M C 1.556 177.904 176.300 0.081 0.000 1.070 574 M CA 1.461 56.805 55.300 0.073 0.000 1.137 574 M CB -0.418 32.097 32.600 -0.142 0.000 1.378 574 M HN -0.108 nan 8.290 nan 0.000 0.426 575 I N 0.733 121.197 120.570 -0.177 0.000 2.163 575 I HA -0.227 3.943 4.170 -0.000 0.000 0.243 575 I C 2.296 178.391 176.117 -0.037 0.000 1.085 575 I CA 1.665 62.835 61.300 -0.216 0.000 1.347 575 I CB -1.013 36.675 38.000 -0.518 0.000 1.044 575 I HN 0.446 nan 8.210 nan 0.000 0.408 576 L N -0.450 120.784 121.223 0.018 0.000 2.296 576 L HA 0.014 4.354 4.340 -0.000 0.000 0.193 576 L C 1.668 178.591 176.870 0.089 0.000 1.123 576 L CA 0.628 55.491 54.840 0.038 0.000 0.805 576 L CB -1.017 41.062 42.059 0.034 0.000 1.004 576 L HN -0.024 nan 8.230 nan 0.000 0.478 577 D N -1.314 119.169 120.400 0.139 0.000 2.411 577 D HA -0.190 4.450 4.640 -0.000 0.000 0.226 577 D C 1.118 177.577 176.300 0.265 0.000 0.988 577 D CA 0.982 55.086 54.000 0.173 0.000 0.938 577 D CB 0.022 40.940 40.800 0.196 0.000 0.883 577 D HN 0.434 nan 8.370 nan 0.000 0.525 578 W N -0.457 120.856 121.300 0.021 0.000 4.811 578 W HA 0.132 4.792 4.660 -0.000 0.000 0.178 578 W C -0.325 176.204 176.519 0.016 0.000 1.104 578 W CA 0.154 57.517 57.345 0.030 0.000 1.779 578 W CB 0.429 29.921 29.460 0.053 0.000 0.601 578 W HN -0.185 nan 8.180 nan 0.000 1.017 579 S N 1.485 117.291 115.700 0.176 0.000 2.577 579 S HA 0.795 5.265 4.470 -0.000 0.000 0.294 579 S C -0.278 174.301 174.600 -0.035 0.000 1.161 579 S CA -0.382 57.823 58.200 0.009 0.000 1.143 579 S CB 0.927 64.286 63.200 0.265 0.000 0.991 579 S HN 0.372 nan 8.310 nan 0.000 0.475 580 A N 3.001 125.764 122.820 -0.095 0.000 2.249 580 A HA 0.698 5.018 4.320 -0.000 0.000 0.281 580 A C 0.681 178.163 177.584 -0.170 0.000 1.127 580 A CA -0.296 51.630 52.037 -0.184 0.000 0.833 580 A CB -0.228 18.683 19.000 -0.148 0.000 1.140 580 A HN 0.931 nan 8.150 nan 0.000 0.502 581 Q N -0.773 118.899 119.800 -0.213 0.000 1.457 581 Q HA -0.235 4.105 4.340 -0.000 0.000 0.442 581 Q C -0.378 175.466 176.000 -0.260 0.000 0.961 581 Q CA 2.333 57.962 55.803 -0.290 0.000 0.596 581 Q CB -0.373 28.070 28.738 -0.492 0.000 4.789 581 Q HN 0.912 nan 8.270 nan 0.000 0.637 582 N N -0.390 118.138 118.700 -0.287 0.000 2.242 582 N HA 0.298 5.038 4.740 -0.000 0.000 0.292 582 N C -0.056 175.357 175.510 -0.161 0.000 1.125 582 N CA -0.435 52.504 53.050 -0.185 0.000 0.783 582 N CB 1.486 39.897 38.487 -0.126 0.000 1.558 582 N HN 0.474 nan 8.380 nan 0.000 0.472 583 R N 1.348 121.772 120.500 -0.127 0.000 2.133 583 R HA -0.225 4.115 4.340 -0.000 0.000 0.245 583 R C 1.319 177.600 176.300 -0.032 0.000 1.137 583 R CA 2.048 58.091 56.100 -0.096 0.000 0.947 583 R CB -0.057 30.174 30.300 -0.115 0.000 0.865 583 R HN 0.591 nan 8.270 nan 0.000 0.437 584 E N 0.525 120.701 120.200 -0.039 0.000 1.999 584 E HA -0.181 4.169 4.350 -0.000 0.000 0.194 584 E C 1.920 178.518 176.600 -0.004 0.000 0.995 584 E CA 1.408 57.801 56.400 -0.011 0.000 0.825 584 E CB -0.436 29.252 29.700 -0.019 0.000 0.777 584 E HN 0.510 nan 8.360 nan 0.000 0.459 585 Q N 0.648 120.426 119.800 -0.037 0.000 2.452 585 Q HA -0.066 4.274 4.340 -0.000 0.000 0.214 585 Q C 0.868 176.833 176.000 -0.057 0.000 0.966 585 Q CA 0.515 56.298 55.803 -0.033 0.000 0.964 585 Q CB -0.138 28.571 28.738 -0.048 0.000 0.992 585 Q HN 0.171 nan 8.270 nan 0.000 0.517 586 K N -0.298 120.062 120.400 -0.067 0.000 2.592 586 K HA 0.173 4.493 4.320 -0.000 0.000 0.203 586 K C -0.153 176.573 176.600 0.210 0.000 1.070 586 K CA -0.058 56.183 56.287 -0.077 0.000 1.062 586 K CB 0.642 32.760 32.500 -0.637 0.000 0.814 586 K HN 0.094 nan 8.250 nan 0.000 0.502 587 L N -2.965 118.369 121.223 0.185 0.000 3.859 587 L HA 0.409 4.749 4.340 -0.000 0.000 0.385 587 L C 0.118 177.078 176.870 0.150 0.000 1.296 587 L CA -0.665 54.302 54.840 0.212 0.000 1.178 587 L CB -0.576 41.643 42.059 0.267 0.000 1.409 587 L HN 0.134 nan 8.230 nan 0.000 0.600 588 R N 1.263 121.834 120.500 0.119 0.000 3.772 588 R HA -0.308 4.032 4.340 -0.000 0.000 0.480 588 R C 0.685 177.080 176.300 0.159 0.000 0.241 588 R CA 2.426 58.598 56.100 0.120 0.000 1.508 588 R CB -1.485 28.875 30.300 0.100 0.000 0.956 588 R HN 0.704 nan 8.270 nan 0.000 0.583 589 D N 1.119 121.647 120.400 0.214 0.000 2.403 589 D HA -0.051 4.589 4.640 -0.000 0.000 0.227 589 D C 1.628 178.076 176.300 0.247 0.000 0.995 589 D CA 0.781 54.930 54.000 0.248 0.000 0.928 589 D CB -0.102 40.891 40.800 0.322 0.000 0.887 589 D HN 0.313 nan 8.370 nan 0.000 0.529 590 L N -0.581 120.778 121.223 0.227 0.000 2.307 590 L HA 0.070 4.409 4.340 -0.000 0.000 0.211 590 L C 2.101 179.043 176.870 0.120 0.000 1.099 590 L CA 0.877 55.811 54.840 0.156 0.000 0.816 590 L CB -0.135 42.001 42.059 0.129 0.000 0.952 590 L HN -0.027 nan 8.230 nan 0.000 0.455 591 K N 0.019 120.488 120.400 0.116 0.000 2.044 591 K HA -0.066 4.254 4.320 -0.000 0.000 0.204 591 K C 1.653 178.304 176.600 0.084 0.000 1.045 591 K CA 1.500 57.840 56.287 0.090 0.000 0.951 591 K CB 0.088 32.636 32.500 0.080 0.000 0.738 591 K HN 0.129 nan 8.250 nan 0.000 0.443 592 R N -1.898 118.649 120.500 0.079 0.000 1.203 592 R HA -0.232 4.108 4.340 -0.000 0.000 0.012 592 R C 1.367 177.725 176.300 0.096 0.000 0.961 592 R CA 1.946 58.095 56.100 0.082 0.000 1.984 592 R CB -2.183 28.173 30.300 0.092 0.000 0.125 592 R HN 0.207 nan 8.270 nan 0.000 0.732 593 S N 0.791 116.580 115.700 0.148 0.000 2.561 593 S HA 0.347 4.817 4.470 -0.000 0.000 0.225 593 S C 0.898 175.713 174.600 0.358 0.000 0.977 593 S CA 1.182 59.519 58.200 0.229 0.000 0.926 593 S CB 0.382 63.772 63.200 0.317 0.000 0.769 593 S HN 1.159 nan 8.310 nan 0.000 0.533 594 A N 0.163 123.123 122.820 0.232 0.000 2.798 594 A HA -0.134 4.186 4.320 -0.000 0.000 0.282 594 A C 0.602 178.352 177.584 0.277 0.000 1.464 594 A CA 0.795 52.969 52.037 0.228 0.000 0.844 594 A CB -2.195 16.922 19.000 0.195 0.000 1.006 594 A HN 0.793 nan 8.150 nan 0.000 0.577 595 A N -0.486 122.429 122.820 0.158 0.000 2.269 595 A HA 0.762 5.082 4.320 -0.000 0.000 0.319 595 A C 0.271 177.716 177.584 -0.230 0.000 1.110 595 A CA 0.177 52.059 52.037 -0.258 0.000 0.847 595 A CB 0.581 19.369 19.000 -0.352 0.000 1.161 595 A HN 1.125 nan 8.150 nan 0.000 0.497 596 E N -0.592 119.403 120.200 -0.342 0.000 2.456 596 E HA 0.735 5.085 4.350 -0.000 0.000 0.276 596 E C -1.508 174.927 176.600 -0.276 0.000 0.981 596 E CA -0.782 55.478 56.400 -0.234 0.000 0.814 596 E CB 1.748 31.372 29.700 -0.127 0.000 1.382 596 E HN 0.556 nan 8.360 nan 0.000 0.459 597 V N 0.067 119.841 119.914 -0.232 0.000 3.165 597 V HA 0.436 4.556 4.120 -0.000 0.000 0.309 597 V C -0.741 175.253 176.094 -0.166 0.000 1.267 597 V CA -0.714 61.432 62.300 -0.256 0.000 1.067 597 V CB 2.133 33.730 31.823 -0.376 0.000 1.082 597 V HN 0.786 nan 8.190 nan 0.000 0.451 598 I N 0.586 121.059 120.570 -0.161 0.000 4.442 598 I HA 0.365 4.535 4.170 -0.000 0.000 0.331 598 I C -0.103 175.938 176.117 -0.126 0.000 1.364 598 I CA -0.074 61.182 61.300 -0.073 0.000 1.207 598 I CB 0.577 38.596 38.000 0.032 0.000 1.298 598 I HN 0.659 nan 8.210 nan 0.000 0.463 599 E N 0.850 120.934 120.200 -0.194 0.000 2.265 599 E HA 0.369 4.719 4.350 -0.000 0.000 0.262 599 E C -1.778 174.872 176.600 0.084 0.000 0.889 599 E CA -0.703 55.585 56.400 -0.186 0.000 0.789 599 E CB 1.742 31.151 29.700 -0.485 0.000 1.221 599 E HN 0.257 nan 8.360 nan 0.000 0.414 612 R N 1.090 121.573 120.500 -0.029 0.000 2.211 612 R HA -0.185 4.155 4.340 -0.000 0.000 0.240 612 R C 1.557 177.837 176.300 -0.034 0.000 1.144 612 R CA 2.205 58.282 56.100 -0.039 0.000 0.992 612 R CB -0.124 30.157 30.300 -0.032 0.000 0.869 612 R HN 0.764 nan 8.270 nan 0.000 0.462 613 N N -0.479 118.209 118.700 -0.019 0.000 2.402 613 N HA -0.056 4.684 4.740 -0.000 0.000 0.174 613 N C 0.817 176.327 175.510 -0.001 0.000 1.027 613 N CA 0.699 53.742 53.050 -0.011 0.000 0.891 613 N CB 0.114 38.596 38.487 -0.008 0.000 1.016 613 N HN 0.083 nan 8.380 nan 0.000 0.439 614 D N 1.176 121.579 120.400 0.005 0.000 2.123 614 D HA -0.112 4.528 4.640 -0.000 0.000 0.196 614 D C 1.809 178.134 176.300 0.041 0.000 0.992 614 D CA 0.888 54.900 54.000 0.020 0.000 0.833 614 D CB -0.276 40.540 40.800 0.026 0.000 0.954 614 D HN 0.260 nan 8.370 nan 0.000 0.455 615 L N 0.342 121.590 121.223 0.042 0.000 2.056 615 L HA -0.073 4.267 4.340 -0.000 0.000 0.207 615 L C 2.472 179.363 176.870 0.035 0.000 1.078 615 L CA 0.705 55.585 54.840 0.066 0.000 0.749 615 L CB -0.859 41.222 42.059 0.037 0.000 0.901 615 L HN 0.099 nan 8.230 nan 0.000 0.433 616 I N -0.545 120.026 120.570 0.001 0.000 2.208 616 I HA -0.183 3.987 4.170 -0.000 0.000 0.245 616 I C 2.659 178.798 176.117 0.036 0.000 1.097 616 I CA 1.713 63.018 61.300 0.008 0.000 1.363 616 I CB -0.928 37.070 38.000 -0.004 0.000 1.051 616 I HN 0.041 nan 8.210 nan 0.000 0.413 617 A N 1.054 123.894 122.820 0.033 0.000 1.902 617 A HA 0.026 4.346 4.320 -0.000 0.000 0.217 617 A C 2.568 180.191 177.584 0.065 0.000 1.181 617 A CA 2.170 54.228 52.037 0.035 0.000 0.623 617 A CB -1.346 17.663 19.000 0.014 0.000 0.818 617 A HN 0.652 nan 8.150 nan 0.000 0.443 618 A N -0.174 122.698 122.820 0.087 0.000 1.851 618 A HA -0.066 4.254 4.320 -0.000 0.000 0.216 618 A C 2.086 179.789 177.584 0.200 0.000 1.195 618 A CA 1.665 53.792 52.037 0.150 0.000 0.622 618 A CB -0.649 18.447 19.000 0.160 0.000 0.831 618 A HN 0.383 nan 8.150 nan 0.000 0.444 619 L N -0.343 120.967 121.223 0.145 0.000 1.971 619 L HA -0.220 4.120 4.340 -0.000 0.000 0.215 619 L C 2.693 179.685 176.870 0.204 0.000 1.072 619 L CA 2.207 57.141 54.840 0.158 0.000 0.758 619 L CB -1.505 40.625 42.059 0.117 0.000 0.889 619 L HN 0.462 nan 8.230 nan 0.000 0.433 620 R N -0.508 120.075 120.500 0.139 0.000 2.115 620 R HA -0.267 4.073 4.340 -0.000 0.000 0.239 620 R C 2.115 178.496 176.300 0.134 0.000 1.133 620 R CA 1.854 58.022 56.100 0.113 0.000 0.935 620 R CB -0.430 29.911 30.300 0.069 0.000 0.853 620 R HN 0.275 nan 8.270 nan 0.000 0.433 621 E N 0.340 120.626 120.200 0.143 0.000 2.048 621 E HA -0.258 4.092 4.350 -0.000 0.000 0.202 621 E C 1.708 178.453 176.600 0.242 0.000 1.021 621 E CA 1.757 58.251 56.400 0.156 0.000 0.825 621 E CB -0.639 29.125 29.700 0.107 0.000 0.756 621 E HN 0.388 nan 8.360 nan 0.000 0.454 622 Y N 1.540 121.969 120.300 0.214 0.000 2.069 622 Y HA -0.336 4.214 4.550 -0.000 0.000 0.278 622 Y C 2.237 178.176 175.900 0.065 0.000 1.175 622 Y CA 3.126 61.302 58.100 0.126 0.000 1.134 622 Y CB -0.417 38.078 38.460 0.058 0.000 0.965 622 Y HN 0.183 nan 8.280 nan 0.000 0.498 623 K N -0.171 120.330 120.400 0.169 0.000 2.283 623 K HA -0.139 4.181 4.320 -0.000 0.000 0.202 623 K C 2.196 178.790 176.600 -0.011 0.000 1.048 623 K CA 1.055 57.378 56.287 0.061 0.000 0.948 623 K CB -0.241 32.341 32.500 0.137 0.000 0.742 623 K HN 0.137 nan 8.250 nan 0.000 0.458 624 R N 1.468 121.974 120.500 0.012 0.000 2.115 624 R HA 0.012 4.351 4.340 -0.000 0.000 0.230 624 R C 1.342 177.621 176.300 -0.035 0.000 1.111 624 R CA 1.258 57.358 56.100 0.001 0.000 0.976 624 R CB 0.077 30.391 30.300 0.024 0.000 0.870 624 R HN 0.305 nan 8.270 nan 0.000 0.445 625 K N -0.097 120.256 120.400 -0.078 0.000 2.361 625 K HA 0.085 4.405 4.320 -0.000 0.000 0.196 625 K C 0.546 177.047 176.600 -0.164 0.000 1.039 625 K CA 0.562 56.783 56.287 -0.111 0.000 1.001 625 K CB 0.321 32.748 32.500 -0.121 0.000 0.795 625 K HN 0.176 nan 8.250 nan 0.000 0.495 626 M N -0.612 118.865 119.600 -0.205 0.000 2.060 626 M HA 0.332 4.812 4.480 -0.000 0.000 0.231 626 M C -0.471 175.772 176.300 -0.096 0.000 0.936 626 M CA -0.617 54.577 55.300 -0.176 0.000 0.981 626 M CB 1.239 33.678 32.600 -0.269 0.000 2.216 626 M HN -0.164 nan 8.290 nan 0.000 0.399 627 G N 2.327 111.096 108.800 -0.052 0.000 2.395 627 G HA2 0.611 4.571 3.960 -0.000 0.000 0.283 627 G HA3 0.611 4.571 3.960 -0.000 0.000 0.283 627 G C 0.426 175.316 174.900 -0.017 0.000 1.178 627 G CA -0.407 44.681 45.100 -0.020 0.000 0.837 627 G HN 0.968 nan 8.290 nan 0.000 0.518 628 M N -0.672 118.926 119.600 -0.003 0.000 2.903 628 M HA -0.174 4.306 4.480 -0.000 0.000 0.180 628 M C 1.313 177.616 176.300 0.005 0.000 0.647 628 M CA 1.389 56.690 55.300 0.002 0.000 0.688 628 M CB -0.559 32.040 32.600 -0.002 0.000 2.482 628 M HN 0.530 nan 8.290 nan 0.000 0.275 629 R N 2.242 122.740 120.500 -0.004 0.000 3.688 629 R HA 0.248 4.588 4.340 -0.000 0.000 0.194 629 R C -0.038 176.275 176.300 0.021 0.000 1.677 629 R CA 0.768 56.872 56.100 0.006 0.000 1.351 629 R CB 0.050 30.344 30.300 -0.010 0.000 1.338 629 R HN 0.434 nan 8.270 nan 0.000 0.731 630 E N -1.634 118.584 120.200 0.030 0.000 5.829 630 E HA -0.136 4.214 4.350 -0.000 0.000 0.527 630 E C 0.449 177.068 176.600 0.032 0.000 1.268 630 E CA 0.344 56.769 56.400 0.042 0.000 2.940 630 E CB -1.373 28.385 29.700 0.097 0.000 1.009 630 E HN 0.458 nan 8.360 nan 0.000 0.313 631 G N -0.265 108.562 108.800 0.045 0.000 2.939 631 G HA2 0.419 4.379 3.960 -0.000 0.000 0.216 631 G HA3 0.419 4.379 3.960 -0.000 0.000 0.216 631 G C 1.017 175.950 174.900 0.054 0.000 1.125 631 G CA 1.161 46.310 45.100 0.081 0.000 0.766 631 G HN 1.093 nan 8.290 nan 0.000 0.541 632 A N -0.012 122.822 122.820 0.022 0.000 1.620 632 A HA -0.358 3.962 4.320 -0.000 0.000 0.371 632 A C 1.745 179.334 177.584 0.007 0.000 2.153 632 A CA 3.173 55.211 52.037 0.001 0.000 1.078 632 A CB -1.469 17.515 19.000 -0.027 0.000 1.472 632 A HN 1.623 nan 8.150 nan 0.000 0.715 633 S N -4.062 111.647 115.700 0.015 0.000 4.370 633 S HA 0.101 4.571 4.470 -0.000 0.000 0.066 633 S C 0.769 175.432 174.600 0.104 0.000 0.840 633 S CA 0.922 59.107 58.200 -0.026 0.000 1.142 633 S CB -1.434 61.746 63.200 -0.033 0.000 0.604 633 S HN 1.760 nan 8.310 nan 0.000 0.776 634 I N 1.952 122.704 120.570 0.303 0.000 4.904 634 I HA -0.446 3.724 4.170 -0.000 0.000 0.038 634 I C 1.014 177.204 176.117 0.122 0.000 0.635 634 I CA 2.302 63.723 61.300 0.201 0.000 0.228 634 I CB -0.867 37.233 38.000 0.166 0.000 0.331 634 I HN 0.389 nan 8.210 nan 0.000 0.150 635 D N 0.446 120.878 120.400 0.054 0.000 2.351 635 D HA -0.111 4.529 4.640 -0.000 0.000 0.216 635 D C 1.867 178.142 176.300 -0.041 0.000 0.968 635 D CA 1.555 55.562 54.000 0.012 0.000 0.899 635 D CB -0.150 40.650 40.800 0.001 0.000 0.907 635 D HN 0.410 nan 8.370 nan 0.000 0.514 636 S N -0.813 114.829 115.700 -0.096 0.000 2.362 636 S HA -0.090 4.380 4.470 -0.000 0.000 0.221 636 S C 1.709 176.148 174.600 -0.269 0.000 1.032 636 S CA 0.554 58.610 58.200 -0.241 0.000 0.973 636 S CB -0.168 62.790 63.200 -0.404 0.000 0.849 636 S HN 0.346 nan 8.310 nan 0.000 0.465 637 W N 1.508 122.763 121.300 -0.075 0.000 2.418 637 W HA 0.125 4.785 4.660 -0.000 0.000 0.292 637 W C 2.055 178.501 176.519 -0.122 0.000 1.213 637 W CA 0.042 57.328 57.345 -0.099 0.000 1.283 637 W CB -0.368 29.075 29.460 -0.027 0.000 1.119 637 W HN 0.272 nan 8.180 nan 0.000 0.542 638 L N 0.233 121.532 121.223 0.127 0.000 1.994 638 L HA -0.222 4.118 4.340 -0.000 0.000 0.208 638 L C 1.959 178.832 176.870 0.006 0.000 1.071 638 L CA 1.510 56.379 54.840 0.048 0.000 0.745 638 L CB -0.777 41.309 42.059 0.044 0.000 0.892 638 L HN -0.038 nan 8.230 nan 0.000 0.431 639 E N -0.325 119.864 120.200 -0.019 0.000 2.533 639 E HA -0.148 4.202 4.350 -0.000 0.000 0.201 639 E C 1.620 178.209 176.600 -0.018 0.000 1.097 639 E CA 0.282 56.652 56.400 -0.049 0.000 0.887 639 E CB 0.076 29.722 29.700 -0.091 0.000 0.855 639 E HN 0.449 nan 8.360 nan 0.000 0.540 640 L N -0.045 121.182 121.223 0.007 0.000 2.817 640 L HA 0.049 4.389 4.340 -0.000 0.000 0.248 640 L C 1.266 178.147 176.870 0.018 0.000 1.133 640 L CA -0.101 54.761 54.840 0.037 0.000 0.935 640 L CB 0.443 42.496 42.059 -0.010 0.000 1.266 640 L HN 0.138 nan 8.230 nan 0.000 0.535 641 L N 0.301 121.512 121.223 -0.020 0.000 2.116 641 L HA 0.048 4.388 4.340 -0.000 0.000 0.200 641 L C 1.385 178.257 176.870 0.004 0.000 1.084 641 L CA 1.172 55.975 54.840 -0.062 0.000 0.766 641 L CB -0.885 41.108 42.059 -0.110 0.000 0.930 641 L HN 0.306 nan 8.230 nan 0.000 0.453 642 R N -0.594 119.919 120.500 0.022 0.000 4.559 642 R HA 0.069 4.409 4.340 -0.000 0.000 0.177 642 R C 0.417 176.803 176.300 0.144 0.000 1.875 642 R CA 0.244 56.374 56.100 0.050 0.000 1.509 642 R CB -0.401 29.913 30.300 0.023 0.000 1.395 642 R HN 0.528 nan 8.270 nan 0.000 0.830 643 H N -0.750 118.313 119.070 -0.011 0.000 1.798 643 H HA -0.078 4.478 4.556 -0.000 0.000 0.115 643 H C 0.224 175.559 175.328 0.011 0.000 1.261 643 H CA 0.125 56.173 56.048 0.001 0.000 0.454 643 H CB 0.036 29.797 29.762 -0.001 0.000 0.320 643 H HN 0.189 nan 8.280 nan 0.000 0.207 644 L N 0.000 121.275 121.223 0.087 0.000 2.949 644 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 644 L CA 0.000 54.869 54.840 0.048 0.000 0.813 644 L CB 0.000 42.081 42.059 0.037 0.000 0.961 644 L HN 0.000 nan 8.230 nan 0.000 0.502