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 1kyo_1_C DATA FIRST_RESID 1 DATA SEQUENCE MAFRKSNVYL SLVNSYIIDS PQPSSINYWW NMGSLLGLCL VIQIVTGIFM DATA SEQUENCE AMHYSSNIEL AFSSVEHIMR DVHNGYILRY LHANGASFFF MVMFMHMAKG DATA SEQUENCE LYYGSYRSPR VTLWNVGVII FTLTIATAFL GYCCVYGQMS HWGATVITNL DATA SEQUENCE FSAIPFVGND IVSWLWGGFS VSNPTIQRFF ALHYLVPFII AAMVIMHLMA DATA SEQUENCE LHIHGSSNPL GITGNLDRIP MHSYFIFKDL VTVFLFMLIL ALFVFYSPNT DATA SEQUENCE LGHPDNYIPG NPLVTPASIV PEWYLLPFYA ILRSIPDKLL GVITMFAAIL DATA SEQUENCE VLLVLPFTDR SVVRGNTFKV LSKFFFFIFV FNFVLLGQIG ACHVEVPYVL DATA SEQUENCE MGQIATFIYF AYFLIIVPVI STIENVLFYI GRVNK 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.341 176.300 0.069 0.000 1.140 1 M CA 0.000 55.328 55.300 0.046 0.000 0.988 1 M CB 0.000 32.621 32.600 0.036 0.000 1.302 2 A N 2.188 125.050 122.820 0.071 0.000 2.520 2 A HA 0.322 4.642 4.320 -0.001 0.000 0.235 2 A C 0.372 178.042 177.584 0.143 0.000 1.065 2 A CA 0.037 52.136 52.037 0.104 0.000 0.764 2 A CB -0.113 18.939 19.000 0.087 0.000 1.002 2 A HN 1.025 nan 8.150 nan 0.000 0.502 3 F N 2.096 122.054 119.950 0.014 0.000 2.095 3 F HA -0.249 4.277 4.527 -0.001 0.000 0.298 3 F C 2.585 178.393 175.800 0.013 0.000 1.104 3 F CA 2.246 60.252 58.000 0.011 0.000 1.232 3 F CB -0.006 39.001 39.000 0.012 0.000 0.987 3 F HN 0.806 nan 8.300 nan 0.000 0.475 4 R N 0.353 120.845 120.500 -0.013 0.000 2.170 4 R HA -0.215 4.125 4.340 -0.001 0.000 0.242 4 R C 1.882 178.110 176.300 -0.119 0.000 1.145 4 R CA 1.904 57.936 56.100 -0.113 0.000 0.984 4 R CB -0.514 29.788 30.300 0.003 0.000 0.869 4 R HN 0.236 nan 8.270 nan 0.000 0.455 5 K N 0.799 121.162 120.400 -0.062 0.000 2.098 5 K HA -0.004 4.316 4.320 -0.001 0.000 0.203 5 K C 2.286 178.841 176.600 -0.075 0.000 1.051 5 K CA 1.397 57.660 56.287 -0.040 0.000 0.957 5 K CB 0.217 32.720 32.500 0.005 0.000 0.738 5 K HN 0.329 nan 8.250 nan 0.000 0.447 6 S N -0.104 115.543 115.700 -0.089 0.000 2.425 6 S HA -0.048 4.421 4.470 -0.001 0.000 0.225 6 S C 0.791 175.285 174.600 -0.177 0.000 1.024 6 S CA -0.006 58.143 58.200 -0.085 0.000 0.951 6 S CB -0.528 62.674 63.200 0.003 0.000 0.796 6 S HN 0.295 nan 8.310 nan 0.000 0.498 7 N N 0.571 119.041 118.700 -0.383 0.000 2.454 7 N HA 0.077 4.816 4.740 -0.001 0.000 0.254 7 N C 1.004 176.316 175.510 -0.330 0.000 1.228 7 N CA 0.420 53.190 53.050 -0.467 0.000 0.900 7 N CB 1.128 39.070 38.487 -0.908 0.000 1.089 7 N HN 0.037 nan 8.380 nan 0.000 0.449 8 V N 4.231 123.925 119.914 -0.367 0.000 2.261 8 V HA -0.252 3.867 4.120 -0.001 0.000 0.246 8 V C 1.023 176.873 176.094 -0.408 0.000 1.047 8 V CA 1.810 63.851 62.300 -0.432 0.000 1.015 8 V CB -0.827 30.620 31.823 -0.627 0.000 0.642 8 V HN 0.806 nan 8.190 nan 0.000 0.446 9 Y N -0.357 119.879 120.300 -0.106 0.000 2.153 9 Y HA -0.039 4.510 4.550 -0.001 0.000 0.289 9 Y C 2.404 178.235 175.900 -0.114 0.000 1.119 9 Y CA 1.421 59.463 58.100 -0.097 0.000 1.116 9 Y CB -0.402 38.014 38.460 -0.074 0.000 1.004 9 Y HN 0.120 nan 8.280 nan 0.000 0.501 10 L N 0.228 121.440 121.223 -0.019 0.000 2.129 10 L HA -0.287 4.053 4.340 -0.001 0.000 0.212 10 L C 2.634 179.459 176.870 -0.075 0.000 1.087 10 L CA 1.679 56.474 54.840 -0.075 0.000 0.757 10 L CB -0.794 41.150 42.059 -0.191 0.000 0.896 10 L HN 0.365 nan 8.230 nan 0.000 0.434 11 S N -0.266 115.370 115.700 -0.105 0.000 2.399 11 S HA -0.172 4.297 4.470 -0.001 0.000 0.231 11 S C 1.987 176.590 174.600 0.006 0.000 1.022 11 S CA 0.724 58.889 58.200 -0.058 0.000 0.983 11 S CB -0.455 62.699 63.200 -0.076 0.000 0.803 11 S HN 0.364 nan 8.310 nan 0.000 0.480 12 L N 1.046 122.266 121.223 -0.005 0.000 2.083 12 L HA -0.054 4.286 4.340 -0.001 0.000 0.209 12 L C 2.629 179.519 176.870 0.034 0.000 1.083 12 L CA 1.403 56.244 54.840 0.001 0.000 0.752 12 L CB -0.686 41.324 42.059 -0.080 0.000 0.899 12 L HN 0.328 nan 8.230 nan 0.000 0.433 13 V N -0.093 119.825 119.914 0.008 0.000 2.270 13 V HA -0.297 3.822 4.120 -0.001 0.000 0.245 13 V C 2.356 178.502 176.094 0.087 0.000 1.043 13 V CA 1.989 64.306 62.300 0.028 0.000 1.014 13 V CB -0.821 31.003 31.823 0.001 0.000 0.645 13 V HN 0.581 nan 8.190 nan 0.000 0.447 14 N N 1.036 119.772 118.700 0.060 0.000 2.094 14 N HA -0.205 4.535 4.740 -0.001 0.000 0.191 14 N C 1.762 177.340 175.510 0.114 0.000 1.023 14 N CA 2.071 55.162 53.050 0.068 0.000 0.857 14 N CB -0.031 38.477 38.487 0.036 0.000 1.013 14 N HN 0.601 nan 8.380 nan 0.000 0.426 15 S N -1.813 113.978 115.700 0.152 0.000 2.593 15 S HA 0.049 4.518 4.470 -0.001 0.000 0.217 15 S C 0.859 175.565 174.600 0.178 0.000 0.966 15 S CA -0.114 58.188 58.200 0.170 0.000 0.914 15 S CB -0.141 63.160 63.200 0.169 0.000 0.776 15 S HN 0.390 nan 8.310 nan 0.000 0.523 16 Y N -0.165 120.161 120.300 0.043 0.000 2.512 16 Y HA 0.530 5.080 4.550 -0.001 0.000 0.268 16 Y C 1.515 177.455 175.900 0.066 0.000 1.102 16 Y CA -0.410 57.715 58.100 0.041 0.000 1.261 16 Y CB 0.585 39.011 38.460 -0.056 0.000 1.250 16 Y HN 0.237 nan 8.280 nan 0.000 0.506 17 I N -1.596 119.100 120.570 0.210 0.000 4.624 17 I HA 0.077 4.246 4.170 -0.001 0.000 0.327 17 I C 1.075 177.290 176.117 0.162 0.000 1.295 17 I CA 0.411 61.807 61.300 0.159 0.000 1.267 17 I CB 0.694 38.759 38.000 0.108 0.000 1.249 17 I HN 0.004 nan 8.210 nan 0.000 0.440 18 I N 0.470 121.128 120.570 0.147 0.000 3.196 18 I HA 0.065 4.234 4.170 -0.001 0.000 0.248 18 I C 0.986 177.218 176.117 0.190 0.000 1.105 18 I CA 0.685 62.085 61.300 0.167 0.000 1.482 18 I CB 0.041 38.087 38.000 0.076 0.000 1.400 18 I HN -0.046 nan 8.210 nan 0.000 0.464 19 D N 0.835 121.317 120.400 0.138 0.000 2.339 19 D HA 0.028 4.667 4.640 -0.001 0.000 0.217 19 D C 0.811 177.165 176.300 0.090 0.000 1.050 19 D CA 0.270 54.340 54.000 0.118 0.000 0.856 19 D CB 0.152 41.006 40.800 0.089 0.000 0.922 19 D HN -0.049 nan 8.370 nan 0.000 0.518 20 S N 1.933 117.686 115.700 0.089 0.000 2.670 20 S HA 0.023 4.492 4.470 -0.001 0.000 0.308 20 S C -2.466 172.132 174.600 -0.002 0.000 1.232 20 S CA -1.084 57.135 58.200 0.032 0.000 1.126 20 S CB 0.325 63.549 63.200 0.039 0.000 0.897 20 S HN -0.132 nan 8.310 nan 0.000 0.508 21 P HA 0.140 nan 4.420 nan 0.000 0.264 21 P C -0.611 176.622 177.300 -0.113 0.000 1.236 21 P CA 0.005 63.071 63.100 -0.057 0.000 0.811 21 P CB 0.415 32.072 31.700 -0.071 0.000 0.840 22 Q N 4.723 124.445 119.800 -0.130 0.000 2.257 22 Q HA 0.461 4.800 4.340 -0.001 0.000 0.262 22 Q C -2.447 173.428 176.000 -0.208 0.000 0.997 22 Q CA -2.600 53.041 55.803 -0.271 0.000 0.873 22 Q CB 0.581 28.962 28.738 -0.595 0.000 1.312 22 Q HN 0.231 nan 8.270 nan 0.000 0.450 23 P HA 0.041 nan 4.420 nan 0.000 0.281 23 P C 0.508 177.711 177.300 -0.162 0.000 1.252 23 P CA 0.064 63.042 63.100 -0.203 0.000 0.778 23 P CB 0.778 32.319 31.700 -0.264 0.000 0.895 24 S N 1.668 117.307 115.700 -0.102 0.000 2.420 24 S HA -0.193 4.276 4.470 -0.001 0.000 0.237 24 S C 1.476 176.033 174.600 -0.072 0.000 1.023 24 S CA 1.700 59.860 58.200 -0.067 0.000 0.991 24 S CB -1.223 61.919 63.200 -0.096 0.000 0.792 24 S HN 0.499 nan 8.310 nan 0.000 0.488 25 S N 1.697 117.317 115.700 -0.134 0.000 2.634 25 S HA 0.323 4.793 4.470 -0.001 0.000 0.221 25 S C 0.615 175.041 174.600 -0.290 0.000 0.952 25 S CA -0.733 57.370 58.200 -0.162 0.000 0.930 25 S CB -1.114 62.004 63.200 -0.137 0.000 0.780 25 S HN 0.720 nan 8.310 nan 0.000 0.498 26 I N 1.475 121.816 120.570 -0.382 0.000 2.556 26 I HA 0.398 4.567 4.170 -0.001 0.000 0.284 26 I C 0.230 176.162 176.117 -0.309 0.000 1.114 26 I CA -0.843 60.019 61.300 -0.730 0.000 1.418 26 I CB 0.120 37.526 38.000 -0.991 0.000 1.394 26 I HN 0.160 nan 8.210 nan 0.000 0.552 27 N N 4.246 122.819 118.700 -0.212 0.000 2.431 27 N HA 0.141 4.881 4.740 -0.001 0.000 0.289 27 N C 0.340 175.995 175.510 0.242 0.000 1.277 27 N CA -0.265 52.845 53.050 0.100 0.000 0.972 27 N CB 0.007 38.660 38.487 0.275 0.000 1.143 27 N HN 0.584 nan 8.380 nan 0.000 0.578 28 Y N -1.886 118.534 120.300 0.200 0.000 2.574 28 Y HA -0.009 4.541 4.550 -0.001 0.000 0.294 28 Y C 1.215 177.181 175.900 0.111 0.000 1.142 28 Y CA 0.669 58.831 58.100 0.103 0.000 1.314 28 Y CB -0.346 38.073 38.460 -0.069 0.000 0.991 28 Y HN 0.524 nan 8.280 nan 0.000 0.555 29 W N -1.761 119.831 121.300 0.487 0.000 2.425 29 W HA -0.171 4.488 4.660 -0.001 0.000 0.277 29 W C 1.734 178.387 176.519 0.224 0.000 1.231 29 W CA 0.391 57.928 57.345 0.319 0.000 1.248 29 W CB -0.466 29.136 29.460 0.237 0.000 1.117 29 W HN 0.114 nan 8.180 nan 0.000 0.568 30 W N 0.369 121.848 121.300 0.300 0.000 2.825 30 W HA -0.086 4.574 4.660 -0.001 0.000 0.243 30 W C 0.847 177.489 176.519 0.204 0.000 1.293 30 W CA 0.396 57.863 57.345 0.203 0.000 1.403 30 W CB -0.501 29.004 29.460 0.076 0.000 1.134 30 W HN -0.046 nan 8.180 nan 0.000 0.666 31 N N -0.187 118.744 118.700 0.386 0.000 2.463 31 N HA -0.094 4.645 4.740 -0.001 0.000 0.181 31 N C 1.758 177.393 175.510 0.207 0.000 1.078 31 N CA 0.760 53.978 53.050 0.281 0.000 0.902 31 N CB -0.377 38.291 38.487 0.303 0.000 0.970 31 N HN -0.078 nan 8.380 nan 0.000 0.451 32 M N -0.255 119.500 119.600 0.258 0.000 2.202 32 M HA 0.011 4.491 4.480 -0.001 0.000 0.262 32 M C 2.121 178.444 176.300 0.038 0.000 1.063 32 M CA 1.033 56.459 55.300 0.210 0.000 1.097 32 M CB -1.567 31.269 32.600 0.393 0.000 1.382 32 M HN 0.174 nan 8.290 nan 0.000 0.413 33 G N 0.450 109.300 108.800 0.083 0.000 2.459 33 G HA2 -0.235 3.724 3.960 -0.001 0.000 0.217 33 G HA3 -0.235 3.724 3.960 -0.001 0.000 0.217 33 G C 1.702 176.562 174.900 -0.067 0.000 1.183 33 G CA 1.724 46.781 45.100 -0.071 0.000 0.776 33 G HN 0.589 nan 8.290 nan 0.000 0.552 34 S N 0.311 116.009 115.700 -0.003 0.000 2.399 34 S HA -0.038 4.432 4.470 -0.001 0.000 0.231 34 S C 2.284 176.796 174.600 -0.146 0.000 1.022 34 S CA 1.217 59.391 58.200 -0.043 0.000 0.983 34 S CB -0.303 62.897 63.200 -0.001 0.000 0.803 34 S HN 0.069 nan 8.310 nan 0.000 0.480 35 L N 1.370 122.484 121.223 -0.181 0.000 2.046 35 L HA 0.156 4.495 4.340 -0.001 0.000 0.208 35 L C 2.470 179.086 176.870 -0.423 0.000 1.077 35 L CA 1.330 55.941 54.840 -0.381 0.000 0.747 35 L CB -1.015 40.823 42.059 -0.368 0.000 0.896 35 L HN 0.358 nan 8.230 nan 0.000 0.432 36 L N -1.453 119.607 121.223 -0.271 0.000 2.093 36 L HA -0.116 4.224 4.340 -0.001 0.000 0.208 36 L C 2.490 179.194 176.870 -0.277 0.000 1.085 36 L CA 1.152 55.863 54.840 -0.214 0.000 0.755 36 L CB -1.147 40.843 42.059 -0.114 0.000 0.904 36 L HN 0.383 nan 8.230 nan 0.000 0.435 37 G N 0.020 108.694 108.800 -0.211 0.000 2.421 37 G HA2 -0.256 3.704 3.960 -0.001 0.000 0.216 37 G HA3 -0.256 3.704 3.960 -0.001 0.000 0.216 37 G C 1.649 176.405 174.900 -0.241 0.000 1.171 37 G CA 0.565 45.559 45.100 -0.176 0.000 0.775 37 G HN 0.244 nan 8.290 nan 0.000 0.543 38 L N 0.113 121.169 121.223 -0.277 0.000 2.046 38 L HA -0.129 4.210 4.340 -0.001 0.000 0.208 38 L C 2.989 179.665 176.870 -0.324 0.000 1.077 38 L CA 1.236 55.916 54.840 -0.267 0.000 0.747 38 L CB -0.314 41.572 42.059 -0.289 0.000 0.896 38 L HN 0.299 nan 8.230 nan 0.000 0.432 39 C N -0.698 118.299 119.300 -0.504 0.000 2.413 39 C HA -0.217 4.243 4.460 -0.001 0.000 0.276 39 C C 2.611 177.163 174.990 -0.730 0.000 1.236 39 C CA 0.663 59.279 59.018 -0.670 0.000 1.735 39 C CB -0.980 26.056 27.740 -1.174 0.000 2.031 39 C HN 0.547 nan 8.230 nan 0.000 0.474 40 L N 0.927 121.715 121.223 -0.725 0.000 2.012 40 L HA -0.132 4.208 4.340 -0.001 0.000 0.210 40 L C 2.519 179.221 176.870 -0.279 0.000 1.073 40 L CA 1.907 56.481 54.840 -0.442 0.000 0.748 40 L CB -0.738 41.173 42.059 -0.247 0.000 0.891 40 L HN 0.233 nan 8.230 nan 0.000 0.431 41 V N -0.292 119.488 119.914 -0.224 0.000 2.237 41 V HA -0.341 3.779 4.120 -0.001 0.000 0.245 41 V C 2.468 178.493 176.094 -0.114 0.000 1.046 41 V CA 2.230 64.447 62.300 -0.138 0.000 1.007 41 V CB -0.601 31.160 31.823 -0.103 0.000 0.638 41 V HN 0.393 nan 8.190 nan 0.000 0.445 42 I N -0.205 120.291 120.570 -0.124 0.000 2.113 42 I HA -0.339 3.831 4.170 -0.001 0.000 0.242 42 I C 2.870 178.956 176.117 -0.052 0.000 1.064 42 I CA 1.682 62.938 61.300 -0.073 0.000 1.320 42 I CB -0.579 37.383 38.000 -0.065 0.000 1.028 42 I HN 0.372 nan 8.210 nan 0.000 0.406 43 Q N 0.537 120.256 119.800 -0.135 0.000 2.045 43 Q HA -0.194 4.145 4.340 -0.001 0.000 0.206 43 Q C 2.296 178.300 176.000 0.006 0.000 0.991 43 Q CA 1.871 57.606 55.803 -0.113 0.000 0.851 43 Q CB -0.584 28.008 28.738 -0.244 0.000 0.911 43 Q HN 0.578 nan 8.270 nan 0.000 0.418 44 I N 0.050 120.556 120.570 -0.107 0.000 2.163 44 I HA -0.270 3.900 4.170 -0.001 0.000 0.243 44 I C 2.318 178.408 176.117 -0.046 0.000 1.085 44 I CA 0.959 62.170 61.300 -0.148 0.000 1.347 44 I CB -0.318 37.553 38.000 -0.216 0.000 1.044 44 I HN -0.008 nan 8.210 nan 0.000 0.408 45 V N 0.647 120.573 119.914 0.021 0.000 2.270 45 V HA -0.277 3.842 4.120 -0.001 0.000 0.245 45 V C 2.695 178.909 176.094 0.199 0.000 1.043 45 V CA 2.465 64.845 62.300 0.132 0.000 1.014 45 V CB -1.484 30.405 31.823 0.111 0.000 0.645 45 V HN 0.625 nan 8.190 nan 0.000 0.447 46 T N -0.797 113.830 114.554 0.122 0.000 2.759 46 T HA -0.136 4.213 4.350 -0.001 0.000 0.269 46 T C 1.956 176.674 174.700 0.030 0.000 1.042 46 T CA 1.676 63.837 62.100 0.102 0.000 1.140 46 T CB -0.957 67.993 68.868 0.136 0.000 0.864 46 T HN 0.500 nan 8.240 nan 0.000 0.455 47 G N 1.712 110.508 108.800 -0.007 0.000 2.433 47 G HA2 -0.052 3.907 3.960 -0.001 0.000 0.216 47 G HA3 -0.052 3.907 3.960 -0.001 0.000 0.216 47 G C 1.562 176.381 174.900 -0.134 0.000 1.186 47 G CA 0.791 45.759 45.100 -0.221 0.000 0.779 47 G HN 0.569 nan 8.290 nan 0.000 0.543 48 I N -0.298 120.213 120.570 -0.097 0.000 2.264 48 I HA -0.159 4.010 4.170 -0.001 0.000 0.248 48 I C 2.447 178.535 176.117 -0.048 0.000 1.111 48 I CA 0.954 62.196 61.300 -0.097 0.000 1.382 48 I CB -0.270 37.686 38.000 -0.073 0.000 1.060 48 I HN 0.066 nan 8.210 nan 0.000 0.418 49 F N 0.028 119.965 119.950 -0.023 0.000 2.293 49 F HA -0.136 4.390 4.527 -0.001 0.000 0.300 49 F C 2.478 178.305 175.800 0.045 0.000 1.086 49 F CA 1.232 59.239 58.000 0.011 0.000 1.375 49 F CB -0.258 38.747 39.000 0.008 0.000 1.045 49 F HN -0.018 nan 8.300 nan 0.000 0.516 50 M N -1.184 118.507 119.600 0.152 0.000 2.334 50 M HA -0.022 4.457 4.480 -0.001 0.000 0.266 50 M C 2.451 178.828 176.300 0.129 0.000 1.082 50 M CA 0.972 56.344 55.300 0.121 0.000 1.141 50 M CB -0.342 32.226 32.600 -0.053 0.000 1.380 50 M HN 0.126 nan 8.290 nan 0.000 0.440 51 A N 0.561 123.445 122.820 0.108 0.000 2.032 51 A HA -0.180 4.140 4.320 -0.001 0.000 0.221 51 A C 1.985 179.643 177.584 0.123 0.000 1.165 51 A CA 1.465 53.635 52.037 0.221 0.000 0.645 51 A CB -0.719 18.498 19.000 0.363 0.000 0.807 51 A HN 0.506 nan 8.150 nan 0.000 0.453 52 M N -1.067 118.524 119.600 -0.016 0.000 2.700 52 M HA -0.060 4.419 4.480 -0.001 0.000 0.249 52 M C 0.904 176.921 176.300 -0.472 0.000 1.082 52 M CA 0.887 56.043 55.300 -0.241 0.000 1.077 52 M CB -0.221 32.165 32.600 -0.357 0.000 1.477 52 M HN 0.482 nan 8.290 nan 0.000 0.529 53 H N -3.088 116.037 119.070 0.092 0.000 3.535 53 H HA 0.172 4.728 4.556 -0.001 0.000 0.260 53 H C -0.389 175.007 175.328 0.112 0.000 1.173 53 H CA -0.256 55.862 56.048 0.116 0.000 1.168 53 H CB 0.407 30.234 29.762 0.108 0.000 1.568 53 H HN 0.209 nan 8.280 nan 0.000 0.602 54 Y N 2.104 122.409 120.300 0.008 0.000 2.326 54 Y HA 0.342 4.891 4.550 -0.001 0.000 0.333 54 Y C -0.073 175.703 175.900 -0.207 0.000 1.240 54 Y CA -0.243 57.777 58.100 -0.133 0.000 1.365 54 Y CB 1.074 39.361 38.460 -0.289 0.000 1.289 54 Y HN -0.213 nan 8.280 nan 0.000 0.548 55 S N 2.519 117.458 115.700 -1.269 0.000 2.707 55 S HA 0.167 4.637 4.470 -0.001 0.000 0.303 55 S C 0.513 174.359 174.600 -1.256 0.000 1.132 55 S CA -0.340 57.296 58.200 -0.940 0.000 1.046 55 S CB 1.243 64.138 63.200 -0.507 0.000 1.004 55 S HN 0.803 nan 8.310 nan 0.000 0.483 56 S N 3.124 118.367 115.700 -0.762 0.000 2.399 56 S HA -0.111 4.359 4.470 -0.001 0.000 0.231 56 S C 0.635 175.077 174.600 -0.263 0.000 1.022 56 S CA 0.573 58.564 58.200 -0.348 0.000 0.983 56 S CB -0.621 62.562 63.200 -0.028 0.000 0.803 56 S HN 0.737 nan 8.310 nan 0.000 0.480 57 N N 1.362 119.895 118.700 -0.278 0.000 2.217 57 N HA 0.041 4.781 4.740 -0.001 0.000 0.268 57 N C 0.892 176.248 175.510 -0.256 0.000 1.290 57 N CA 0.171 53.081 53.050 -0.232 0.000 0.831 57 N CB 0.146 38.509 38.487 -0.207 0.000 1.057 57 N HN 0.278 nan 8.380 nan 0.000 0.481 58 I N 2.058 122.455 120.570 -0.288 0.000 2.399 58 I HA -0.324 3.845 4.170 -0.001 0.000 0.254 58 I C 1.159 177.095 176.117 -0.300 0.000 1.146 58 I CA 1.631 62.676 61.300 -0.424 0.000 1.412 58 I CB 0.140 37.847 38.000 -0.488 0.000 1.076 58 I HN 0.645 nan 8.210 nan 0.000 0.432 59 E N 0.481 120.564 120.200 -0.195 0.000 2.060 59 E HA -0.080 4.269 4.350 -0.001 0.000 0.189 59 E C 2.009 178.560 176.600 -0.082 0.000 0.974 59 E CA 1.085 57.415 56.400 -0.117 0.000 0.808 59 E CB -0.153 29.485 29.700 -0.104 0.000 0.768 59 E HN 0.456 nan 8.360 nan 0.000 0.453 60 L N 0.204 121.352 121.223 -0.125 0.000 2.418 60 L HA 0.192 4.531 4.340 -0.001 0.000 0.218 60 L C 2.196 178.987 176.870 -0.132 0.000 1.125 60 L CA 0.299 55.064 54.840 -0.125 0.000 0.835 60 L CB -0.568 41.384 42.059 -0.178 0.000 0.953 60 L HN 0.084 nan 8.230 nan 0.000 0.454 61 A N 1.564 124.294 122.820 -0.150 0.000 1.849 61 A HA -0.330 3.989 4.320 -0.001 0.000 0.216 61 A C 2.173 179.819 177.584 0.103 0.000 1.225 61 A CA 2.167 54.139 52.037 -0.109 0.000 0.653 61 A CB -1.228 17.765 19.000 -0.012 0.000 0.844 61 A HN 0.384 nan 8.150 nan 0.000 0.453 62 F N 1.448 121.433 119.950 0.058 0.000 2.115 62 F HA -0.259 4.268 4.527 -0.001 0.000 0.300 62 F C 2.606 178.428 175.800 0.037 0.000 1.092 62 F CA 2.285 60.322 58.000 0.062 0.000 1.245 62 F CB -0.121 38.923 39.000 0.073 0.000 0.995 62 F HN 0.250 nan 8.300 nan 0.000 0.481 63 S N -0.343 115.540 115.700 0.305 0.000 2.383 63 S HA -0.199 4.270 4.470 -0.001 0.000 0.227 63 S C 2.181 176.836 174.600 0.092 0.000 1.026 63 S CA 1.158 59.475 58.200 0.195 0.000 0.981 63 S CB -0.795 62.483 63.200 0.129 0.000 0.818 63 S HN 0.615 nan 8.310 nan 0.000 0.472 64 S N 1.868 117.588 115.700 0.032 0.000 2.402 64 S HA -0.054 4.415 4.470 -0.001 0.000 0.229 64 S C 1.872 176.543 174.600 0.119 0.000 1.021 64 S CA 1.047 59.275 58.200 0.047 0.000 0.974 64 S CB -0.811 62.322 63.200 -0.111 0.000 0.800 64 S HN 0.310 nan 8.310 nan 0.000 0.484 65 V N 2.150 122.095 119.914 0.052 0.000 2.358 65 V HA -0.069 4.050 4.120 -0.001 0.000 0.246 65 V C 2.907 178.944 176.094 -0.094 0.000 1.047 65 V CA 1.788 64.072 62.300 -0.027 0.000 1.035 65 V CB -0.736 31.009 31.823 -0.131 0.000 0.658 65 V HN 0.435 nan 8.190 nan 0.000 0.452 66 E N -0.190 119.950 120.200 -0.100 0.000 2.268 66 E HA -0.217 4.132 4.350 -0.001 0.000 0.195 66 E C 2.084 178.699 176.600 0.024 0.000 0.995 66 E CA 1.251 57.623 56.400 -0.047 0.000 0.836 66 E CB -0.243 29.469 29.700 0.020 0.000 0.763 66 E HN 0.852 nan 8.360 nan 0.000 0.491 67 H N 0.316 119.364 119.070 -0.037 0.000 2.403 67 H HA 0.070 4.625 4.556 -0.001 0.000 0.298 67 H C 1.964 177.247 175.328 -0.074 0.000 1.059 67 H CA 1.195 57.221 56.048 -0.037 0.000 1.363 67 H CB -0.144 29.602 29.762 -0.027 0.000 1.410 67 H HN 0.049 nan 8.280 nan 0.000 0.528 68 I N -0.119 120.309 120.570 -0.237 0.000 2.353 68 I HA -0.200 3.970 4.170 -0.001 0.000 0.248 68 I C 1.784 177.761 176.117 -0.234 0.000 1.119 68 I CA 0.716 61.828 61.300 -0.313 0.000 1.417 68 I CB -0.158 37.755 38.000 -0.144 0.000 1.078 68 I HN 0.324 nan 8.210 nan 0.000 0.421 69 M N 0.002 119.514 119.600 -0.146 0.000 2.319 69 M HA -0.095 4.385 4.480 -0.001 0.000 0.265 69 M C 2.078 178.369 176.300 -0.014 0.000 1.068 69 M CA 1.723 56.978 55.300 -0.076 0.000 1.118 69 M CB -0.782 31.778 32.600 -0.066 0.000 1.395 69 M HN 0.236 nan 8.290 nan 0.000 0.435 70 R N -0.901 119.567 120.500 -0.052 0.000 2.215 70 R HA 0.062 4.401 4.340 -0.001 0.000 0.190 70 R C 1.537 177.811 176.300 -0.043 0.000 0.968 70 R CA 0.391 56.484 56.100 -0.011 0.000 1.122 70 R CB 0.230 30.540 30.300 0.017 0.000 1.151 70 R HN 0.243 nan 8.270 nan 0.000 0.582 71 D N 0.742 121.048 120.400 -0.157 0.000 2.216 71 D HA -0.001 4.639 4.640 -0.001 0.000 0.208 71 D C 0.395 176.488 176.300 -0.344 0.000 0.960 71 D CA 0.652 54.536 54.000 -0.193 0.000 0.861 71 D CB 0.206 40.931 40.800 -0.125 0.000 0.985 71 D HN -0.085 nan 8.370 nan 0.000 0.493 72 V N 2.713 122.328 119.914 -0.498 0.000 2.479 72 V HA -0.029 4.091 4.120 -0.001 0.000 0.281 72 V C 0.216 176.148 176.094 -0.271 0.000 1.031 72 V CA -0.048 61.929 62.300 -0.539 0.000 1.038 72 V CB -0.339 31.052 31.823 -0.721 0.000 0.981 72 V HN 0.162 nan 8.190 nan 0.000 0.478 73 H N 5.449 124.440 119.070 -0.133 0.000 3.070 73 H HA 0.061 4.616 4.556 -0.001 0.000 0.313 73 H C 1.161 176.406 175.328 -0.139 0.000 0.997 73 H CA 0.724 56.726 56.048 -0.076 0.000 1.438 73 H CB -0.248 29.492 29.762 -0.035 0.000 1.455 73 H HN 0.840 nan 8.280 nan 0.000 0.575 74 N N 1.547 120.205 118.700 -0.069 0.000 2.863 74 N HA -0.248 4.491 4.740 -0.001 0.000 0.245 74 N C 1.703 176.935 175.510 -0.463 0.000 1.001 74 N CA 0.063 52.887 53.050 -0.376 0.000 0.901 74 N CB -0.872 37.480 38.487 -0.225 0.000 1.124 74 N HN 0.854 nan 8.380 nan 0.000 0.582 75 G N 1.155 109.786 108.800 -0.281 0.000 2.553 75 G HA2 -0.361 3.599 3.960 -0.001 0.000 0.218 75 G HA3 -0.361 3.599 3.960 -0.001 0.000 0.218 75 G C 1.027 175.776 174.900 -0.251 0.000 1.195 75 G CA 1.746 46.701 45.100 -0.242 0.000 0.779 75 G HN 0.688 nan 8.290 nan 0.000 0.577 76 Y N 0.522 120.741 120.300 -0.135 0.000 2.181 76 Y HA -0.143 4.407 4.550 -0.001 0.000 0.284 76 Y C 2.471 178.303 175.900 -0.113 0.000 1.179 76 Y CA 1.362 59.361 58.100 -0.168 0.000 1.179 76 Y CB -0.749 37.698 38.460 -0.021 0.000 0.973 76 Y HN 0.236 nan 8.280 nan 0.000 0.519 77 I N 0.471 120.635 120.570 -0.678 0.000 2.226 77 I HA -0.278 3.892 4.170 -0.001 0.000 0.245 77 I C 2.516 178.494 176.117 -0.231 0.000 1.100 77 I CA 1.333 62.382 61.300 -0.419 0.000 1.374 77 I CB -0.465 37.247 38.000 -0.481 0.000 1.057 77 I HN 0.291 nan 8.210 nan 0.000 0.413 78 L N 0.006 121.089 121.223 -0.233 0.000 2.012 78 L HA -0.217 4.122 4.340 -0.001 0.000 0.210 78 L C 2.835 179.651 176.870 -0.089 0.000 1.073 78 L CA 1.280 56.036 54.840 -0.139 0.000 0.748 78 L CB -0.728 41.256 42.059 -0.125 0.000 0.891 78 L HN 0.261 nan 8.230 nan 0.000 0.431 79 R N -0.222 120.190 120.500 -0.145 0.000 2.062 79 R HA -0.176 4.163 4.340 -0.001 0.000 0.231 79 R C 2.386 178.650 176.300 -0.060 0.000 1.136 79 R CA 1.707 57.718 56.100 -0.149 0.000 0.948 79 R CB -0.522 29.602 30.300 -0.293 0.000 0.845 79 R HN 0.245 nan 8.270 nan 0.000 0.430 80 Y N 0.811 121.115 120.300 0.007 0.000 2.333 80 Y HA -0.142 4.408 4.550 -0.001 0.000 0.290 80 Y C 2.278 178.160 175.900 -0.029 0.000 1.144 80 Y CA 0.750 58.853 58.100 0.005 0.000 1.228 80 Y CB -0.437 38.004 38.460 -0.032 0.000 0.985 80 Y HN 0.066 nan 8.280 nan 0.000 0.542 81 L N -1.618 119.646 121.223 0.068 0.000 2.131 81 L HA -0.195 4.144 4.340 -0.001 0.000 0.206 81 L C 2.343 179.254 176.870 0.067 0.000 1.087 81 L CA 1.149 55.992 54.840 0.006 0.000 0.767 81 L CB -0.236 41.798 42.059 -0.042 0.000 0.917 81 L HN 0.222 nan 8.230 nan 0.000 0.441 82 H N -0.441 118.629 119.070 -0.000 0.000 2.276 82 H HA -0.114 4.442 4.556 -0.001 0.000 0.301 82 H C 2.142 177.522 175.328 0.087 0.000 1.073 82 H CA 1.790 57.854 56.048 0.026 0.000 1.311 82 H CB -0.017 29.754 29.762 0.016 0.000 1.379 82 H HN 0.330 nan 8.280 nan 0.000 0.494 83 A N 0.634 123.594 122.820 0.233 0.000 1.892 83 A HA -0.245 4.075 4.320 -0.001 0.000 0.218 83 A C 2.234 179.966 177.584 0.247 0.000 1.188 83 A CA 2.040 54.220 52.037 0.239 0.000 0.631 83 A CB -0.586 18.571 19.000 0.263 0.000 0.822 83 A HN 0.595 nan 8.150 nan 0.000 0.447 84 N N -0.442 118.379 118.700 0.202 0.000 2.409 84 N HA -0.074 4.666 4.740 -0.001 0.000 0.179 84 N C 1.787 177.367 175.510 0.116 0.000 1.032 84 N CA 1.028 54.181 53.050 0.171 0.000 0.898 84 N CB -0.283 38.228 38.487 0.039 0.000 0.971 84 N HN 0.516 nan 8.380 nan 0.000 0.441 85 G N 0.885 109.708 108.800 0.039 0.000 2.408 85 G HA2 -0.127 3.833 3.960 -0.001 0.000 0.217 85 G HA3 -0.127 3.833 3.960 -0.001 0.000 0.217 85 G C 1.677 176.674 174.900 0.162 0.000 1.150 85 G CA 0.876 45.996 45.100 0.033 0.000 0.776 85 G HN 0.357 nan 8.290 nan 0.000 0.542 86 A N 0.897 123.805 122.820 0.147 0.000 1.877 86 A HA 0.008 4.327 4.320 -0.001 0.000 0.216 86 A C 2.700 180.484 177.584 0.333 0.000 1.186 86 A CA 2.260 54.407 52.037 0.183 0.000 0.620 86 A CB -0.681 18.415 19.000 0.161 0.000 0.822 86 A HN 0.295 nan 8.150 nan 0.000 0.443 87 S N -1.021 114.988 115.700 0.514 0.000 2.368 87 S HA -0.082 4.388 4.470 -0.001 0.000 0.225 87 S C 1.612 176.682 174.600 0.783 0.000 1.030 87 S CA 1.333 60.012 58.200 0.798 0.000 0.999 87 S CB -0.532 63.276 63.200 1.013 0.000 0.844 87 S HN 0.576 nan 8.310 nan 0.000 0.459 88 F N 0.225 120.384 119.950 0.348 0.000 2.234 88 F HA -0.046 4.480 4.527 -0.001 0.000 0.299 88 F C 2.121 178.145 175.800 0.373 0.000 1.087 88 F CA 0.458 58.656 58.000 0.331 0.000 1.340 88 F CB -0.205 38.932 39.000 0.229 0.000 1.031 88 F HN 0.175 nan 8.300 nan 0.000 0.500 89 F N 0.446 120.528 119.950 0.220 0.000 2.095 89 F HA -0.243 4.284 4.527 -0.001 0.000 0.298 89 F C 1.942 177.573 175.800 -0.281 0.000 1.104 89 F CA 1.406 59.330 58.000 -0.126 0.000 1.232 89 F CB -1.181 37.585 39.000 -0.390 0.000 0.987 89 F HN -0.098 nan 8.300 nan 0.000 0.475 90 F N -0.495 119.441 119.950 -0.023 0.000 2.186 90 F HA -0.204 4.322 4.527 -0.001 0.000 0.299 90 F C 2.631 178.340 175.800 -0.151 0.000 1.090 90 F CA 1.285 59.057 58.000 -0.380 0.000 1.307 90 F CB -0.879 37.701 39.000 -0.701 0.000 1.019 90 F HN -0.073 nan 8.300 nan 0.000 0.489 91 M N -0.363 119.533 119.600 0.493 0.000 2.065 91 M HA -0.227 4.252 4.480 -0.001 0.000 0.259 91 M C 2.184 178.717 176.300 0.388 0.000 1.069 91 M CA 1.640 57.268 55.300 0.546 0.000 1.110 91 M CB -0.582 32.194 32.600 0.293 0.000 1.328 91 M HN -0.039 nan 8.290 nan 0.000 0.405 92 V N -0.068 120.029 119.914 0.306 0.000 2.407 92 V HA -0.308 3.812 4.120 -0.001 0.000 0.248 92 V C 2.282 178.507 176.094 0.218 0.000 1.055 92 V CA 1.891 64.349 62.300 0.263 0.000 1.049 92 V CB -0.738 31.206 31.823 0.202 0.000 0.662 92 V HN 0.560 nan 8.190 nan 0.000 0.455 93 M N -0.691 118.970 119.600 0.102 0.000 2.086 93 M HA -0.158 4.321 4.480 -0.001 0.000 0.261 93 M C 2.108 178.489 176.300 0.136 0.000 1.067 93 M CA 2.099 57.407 55.300 0.013 0.000 1.116 93 M CB -0.200 32.249 32.600 -0.252 0.000 1.348 93 M HN 0.288 nan 8.290 nan 0.000 0.407 94 F N 0.499 120.568 119.950 0.198 0.000 2.126 94 F HA -0.249 4.278 4.527 -0.001 0.000 0.299 94 F C 2.256 178.137 175.800 0.135 0.000 1.096 94 F CA 1.594 59.680 58.000 0.143 0.000 1.255 94 F CB -0.990 38.149 39.000 0.233 0.000 0.997 94 F HN 0.190 nan 8.300 nan 0.000 0.479 95 M N -1.412 118.443 119.600 0.426 0.000 2.117 95 M HA -0.231 4.249 4.480 -0.001 0.000 0.262 95 M C 2.261 178.764 176.300 0.338 0.000 1.065 95 M CA 1.834 57.364 55.300 0.383 0.000 1.114 95 M CB -0.750 32.142 32.600 0.487 0.000 1.361 95 M HN 0.129 nan 8.290 nan 0.000 0.408 96 H N 0.374 119.572 119.070 0.212 0.000 2.353 96 H HA -0.075 4.481 4.556 -0.001 0.000 0.300 96 H C 1.848 177.252 175.328 0.126 0.000 1.090 96 H CA 2.036 58.173 56.048 0.149 0.000 1.327 96 H CB 0.035 29.863 29.762 0.110 0.000 1.383 96 H HN 0.261 nan 8.280 nan 0.000 0.508 97 M N -0.690 119.013 119.600 0.172 0.000 2.132 97 M HA -0.067 4.413 4.480 -0.001 0.000 0.263 97 M C 2.667 179.060 176.300 0.154 0.000 1.065 97 M CA 1.314 56.689 55.300 0.126 0.000 1.122 97 M CB -0.136 32.483 32.600 0.031 0.000 1.365 97 M HN 0.420 nan 8.290 nan 0.000 0.411 98 A N 0.679 123.566 122.820 0.113 0.000 1.883 98 A HA -0.201 4.119 4.320 -0.001 0.000 0.217 98 A C 2.247 179.843 177.584 0.019 0.000 1.186 98 A CA 1.797 53.884 52.037 0.083 0.000 0.624 98 A CB -0.713 18.298 19.000 0.019 0.000 0.822 98 A HN 0.331 nan 8.150 nan 0.000 0.444 99 K N 0.064 120.414 120.400 -0.084 0.000 2.113 99 K HA -0.162 4.157 4.320 -0.001 0.000 0.208 99 K C 1.986 178.556 176.600 -0.051 0.000 1.047 99 K CA 1.859 58.056 56.287 -0.151 0.000 0.928 99 K CB -0.900 31.506 32.500 -0.156 0.000 0.716 99 K HN 0.403 nan 8.250 nan 0.000 0.446 100 G N 1.434 110.227 108.800 -0.011 0.000 2.433 100 G HA2 -0.211 3.749 3.960 -0.001 0.000 0.216 100 G HA3 -0.211 3.749 3.960 -0.001 0.000 0.216 100 G C 1.552 176.495 174.900 0.073 0.000 1.186 100 G CA 0.651 45.794 45.100 0.071 0.000 0.779 100 G HN 0.215 nan 8.290 nan 0.000 0.543 101 L N -0.488 120.798 121.223 0.104 0.000 1.970 101 L HA -0.033 4.307 4.340 -0.001 0.000 0.212 101 L C 2.458 179.327 176.870 -0.002 0.000 1.071 101 L CA 1.458 56.351 54.840 0.088 0.000 0.751 101 L CB -1.390 40.761 42.059 0.154 0.000 0.889 101 L HN 0.345 nan 8.230 nan 0.000 0.432 102 Y N -0.509 119.577 120.300 -0.357 0.000 2.053 102 Y HA -0.345 4.204 4.550 -0.001 0.000 0.277 102 Y C 2.245 177.764 175.900 -0.635 0.000 1.159 102 Y CA 1.884 59.450 58.100 -0.890 0.000 1.125 102 Y CB -0.629 37.009 38.460 -1.369 0.000 0.969 102 Y HN 0.200 nan 8.280 nan 0.000 0.492 103 Y N 0.331 120.529 120.300 -0.170 0.000 2.553 103 Y HA 0.168 4.717 4.550 -0.001 0.000 0.303 103 Y C 1.745 177.505 175.900 -0.233 0.000 1.194 103 Y CA 0.269 58.276 58.100 -0.154 0.000 1.305 103 Y CB -0.430 38.042 38.460 0.020 0.000 1.045 103 Y HN 0.344 nan 8.280 nan 0.000 0.514 104 G N -0.141 108.531 108.800 -0.214 0.000 2.283 104 G HA2 -0.361 3.599 3.960 -0.001 0.000 0.280 104 G HA3 -0.361 3.599 3.960 -0.001 0.000 0.280 104 G C 1.047 175.519 174.900 -0.713 0.000 1.029 104 G CA 0.653 45.379 45.100 -0.624 0.000 0.840 104 G HN 0.440 nan 8.290 nan 0.000 0.505 105 S N -0.843 114.644 115.700 -0.355 0.000 2.442 105 S HA -0.118 4.352 4.470 -0.001 0.000 0.236 105 S C 1.935 176.361 174.600 -0.290 0.000 1.007 105 S CA 1.801 59.871 58.200 -0.215 0.000 0.965 105 S CB -0.380 62.787 63.200 -0.054 0.000 0.773 105 S HN 0.980 nan 8.310 nan 0.000 0.504 106 Y N 2.920 122.975 120.300 -0.407 0.000 2.352 106 Y HA 0.080 4.629 4.550 -0.001 0.000 0.292 106 Y C 1.335 177.009 175.900 -0.376 0.000 1.136 106 Y CA -0.198 57.542 58.100 -0.600 0.000 1.227 106 Y CB -0.651 36.929 38.460 -1.468 0.000 0.991 106 Y HN 0.169 nan 8.280 nan 0.000 0.545 107 R N 0.346 120.353 120.500 -0.820 0.000 2.502 107 R HA 0.549 4.889 4.340 -0.001 0.000 0.188 107 R C 1.009 177.108 176.300 -0.334 0.000 1.063 107 R CA -0.189 55.617 56.100 -0.491 0.000 1.174 107 R CB -0.840 29.126 30.300 -0.557 0.000 1.531 107 R HN 0.144 nan 8.270 nan 0.000 0.525 108 S N -0.616 114.910 115.700 -0.291 0.000 3.330 108 S HA -0.128 4.341 4.470 -0.001 0.000 0.630 108 S C -1.817 172.647 174.600 -0.226 0.000 2.776 108 S CA 0.606 58.663 58.200 -0.239 0.000 3.494 108 S CB -1.573 61.488 63.200 -0.231 0.000 0.291 108 S HN 0.870 nan 8.310 nan 0.000 1.451 109 P HA 0.224 nan 4.420 nan 0.000 0.261 109 P C 0.417 177.643 177.300 -0.123 0.000 1.268 109 P CA 0.328 63.242 63.100 -0.310 0.000 0.833 109 P CB -0.116 31.083 31.700 -0.835 0.000 1.231 110 R N 0.166 120.616 120.500 -0.083 0.000 2.391 110 R HA 0.097 4.436 4.340 -0.001 0.000 0.225 110 R C 1.642 178.004 176.300 0.103 0.000 1.079 110 R CA -0.169 55.959 56.100 0.046 0.000 1.147 110 R CB -0.484 29.830 30.300 0.025 0.000 1.103 110 R HN 0.032 nan 8.270 nan 0.000 0.499 111 V N -0.320 119.642 119.914 0.080 0.000 2.255 111 V HA -0.313 3.807 4.120 -0.001 0.000 0.247 111 V C 2.521 178.765 176.094 0.251 0.000 1.051 111 V CA 2.468 64.861 62.300 0.155 0.000 1.018 111 V CB -0.667 31.210 31.823 0.091 0.000 0.641 111 V HN 0.461 nan 8.190 nan 0.000 0.445 112 T N -0.195 114.474 114.554 0.191 0.000 2.759 112 T HA -0.230 4.119 4.350 -0.001 0.000 0.269 112 T C 1.890 176.712 174.700 0.205 0.000 1.042 112 T CA 2.020 64.230 62.100 0.183 0.000 1.140 112 T CB -0.334 68.620 68.868 0.143 0.000 0.864 112 T HN 0.268 nan 8.240 nan 0.000 0.455 113 L N 0.467 121.813 121.223 0.205 0.000 2.046 113 L HA 0.079 4.418 4.340 -0.001 0.000 0.208 113 L C 2.240 179.313 176.870 0.338 0.000 1.077 113 L CA 2.055 57.010 54.840 0.192 0.000 0.747 113 L CB -1.125 41.002 42.059 0.112 0.000 0.896 113 L HN 0.579 nan 8.230 nan 0.000 0.432 114 W N 0.370 121.761 121.300 0.153 0.000 2.354 114 W HA -0.256 4.404 4.660 -0.001 0.000 0.315 114 W C 2.175 178.786 176.519 0.154 0.000 1.206 114 W CA 1.589 59.031 57.345 0.162 0.000 1.290 114 W CB -0.267 29.280 29.460 0.145 0.000 1.152 114 W HN 0.312 nan 8.180 nan 0.000 0.489 115 N N 0.751 119.582 118.700 0.218 0.000 2.104 115 N HA -0.187 4.552 4.740 -0.001 0.000 0.190 115 N C 1.684 177.208 175.510 0.022 0.000 1.024 115 N CA 2.016 55.115 53.050 0.083 0.000 0.853 115 N CB -1.056 37.533 38.487 0.171 0.000 1.008 115 N HN 0.063 nan 8.380 nan 0.000 0.424 116 V N 0.817 120.790 119.914 0.100 0.000 2.343 116 V HA -0.145 3.975 4.120 -0.001 0.000 0.247 116 V C 2.402 178.498 176.094 0.003 0.000 1.051 116 V CA 1.994 64.351 62.300 0.095 0.000 1.036 116 V CB -1.217 30.727 31.823 0.201 0.000 0.654 116 V HN 0.371 nan 8.190 nan 0.000 0.451 117 G N -0.243 108.552 108.800 -0.009 0.000 2.440 117 G HA2 -0.226 3.733 3.960 -0.001 0.000 0.218 117 G HA3 -0.226 3.733 3.960 -0.001 0.000 0.218 117 G C 1.680 176.431 174.900 -0.250 0.000 1.154 117 G CA 1.284 46.252 45.100 -0.220 0.000 0.767 117 G HN 0.387 nan 8.290 nan 0.000 0.552 118 V N 1.066 120.790 119.914 -0.315 0.000 2.343 118 V HA -0.176 3.943 4.120 -0.001 0.000 0.247 118 V C 2.789 178.857 176.094 -0.044 0.000 1.051 118 V CA 1.617 63.787 62.300 -0.218 0.000 1.036 118 V CB -0.401 31.271 31.823 -0.251 0.000 0.654 118 V HN 0.403 nan 8.190 nan 0.000 0.451 119 I N -0.345 120.193 120.570 -0.054 0.000 2.163 119 I HA -0.297 3.873 4.170 -0.001 0.000 0.243 119 I C 2.295 178.386 176.117 -0.044 0.000 1.085 119 I CA 1.903 63.187 61.300 -0.028 0.000 1.347 119 I CB -0.337 37.655 38.000 -0.013 0.000 1.044 119 I HN 0.240 nan 8.210 nan 0.000 0.408 120 I N -0.108 120.419 120.570 -0.071 0.000 2.151 120 I HA -0.355 3.814 4.170 -0.001 0.000 0.243 120 I C 2.550 178.613 176.117 -0.090 0.000 1.080 120 I CA 1.553 62.790 61.300 -0.105 0.000 1.339 120 I CB -0.550 37.347 38.000 -0.173 0.000 1.039 120 I HN 0.186 nan 8.210 nan 0.000 0.409 121 F N 2.056 121.873 119.950 -0.221 0.000 2.091 121 F HA -0.286 4.240 4.527 -0.001 0.000 0.299 121 F C 2.599 178.310 175.800 -0.150 0.000 1.103 121 F CA 2.272 60.151 58.000 -0.203 0.000 1.228 121 F CB -0.947 37.950 39.000 -0.172 0.000 0.984 121 F HN -0.019 nan 8.300 nan 0.000 0.477 122 T N 1.428 115.861 114.554 -0.201 0.000 2.746 122 T HA -0.178 4.171 4.350 -0.001 0.000 0.267 122 T C 2.232 176.816 174.700 -0.193 0.000 1.039 122 T CA 1.722 63.668 62.100 -0.256 0.000 1.142 122 T CB -0.580 68.233 68.868 -0.091 0.000 0.866 122 T HN 0.248 nan 8.240 nan 0.000 0.444 123 L N 0.769 121.913 121.223 -0.131 0.000 2.083 123 L HA -0.125 4.214 4.340 -0.001 0.000 0.209 123 L C 2.885 179.677 176.870 -0.130 0.000 1.083 123 L CA 1.200 55.980 54.840 -0.100 0.000 0.752 123 L CB -0.947 41.065 42.059 -0.077 0.000 0.899 123 L HN 0.319 nan 8.230 nan 0.000 0.433 124 T N -0.049 114.378 114.554 -0.212 0.000 2.737 124 T HA -0.124 4.225 4.350 -0.001 0.000 0.265 124 T C 1.911 176.529 174.700 -0.136 0.000 1.038 124 T CA 1.229 63.158 62.100 -0.286 0.000 1.144 124 T CB -0.234 68.292 68.868 -0.569 0.000 0.866 124 T HN 0.188 nan 8.240 nan 0.000 0.434 125 I N 1.527 122.004 120.570 -0.154 0.000 2.335 125 I HA -0.223 3.947 4.170 -0.001 0.000 0.251 125 I C 2.898 179.003 176.117 -0.020 0.000 1.129 125 I CA 1.090 62.325 61.300 -0.107 0.000 1.402 125 I CB -0.526 37.227 38.000 -0.412 0.000 1.069 125 I HN 0.226 nan 8.210 nan 0.000 0.424 126 A N 0.702 123.506 122.820 -0.026 0.000 1.841 126 A HA -0.179 4.140 4.320 -0.001 0.000 0.214 126 A C 2.396 180.068 177.584 0.147 0.000 1.195 126 A CA 2.328 54.416 52.037 0.085 0.000 0.611 126 A CB -1.176 17.852 19.000 0.047 0.000 0.835 126 A HN 0.351 nan 8.150 nan 0.000 0.443 127 T N 0.836 115.435 114.554 0.074 0.000 2.624 127 T HA -0.205 4.144 4.350 -0.001 0.000 0.268 127 T C 2.164 177.003 174.700 0.231 0.000 1.041 127 T CA 2.185 64.356 62.100 0.118 0.000 1.159 127 T CB -0.667 68.203 68.868 0.003 0.000 0.863 127 T HN 0.638 nan 8.240 nan 0.000 0.434 128 A N 1.188 124.112 122.820 0.174 0.000 1.902 128 A HA -0.045 4.275 4.320 -0.001 0.000 0.217 128 A C 2.042 179.736 177.584 0.183 0.000 1.181 128 A CA 1.742 53.899 52.037 0.201 0.000 0.623 128 A CB -0.982 18.149 19.000 0.217 0.000 0.818 128 A HN 0.524 nan 8.150 nan 0.000 0.443 129 F N 0.773 120.757 119.950 0.056 0.000 2.102 129 F HA -0.155 4.371 4.527 -0.001 0.000 0.298 129 F C 1.819 177.647 175.800 0.047 0.000 1.105 129 F CA 1.760 59.786 58.000 0.043 0.000 1.239 129 F CB -0.569 38.420 39.000 -0.018 0.000 0.991 129 F HN 0.138 nan 8.300 nan 0.000 0.474 130 L N 0.358 121.285 121.223 -0.494 0.000 2.042 130 L HA -0.173 4.167 4.340 -0.001 0.000 0.210 130 L C 2.820 179.414 176.870 -0.460 0.000 1.076 130 L CA 1.481 55.980 54.840 -0.567 0.000 0.749 130 L CB -1.608 40.345 42.059 -0.176 0.000 0.893 130 L HN 0.425 nan 8.230 nan 0.000 0.432 131 G N -1.445 106.979 108.800 -0.627 0.000 2.402 131 G HA2 -0.326 3.633 3.960 -0.001 0.000 0.216 131 G HA3 -0.326 3.633 3.960 -0.001 0.000 0.216 131 G C 1.464 176.169 174.900 -0.325 0.000 1.162 131 G CA 0.409 44.854 45.100 -1.092 0.000 0.777 131 G HN 0.291 nan 8.290 nan 0.000 0.539 132 Y N 0.954 121.108 120.300 -0.242 0.000 2.256 132 Y HA -0.175 4.374 4.550 -0.001 0.000 0.288 132 Y C 2.785 178.625 175.900 -0.100 0.000 1.155 132 Y CA 0.832 58.870 58.100 -0.102 0.000 1.203 132 Y CB -0.422 38.034 38.460 -0.008 0.000 0.980 132 Y HN 0.256 nan 8.280 nan 0.000 0.530 133 C N -1.263 117.967 119.300 -0.116 0.000 2.435 133 C HA -0.194 4.266 4.460 -0.001 0.000 0.279 133 C C 2.886 177.883 174.990 0.010 0.000 1.321 133 C CA 1.063 60.049 59.018 -0.054 0.000 1.752 133 C CB -1.718 26.023 27.740 0.002 0.000 1.959 133 C HN 0.736 nan 8.230 nan 0.000 0.500 134 C N 0.360 119.636 119.300 -0.039 0.000 2.409 134 C HA -0.075 4.385 4.460 -0.001 0.000 0.284 134 C C 2.605 177.640 174.990 0.074 0.000 1.354 134 C CA 0.832 59.867 59.018 0.029 0.000 1.787 134 C CB -1.513 26.117 27.740 -0.183 0.000 1.900 134 C HN 0.560 nan 8.230 nan 0.000 0.520 135 V N -1.671 118.209 119.914 -0.056 0.000 2.515 135 V HA -0.145 3.975 4.120 -0.001 0.000 0.250 135 V C 1.268 177.445 176.094 0.138 0.000 1.058 135 V CA 1.415 63.678 62.300 -0.061 0.000 1.064 135 V CB -0.972 30.698 31.823 -0.256 0.000 0.675 135 V HN 0.587 nan 8.190 nan 0.000 0.461 136 Y N 0.831 121.115 120.300 -0.027 0.000 3.125 136 Y HA -0.141 4.408 4.550 -0.001 0.000 0.200 136 Y C 0.651 176.629 175.900 0.130 0.000 1.373 136 Y CA 0.237 58.358 58.100 0.036 0.000 1.180 136 Y CB -1.143 37.350 38.460 0.055 0.000 1.381 136 Y HN 0.267 nan 8.280 nan 0.000 0.501 137 G N 0.860 109.593 108.800 -0.113 0.000 2.552 137 G HA2 0.352 4.312 3.960 -0.001 0.000 0.318 137 G HA3 0.352 4.312 3.960 -0.001 0.000 0.318 137 G C 0.368 175.125 174.900 -0.237 0.000 1.240 137 G CA -0.152 44.922 45.100 -0.044 0.000 1.002 137 G HN 0.275 nan 8.290 nan 0.000 0.493 138 Q N -0.701 119.025 119.800 -0.123 0.000 2.077 138 Q HA -0.135 4.204 4.340 -0.001 0.000 0.206 138 Q C 2.708 178.758 176.000 0.084 0.000 0.989 138 Q CA 1.307 57.100 55.803 -0.016 0.000 0.853 138 Q CB -0.251 28.548 28.738 0.102 0.000 0.907 138 Q HN 0.466 nan 8.270 nan 0.000 0.418 139 M N 0.019 119.627 119.600 0.015 0.000 2.213 139 M HA -0.095 4.385 4.480 -0.001 0.000 0.263 139 M C 2.169 178.542 176.300 0.122 0.000 1.062 139 M CA 1.042 56.386 55.300 0.072 0.000 1.105 139 M CB -1.051 31.570 32.600 0.035 0.000 1.385 139 M HN 0.025 nan 8.290 nan 0.000 0.417 140 S N -0.498 115.136 115.700 -0.110 0.000 2.349 140 S HA -0.210 4.260 4.470 -0.001 0.000 0.216 140 S C 1.874 176.477 174.600 0.005 0.000 1.033 140 S CA 1.740 59.864 58.200 -0.126 0.000 1.021 140 S CB -0.632 62.431 63.200 -0.228 0.000 0.968 140 S HN 0.582 nan 8.310 nan 0.000 0.426 141 H N -0.336 118.550 119.070 -0.307 0.000 2.319 141 H HA -0.171 4.384 4.556 -0.001 0.000 0.297 141 H C 1.881 176.959 175.328 -0.418 0.000 1.097 141 H CA 2.252 58.043 56.048 -0.428 0.000 1.285 141 H CB -0.240 29.005 29.762 -0.861 0.000 1.368 141 H HN 0.487 nan 8.280 nan 0.000 0.495 142 W N -0.156 121.268 121.300 0.207 0.000 2.418 142 W HA 0.042 4.701 4.660 -0.001 0.000 0.292 142 W C 2.854 179.471 176.519 0.163 0.000 1.213 142 W CA 0.707 58.155 57.345 0.171 0.000 1.283 142 W CB -0.461 29.071 29.460 0.120 0.000 1.119 142 W HN 0.295 nan 8.180 nan 0.000 0.542 143 G N 0.420 109.422 108.800 0.336 0.000 2.418 143 G HA2 -0.198 3.761 3.960 -0.001 0.000 0.217 143 G HA3 -0.198 3.761 3.960 -0.001 0.000 0.217 143 G C 1.668 176.835 174.900 0.444 0.000 1.158 143 G CA 1.294 46.600 45.100 0.344 0.000 0.771 143 G HN 0.286 nan 8.290 nan 0.000 0.545 144 A N 0.329 123.416 122.820 0.445 0.000 1.908 144 A HA -0.037 4.282 4.320 -0.001 0.000 0.218 144 A C 2.532 180.397 177.584 0.467 0.000 1.181 144 A CA 2.516 54.895 52.037 0.570 0.000 0.627 144 A CB -0.991 18.187 19.000 0.297 0.000 0.818 144 A HN 0.303 nan 8.150 nan 0.000 0.445 145 T N -0.332 114.367 114.554 0.242 0.000 2.643 145 T HA -0.122 4.227 4.350 -0.001 0.000 0.264 145 T C 1.929 176.869 174.700 0.401 0.000 1.045 145 T CA 1.719 64.007 62.100 0.314 0.000 1.155 145 T CB -0.566 68.434 68.868 0.219 0.000 0.863 145 T HN 0.143 nan 8.240 nan 0.000 0.420 146 V N 1.465 121.577 119.914 0.330 0.000 2.287 146 V HA -0.167 3.952 4.120 -0.001 0.000 0.248 146 V C 2.399 178.574 176.094 0.135 0.000 1.053 146 V CA 1.637 64.079 62.300 0.236 0.000 1.027 146 V CB -0.674 31.273 31.823 0.206 0.000 0.646 146 V HN 0.472 nan 8.190 nan 0.000 0.447 147 I N 0.775 121.397 120.570 0.087 0.000 2.252 147 I HA -0.202 3.967 4.170 -0.001 0.000 0.245 147 I C 2.746 178.852 176.117 -0.018 0.000 1.102 147 I CA 1.902 63.126 61.300 -0.127 0.000 1.385 147 I CB -0.820 36.852 38.000 -0.548 0.000 1.064 147 I HN 0.506 nan 8.210 nan 0.000 0.414 148 T N -1.762 112.949 114.554 0.261 0.000 2.833 148 T HA -0.134 4.216 4.350 -0.001 0.000 0.269 148 T C 1.695 176.542 174.700 0.244 0.000 1.054 148 T CA 1.133 63.470 62.100 0.395 0.000 1.135 148 T CB -0.475 68.702 68.868 0.516 0.000 0.869 148 T HN 0.215 nan 8.240 nan 0.000 0.466 149 N N 0.806 119.622 118.700 0.193 0.000 2.520 149 N HA 0.047 4.786 4.740 -0.001 0.000 0.185 149 N C 1.385 176.900 175.510 0.008 0.000 1.068 149 N CA 0.258 53.377 53.050 0.115 0.000 0.911 149 N CB -0.352 38.261 38.487 0.209 0.000 0.961 149 N HN 0.267 nan 8.380 nan 0.000 0.446 150 L N -0.122 121.022 121.223 -0.133 0.000 2.187 150 L HA -0.089 4.250 4.340 -0.001 0.000 0.213 150 L C 1.332 178.003 176.870 -0.331 0.000 1.100 150 L CA 1.272 55.940 54.840 -0.286 0.000 0.765 150 L CB -0.821 40.939 42.059 -0.498 0.000 0.904 150 L HN 0.097 nan 8.230 nan 0.000 0.437 151 F N -1.203 118.769 119.950 0.038 0.000 2.661 151 F HA -0.029 4.498 4.527 -0.001 0.000 0.298 151 F C 2.485 178.273 175.800 -0.021 0.000 1.137 151 F CA 0.693 58.695 58.000 0.003 0.000 1.454 151 F CB -1.071 37.925 39.000 -0.006 0.000 1.103 151 F HN 0.154 nan 8.300 nan 0.000 0.577 152 S N -0.232 115.522 115.700 0.090 0.000 2.555 152 S HA 0.049 4.518 4.470 -0.001 0.000 0.230 152 S C 2.030 176.645 174.600 0.024 0.000 0.978 152 S CA 0.501 58.728 58.200 0.044 0.000 0.934 152 S CB -0.489 62.728 63.200 0.028 0.000 0.766 152 S HN 0.230 nan 8.310 nan 0.000 0.533 153 A N 0.968 123.801 122.820 0.022 0.000 2.067 153 A HA 0.324 4.643 4.320 -0.001 0.000 0.217 153 A C 0.719 178.300 177.584 -0.005 0.000 1.156 153 A CA 0.089 52.127 52.037 0.002 0.000 0.683 153 A CB -0.579 18.422 19.000 0.002 0.000 0.808 153 A HN 0.500 nan 8.150 nan 0.000 0.455 154 I N 1.121 121.706 120.570 0.025 0.000 2.664 154 I HA 0.091 4.260 4.170 -0.001 0.000 0.284 154 I C -1.143 174.958 176.117 -0.028 0.000 1.154 154 I CA -1.462 59.849 61.300 0.018 0.000 1.402 154 I CB 0.381 38.414 38.000 0.054 0.000 1.395 154 I HN 0.074 nan 8.210 nan 0.000 0.545 155 P HA -0.280 nan 4.420 nan 0.000 0.216 155 P C 1.144 178.188 177.300 -0.428 0.000 1.062 155 P CA 2.192 65.133 63.100 -0.265 0.000 0.995 155 P CB 0.033 31.639 31.700 -0.156 0.000 0.762 156 F N -2.345 117.603 119.950 -0.004 0.000 2.387 156 F HA 0.015 4.542 4.527 -0.001 0.000 0.278 156 F C 2.238 178.033 175.800 -0.008 0.000 1.010 156 F CA 0.524 58.520 58.000 -0.005 0.000 1.236 156 F CB -1.381 37.612 39.000 -0.011 0.000 1.137 156 F HN -0.281 nan 8.300 nan 0.000 0.604 157 V N -0.957 119.067 119.914 0.184 0.000 3.078 157 V HA 0.020 4.140 4.120 -0.001 0.000 0.265 157 V C 2.266 178.383 176.094 0.039 0.000 1.122 157 V CA 1.425 63.770 62.300 0.076 0.000 1.141 157 V CB -1.846 29.991 31.823 0.024 0.000 0.735 157 V HN 0.399 nan 8.190 nan 0.000 0.498 158 G N 1.658 110.483 108.800 0.041 0.000 2.679 158 G HA2 -0.409 3.550 3.960 -0.001 0.000 0.222 158 G HA3 -0.409 3.550 3.960 -0.001 0.000 0.222 158 G C 1.395 176.311 174.900 0.027 0.000 1.164 158 G CA 1.686 46.807 45.100 0.035 0.000 0.769 158 G HN 0.637 nan 8.290 nan 0.000 0.610 159 N N 0.624 119.335 118.700 0.019 0.000 2.409 159 N HA -0.053 4.687 4.740 -0.001 0.000 0.179 159 N C 1.375 176.892 175.510 0.012 0.000 1.032 159 N CA 1.067 54.122 53.050 0.008 0.000 0.898 159 N CB -0.090 38.414 38.487 0.028 0.000 0.971 159 N HN 0.281 nan 8.380 nan 0.000 0.441 160 D N 1.580 121.997 120.400 0.029 0.000 2.123 160 D HA -0.021 4.618 4.640 -0.001 0.000 0.200 160 D C 2.120 178.452 176.300 0.054 0.000 0.976 160 D CA 0.383 54.410 54.000 0.045 0.000 0.831 160 D CB -0.089 40.724 40.800 0.021 0.000 0.974 160 D HN 0.151 nan 8.370 nan 0.000 0.469 161 I N 0.991 121.566 120.570 0.007 0.000 2.264 161 I HA -0.184 3.985 4.170 -0.001 0.000 0.248 161 I C 2.419 178.586 176.117 0.083 0.000 1.111 161 I CA 0.714 62.023 61.300 0.016 0.000 1.382 161 I CB -1.207 36.767 38.000 -0.043 0.000 1.060 161 I HN -0.074 nan 8.210 nan 0.000 0.418 162 V N 1.456 121.343 119.914 -0.046 0.000 2.255 162 V HA -0.193 3.926 4.120 -0.001 0.000 0.243 162 V C 2.647 178.468 176.094 -0.455 0.000 1.038 162 V CA 2.013 64.120 62.300 -0.322 0.000 1.008 162 V CB -0.921 30.616 31.823 -0.476 0.000 0.645 162 V HN 0.552 nan 8.190 nan 0.000 0.449 163 S N -1.215 114.378 115.700 -0.179 0.000 2.507 163 S HA -0.239 4.230 4.470 -0.001 0.000 0.235 163 S C 1.568 176.291 174.600 0.205 0.000 0.988 163 S CA 1.241 59.504 58.200 0.104 0.000 0.944 163 S CB -0.723 62.627 63.200 0.249 0.000 0.762 163 S HN 0.748 nan 8.310 nan 0.000 0.526 164 W N 1.906 123.195 121.300 -0.019 0.000 2.441 164 W HA 0.252 4.911 4.660 -0.001 0.000 0.302 164 W C 1.710 178.248 176.519 0.031 0.000 1.191 164 W CA 0.530 57.881 57.345 0.011 0.000 1.327 164 W CB -0.378 29.070 29.460 -0.020 0.000 1.128 164 W HN 0.215 nan 8.180 nan 0.000 0.522 165 L N -0.408 120.841 121.223 0.044 0.000 2.012 165 L HA -0.248 4.092 4.340 -0.001 0.000 0.210 165 L C 2.408 179.292 176.870 0.024 0.000 1.073 165 L CA 1.439 56.238 54.840 -0.068 0.000 0.748 165 L CB -1.019 41.109 42.059 0.114 0.000 0.891 165 L HN 0.099 nan 8.230 nan 0.000 0.431 166 W N 0.001 121.289 121.300 -0.019 0.000 2.358 166 W HA 0.010 4.670 4.660 -0.001 0.000 0.303 166 W C 1.789 178.202 176.519 -0.176 0.000 1.208 166 W CA 1.279 58.564 57.345 -0.101 0.000 1.274 166 W CB -1.226 28.229 29.460 -0.009 0.000 1.138 166 W HN 0.375 nan 8.180 nan 0.000 0.515 167 G N 0.274 109.129 108.800 0.092 0.000 2.198 167 G HA2 0.077 4.036 3.960 -0.001 0.000 0.257 167 G HA3 0.077 4.036 3.960 -0.001 0.000 0.257 167 G C 0.372 175.258 174.900 -0.024 0.000 1.042 167 G CA 0.540 45.618 45.100 -0.035 0.000 0.791 167 G HN 0.745 nan 8.290 nan 0.000 0.502 168 G N -2.212 106.639 108.800 0.085 0.000 2.435 168 G HA2 0.552 4.512 3.960 -0.001 0.000 0.296 168 G HA3 0.552 4.512 3.960 -0.001 0.000 0.296 168 G C -0.014 175.027 174.900 0.235 0.000 1.240 168 G CA 0.131 45.193 45.100 -0.065 0.000 0.872 168 G HN 0.344 nan 8.290 nan 0.000 0.480 169 F N 1.653 121.672 119.950 0.115 0.000 2.776 169 F HA 0.465 4.991 4.527 -0.001 0.000 0.300 169 F C 1.497 177.317 175.800 0.034 0.000 1.116 169 F CA -0.148 57.938 58.000 0.145 0.000 1.375 169 F CB -0.195 38.849 39.000 0.073 0.000 1.109 169 F HN 0.690 nan 8.300 nan 0.000 0.585 170 S N -2.494 113.133 115.700 -0.122 0.000 2.656 170 S HA 0.402 4.871 4.470 -0.001 0.000 0.265 170 S C -1.090 172.887 174.600 -1.039 0.000 1.132 170 S CA -1.172 56.482 58.200 -0.910 0.000 0.819 170 S CB 0.957 63.899 63.200 -0.430 0.000 1.119 170 S HN -0.274 nan 8.310 nan 0.000 0.476 171 V N 2.915 122.054 119.914 -1.292 0.000 2.493 171 V HA 0.509 4.629 4.120 -0.001 0.000 0.292 171 V C 0.652 176.474 176.094 -0.454 0.000 1.016 171 V CA 1.241 63.020 62.300 -0.867 0.000 1.097 171 V CB -0.407 30.896 31.823 -0.868 0.000 0.947 171 V HN 1.177 nan 8.190 nan 0.000 0.479 172 S N 3.274 118.755 115.700 -0.365 0.000 2.790 172 S HA 0.294 4.764 4.470 -0.001 0.000 0.292 172 S C 0.962 175.381 174.600 -0.301 0.000 1.197 172 S CA -0.190 57.845 58.200 -0.275 0.000 0.851 172 S CB 1.108 64.171 63.200 -0.227 0.000 1.217 172 S HN 0.531 nan 8.310 nan 0.000 0.526 173 N N 1.650 120.186 118.700 -0.273 0.000 2.049 173 N HA -0.138 4.602 4.740 -0.001 0.000 0.198 173 N C -1.108 174.265 175.510 -0.227 0.000 1.030 173 N CA 2.268 55.166 53.050 -0.255 0.000 0.870 173 N CB -1.056 37.308 38.487 -0.204 0.000 1.045 173 N HN 0.382 nan 8.380 nan 0.000 0.434 174 P HA -0.088 nan 4.420 nan 0.000 0.216 174 P C 1.093 178.245 177.300 -0.247 0.000 1.153 174 P CA 1.741 64.727 63.100 -0.190 0.000 0.858 174 P CB -0.163 31.435 31.700 -0.171 0.000 0.789 175 T N -0.815 113.538 114.554 -0.334 0.000 2.821 175 T HA -0.087 4.263 4.350 -0.001 0.000 0.267 175 T C 1.676 175.947 174.700 -0.715 0.000 1.046 175 T CA 0.963 62.704 62.100 -0.599 0.000 1.139 175 T CB -0.619 67.890 68.868 -0.599 0.000 0.871 175 T HN -0.025 nan 8.240 nan 0.000 0.454 176 I N 1.494 121.823 120.570 -0.401 0.000 2.333 176 I HA -0.044 4.125 4.170 -0.001 0.000 0.246 176 I C 2.580 178.682 176.117 -0.024 0.000 1.106 176 I CA 1.169 62.346 61.300 -0.205 0.000 1.411 176 I CB -1.283 36.590 38.000 -0.210 0.000 1.082 176 I HN 0.320 nan 8.210 nan 0.000 0.420 177 Q N 0.580 120.344 119.800 -0.060 0.000 2.124 177 Q HA -0.205 4.134 4.340 -0.001 0.000 0.202 177 Q C 2.313 178.386 176.000 0.122 0.000 0.977 177 Q CA 1.560 57.393 55.803 0.050 0.000 0.850 177 Q CB -0.143 28.582 28.738 -0.023 0.000 0.901 177 Q HN 0.592 nan 8.270 nan 0.000 0.429 178 R N -0.635 119.883 120.500 0.030 0.000 2.093 178 R HA -0.050 4.289 4.340 -0.001 0.000 0.224 178 R C 1.721 178.184 176.300 0.273 0.000 1.101 178 R CA 1.031 57.185 56.100 0.090 0.000 0.979 178 R CB -0.405 29.896 30.300 0.001 0.000 0.877 178 R HN 0.063 nan 8.270 nan 0.000 0.441 179 F N 0.942 120.928 119.950 0.061 0.000 2.293 179 F HA -0.020 4.506 4.527 -0.001 0.000 0.300 179 F C 2.017 177.895 175.800 0.129 0.000 1.086 179 F CA -0.052 57.981 58.000 0.055 0.000 1.375 179 F CB -0.872 38.121 39.000 -0.012 0.000 1.045 179 F HN -0.007 nan 8.300 nan 0.000 0.516 180 F N 0.625 120.726 119.950 0.251 0.000 2.084 180 F HA -0.065 4.462 4.527 -0.001 0.000 0.296 180 F C 2.378 178.335 175.800 0.263 0.000 1.111 180 F CA 1.497 59.641 58.000 0.240 0.000 1.224 180 F CB -0.339 38.832 39.000 0.285 0.000 0.991 180 F HN -0.100 nan 8.300 nan 0.000 0.471 181 A N 0.725 123.551 122.820 0.010 0.000 1.892 181 A HA -0.209 4.110 4.320 -0.001 0.000 0.218 181 A C 2.004 179.562 177.584 -0.044 0.000 1.188 181 A CA 1.928 53.906 52.037 -0.098 0.000 0.631 181 A CB -1.202 17.804 19.000 0.011 0.000 0.822 181 A HN 0.434 nan 8.150 nan 0.000 0.447 182 L N -0.904 120.351 121.223 0.054 0.000 2.046 182 L HA -0.152 4.187 4.340 -0.001 0.000 0.208 182 L C 2.356 179.256 176.870 0.051 0.000 1.077 182 L CA 2.380 57.255 54.840 0.059 0.000 0.747 182 L CB -1.457 40.650 42.059 0.080 0.000 0.896 182 L HN 0.682 nan 8.230 nan 0.000 0.432 183 H N -2.098 116.942 119.070 -0.050 0.000 2.422 183 H HA -0.250 4.305 4.556 -0.001 0.000 0.298 183 H C 2.164 177.436 175.328 -0.093 0.000 1.098 183 H CA 1.849 57.855 56.048 -0.070 0.000 1.315 183 H CB -0.157 29.582 29.762 -0.038 0.000 1.382 183 H HN 0.435 nan 8.280 nan 0.000 0.523 184 Y N -0.583 119.520 120.300 -0.330 0.000 2.220 184 Y HA -0.135 4.415 4.550 -0.001 0.000 0.291 184 Y C 2.502 178.329 175.900 -0.122 0.000 1.129 184 Y CA 0.846 58.753 58.100 -0.321 0.000 1.161 184 Y CB 0.035 38.263 38.460 -0.387 0.000 0.997 184 Y HN 0.248 nan 8.280 nan 0.000 0.522 185 L N -0.489 120.844 121.223 0.183 0.000 1.976 185 L HA -0.207 4.132 4.340 -0.001 0.000 0.209 185 L C 2.220 179.173 176.870 0.139 0.000 1.071 185 L CA 1.716 56.679 54.840 0.204 0.000 0.746 185 L CB -0.847 41.265 42.059 0.089 0.000 0.890 185 L HN 0.173 nan 8.230 nan 0.000 0.432 186 V N 0.820 120.749 119.914 0.025 0.000 2.317 186 V HA -0.241 3.878 4.120 -0.001 0.000 0.251 186 V C -0.141 175.910 176.094 -0.072 0.000 1.065 186 V CA 2.253 64.545 62.300 -0.014 0.000 1.049 186 V CB -2.109 29.699 31.823 -0.025 0.000 0.651 186 V HN 0.367 nan 8.190 nan 0.000 0.450 187 P HA -0.167 nan 4.420 nan 0.000 0.216 187 P C 1.637 178.759 177.300 -0.296 0.000 1.153 187 P CA 1.662 64.574 63.100 -0.314 0.000 0.858 187 P CB -0.169 31.212 31.700 -0.531 0.000 0.789 188 F N -1.389 118.539 119.950 -0.036 0.000 2.186 188 F HA -0.113 4.414 4.527 -0.001 0.000 0.299 188 F C 2.268 178.055 175.800 -0.021 0.000 1.090 188 F CA 0.852 58.840 58.000 -0.020 0.000 1.307 188 F CB -0.851 38.147 39.000 -0.003 0.000 1.019 188 F HN -0.162 nan 8.300 nan 0.000 0.489 189 I N -0.020 120.631 120.570 0.135 0.000 2.226 189 I HA -0.297 3.872 4.170 -0.001 0.000 0.245 189 I C 2.266 178.400 176.117 0.029 0.000 1.100 189 I CA 1.251 62.594 61.300 0.072 0.000 1.374 189 I CB -0.462 37.566 38.000 0.047 0.000 1.057 189 I HN 0.121 nan 8.210 nan 0.000 0.413 190 I N 0.964 121.528 120.570 -0.010 0.000 2.163 190 I HA -0.315 3.854 4.170 -0.001 0.000 0.243 190 I C 2.909 179.018 176.117 -0.014 0.000 1.085 190 I CA 1.435 62.715 61.300 -0.033 0.000 1.347 190 I CB -0.645 37.317 38.000 -0.063 0.000 1.044 190 I HN 0.197 nan 8.210 nan 0.000 0.408 191 A N 1.056 123.870 122.820 -0.010 0.000 1.892 191 A HA -0.281 4.038 4.320 -0.001 0.000 0.218 191 A C 2.579 180.180 177.584 0.029 0.000 1.188 191 A CA 2.393 54.435 52.037 0.009 0.000 0.631 191 A CB -1.001 18.020 19.000 0.037 0.000 0.822 191 A HN 0.477 nan 8.150 nan 0.000 0.447 192 A N -0.945 121.903 122.820 0.046 0.000 1.865 192 A HA -0.193 4.127 4.320 -0.001 0.000 0.217 192 A C 2.187 179.793 177.584 0.038 0.000 1.191 192 A CA 2.180 54.242 52.037 0.042 0.000 0.623 192 A CB -0.537 18.492 19.000 0.047 0.000 0.826 192 A HN 0.459 nan 8.150 nan 0.000 0.444 193 M N -0.467 119.150 119.600 0.030 0.000 2.279 193 M HA -0.091 4.388 4.480 -0.001 0.000 0.264 193 M C 2.134 178.466 176.300 0.052 0.000 1.062 193 M CA 1.050 56.368 55.300 0.031 0.000 1.099 193 M CB -1.103 31.497 32.600 0.000 0.000 1.394 193 M HN 0.269 nan 8.290 nan 0.000 0.426 194 V N 0.361 120.299 119.914 0.041 0.000 2.453 194 V HA -0.224 3.895 4.120 -0.001 0.000 0.247 194 V C 2.332 178.500 176.094 0.122 0.000 1.048 194 V CA 1.303 63.647 62.300 0.074 0.000 1.049 194 V CB -0.427 31.416 31.823 0.034 0.000 0.672 194 V HN 0.358 nan 8.190 nan 0.000 0.457 195 I N -0.597 120.016 120.570 0.071 0.000 2.286 195 I HA -0.301 3.869 4.170 -0.001 0.000 0.248 195 I C 2.443 178.614 176.117 0.091 0.000 1.115 195 I CA 1.742 63.074 61.300 0.052 0.000 1.392 195 I CB -0.263 37.741 38.000 0.007 0.000 1.065 195 I HN 0.289 nan 8.210 nan 0.000 0.418 196 M N -0.741 118.920 119.600 0.102 0.000 2.175 196 M HA -0.211 4.268 4.480 -0.001 0.000 0.264 196 M C 2.414 178.811 176.300 0.162 0.000 1.063 196 M CA 1.591 56.958 55.300 0.113 0.000 1.119 196 M CB -0.722 31.936 32.600 0.096 0.000 1.377 196 M HN 0.237 nan 8.290 nan 0.000 0.415 197 H N 1.101 120.218 119.070 0.077 0.000 2.290 197 H HA -0.090 4.466 4.556 -0.001 0.000 0.298 197 H C 1.804 177.210 175.328 0.130 0.000 1.087 197 H CA 1.906 58.013 56.048 0.098 0.000 1.291 197 H CB -0.210 29.604 29.762 0.086 0.000 1.369 197 H HN 0.236 nan 8.280 nan 0.000 0.492 198 L N -0.588 120.740 121.223 0.175 0.000 2.083 198 L HA -0.209 4.130 4.340 -0.001 0.000 0.209 198 L C 2.613 179.616 176.870 0.223 0.000 1.083 198 L CA 1.462 56.409 54.840 0.178 0.000 0.752 198 L CB -0.423 41.774 42.059 0.230 0.000 0.899 198 L HN 0.409 nan 8.230 nan 0.000 0.433 199 M N -0.587 119.130 119.600 0.196 0.000 2.117 199 M HA -0.198 4.282 4.480 -0.001 0.000 0.262 199 M C 2.517 178.895 176.300 0.130 0.000 1.065 199 M CA 1.999 57.416 55.300 0.194 0.000 1.114 199 M CB -0.498 32.181 32.600 0.132 0.000 1.361 199 M HN 0.306 nan 8.290 nan 0.000 0.408 200 A N 0.200 123.069 122.820 0.082 0.000 1.930 200 A HA -0.137 4.182 4.320 -0.001 0.000 0.217 200 A C 2.092 179.688 177.584 0.021 0.000 1.175 200 A CA 1.283 53.348 52.037 0.047 0.000 0.627 200 A CB -0.774 18.264 19.000 0.063 0.000 0.815 200 A HN 0.455 nan 8.150 nan 0.000 0.443 201 L N -0.826 120.398 121.223 0.001 0.000 2.046 201 L HA -0.158 4.181 4.340 -0.001 0.000 0.208 201 L C 2.221 179.090 176.870 -0.002 0.000 1.077 201 L CA 2.769 57.604 54.840 -0.009 0.000 0.747 201 L CB -0.865 41.176 42.059 -0.030 0.000 0.896 201 L HN 0.582 nan 8.230 nan 0.000 0.432 202 H N -0.446 118.565 119.070 -0.099 0.000 2.518 202 H HA -0.097 4.458 4.556 -0.001 0.000 0.289 202 H C 2.007 177.217 175.328 -0.196 0.000 1.051 202 H CA 1.782 57.703 56.048 -0.210 0.000 1.280 202 H CB -0.126 29.427 29.762 -0.349 0.000 1.380 202 H HN 0.648 nan 8.280 nan 0.000 0.566 203 I N -3.155 117.293 120.570 -0.204 0.000 2.703 203 I HA 0.001 4.171 4.170 -0.001 0.000 0.259 203 I C 0.934 176.795 176.117 -0.426 0.000 1.151 203 I CA 1.174 62.264 61.300 -0.350 0.000 1.470 203 I CB -0.124 37.631 38.000 -0.408 0.000 1.112 203 I HN 0.147 nan 8.210 nan 0.000 0.437 204 H N 1.261 120.268 119.070 -0.105 0.000 2.755 204 H HA 0.473 5.029 4.556 -0.001 0.000 0.273 204 H C 0.984 176.246 175.328 -0.109 0.000 1.055 204 H CA 0.200 56.192 56.048 -0.094 0.000 1.191 204 H CB 0.694 30.420 29.762 -0.060 0.000 1.536 204 H HN 0.560 nan 8.280 nan 0.000 0.529 205 G N 0.685 109.450 108.800 -0.059 0.000 2.888 205 G HA2 -0.274 3.686 3.960 -0.001 0.000 0.441 205 G HA3 -0.274 3.686 3.960 -0.001 0.000 0.441 205 G C -0.058 174.835 174.900 -0.011 0.000 1.461 205 G CA -0.092 44.959 45.100 -0.082 0.000 0.897 205 G HN 0.322 nan 8.290 nan 0.000 0.547 206 S N -1.171 114.522 115.700 -0.012 0.000 2.624 206 S HA 0.686 5.156 4.470 -0.001 0.000 0.263 206 S C 0.964 175.610 174.600 0.077 0.000 1.287 206 S CA 0.713 58.967 58.200 0.089 0.000 0.990 206 S CB 1.245 64.528 63.200 0.138 0.000 0.950 206 S HN 1.428 nan 8.310 nan 0.000 0.561 207 S N 0.837 116.684 115.700 0.245 0.000 2.719 207 S HA 0.569 5.038 4.470 -0.001 0.000 0.285 207 S C -0.690 173.914 174.600 0.006 0.000 1.137 207 S CA -0.862 57.432 58.200 0.158 0.000 1.012 207 S CB 0.256 63.578 63.200 0.203 0.000 1.134 207 S HN 0.884 nan 8.310 nan 0.000 0.544 208 N N 0.125 118.757 118.700 -0.114 0.000 2.455 208 N HA 0.379 5.118 4.740 -0.001 0.000 0.278 208 N C -2.634 172.710 175.510 -0.276 0.000 1.291 208 N CA -1.606 51.137 53.050 -0.511 0.000 0.780 208 N CB 1.551 39.803 38.487 -0.391 0.000 1.520 208 N HN 0.251 nan 8.380 nan 0.000 0.486 209 P HA -0.106 nan 4.420 nan 0.000 0.219 209 P C 1.473 178.822 177.300 0.082 0.000 1.146 209 P CA 1.032 64.089 63.100 -0.073 0.000 0.808 209 P CB 0.324 31.995 31.700 -0.047 0.000 0.779 210 L N -1.633 119.585 121.223 -0.007 0.000 2.156 210 L HA 0.057 4.397 4.340 -0.001 0.000 0.208 210 L C 2.002 178.896 176.870 0.040 0.000 1.095 210 L CA 1.358 56.216 54.840 0.029 0.000 0.770 210 L CB -1.364 40.762 42.059 0.112 0.000 0.914 210 L HN 0.138 nan 8.230 nan 0.000 0.439 211 G N 0.897 109.716 108.800 0.032 0.000 2.157 211 G HA2 -0.256 3.704 3.960 -0.001 0.000 0.248 211 G HA3 -0.256 3.704 3.960 -0.001 0.000 0.248 211 G C 0.297 175.196 174.900 -0.000 0.000 0.979 211 G CA 0.430 45.541 45.100 0.019 0.000 0.650 211 G HN 0.460 nan 8.290 nan 0.000 0.529 212 I N -2.667 117.907 120.570 0.007 0.000 3.449 212 I HA 0.853 5.022 4.170 -0.001 0.000 0.294 212 I C 0.721 176.815 176.117 -0.038 0.000 1.163 212 I CA -0.574 60.718 61.300 -0.013 0.000 1.010 212 I CB 1.199 39.203 38.000 0.008 0.000 1.307 212 I HN 0.057 nan 8.210 nan 0.000 0.518 213 T N 0.503 115.030 114.554 -0.044 0.000 2.916 213 T HA 0.282 4.632 4.350 -0.001 0.000 0.303 213 T C 0.913 175.578 174.700 -0.057 0.000 1.025 213 T CA 0.398 62.466 62.100 -0.053 0.000 1.142 213 T CB 0.573 69.411 68.868 -0.050 0.000 0.947 213 T HN 0.854 nan 8.240 nan 0.000 0.544 214 G N 3.833 112.591 108.800 -0.069 0.000 2.719 214 G HA2 -0.043 3.916 3.960 -0.001 0.000 0.211 214 G HA3 -0.043 3.916 3.960 -0.001 0.000 0.211 214 G C 1.447 176.304 174.900 -0.070 0.000 1.140 214 G CA -0.179 44.872 45.100 -0.082 0.000 0.790 214 G HN 0.741 nan 8.290 nan 0.000 0.529 215 N N 0.853 119.516 118.700 -0.061 0.000 2.310 215 N HA -0.150 4.589 4.740 -0.001 0.000 0.193 215 N C 1.732 177.215 175.510 -0.045 0.000 1.001 215 N CA 0.890 53.909 53.050 -0.052 0.000 0.890 215 N CB -0.213 38.248 38.487 -0.043 0.000 0.972 215 N HN 0.276 nan 8.380 nan 0.000 0.445 216 L N -0.597 120.599 121.223 -0.044 0.000 2.418 216 L HA 0.094 4.433 4.340 -0.001 0.000 0.218 216 L C 0.100 176.947 176.870 -0.039 0.000 1.125 216 L CA 0.775 55.592 54.840 -0.038 0.000 0.835 216 L CB -0.068 41.970 42.059 -0.035 0.000 0.953 216 L HN -0.045 nan 8.230 nan 0.000 0.454 217 D N -0.193 120.178 120.400 -0.048 0.000 2.365 217 D HA 0.286 4.925 4.640 -0.001 0.000 0.235 217 D C -0.800 175.462 176.300 -0.062 0.000 1.368 217 D CA -0.420 53.550 54.000 -0.051 0.000 1.001 217 D CB 1.029 41.798 40.800 -0.052 0.000 1.364 217 D HN -0.184 nan 8.370 nan 0.000 0.577 218 R N 2.526 122.994 120.500 -0.053 0.000 2.892 218 R HA 0.758 5.097 4.340 -0.001 0.000 0.265 218 R C -0.204 176.075 176.300 -0.036 0.000 1.025 218 R CA -1.007 55.060 56.100 -0.054 0.000 0.982 218 R CB 1.390 31.661 30.300 -0.048 0.000 1.185 218 R HN 0.570 nan 8.270 nan 0.000 0.484 219 I N -1.722 118.841 120.570 -0.012 0.000 2.656 219 I HA 0.491 4.661 4.170 -0.001 0.000 0.292 219 I C -2.640 173.576 176.117 0.165 0.000 1.144 219 I CA -2.724 58.591 61.300 0.025 0.000 1.038 219 I CB 2.905 40.786 38.000 -0.198 0.000 1.244 219 I HN 0.232 nan 8.210 nan 0.000 0.420 220 P HA -0.027 nan 4.420 nan 0.000 0.266 220 P C 0.526 178.055 177.300 0.382 0.000 1.195 220 P CA -0.136 63.117 63.100 0.254 0.000 0.768 220 P CB 0.954 32.793 31.700 0.232 0.000 0.838 221 M N 3.243 123.018 119.600 0.291 0.000 2.106 221 M HA -0.165 4.314 4.480 -0.001 0.000 0.259 221 M C 1.104 177.664 176.300 0.433 0.000 1.068 221 M CA 1.580 57.096 55.300 0.359 0.000 1.100 221 M CB -0.976 31.747 32.600 0.205 0.000 1.351 221 M HN 0.398 nan 8.290 nan 0.000 0.404 222 H N 0.065 119.281 119.070 0.244 0.000 2.582 222 H HA 0.185 4.740 4.556 -0.001 0.000 0.345 222 H C 0.231 175.609 175.328 0.085 0.000 1.104 222 H CA 0.729 56.881 56.048 0.173 0.000 1.390 222 H CB 0.662 30.496 29.762 0.120 0.000 1.461 222 H HN 0.533 nan 8.280 nan 0.000 0.551 223 S N 3.344 118.481 115.700 -0.940 0.000 3.787 223 S HA -0.196 4.274 4.470 -0.001 0.000 0.321 223 S C -1.018 173.035 174.600 -0.911 0.000 1.119 223 S CA 1.576 59.239 58.200 -0.896 0.000 0.918 223 S CB -1.544 61.094 63.200 -0.937 0.000 0.913 223 S HN 0.841 nan 8.310 nan 0.000 0.506 224 Y N -2.002 118.272 120.300 -0.043 0.000 3.122 224 Y HA 0.235 4.784 4.550 -0.001 0.000 0.141 224 Y C 1.169 176.882 175.900 -0.312 0.000 0.952 224 Y CA 0.041 58.015 58.100 -0.210 0.000 1.885 224 Y CB -0.259 38.031 38.460 -0.282 0.000 1.325 224 Y HN 0.270 nan 8.280 nan 0.000 0.247 225 F N 0.331 120.422 119.950 0.235 0.000 2.512 225 F HA -0.041 4.486 4.527 -0.001 0.000 0.296 225 F C 1.896 177.765 175.800 0.114 0.000 1.110 225 F CA 0.582 58.666 58.000 0.139 0.000 1.446 225 F CB -0.031 39.033 39.000 0.107 0.000 1.092 225 F HN 0.111 nan 8.300 nan 0.000 0.554 226 I N -0.750 119.970 120.570 0.250 0.000 2.252 226 I HA -0.261 3.908 4.170 -0.001 0.000 0.245 226 I C 2.139 178.206 176.117 -0.084 0.000 1.102 226 I CA 1.675 63.038 61.300 0.105 0.000 1.385 226 I CB -1.194 36.916 38.000 0.183 0.000 1.064 226 I HN 0.089 nan 8.210 nan 0.000 0.414 227 F N 0.945 120.921 119.950 0.044 0.000 2.367 227 F HA -0.070 4.456 4.527 -0.001 0.000 0.298 227 F C 2.517 178.353 175.800 0.060 0.000 1.094 227 F CA 1.047 59.070 58.000 0.038 0.000 1.409 227 F CB -0.258 38.735 39.000 -0.011 0.000 1.064 227 F HN -0.005 nan 8.300 nan 0.000 0.528 228 K N 0.235 120.723 120.400 0.146 0.000 2.167 228 K HA -0.123 4.196 4.320 -0.001 0.000 0.203 228 K C 1.291 178.001 176.600 0.184 0.000 1.052 228 K CA 1.447 57.805 56.287 0.119 0.000 0.956 228 K CB -0.063 32.366 32.500 -0.118 0.000 0.735 228 K HN 0.041 nan 8.250 nan 0.000 0.451 229 D N 0.881 121.365 120.400 0.140 0.000 2.178 229 D HA -0.137 4.502 4.640 -0.001 0.000 0.202 229 D C 1.623 177.951 176.300 0.048 0.000 0.974 229 D CA 0.512 54.586 54.000 0.123 0.000 0.841 229 D CB 0.021 40.877 40.800 0.092 0.000 0.953 229 D HN 0.096 nan 8.370 nan 0.000 0.478 230 L N 0.133 121.349 121.223 -0.012 0.000 2.131 230 L HA -0.102 4.237 4.340 -0.001 0.000 0.210 230 L C 2.077 178.961 176.870 0.023 0.000 1.092 230 L CA 1.073 55.836 54.840 -0.128 0.000 0.759 230 L CB -0.315 41.655 42.059 -0.150 0.000 0.903 230 L HN -0.080 nan 8.230 nan 0.000 0.435 231 V N -0.517 119.515 119.914 0.197 0.000 2.261 231 V HA -0.308 3.811 4.120 -0.001 0.000 0.246 231 V C 2.592 178.810 176.094 0.206 0.000 1.047 231 V CA 2.228 64.686 62.300 0.263 0.000 1.015 231 V CB -0.996 30.994 31.823 0.278 0.000 0.642 231 V HN 0.721 nan 8.190 nan 0.000 0.446 232 T N -2.630 112.035 114.554 0.185 0.000 2.995 232 T HA -0.091 4.258 4.350 -0.001 0.000 0.269 232 T C 1.784 176.577 174.700 0.155 0.000 1.091 232 T CA 1.283 63.477 62.100 0.157 0.000 1.128 232 T CB -0.236 68.741 68.868 0.182 0.000 0.891 232 T HN 0.213 nan 8.240 nan 0.000 0.492 233 V N 0.673 120.615 119.914 0.047 0.000 2.270 233 V HA -0.043 4.076 4.120 -0.001 0.000 0.245 233 V C 2.315 178.448 176.094 0.064 0.000 1.043 233 V CA 1.675 63.955 62.300 -0.034 0.000 1.014 233 V CB -0.832 30.821 31.823 -0.284 0.000 0.645 233 V HN 0.465 nan 8.190 nan 0.000 0.447 234 F N -0.802 119.234 119.950 0.143 0.000 2.126 234 F HA -0.232 4.294 4.527 -0.001 0.000 0.299 234 F C 2.242 178.121 175.800 0.132 0.000 1.096 234 F CA 1.508 59.580 58.000 0.121 0.000 1.255 234 F CB -0.371 38.681 39.000 0.087 0.000 0.997 234 F HN 0.148 nan 8.300 nan 0.000 0.479 235 L N -0.215 121.196 121.223 0.313 0.000 2.017 235 L HA -0.226 4.113 4.340 -0.001 0.000 0.208 235 L C 2.193 179.212 176.870 0.249 0.000 1.073 235 L CA 1.600 56.578 54.840 0.230 0.000 0.745 235 L CB -1.103 41.055 42.059 0.166 0.000 0.894 235 L HN 0.169 nan 8.230 nan 0.000 0.432 236 F N -0.142 119.900 119.950 0.153 0.000 2.091 236 F HA -0.317 4.210 4.527 -0.001 0.000 0.299 236 F C 2.247 178.154 175.800 0.178 0.000 1.103 236 F CA 2.258 60.365 58.000 0.179 0.000 1.228 236 F CB -0.272 38.805 39.000 0.128 0.000 0.984 236 F HN 0.099 nan 8.300 nan 0.000 0.477 237 M N -0.191 119.496 119.600 0.145 0.000 2.086 237 M HA -0.212 4.267 4.480 -0.001 0.000 0.261 237 M C 2.376 178.687 176.300 0.020 0.000 1.067 237 M CA 1.451 56.769 55.300 0.029 0.000 1.116 237 M CB -0.893 31.822 32.600 0.191 0.000 1.348 237 M HN 0.336 nan 8.290 nan 0.000 0.407 238 L N 1.184 122.474 121.223 0.113 0.000 1.971 238 L HA -0.253 4.086 4.340 -0.001 0.000 0.215 238 L C 2.304 179.250 176.870 0.126 0.000 1.072 238 L CA 2.070 56.980 54.840 0.117 0.000 0.758 238 L CB -0.567 41.569 42.059 0.128 0.000 0.889 238 L HN 0.322 nan 8.230 nan 0.000 0.433 239 I N -0.240 120.421 120.570 0.152 0.000 2.335 239 I HA -0.325 3.845 4.170 -0.001 0.000 0.251 239 I C 2.544 178.868 176.117 0.344 0.000 1.129 239 I CA 0.949 62.418 61.300 0.282 0.000 1.402 239 I CB -0.304 37.899 38.000 0.338 0.000 1.069 239 I HN 0.349 nan 8.210 nan 0.000 0.424 240 L N 1.286 122.481 121.223 -0.048 0.000 2.072 240 L HA -0.048 4.291 4.340 -0.001 0.000 0.205 240 L C 2.624 179.446 176.870 -0.081 0.000 1.079 240 L CA 1.901 56.444 54.840 -0.494 0.000 0.752 240 L CB -0.705 40.790 42.059 -0.940 0.000 0.906 240 L HN 0.143 nan 8.230 nan 0.000 0.436 241 A N -0.253 122.597 122.820 0.050 0.000 1.917 241 A HA -0.225 4.094 4.320 -0.001 0.000 0.219 241 A C 2.288 180.066 177.584 0.323 0.000 1.182 241 A CA 2.187 54.367 52.037 0.239 0.000 0.633 241 A CB -1.010 18.101 19.000 0.184 0.000 0.819 241 A HN 0.504 nan 8.150 nan 0.000 0.448 242 L N -2.194 119.193 121.223 0.274 0.000 2.012 242 L HA -0.224 4.115 4.340 -0.001 0.000 0.210 242 L C 2.556 179.545 176.870 0.199 0.000 1.073 242 L CA 1.669 56.675 54.840 0.276 0.000 0.748 242 L CB -0.534 41.627 42.059 0.169 0.000 0.891 242 L HN 0.429 nan 8.230 nan 0.000 0.431 243 F N -1.058 118.972 119.950 0.133 0.000 2.128 243 F HA -0.158 4.368 4.527 -0.001 0.000 0.295 243 F C 2.383 178.166 175.800 -0.029 0.000 1.100 243 F CA 1.106 59.158 58.000 0.087 0.000 1.260 243 F CB -0.798 38.282 39.000 0.135 0.000 1.009 243 F HN -0.259 nan 8.300 nan 0.000 0.476 244 V N -0.809 119.168 119.914 0.106 0.000 2.469 244 V HA -0.303 3.816 4.120 -0.001 0.000 0.251 244 V C 1.832 177.695 176.094 -0.385 0.000 1.064 244 V CA 1.898 64.101 62.300 -0.162 0.000 1.066 244 V CB -0.722 30.936 31.823 -0.275 0.000 0.667 244 V HN 0.250 nan 8.190 nan 0.000 0.461 245 F N -2.790 117.081 119.950 -0.131 0.000 2.602 245 F HA 0.205 4.731 4.527 -0.001 0.000 0.284 245 F C 1.808 177.354 175.800 -0.423 0.000 1.111 245 F CA 0.430 58.240 58.000 -0.316 0.000 1.405 245 F CB 0.058 38.754 39.000 -0.507 0.000 1.121 245 F HN 0.055 nan 8.300 nan 0.000 0.603 246 Y N -2.660 117.698 120.300 0.097 0.000 2.430 246 Y HA 0.286 4.836 4.550 -0.001 0.000 0.248 246 Y C 1.105 176.950 175.900 -0.091 0.000 1.108 246 Y CA -0.014 58.080 58.100 -0.010 0.000 1.264 246 Y CB 0.921 39.365 38.460 -0.026 0.000 1.172 246 Y HN -0.194 nan 8.280 nan 0.000 0.520 247 S N 0.299 116.004 115.700 0.008 0.000 2.686 247 S HA 0.159 4.628 4.470 -0.001 0.000 0.223 247 S C -1.976 172.634 174.600 0.017 0.000 0.885 247 S CA -0.765 57.411 58.200 -0.040 0.000 1.115 247 S CB 0.132 63.221 63.200 -0.186 0.000 1.459 247 S HN 0.020 nan 8.310 nan 0.000 0.444 248 P HA -0.088 nan 4.420 nan 0.000 0.218 248 P C 0.455 177.720 177.300 -0.058 0.000 1.146 248 P CA 1.242 64.123 63.100 -0.365 0.000 0.813 248 P CB 0.057 30.936 31.700 -1.368 0.000 0.778 249 N N -1.816 116.912 118.700 0.048 0.000 2.177 249 N HA 0.054 4.793 4.740 -0.001 0.000 0.218 249 N C 1.171 176.812 175.510 0.219 0.000 1.182 249 N CA 0.178 53.361 53.050 0.223 0.000 0.882 249 N CB 0.111 38.757 38.487 0.265 0.000 1.052 249 N HN 0.060 nan 8.380 nan 0.000 0.519 250 T N 1.447 116.121 114.554 0.201 0.000 2.720 250 T HA -0.005 4.344 4.350 -0.001 0.000 0.268 250 T C 1.906 176.737 174.700 0.218 0.000 1.037 250 T CA 0.839 63.054 62.100 0.191 0.000 1.144 250 T CB -0.002 68.993 68.868 0.211 0.000 0.864 250 T HN 0.189 nan 8.240 nan 0.000 0.444 251 L N 0.522 121.917 121.223 0.287 0.000 2.610 251 L HA 0.213 4.553 4.340 -0.001 0.000 0.232 251 L C 1.545 178.621 176.870 0.342 0.000 1.149 251 L CA -0.333 54.675 54.840 0.279 0.000 0.872 251 L CB -0.473 41.775 42.059 0.316 0.000 0.992 251 L HN 0.215 nan 8.230 nan 0.000 0.447 252 G N -2.115 106.874 108.800 0.316 0.000 2.642 252 G HA2 0.280 4.239 3.960 -0.001 0.000 0.291 252 G HA3 0.280 4.239 3.960 -0.001 0.000 0.291 252 G C -1.428 173.662 174.900 0.316 0.000 1.345 252 G CA -0.374 44.929 45.100 0.339 0.000 1.043 252 G HN 0.203 nan 8.290 nan 0.000 0.528 253 H N -0.614 118.602 119.070 0.243 0.000 2.529 253 H HA 0.416 4.972 4.556 -0.001 0.000 0.348 253 H C -1.644 173.832 175.328 0.247 0.000 1.079 253 H CA -1.730 54.442 56.048 0.206 0.000 1.198 253 H CB 2.736 32.607 29.762 0.181 0.000 1.521 253 H HN 0.152 nan 8.280 nan 0.000 0.514 254 P HA -0.165 nan 4.420 nan 0.000 0.216 254 P C 0.867 178.461 177.300 0.489 0.000 1.150 254 P CA 1.016 64.360 63.100 0.406 0.000 0.837 254 P CB 0.329 32.147 31.700 0.197 0.000 0.786 255 D N -1.041 119.727 120.400 0.614 0.000 2.228 255 D HA -0.151 4.488 4.640 -0.001 0.000 0.203 255 D C 1.147 177.581 176.300 0.224 0.000 0.988 255 D CA 0.998 55.197 54.000 0.332 0.000 0.864 255 D CB -0.864 40.050 40.800 0.189 0.000 0.928 255 D HN 0.121 nan 8.370 nan 0.000 0.469 256 N N -0.696 118.134 118.700 0.217 0.000 2.466 256 N HA -0.054 4.686 4.740 -0.001 0.000 0.211 256 N C -0.142 175.396 175.510 0.047 0.000 1.256 256 N CA 0.175 53.267 53.050 0.070 0.000 0.840 256 N CB -0.269 38.196 38.487 -0.037 0.000 1.079 256 N HN 0.259 nan 8.380 nan 0.000 0.466 257 Y N -1.213 119.258 120.300 0.285 0.000 2.626 257 Y HA 0.399 4.949 4.550 -0.001 0.000 0.248 257 Y C -0.294 175.845 175.900 0.399 0.000 1.147 257 Y CA -0.377 57.950 58.100 0.378 0.000 1.219 257 Y CB 0.787 39.388 38.460 0.235 0.000 1.279 257 Y HN -0.050 nan 8.280 nan 0.000 0.541 258 I N 1.545 122.295 120.570 0.300 0.000 2.389 258 I HA 0.356 4.525 4.170 -0.001 0.000 0.288 258 I C -2.526 173.417 176.117 -0.290 0.000 0.999 258 I CA -2.467 58.829 61.300 -0.006 0.000 1.129 258 I CB 1.661 39.680 38.000 0.031 0.000 1.288 258 I HN -0.194 nan 8.210 nan 0.000 0.444 259 P HA -0.009 nan 4.420 nan 0.000 0.267 259 P C 0.275 177.292 177.300 -0.470 0.000 1.201 259 P CA -0.064 62.531 63.100 -0.843 0.000 0.775 259 P CB 0.445 31.705 31.700 -0.734 0.000 0.854 260 G N 1.438 109.852 108.800 -0.643 0.000 2.484 260 G HA2 0.191 4.150 3.960 -0.001 0.000 0.235 260 G HA3 0.191 4.150 3.960 -0.001 0.000 0.235 260 G C -0.271 174.329 174.900 -0.499 0.000 1.282 260 G CA 0.152 44.757 45.100 -0.825 0.000 0.857 260 G HN 0.564 nan 8.290 nan 0.000 0.571 261 N N 1.579 120.018 118.700 -0.434 0.000 2.549 261 N HA 0.329 5.068 4.740 -0.001 0.000 0.290 261 N C -2.186 173.203 175.510 -0.202 0.000 1.122 261 N CA -1.994 50.921 53.050 -0.224 0.000 0.885 261 N CB 2.477 40.937 38.487 -0.045 0.000 1.455 261 N HN -0.012 nan 8.380 nan 0.000 0.521 262 P HA 0.032 nan 4.420 nan 0.000 0.222 262 P C 0.757 178.241 177.300 0.306 0.000 1.147 262 P CA 1.020 64.031 63.100 -0.149 0.000 0.790 262 P CB 0.369 32.009 31.700 -0.100 0.000 0.780 263 L N -2.493 118.853 121.223 0.205 0.000 2.607 263 L HA 0.181 4.520 4.340 -0.001 0.000 0.228 263 L C 0.035 176.987 176.870 0.136 0.000 1.123 263 L CA -0.050 54.892 54.840 0.169 0.000 0.890 263 L CB 0.318 42.425 42.059 0.080 0.000 1.103 263 L HN -0.273 nan 8.230 nan 0.000 0.468 264 V N -0.653 119.389 119.914 0.214 0.000 2.610 264 V HA 0.230 4.350 4.120 -0.001 0.000 0.298 264 V C -0.397 175.617 176.094 -0.134 0.000 1.067 264 V CA -0.366 61.951 62.300 0.028 0.000 0.894 264 V CB 1.918 33.764 31.823 0.039 0.000 1.015 264 V HN 0.003 nan 8.190 nan 0.000 0.432 265 T N 6.705 120.905 114.554 -0.588 0.000 2.743 265 T HA 0.438 4.787 4.350 -0.001 0.000 0.292 265 T C -2.423 172.034 174.700 -0.405 0.000 0.972 265 T CA -1.094 60.387 62.100 -1.030 0.000 0.967 265 T CB 1.408 69.499 68.868 -1.295 0.000 0.926 265 T HN 0.398 nan 8.240 nan 0.000 0.459 266 P HA 0.142 nan 4.420 nan 0.000 0.264 266 P C 0.525 177.792 177.300 -0.055 0.000 1.183 266 P CA -0.159 62.903 63.100 -0.064 0.000 0.763 266 P CB 0.468 32.182 31.700 0.024 0.000 0.807 267 A N 2.606 125.419 122.820 -0.011 0.000 2.125 267 A HA -0.114 4.205 4.320 -0.001 0.000 0.219 267 A C 1.641 179.263 177.584 0.063 0.000 1.156 267 A CA 1.706 53.755 52.037 0.020 0.000 0.671 267 A CB -0.917 18.106 19.000 0.039 0.000 0.794 267 A HN 0.564 nan 8.150 nan 0.000 0.459 268 S N -0.737 115.012 115.700 0.083 0.000 2.597 268 S HA 0.298 4.768 4.470 -0.001 0.000 0.224 268 S C 0.461 175.171 174.600 0.183 0.000 0.955 268 S CA -0.467 57.810 58.200 0.129 0.000 0.933 268 S CB -0.629 62.665 63.200 0.157 0.000 0.788 268 S HN 0.518 nan 8.310 nan 0.000 0.488 269 I N 2.548 123.167 120.570 0.082 0.000 2.741 269 I HA 0.153 4.323 4.170 -0.001 0.000 0.288 269 I C -1.250 174.892 176.117 0.041 0.000 1.192 269 I CA 0.345 61.663 61.300 0.030 0.000 1.426 269 I CB 0.402 38.392 38.000 -0.016 0.000 1.367 269 I HN 0.058 nan 8.210 nan 0.000 0.563 270 V N 7.590 127.521 119.914 0.028 0.000 2.891 270 V HA 0.360 4.479 4.120 -0.001 0.000 0.304 270 V C -2.234 173.777 176.094 -0.139 0.000 1.171 270 V CA -1.206 61.068 62.300 -0.044 0.000 0.943 270 V CB 1.783 33.657 31.823 0.085 0.000 1.037 270 V HN 0.693 nan 8.190 nan 0.000 0.427 271 P HA 0.211 nan 4.420 nan 0.000 0.271 271 P C -0.504 176.593 177.300 -0.338 0.000 1.244 271 P CA -0.333 62.520 63.100 -0.410 0.000 0.793 271 P CB 0.464 31.791 31.700 -0.623 0.000 0.984 272 E N 0.403 120.292 120.200 -0.519 0.000 2.404 272 E HA -0.041 4.308 4.350 -0.001 0.000 0.261 272 E C 1.191 177.377 176.600 -0.690 0.000 1.074 272 E CA -0.123 55.867 56.400 -0.682 0.000 0.917 272 E CB -0.096 28.906 29.700 -1.163 0.000 0.965 272 E HN 0.549 nan 8.360 nan 0.000 0.433 273 W N 3.314 124.307 121.300 -0.512 0.000 2.318 273 W HA -0.340 4.319 4.660 -0.001 0.000 0.313 273 W C 1.119 177.465 176.519 -0.289 0.000 1.221 273 W CA 1.410 58.564 57.345 -0.318 0.000 1.266 273 W CB -1.016 28.364 29.460 -0.132 0.000 1.150 273 W HN 0.743 nan 8.180 nan 0.000 0.496 274 Y N 0.161 119.839 120.300 -1.037 0.000 2.639 274 Y HA 0.155 4.704 4.550 -0.001 0.000 0.297 274 Y C 2.151 177.868 175.900 -0.305 0.000 1.151 274 Y CA 0.703 58.301 58.100 -0.836 0.000 1.335 274 Y CB -1.435 36.104 38.460 -1.534 0.000 0.994 274 Y HN -0.039 nan 8.280 nan 0.000 0.548 275 L N -0.556 120.450 121.223 -0.362 0.000 2.590 275 L HA 0.107 4.447 4.340 -0.001 0.000 0.227 275 L C 2.033 178.892 176.870 -0.018 0.000 1.099 275 L CA 0.004 54.800 54.840 -0.074 0.000 0.872 275 L CB -0.166 41.754 42.059 -0.231 0.000 1.088 275 L HN 0.257 nan 8.230 nan 0.000 0.479 276 L N 0.880 122.026 121.223 -0.129 0.000 1.978 276 L HA -0.213 4.126 4.340 -0.001 0.000 0.218 276 L C -0.165 176.613 176.870 -0.153 0.000 1.075 276 L CA 2.017 56.808 54.840 -0.081 0.000 0.767 276 L CB -1.794 40.209 42.059 -0.094 0.000 0.890 276 L HN 0.219 nan 8.230 nan 0.000 0.434 277 P HA -0.200 nan 4.420 nan 0.000 0.216 277 P C 1.434 178.376 177.300 -0.596 0.000 1.150 277 P CA 1.668 64.334 63.100 -0.723 0.000 0.843 277 P CB -0.056 30.779 31.700 -1.440 0.000 0.787 278 F N -2.847 117.025 119.950 -0.131 0.000 2.163 278 F HA -0.132 4.394 4.527 -0.001 0.000 0.297 278 F C 2.504 178.258 175.800 -0.077 0.000 1.094 278 F CA 0.860 58.795 58.000 -0.107 0.000 1.290 278 F CB -1.308 37.642 39.000 -0.083 0.000 1.017 278 F HN -0.126 nan 8.300 nan 0.000 0.483 279 Y N 1.292 121.571 120.300 -0.035 0.000 2.207 279 Y HA -0.257 4.292 4.550 -0.001 0.000 0.287 279 Y C 2.287 178.131 175.900 -0.094 0.000 1.156 279 Y CA 0.953 59.008 58.100 -0.076 0.000 1.182 279 Y CB -0.765 37.638 38.460 -0.096 0.000 0.979 279 Y HN 0.000 nan 8.280 nan 0.000 0.521 280 A N 0.469 123.213 122.820 -0.127 0.000 1.902 280 A HA -0.157 4.162 4.320 -0.001 0.000 0.217 280 A C 2.353 179.817 177.584 -0.201 0.000 1.181 280 A CA 1.935 53.833 52.037 -0.231 0.000 0.623 280 A CB -1.071 17.806 19.000 -0.205 0.000 0.818 280 A HN 0.573 nan 8.150 nan 0.000 0.443 281 I N -0.738 119.738 120.570 -0.157 0.000 2.142 281 I HA -0.242 3.927 4.170 -0.001 0.000 0.240 281 I C 2.527 178.611 176.117 -0.055 0.000 1.078 281 I CA 1.549 62.799 61.300 -0.083 0.000 1.343 281 I CB -0.358 37.603 38.000 -0.064 0.000 1.046 281 I HN 0.453 nan 8.210 nan 0.000 0.405 282 L N 0.837 122.016 121.223 -0.073 0.000 2.043 282 L HA -0.252 4.087 4.340 -0.001 0.000 0.212 282 L C 2.706 179.505 176.870 -0.118 0.000 1.075 282 L CA 1.668 56.463 54.840 -0.075 0.000 0.752 282 L CB -0.323 41.688 42.059 -0.080 0.000 0.891 282 L HN 0.086 nan 8.230 nan 0.000 0.432 283 R N -1.014 119.351 120.500 -0.225 0.000 2.148 283 R HA -0.095 4.244 4.340 -0.001 0.000 0.227 283 R C 2.232 178.455 176.300 -0.128 0.000 1.103 283 R CA 1.298 57.254 56.100 -0.239 0.000 0.983 283 R CB -0.058 29.987 30.300 -0.425 0.000 0.874 283 R HN 0.392 nan 8.270 nan 0.000 0.451 284 S N -0.018 115.627 115.700 -0.091 0.000 2.453 284 S HA 0.060 4.529 4.470 -0.001 0.000 0.231 284 S C 0.550 175.145 174.600 -0.008 0.000 1.005 284 S CA 0.430 58.610 58.200 -0.034 0.000 0.949 284 S CB 0.171 63.367 63.200 -0.006 0.000 0.774 284 S HN 0.132 nan 8.310 nan 0.000 0.510 285 I N 3.536 124.100 120.570 -0.010 0.000 2.312 285 I HA 0.223 4.392 4.170 -0.001 0.000 0.291 285 I C -2.119 173.993 176.117 -0.009 0.000 1.031 285 I CA -2.542 58.760 61.300 0.002 0.000 1.293 285 I CB 0.492 38.498 38.000 0.010 0.000 1.403 285 I HN -0.049 nan 8.210 nan 0.000 0.484 286 P HA 0.173 nan 4.420 nan 0.000 0.235 286 P C -0.585 176.713 177.300 -0.002 0.000 1.725 286 P CA 0.211 63.308 63.100 -0.005 0.000 0.894 286 P CB 0.003 31.702 31.700 -0.002 0.000 1.704 287 D N -0.876 119.523 120.400 -0.003 0.000 2.859 287 D HA 0.144 4.784 4.640 -0.001 0.000 0.223 287 D C 0.974 177.273 176.300 -0.001 0.000 1.218 287 D CA -0.748 53.251 54.000 -0.001 0.000 0.850 287 D CB 2.004 42.804 40.800 -0.000 0.000 1.656 287 D HN -0.298 nan 8.370 nan 0.000 0.484 288 K N 2.266 122.666 120.400 0.000 0.000 1.965 288 K HA -0.130 4.189 4.320 -0.001 0.000 0.214 288 K C 1.790 178.392 176.600 0.004 0.000 1.046 288 K CA 1.242 57.530 56.287 0.002 0.000 0.944 288 K CB -0.228 32.275 32.500 0.004 0.000 0.726 288 K HN 0.449 nan 8.250 nan 0.000 0.441 289 L N 1.752 122.975 121.223 0.001 0.000 1.990 289 L HA -0.200 4.139 4.340 -0.001 0.000 0.213 289 L C 2.124 179.005 176.870 0.017 0.000 1.072 289 L CA 1.691 56.534 54.840 0.005 0.000 0.755 289 L CB -0.582 41.473 42.059 -0.007 0.000 0.889 289 L HN 0.326 nan 8.230 nan 0.000 0.432 290 L N -0.866 120.364 121.223 0.011 0.000 2.042 290 L HA -0.168 4.172 4.340 -0.001 0.000 0.210 290 L C 2.557 179.442 176.870 0.025 0.000 1.076 290 L CA 1.340 56.189 54.840 0.015 0.000 0.749 290 L CB -1.524 40.539 42.059 0.006 0.000 0.893 290 L HN 0.506 nan 8.230 nan 0.000 0.432 291 G N -0.056 108.753 108.800 0.016 0.000 2.476 291 G HA2 -0.288 3.671 3.960 -0.001 0.000 0.218 291 G HA3 -0.288 3.671 3.960 -0.001 0.000 0.218 291 G C 1.701 176.614 174.900 0.023 0.000 1.164 291 G CA 1.271 46.377 45.100 0.011 0.000 0.768 291 G HN 0.333 nan 8.290 nan 0.000 0.560 292 V N 0.052 119.986 119.914 0.034 0.000 2.379 292 V HA 0.008 4.127 4.120 -0.001 0.000 0.245 292 V C 2.599 178.803 176.094 0.184 0.000 1.044 292 V CA 1.589 63.931 62.300 0.070 0.000 1.036 292 V CB -0.343 31.523 31.823 0.071 0.000 0.664 292 V HN 0.396 nan 8.190 nan 0.000 0.453 293 I N 1.015 121.672 120.570 0.145 0.000 2.226 293 I HA -0.200 3.970 4.170 -0.001 0.000 0.245 293 I C 2.684 178.906 176.117 0.176 0.000 1.100 293 I CA 2.153 63.552 61.300 0.165 0.000 1.374 293 I CB -0.675 37.374 38.000 0.082 0.000 1.057 293 I HN 0.350 nan 8.210 nan 0.000 0.413 294 T N 0.692 115.320 114.554 0.122 0.000 2.788 294 T HA -0.235 4.115 4.350 -0.001 0.000 0.268 294 T C 1.817 176.683 174.700 0.277 0.000 1.044 294 T CA 1.556 63.745 62.100 0.148 0.000 1.139 294 T CB -0.226 68.695 68.868 0.089 0.000 0.867 294 T HN 0.364 nan 8.240 nan 0.000 0.454 295 M N 0.153 119.845 119.600 0.155 0.000 2.077 295 M HA -0.024 4.456 4.480 -0.001 0.000 0.261 295 M C 1.797 178.118 176.300 0.035 0.000 1.070 295 M CA 1.763 57.104 55.300 0.069 0.000 1.125 295 M CB -0.327 32.209 32.600 -0.106 0.000 1.339 295 M HN 0.180 nan 8.290 nan 0.000 0.409 296 F N 0.604 120.599 119.950 0.075 0.000 2.161 296 F HA -0.184 4.342 4.527 -0.001 0.000 0.300 296 F C 2.558 178.431 175.800 0.122 0.000 1.089 296 F CA 1.401 59.427 58.000 0.044 0.000 1.282 296 F CB -0.664 38.344 39.000 0.012 0.000 1.010 296 F HN 0.317 nan 8.300 nan 0.000 0.485 297 A N 0.057 123.098 122.820 0.368 0.000 1.908 297 A HA -0.154 4.166 4.320 -0.001 0.000 0.218 297 A C 2.379 180.256 177.584 0.489 0.000 1.181 297 A CA 1.684 53.961 52.037 0.400 0.000 0.627 297 A CB -1.316 17.913 19.000 0.381 0.000 0.818 297 A HN 0.323 nan 8.150 nan 0.000 0.445 298 A N -0.449 122.666 122.820 0.491 0.000 2.024 298 A HA -0.098 4.222 4.320 -0.001 0.000 0.220 298 A C 2.076 179.868 177.584 0.346 0.000 1.164 298 A CA 1.654 53.831 52.037 0.233 0.000 0.643 298 A CB -0.517 18.535 19.000 0.087 0.000 0.806 298 A HN 0.548 nan 8.150 nan 0.000 0.451 299 I N -1.176 119.551 120.570 0.261 0.000 2.385 299 I HA -0.103 4.067 4.170 -0.001 0.000 0.244 299 I C 2.181 178.402 176.117 0.172 0.000 1.089 299 I CA 0.627 62.061 61.300 0.223 0.000 1.410 299 I CB -0.272 37.757 38.000 0.047 0.000 1.117 299 I HN 0.226 nan 8.210 nan 0.000 0.429 300 L N 0.250 121.573 121.223 0.166 0.000 2.191 300 L HA -0.165 4.175 4.340 -0.001 0.000 0.212 300 L C 2.488 179.396 176.870 0.064 0.000 1.103 300 L CA 0.646 55.557 54.840 0.119 0.000 0.769 300 L CB -0.461 41.679 42.059 0.135 0.000 0.908 300 L HN 0.141 nan 8.230 nan 0.000 0.438 301 V N 0.016 119.962 119.914 0.053 0.000 3.140 301 V HA -0.223 3.896 4.120 -0.001 0.000 0.269 301 V C 2.172 178.043 176.094 -0.371 0.000 1.149 301 V CA 1.036 63.283 62.300 -0.088 0.000 1.162 301 V CB -0.078 31.730 31.823 -0.026 0.000 0.756 301 V HN 0.283 nan 8.190 nan 0.000 0.523 302 L N -0.599 120.469 121.223 -0.259 0.000 2.275 302 L HA 0.003 4.342 4.340 -0.001 0.000 0.215 302 L C 2.045 179.023 176.870 0.180 0.000 1.119 302 L CA 1.749 56.489 54.840 -0.166 0.000 0.790 302 L CB -0.515 41.528 42.059 -0.027 0.000 0.919 302 L HN 0.318 nan 8.230 nan 0.000 0.443 303 L N -2.517 118.788 121.223 0.137 0.000 2.313 303 L HA -0.072 4.268 4.340 -0.001 0.000 0.214 303 L C 2.290 179.320 176.870 0.266 0.000 1.119 303 L CA 0.127 55.122 54.840 0.258 0.000 0.809 303 L CB -0.429 41.724 42.059 0.158 0.000 0.933 303 L HN 0.022 nan 8.230 nan 0.000 0.449 304 V N -0.103 119.889 119.914 0.130 0.000 3.041 304 V HA -0.167 3.953 4.120 -0.001 0.000 0.260 304 V C 2.253 178.466 176.094 0.199 0.000 1.105 304 V CA 0.753 63.145 62.300 0.153 0.000 1.125 304 V CB 0.190 32.039 31.823 0.044 0.000 0.730 304 V HN 0.269 nan 8.190 nan 0.000 0.479 305 L N 1.441 122.680 121.223 0.027 0.000 2.079 305 L HA -0.046 4.293 4.340 -0.001 0.000 0.210 305 L C -0.416 176.378 176.870 -0.128 0.000 1.081 305 L CA 2.402 57.125 54.840 -0.195 0.000 0.752 305 L CB -1.679 39.976 42.059 -0.673 0.000 0.896 305 L HN 0.297 nan 8.230 nan 0.000 0.433 306 P HA -0.067 nan 4.420 nan 0.000 0.239 306 P C 0.665 177.664 177.300 -0.500 0.000 1.184 306 P CA 1.224 64.190 63.100 -0.223 0.000 0.760 306 P CB -0.025 31.417 31.700 -0.430 0.000 0.884 307 F N -1.834 118.126 119.950 0.016 0.000 2.592 307 F HA 0.041 4.567 4.527 -0.001 0.000 0.280 307 F C 2.348 178.142 175.800 -0.011 0.000 1.083 307 F CA 0.961 58.964 58.000 0.005 0.000 1.365 307 F CB -1.455 37.549 39.000 0.007 0.000 1.100 307 F HN -0.155 nan 8.300 nan 0.000 0.633 308 T N -2.488 112.155 114.554 0.148 0.000 2.951 308 T HA -0.118 4.232 4.350 -0.001 0.000 0.268 308 T C 0.767 175.460 174.700 -0.011 0.000 1.073 308 T CA 0.638 62.766 62.100 0.047 0.000 1.134 308 T CB -0.525 68.349 68.868 0.010 0.000 0.884 308 T HN -0.006 nan 8.240 nan 0.000 0.479 309 D N 1.765 122.159 120.400 -0.009 0.000 2.348 309 D HA 0.076 4.715 4.640 -0.001 0.000 0.259 309 D C 0.975 177.264 176.300 -0.019 0.000 1.296 309 D CA -0.349 53.644 54.000 -0.012 0.000 0.931 309 D CB 0.526 41.382 40.800 0.093 0.000 1.067 309 D HN 0.087 nan 8.370 nan 0.000 0.503 310 R N 2.086 122.570 120.500 -0.026 0.000 2.299 310 R HA 0.038 4.378 4.340 -0.001 0.000 0.197 310 R C 0.920 177.209 176.300 -0.018 0.000 0.971 310 R CA -0.097 55.991 56.100 -0.020 0.000 1.030 310 R CB -0.734 29.556 30.300 -0.017 0.000 0.932 310 R HN 0.289 nan 8.270 nan 0.000 0.477 311 S N 0.123 115.813 115.700 -0.017 0.000 2.569 311 S HA 0.022 4.492 4.470 -0.001 0.000 0.274 311 S C 1.135 175.719 174.600 -0.027 0.000 1.353 311 S CA -0.167 58.032 58.200 -0.003 0.000 1.023 311 S CB 0.994 64.196 63.200 0.003 0.000 0.876 311 S HN 0.030 nan 8.310 nan 0.000 0.540 312 V N 3.963 123.867 119.914 -0.017 0.000 3.578 312 V HA 0.268 4.387 4.120 -0.001 0.000 0.290 312 V C 0.141 176.194 176.094 -0.069 0.000 1.376 312 V CA 0.705 62.978 62.300 -0.045 0.000 1.083 312 V CB 0.536 32.339 31.823 -0.034 0.000 0.911 312 V HN 0.706 nan 8.190 nan 0.000 0.433 313 V N -0.459 119.417 119.914 -0.064 0.000 2.914 313 V HA 0.665 4.784 4.120 -0.001 0.000 0.314 313 V C -0.441 175.606 176.094 -0.079 0.000 1.084 313 V CA -1.086 61.170 62.300 -0.073 0.000 0.963 313 V CB 1.892 33.669 31.823 -0.077 0.000 1.025 313 V HN 0.343 nan 8.190 nan 0.000 0.432 314 R N 2.815 123.260 120.500 -0.091 0.000 2.265 314 R HA 0.707 5.047 4.340 -0.001 0.000 0.319 314 R C 0.218 176.443 176.300 -0.125 0.000 1.006 314 R CA 0.834 56.850 56.100 -0.140 0.000 0.880 314 R CB 0.797 31.005 30.300 -0.153 0.000 1.077 314 R HN 2.339 nan 8.270 nan 0.000 0.454 315 G N 2.747 111.431 108.800 -0.192 0.000 2.699 315 G HA2 -0.219 3.740 3.960 -0.001 0.000 0.686 315 G HA3 -0.219 3.740 3.960 -0.001 0.000 0.686 315 G C -0.417 174.265 174.900 -0.364 0.000 1.301 315 G CA -0.483 44.465 45.100 -0.253 0.000 0.816 315 G HN 0.665 nan 8.290 nan 0.000 0.595 316 N N -0.444 117.817 118.700 -0.731 0.000 2.336 316 N HA 0.033 4.773 4.740 -0.001 0.000 0.189 316 N C 2.331 177.545 175.510 -0.494 0.000 1.113 316 N CA 1.099 53.698 53.050 -0.751 0.000 0.858 316 N CB 0.018 37.691 38.487 -1.357 0.000 0.970 316 N HN 0.607 nan 8.380 nan 0.000 0.471 317 T N 0.178 114.454 114.554 -0.463 0.000 2.685 317 T HA -0.124 4.225 4.350 -0.001 0.000 0.268 317 T C 1.053 175.537 174.700 -0.361 0.000 1.034 317 T CA 1.327 63.181 62.100 -0.409 0.000 1.149 317 T CB -0.249 68.193 68.868 -0.710 0.000 0.860 317 T HN 0.329 nan 8.240 nan 0.000 0.449 318 F N 0.289 120.293 119.950 0.090 0.000 2.653 318 F HA 0.369 4.896 4.527 -0.001 0.000 0.304 318 F C 0.502 176.432 175.800 0.217 0.000 1.092 318 F CA -0.686 57.408 58.000 0.158 0.000 1.279 318 F CB 0.328 39.425 39.000 0.162 0.000 1.044 318 F HN -0.234 nan 8.300 nan 0.000 0.564 319 K N 0.551 121.095 120.400 0.240 0.000 2.265 319 K HA 0.360 4.679 4.320 -0.001 0.000 0.267 319 K C 0.596 177.280 176.600 0.141 0.000 0.994 319 K CA -0.349 56.050 56.287 0.186 0.000 0.860 319 K CB 2.443 35.020 32.500 0.129 0.000 1.099 319 K HN -0.116 nan 8.250 nan 0.000 0.448 320 V N 2.743 122.727 119.914 0.117 0.000 2.256 320 V HA -0.182 3.937 4.120 -0.001 0.000 0.240 320 V C 1.740 177.952 176.094 0.195 0.000 1.036 320 V CA 1.218 63.599 62.300 0.134 0.000 1.008 320 V CB -0.378 31.489 31.823 0.074 0.000 0.648 320 V HN 0.635 nan 8.190 nan 0.000 0.453 321 L N 0.488 121.819 121.223 0.181 0.000 2.127 321 L HA -0.149 4.191 4.340 -0.001 0.000 0.211 321 L C 2.600 179.749 176.870 0.464 0.000 1.089 321 L CA 1.774 56.806 54.840 0.321 0.000 0.757 321 L CB -1.324 40.894 42.059 0.265 0.000 0.899 321 L HN 0.280 nan 8.230 nan 0.000 0.434 322 S N -0.745 115.134 115.700 0.298 0.000 2.343 322 S HA -0.203 4.266 4.470 -0.001 0.000 0.219 322 S C 1.935 176.742 174.600 0.345 0.000 1.033 322 S CA 1.238 59.601 58.200 0.270 0.000 1.014 322 S CB -0.146 63.109 63.200 0.092 0.000 0.915 322 S HN 0.399 nan 8.310 nan 0.000 0.435 323 K N 0.217 120.795 120.400 0.297 0.000 2.059 323 K HA -0.176 4.144 4.320 -0.001 0.000 0.212 323 K C 1.888 178.864 176.600 0.626 0.000 1.050 323 K CA 1.806 58.359 56.287 0.443 0.000 0.927 323 K CB -0.404 32.342 32.500 0.410 0.000 0.714 323 K HN 0.337 nan 8.250 nan 0.000 0.447 324 F N 0.636 120.786 119.950 0.334 0.000 2.046 324 F HA -0.231 4.296 4.527 -0.001 0.000 0.297 324 F C 1.905 177.780 175.800 0.125 0.000 1.123 324 F CA 1.573 59.680 58.000 0.179 0.000 1.199 324 F CB -0.366 38.610 39.000 -0.040 0.000 0.972 324 F HN -0.086 nan 8.300 nan 0.000 0.474 325 F N -0.686 119.467 119.950 0.338 0.000 2.216 325 F HA -0.175 4.352 4.527 -0.001 0.000 0.300 325 F C 2.215 178.124 175.800 0.183 0.000 1.085 325 F CA 1.437 59.579 58.000 0.236 0.000 1.326 325 F CB -0.832 38.384 39.000 0.361 0.000 1.027 325 F HN 0.134 nan 8.300 nan 0.000 0.497 326 F N -0.081 120.003 119.950 0.224 0.000 2.095 326 F HA -0.247 4.279 4.527 -0.001 0.000 0.298 326 F C 1.879 177.513 175.800 -0.277 0.000 1.104 326 F CA 1.603 59.561 58.000 -0.071 0.000 1.232 326 F CB -0.828 38.115 39.000 -0.096 0.000 0.987 326 F HN -0.109 nan 8.300 nan 0.000 0.475 327 F N -0.021 119.923 119.950 -0.011 0.000 2.407 327 F HA -0.146 4.380 4.527 -0.001 0.000 0.299 327 F C 2.193 177.906 175.800 -0.145 0.000 1.097 327 F CA 0.378 58.309 58.000 -0.115 0.000 1.422 327 F CB -0.380 38.672 39.000 0.086 0.000 1.067 327 F HN 0.002 nan 8.300 nan 0.000 0.539 328 I N -0.954 119.524 120.570 -0.154 0.000 2.353 328 I HA -0.281 3.889 4.170 -0.001 0.000 0.248 328 I C 2.331 178.357 176.117 -0.150 0.000 1.119 328 I CA 1.339 62.543 61.300 -0.159 0.000 1.417 328 I CB -1.157 36.737 38.000 -0.176 0.000 1.078 328 I HN 0.129 nan 8.210 nan 0.000 0.421 329 F N 1.482 121.151 119.950 -0.467 0.000 2.084 329 F HA -0.173 4.354 4.527 -0.001 0.000 0.296 329 F C 2.469 177.929 175.800 -0.567 0.000 1.111 329 F CA 1.521 59.103 58.000 -0.696 0.000 1.224 329 F CB -0.473 37.636 39.000 -1.485 0.000 0.991 329 F HN -0.202 nan 8.300 nan 0.000 0.471 330 V N 0.347 119.795 119.914 -0.776 0.000 2.252 330 V HA -0.353 3.766 4.120 -0.001 0.000 0.249 330 V C 2.331 178.081 176.094 -0.572 0.000 1.056 330 V CA 2.436 64.272 62.300 -0.773 0.000 1.022 330 V CB -0.976 30.304 31.823 -0.904 0.000 0.641 330 V HN 0.343 nan 8.190 nan 0.000 0.445 331 F N 0.349 120.139 119.950 -0.267 0.000 2.171 331 F HA -0.157 4.369 4.527 -0.001 0.000 0.300 331 F C 2.471 178.156 175.800 -0.193 0.000 1.090 331 F CA 1.887 59.785 58.000 -0.169 0.000 1.293 331 F CB -0.582 38.351 39.000 -0.111 0.000 1.013 331 F HN 0.197 nan 8.300 nan 0.000 0.486 332 N N 0.170 118.817 118.700 -0.088 0.000 2.205 332 N HA -0.264 4.475 4.740 -0.001 0.000 0.186 332 N C 2.054 177.452 175.510 -0.187 0.000 1.015 332 N CA 1.140 54.116 53.050 -0.123 0.000 0.862 332 N CB -0.288 38.109 38.487 -0.150 0.000 0.986 332 N HN 0.341 nan 8.380 nan 0.000 0.429 333 F N 1.305 120.962 119.950 -0.488 0.000 2.113 333 F HA -0.132 4.394 4.527 -0.001 0.000 0.297 333 F C 2.264 177.852 175.800 -0.353 0.000 1.103 333 F CA 0.918 58.625 58.000 -0.488 0.000 1.248 333 F CB -0.160 38.449 39.000 -0.651 0.000 0.999 333 F HN -0.176 nan 8.300 nan 0.000 0.475 334 V N 0.978 120.736 119.914 -0.260 0.000 2.343 334 V HA -0.300 3.819 4.120 -0.001 0.000 0.247 334 V C 2.404 178.371 176.094 -0.211 0.000 1.051 334 V CA 1.680 63.834 62.300 -0.244 0.000 1.036 334 V CB -0.780 30.979 31.823 -0.106 0.000 0.654 334 V HN 0.451 nan 8.190 nan 0.000 0.451 335 L N -0.404 120.736 121.223 -0.138 0.000 2.131 335 L HA -0.132 4.207 4.340 -0.001 0.000 0.210 335 L C 2.345 179.114 176.870 -0.169 0.000 1.092 335 L CA 1.989 56.765 54.840 -0.107 0.000 0.759 335 L CB -0.594 41.436 42.059 -0.048 0.000 0.903 335 L HN 0.311 nan 8.230 nan 0.000 0.435 336 L N 0.611 121.682 121.223 -0.253 0.000 2.093 336 L HA -0.037 4.303 4.340 -0.001 0.000 0.208 336 L C 2.552 179.218 176.870 -0.339 0.000 1.085 336 L CA 1.992 56.652 54.840 -0.300 0.000 0.755 336 L CB -1.352 40.464 42.059 -0.405 0.000 0.904 336 L HN 0.278 nan 8.230 nan 0.000 0.435 337 G N -1.904 106.641 108.800 -0.424 0.000 2.403 337 G HA2 -0.297 3.662 3.960 -0.001 0.000 0.216 337 G HA3 -0.297 3.662 3.960 -0.001 0.000 0.216 337 G C 1.478 176.255 174.900 -0.204 0.000 1.154 337 G CA 0.700 45.594 45.100 -0.343 0.000 0.784 337 G HN 0.410 nan 8.290 nan 0.000 0.538 338 Q N 0.400 120.086 119.800 -0.189 0.000 2.135 338 Q HA -0.081 4.258 4.340 -0.001 0.000 0.204 338 Q C 2.401 178.289 176.000 -0.186 0.000 0.981 338 Q CA 1.122 56.834 55.803 -0.153 0.000 0.856 338 Q CB -0.292 28.372 28.738 -0.124 0.000 0.902 338 Q HN 0.405 nan 8.270 nan 0.000 0.425 339 I N -0.241 120.216 120.570 -0.189 0.000 2.179 339 I HA -0.138 4.032 4.170 -0.001 0.000 0.242 339 I C 2.199 178.216 176.117 -0.166 0.000 1.088 339 I CA 1.562 62.741 61.300 -0.202 0.000 1.357 339 I CB -1.809 36.107 38.000 -0.139 0.000 1.051 339 I HN 0.394 nan 8.210 nan 0.000 0.409 340 G N 0.667 109.399 108.800 -0.114 0.000 2.462 340 G HA2 -0.193 3.766 3.960 -0.001 0.000 0.220 340 G HA3 -0.193 3.766 3.960 -0.001 0.000 0.220 340 G C 1.796 176.741 174.900 0.074 0.000 1.121 340 G CA 0.955 46.071 45.100 0.026 0.000 0.758 340 G HN 0.506 nan 8.290 nan 0.000 0.559 341 A N -0.555 122.234 122.820 -0.053 0.000 2.014 341 A HA 0.182 4.502 4.320 -0.001 0.000 0.218 341 A C 1.552 179.047 177.584 -0.148 0.000 1.163 341 A CA 0.970 52.958 52.037 -0.082 0.000 0.652 341 A CB -0.483 18.460 19.000 -0.094 0.000 0.808 341 A HN 0.423 nan 8.150 nan 0.000 0.449 342 C N -0.559 118.610 119.300 -0.218 0.000 2.470 342 C HA 0.459 4.918 4.460 -0.001 0.000 0.350 342 C C 0.798 175.692 174.990 -0.160 0.000 1.341 342 C CA -1.133 57.728 59.018 -0.261 0.000 2.440 342 C CB -0.333 27.010 27.740 -0.662 0.000 2.295 342 C HN 0.579 nan 8.230 nan 0.000 0.645 343 H N -0.735 118.345 119.070 0.017 0.000 2.581 343 H HA 0.220 4.775 4.556 -0.001 0.000 0.369 343 H C -0.361 175.039 175.328 0.120 0.000 1.351 343 H CA -0.128 55.971 56.048 0.084 0.000 1.434 343 H CB 0.539 30.365 29.762 0.106 0.000 1.558 343 H HN 0.355 nan 8.280 nan 0.000 0.608 344 V N 2.502 122.549 119.914 0.220 0.000 2.153 344 V HA 0.084 4.203 4.120 -0.001 0.000 0.250 344 V C 0.192 176.374 176.094 0.148 0.000 1.334 344 V CA 0.227 62.611 62.300 0.140 0.000 1.249 344 V CB -1.081 30.782 31.823 0.068 0.000 1.371 344 V HN 0.595 nan 8.190 nan 0.000 0.498 345 E N 1.540 121.862 120.200 0.203 0.000 2.277 345 E HA 0.416 4.765 4.350 -0.001 0.000 0.266 345 E C 0.742 177.340 176.600 -0.003 0.000 0.901 345 E CA -0.899 55.556 56.400 0.092 0.000 0.782 345 E CB 2.563 32.314 29.700 0.085 0.000 1.228 345 E HN 0.056 nan 8.360 nan 0.000 0.424 346 V N 2.521 122.401 119.914 -0.056 0.000 2.265 346 V HA -0.296 3.823 4.120 -0.001 0.000 0.259 346 V C -0.526 175.493 176.094 -0.125 0.000 1.084 346 V CA 2.526 64.777 62.300 -0.081 0.000 1.076 346 V CB -1.427 30.349 31.823 -0.078 0.000 0.680 346 V HN 0.791 nan 8.190 nan 0.000 0.452 347 P HA -0.116 nan 4.420 nan 0.000 0.221 347 P C 1.440 178.652 177.300 -0.147 0.000 1.155 347 P CA 1.550 64.486 63.100 -0.273 0.000 0.812 347 P CB -0.089 31.342 31.700 -0.448 0.000 0.801 348 Y N -0.199 120.103 120.300 0.004 0.000 2.337 348 Y HA -0.087 4.463 4.550 -0.001 0.000 0.293 348 Y C 2.619 178.514 175.900 -0.008 0.000 1.123 348 Y CA -0.108 57.992 58.100 0.001 0.000 1.201 348 Y CB -0.760 37.706 38.460 0.010 0.000 1.011 348 Y HN -0.284 nan 8.280 nan 0.000 0.545 349 V N 0.676 120.671 119.914 0.136 0.000 2.237 349 V HA -0.321 3.798 4.120 -0.001 0.000 0.245 349 V C 2.329 178.453 176.094 0.049 0.000 1.046 349 V CA 1.605 63.947 62.300 0.070 0.000 1.007 349 V CB -0.771 31.076 31.823 0.040 0.000 0.638 349 V HN 0.412 nan 8.190 nan 0.000 0.445 350 L N -0.675 120.571 121.223 0.038 0.000 2.079 350 L HA -0.215 4.124 4.340 -0.001 0.000 0.210 350 L C 2.322 179.218 176.870 0.044 0.000 1.081 350 L CA 2.228 57.086 54.840 0.029 0.000 0.752 350 L CB -0.532 41.534 42.059 0.013 0.000 0.896 350 L HN 0.351 nan 8.230 nan 0.000 0.433 351 M N -0.591 119.046 119.600 0.061 0.000 2.086 351 M HA -0.155 4.324 4.480 -0.001 0.000 0.261 351 M C 2.138 178.474 176.300 0.059 0.000 1.067 351 M CA 1.861 57.203 55.300 0.070 0.000 1.116 351 M CB -0.806 31.859 32.600 0.108 0.000 1.348 351 M HN 0.385 nan 8.290 nan 0.000 0.407 352 G N -0.229 108.601 108.800 0.050 0.000 2.440 352 G HA2 -0.238 3.721 3.960 -0.001 0.000 0.218 352 G HA3 -0.238 3.721 3.960 -0.001 0.000 0.218 352 G C 1.332 176.257 174.900 0.042 0.000 1.154 352 G CA 0.683 45.793 45.100 0.017 0.000 0.767 352 G HN 0.518 nan 8.290 nan 0.000 0.552 353 Q N -0.163 119.672 119.800 0.058 0.000 2.079 353 Q HA 0.037 4.376 4.340 -0.001 0.000 0.200 353 Q C 2.611 178.700 176.000 0.147 0.000 0.974 353 Q CA 0.967 56.825 55.803 0.092 0.000 0.840 353 Q CB -0.205 28.573 28.738 0.066 0.000 0.898 353 Q HN 0.502 nan 8.270 nan 0.000 0.430 354 I N 0.948 121.588 120.570 0.117 0.000 2.179 354 I HA -0.294 3.875 4.170 -0.001 0.000 0.242 354 I C 2.477 178.729 176.117 0.225 0.000 1.088 354 I CA 1.014 62.405 61.300 0.152 0.000 1.357 354 I CB -0.454 37.600 38.000 0.090 0.000 1.051 354 I HN 0.190 nan 8.210 nan 0.000 0.409 355 A N 0.203 123.112 122.820 0.148 0.000 1.908 355 A HA -0.223 4.097 4.320 -0.001 0.000 0.218 355 A C 2.375 180.066 177.584 0.178 0.000 1.181 355 A CA 2.509 54.622 52.037 0.127 0.000 0.627 355 A CB -1.098 17.923 19.000 0.036 0.000 0.818 355 A HN 0.385 nan 8.150 nan 0.000 0.445 356 T N -0.907 113.755 114.554 0.180 0.000 2.708 356 T HA -0.139 4.210 4.350 -0.001 0.000 0.266 356 T C 1.580 176.533 174.700 0.422 0.000 1.037 356 T CA 1.586 63.832 62.100 0.242 0.000 1.146 356 T CB -0.421 68.579 68.868 0.220 0.000 0.865 356 T HN 0.482 nan 8.240 nan 0.000 0.435 357 F N 1.721 121.829 119.950 0.263 0.000 2.043 357 F HA -0.161 4.366 4.527 -0.001 0.000 0.297 357 F C 2.055 178.049 175.800 0.323 0.000 1.121 357 F CA 1.272 59.439 58.000 0.278 0.000 1.199 357 F CB -0.549 38.555 39.000 0.172 0.000 0.968 357 F HN 0.087 nan 8.300 nan 0.000 0.478 358 I N -0.828 119.989 120.570 0.412 0.000 2.113 358 I HA -0.410 3.759 4.170 -0.001 0.000 0.242 358 I C 2.340 178.608 176.117 0.252 0.000 1.064 358 I CA 2.117 63.598 61.300 0.302 0.000 1.320 358 I CB -0.860 37.306 38.000 0.277 0.000 1.028 358 I HN 0.318 nan 8.210 nan 0.000 0.406 359 Y N 1.202 121.586 120.300 0.140 0.000 2.014 359 Y HA -0.362 4.187 4.550 -0.001 0.000 0.272 359 Y C 2.354 178.406 175.900 0.252 0.000 1.164 359 Y CA 2.085 60.278 58.100 0.155 0.000 1.114 359 Y CB -0.675 37.801 38.460 0.027 0.000 0.961 359 Y HN -0.033 nan 8.280 nan 0.000 0.489 360 F N -0.218 119.998 119.950 0.443 0.000 2.171 360 F HA -0.173 4.353 4.527 -0.001 0.000 0.300 360 F C 2.553 178.390 175.800 0.062 0.000 1.090 360 F CA 1.025 59.203 58.000 0.297 0.000 1.293 360 F CB -0.730 38.380 39.000 0.182 0.000 1.013 360 F HN 0.200 nan 8.300 nan 0.000 0.486 361 A N -0.897 121.941 122.820 0.029 0.000 1.972 361 A HA -0.262 4.058 4.320 -0.001 0.000 0.219 361 A C 1.953 179.527 177.584 -0.015 0.000 1.169 361 A CA 1.371 53.325 52.037 -0.138 0.000 0.635 361 A CB -1.315 17.472 19.000 -0.355 0.000 0.810 361 A HN 0.524 nan 8.150 nan 0.000 0.446 362 Y N -0.491 119.737 120.300 -0.119 0.000 2.181 362 Y HA -0.222 4.327 4.550 -0.001 0.000 0.288 362 Y C 1.844 177.525 175.900 -0.366 0.000 1.146 362 Y CA 1.983 59.914 58.100 -0.282 0.000 1.164 362 Y CB -0.429 37.762 38.460 -0.448 0.000 0.982 362 Y HN 0.312 nan 8.280 nan 0.000 0.515 363 F N -0.730 119.114 119.950 -0.177 0.000 2.187 363 F HA -0.101 4.426 4.527 -0.001 0.000 0.295 363 F C 1.919 177.613 175.800 -0.176 0.000 1.091 363 F CA 1.032 58.882 58.000 -0.248 0.000 1.308 363 F CB -0.208 38.710 39.000 -0.137 0.000 1.030 363 F HN -0.049 nan 8.300 nan 0.000 0.487 364 L N -0.981 120.303 121.223 0.102 0.000 2.416 364 L HA 0.115 4.454 4.340 -0.001 0.000 0.216 364 L C 1.486 178.343 176.870 -0.021 0.000 1.098 364 L CA 0.534 55.401 54.840 0.045 0.000 0.840 364 L CB -0.059 42.046 42.059 0.077 0.000 0.981 364 L HN 0.165 nan 8.230 nan 0.000 0.462 365 I N -1.501 119.029 120.570 -0.066 0.000 3.650 365 I HA 0.009 4.178 4.170 -0.001 0.000 0.261 365 I C 2.053 178.081 176.117 -0.148 0.000 1.154 365 I CA 0.053 61.308 61.300 -0.075 0.000 1.418 365 I CB 0.152 38.133 38.000 -0.032 0.000 1.539 365 I HN -0.077 nan 8.210 nan 0.000 0.449 366 I N 1.265 121.709 120.570 -0.210 0.000 2.052 366 I HA -0.293 3.876 4.170 -0.001 0.000 0.235 366 I C 2.639 178.528 176.117 -0.379 0.000 1.046 366 I CA 1.708 62.808 61.300 -0.334 0.000 1.308 366 I CB -0.398 37.402 38.000 -0.332 0.000 1.031 366 I HN 0.027 nan 8.210 nan 0.000 0.395 367 V N 1.813 121.412 119.914 -0.525 0.000 2.278 367 V HA -0.215 3.904 4.120 -0.001 0.000 0.251 367 V C -0.268 175.685 176.094 -0.236 0.000 1.062 367 V CA 2.544 64.574 62.300 -0.449 0.000 1.038 367 V CB -2.159 29.308 31.823 -0.593 0.000 0.646 367 V HN 0.389 nan 8.190 nan 0.000 0.447 368 P HA -0.074 nan 4.420 nan 0.000 0.217 368 P C 1.871 179.117 177.300 -0.089 0.000 1.151 368 P CA 1.406 64.445 63.100 -0.101 0.000 0.828 368 P CB -0.026 31.634 31.700 -0.066 0.000 0.788 369 V N 0.890 120.738 119.914 -0.110 0.000 2.244 369 V HA -0.196 3.924 4.120 -0.001 0.000 0.244 369 V C 2.749 178.789 176.094 -0.090 0.000 1.042 369 V CA 1.530 63.775 62.300 -0.091 0.000 1.006 369 V CB -1.132 30.631 31.823 -0.100 0.000 0.641 369 V HN -0.049 nan 8.190 nan 0.000 0.446 370 I N 1.530 122.021 120.570 -0.132 0.000 2.208 370 I HA -0.220 3.949 4.170 -0.001 0.000 0.245 370 I C 2.786 178.878 176.117 -0.042 0.000 1.097 370 I CA 2.303 63.548 61.300 -0.091 0.000 1.363 370 I CB -1.580 36.353 38.000 -0.112 0.000 1.051 370 I HN 0.551 nan 8.210 nan 0.000 0.413 371 S N -0.136 115.532 115.700 -0.053 0.000 2.382 371 S HA -0.166 4.304 4.470 -0.001 0.000 0.228 371 S C 1.970 176.572 174.600 0.003 0.000 1.027 371 S CA 1.775 59.965 58.200 -0.016 0.000 0.991 371 S CB -1.025 62.154 63.200 -0.035 0.000 0.823 371 S HN 0.446 nan 8.310 nan 0.000 0.469 372 T N 2.835 117.380 114.554 -0.016 0.000 2.701 372 T HA 0.146 4.496 4.350 -0.001 0.000 0.263 372 T C 1.783 176.486 174.700 0.005 0.000 1.040 372 T CA 1.333 63.430 62.100 -0.006 0.000 1.147 372 T CB -0.513 68.345 68.868 -0.017 0.000 0.865 372 T HN 0.337 nan 8.240 nan 0.000 0.426 373 I N 1.180 121.746 120.570 -0.008 0.000 2.151 373 I HA -0.234 3.935 4.170 -0.001 0.000 0.243 373 I C 2.676 178.788 176.117 -0.009 0.000 1.080 373 I CA 1.592 62.888 61.300 -0.007 0.000 1.339 373 I CB -0.388 37.603 38.000 -0.015 0.000 1.039 373 I HN 0.369 nan 8.210 nan 0.000 0.409 374 E N 0.381 120.575 120.200 -0.009 0.000 2.204 374 E HA -0.210 4.140 4.350 -0.001 0.000 0.195 374 E C 1.808 178.441 176.600 0.056 0.000 0.990 374 E CA 0.909 57.278 56.400 -0.051 0.000 0.821 374 E CB -0.122 29.571 29.700 -0.012 0.000 0.750 374 E HN 0.466 nan 8.360 nan 0.000 0.477 375 N N 0.221 119.003 118.700 0.136 0.000 2.084 375 N HA -0.129 4.611 4.740 -0.001 0.000 0.190 375 N C 1.868 177.497 175.510 0.198 0.000 1.030 375 N CA 0.966 54.142 53.050 0.210 0.000 0.849 375 N CB -0.261 38.286 38.487 0.099 0.000 1.012 375 N HN 0.001 nan 8.380 nan 0.000 0.423 376 V N 0.761 120.741 119.914 0.109 0.000 2.307 376 V HA -0.134 3.985 4.120 -0.001 0.000 0.245 376 V C 2.269 178.450 176.094 0.146 0.000 1.045 376 V CA 0.903 63.276 62.300 0.121 0.000 1.024 376 V CB -0.624 31.237 31.823 0.063 0.000 0.651 376 V HN 0.155 nan 8.190 nan 0.000 0.449 377 L N -0.689 120.559 121.223 0.041 0.000 2.064 377 L HA -0.208 4.131 4.340 -0.001 0.000 0.216 377 L C 2.251 179.114 176.870 -0.011 0.000 1.077 377 L CA 2.058 56.873 54.840 -0.041 0.000 0.766 377 L CB -1.142 40.813 42.059 -0.174 0.000 0.890 377 L HN 0.234 nan 8.230 nan 0.000 0.435 378 F N -2.271 117.724 119.950 0.076 0.000 2.146 378 F HA -0.237 4.289 4.527 -0.001 0.000 0.298 378 F C 2.474 178.330 175.800 0.094 0.000 1.096 378 F CA 1.305 59.346 58.000 0.069 0.000 1.275 378 F CB -0.961 38.079 39.000 0.066 0.000 1.008 378 F HN 0.106 nan 8.300 nan 0.000 0.480 379 Y N 1.284 121.699 120.300 0.191 0.000 2.109 379 Y HA -0.187 4.362 4.550 -0.001 0.000 0.285 379 Y C 2.387 178.326 175.900 0.065 0.000 1.131 379 Y CA 2.074 60.234 58.100 0.100 0.000 1.121 379 Y CB -0.710 37.792 38.460 0.070 0.000 0.987 379 Y HN 0.103 nan 8.280 nan 0.000 0.495 380 I N -1.689 118.956 120.570 0.125 0.000 2.756 380 I HA 0.022 4.192 4.170 -0.001 0.000 0.262 380 I C 2.017 178.108 176.117 -0.042 0.000 1.225 380 I CA 1.498 62.791 61.300 -0.011 0.000 1.472 380 I CB -0.972 37.078 38.000 0.083 0.000 1.094 380 I HN 0.271 nan 8.210 nan 0.000 0.454 381 G N 2.089 110.888 108.800 -0.002 0.000 2.848 381 G HA2 -0.028 3.931 3.960 -0.001 0.000 0.208 381 G HA3 -0.028 3.931 3.960 -0.001 0.000 0.208 381 G C 1.493 176.382 174.900 -0.019 0.000 1.152 381 G CA 0.396 45.495 45.100 -0.003 0.000 0.789 381 G HN 0.716 nan 8.290 nan 0.000 0.531 382 R N -1.885 118.577 120.500 -0.064 0.000 2.471 382 R HA 0.244 4.583 4.340 -0.001 0.000 0.326 382 R C -0.775 175.442 176.300 -0.138 0.000 0.875 382 R CA -0.253 55.802 56.100 -0.074 0.000 1.102 382 R CB 0.218 30.496 30.300 -0.037 0.000 1.749 382 R HN 0.023 nan 8.270 nan 0.000 0.487 383 V N 2.817 122.584 119.914 -0.245 0.000 2.432 383 V HA 0.321 4.440 4.120 -0.001 0.000 0.275 383 V C -0.544 175.429 176.094 -0.202 0.000 1.043 383 V CA -0.434 61.672 62.300 -0.323 0.000 0.925 383 V CB 1.452 32.812 31.823 -0.770 0.000 0.985 383 V HN 0.282 nan 8.190 nan 0.000 0.466 384 N N 5.560 124.180 118.700 -0.132 0.000 2.623 384 N HA 0.389 5.129 4.740 -0.001 0.000 0.256 384 N C -0.691 174.786 175.510 -0.055 0.000 1.045 384 N CA -0.499 52.505 53.050 -0.077 0.000 0.863 384 N CB 2.097 40.551 38.487 -0.055 0.000 1.182 384 N HN 0.576 nan 8.380 nan 0.000 0.523 385 K N 0.000 120.376 120.400 -0.039 0.000 2.780 385 K HA 0.000 4.319 4.320 -0.001 0.000 0.191 385 K CA 0.000 56.280 56.287 -0.012 0.000 0.838 385 K CB 0.000 32.507 32.500 0.012 0.000 1.064 385 K HN 0.000 nan 8.250 nan 0.000 0.543