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 2qi9_1_B DATA FIRST_RESID 2 DATA SEQUENCE LTLARQQQRQ NIRWLLSLSV LXLLALLLSL SAGEQWISPG DWFTPRGELF DATA SEQUENCE VWQIRLPRTL AVLLVGAALA ISGAVXQALF ENPLAEPGLL GVSNGAGVGL DATA SEQUENCE IAAVLLGQGQ LPNWALGLSA IAGALIITLI LLRFARRHLS TSRLLLAGVA DATA SEQUENCE LGIISSALXT WAIYFSTSVD LRQLXYWXXG GFGGVDWRQS WLXLALIPVL DATA SEQUENCE LWISSQSRPX NXLALGEISA RQLGLPLWFW RNVLVAATGW XVGVSVALAG DATA SEQUENCE AIGFIGLVIP HILRLSGLTD HRVLLPGCAL AGASALLLAD IVARLALAAA DATA SEQUENCE ELPIGVVTAT LGAPVFIWLL LKA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 L HA 0.000 nan 4.340 nan 0.000 0.249 2 L C 0.000 176.870 176.870 -0.000 0.000 1.165 2 L CA 0.000 54.839 54.840 -0.001 0.000 0.813 2 L CB 0.000 42.059 42.059 -0.001 0.000 0.961 3 T N 0.263 114.817 114.554 0.000 0.000 2.778 3 T HA -0.124 4.226 4.350 0.000 0.000 0.269 3 T C 1.803 176.504 174.700 0.002 0.000 1.050 3 T CA 2.106 64.207 62.100 0.002 0.000 1.137 3 T CB -0.235 68.634 68.868 0.002 0.000 0.860 3 T HN 0.251 nan 8.240 nan 0.000 0.468 4 L N 0.450 121.672 121.223 -0.001 0.000 2.093 4 L HA -0.013 4.327 4.340 0.000 0.000 0.208 4 L C 3.010 179.878 176.870 -0.003 0.000 1.085 4 L CA 1.002 55.840 54.840 -0.003 0.000 0.755 4 L CB -0.706 41.350 42.059 -0.006 0.000 0.904 4 L HN 0.214 nan 8.230 nan 0.000 0.435 5 A N 1.520 124.339 122.820 -0.003 0.000 1.845 5 A HA -0.242 4.078 4.320 0.000 0.000 0.215 5 A C 2.398 179.983 177.584 0.002 0.000 1.195 5 A CA 1.980 54.015 52.037 -0.002 0.000 0.616 5 A CB -0.640 18.358 19.000 -0.002 0.000 0.832 5 A HN 0.505 nan 8.150 nan 0.000 0.443 6 R N -0.394 120.108 120.500 0.004 0.000 2.094 6 R HA -0.229 4.111 4.340 0.000 0.000 0.239 6 R C 2.167 178.474 176.300 0.012 0.000 1.137 6 R CA 1.979 58.084 56.100 0.008 0.000 0.943 6 R CB -0.849 29.456 30.300 0.008 0.000 0.850 6 R HN 0.601 nan 8.270 nan 0.000 0.433 7 Q N 0.239 120.046 119.800 0.012 0.000 2.077 7 Q HA -0.271 4.069 4.340 0.000 0.000 0.206 7 Q C 2.338 178.349 176.000 0.020 0.000 0.989 7 Q CA 2.082 57.895 55.803 0.017 0.000 0.853 7 Q CB -0.178 28.568 28.738 0.013 0.000 0.907 7 Q HN 0.392 nan 8.270 nan 0.000 0.418 8 Q N 0.918 120.723 119.800 0.009 0.000 2.096 8 Q HA -0.236 4.104 4.340 0.000 0.000 0.204 8 Q C 1.853 177.861 176.000 0.013 0.000 0.982 8 Q CA 1.924 57.729 55.803 0.002 0.000 0.850 8 Q CB -0.165 28.566 28.738 -0.011 0.000 0.901 8 Q HN 0.380 nan 8.270 nan 0.000 0.422 9 Q N -0.647 119.162 119.800 0.015 0.000 2.050 9 Q HA -0.184 4.156 4.340 0.000 0.000 0.202 9 Q C 2.077 178.100 176.000 0.038 0.000 0.980 9 Q CA 1.309 57.125 55.803 0.022 0.000 0.840 9 Q CB -0.015 28.733 28.738 0.016 0.000 0.898 9 Q HN 0.319 nan 8.270 nan 0.000 0.424 10 R N 0.019 120.543 120.500 0.039 0.000 2.082 10 R HA -0.192 4.149 4.340 0.000 0.000 0.234 10 R C 2.401 178.751 176.300 0.083 0.000 1.136 10 R CA 2.038 58.168 56.100 0.050 0.000 0.935 10 R CB -0.435 29.890 30.300 0.042 0.000 0.842 10 R HN 0.482 nan 8.270 nan 0.000 0.430 11 Q N 0.128 119.989 119.800 0.103 0.000 2.197 11 Q HA -0.174 4.166 4.340 0.000 0.000 0.207 11 Q C 1.789 177.938 176.000 0.250 0.000 0.984 11 Q CA 1.306 57.227 55.803 0.196 0.000 0.869 11 Q CB -0.182 28.652 28.738 0.161 0.000 0.906 11 Q HN 0.372 nan 8.270 nan 0.000 0.426 12 N N 0.749 119.528 118.700 0.133 0.000 2.092 12 N HA -0.082 4.658 4.740 0.000 0.000 0.189 12 N C 1.914 177.510 175.510 0.143 0.000 1.040 12 N CA 1.006 54.128 53.050 0.119 0.000 0.845 12 N CB -0.355 38.160 38.487 0.047 0.000 1.017 12 N HN 0.203 nan 8.380 nan 0.000 0.426 13 I N 1.373 122.000 120.570 0.095 0.000 2.151 13 I HA -0.294 3.877 4.170 0.000 0.000 0.243 13 I C 2.486 178.653 176.117 0.083 0.000 1.080 13 I CA 1.233 62.578 61.300 0.075 0.000 1.339 13 I CB -0.183 37.847 38.000 0.050 0.000 1.039 13 I HN 0.120 nan 8.210 nan 0.000 0.409 14 R N -0.460 120.092 120.500 0.087 0.000 2.083 14 R HA -0.225 4.115 4.340 0.000 0.000 0.237 14 R C 2.160 178.477 176.300 0.028 0.000 1.137 14 R CA 2.136 58.261 56.100 0.042 0.000 0.951 14 R CB -0.476 29.843 30.300 0.032 0.000 0.851 14 R HN 0.357 nan 8.270 nan 0.000 0.434 15 W N 1.024 122.325 121.300 0.000 0.000 2.355 15 W HA -0.119 4.541 4.660 0.000 0.000 0.309 15 W C 2.034 178.555 176.519 0.003 0.000 1.206 15 W CA 1.149 58.495 57.345 0.001 0.000 1.284 15 W CB -0.389 29.068 29.460 -0.006 0.000 1.145 15 W HN 0.033 nan 8.180 nan 0.000 0.502 16 L N -0.755 120.612 121.223 0.240 0.000 2.083 16 L HA -0.264 4.076 4.340 0.000 0.000 0.209 16 L C 2.392 179.312 176.870 0.084 0.000 1.083 16 L CA 0.632 55.563 54.840 0.150 0.000 0.752 16 L CB -1.044 41.080 42.059 0.109 0.000 0.899 16 L HN 0.025 nan 8.230 nan 0.000 0.433 17 L N -0.250 121.006 121.223 0.055 0.000 1.955 17 L HA -0.215 4.125 4.340 0.000 0.000 0.213 17 L C 2.688 179.553 176.870 -0.008 0.000 1.072 17 L CA 2.025 56.876 54.840 0.019 0.000 0.755 17 L CB -1.130 40.932 42.059 0.005 0.000 0.888 17 L HN 0.264 nan 8.230 nan 0.000 0.432 18 S N -0.206 115.459 115.700 -0.059 0.000 2.419 18 S HA -0.151 4.319 4.470 0.000 0.000 0.235 18 S C 1.998 176.553 174.600 -0.076 0.000 1.019 18 S CA 0.924 59.054 58.200 -0.117 0.000 0.982 18 S CB -0.158 62.875 63.200 -0.278 0.000 0.789 18 S HN 0.333 nan 8.310 nan 0.000 0.490 19 L N 1.258 122.479 121.223 -0.003 0.000 2.162 19 L HA -0.041 4.299 4.340 0.000 0.000 0.205 19 L C 2.702 179.599 176.870 0.045 0.000 1.086 19 L CA 1.191 56.064 54.840 0.055 0.000 0.778 19 L CB -0.465 41.687 42.059 0.154 0.000 0.928 19 L HN 0.430 nan 8.230 nan 0.000 0.446 20 S N -1.148 114.577 115.700 0.041 0.000 2.371 20 S HA -0.111 4.359 4.470 0.000 0.000 0.224 20 S C 1.910 176.524 174.600 0.024 0.000 1.029 20 S CA 0.775 58.997 58.200 0.037 0.000 0.978 20 S CB -0.665 62.559 63.200 0.039 0.000 0.833 20 S HN 0.115 nan 8.310 nan 0.000 0.466 21 V N 2.157 122.079 119.914 0.012 0.000 2.287 21 V HA -0.031 4.089 4.120 0.000 0.000 0.248 21 V C 1.869 177.967 176.094 0.007 0.000 1.053 21 V CA 1.454 63.758 62.300 0.007 0.000 1.027 21 V CB -0.802 31.015 31.823 -0.009 0.000 0.646 21 V HN 0.540 nan 8.190 nan 0.000 0.447 25 L N 0.393 121.635 121.223 0.033 0.000 2.131 25 L HA -0.105 4.235 4.340 0.000 0.000 0.210 25 L C 2.443 179.335 176.870 0.037 0.000 1.092 25 L CA 1.508 56.373 54.840 0.043 0.000 0.759 25 L CB -0.548 41.533 42.059 0.037 0.000 0.903 25 L HN 0.403 nan 8.230 nan 0.000 0.435 26 A N -0.364 122.467 122.820 0.017 0.000 2.067 26 A HA -0.064 4.256 4.320 0.000 0.000 0.217 26 A C 2.274 179.843 177.584 -0.025 0.000 1.156 26 A CA 0.751 52.788 52.037 0.000 0.000 0.683 26 A CB -0.296 18.699 19.000 -0.008 0.000 0.808 26 A HN 0.320 nan 8.150 nan 0.000 0.455 27 L N -0.413 120.797 121.223 -0.022 0.000 1.988 27 L HA -0.147 4.193 4.340 0.000 0.000 0.207 27 L C 2.511 179.348 176.870 -0.055 0.000 1.071 27 L CA 1.298 56.105 54.840 -0.054 0.000 0.744 27 L CB -0.393 41.647 42.059 -0.032 0.000 0.893 27 L HN 0.410 nan 8.230 nan 0.000 0.433 28 L N -0.709 120.527 121.223 0.023 0.000 2.042 28 L HA -0.306 4.034 4.340 0.000 0.000 0.210 28 L C 2.553 179.438 176.870 0.025 0.000 1.076 28 L CA 1.228 56.122 54.840 0.090 0.000 0.749 28 L CB -0.646 41.505 42.059 0.153 0.000 0.893 28 L HN 0.345 nan 8.230 nan 0.000 0.432 29 L N 0.084 121.323 121.223 0.027 0.000 2.012 29 L HA -0.232 4.109 4.340 0.000 0.000 0.210 29 L C 2.886 179.711 176.870 -0.076 0.000 1.073 29 L CA 2.013 56.866 54.840 0.023 0.000 0.748 29 L CB -0.186 41.910 42.059 0.062 0.000 0.891 29 L HN 0.468 nan 8.230 nan 0.000 0.431 30 S N -1.073 114.564 115.700 -0.105 0.000 2.461 30 S HA -0.080 4.391 4.470 0.000 0.000 0.228 30 S C 1.864 176.329 174.600 -0.225 0.000 1.005 30 S CA 0.350 58.461 58.200 -0.148 0.000 0.942 30 S CB -0.381 62.725 63.200 -0.156 0.000 0.776 30 S HN 0.408 nan 8.310 nan 0.000 0.514 31 L N 1.398 122.458 121.223 -0.272 0.000 2.217 31 L HA 0.084 4.425 4.340 0.000 0.000 0.211 31 L C 1.324 177.967 176.870 -0.377 0.000 1.107 31 L CA 0.851 55.441 54.840 -0.416 0.000 0.783 31 L CB -0.352 41.355 42.059 -0.586 0.000 0.919 31 L HN 0.321 nan 8.230 nan 0.000 0.442 32 S N 0.401 115.869 115.700 -0.387 0.000 2.552 32 S HA 0.360 4.830 4.470 0.000 0.000 0.246 32 S C 0.725 174.939 174.600 -0.643 0.000 1.019 32 S CA -0.386 57.379 58.200 -0.726 0.000 1.045 32 S CB -0.103 62.157 63.200 -1.566 0.000 0.784 32 S HN 0.321 nan 8.310 nan 0.000 0.453 33 A N 1.169 123.808 122.820 -0.300 0.000 2.622 33 A HA 0.171 4.491 4.320 0.000 0.000 0.236 33 A C 1.651 179.222 177.584 -0.021 0.000 1.003 33 A CA 0.670 52.633 52.037 -0.124 0.000 0.781 33 A CB -0.234 18.720 19.000 -0.076 0.000 0.902 33 A HN 0.569 nan 8.150 nan 0.000 0.496 34 G N 0.454 109.308 108.800 0.090 0.000 2.470 34 G HA2 -0.209 3.752 3.960 0.000 0.000 0.220 34 G HA3 -0.209 3.752 3.960 0.000 0.000 0.220 34 G C 1.156 176.131 174.900 0.125 0.000 1.121 34 G CA 0.996 46.207 45.100 0.185 0.000 0.766 34 G HN 0.974 nan 8.290 nan 0.000 0.553 35 E N -0.392 119.853 120.200 0.076 0.000 2.333 35 E HA -0.063 4.287 4.350 0.000 0.000 0.198 35 E C 0.274 176.915 176.600 0.069 0.000 1.007 35 E CA 0.534 56.978 56.400 0.073 0.000 0.845 35 E CB 0.005 29.752 29.700 0.078 0.000 0.766 35 E HN 0.483 nan 8.360 nan 0.000 0.507 36 Q N 0.110 119.943 119.800 0.055 0.000 2.476 36 Q HA 0.072 4.412 4.340 0.000 0.000 0.236 36 Q C -1.766 174.254 176.000 0.034 0.000 0.844 36 Q CA -0.372 55.439 55.803 0.014 0.000 0.972 36 Q CB 0.615 29.288 28.738 -0.109 0.000 1.498 36 Q HN 0.230 nan 8.270 nan 0.000 0.454 37 W N 5.991 127.269 121.300 -0.036 0.000 2.266 37 W HA 0.439 5.099 4.660 0.000 0.000 0.317 37 W C -1.169 175.343 176.519 -0.012 0.000 1.310 37 W CA 0.077 57.415 57.345 -0.012 0.000 1.207 37 W CB 0.542 29.998 29.460 -0.006 0.000 1.199 37 W HN 0.607 nan 8.180 nan 0.000 0.544 38 I N 5.911 126.216 120.570 -0.441 0.000 2.583 38 I HA 0.007 4.177 4.170 0.000 0.000 0.276 38 I C 0.344 176.348 176.117 -0.189 0.000 1.089 38 I CA -0.438 60.775 61.300 -0.144 0.000 1.103 38 I CB 1.155 39.120 38.000 -0.058 0.000 1.209 38 I HN 0.108 nan 8.210 nan 0.000 0.484 39 S N 6.918 122.620 115.700 0.003 0.000 2.560 39 S HA 0.039 4.510 4.470 0.000 0.000 0.276 39 S C -1.092 173.165 174.600 -0.572 0.000 1.350 39 S CA -0.576 57.590 58.200 -0.056 0.000 1.024 39 S CB 0.339 63.586 63.200 0.077 0.000 0.864 39 S HN 0.517 nan 8.310 nan 0.000 0.536 40 P HA -0.053 nan 4.420 nan 0.000 0.229 40 P C 1.055 177.955 177.300 -0.666 0.000 1.150 40 P CA 0.917 63.007 63.100 -1.683 0.000 0.765 40 P CB -0.253 30.746 31.700 -1.169 0.000 0.783 41 G N -0.226 108.390 108.800 -0.308 0.000 2.777 41 G HA2 -0.077 3.883 3.960 0.000 0.000 0.211 41 G HA3 -0.077 3.883 3.960 0.000 0.000 0.211 41 G C 0.579 175.529 174.900 0.083 0.000 1.149 41 G CA 0.149 45.230 45.100 -0.032 0.000 0.785 41 G HN 0.186 nan 8.290 nan 0.000 0.536 42 D N -1.019 119.378 120.400 -0.005 0.000 2.402 42 D HA 0.124 4.764 4.640 0.000 0.000 0.216 42 D C 1.137 177.571 176.300 0.222 0.000 1.128 42 D CA -0.485 53.582 54.000 0.111 0.000 0.833 42 D CB 0.154 40.991 40.800 0.063 0.000 0.971 42 D HN 0.231 nan 8.370 nan 0.000 0.503 43 W N -0.263 121.037 121.300 0.000 0.000 2.467 43 W HA 0.071 4.731 4.660 0.000 0.000 0.275 43 W C 0.580 176.982 176.519 -0.196 0.000 1.239 43 W CA 0.167 57.388 57.345 -0.208 0.000 1.266 43 W CB -0.694 28.478 29.460 -0.480 0.000 1.112 43 W HN 0.074 nan 8.180 nan 0.000 0.576 44 F N -0.278 119.942 119.950 0.450 0.000 2.645 44 F HA 0.207 4.734 4.527 0.000 0.000 0.300 44 F C 1.006 176.898 175.800 0.154 0.000 1.115 44 F CA -0.059 58.089 58.000 0.246 0.000 1.355 44 F CB -1.157 37.935 39.000 0.154 0.000 1.026 44 F HN -0.457 nan 8.300 nan 0.000 0.536 45 T N 3.526 118.246 114.554 0.276 0.000 2.868 45 T HA 0.074 4.425 4.350 0.000 0.000 0.292 45 T C -1.178 173.620 174.700 0.164 0.000 1.028 45 T CA -0.995 61.218 62.100 0.188 0.000 1.059 45 T CB 1.059 70.017 68.868 0.148 0.000 0.991 45 T HN -0.041 nan 8.240 nan 0.000 0.531 46 P HA -0.038 nan 4.420 nan 0.000 0.228 46 P C 0.914 178.305 177.300 0.152 0.000 1.151 46 P CA 0.889 64.060 63.100 0.119 0.000 0.770 46 P CB 0.347 32.101 31.700 0.090 0.000 0.786 47 R N -0.236 120.357 120.500 0.155 0.000 2.055 47 R HA 0.093 4.434 4.340 0.000 0.000 0.221 47 R C 2.748 179.198 176.300 0.250 0.000 1.154 47 R CA 1.139 57.350 56.100 0.184 0.000 0.975 47 R CB -1.424 28.916 30.300 0.067 0.000 0.869 47 R HN 0.139 nan 8.270 nan 0.000 0.437 48 G N 1.832 110.741 108.800 0.182 0.000 2.586 48 G HA2 -0.408 3.552 3.960 0.000 0.000 0.218 48 G HA3 -0.408 3.552 3.960 0.000 0.000 0.218 48 G C 1.255 176.344 174.900 0.315 0.000 1.216 48 G CA 1.435 46.667 45.100 0.221 0.000 0.786 48 G HN 0.362 nan 8.290 nan 0.000 0.583 49 E N 0.013 120.421 120.200 0.345 0.000 2.245 49 E HA -0.262 4.088 4.350 0.000 0.000 0.217 49 E C 2.216 179.009 176.600 0.322 0.000 1.069 49 E CA 1.776 58.401 56.400 0.374 0.000 0.877 49 E CB -0.610 29.191 29.700 0.168 0.000 0.757 49 E HN 0.379 nan 8.360 nan 0.000 0.464 50 L N -0.978 120.412 121.223 0.278 0.000 2.044 50 L HA 0.051 4.391 4.340 0.000 0.000 0.205 50 L C 1.984 178.912 176.870 0.097 0.000 1.075 50 L CA 1.667 56.614 54.840 0.179 0.000 0.747 50 L CB -0.542 41.610 42.059 0.154 0.000 0.903 50 L HN 0.170 nan 8.230 nan 0.000 0.435 51 F N -1.357 118.597 119.950 0.007 0.000 2.104 51 F HA -0.012 4.515 4.527 0.000 0.000 0.288 51 F C 2.385 178.091 175.800 -0.157 0.000 1.107 51 F CA 1.455 59.417 58.000 -0.063 0.000 1.208 51 F CB -1.255 37.707 39.000 -0.063 0.000 1.033 51 F HN -0.209 nan 8.300 nan 0.000 0.478 52 V N -1.284 118.623 119.914 -0.010 0.000 2.261 52 V HA -0.292 3.828 4.120 0.000 0.000 0.246 52 V C 1.961 177.734 176.094 -0.534 0.000 1.047 52 V CA 1.862 63.894 62.300 -0.447 0.000 1.015 52 V CB -0.900 30.434 31.823 -0.814 0.000 0.642 52 V HN 0.415 nan 8.190 nan 0.000 0.446 53 W N -0.842 120.377 121.300 -0.135 0.000 2.523 53 W HA 0.041 4.701 4.660 0.000 0.000 0.278 53 W C 2.462 179.072 176.519 0.152 0.000 1.236 53 W CA 0.270 57.610 57.345 -0.009 0.000 1.306 53 W CB -0.126 29.337 29.460 0.006 0.000 1.101 53 W HN 0.123 nan 8.180 nan 0.000 0.577 54 Q N -0.621 119.336 119.800 0.263 0.000 2.356 54 Q HA 0.225 4.565 4.340 0.000 0.000 0.205 54 Q C 1.638 177.606 176.000 -0.054 0.000 0.901 54 Q CA 0.750 56.673 55.803 0.201 0.000 0.938 54 Q CB 0.955 29.788 28.738 0.157 0.000 1.081 54 Q HN 0.434 nan 8.270 nan 0.000 0.517 55 I N -1.187 119.302 120.570 -0.135 0.000 3.746 55 I HA 0.016 4.186 4.170 0.000 0.000 0.262 55 I C 1.970 177.930 176.117 -0.262 0.000 1.153 55 I CA -0.061 61.112 61.300 -0.211 0.000 1.395 55 I CB 0.364 38.245 38.000 -0.200 0.000 1.589 55 I HN -0.037 nan 8.210 nan 0.000 0.441 56 R N 0.676 121.024 120.500 -0.253 0.000 2.066 56 R HA -0.133 4.207 4.340 0.000 0.000 0.232 56 R C 2.161 178.236 176.300 -0.376 0.000 1.131 56 R CA 1.351 57.273 56.100 -0.297 0.000 0.955 56 R CB -0.485 29.626 30.300 -0.314 0.000 0.851 56 R HN 0.172 nan 8.270 nan 0.000 0.432 57 L N 2.080 123.040 121.223 -0.438 0.000 1.971 57 L HA -0.117 4.223 4.340 0.000 0.000 0.215 57 L C -0.950 175.633 176.870 -0.479 0.000 1.072 57 L CA 2.058 56.639 54.840 -0.431 0.000 0.758 57 L CB -1.006 40.845 42.059 -0.348 0.000 0.889 57 L HN 0.073 nan 8.230 nan 0.000 0.433 58 P HA -0.242 nan 4.420 nan 0.000 0.216 58 P C 1.566 178.534 177.300 -0.554 0.000 1.150 58 P CA 1.720 64.146 63.100 -1.123 0.000 0.837 58 P CB -0.195 30.515 31.700 -1.650 0.000 0.786 59 R N -0.185 120.069 120.500 -0.410 0.000 2.070 59 R HA -0.084 4.256 4.340 0.000 0.000 0.232 59 R C 2.324 178.450 176.300 -0.290 0.000 1.138 59 R CA 2.388 58.335 56.100 -0.255 0.000 0.936 59 R CB -1.158 29.018 30.300 -0.207 0.000 0.839 59 R HN 0.032 nan 8.270 nan 0.000 0.429 60 T N 1.919 116.290 114.554 -0.305 0.000 2.685 60 T HA -0.210 4.140 4.350 0.000 0.000 0.268 60 T C 1.762 176.317 174.700 -0.242 0.000 1.034 60 T CA 1.596 63.524 62.100 -0.286 0.000 1.149 60 T CB -0.244 68.462 68.868 -0.270 0.000 0.860 60 T HN 0.220 nan 8.240 nan 0.000 0.449 61 L N 0.187 121.282 121.223 -0.214 0.000 2.046 61 L HA -0.111 4.230 4.340 0.000 0.000 0.208 61 L C 2.779 179.599 176.870 -0.084 0.000 1.077 61 L CA 1.375 56.142 54.840 -0.121 0.000 0.747 61 L CB -0.477 41.531 42.059 -0.086 0.000 0.896 61 L HN 0.293 nan 8.230 nan 0.000 0.432 62 A N -1.149 121.612 122.820 -0.099 0.000 1.929 62 A HA -0.125 4.195 4.320 0.000 0.000 0.216 62 A C 2.162 179.730 177.584 -0.027 0.000 1.176 62 A CA 1.438 53.494 52.037 0.032 0.000 0.628 62 A CB -0.647 18.450 19.000 0.161 0.000 0.816 62 A HN 0.267 nan 8.150 nan 0.000 0.444 63 V N 0.139 119.799 119.914 -0.422 0.000 2.427 63 V HA -0.226 3.895 4.120 0.000 0.000 0.248 63 V C 2.523 178.459 176.094 -0.264 0.000 1.051 63 V CA 1.754 63.608 62.300 -0.744 0.000 1.048 63 V CB -0.666 30.626 31.823 -0.884 0.000 0.666 63 V HN 0.557 nan 8.190 nan 0.000 0.456 64 L N -0.910 120.215 121.223 -0.164 0.000 2.027 64 L HA -0.153 4.187 4.340 0.000 0.000 0.206 64 L C 2.401 179.273 176.870 0.003 0.000 1.074 64 L CA 1.499 56.299 54.840 -0.067 0.000 0.745 64 L CB -0.471 41.557 42.059 -0.051 0.000 0.898 64 L HN 0.290 nan 8.230 nan 0.000 0.433 65 L N -1.025 120.216 121.223 0.031 0.000 2.017 65 L HA -0.200 4.140 4.340 0.000 0.000 0.208 65 L C 2.514 179.449 176.870 0.108 0.000 1.073 65 L CA 0.917 55.808 54.840 0.083 0.000 0.745 65 L CB -0.536 41.587 42.059 0.106 0.000 0.894 65 L HN 0.072 nan 8.230 nan 0.000 0.432 66 V N 0.096 120.092 119.914 0.137 0.000 2.427 66 V HA -0.165 3.955 4.120 0.000 0.000 0.248 66 V C 2.599 178.773 176.094 0.133 0.000 1.051 66 V CA 1.836 64.241 62.300 0.175 0.000 1.048 66 V CB -1.060 30.961 31.823 0.329 0.000 0.666 66 V HN 0.558 nan 8.190 nan 0.000 0.456 67 G N -0.071 108.783 108.800 0.090 0.000 2.480 67 G HA2 -0.270 3.690 3.960 0.000 0.000 0.216 67 G HA3 -0.270 3.690 3.960 0.000 0.000 0.216 67 G C 1.808 176.752 174.900 0.073 0.000 1.200 67 G CA 1.180 46.321 45.100 0.067 0.000 0.782 67 G HN 0.598 nan 8.290 nan 0.000 0.554 68 A N 1.119 123.980 122.820 0.069 0.000 1.908 68 A HA 0.177 4.497 4.320 0.000 0.000 0.218 68 A C 2.843 180.480 177.584 0.088 0.000 1.181 68 A CA 2.585 54.666 52.037 0.074 0.000 0.627 68 A CB -0.899 18.145 19.000 0.073 0.000 0.818 68 A HN 0.924 nan 8.150 nan 0.000 0.445 69 A N -0.217 122.665 122.820 0.103 0.000 1.877 69 A HA -0.074 4.246 4.320 0.000 0.000 0.216 69 A C 2.197 179.843 177.584 0.104 0.000 1.186 69 A CA 1.569 53.676 52.037 0.117 0.000 0.620 69 A CB -0.656 18.423 19.000 0.130 0.000 0.822 69 A HN 0.487 nan 8.150 nan 0.000 0.443 70 L N -0.854 120.426 121.223 0.094 0.000 2.017 70 L HA -0.221 4.119 4.340 0.000 0.000 0.208 70 L C 3.156 180.071 176.870 0.074 0.000 1.073 70 L CA 1.193 56.081 54.840 0.081 0.000 0.745 70 L CB -0.741 41.367 42.059 0.081 0.000 0.894 70 L HN 0.458 nan 8.230 nan 0.000 0.432 71 A N 0.441 123.305 122.820 0.074 0.000 1.865 71 A HA -0.219 4.101 4.320 0.000 0.000 0.217 71 A C 2.224 179.846 177.584 0.064 0.000 1.191 71 A CA 1.766 53.842 52.037 0.065 0.000 0.623 71 A CB -0.763 18.275 19.000 0.064 0.000 0.826 71 A HN 0.345 nan 8.150 nan 0.000 0.444 72 I N -0.167 120.447 120.570 0.073 0.000 2.208 72 I HA -0.252 3.918 4.170 0.000 0.000 0.245 72 I C 2.691 178.861 176.117 0.087 0.000 1.097 72 I CA 1.539 62.886 61.300 0.077 0.000 1.363 72 I CB -0.279 37.773 38.000 0.087 0.000 1.051 72 I HN 0.252 nan 8.210 nan 0.000 0.413 73 S N 0.658 116.415 115.700 0.095 0.000 2.383 73 S HA -0.159 4.311 4.470 0.000 0.000 0.229 73 S C 2.075 176.728 174.600 0.089 0.000 1.030 73 S CA 1.372 59.633 58.200 0.101 0.000 1.002 73 S CB -0.760 62.499 63.200 0.097 0.000 0.829 73 S HN 0.671 nan 8.310 nan 0.000 0.467 74 G N 1.489 110.331 108.800 0.069 0.000 2.453 74 G HA2 -0.095 3.865 3.960 0.000 0.000 0.215 74 G HA3 -0.095 3.865 3.960 0.000 0.000 0.215 74 G C 1.605 176.546 174.900 0.069 0.000 1.201 74 G CA 0.907 46.040 45.100 0.054 0.000 0.784 74 G HN 0.589 nan 8.290 nan 0.000 0.545 75 A N -0.110 122.750 122.820 0.066 0.000 1.978 75 A HA 0.210 4.530 4.320 0.000 0.000 0.220 75 A C 1.645 179.296 177.584 0.112 0.000 1.170 75 A CA 1.138 53.218 52.037 0.071 0.000 0.636 75 A CB -0.548 18.481 19.000 0.049 0.000 0.810 75 A HN 0.263 nan 8.150 nan 0.000 0.448 79 A N 0.602 123.499 122.820 0.129 0.000 1.903 79 A HA 0.016 4.336 4.320 0.000 0.000 0.213 79 A C 1.800 179.393 177.584 0.015 0.000 1.185 79 A CA 0.845 52.932 52.037 0.083 0.000 0.628 79 A CB -0.192 18.850 19.000 0.070 0.000 0.830 79 A HN 0.204 nan 8.150 nan 0.000 0.446 80 L N -1.612 119.611 121.223 -0.001 0.000 2.131 80 L HA 0.029 4.369 4.340 0.000 0.000 0.210 80 L C 1.099 177.745 176.870 -0.373 0.000 1.092 80 L CA 1.684 56.413 54.840 -0.185 0.000 0.759 80 L CB -0.474 41.454 42.059 -0.217 0.000 0.903 80 L HN 0.403 nan 8.230 nan 0.000 0.435 81 F N -0.645 119.314 119.950 0.016 0.000 2.668 81 F HA 0.204 4.731 4.527 0.000 0.000 0.301 81 F C 0.833 176.631 175.800 -0.004 0.000 1.106 81 F CA -0.506 57.497 58.000 0.006 0.000 1.289 81 F CB -0.093 38.918 39.000 0.017 0.000 1.006 81 F HN -0.019 nan 8.300 nan 0.000 0.535 82 E N 1.059 121.318 120.200 0.099 0.000 2.450 82 E HA -0.310 4.040 4.350 0.000 0.000 0.244 82 E C -0.506 176.149 176.600 0.092 0.000 1.226 82 E CA 0.622 57.063 56.400 0.067 0.000 0.720 82 E CB -1.613 28.102 29.700 0.025 0.000 1.254 82 E HN 0.456 nan 8.360 nan 0.000 0.399 83 N N -0.233 118.541 118.700 0.123 0.000 2.500 83 N HA 0.167 4.907 4.740 0.000 0.000 0.291 83 N C -1.948 173.596 175.510 0.057 0.000 1.092 83 N CA -1.985 51.117 53.050 0.085 0.000 0.890 83 N CB 1.459 40.003 38.487 0.094 0.000 1.466 83 N HN -0.309 nan 8.380 nan 0.000 0.507 84 P HA -0.080 nan 4.420 nan 0.000 0.226 84 P C 0.592 177.859 177.300 -0.055 0.000 1.146 84 P CA 0.908 63.998 63.100 -0.017 0.000 0.773 84 P CB 0.516 32.174 31.700 -0.071 0.000 0.772 85 L N -1.493 119.701 121.223 -0.049 0.000 2.640 85 L HA 0.294 4.634 4.340 0.000 0.000 0.230 85 L C 1.174 177.996 176.870 -0.081 0.000 1.123 85 L CA -0.477 54.325 54.840 -0.063 0.000 0.900 85 L CB -0.128 41.907 42.059 -0.040 0.000 1.146 85 L HN -0.153 nan 8.230 nan 0.000 0.484 86 A N 1.506 124.294 122.820 -0.053 0.000 2.450 86 A HA 0.408 4.728 4.320 0.000 0.000 0.255 86 A C 0.078 177.630 177.584 -0.054 0.000 1.096 86 A CA 0.180 52.166 52.037 -0.084 0.000 0.778 86 A CB 0.305 19.287 19.000 -0.030 0.000 1.031 86 A HN 0.373 nan 8.150 nan 0.000 0.494 87 E N 3.482 123.629 120.200 -0.088 0.000 2.380 87 E HA 0.322 4.672 4.350 0.000 0.000 0.281 87 E C -2.572 173.989 176.600 -0.065 0.000 0.999 87 E CA -1.447 54.915 56.400 -0.062 0.000 0.800 87 E CB 1.895 31.532 29.700 -0.106 0.000 1.228 87 E HN 0.281 nan 8.360 nan 0.000 0.436 88 P HA -0.153 nan 4.420 nan 0.000 0.218 88 P C 1.073 178.344 177.300 -0.049 0.000 1.146 88 P CA 1.799 64.887 63.100 -0.019 0.000 0.813 88 P CB 0.130 31.837 31.700 0.011 0.000 0.778 89 G N 1.141 109.901 108.800 -0.067 0.000 2.616 89 G HA2 -0.175 3.785 3.960 0.000 0.000 0.215 89 G HA3 -0.175 3.785 3.960 0.000 0.000 0.215 89 G C 1.694 176.522 174.900 -0.120 0.000 1.284 89 G CA 0.475 45.526 45.100 -0.080 0.000 0.823 89 G HN 0.177 nan 8.290 nan 0.000 0.569 90 L N 0.275 121.380 121.223 -0.197 0.000 2.081 90 L HA -0.063 4.277 4.340 0.000 0.000 0.212 90 L C 2.740 179.520 176.870 -0.151 0.000 1.080 90 L CA 0.787 55.501 54.840 -0.210 0.000 0.754 90 L CB -0.468 41.416 42.059 -0.292 0.000 0.893 90 L HN 0.205 nan 8.230 nan 0.000 0.433 91 L N -0.500 120.635 121.223 -0.146 0.000 2.599 91 L HA 0.089 4.429 4.340 0.000 0.000 0.230 91 L C 1.503 178.312 176.870 -0.102 0.000 1.141 91 L CA 0.519 55.275 54.840 -0.141 0.000 0.877 91 L CB -0.524 41.424 42.059 -0.185 0.000 1.009 91 L HN 0.496 nan 8.230 nan 0.000 0.447 92 G N -0.410 108.339 108.800 -0.085 0.000 2.148 92 G HA2 -0.280 3.681 3.960 0.000 0.000 0.254 92 G HA3 -0.280 3.681 3.960 0.000 0.000 0.254 92 G C 0.759 175.633 174.900 -0.042 0.000 0.981 92 G CA 0.405 45.468 45.100 -0.062 0.000 0.670 92 G HN 0.150 nan 8.290 nan 0.000 0.528 93 V N 0.580 120.472 119.914 -0.037 0.000 2.343 93 V HA -0.187 3.933 4.120 0.000 0.000 0.247 93 V C 2.806 178.893 176.094 -0.011 0.000 1.051 93 V CA 2.823 65.118 62.300 -0.009 0.000 1.036 93 V CB -0.668 31.160 31.823 0.010 0.000 0.654 93 V HN 0.471 nan 8.190 nan 0.000 0.451 94 S N 0.806 116.489 115.700 -0.028 0.000 2.368 94 S HA -0.180 4.290 4.470 0.000 0.000 0.225 94 S C 1.878 176.443 174.600 -0.058 0.000 1.030 94 S CA 1.589 59.762 58.200 -0.045 0.000 0.999 94 S CB -0.438 62.726 63.200 -0.059 0.000 0.844 94 S HN 0.637 nan 8.310 nan 0.000 0.459 95 N N 1.314 119.983 118.700 -0.052 0.000 2.270 95 N HA -0.010 4.730 4.740 0.000 0.000 0.181 95 N C 1.879 177.381 175.510 -0.013 0.000 1.016 95 N CA 1.081 54.104 53.050 -0.045 0.000 0.870 95 N CB -0.841 37.622 38.487 -0.040 0.000 0.979 95 N HN 0.474 nan 8.380 nan 0.000 0.431 96 G N 0.781 109.575 108.800 -0.009 0.000 2.422 96 G HA2 -0.150 3.810 3.960 0.000 0.000 0.218 96 G HA3 -0.150 3.810 3.960 0.000 0.000 0.218 96 G C 1.678 176.594 174.900 0.027 0.000 1.146 96 G CA 1.089 46.194 45.100 0.008 0.000 0.769 96 G HN 0.426 nan 8.290 nan 0.000 0.547 97 A N 1.063 123.896 122.820 0.021 0.000 1.845 97 A HA 0.129 4.449 4.320 0.000 0.000 0.215 97 A C 2.767 180.403 177.584 0.087 0.000 1.195 97 A CA 2.230 54.290 52.037 0.039 0.000 0.616 97 A CB -1.299 17.710 19.000 0.016 0.000 0.832 97 A HN 0.573 nan 8.150 nan 0.000 0.443 98 G N -0.622 108.216 108.800 0.063 0.000 2.469 98 G HA2 -0.164 3.796 3.960 0.000 0.000 0.219 98 G HA3 -0.164 3.796 3.960 0.000 0.000 0.219 98 G C 1.495 176.549 174.900 0.258 0.000 1.150 98 G CA 1.398 46.598 45.100 0.166 0.000 0.763 98 G HN 0.361 nan 8.290 nan 0.000 0.561 99 V N 1.457 121.452 119.914 0.134 0.000 2.407 99 V HA -0.058 4.062 4.120 0.000 0.000 0.248 99 V C 3.113 179.271 176.094 0.106 0.000 1.055 99 V CA 1.893 64.265 62.300 0.120 0.000 1.049 99 V CB -1.002 30.859 31.823 0.063 0.000 0.662 99 V HN 0.445 nan 8.190 nan 0.000 0.455 100 G N -0.361 108.492 108.800 0.088 0.000 2.418 100 G HA2 -0.197 3.763 3.960 0.000 0.000 0.217 100 G HA3 -0.197 3.763 3.960 0.000 0.000 0.217 100 G C 1.618 176.552 174.900 0.056 0.000 1.158 100 G CA 0.837 45.973 45.100 0.059 0.000 0.771 100 G HN 0.441 nan 8.290 nan 0.000 0.545 101 L N 0.105 121.391 121.223 0.106 0.000 1.994 101 L HA -0.050 4.290 4.340 0.000 0.000 0.208 101 L C 2.900 179.750 176.870 -0.032 0.000 1.071 101 L CA 1.011 55.882 54.840 0.052 0.000 0.745 101 L CB -0.302 41.867 42.059 0.183 0.000 0.892 101 L HN 0.207 nan 8.230 nan 0.000 0.431 102 I N -0.521 120.067 120.570 0.031 0.000 2.226 102 I HA -0.285 3.885 4.170 0.000 0.000 0.245 102 I C 2.790 178.925 176.117 0.030 0.000 1.100 102 I CA 1.039 62.344 61.300 0.008 0.000 1.374 102 I CB -0.591 37.477 38.000 0.114 0.000 1.057 102 I HN 0.229 nan 8.210 nan 0.000 0.413 103 A N 1.079 123.930 122.820 0.051 0.000 1.917 103 A HA -0.242 4.078 4.320 0.000 0.000 0.219 103 A C 2.567 180.150 177.584 -0.001 0.000 1.182 103 A CA 2.225 54.286 52.037 0.040 0.000 0.633 103 A CB -0.845 18.176 19.000 0.036 0.000 0.819 103 A HN 0.456 nan 8.150 nan 0.000 0.448 104 A N -0.705 122.098 122.820 -0.028 0.000 1.873 104 A HA 0.014 4.334 4.320 0.000 0.000 0.215 104 A C 2.221 179.757 177.584 -0.079 0.000 1.186 104 A CA 1.730 53.727 52.037 -0.066 0.000 0.616 104 A CB -1.060 17.885 19.000 -0.092 0.000 0.823 104 A HN 0.447 nan 8.150 nan 0.000 0.442 105 V N 0.324 120.186 119.914 -0.087 0.000 2.324 105 V HA -0.296 3.824 4.120 0.000 0.000 0.250 105 V C 2.552 178.616 176.094 -0.051 0.000 1.060 105 V CA 2.093 64.337 62.300 -0.093 0.000 1.042 105 V CB -0.809 30.939 31.823 -0.125 0.000 0.650 105 V HN 0.542 nan 8.190 nan 0.000 0.450 106 L N -1.026 120.186 121.223 -0.018 0.000 1.993 106 L HA -0.092 4.248 4.340 0.000 0.000 0.206 106 L C 2.366 179.202 176.870 -0.055 0.000 1.074 106 L CA 1.393 56.224 54.840 -0.015 0.000 0.746 106 L CB -0.635 41.432 42.059 0.015 0.000 0.896 106 L HN 0.238 nan 8.230 nan 0.000 0.435 107 L N 0.052 121.247 121.223 -0.047 0.000 2.263 107 L HA -0.170 4.170 4.340 0.000 0.000 0.216 107 L C 2.076 178.909 176.870 -0.061 0.000 1.111 107 L CA 1.146 55.954 54.840 -0.053 0.000 0.773 107 L CB -0.787 41.248 42.059 -0.040 0.000 0.906 107 L HN 0.388 nan 8.230 nan 0.000 0.439 108 G N -2.440 106.319 108.800 -0.068 0.000 3.159 108 G HA2 0.035 3.995 3.960 0.000 0.000 0.232 108 G HA3 0.035 3.995 3.960 0.000 0.000 0.232 108 G C 0.745 175.605 174.900 -0.067 0.000 1.116 108 G CA -0.255 44.800 45.100 -0.075 0.000 0.767 108 G HN 0.359 nan 8.290 nan 0.000 0.547 109 Q N -1.091 118.673 119.800 -0.059 0.000 2.407 109 Q HA -0.273 4.067 4.340 0.000 0.000 0.277 109 Q C 1.566 177.539 176.000 -0.045 0.000 1.161 109 Q CA 0.590 56.365 55.803 -0.047 0.000 0.924 109 Q CB -1.464 27.246 28.738 -0.048 0.000 1.318 109 Q HN 1.099 nan 8.270 nan 0.000 0.513 110 G N -0.330 108.434 108.800 -0.059 0.000 2.176 110 G HA2 -0.362 3.598 3.960 0.000 0.000 0.253 110 G HA3 -0.362 3.598 3.960 0.000 0.000 0.253 110 G C 0.141 175.003 174.900 -0.064 0.000 0.979 110 G CA 0.485 45.546 45.100 -0.065 0.000 0.641 110 G HN 0.437 nan 8.290 nan 0.000 0.530 111 Q N -0.169 119.593 119.800 -0.064 0.000 2.341 111 Q HA 0.653 4.993 4.340 0.000 0.000 0.325 111 Q C -0.103 175.848 176.000 -0.081 0.000 0.920 111 Q CA -0.182 55.586 55.803 -0.058 0.000 1.065 111 Q CB 0.084 28.797 28.738 -0.043 0.000 1.218 111 Q HN 0.485 nan 8.270 nan 0.000 0.434 112 L N 2.200 123.354 121.223 -0.116 0.000 2.376 112 L HA 0.545 4.886 4.340 0.000 0.000 0.275 112 L C -2.105 174.630 176.870 -0.224 0.000 0.987 112 L CA -2.210 52.519 54.840 -0.184 0.000 0.828 112 L CB 1.805 43.742 42.059 -0.202 0.000 1.249 112 L HN 0.238 nan 8.230 nan 0.000 0.409 113 P HA -0.042 nan 4.420 nan 0.000 0.269 113 P C -0.139 176.967 177.300 -0.325 0.000 1.205 113 P CA -0.068 62.874 63.100 -0.263 0.000 0.780 113 P CB 0.788 32.320 31.700 -0.280 0.000 0.858 114 N N 0.794 119.438 118.700 -0.093 0.000 2.289 114 N HA -0.113 4.627 4.740 0.000 0.000 0.184 114 N C 1.791 177.286 175.510 -0.026 0.000 1.016 114 N CA 1.341 54.368 53.050 -0.039 0.000 0.872 114 N CB -0.330 38.202 38.487 0.074 0.000 0.973 114 N HN 0.676 nan 8.380 nan 0.000 0.433 115 W N 1.085 122.363 121.300 -0.037 0.000 2.409 115 W HA 0.221 4.881 4.660 0.000 0.000 0.299 115 W C 1.705 178.202 176.519 -0.037 0.000 1.203 115 W CA 0.606 57.925 57.345 -0.043 0.000 1.298 115 W CB -1.078 28.349 29.460 -0.054 0.000 1.127 115 W HN -0.083 nan 8.180 nan 0.000 0.528 116 A N 1.404 123.592 122.820 -1.053 0.000 2.225 116 A HA 0.016 4.336 4.320 0.000 0.000 0.215 116 A C 2.154 179.501 177.584 -0.395 0.000 1.164 116 A CA 1.214 52.714 52.037 -0.896 0.000 0.710 116 A CB -0.781 17.479 19.000 -1.233 0.000 0.780 116 A HN 0.408 nan 8.150 nan 0.000 0.473 117 L N -2.030 119.021 121.223 -0.287 0.000 2.298 117 L HA 0.118 4.458 4.340 0.000 0.000 0.209 117 L C 2.641 179.453 176.870 -0.097 0.000 1.084 117 L CA 0.686 55.423 54.840 -0.173 0.000 0.816 117 L CB -0.462 41.498 42.059 -0.163 0.000 0.967 117 L HN 0.408 nan 8.230 nan 0.000 0.460 118 G N 0.320 109.076 108.800 -0.073 0.000 2.421 118 G HA2 -0.116 3.844 3.960 0.000 0.000 0.217 118 G HA3 -0.116 3.844 3.960 0.000 0.000 0.217 118 G C 1.607 176.464 174.900 -0.072 0.000 1.143 118 G CA 0.254 45.316 45.100 -0.064 0.000 0.784 118 G HN 0.157 nan 8.290 nan 0.000 0.541 119 L N 0.850 122.060 121.223 -0.022 0.000 2.093 119 L HA -0.052 4.288 4.340 0.000 0.000 0.208 119 L C 3.125 180.002 176.870 0.012 0.000 1.085 119 L CA 0.942 55.799 54.840 0.029 0.000 0.755 119 L CB -0.299 41.820 42.059 0.101 0.000 0.904 119 L HN 0.159 nan 8.230 nan 0.000 0.435 120 S N 0.134 115.822 115.700 -0.020 0.000 2.368 120 S HA -0.176 4.294 4.470 0.000 0.000 0.225 120 S C 2.227 176.834 174.600 0.013 0.000 1.030 120 S CA 1.207 59.401 58.200 -0.010 0.000 0.999 120 S CB -0.278 62.902 63.200 -0.034 0.000 0.844 120 S HN 0.503 nan 8.310 nan 0.000 0.459 121 A N 1.634 124.460 122.820 0.010 0.000 1.877 121 A HA -0.074 4.246 4.320 0.000 0.000 0.216 121 A C 2.075 179.671 177.584 0.019 0.000 1.186 121 A CA 1.312 53.367 52.037 0.030 0.000 0.620 121 A CB -0.774 18.242 19.000 0.027 0.000 0.822 121 A HN 0.467 nan 8.150 nan 0.000 0.443 122 I N -0.204 120.366 120.570 -0.000 0.000 2.099 122 I HA -0.312 3.858 4.170 0.000 0.000 0.239 122 I C 3.013 179.169 176.117 0.065 0.000 1.066 122 I CA 1.271 62.591 61.300 0.033 0.000 1.324 122 I CB -0.506 37.526 38.000 0.054 0.000 1.037 122 I HN 0.353 nan 8.210 nan 0.000 0.401 123 A N 0.958 123.815 122.820 0.062 0.000 1.986 123 A HA -0.180 4.140 4.320 0.000 0.000 0.220 123 A C 2.395 180.008 177.584 0.049 0.000 1.171 123 A CA 2.100 54.173 52.037 0.060 0.000 0.640 123 A CB -1.498 17.531 19.000 0.048 0.000 0.811 123 A HN 0.531 nan 8.150 nan 0.000 0.451 124 G N -0.668 108.158 108.800 0.042 0.000 2.433 124 G HA2 0.018 3.978 3.960 0.000 0.000 0.216 124 G HA3 0.018 3.978 3.960 0.000 0.000 0.216 124 G C 1.771 176.695 174.900 0.040 0.000 1.186 124 G CA 1.411 46.534 45.100 0.038 0.000 0.779 124 G HN 0.825 nan 8.290 nan 0.000 0.543 125 A N 0.421 123.268 122.820 0.045 0.000 1.930 125 A HA 0.135 4.455 4.320 0.000 0.000 0.217 125 A C 2.450 180.075 177.584 0.068 0.000 1.175 125 A CA 1.181 53.248 52.037 0.050 0.000 0.627 125 A CB -0.377 18.654 19.000 0.053 0.000 0.815 125 A HN 0.353 nan 8.150 nan 0.000 0.443 126 L N -0.307 120.963 121.223 0.077 0.000 2.017 126 L HA -0.190 4.150 4.340 0.000 0.000 0.208 126 L C 2.442 179.358 176.870 0.076 0.000 1.073 126 L CA 0.859 55.751 54.840 0.087 0.000 0.745 126 L CB -0.533 41.579 42.059 0.088 0.000 0.894 126 L HN 0.308 nan 8.230 nan 0.000 0.432 127 I N 0.100 120.705 120.570 0.060 0.000 2.163 127 I HA -0.333 3.837 4.170 0.000 0.000 0.243 127 I C 2.565 178.712 176.117 0.051 0.000 1.085 127 I CA 1.882 63.212 61.300 0.049 0.000 1.347 127 I CB -0.723 37.297 38.000 0.033 0.000 1.044 127 I HN 0.253 nan 8.210 nan 0.000 0.408 128 I N 0.754 121.351 120.570 0.045 0.000 2.226 128 I HA -0.310 3.860 4.170 0.000 0.000 0.245 128 I C 2.647 178.807 176.117 0.071 0.000 1.100 128 I CA 2.044 63.366 61.300 0.037 0.000 1.374 128 I CB -0.532 37.477 38.000 0.015 0.000 1.057 128 I HN 0.371 nan 8.210 nan 0.000 0.413 129 T N -0.515 114.105 114.554 0.109 0.000 2.821 129 T HA -0.106 4.244 4.350 0.000 0.000 0.267 129 T C 1.925 176.760 174.700 0.226 0.000 1.046 129 T CA 0.767 62.989 62.100 0.203 0.000 1.139 129 T CB -0.732 68.273 68.868 0.228 0.000 0.871 129 T HN 0.231 nan 8.240 nan 0.000 0.454 130 L N 0.217 121.527 121.223 0.146 0.000 2.042 130 L HA 0.000 4.340 4.340 0.000 0.000 0.210 130 L C 2.760 179.711 176.870 0.134 0.000 1.076 130 L CA 1.358 56.272 54.840 0.124 0.000 0.749 130 L CB -0.540 41.570 42.059 0.085 0.000 0.893 130 L HN 0.275 nan 8.230 nan 0.000 0.432 131 I N -0.637 120.002 120.570 0.115 0.000 2.252 131 I HA -0.300 3.870 4.170 0.000 0.000 0.245 131 I C 2.315 178.532 176.117 0.166 0.000 1.102 131 I CA 1.242 62.604 61.300 0.103 0.000 1.385 131 I CB -0.140 37.887 38.000 0.046 0.000 1.064 131 I HN 0.218 nan 8.210 nan 0.000 0.414 132 L N -0.074 121.265 121.223 0.194 0.000 2.201 132 L HA -0.179 4.162 4.340 0.000 0.000 0.212 132 L C 2.456 179.634 176.870 0.515 0.000 1.105 132 L CA 0.775 55.779 54.840 0.274 0.000 0.775 132 L CB -0.286 41.822 42.059 0.081 0.000 0.913 132 L HN 0.319 nan 8.230 nan 0.000 0.440 133 L N -0.626 120.876 121.223 0.466 0.000 2.044 133 L HA -0.151 4.189 4.340 0.000 0.000 0.205 133 L C 2.941 179.936 176.870 0.209 0.000 1.075 133 L CA 1.184 56.212 54.840 0.314 0.000 0.747 133 L CB -0.426 41.699 42.059 0.111 0.000 0.903 133 L HN 0.304 nan 8.230 nan 0.000 0.435 134 R N -0.348 120.266 120.500 0.191 0.000 2.094 134 R HA -0.245 4.095 4.340 0.000 0.000 0.239 134 R C 2.029 178.446 176.300 0.196 0.000 1.137 134 R CA 1.532 57.725 56.100 0.154 0.000 0.943 134 R CB -1.434 28.951 30.300 0.141 0.000 0.850 134 R HN 0.277 nan 8.270 nan 0.000 0.433 135 F N 1.454 121.460 119.950 0.093 0.000 2.408 135 F HA -0.079 4.448 4.527 0.000 0.000 0.300 135 F C 1.992 177.855 175.800 0.106 0.000 1.090 135 F CA 0.868 58.917 58.000 0.082 0.000 1.427 135 F CB -0.161 38.879 39.000 0.066 0.000 1.070 135 F HN 0.041 nan 8.300 nan 0.000 0.549 136 A N 0.111 122.988 122.820 0.096 0.000 2.021 136 A HA -0.013 4.307 4.320 0.000 0.000 0.216 136 A C 2.224 179.772 177.584 -0.060 0.000 1.163 136 A CA 0.362 52.415 52.037 0.027 0.000 0.676 136 A CB -0.412 18.741 19.000 0.255 0.000 0.818 136 A HN 0.200 nan 8.150 nan 0.000 0.453 137 R N 0.002 120.484 120.500 -0.031 0.000 2.159 137 R HA -0.095 4.246 4.340 0.000 0.000 0.237 137 R C 1.626 177.890 176.300 -0.060 0.000 1.131 137 R CA 1.205 57.279 56.100 -0.043 0.000 0.982 137 R CB -0.543 29.754 30.300 -0.004 0.000 0.868 137 R HN 0.600 nan 8.270 nan 0.000 0.453 138 R N 0.685 121.133 120.500 -0.087 0.000 2.788 138 R HA -0.018 4.322 4.340 0.000 0.000 0.264 138 R C -0.542 175.729 176.300 -0.048 0.000 1.267 138 R CA 0.054 56.109 56.100 -0.075 0.000 1.213 138 R CB -0.437 29.799 30.300 -0.107 0.000 1.256 138 R HN 0.196 nan 8.270 nan 0.000 0.556 139 H N -0.793 118.203 119.070 -0.122 0.000 3.770 139 H HA -0.220 4.336 4.556 0.000 0.000 0.267 139 H C -1.173 174.069 175.328 -0.144 0.000 0.747 139 H CA 1.379 57.371 56.048 -0.093 0.000 0.948 139 H CB -0.124 29.599 29.762 -0.065 0.000 1.026 139 H HN 0.261 nan 8.280 nan 0.000 0.629 140 L N 1.918 123.216 121.223 0.125 0.000 2.811 140 L HA 0.055 4.395 4.340 0.000 0.000 0.251 140 L C -0.135 176.766 176.870 0.052 0.000 0.971 140 L CA -0.191 54.647 54.840 -0.004 0.000 0.990 140 L CB 1.449 43.478 42.059 -0.051 0.000 1.320 140 L HN 0.534 nan 8.230 nan 0.000 0.473 141 S N 0.699 116.417 115.700 0.030 0.000 2.555 141 S HA -0.006 4.464 4.470 0.000 0.000 0.293 141 S C 1.534 176.154 174.600 0.034 0.000 1.248 141 S CA 0.409 58.625 58.200 0.026 0.000 1.096 141 S CB 0.631 63.835 63.200 0.007 0.000 0.881 141 S HN 0.670 nan 8.310 nan 0.000 0.498 142 T N 5.144 119.718 114.554 0.032 0.000 2.736 142 T HA -0.205 4.145 4.350 0.000 0.000 0.265 142 T C 1.964 176.683 174.700 0.030 0.000 1.031 142 T CA 2.361 64.478 62.100 0.028 0.000 1.155 142 T CB -0.530 68.345 68.868 0.011 0.000 0.849 142 T HN 0.757 nan 8.240 nan 0.000 0.471 143 S N 1.003 116.721 115.700 0.030 0.000 2.382 143 S HA -0.086 4.385 4.470 0.000 0.000 0.228 143 S C 2.078 176.715 174.600 0.060 0.000 1.027 143 S CA 0.882 59.103 58.200 0.036 0.000 0.991 143 S CB -0.216 63.000 63.200 0.028 0.000 0.823 143 S HN 0.594 nan 8.310 nan 0.000 0.469 144 R N 0.571 121.124 120.500 0.089 0.000 2.092 144 R HA 0.040 4.380 4.340 0.000 0.000 0.231 144 R C 2.276 178.735 176.300 0.264 0.000 1.119 144 R CA 0.945 57.150 56.100 0.175 0.000 0.970 144 R CB -0.547 29.867 30.300 0.190 0.000 0.864 144 R HN 0.288 nan 8.270 nan 0.000 0.440 145 L N 1.107 122.440 121.223 0.183 0.000 2.072 145 L HA -0.044 4.296 4.340 0.000 0.000 0.205 145 L C 2.054 178.942 176.870 0.031 0.000 1.079 145 L CA 1.346 56.279 54.840 0.155 0.000 0.752 145 L CB -0.359 41.720 42.059 0.034 0.000 0.906 145 L HN 0.153 nan 8.230 nan 0.000 0.436 146 L N -1.289 119.939 121.223 0.009 0.000 2.046 146 L HA -0.225 4.115 4.340 0.000 0.000 0.208 146 L C 2.424 179.281 176.870 -0.021 0.000 1.077 146 L CA 1.493 56.318 54.840 -0.025 0.000 0.747 146 L CB -0.158 41.902 42.059 0.002 0.000 0.896 146 L HN 0.337 nan 8.230 nan 0.000 0.432 147 L N -0.466 120.763 121.223 0.011 0.000 2.005 147 L HA -0.187 4.154 4.340 0.000 0.000 0.207 147 L C 2.852 179.694 176.870 -0.046 0.000 1.072 147 L CA 1.244 56.082 54.840 -0.004 0.000 0.744 147 L CB -0.791 41.280 42.059 0.020 0.000 0.895 147 L HN 0.311 nan 8.230 nan 0.000 0.433 148 A N 0.206 122.988 122.820 -0.062 0.000 1.940 148 A HA -0.143 4.177 4.320 0.000 0.000 0.219 148 A C 2.355 179.850 177.584 -0.148 0.000 1.176 148 A CA 1.789 53.712 52.037 -0.190 0.000 0.631 148 A CB -1.201 17.551 19.000 -0.413 0.000 0.814 148 A HN 0.480 nan 8.150 nan 0.000 0.446 149 G N -0.594 108.143 108.800 -0.106 0.000 2.404 149 G HA2 -0.092 3.868 3.960 0.000 0.000 0.215 149 G HA3 -0.092 3.868 3.960 0.000 0.000 0.215 149 G C 1.488 176.330 174.900 -0.097 0.000 1.174 149 G CA 1.173 46.205 45.100 -0.113 0.000 0.780 149 G HN 0.321 nan 8.290 nan 0.000 0.537 150 V N 1.599 121.464 119.914 -0.082 0.000 2.407 150 V HA -0.134 3.986 4.120 0.000 0.000 0.248 150 V C 3.281 179.338 176.094 -0.062 0.000 1.055 150 V CA 1.957 64.216 62.300 -0.067 0.000 1.049 150 V CB -0.772 31.023 31.823 -0.047 0.000 0.662 150 V HN 0.480 nan 8.190 nan 0.000 0.455 151 A N -0.221 122.556 122.820 -0.072 0.000 1.898 151 A HA -0.103 4.217 4.320 0.000 0.000 0.216 151 A C 2.197 179.735 177.584 -0.076 0.000 1.181 151 A CA 1.533 53.526 52.037 -0.073 0.000 0.620 151 A CB -0.487 18.459 19.000 -0.091 0.000 0.819 151 A HN 0.491 nan 8.150 nan 0.000 0.442 152 L N -0.614 120.556 121.223 -0.090 0.000 2.131 152 L HA -0.126 4.215 4.340 0.000 0.000 0.210 152 L C 2.758 179.591 176.870 -0.061 0.000 1.092 152 L CA 0.943 55.735 54.840 -0.080 0.000 0.759 152 L CB -0.705 41.304 42.059 -0.085 0.000 0.903 152 L HN 0.510 nan 8.230 nan 0.000 0.435 153 G N 0.320 109.083 108.800 -0.061 0.000 2.408 153 G HA2 -0.192 3.768 3.960 0.000 0.000 0.217 153 G HA3 -0.192 3.768 3.960 0.000 0.000 0.217 153 G C 1.568 176.445 174.900 -0.039 0.000 1.150 153 G CA 0.535 45.605 45.100 -0.050 0.000 0.776 153 G HN 0.304 nan 8.290 nan 0.000 0.542 154 I N 0.539 121.085 120.570 -0.039 0.000 2.353 154 I HA -0.041 4.129 4.170 0.000 0.000 0.248 154 I C 2.517 178.616 176.117 -0.030 0.000 1.119 154 I CA 0.559 61.841 61.300 -0.029 0.000 1.417 154 I CB -0.152 37.832 38.000 -0.028 0.000 1.078 154 I HN 0.132 nan 8.210 nan 0.000 0.421 155 I N 0.192 120.736 120.570 -0.043 0.000 2.361 155 I HA -0.236 3.934 4.170 0.000 0.000 0.251 155 I C 2.511 178.601 176.117 -0.043 0.000 1.133 155 I CA 1.104 62.373 61.300 -0.051 0.000 1.413 155 I CB -0.334 37.627 38.000 -0.065 0.000 1.073 155 I HN 0.151 nan 8.210 nan 0.000 0.424 156 S N 0.318 115.998 115.700 -0.033 0.000 2.371 156 S HA -0.121 4.349 4.470 0.000 0.000 0.224 156 S C 2.224 176.826 174.600 0.004 0.000 1.029 156 S CA 1.471 59.661 58.200 -0.017 0.000 0.978 156 S CB -0.102 63.088 63.200 -0.017 0.000 0.833 156 S HN 0.381 nan 8.310 nan 0.000 0.466 157 S N 1.957 117.657 115.700 0.001 0.000 2.368 157 S HA -0.025 4.445 4.470 0.000 0.000 0.225 157 S C 2.282 176.906 174.600 0.039 0.000 1.030 157 S CA 0.940 59.150 58.200 0.016 0.000 0.999 157 S CB -0.540 62.661 63.200 0.002 0.000 0.844 157 S HN 0.593 nan 8.310 nan 0.000 0.459 158 A N 1.844 124.678 122.820 0.024 0.000 1.865 158 A HA 0.037 4.357 4.320 0.000 0.000 0.217 158 A C 1.226 178.856 177.584 0.076 0.000 1.191 158 A CA 0.913 52.976 52.037 0.043 0.000 0.623 158 A CB -0.835 18.167 19.000 0.004 0.000 0.826 158 A HN 0.403 nan 8.150 nan 0.000 0.444 162 W N 3.770 125.142 121.300 0.120 0.000 2.358 162 W HA 0.196 4.856 4.660 0.000 0.000 0.303 162 W C 1.809 178.587 176.519 0.431 0.000 1.208 162 W CA 1.548 58.988 57.345 0.159 0.000 1.274 162 W CB -1.013 28.475 29.460 0.047 0.000 1.138 162 W HN 0.314 nan 8.180 nan 0.000 0.515 163 A N 1.315 124.588 122.820 0.755 0.000 1.872 163 A HA -0.107 4.214 4.320 0.000 0.000 0.214 163 A C 2.221 180.071 177.584 0.443 0.000 1.187 163 A CA 1.896 54.320 52.037 0.645 0.000 0.614 163 A CB -1.092 18.232 19.000 0.540 0.000 0.826 163 A HN 0.303 nan 8.150 nan 0.000 0.442 164 I N -0.407 120.293 120.570 0.218 0.000 2.399 164 I HA -0.323 3.847 4.170 0.000 0.000 0.254 164 I C 2.397 178.337 176.117 -0.295 0.000 1.146 164 I CA 1.737 62.983 61.300 -0.090 0.000 1.412 164 I CB -0.599 37.394 38.000 -0.013 0.000 1.076 164 I HN 0.701 nan 8.210 nan 0.000 0.432 165 Y N 1.827 122.066 120.300 -0.103 0.000 2.556 165 Y HA -0.259 4.291 4.550 0.000 0.000 0.290 165 Y C 1.899 177.728 175.900 -0.118 0.000 1.149 165 Y CA 0.909 58.937 58.100 -0.122 0.000 1.329 165 Y CB -1.239 37.138 38.460 -0.140 0.000 0.975 165 Y HN 0.299 nan 8.280 nan 0.000 0.561 166 F N 0.576 119.978 119.950 -0.914 0.000 2.776 166 F HA 0.372 4.899 4.527 0.000 0.000 0.300 166 F C 0.772 176.352 175.800 -0.367 0.000 1.116 166 F CA -0.538 56.952 58.000 -0.849 0.000 1.375 166 F CB -0.890 37.653 39.000 -0.761 0.000 1.109 166 F HN 0.045 nan 8.300 nan 0.000 0.585 167 S N 0.168 115.364 115.700 -0.840 0.000 2.646 167 S HA 0.464 4.934 4.470 0.000 0.000 0.276 167 S C 0.242 174.680 174.600 -0.270 0.000 1.222 167 S CA -0.566 57.290 58.200 -0.574 0.000 1.014 167 S CB 1.109 63.924 63.200 -0.642 0.000 0.991 167 S HN 0.177 nan 8.310 nan 0.000 0.533 168 T N 2.297 116.753 114.554 -0.162 0.000 2.701 168 T HA 0.142 4.492 4.350 0.000 0.000 0.303 168 T C 1.888 176.532 174.700 -0.094 0.000 1.030 168 T CA 0.113 62.154 62.100 -0.099 0.000 1.010 168 T CB 0.409 69.236 68.868 -0.068 0.000 1.007 168 T HN 0.942 nan 8.240 nan 0.000 0.532 169 S N 0.243 115.909 115.700 -0.057 0.000 2.370 169 S HA -0.143 4.327 4.470 0.000 0.000 0.226 169 S C 2.096 176.681 174.600 -0.026 0.000 1.033 169 S CA 1.482 59.661 58.200 -0.035 0.000 1.011 169 S CB -0.961 62.230 63.200 -0.016 0.000 0.852 169 S HN 0.447 nan 8.310 nan 0.000 0.457 170 V N 3.053 122.948 119.914 -0.031 0.000 2.392 170 V HA -0.188 3.932 4.120 0.000 0.000 0.249 170 V C 2.339 178.414 176.094 -0.031 0.000 1.059 170 V CA 2.237 64.523 62.300 -0.024 0.000 1.051 170 V CB -0.911 30.894 31.823 -0.030 0.000 0.658 170 V HN 0.476 nan 8.190 nan 0.000 0.455 171 D N -0.288 120.071 120.400 -0.069 0.000 2.178 171 D HA -0.108 4.532 4.640 0.000 0.000 0.202 171 D C 1.932 178.181 176.300 -0.085 0.000 0.974 171 D CA 0.978 54.915 54.000 -0.105 0.000 0.841 171 D CB -0.184 40.491 40.800 -0.208 0.000 0.953 171 D HN 0.423 nan 8.370 nan 0.000 0.478 172 L N 1.013 122.194 121.223 -0.070 0.000 2.023 172 L HA -0.049 4.291 4.340 0.000 0.000 0.205 172 L C 2.030 178.925 176.870 0.041 0.000 1.073 172 L CA 1.579 56.397 54.840 -0.036 0.000 0.745 172 L CB -0.248 41.785 42.059 -0.044 0.000 0.900 172 L HN -0.223 nan 8.230 nan 0.000 0.435 173 R N -0.154 120.405 120.500 0.098 0.000 2.091 173 R HA -0.161 4.179 4.340 0.000 0.000 0.238 173 R C 2.205 178.722 176.300 0.361 0.000 1.136 173 R CA 1.856 58.126 56.100 0.284 0.000 0.959 173 R CB -0.704 29.764 30.300 0.280 0.000 0.856 173 R HN 0.638 nan 8.270 nan 0.000 0.437 174 Q N 0.482 120.380 119.800 0.163 0.000 1.993 174 Q HA -0.068 4.272 4.340 0.000 0.000 0.202 174 Q C 1.122 177.227 176.000 0.174 0.000 0.984 174 Q CA 0.965 56.843 55.803 0.125 0.000 0.837 174 Q CB -0.264 28.488 28.738 0.024 0.000 0.902 174 Q HN 0.221 nan 8.270 nan 0.000 0.423 182 G N -1.080 107.606 108.800 -0.190 0.000 2.355 182 G HA2 0.531 4.491 3.960 0.000 0.000 0.296 182 G HA3 0.531 4.491 3.960 0.000 0.000 0.296 182 G C -1.277 173.500 174.900 -0.205 0.000 1.507 182 G CA -0.622 44.442 45.100 -0.061 0.000 0.823 182 G HN 0.771 nan 8.290 nan 0.000 0.569 183 F N 1.983 121.921 119.950 -0.020 0.000 2.942 183 F HA 0.388 4.915 4.527 0.000 0.000 0.324 183 F C 1.745 177.519 175.800 -0.043 0.000 1.265 183 F CA 0.056 58.037 58.000 -0.032 0.000 1.255 183 F CB 0.958 39.926 39.000 -0.054 0.000 1.048 183 F HN 0.666 nan 8.300 nan 0.000 0.512 184 G N 0.600 109.448 108.800 0.079 0.000 2.575 184 G HA2 -0.143 3.817 3.960 0.000 0.000 0.215 184 G HA3 -0.143 3.817 3.960 0.000 0.000 0.215 184 G C 1.758 176.661 174.900 0.004 0.000 1.262 184 G CA 0.628 45.748 45.100 0.033 0.000 0.807 184 G HN 0.510 nan 8.290 nan 0.000 0.567 185 G N -0.212 108.587 108.800 -0.003 0.000 3.374 185 G HA2 0.362 4.322 3.960 0.000 0.000 0.252 185 G HA3 0.362 4.322 3.960 0.000 0.000 0.252 185 G C -0.228 174.659 174.900 -0.022 0.000 1.326 185 G CA -0.242 44.847 45.100 -0.019 0.000 1.133 185 G HN 0.293 nan 8.290 nan 0.000 0.528 186 V N 2.192 122.097 119.914 -0.016 0.000 2.406 186 V HA 0.396 4.516 4.120 0.000 0.000 0.272 186 V C -0.262 175.755 176.094 -0.127 0.000 1.043 186 V CA -0.505 61.775 62.300 -0.033 0.000 0.915 186 V CB 1.161 33.016 31.823 0.053 0.000 0.988 186 V HN 0.617 nan 8.190 nan 0.000 0.466 187 D N 2.784 123.082 120.400 -0.169 0.000 2.895 187 D HA 0.110 4.750 4.640 0.000 0.000 0.320 187 D C 0.395 176.507 176.300 -0.313 0.000 1.249 187 D CA -0.769 53.050 54.000 -0.301 0.000 0.997 187 D CB 0.698 41.401 40.800 -0.163 0.000 1.430 187 D HN 0.298 nan 8.370 nan 0.000 0.558 188 W N 0.271 121.546 121.300 -0.042 0.000 2.538 188 W HA 0.060 4.720 4.660 0.000 0.000 0.254 188 W C 2.405 178.867 176.519 -0.095 0.000 1.249 188 W CA 0.171 57.475 57.345 -0.068 0.000 1.253 188 W CB -0.013 29.405 29.460 -0.070 0.000 1.130 188 W HN 0.237 nan 8.180 nan 0.000 0.618 189 R N 1.036 121.590 120.500 0.090 0.000 2.293 189 R HA -0.160 4.180 4.340 0.000 0.000 0.219 189 R C 0.671 176.994 176.300 0.039 0.000 1.091 189 R CA 1.107 57.237 56.100 0.049 0.000 1.004 189 R CB -0.103 30.223 30.300 0.044 0.000 0.865 189 R HN 0.262 nan 8.270 nan 0.000 0.469 190 Q N -1.011 118.812 119.800 0.039 0.000 2.182 190 Q HA 0.198 4.538 4.340 0.000 0.000 0.270 190 Q C 0.626 176.678 176.000 0.087 0.000 0.861 190 Q CA -0.300 55.548 55.803 0.076 0.000 1.098 190 Q CB 1.518 30.296 28.738 0.068 0.000 1.188 190 Q HN 0.110 nan 8.270 nan 0.000 0.464 191 S N -0.357 115.356 115.700 0.021 0.000 2.419 191 S HA -0.144 4.326 4.470 0.000 0.000 0.233 191 S C 1.001 175.655 174.600 0.090 0.000 1.016 191 S CA 0.854 59.079 58.200 0.042 0.000 0.974 191 S CB -0.062 63.100 63.200 -0.064 0.000 0.786 191 S HN 0.583 nan 8.310 nan 0.000 0.492 192 W N 1.906 123.287 121.300 0.136 0.000 2.332 192 W HA -0.040 4.621 4.660 0.000 0.000 0.321 192 W C 0.996 177.587 176.519 0.121 0.000 1.219 192 W CA -0.095 57.321 57.345 0.118 0.000 1.277 192 W CB -0.443 29.080 29.460 0.106 0.000 1.161 192 W HN 0.191 nan 8.180 nan 0.000 0.476 196 A N 0.208 123.238 122.820 0.350 0.000 2.015 196 A HA -0.068 4.252 4.320 0.000 0.000 0.219 196 A C 1.911 179.857 177.584 0.603 0.000 1.163 196 A CA 1.350 53.686 52.037 0.499 0.000 0.646 196 A CB -0.269 18.972 19.000 0.401 0.000 0.806 196 A HN 0.370 nan 8.150 nan 0.000 0.448 197 L N -0.640 120.811 121.223 0.379 0.000 2.095 197 L HA -0.077 4.263 4.340 0.000 0.000 0.204 197 L C 2.399 179.459 176.870 0.316 0.000 1.080 197 L CA 0.929 55.984 54.840 0.358 0.000 0.759 197 L CB -0.366 41.827 42.059 0.224 0.000 0.914 197 L HN 0.397 nan 8.230 nan 0.000 0.439 198 I N 0.607 121.328 120.570 0.252 0.000 2.113 198 I HA -0.277 3.893 4.170 0.000 0.000 0.242 198 I C -0.284 175.949 176.117 0.193 0.000 1.064 198 I CA 1.671 63.092 61.300 0.202 0.000 1.320 198 I CB -1.954 36.151 38.000 0.175 0.000 1.028 198 I HN 0.262 nan 8.210 nan 0.000 0.406 199 P HA -0.130 nan 4.420 nan 0.000 0.214 199 P C 1.991 179.394 177.300 0.172 0.000 1.163 199 P CA 1.641 64.825 63.100 0.139 0.000 0.883 199 P CB -0.164 31.578 31.700 0.069 0.000 0.788 200 V N 0.330 120.337 119.914 0.155 0.000 2.332 200 V HA -0.225 3.895 4.120 0.000 0.000 0.248 200 V C 2.882 179.150 176.094 0.289 0.000 1.055 200 V CA 1.468 63.891 62.300 0.206 0.000 1.038 200 V CB -1.306 30.612 31.823 0.157 0.000 0.651 200 V HN 0.008 nan 8.190 nan 0.000 0.450 201 L N -0.813 120.560 121.223 0.250 0.000 1.971 201 L HA -0.240 4.100 4.340 0.000 0.000 0.215 201 L C 2.434 179.407 176.870 0.171 0.000 1.072 201 L CA 1.890 56.851 54.840 0.202 0.000 0.758 201 L CB -0.343 41.823 42.059 0.179 0.000 0.889 201 L HN 0.296 nan 8.230 nan 0.000 0.433 202 L N -2.042 119.286 121.223 0.176 0.000 2.012 202 L HA -0.283 4.057 4.340 0.000 0.000 0.210 202 L C 2.342 179.307 176.870 0.157 0.000 1.073 202 L CA 1.651 56.579 54.840 0.148 0.000 0.748 202 L CB -0.715 41.434 42.059 0.150 0.000 0.891 202 L HN 0.443 nan 8.230 nan 0.000 0.431 203 W N 0.734 122.068 121.300 0.056 0.000 2.352 203 W HA -0.239 4.421 4.660 0.000 0.000 0.322 203 W C 2.488 179.047 176.519 0.067 0.000 1.208 203 W CA 1.280 58.658 57.345 0.054 0.000 1.286 203 W CB -0.267 29.214 29.460 0.035 0.000 1.167 203 W HN -0.081 nan 8.180 nan 0.000 0.469 204 I N 0.815 121.408 120.570 0.039 0.000 2.113 204 I HA -0.372 3.798 4.170 0.000 0.000 0.242 204 I C 2.267 178.254 176.117 -0.218 0.000 1.064 204 I CA 2.257 63.457 61.300 -0.167 0.000 1.320 204 I CB -1.647 36.415 38.000 0.103 0.000 1.028 204 I HN -0.015 nan 8.210 nan 0.000 0.406 205 S N 0.638 116.290 115.700 -0.080 0.000 2.528 205 S HA -0.095 4.375 4.470 0.000 0.000 0.244 205 S C 1.478 176.012 174.600 -0.110 0.000 0.982 205 S CA 1.121 59.286 58.200 -0.059 0.000 0.953 205 S CB -0.378 62.826 63.200 0.006 0.000 0.754 205 S HN 0.647 nan 8.310 nan 0.000 0.529 206 S N -0.065 115.512 115.700 -0.205 0.000 2.601 206 S HA 0.260 4.731 4.470 0.000 0.000 0.244 206 S C 0.328 174.759 174.600 -0.282 0.000 1.001 206 S CA -0.550 57.535 58.200 -0.192 0.000 0.984 206 S CB 0.185 63.303 63.200 -0.137 0.000 0.842 206 S HN 0.113 nan 8.310 nan 0.000 0.474 207 Q N 2.054 121.636 119.800 -0.363 0.000 2.526 207 Q HA 0.323 4.663 4.340 0.000 0.000 0.353 207 Q C 1.093 176.860 176.000 -0.388 0.000 0.977 207 Q CA -0.004 55.538 55.803 -0.436 0.000 1.027 207 Q CB 0.209 28.609 28.738 -0.563 0.000 1.272 207 Q HN 0.697 nan 8.270 nan 0.000 0.420 208 S N -0.903 114.637 115.700 -0.267 0.000 2.387 208 S HA -0.105 4.365 4.470 0.000 0.000 0.226 208 S C 1.840 176.262 174.600 -0.296 0.000 1.026 208 S CA 0.355 58.421 58.200 -0.222 0.000 0.972 208 S CB 0.058 63.202 63.200 -0.093 0.000 0.814 208 S HN 0.335 nan 8.310 nan 0.000 0.477 209 R N 2.015 122.347 120.500 -0.279 0.000 2.115 209 R HA -0.003 4.337 4.340 0.000 0.000 0.239 209 R C -1.380 174.676 176.300 -0.406 0.000 1.133 209 R CA 1.364 57.298 56.100 -0.277 0.000 0.935 209 R CB -1.776 28.389 30.300 -0.224 0.000 0.853 209 R HN 0.405 nan 8.270 nan 0.000 0.433 215 A N 0.797 123.576 122.820 -0.067 0.000 1.986 215 A HA -0.176 4.145 4.320 0.000 0.000 0.220 215 A C 1.915 179.496 177.584 -0.006 0.000 1.171 215 A CA 1.878 53.916 52.037 0.001 0.000 0.640 215 A CB -0.665 18.371 19.000 0.061 0.000 0.811 215 A HN 0.412 nan 8.150 nan 0.000 0.451 216 L N -1.439 119.769 121.223 -0.026 0.000 2.362 216 L HA 0.174 4.514 4.340 0.000 0.000 0.219 216 L C 1.246 178.108 176.870 -0.012 0.000 1.134 216 L CA 0.423 55.252 54.840 -0.018 0.000 0.807 216 L CB -1.097 40.946 42.059 -0.027 0.000 0.927 216 L HN 0.649 nan 8.230 nan 0.000 0.447 217 G N -0.216 108.572 108.800 -0.020 0.000 2.697 217 G HA2 -0.155 3.805 3.960 0.000 0.000 0.686 217 G HA3 -0.155 3.805 3.960 0.000 0.000 0.686 217 G C 0.150 175.040 174.900 -0.016 0.000 1.179 217 G CA -0.304 44.786 45.100 -0.016 0.000 0.765 217 G HN 0.175 nan 8.290 nan 0.000 0.649 218 E N -0.013 120.177 120.200 -0.016 0.000 2.110 218 E HA -0.299 4.051 4.350 0.000 0.000 0.225 218 E C 2.517 179.132 176.600 0.025 0.000 1.063 218 E CA 2.051 58.454 56.400 0.005 0.000 0.906 218 E CB -0.137 29.567 29.700 0.007 0.000 0.795 218 E HN 0.545 nan 8.360 nan 0.000 0.479 219 I N 0.978 121.563 120.570 0.026 0.000 2.151 219 I HA -0.255 3.915 4.170 0.000 0.000 0.243 219 I C 2.476 178.609 176.117 0.026 0.000 1.080 219 I CA 1.323 62.644 61.300 0.034 0.000 1.339 219 I CB -1.385 36.633 38.000 0.030 0.000 1.039 219 I HN 0.028 nan 8.210 nan 0.000 0.409 220 S N 0.840 116.547 115.700 0.012 0.000 2.348 220 S HA -0.110 4.360 4.470 0.000 0.000 0.221 220 S C 2.274 176.872 174.600 -0.004 0.000 1.033 220 S CA 1.373 59.575 58.200 0.003 0.000 1.010 220 S CB -0.381 62.817 63.200 -0.004 0.000 0.891 220 S HN 0.554 nan 8.310 nan 0.000 0.442 221 A N 2.242 125.053 122.820 -0.016 0.000 1.873 221 A HA -0.205 4.115 4.320 0.000 0.000 0.218 221 A C 2.154 179.730 177.584 -0.014 0.000 1.193 221 A CA 1.689 53.705 52.037 -0.035 0.000 0.629 221 A CB -0.639 18.329 19.000 -0.055 0.000 0.826 221 A HN 0.446 nan 8.150 nan 0.000 0.447 222 R N -0.387 120.125 120.500 0.019 0.000 2.083 222 R HA -0.214 4.126 4.340 0.000 0.000 0.237 222 R C 2.450 178.786 176.300 0.061 0.000 1.137 222 R CA 1.871 58.010 56.100 0.064 0.000 0.951 222 R CB -0.468 29.913 30.300 0.134 0.000 0.851 222 R HN 0.878 nan 8.270 nan 0.000 0.434 223 Q N 0.644 120.470 119.800 0.045 0.000 2.436 223 Q HA -0.045 4.295 4.340 0.000 0.000 0.209 223 Q C 1.523 177.537 176.000 0.023 0.000 0.965 223 Q CA 1.252 57.077 55.803 0.037 0.000 0.910 223 Q CB -0.155 28.601 28.738 0.030 0.000 0.980 223 Q HN 0.342 nan 8.270 nan 0.000 0.491 224 L N -0.636 120.594 121.223 0.011 0.000 2.567 224 L HA 0.331 4.671 4.340 0.000 0.000 0.225 224 L C 0.976 177.846 176.870 0.000 0.000 1.119 224 L CA 0.517 55.356 54.840 -0.001 0.000 0.871 224 L CB 0.139 42.188 42.059 -0.017 0.000 1.036 224 L HN 0.652 nan 8.230 nan 0.000 0.459 225 G N 0.090 108.897 108.800 0.011 0.000 2.211 225 G HA2 -0.233 3.728 3.960 0.000 0.000 0.201 225 G HA3 -0.233 3.728 3.960 0.000 0.000 0.201 225 G C -0.096 174.805 174.900 0.002 0.000 0.997 225 G CA -0.305 44.804 45.100 0.016 0.000 0.652 225 G HN 0.101 nan 8.290 nan 0.000 0.500 226 L N 2.535 123.744 121.223 -0.023 0.000 2.410 226 L HA 0.590 4.930 4.340 0.000 0.000 0.273 226 L C -1.934 174.845 176.870 -0.152 0.000 1.152 226 L CA -1.571 53.245 54.840 -0.040 0.000 0.855 226 L CB 0.588 42.603 42.059 -0.074 0.000 1.129 226 L HN -0.091 nan 8.230 nan 0.000 0.463 227 P HA 0.076 nan 4.420 nan 0.000 0.244 227 P C 0.518 177.288 177.300 -0.882 0.000 1.769 227 P CA -0.236 62.464 63.100 -0.668 0.000 1.102 227 P CB 0.507 31.988 31.700 -0.366 0.000 1.937 228 L N 3.031 123.613 121.223 -1.068 0.000 1.976 228 L HA -0.188 4.152 4.340 0.000 0.000 0.223 228 L C 1.841 178.536 176.870 -0.291 0.000 1.081 228 L CA 2.187 56.746 54.840 -0.467 0.000 0.784 228 L CB -1.363 40.620 42.059 -0.127 0.000 0.896 228 L HN 0.360 nan 8.230 nan 0.000 0.438 229 W N -1.753 119.615 121.300 0.113 0.000 2.318 229 W HA -0.290 4.370 4.660 0.000 0.000 0.313 229 W C 2.379 178.945 176.519 0.078 0.000 1.221 229 W CA 1.012 58.401 57.345 0.074 0.000 1.266 229 W CB -1.733 27.762 29.460 0.058 0.000 1.150 229 W HN 0.237 nan 8.180 nan 0.000 0.496 230 F N 0.498 120.223 119.950 -0.374 0.000 2.065 230 F HA -0.187 4.340 4.527 0.000 0.000 0.298 230 F C 2.032 177.646 175.800 -0.309 0.000 1.112 230 F CA 1.891 59.700 58.000 -0.318 0.000 1.212 230 F CB -0.984 37.703 39.000 -0.522 0.000 0.975 230 F HN -0.122 nan 8.300 nan 0.000 0.476 231 W N 0.690 121.867 121.300 -0.206 0.000 2.402 231 W HA -0.044 4.616 4.660 0.000 0.000 0.286 231 W C 2.641 179.029 176.519 -0.219 0.000 1.221 231 W CA 1.061 58.251 57.345 -0.259 0.000 1.257 231 W CB -0.339 29.053 29.460 -0.112 0.000 1.120 231 W HN -0.120 nan 8.180 nan 0.000 0.551 232 R N 0.136 120.659 120.500 0.037 0.000 2.075 232 R HA -0.131 4.210 4.340 0.000 0.000 0.232 232 R C 1.860 178.137 176.300 -0.037 0.000 1.126 232 R CA 1.425 57.523 56.100 -0.004 0.000 0.963 232 R CB -0.645 29.653 30.300 -0.004 0.000 0.858 232 R HN 0.223 nan 8.270 nan 0.000 0.435 233 N N 0.483 119.137 118.700 -0.076 0.000 2.080 233 N HA -0.129 4.611 4.740 0.000 0.000 0.189 233 N C 1.971 177.403 175.510 -0.130 0.000 1.036 233 N CA 0.974 53.972 53.050 -0.087 0.000 0.846 233 N CB -0.570 37.863 38.487 -0.090 0.000 1.015 233 N HN -0.023 nan 8.380 nan 0.000 0.423 234 V N 2.341 122.078 119.914 -0.294 0.000 2.252 234 V HA -0.219 3.901 4.120 0.000 0.000 0.249 234 V C 2.432 178.541 176.094 0.025 0.000 1.056 234 V CA 1.429 63.580 62.300 -0.248 0.000 1.022 234 V CB -0.486 31.012 31.823 -0.541 0.000 0.641 234 V HN 0.247 nan 8.190 nan 0.000 0.445 235 L N -0.992 120.280 121.223 0.080 0.000 2.056 235 L HA -0.145 4.195 4.340 0.000 0.000 0.207 235 L C 2.479 179.412 176.870 0.104 0.000 1.078 235 L CA 1.199 56.117 54.840 0.129 0.000 0.749 235 L CB -0.798 41.320 42.059 0.098 0.000 0.901 235 L HN 0.209 nan 8.230 nan 0.000 0.433 236 V N 0.467 120.417 119.914 0.061 0.000 2.332 236 V HA -0.339 3.781 4.120 0.000 0.000 0.248 236 V C 2.809 178.964 176.094 0.102 0.000 1.055 236 V CA 2.000 64.347 62.300 0.077 0.000 1.038 236 V CB -0.890 30.961 31.823 0.047 0.000 0.651 236 V HN 0.500 nan 8.190 nan 0.000 0.450 237 A N -0.214 122.654 122.820 0.079 0.000 1.877 237 A HA -0.103 4.217 4.320 0.000 0.000 0.216 237 A C 2.461 180.142 177.584 0.163 0.000 1.186 237 A CA 2.084 54.179 52.037 0.098 0.000 0.620 237 A CB -0.894 18.122 19.000 0.027 0.000 0.822 237 A HN 0.585 nan 8.150 nan 0.000 0.443 238 A N -0.712 122.207 122.820 0.164 0.000 1.873 238 A HA -0.180 4.140 4.320 0.000 0.000 0.218 238 A C 2.331 180.072 177.584 0.263 0.000 1.193 238 A CA 2.625 54.801 52.037 0.232 0.000 0.629 238 A CB -1.512 17.658 19.000 0.284 0.000 0.826 238 A HN 0.457 nan 8.150 nan 0.000 0.447 239 T N -0.327 114.351 114.554 0.207 0.000 2.746 239 T HA -0.049 4.301 4.350 0.000 0.000 0.267 239 T C 1.972 176.783 174.700 0.185 0.000 1.039 239 T CA 1.527 63.737 62.100 0.185 0.000 1.142 239 T CB -0.751 68.212 68.868 0.158 0.000 0.866 239 T HN 0.622 nan 8.240 nan 0.000 0.444 240 G N 0.676 109.588 108.800 0.187 0.000 2.418 240 G HA2 -0.157 3.803 3.960 0.000 0.000 0.217 240 G HA3 -0.157 3.803 3.960 0.000 0.000 0.217 240 G C 0.734 175.753 174.900 0.200 0.000 1.158 240 G CA 0.059 45.260 45.100 0.169 0.000 0.771 240 G HN 0.489 nan 8.290 nan 0.000 0.545 244 G N 0.561 109.346 108.800 -0.025 0.000 2.491 244 G HA2 -0.209 3.751 3.960 0.000 0.000 0.218 244 G HA3 -0.209 3.751 3.960 0.000 0.000 0.218 244 G C 1.521 176.354 174.900 -0.111 0.000 1.180 244 G CA 1.775 46.837 45.100 -0.063 0.000 0.774 244 G HN 0.373 nan 8.290 nan 0.000 0.562 245 V N 0.866 120.648 119.914 -0.220 0.000 2.343 245 V HA -0.185 3.935 4.120 0.000 0.000 0.247 245 V C 3.155 179.210 176.094 -0.066 0.000 1.051 245 V CA 2.249 64.425 62.300 -0.207 0.000 1.036 245 V CB -0.441 31.185 31.823 -0.329 0.000 0.654 245 V HN 0.375 nan 8.190 nan 0.000 0.451 246 S N -0.257 115.424 115.700 -0.032 0.000 2.368 246 S HA -0.174 4.297 4.470 0.000 0.000 0.225 246 S C 1.991 176.565 174.600 -0.044 0.000 1.030 246 S CA 1.584 59.783 58.200 -0.002 0.000 0.999 246 S CB -0.214 63.002 63.200 0.026 0.000 0.844 246 S HN 0.401 nan 8.310 nan 0.000 0.459 247 V N 1.912 121.800 119.914 -0.044 0.000 2.343 247 V HA -0.166 3.954 4.120 0.000 0.000 0.247 247 V C 2.583 178.710 176.094 0.054 0.000 1.051 247 V CA 1.609 63.867 62.300 -0.070 0.000 1.036 247 V CB -1.154 30.636 31.823 -0.056 0.000 0.654 247 V HN 0.540 nan 8.190 nan 0.000 0.451 248 A N -0.654 122.224 122.820 0.098 0.000 2.019 248 A HA -0.110 4.210 4.320 0.000 0.000 0.219 248 A C 2.166 179.819 177.584 0.115 0.000 1.164 248 A CA 1.373 53.506 52.037 0.160 0.000 0.644 248 A CB -0.331 18.702 19.000 0.056 0.000 0.805 248 A HN 0.383 nan 8.150 nan 0.000 0.449 249 L N -1.383 119.851 121.223 0.020 0.000 2.034 249 L HA 0.163 4.503 4.340 0.000 0.000 0.203 249 L C 2.014 178.756 176.870 -0.213 0.000 1.074 249 L CA 2.292 57.105 54.840 -0.045 0.000 0.748 249 L CB -0.954 41.092 42.059 -0.022 0.000 0.905 249 L HN 0.376 nan 8.230 nan 0.000 0.439 250 A N -1.417 121.173 122.820 -0.383 0.000 2.643 250 A HA 0.550 4.870 4.320 0.000 0.000 0.295 250 A C 0.910 178.223 177.584 -0.452 0.000 1.065 250 A CA 0.339 51.988 52.037 -0.647 0.000 0.986 250 A CB -0.441 17.648 19.000 -1.518 0.000 1.212 250 A HN 0.565 nan 8.150 nan 0.000 0.516 251 G N 0.086 108.643 108.800 -0.404 0.000 2.641 251 G HA2 0.206 4.166 3.960 0.000 0.000 0.254 251 G HA3 0.206 4.166 3.960 0.000 0.000 0.254 251 G C 0.495 175.080 174.900 -0.525 0.000 1.315 251 G CA -0.143 44.476 45.100 -0.801 0.000 0.907 251 G HN 1.932 nan 8.290 nan 0.000 0.572 252 A N -0.455 122.036 122.820 -0.548 0.000 2.454 252 A HA 0.644 4.964 4.320 0.000 0.000 0.260 252 A C 0.325 177.794 177.584 -0.192 0.000 1.106 252 A CA 0.507 52.358 52.037 -0.311 0.000 0.780 252 A CB -0.118 18.712 19.000 -0.285 0.000 1.044 252 A HN 1.203 nan 8.150 nan 0.000 0.498 253 I N 1.790 122.296 120.570 -0.107 0.000 2.692 253 I HA 0.602 4.772 4.170 0.000 0.000 0.293 253 I C 0.516 176.650 176.117 0.029 0.000 1.200 253 I CA -0.380 60.901 61.300 -0.031 0.000 1.036 253 I CB 2.727 40.727 38.000 0.000 0.000 1.258 253 I HN 0.786 nan 8.210 nan 0.000 0.421 254 G N 2.185 111.050 108.800 0.107 0.000 3.022 254 G HA2 0.708 4.668 3.960 0.000 0.000 0.284 254 G HA3 0.708 4.668 3.960 0.000 0.000 0.284 254 G C -0.389 174.742 174.900 0.384 0.000 1.375 254 G CA -0.459 44.754 45.100 0.188 0.000 0.902 254 G HN 0.560 nan 8.290 nan 0.000 0.538 255 F N -2.550 117.358 119.950 -0.069 0.000 2.504 255 F HA -0.222 4.305 4.527 0.000 0.000 0.597 255 F C 1.901 177.695 175.800 -0.010 0.000 0.505 255 F CA 1.135 59.101 58.000 -0.058 0.000 1.106 255 F CB -1.318 37.662 39.000 -0.034 0.000 1.874 255 F HN 0.308 nan 8.300 nan 0.000 0.260 256 I N 0.686 121.363 120.570 0.177 0.000 2.252 256 I HA -0.086 4.084 4.170 0.000 0.000 0.245 256 I C 2.644 178.806 176.117 0.075 0.000 1.102 256 I CA 2.169 63.541 61.300 0.121 0.000 1.385 256 I CB -1.039 37.024 38.000 0.105 0.000 1.064 256 I HN 0.312 nan 8.210 nan 0.000 0.414 257 G N 0.058 108.885 108.800 0.044 0.000 2.402 257 G HA2 -0.146 3.814 3.960 0.000 0.000 0.216 257 G HA3 -0.146 3.814 3.960 0.000 0.000 0.216 257 G C 1.671 176.568 174.900 -0.006 0.000 1.162 257 G CA 0.669 45.780 45.100 0.020 0.000 0.777 257 G HN 0.304 nan 8.290 nan 0.000 0.539 258 L N 0.001 121.183 121.223 -0.068 0.000 1.961 258 L HA -0.041 4.299 4.340 0.000 0.000 0.209 258 L C 2.978 179.854 176.870 0.011 0.000 1.075 258 L CA 0.580 55.365 54.840 -0.091 0.000 0.749 258 L CB -0.965 40.930 42.059 -0.274 0.000 0.890 258 L HN 0.049 nan 8.230 nan 0.000 0.433 259 V N 0.478 120.415 119.914 0.037 0.000 2.255 259 V HA -0.324 3.796 4.120 0.000 0.000 0.247 259 V C 2.386 178.556 176.094 0.128 0.000 1.051 259 V CA 2.149 64.527 62.300 0.129 0.000 1.018 259 V CB -0.433 31.495 31.823 0.175 0.000 0.641 259 V HN 0.313 nan 8.190 nan 0.000 0.445 260 I N 0.585 121.216 120.570 0.102 0.000 2.127 260 I HA -0.165 4.005 4.170 0.000 0.000 0.241 260 I C 0.028 176.173 176.117 0.047 0.000 1.075 260 I CA 1.786 63.136 61.300 0.083 0.000 1.334 260 I CB -1.673 36.375 38.000 0.081 0.000 1.040 260 I HN 0.384 nan 8.210 nan 0.000 0.405 261 P HA -0.190 nan 4.420 nan 0.000 0.219 261 P C 1.341 178.641 177.300 -0.001 0.000 1.150 261 P CA 1.786 64.888 63.100 0.004 0.000 0.814 261 P CB -0.200 31.507 31.700 0.012 0.000 0.787 262 H N 0.194 119.240 119.070 -0.040 0.000 2.428 262 H HA 0.057 4.613 4.556 0.000 0.000 0.296 262 H C 1.932 177.221 175.328 -0.065 0.000 1.062 262 H CA 1.064 57.082 56.048 -0.050 0.000 1.350 262 H CB -0.891 28.860 29.762 -0.019 0.000 1.403 262 H HN -0.017 nan 8.280 nan 0.000 0.533 263 I N -0.196 120.331 120.570 -0.072 0.000 2.493 263 I HA -0.203 3.968 4.170 0.000 0.000 0.254 263 I C 1.766 177.751 176.117 -0.220 0.000 1.160 263 I CA 0.756 61.990 61.300 -0.111 0.000 1.445 263 I CB -0.080 37.940 38.000 0.033 0.000 1.086 263 I HN 0.278 nan 8.210 nan 0.000 0.433 264 L N -0.023 121.057 121.223 -0.238 0.000 2.162 264 L HA -0.059 4.281 4.340 0.000 0.000 0.205 264 L C 2.697 179.314 176.870 -0.422 0.000 1.086 264 L CA 0.834 55.440 54.840 -0.391 0.000 0.778 264 L CB -0.375 41.523 42.059 -0.268 0.000 0.928 264 L HN 0.103 nan 8.230 nan 0.000 0.446 265 R N 0.239 120.541 120.500 -0.330 0.000 2.070 265 R HA -0.120 4.220 4.340 0.000 0.000 0.233 265 R C 2.208 178.306 176.300 -0.335 0.000 1.137 265 R CA 1.234 57.151 56.100 -0.306 0.000 0.945 265 R CB -0.504 29.650 30.300 -0.243 0.000 0.845 265 R HN 0.257 nan 8.270 nan 0.000 0.430 266 L N 0.627 121.606 121.223 -0.407 0.000 2.351 266 L HA -0.161 4.179 4.340 0.000 0.000 0.220 266 L C 1.699 178.410 176.870 -0.266 0.000 1.127 266 L CA 0.911 55.551 54.840 -0.332 0.000 0.786 266 L CB -0.237 41.608 42.059 -0.358 0.000 0.914 266 L HN 0.153 nan 8.230 nan 0.000 0.443 267 S N -0.851 114.624 115.700 -0.375 0.000 2.575 267 S HA 0.223 4.693 4.470 0.000 0.000 0.215 267 S C 1.460 175.801 174.600 -0.431 0.000 0.966 267 S CA 0.653 58.584 58.200 -0.448 0.000 0.911 267 S CB 0.754 63.333 63.200 -1.035 0.000 0.780 267 S HN 0.651 nan 8.310 nan 0.000 0.514 268 G N 1.188 109.781 108.800 -0.345 0.000 2.184 268 G HA2 -0.171 3.789 3.960 0.000 0.000 0.206 268 G HA3 -0.171 3.789 3.960 0.000 0.000 0.206 268 G C -0.009 174.736 174.900 -0.259 0.000 0.995 268 G CA -0.563 44.389 45.100 -0.248 0.000 0.651 268 G HN 0.427 nan 8.290 nan 0.000 0.511 269 L N 2.381 123.394 121.223 -0.350 0.000 2.375 269 L HA 0.394 4.734 4.340 0.000 0.000 0.276 269 L C 1.417 178.143 176.870 -0.239 0.000 1.162 269 L CA 0.077 54.747 54.840 -0.283 0.000 0.991 269 L CB 0.617 42.475 42.059 -0.335 0.000 1.315 269 L HN 0.152 nan 8.230 nan 0.000 0.431 270 T N -1.266 113.176 114.554 -0.187 0.000 3.045 270 T HA -0.014 4.336 4.350 0.000 0.000 0.239 270 T C 0.619 175.213 174.700 -0.178 0.000 1.008 270 T CA 0.042 62.036 62.100 -0.177 0.000 1.143 270 T CB 0.195 68.990 68.868 -0.121 0.000 0.894 270 T HN 0.449 nan 8.240 nan 0.000 0.451 271 D N 0.852 121.188 120.400 -0.107 0.000 2.450 271 D HA -0.008 4.632 4.640 0.000 0.000 0.247 271 D C 0.651 176.919 176.300 -0.053 0.000 1.162 271 D CA 0.284 54.259 54.000 -0.042 0.000 0.879 271 D CB 0.757 41.539 40.800 -0.029 0.000 1.163 271 D HN 0.323 nan 8.370 nan 0.000 0.472 272 H N 3.061 122.083 119.070 -0.081 0.000 2.421 272 H HA -0.095 4.461 4.556 0.000 0.000 0.298 272 H C 1.503 176.783 175.328 -0.079 0.000 1.087 272 H CA 1.490 57.487 56.048 -0.084 0.000 1.330 272 H CB 0.160 29.858 29.762 -0.107 0.000 1.388 272 H HN 0.475 nan 8.280 nan 0.000 0.526 273 R N 0.271 120.796 120.500 0.042 0.000 2.377 273 R HA -0.001 4.339 4.340 0.000 0.000 0.207 273 R C 0.644 176.941 176.300 -0.004 0.000 1.075 273 R CA 0.971 57.071 56.100 -0.000 0.000 1.035 273 R CB 0.105 30.396 30.300 -0.016 0.000 0.857 273 R HN 0.224 nan 8.270 nan 0.000 0.475 274 V N -0.272 119.634 119.914 -0.013 0.000 3.368 274 V HA -0.025 4.096 4.120 0.000 0.000 0.255 274 V C 1.302 177.373 176.094 -0.038 0.000 1.466 274 V CA 0.006 62.295 62.300 -0.018 0.000 1.095 274 V CB 0.618 32.425 31.823 -0.026 0.000 0.899 274 V HN 0.151 nan 8.190 nan 0.000 0.440 275 L N -0.014 121.165 121.223 -0.074 0.000 2.179 275 L HA 0.112 4.452 4.340 0.000 0.000 0.208 275 L C 1.964 178.800 176.870 -0.057 0.000 1.096 275 L CA 1.865 56.637 54.840 -0.114 0.000 0.779 275 L CB -0.275 41.642 42.059 -0.237 0.000 0.922 275 L HN 0.217 nan 8.230 nan 0.000 0.443 276 L N -0.254 120.960 121.223 -0.015 0.000 2.005 276 L HA -0.082 4.258 4.340 0.000 0.000 0.207 276 L C -0.092 176.788 176.870 0.018 0.000 1.072 276 L CA 1.148 55.997 54.840 0.014 0.000 0.744 276 L CB -1.945 40.127 42.059 0.020 0.000 0.895 276 L HN 0.213 nan 8.230 nan 0.000 0.433 277 P HA -0.150 nan 4.420 nan 0.000 0.215 277 P C 1.579 178.904 177.300 0.042 0.000 1.157 277 P CA 1.813 64.931 63.100 0.032 0.000 0.868 277 P CB -0.223 31.495 31.700 0.031 0.000 0.788 278 G N -0.811 108.011 108.800 0.036 0.000 2.440 278 G HA2 -0.297 3.663 3.960 0.000 0.000 0.218 278 G HA3 -0.297 3.663 3.960 0.000 0.000 0.218 278 G C 1.599 176.528 174.900 0.049 0.000 1.154 278 G CA 1.018 46.151 45.100 0.054 0.000 0.767 278 G HN 0.242 nan 8.290 nan 0.000 0.552 279 C N 0.899 120.213 119.300 0.022 0.000 2.413 279 C HA 0.152 4.612 4.460 0.000 0.000 0.277 279 C C 3.515 178.536 174.990 0.051 0.000 1.265 279 C CA 0.782 59.818 59.018 0.030 0.000 1.752 279 C CB -1.024 26.727 27.740 0.018 0.000 1.998 279 C HN 0.582 nan 8.230 nan 0.000 0.489 280 A N 0.684 123.535 122.820 0.052 0.000 1.845 280 A HA -0.097 4.224 4.320 0.000 0.000 0.215 280 A C 2.117 179.737 177.584 0.060 0.000 1.195 280 A CA 1.554 53.627 52.037 0.059 0.000 0.616 280 A CB -0.715 18.320 19.000 0.058 0.000 0.832 280 A HN 0.574 nan 8.150 nan 0.000 0.443 281 L N -0.693 120.568 121.223 0.063 0.000 1.989 281 L HA -0.235 4.105 4.340 0.000 0.000 0.211 281 L C 3.141 180.053 176.870 0.069 0.000 1.071 281 L CA 1.367 56.246 54.840 0.065 0.000 0.749 281 L CB -0.728 41.376 42.059 0.075 0.000 0.890 281 L HN 0.448 nan 8.230 nan 0.000 0.431 282 A N 0.325 123.198 122.820 0.088 0.000 1.902 282 A HA -0.143 4.177 4.320 0.000 0.000 0.217 282 A C 2.402 180.033 177.584 0.079 0.000 1.181 282 A CA 1.858 53.955 52.037 0.100 0.000 0.623 282 A CB -1.346 17.730 19.000 0.126 0.000 0.818 282 A HN 0.474 nan 8.150 nan 0.000 0.443 283 G N -0.741 108.101 108.800 0.070 0.000 2.408 283 G HA2 0.048 4.008 3.960 0.000 0.000 0.217 283 G HA3 0.048 4.008 3.960 0.000 0.000 0.217 283 G C 1.701 176.632 174.900 0.051 0.000 1.150 283 G CA 1.418 46.558 45.100 0.066 0.000 0.776 283 G HN 0.770 nan 8.290 nan 0.000 0.542 284 A N 1.032 123.877 122.820 0.043 0.000 1.845 284 A HA 0.011 4.331 4.320 0.000 0.000 0.215 284 A C 2.713 180.298 177.584 0.002 0.000 1.195 284 A CA 2.259 54.307 52.037 0.018 0.000 0.616 284 A CB -0.817 18.195 19.000 0.020 0.000 0.832 284 A HN 0.298 nan 8.150 nan 0.000 0.443 285 S N 0.146 115.857 115.700 0.018 0.000 2.370 285 S HA -0.120 4.350 4.470 0.000 0.000 0.226 285 S C 2.282 176.890 174.600 0.013 0.000 1.033 285 S CA 1.364 59.572 58.200 0.013 0.000 1.011 285 S CB -0.609 62.610 63.200 0.031 0.000 0.852 285 S HN 0.815 nan 8.310 nan 0.000 0.457 286 A N 1.661 124.501 122.820 0.033 0.000 1.841 286 A HA -0.048 4.272 4.320 0.000 0.000 0.216 286 A C 2.132 179.729 177.584 0.021 0.000 1.199 286 A CA 1.343 53.405 52.037 0.041 0.000 0.621 286 A CB -0.982 18.057 19.000 0.066 0.000 0.835 286 A HN 0.442 nan 8.150 nan 0.000 0.445 287 L N -0.704 120.527 121.223 0.014 0.000 2.131 287 L HA -0.154 4.186 4.340 0.000 0.000 0.210 287 L C 2.580 179.408 176.870 -0.071 0.000 1.092 287 L CA 1.038 55.873 54.840 -0.007 0.000 0.759 287 L CB -0.314 41.746 42.059 0.002 0.000 0.903 287 L HN 0.479 nan 8.230 nan 0.000 0.435 288 L N -0.548 120.625 121.223 -0.084 0.000 1.955 288 L HA -0.304 4.036 4.340 0.000 0.000 0.213 288 L C 2.544 179.368 176.870 -0.077 0.000 1.072 288 L CA 1.559 56.329 54.840 -0.116 0.000 0.755 288 L CB -0.382 41.623 42.059 -0.091 0.000 0.888 288 L HN 0.257 nan 8.230 nan 0.000 0.432 289 L N -0.607 120.594 121.223 -0.037 0.000 2.081 289 L HA -0.275 4.065 4.340 0.000 0.000 0.212 289 L C 2.784 179.645 176.870 -0.015 0.000 1.080 289 L CA 1.260 56.090 54.840 -0.016 0.000 0.754 289 L CB -0.834 41.227 42.059 0.004 0.000 0.893 289 L HN 0.351 nan 8.230 nan 0.000 0.433 290 A N 0.050 122.861 122.820 -0.015 0.000 1.877 290 A HA -0.302 4.018 4.320 0.000 0.000 0.216 290 A C 1.996 179.572 177.584 -0.013 0.000 1.186 290 A CA 2.207 54.239 52.037 -0.007 0.000 0.620 290 A CB -0.710 18.293 19.000 0.005 0.000 0.822 290 A HN 0.434 nan 8.150 nan 0.000 0.443 291 D N -0.426 119.949 120.400 -0.041 0.000 2.178 291 D HA -0.098 4.542 4.640 0.000 0.000 0.201 291 D C 1.699 177.974 176.300 -0.041 0.000 0.980 291 D CA 1.135 55.105 54.000 -0.049 0.000 0.842 291 D CB -0.196 40.508 40.800 -0.160 0.000 0.948 291 D HN 0.502 nan 8.370 nan 0.000 0.472 292 I N -0.509 120.034 120.570 -0.045 0.000 2.315 292 I HA -0.205 3.965 4.170 0.000 0.000 0.248 292 I C 2.220 178.334 176.117 -0.004 0.000 1.117 292 I CA 0.448 61.732 61.300 -0.027 0.000 1.404 292 I CB -0.063 37.926 38.000 -0.019 0.000 1.071 292 I HN -0.004 nan 8.210 nan 0.000 0.419 293 V N 0.999 120.913 119.914 -0.001 0.000 2.427 293 V HA -0.242 3.878 4.120 0.000 0.000 0.248 293 V C 2.651 178.750 176.094 0.008 0.000 1.051 293 V CA 1.864 64.168 62.300 0.006 0.000 1.048 293 V CB -0.772 31.053 31.823 0.003 0.000 0.666 293 V HN 0.485 nan 8.190 nan 0.000 0.456 294 A N -0.607 122.218 122.820 0.008 0.000 2.067 294 A HA -0.180 4.141 4.320 0.000 0.000 0.219 294 A C 2.377 179.972 177.584 0.019 0.000 1.158 294 A CA 1.510 53.557 52.037 0.017 0.000 0.661 294 A CB -0.389 18.630 19.000 0.031 0.000 0.801 294 A HN 0.498 nan 8.150 nan 0.000 0.452 295 R N -0.830 119.678 120.500 0.012 0.000 2.066 295 R HA 0.190 4.530 4.340 0.000 0.000 0.224 295 R C 0.481 176.793 176.300 0.019 0.000 1.122 295 R CA 0.756 56.863 56.100 0.012 0.000 0.974 295 R CB -0.140 30.160 30.300 0.000 0.000 0.871 295 R HN 0.452 nan 8.270 nan 0.000 0.435 296 L N 0.204 121.440 121.223 0.022 0.000 3.036 296 L HA 0.341 4.681 4.340 0.000 0.000 0.237 296 L C 0.867 177.751 176.870 0.024 0.000 1.319 296 L CA -0.326 54.532 54.840 0.030 0.000 1.112 296 L CB 0.718 42.802 42.059 0.042 0.000 1.480 296 L HN 0.165 nan 8.230 nan 0.000 0.506 297 A N -0.020 122.812 122.820 0.020 0.000 1.988 297 A HA 0.458 4.778 4.320 0.000 0.000 0.198 297 A C 0.692 178.285 177.584 0.015 0.000 1.507 297 A CA 0.246 52.292 52.037 0.015 0.000 0.901 297 A CB 0.528 19.535 19.000 0.011 0.000 1.007 297 A HN 0.280 nan 8.150 nan 0.000 0.502 298 L N -0.005 121.228 121.223 0.017 0.000 2.334 298 L HA 0.742 5.082 4.340 0.000 0.000 0.273 298 L C 0.024 176.905 176.870 0.018 0.000 1.013 298 L CA -0.973 53.877 54.840 0.017 0.000 0.816 298 L CB 1.904 43.973 42.059 0.018 0.000 1.278 298 L HN 0.187 nan 8.230 nan 0.000 0.431 299 A N 2.351 125.181 122.820 0.017 0.000 2.289 299 A HA 0.656 4.976 4.320 0.000 0.000 0.298 299 A C 0.762 178.356 177.584 0.015 0.000 1.208 299 A CA 0.267 52.315 52.037 0.018 0.000 0.845 299 A CB 0.657 19.667 19.000 0.017 0.000 1.125 299 A HN 1.436 nan 8.150 nan 0.000 0.517 300 A N 0.605 123.434 122.820 0.015 0.000 3.002 300 A HA 0.332 4.653 4.320 0.000 0.000 0.272 300 A C 0.449 178.037 177.584 0.007 0.000 1.421 300 A CA 1.173 53.216 52.037 0.010 0.000 0.766 300 A CB -1.814 17.191 19.000 0.008 0.000 1.034 300 A HN 2.799 nan 8.150 nan 0.000 0.541 301 A N -0.657 122.169 122.820 0.010 0.000 2.612 301 A HA 0.765 5.085 4.320 0.000 0.000 0.293 301 A C -0.748 176.844 177.584 0.014 0.000 1.075 301 A CA -0.420 51.624 52.037 0.012 0.000 0.680 301 A CB 1.040 20.052 19.000 0.020 0.000 1.279 301 A HN 0.535 nan 8.150 nan 0.000 0.411 302 E N 1.364 121.573 120.200 0.016 0.000 2.182 302 E HA 0.400 4.750 4.350 0.000 0.000 0.258 302 E C -1.350 175.275 176.600 0.042 0.000 0.879 302 E CA -0.241 56.173 56.400 0.023 0.000 0.754 302 E CB 1.547 31.255 29.700 0.013 0.000 1.162 302 E HN 0.577 nan 8.360 nan 0.000 0.419 303 L N 5.014 126.260 121.223 0.039 0.000 2.319 303 L HA 0.278 4.618 4.340 0.000 0.000 0.280 303 L C -2.088 174.809 176.870 0.044 0.000 1.099 303 L CA -1.687 53.178 54.840 0.041 0.000 0.828 303 L CB 0.763 42.836 42.059 0.023 0.000 1.150 303 L HN 0.115 nan 8.230 nan 0.000 0.442 304 P HA 0.039 nan 4.420 nan 0.000 0.264 304 P C 0.956 178.266 177.300 0.016 0.000 1.193 304 P CA 0.105 63.227 63.100 0.037 0.000 0.763 304 P CB 0.620 32.337 31.700 0.029 0.000 0.810 305 I N 2.376 122.969 120.570 0.038 0.000 2.208 305 I HA -0.254 3.916 4.170 0.000 0.000 0.245 305 I C 2.389 178.502 176.117 -0.007 0.000 1.097 305 I CA 1.928 63.255 61.300 0.046 0.000 1.363 305 I CB -0.915 37.171 38.000 0.143 0.000 1.051 305 I HN 0.549 nan 8.210 nan 0.000 0.413 306 G N 0.772 109.551 108.800 -0.035 0.000 2.513 306 G HA2 -0.245 3.716 3.960 0.000 0.000 0.219 306 G HA3 -0.245 3.716 3.960 0.000 0.000 0.219 306 G C 1.710 176.546 174.900 -0.106 0.000 1.160 306 G CA 1.137 46.195 45.100 -0.070 0.000 0.767 306 G HN 0.260 nan 8.290 nan 0.000 0.571 307 V N 0.473 120.335 119.914 -0.085 0.000 2.255 307 V HA -0.206 3.914 4.120 0.000 0.000 0.247 307 V C 3.087 179.113 176.094 -0.113 0.000 1.051 307 V CA 1.757 64.000 62.300 -0.095 0.000 1.018 307 V CB -0.564 31.225 31.823 -0.057 0.000 0.641 307 V HN 0.276 nan 8.190 nan 0.000 0.445 308 V N 0.837 120.706 119.914 -0.076 0.000 2.287 308 V HA -0.281 3.839 4.120 0.000 0.000 0.248 308 V C 2.740 178.766 176.094 -0.112 0.000 1.053 308 V CA 2.600 64.858 62.300 -0.070 0.000 1.027 308 V CB -1.464 30.342 31.823 -0.029 0.000 0.646 308 V HN 0.840 nan 8.190 nan 0.000 0.447 309 T N -0.407 114.071 114.554 -0.127 0.000 2.643 309 T HA -0.166 4.184 4.350 0.000 0.000 0.264 309 T C 2.030 176.454 174.700 -0.460 0.000 1.045 309 T CA 1.572 63.570 62.100 -0.169 0.000 1.155 309 T CB -0.750 68.071 68.868 -0.079 0.000 0.863 309 T HN 0.488 nan 8.240 nan 0.000 0.420 310 A N 1.807 124.210 122.820 -0.695 0.000 1.873 310 A HA -0.126 4.194 4.320 0.000 0.000 0.218 310 A C 2.673 179.822 177.584 -0.724 0.000 1.193 310 A CA 2.534 53.773 52.037 -1.329 0.000 0.629 310 A CB -1.732 16.825 19.000 -0.738 0.000 0.826 310 A HN 0.557 nan 8.150 nan 0.000 0.447 311 T N 0.294 114.637 114.554 -0.352 0.000 2.720 311 T HA -0.120 4.230 4.350 0.000 0.000 0.268 311 T C 1.743 176.371 174.700 -0.121 0.000 1.037 311 T CA 1.671 63.666 62.100 -0.175 0.000 1.144 311 T CB -0.361 68.440 68.868 -0.110 0.000 0.864 311 T HN 0.377 nan 8.240 nan 0.000 0.444 312 L N 0.020 121.168 121.223 -0.126 0.000 2.270 312 L HA 0.165 4.505 4.340 0.000 0.000 0.210 312 L C 2.841 179.722 176.870 0.019 0.000 1.104 312 L CA 0.925 55.741 54.840 -0.041 0.000 0.804 312 L CB -0.457 41.587 42.059 -0.025 0.000 0.937 312 L HN 0.322 nan 8.230 nan 0.000 0.450 313 G N -0.769 108.014 108.800 -0.029 0.000 2.539 313 G HA2 -0.026 3.934 3.960 0.000 0.000 0.215 313 G HA3 -0.026 3.934 3.960 0.000 0.000 0.215 313 G C 1.785 176.963 174.900 0.465 0.000 1.141 313 G CA 0.597 45.855 45.100 0.263 0.000 0.806 313 G HN 0.356 nan 8.290 nan 0.000 0.533 314 A N 1.997 124.992 122.820 0.291 0.000 1.903 314 A HA -0.040 4.280 4.320 0.000 0.000 0.219 314 A C 0.705 178.504 177.584 0.357 0.000 1.191 314 A CA 2.130 54.438 52.037 0.453 0.000 0.638 314 A CB -1.299 17.828 19.000 0.210 0.000 0.823 314 A HN 0.365 nan 8.150 nan 0.000 0.451 315 P HA -0.097 nan 4.420 nan 0.000 0.215 315 P C 1.579 179.030 177.300 0.251 0.000 1.153 315 P CA 1.465 64.671 63.100 0.177 0.000 0.853 315 P CB -0.118 31.638 31.700 0.093 0.000 0.788 316 V N -0.936 119.156 119.914 0.297 0.000 2.379 316 V HA -0.209 3.911 4.120 0.000 0.000 0.245 316 V C 2.177 178.489 176.094 0.364 0.000 1.044 316 V CA 1.486 64.001 62.300 0.360 0.000 1.036 316 V CB -1.429 30.589 31.823 0.325 0.000 0.664 316 V HN 0.016 nan 8.190 nan 0.000 0.453 317 F N 0.554 120.633 119.950 0.213 0.000 2.161 317 F HA -0.185 4.342 4.527 0.000 0.000 0.300 317 F C 2.117 177.983 175.800 0.109 0.000 1.089 317 F CA 1.287 59.360 58.000 0.121 0.000 1.282 317 F CB -0.224 38.823 39.000 0.078 0.000 1.010 317 F HN 0.008 nan 8.300 nan 0.000 0.485 318 I N -1.004 119.584 120.570 0.029 0.000 2.141 318 I HA -0.277 3.893 4.170 0.000 0.000 0.236 318 I C 2.076 178.212 176.117 0.032 0.000 1.071 318 I CA 1.288 62.545 61.300 -0.071 0.000 1.345 318 I CB -1.779 36.264 38.000 0.072 0.000 1.066 318 I HN 0.382 nan 8.210 nan 0.000 0.406 319 W N 1.515 122.797 121.300 -0.029 0.000 2.747 319 W HA -0.173 4.487 4.660 0.000 0.000 0.244 319 W C 2.036 178.550 176.519 -0.009 0.000 1.270 319 W CA 0.792 58.132 57.345 -0.010 0.000 1.333 319 W CB -0.227 29.248 29.460 0.024 0.000 1.139 319 W HN 0.092 nan 8.180 nan 0.000 0.662 320 L N 0.001 121.210 121.223 -0.022 0.000 2.130 320 L HA 0.097 4.437 4.340 0.000 0.000 0.200 320 L C 2.017 178.781 176.870 -0.177 0.000 1.075 320 L CA 1.683 56.460 54.840 -0.105 0.000 0.768 320 L CB -0.941 41.137 42.059 0.032 0.000 0.933 320 L HN -0.083 nan 8.230 nan 0.000 0.451 321 L N -0.157 120.920 121.223 -0.244 0.000 2.642 321 L HA -0.145 4.195 4.340 0.000 0.000 0.236 321 L C 2.052 178.821 176.870 -0.169 0.000 1.169 321 L CA 0.322 55.013 54.840 -0.249 0.000 0.851 321 L CB -0.553 41.281 42.059 -0.374 0.000 0.968 321 L HN 0.364 nan 8.230 nan 0.000 0.453 322 L N -0.376 120.747 121.223 -0.165 0.000 2.179 322 L HA -0.153 4.187 4.340 0.000 0.000 0.208 322 L C 2.614 179.405 176.870 -0.132 0.000 1.096 322 L CA 1.090 55.851 54.840 -0.131 0.000 0.779 322 L CB -0.354 41.620 42.059 -0.143 0.000 0.922 322 L HN 0.306 nan 8.230 nan 0.000 0.443 323 K N 0.838 121.143 120.400 -0.160 0.000 2.029 323 K HA 0.032 4.352 4.320 0.000 0.000 0.205 323 K C 1.264 177.817 176.600 -0.078 0.000 1.042 323 K CA 0.737 56.953 56.287 -0.119 0.000 0.949 323 K CB 0.076 32.501 32.500 -0.124 0.000 0.740 323 K HN 0.163 nan 8.250 nan 0.000 0.442 324 A N 0.000 122.774 122.820 -0.077 0.000 2.254 324 A HA 0.000 4.320 4.320 0.000 0.000 0.244 324 A CA 0.000 51.997 52.037 -0.067 0.000 0.836 324 A CB 0.000 18.945 19.000 -0.092 0.000 0.831 324 A HN 0.000 nan 8.150 nan 0.000 0.486