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 3dwn_1_B DATA FIRST_RESID 1 DATA SEQUENCE AGFQLNEFSS SGLGRAYSGE GAIADDAGNV SRNPALITMF DRPTFSAGAV DATA SEQUENCE YIDPDVNISG TSPSGRSLKA DNIAPTEWVP NMHFVAPIND QFGWGASITR DATA SEQUENCE NYGLATEFND TYAGGSVGGT TDLETMNLNL SGAYRLNNAW SFGLGFNAVY DATA SEQUENCE ARAKIERFAG DLGQLVAGQI MQSPAGQTQQ GQALAATANG IDSNTKIAHL DATA SEQUENCE NGNQWGFGWN AGILYELDKN NRYALTYRSE VKIDFKGNYS SDLNRAFNNY DATA SEQUENCE GLPIPTATGG ATQSGYLTLN LPEMWEVSGY NRVDPQWAIH YSLAYTSWSQ DATA SEQUENCE FQQLKATSTS GDTLFQKHEG FKDAYRIALG TTYYYDDNWT FRTGIAFDDS DATA SEQUENCE PVPAQNRSIS IPDQDRFWLS AGTTYAFNKD ASVDVGVSYM HGQSVKINEG DATA SEQUENCE PYQFESEGKA WLFGTNFNYA F 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 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.394 177.584 -0.316 0.000 1.274 1 A CA 0.000 51.951 52.037 -0.144 0.000 0.836 1 A CB 0.000 19.013 19.000 0.021 0.000 0.831 2 G N 0.765 109.211 108.800 -0.590 0.000 2.622 2 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.307 2 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.307 2 G C 0.314 175.095 174.900 -0.199 0.000 1.226 2 G CA 1.507 46.111 45.100 -0.826 0.000 0.997 2 G HN 1.930 nan 8.290 nan 0.000 0.551 3 F N 1.121 121.061 119.950 -0.017 0.000 2.835 3 F HA 0.598 5.124 4.527 -0.001 0.000 0.342 3 F C 0.474 176.528 175.800 0.424 0.000 1.202 3 F CA 0.013 58.132 58.000 0.198 0.000 1.240 3 F CB -0.185 38.895 39.000 0.133 0.000 1.005 3 F HN 0.689 nan 8.300 nan 0.000 0.507 4 Q N 1.397 121.446 119.800 0.416 0.000 2.230 4 Q HA 0.712 5.052 4.340 -0.000 0.000 0.248 4 Q C -1.145 174.814 176.000 -0.068 0.000 0.915 4 Q CA -0.669 55.179 55.803 0.075 0.000 0.900 4 Q CB 2.369 31.129 28.738 0.037 0.000 1.229 4 Q HN 0.549 nan 8.270 nan 0.000 0.439 5 L N 1.850 122.927 121.223 -0.242 0.000 2.313 5 L HA 0.424 4.764 4.340 -0.000 0.000 0.268 5 L C 0.163 176.840 176.870 -0.323 0.000 1.010 5 L CA -0.613 54.101 54.840 -0.210 0.000 0.814 5 L CB 1.715 43.680 42.059 -0.156 0.000 1.304 5 L HN 0.863 nan 8.230 nan 0.000 0.441 6 N N -0.908 117.547 118.700 -0.408 0.000 2.145 6 N HA 0.031 4.771 4.740 -0.000 0.000 0.219 6 N C -0.640 174.312 175.510 -0.930 0.000 1.266 6 N CA -0.164 52.502 53.050 -0.640 0.000 0.902 6 N CB 0.895 38.892 38.487 -0.816 0.000 1.078 6 N HN 0.538 nan 8.380 nan 0.000 0.513 7 E N 1.040 120.908 120.200 -0.554 0.000 2.053 7 E HA -0.024 4.325 4.350 -0.000 0.000 0.297 7 E C 0.073 176.542 176.600 -0.218 0.000 1.173 7 E CA 0.002 56.189 56.400 -0.355 0.000 1.219 7 E CB -0.714 28.884 29.700 -0.169 0.000 1.103 7 E HN 0.506 nan 8.360 nan 0.000 0.476 8 F N -0.831 118.982 119.950 -0.228 0.000 2.746 8 F HA 0.307 4.834 4.527 -0.000 0.000 0.297 8 F C 0.502 176.321 175.800 0.031 0.000 1.113 8 F CA -0.412 57.543 58.000 -0.075 0.000 1.367 8 F CB 0.376 39.328 39.000 -0.079 0.000 1.111 8 F HN 0.084 nan 8.300 nan 0.000 0.590 9 S N -1.356 114.061 115.700 -0.472 0.000 2.588 9 S HA 0.401 4.871 4.470 -0.000 0.000 0.269 9 S C 0.047 174.447 174.600 -0.333 0.000 1.157 9 S CA -0.231 57.757 58.200 -0.353 0.000 0.824 9 S CB 1.284 64.218 63.200 -0.443 0.000 1.126 9 S HN -0.015 nan 8.310 nan 0.000 0.464 10 S N 1.012 116.535 115.700 -0.295 0.000 2.470 10 S HA 0.007 4.477 4.470 -0.000 0.000 0.225 10 S C 2.016 176.418 174.600 -0.330 0.000 1.006 10 S CA 0.950 58.966 58.200 -0.306 0.000 0.934 10 S CB -0.377 62.640 63.200 -0.305 0.000 0.778 10 S HN 0.913 nan 8.310 nan 0.000 0.517 11 S N 1.730 117.233 115.700 -0.328 0.000 2.371 11 S HA 0.025 4.495 4.470 -0.000 0.000 0.224 11 S C 2.145 176.497 174.600 -0.413 0.000 1.029 11 S CA 0.983 58.995 58.200 -0.313 0.000 0.978 11 S CB -1.116 61.929 63.200 -0.259 0.000 0.833 11 S HN 0.456 nan 8.310 nan 0.000 0.466 12 G N 2.039 110.527 108.800 -0.521 0.000 2.422 12 G HA2 -0.075 3.885 3.960 -0.000 0.000 0.218 12 G HA3 -0.075 3.885 3.960 -0.000 0.000 0.218 12 G C 1.385 175.418 174.900 -1.444 0.000 1.146 12 G CA 0.780 45.419 45.100 -0.767 0.000 0.769 12 G HN 0.436 nan 8.290 nan 0.000 0.547 13 L N 0.731 121.271 121.223 -1.139 0.000 1.990 13 L HA -0.073 4.267 4.340 -0.000 0.000 0.213 13 L C 2.884 179.405 176.870 -0.582 0.000 1.072 13 L CA 1.933 56.230 54.840 -0.906 0.000 0.755 13 L CB -0.748 41.090 42.059 -0.367 0.000 0.889 13 L HN 0.335 nan 8.230 nan 0.000 0.432 14 G N -0.884 107.683 108.800 -0.389 0.000 2.509 14 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.218 14 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.218 14 G C 1.561 176.353 174.900 -0.179 0.000 1.124 14 G CA 0.183 45.157 45.100 -0.209 0.000 0.776 14 G HN 0.392 nan 8.290 nan 0.000 0.547 15 R N -0.373 119.957 120.500 -0.284 0.000 2.300 15 R HA 0.411 4.751 4.340 -0.000 0.000 0.199 15 R C 1.528 177.748 176.300 -0.133 0.000 0.920 15 R CA 0.481 56.511 56.100 -0.116 0.000 1.046 15 R CB 0.134 30.337 30.300 -0.161 0.000 0.984 15 R HN 0.308 nan 8.270 nan 0.000 0.493 16 A N 0.796 123.421 122.820 -0.324 0.000 2.905 16 A HA -0.246 4.073 4.320 -0.000 0.000 0.260 16 A C -0.459 177.017 177.584 -0.179 0.000 1.398 16 A CA 0.727 52.616 52.037 -0.247 0.000 0.840 16 A CB -2.448 16.512 19.000 -0.066 0.000 1.059 16 A HN 0.555 nan 8.150 nan 0.000 0.647 17 Y N -1.586 118.629 120.300 -0.143 0.000 3.001 17 Y HA -0.180 4.370 4.550 -0.001 0.000 0.199 17 Y C 0.795 176.696 175.900 0.002 0.000 1.320 17 Y CA 1.159 59.198 58.100 -0.101 0.000 0.974 17 Y CB -2.406 35.961 38.460 -0.155 0.000 1.291 17 Y HN 1.386 nan 8.280 nan 0.000 0.465 18 S N -0.951 114.836 115.700 0.145 0.000 2.474 18 S HA 0.645 5.115 4.470 -0.000 0.000 0.321 18 S C 0.941 175.671 174.600 0.216 0.000 1.080 18 S CA -0.428 57.901 58.200 0.215 0.000 1.106 18 S CB 1.771 65.128 63.200 0.261 0.000 0.984 18 S HN 1.627 nan 8.310 nan 0.000 0.464 19 G N 2.473 111.361 108.800 0.146 0.000 2.160 19 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.251 19 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.251 19 G C 0.561 175.487 174.900 0.045 0.000 1.008 19 G CA 0.160 45.293 45.100 0.054 0.000 0.724 19 G HN 0.669 nan 8.290 nan 0.000 0.514 20 E N -0.210 120.049 120.200 0.099 0.000 2.455 20 E HA -0.056 4.294 4.350 -0.000 0.000 0.202 20 E C 2.273 178.899 176.600 0.044 0.000 1.045 20 E CA 1.062 57.542 56.400 0.132 0.000 0.872 20 E CB -0.455 29.456 29.700 0.352 0.000 0.792 20 E HN 0.726 nan 8.360 nan 0.000 0.542 21 G N -0.357 108.452 108.800 0.014 0.000 3.088 21 G HA2 0.213 4.173 3.960 -0.000 0.000 0.217 21 G HA3 0.213 4.173 3.960 -0.000 0.000 0.217 21 G C 1.125 176.006 174.900 -0.031 0.000 1.159 21 G CA 0.448 45.540 45.100 -0.013 0.000 0.760 21 G HN 0.268 nan 8.290 nan 0.000 0.550 22 A N -0.197 122.589 122.820 -0.056 0.000 2.508 22 A HA 0.602 4.922 4.320 -0.000 0.000 0.250 22 A C 0.174 177.636 177.584 -0.204 0.000 1.208 22 A CA -0.255 51.721 52.037 -0.102 0.000 0.960 22 A CB 0.295 19.229 19.000 -0.110 0.000 1.099 22 A HN 0.298 nan 8.150 nan 0.000 0.542 23 I N -0.377 120.063 120.570 -0.216 0.000 2.474 23 I HA 0.642 4.812 4.170 -0.000 0.000 0.294 23 I C -0.047 175.903 176.117 -0.278 0.000 1.005 23 I CA -0.764 60.295 61.300 -0.402 0.000 1.113 23 I CB 2.122 39.938 38.000 -0.306 0.000 1.289 23 I HN 0.020 nan 8.210 nan 0.000 0.436 24 A N 4.511 127.118 122.820 -0.354 0.000 2.806 24 A HA 0.280 4.600 4.320 -0.000 0.000 0.266 24 A C 0.285 177.727 177.584 -0.237 0.000 0.926 24 A CA -0.383 51.519 52.037 -0.225 0.000 1.068 24 A CB -0.282 18.507 19.000 -0.353 0.000 1.189 24 A HN 0.748 nan 8.150 nan 0.000 0.481 25 D N 1.309 121.603 120.400 -0.175 0.000 2.310 25 D HA 0.011 4.650 4.640 -0.000 0.000 0.212 25 D C 0.234 176.519 176.300 -0.025 0.000 0.965 25 D CA 1.819 55.751 54.000 -0.114 0.000 0.879 25 D CB 0.235 41.001 40.800 -0.058 0.000 0.921 25 D HN 0.830 nan 8.370 nan 0.000 0.510 26 D N -3.070 117.364 120.400 0.056 0.000 2.599 26 D HA 0.452 5.092 4.640 -0.000 0.000 0.252 26 D C 0.321 176.694 176.300 0.120 0.000 1.232 26 D CA -0.732 53.328 54.000 0.099 0.000 0.819 26 D CB 0.859 41.636 40.800 -0.039 0.000 1.401 26 D HN -0.183 nan 8.370 nan 0.000 0.429 27 A N 0.365 123.129 122.820 -0.094 0.000 2.194 27 A HA 0.080 4.399 4.320 -0.000 0.000 0.220 27 A C 1.972 179.354 177.584 -0.338 0.000 1.162 27 A CA 1.860 53.658 52.037 -0.398 0.000 0.674 27 A CB -1.411 17.351 19.000 -0.396 0.000 0.789 27 A HN 0.685 nan 8.150 nan 0.000 0.470 28 G N 0.153 108.733 108.800 -0.367 0.000 2.422 28 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.218 28 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.218 28 G C 1.304 176.054 174.900 -0.249 0.000 1.146 28 G CA 0.816 45.510 45.100 -0.677 0.000 0.769 28 G HN 0.668 nan 8.290 nan 0.000 0.547 29 N N 0.489 119.171 118.700 -0.029 0.000 2.573 29 N HA -0.055 4.685 4.740 -0.000 0.000 0.187 29 N C 2.041 177.491 175.510 -0.099 0.000 1.107 29 N CA 0.437 53.478 53.050 -0.015 0.000 0.918 29 N CB 0.263 38.770 38.487 0.034 0.000 0.966 29 N HN 0.179 nan 8.380 nan 0.000 0.448 30 V N 1.378 121.247 119.914 -0.076 0.000 2.515 30 V HA -0.212 3.908 4.120 -0.000 0.000 0.250 30 V C 2.573 178.624 176.094 -0.070 0.000 1.058 30 V CA 1.869 64.137 62.300 -0.053 0.000 1.064 30 V CB -0.589 31.179 31.823 -0.091 0.000 0.675 30 V HN 0.427 nan 8.190 nan 0.000 0.461 31 S N 0.006 115.661 115.700 -0.074 0.000 2.399 31 S HA -0.216 4.254 4.470 -0.000 0.000 0.231 31 S C 2.121 176.539 174.600 -0.305 0.000 1.022 31 S CA 0.960 59.082 58.200 -0.130 0.000 0.983 31 S CB -0.346 62.831 63.200 -0.039 0.000 0.803 31 S HN 0.405 nan 8.310 nan 0.000 0.480 32 R N 2.036 122.253 120.500 -0.471 0.000 2.093 32 R HA 0.256 4.596 4.340 -0.000 0.000 0.224 32 R C 0.122 176.290 176.300 -0.221 0.000 1.101 32 R CA 0.822 56.648 56.100 -0.457 0.000 0.979 32 R CB -0.940 29.029 30.300 -0.551 0.000 0.877 32 R HN 0.561 nan 8.270 nan 0.000 0.441 33 N N -0.103 118.513 118.700 -0.140 0.000 2.594 33 N HA 0.143 4.883 4.740 -0.000 0.000 0.280 33 N C -2.264 173.243 175.510 -0.005 0.000 1.156 33 N CA -1.744 51.276 53.050 -0.050 0.000 0.831 33 N CB 1.791 40.262 38.487 -0.027 0.000 1.379 33 N HN -0.180 nan 8.380 nan 0.000 0.536 34 P HA -0.128 nan 4.420 nan 0.000 0.219 34 P C 0.953 178.312 177.300 0.100 0.000 1.146 34 P CA 0.886 64.031 63.100 0.076 0.000 0.808 34 P CB 0.300 32.072 31.700 0.120 0.000 0.779 35 A N 0.416 123.292 122.820 0.093 0.000 2.019 35 A HA -0.122 4.198 4.320 -0.000 0.000 0.219 35 A C 2.288 179.906 177.584 0.058 0.000 1.164 35 A CA 1.028 53.117 52.037 0.086 0.000 0.644 35 A CB -1.638 17.387 19.000 0.041 0.000 0.805 35 A HN 0.162 nan 8.150 nan 0.000 0.449 36 L N -0.301 120.951 121.223 0.048 0.000 2.551 36 L HA -0.159 4.181 4.340 -0.000 0.000 0.230 36 L C 2.037 179.002 176.870 0.158 0.000 1.163 36 L CA 0.399 55.273 54.840 0.055 0.000 0.826 36 L CB -0.540 41.554 42.059 0.058 0.000 0.943 36 L HN 0.439 nan 8.230 nan 0.000 0.452 37 I N -0.021 120.634 120.570 0.142 0.000 2.286 37 I HA -0.302 3.868 4.170 -0.000 0.000 0.248 37 I C 2.642 178.867 176.117 0.179 0.000 1.115 37 I CA 1.913 63.314 61.300 0.169 0.000 1.392 37 I CB -0.512 37.552 38.000 0.106 0.000 1.065 37 I HN 0.442 nan 8.210 nan 0.000 0.418 38 T N -1.281 113.324 114.554 0.084 0.000 2.996 38 T HA -0.149 4.201 4.350 -0.000 0.000 0.271 38 T C 1.591 176.263 174.700 -0.046 0.000 1.126 38 T CA 0.805 62.912 62.100 0.012 0.000 1.103 38 T CB -0.149 68.696 68.868 -0.038 0.000 0.870 38 T HN 0.139 nan 8.240 nan 0.000 0.528 39 M N 0.226 119.777 119.600 -0.081 0.000 2.595 39 M HA 0.346 4.826 4.480 -0.000 0.000 0.248 39 M C -0.481 175.504 176.300 -0.526 0.000 1.119 39 M CA 0.042 55.150 55.300 -0.320 0.000 1.079 39 M CB -0.747 31.578 32.600 -0.457 0.000 1.472 39 M HN 0.260 nan 8.290 nan 0.000 0.501 40 F N 1.081 120.965 119.950 -0.110 0.000 2.411 40 F HA 0.182 4.708 4.527 -0.000 0.000 0.352 40 F C 0.894 176.640 175.800 -0.090 0.000 1.123 40 F CA -1.224 56.707 58.000 -0.115 0.000 1.044 40 F CB 0.833 39.743 39.000 -0.150 0.000 1.135 40 F HN 0.121 nan 8.300 nan 0.000 0.461 41 D N 1.250 121.675 120.400 0.041 0.000 2.339 41 D HA 0.075 4.715 4.640 -0.000 0.000 0.217 41 D C 0.038 176.368 176.300 0.050 0.000 1.050 41 D CA -0.030 53.986 54.000 0.026 0.000 0.856 41 D CB 0.121 40.912 40.800 -0.016 0.000 0.922 41 D HN 0.596 nan 8.370 nan 0.000 0.518 42 R N -2.173 118.374 120.500 0.077 0.000 2.690 42 R HA 0.478 4.818 4.340 -0.000 0.000 0.269 42 R C -3.336 172.990 176.300 0.042 0.000 1.037 42 R CA -1.954 54.188 56.100 0.070 0.000 0.877 42 R CB -0.216 30.131 30.300 0.079 0.000 1.255 42 R HN -0.316 nan 8.270 nan 0.000 0.467 43 P HA 0.018 nan 4.420 nan 0.000 0.258 43 P C -0.943 176.440 177.300 0.138 0.000 1.187 43 P CA 0.509 63.613 63.100 0.006 0.000 0.767 43 P CB 0.532 32.382 31.700 0.250 0.000 0.770 44 T N 4.494 118.919 114.554 -0.216 0.000 2.812 44 T HA 0.522 4.872 4.350 -0.000 0.000 0.282 44 T C -0.987 173.760 174.700 0.077 0.000 0.990 44 T CA -0.260 61.809 62.100 -0.051 0.000 0.960 44 T CB 0.519 69.267 68.868 -0.200 0.000 0.948 44 T HN 0.117 nan 8.240 nan 0.000 0.438 45 F N 2.239 122.317 119.950 0.213 0.000 2.495 45 F HA 0.739 5.266 4.527 0.000 0.000 0.327 45 F C -0.271 175.655 175.800 0.210 0.000 1.103 45 F CA -0.427 57.775 58.000 0.337 0.000 0.949 45 F CB 1.737 41.042 39.000 0.510 0.000 1.142 45 F HN 0.500 nan 8.300 nan 0.000 0.457 46 S N 3.943 119.216 115.700 -0.711 0.000 2.540 46 S HA 0.920 5.390 4.470 -0.000 0.000 0.275 46 S C -1.546 172.629 174.600 -0.709 0.000 1.123 46 S CA -0.172 57.716 58.200 -0.519 0.000 0.907 46 S CB 1.325 64.387 63.200 -0.229 0.000 1.081 46 S HN 1.273 nan 8.310 nan 0.000 0.476 47 A N 2.338 124.936 122.820 -0.370 0.000 2.540 47 A HA 0.935 5.255 4.320 -0.000 0.000 0.297 47 A C -0.034 177.578 177.584 0.048 0.000 1.056 47 A CA -0.040 51.908 52.037 -0.148 0.000 0.700 47 A CB 1.033 20.002 19.000 -0.052 0.000 1.280 47 A HN 1.622 nan 8.150 nan 0.000 0.398 48 G N -0.642 108.170 108.800 0.020 0.000 2.428 48 G HA2 0.927 4.887 3.960 -0.000 0.000 0.305 48 G HA3 0.927 4.887 3.960 -0.000 0.000 0.305 48 G C -0.824 173.984 174.900 -0.154 0.000 1.260 48 G CA 0.375 45.476 45.100 0.002 0.000 0.853 48 G HN 2.371 nan 8.290 nan 0.000 0.480 49 A N -1.707 120.952 122.820 -0.269 0.000 2.610 49 A HA 0.796 5.116 4.320 -0.000 0.000 0.291 49 A C -1.689 175.634 177.584 -0.434 0.000 1.086 49 A CA -0.392 51.329 52.037 -0.526 0.000 0.677 49 A CB 1.582 19.844 19.000 -1.229 0.000 1.278 49 A HN 1.653 nan 8.150 nan 0.000 0.414 50 V N 1.172 120.841 119.914 -0.409 0.000 2.448 50 V HA 0.414 4.534 4.120 -0.000 0.000 0.295 50 V C -1.090 174.946 176.094 -0.096 0.000 1.025 50 V CA -0.418 61.745 62.300 -0.228 0.000 0.859 50 V CB 1.440 33.171 31.823 -0.154 0.000 0.988 50 V HN 0.839 nan 8.190 nan 0.000 0.431 51 Y N 6.079 126.373 120.300 -0.010 0.000 2.341 51 Y HA 0.646 5.195 4.550 -0.000 0.000 0.340 51 Y C -0.228 175.793 175.900 0.203 0.000 0.997 51 Y CA -0.698 57.519 58.100 0.196 0.000 1.149 51 Y CB 0.926 39.638 38.460 0.420 0.000 1.171 51 Y HN 0.544 nan 8.280 nan 0.000 0.494 52 I N 6.428 126.815 120.570 -0.305 0.000 2.339 52 I HA 0.207 4.377 4.170 -0.000 0.000 0.290 52 I C -0.758 175.109 176.117 -0.416 0.000 0.994 52 I CA -0.548 60.625 61.300 -0.212 0.000 1.191 52 I CB 1.275 39.230 38.000 -0.076 0.000 1.343 52 I HN 0.539 nan 8.210 nan 0.000 0.458 53 D N 9.126 129.417 120.400 -0.182 0.000 2.458 53 D HA 0.372 5.012 4.640 -0.000 0.000 0.258 53 D C -2.591 173.743 176.300 0.058 0.000 1.134 53 D CA -1.965 51.989 54.000 -0.075 0.000 0.915 53 D CB 1.313 42.196 40.800 0.138 0.000 1.028 53 D HN 0.116 nan 8.370 nan 0.000 0.508 54 P HA 0.276 nan 4.420 nan 0.000 0.276 54 P C -0.754 176.552 177.300 0.011 0.000 1.244 54 P CA -0.420 62.676 63.100 -0.007 0.000 0.801 54 P CB 0.864 32.538 31.700 -0.042 0.000 1.006 55 D N 1.131 121.529 120.400 -0.004 0.000 2.443 55 D HA 0.263 4.903 4.640 -0.000 0.000 0.281 55 D C -1.430 174.845 176.300 -0.041 0.000 1.210 55 D CA -0.197 53.807 54.000 0.006 0.000 0.875 55 D CB -0.003 40.838 40.800 0.067 0.000 1.125 55 D HN -0.126 nan 8.370 nan 0.000 0.503 56 V N 2.909 122.782 119.914 -0.069 0.000 2.370 56 V HA 0.556 4.676 4.120 -0.000 0.000 0.283 56 V C -0.053 175.987 176.094 -0.089 0.000 1.023 56 V CA -0.755 61.491 62.300 -0.089 0.000 0.857 56 V CB 1.438 33.194 31.823 -0.111 0.000 0.985 56 V HN 0.352 nan 8.190 nan 0.000 0.443 57 N N 4.456 123.121 118.700 -0.057 0.000 2.240 57 N HA 0.702 5.442 4.740 -0.000 0.000 0.302 57 N C -1.396 174.121 175.510 0.011 0.000 1.106 57 N CA -0.782 52.249 53.050 -0.031 0.000 0.778 57 N CB 2.246 40.732 38.487 -0.002 0.000 1.431 57 N HN 0.389 nan 8.380 nan 0.000 0.479 58 I N 0.978 121.581 120.570 0.055 0.000 2.530 58 I HA 0.546 4.716 4.170 -0.000 0.000 0.297 58 I C -0.049 176.185 176.117 0.195 0.000 1.011 58 I CA -0.586 60.801 61.300 0.145 0.000 1.107 58 I CB 1.312 39.443 38.000 0.218 0.000 1.285 58 I HN 0.728 nan 8.210 nan 0.000 0.436 59 S N 2.976 118.810 115.700 0.223 0.000 2.627 59 S HA 1.019 5.489 4.470 -0.000 0.000 0.283 59 S C -0.422 174.305 174.600 0.211 0.000 1.127 59 S CA -0.273 58.042 58.200 0.193 0.000 0.863 59 S CB 2.857 66.131 63.200 0.123 0.000 1.121 59 S HN 1.345 nan 8.310 nan 0.000 0.479 60 G N -0.016 108.865 108.800 0.136 0.000 2.369 60 G HA2 0.422 4.382 3.960 -0.000 0.000 0.293 60 G HA3 0.422 4.382 3.960 -0.000 0.000 0.293 60 G C -1.388 173.518 174.900 0.010 0.000 1.301 60 G CA -0.350 44.786 45.100 0.061 0.000 0.913 60 G HN 1.042 nan 8.290 nan 0.000 0.540 61 T N 0.176 114.702 114.554 -0.046 0.000 2.921 61 T HA 0.680 5.030 4.350 -0.000 0.000 0.297 61 T C 0.129 174.783 174.700 -0.078 0.000 1.013 61 T CA 0.144 62.215 62.100 -0.048 0.000 0.990 61 T CB 1.607 70.461 68.868 -0.023 0.000 1.023 61 T HN 1.044 nan 8.240 nan 0.000 0.447 62 S N 2.272 117.935 115.700 -0.063 0.000 2.632 62 S HA 0.341 4.810 4.470 -0.000 0.000 0.267 62 S C -1.548 173.052 174.600 -0.000 0.000 1.276 62 S CA -1.573 56.630 58.200 0.005 0.000 0.998 62 S CB 0.621 63.841 63.200 0.034 0.000 0.953 62 S HN 0.365 nan 8.310 nan 0.000 0.547 63 P HA -0.048 nan 4.420 nan 0.000 0.222 63 P C 1.306 178.596 177.300 -0.017 0.000 1.147 63 P CA 0.997 64.079 63.100 -0.030 0.000 0.790 63 P CB -0.053 31.608 31.700 -0.065 0.000 0.780 64 S N -1.843 113.858 115.700 0.000 0.000 2.522 64 S HA 0.144 4.613 4.470 -0.000 0.000 0.227 64 S C 1.763 176.360 174.600 -0.006 0.000 0.986 64 S CA 0.832 59.032 58.200 -0.000 0.000 0.929 64 S CB -1.184 62.023 63.200 0.011 0.000 0.769 64 S HN 0.273 nan 8.310 nan 0.000 0.529 65 G N 1.033 109.828 108.800 -0.009 0.000 2.175 65 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.244 65 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.244 65 G C 0.120 175.013 174.900 -0.012 0.000 0.982 65 G CA -0.117 44.977 45.100 -0.010 0.000 0.641 65 G HN 0.612 nan 8.290 nan 0.000 0.527 66 R N 0.772 121.260 120.500 -0.020 0.000 2.490 66 R HA 0.545 4.885 4.340 -0.000 0.000 0.278 66 R C 0.660 176.936 176.300 -0.039 0.000 1.069 66 R CA 0.314 56.397 56.100 -0.029 0.000 1.080 66 R CB 1.136 31.410 30.300 -0.044 0.000 1.030 66 R HN 0.234 nan 8.270 nan 0.000 0.491 67 S N 1.889 117.579 115.700 -0.017 0.000 2.549 67 S HA 0.084 4.553 4.470 -0.000 0.000 0.279 67 S C 0.836 175.438 174.600 0.003 0.000 1.321 67 S CA -0.526 57.679 58.200 0.008 0.000 1.054 67 S CB 0.338 63.564 63.200 0.043 0.000 0.899 67 S HN 0.523 nan 8.310 nan 0.000 0.497 68 L N 3.869 125.113 121.223 0.035 0.000 2.685 68 L HA 0.290 4.630 4.340 -0.000 0.000 0.233 68 L C 1.040 178.148 176.870 0.396 0.000 1.173 68 L CA -0.141 54.773 54.840 0.123 0.000 0.961 68 L CB -0.257 41.844 42.059 0.070 0.000 1.217 68 L HN 0.625 nan 8.230 nan 0.000 0.478 69 K N 2.147 122.711 120.400 0.274 0.000 2.447 69 K HA 0.349 4.669 4.320 -0.000 0.000 0.281 69 K C -0.290 176.480 176.600 0.283 0.000 1.031 69 K CA 0.075 56.504 56.287 0.236 0.000 1.019 69 K CB 0.579 33.166 32.500 0.144 0.000 0.918 69 K HN 0.143 nan 8.250 nan 0.000 0.476 70 A N 4.947 127.879 122.820 0.187 0.000 2.530 70 A HA 0.247 4.567 4.320 -0.000 0.000 0.279 70 A C -1.619 175.950 177.584 -0.025 0.000 1.109 70 A CA -0.973 51.097 52.037 0.056 0.000 0.763 70 A CB 0.821 19.816 19.000 -0.008 0.000 1.257 70 A HN 0.729 nan 8.150 nan 0.000 0.424 71 D N 1.328 121.708 120.400 -0.034 0.000 2.264 71 D HA 0.230 4.870 4.640 -0.000 0.000 0.250 71 D C 0.370 176.612 176.300 -0.097 0.000 1.113 71 D CA 0.522 54.495 54.000 -0.044 0.000 0.871 71 D CB 0.634 41.427 40.800 -0.012 0.000 1.167 71 D HN 0.686 nan 8.370 nan 0.000 0.447 72 N N 1.369 120.013 118.700 -0.093 0.000 2.667 72 N HA -0.204 4.536 4.740 -0.000 0.000 0.263 72 N C 1.114 176.508 175.510 -0.194 0.000 1.038 72 N CA -0.113 52.870 53.050 -0.111 0.000 0.749 72 N CB -0.605 37.845 38.487 -0.062 0.000 0.892 72 N HN 0.503 nan 8.380 nan 0.000 0.546 73 I N -2.985 117.403 120.570 -0.303 0.000 3.111 73 I HA 0.119 4.289 4.170 -0.000 0.000 0.272 73 I C 0.805 176.713 176.117 -0.348 0.000 1.268 73 I CA 0.475 61.473 61.300 -0.503 0.000 1.467 73 I CB 0.129 37.586 38.000 -0.905 0.000 1.087 73 I HN 0.213 nan 8.210 nan 0.000 0.467 74 A N 4.325 127.015 122.820 -0.217 0.000 2.341 74 A HA 0.570 4.890 4.320 -0.000 0.000 0.326 74 A C -2.209 175.315 177.584 -0.100 0.000 1.402 74 A CA -1.536 50.415 52.037 -0.143 0.000 0.957 74 A CB -0.368 18.567 19.000 -0.108 0.000 1.151 74 A HN 0.155 nan 8.150 nan 0.000 0.533 75 P HA 0.042 nan 4.420 nan 0.000 0.271 75 P C 0.411 177.688 177.300 -0.038 0.000 1.244 75 P CA 0.117 63.187 63.100 -0.051 0.000 0.793 75 P CB 0.473 32.150 31.700 -0.038 0.000 0.984 76 T N 1.025 115.568 114.554 -0.018 0.000 2.900 76 T HA 0.133 4.483 4.350 -0.000 0.000 0.307 76 T C -0.113 174.572 174.700 -0.024 0.000 1.065 76 T CA -0.085 61.983 62.100 -0.053 0.000 1.105 76 T CB -0.131 68.755 68.868 0.031 0.000 0.979 76 T HN 0.328 nan 8.240 nan 0.000 0.544 77 E N 2.113 122.258 120.200 -0.091 0.000 2.312 77 E HA 0.310 4.660 4.350 -0.000 0.000 0.267 77 E C -1.553 175.150 176.600 0.172 0.000 0.894 77 E CA -0.594 55.829 56.400 0.038 0.000 0.773 77 E CB 1.830 31.531 29.700 0.003 0.000 1.241 77 E HN 0.743 nan 8.360 nan 0.000 0.432 78 W N 2.244 123.585 121.300 0.068 0.000 2.533 78 W HA 0.361 5.021 4.660 -0.001 0.000 0.291 78 W C -1.398 175.174 176.519 0.088 0.000 1.013 78 W CA -0.422 57.008 57.345 0.141 0.000 1.436 78 W CB 0.810 30.379 29.460 0.182 0.000 1.291 78 W HN 0.127 nan 8.180 nan 0.000 0.396 79 V N 8.509 128.321 119.914 -0.171 0.000 2.348 79 V HA 0.379 4.498 4.120 -0.000 0.000 0.270 79 V C -1.559 174.297 176.094 -0.396 0.000 1.037 79 V CA -1.547 60.641 62.300 -0.188 0.000 0.872 79 V CB 0.712 32.460 31.823 -0.126 0.000 1.002 79 V HN 0.297 nan 8.190 nan 0.000 0.464 80 P HA 0.463 nan 4.420 nan 0.000 0.280 80 P C -1.365 175.840 177.300 -0.158 0.000 1.272 80 P CA -0.750 62.141 63.100 -0.348 0.000 0.819 80 P CB 1.659 33.254 31.700 -0.175 0.000 1.122 81 N N -0.455 118.178 118.700 -0.110 0.000 2.446 81 N HA 0.574 5.314 4.740 -0.000 0.000 0.272 81 N C -1.425 174.063 175.510 -0.037 0.000 1.127 81 N CA -0.706 52.317 53.050 -0.046 0.000 0.896 81 N CB 1.728 40.259 38.487 0.075 0.000 1.658 81 N HN 0.345 nan 8.380 nan 0.000 0.483 82 M N 1.629 121.139 119.600 -0.151 0.000 2.324 82 M HA 0.424 4.904 4.480 -0.000 0.000 0.288 82 M C -1.976 174.133 176.300 -0.318 0.000 1.097 82 M CA -0.363 54.866 55.300 -0.119 0.000 0.928 82 M CB 1.534 34.149 32.600 0.024 0.000 1.648 82 M HN 0.940 nan 8.290 nan 0.000 0.460 83 H N 2.672 121.648 119.070 -0.157 0.000 2.851 83 H HA 0.722 5.278 4.556 -0.000 0.000 0.372 83 H C -1.937 173.406 175.328 0.024 0.000 1.158 83 H CA -0.367 55.635 56.048 -0.077 0.000 1.159 83 H CB 2.219 31.902 29.762 -0.132 0.000 1.757 83 H HN 0.562 nan 8.280 nan 0.000 0.546 84 F N 2.431 122.388 119.950 0.010 0.000 2.604 84 F HA 0.533 5.060 4.527 -0.000 0.000 0.316 84 F C -1.686 173.944 175.800 -0.284 0.000 1.136 84 F CA -0.744 57.232 58.000 -0.039 0.000 0.989 84 F CB 1.289 40.331 39.000 0.071 0.000 1.258 84 F HN 0.442 nan 8.300 nan 0.000 0.451 85 V N 2.173 121.315 119.914 -1.288 0.000 2.925 85 V HA 1.062 5.182 4.120 -0.000 0.000 0.311 85 V C -1.116 174.179 176.094 -1.331 0.000 1.104 85 V CA -0.555 61.035 62.300 -1.182 0.000 0.954 85 V CB 1.040 32.259 31.823 -1.007 0.000 1.022 85 V HN 1.496 nan 8.190 nan 0.000 0.427 86 A N 3.850 126.050 122.820 -1.034 0.000 2.577 86 A HA 0.958 5.278 4.320 -0.000 0.000 0.297 86 A C -3.357 174.078 177.584 -0.249 0.000 1.060 86 A CA -1.388 50.280 52.037 -0.615 0.000 0.697 86 A CB 1.909 20.572 19.000 -0.561 0.000 1.281 86 A HN 0.700 nan 8.150 nan 0.000 0.402 87 P HA 0.552 nan 4.420 nan 0.000 0.274 87 P C 0.204 177.630 177.300 0.210 0.000 1.246 87 P CA -0.201 62.960 63.100 0.101 0.000 0.795 87 P CB 0.748 32.499 31.700 0.085 0.000 1.006 88 I N -0.759 119.961 120.570 0.250 0.000 4.046 88 I HA 0.168 4.338 4.170 -0.000 0.000 0.285 88 I C 0.910 177.153 176.117 0.210 0.000 1.183 88 I CA 0.409 61.867 61.300 0.263 0.000 1.337 88 I CB 0.298 38.483 38.000 0.309 0.000 1.478 88 I HN 0.335 nan 8.210 nan 0.000 0.452 89 N N -0.310 118.533 118.700 0.238 0.000 3.343 89 N HA 0.163 4.903 4.740 -0.000 0.000 0.330 89 N C -0.695 174.897 175.510 0.138 0.000 1.560 89 N CA -0.671 52.500 53.050 0.202 0.000 0.752 89 N CB 1.549 40.222 38.487 0.310 0.000 1.863 89 N HN -0.155 nan 8.380 nan 0.000 0.636 90 D N 0.257 120.713 120.400 0.092 0.000 2.347 90 D HA -0.063 4.576 4.640 -0.000 0.000 0.213 90 D C 1.128 177.407 176.300 -0.036 0.000 0.985 90 D CA 1.060 55.076 54.000 0.027 0.000 0.879 90 D CB 0.256 41.064 40.800 0.014 0.000 0.919 90 D HN 0.469 nan 8.370 nan 0.000 0.526 91 Q N -1.167 118.606 119.800 -0.045 0.000 2.322 91 Q HA 0.107 4.447 4.340 -0.000 0.000 0.250 91 Q C -0.038 175.725 176.000 -0.395 0.000 0.853 91 Q CA 0.088 55.706 55.803 -0.307 0.000 0.951 91 Q CB 0.554 29.027 28.738 -0.441 0.000 1.114 91 Q HN 0.073 nan 8.270 nan 0.000 0.523 92 F N 0.626 120.644 119.950 0.113 0.000 2.538 92 F HA 0.774 5.301 4.527 -0.000 0.000 0.325 92 F C 0.462 176.363 175.800 0.167 0.000 1.066 92 F CA -0.578 57.527 58.000 0.175 0.000 0.946 92 F CB 2.430 41.552 39.000 0.203 0.000 1.199 92 F HN 0.038 nan 8.300 nan 0.000 0.473 93 G N 0.750 109.796 108.800 0.410 0.000 2.677 93 G HA2 0.549 4.509 3.960 -0.000 0.000 0.291 93 G HA3 0.549 4.509 3.960 -0.000 0.000 0.291 93 G C -2.298 172.831 174.900 0.383 0.000 1.435 93 G CA -0.828 44.463 45.100 0.318 0.000 0.826 93 G HN 0.753 nan 8.290 nan 0.000 0.491 94 W N -0.227 121.133 121.300 0.101 0.000 3.040 94 W HA 0.868 5.528 4.660 -0.000 0.000 0.344 94 W C -0.390 176.150 176.519 0.036 0.000 1.201 94 W CA -1.205 56.197 57.345 0.094 0.000 1.119 94 W CB 1.343 30.869 29.460 0.109 0.000 1.478 94 W HN 1.469 nan 8.180 nan 0.000 0.586 95 G N -0.266 108.625 108.800 0.153 0.000 2.601 95 G HA2 0.729 4.689 3.960 -0.000 0.000 0.291 95 G HA3 0.729 4.689 3.960 -0.000 0.000 0.291 95 G C -2.376 172.649 174.900 0.208 0.000 1.456 95 G CA -0.176 44.843 45.100 -0.136 0.000 0.804 95 G HN 1.137 nan 8.290 nan 0.000 0.499 96 A N -0.192 122.727 122.820 0.166 0.000 2.520 96 A HA 0.985 5.305 4.320 -0.000 0.000 0.298 96 A C -0.177 177.483 177.584 0.127 0.000 1.051 96 A CA 0.174 52.356 52.037 0.242 0.000 0.690 96 A CB 1.720 20.958 19.000 0.396 0.000 1.281 96 A HN 2.313 nan 8.150 nan 0.000 0.402 97 S N 0.391 116.121 115.700 0.050 0.000 2.638 97 S HA 0.859 5.329 4.470 -0.000 0.000 0.274 97 S C -1.119 173.421 174.600 -0.100 0.000 1.157 97 S CA -0.638 57.488 58.200 -0.124 0.000 0.826 97 S CB 1.198 64.222 63.200 -0.292 0.000 1.139 97 S HN 0.804 nan 8.310 nan 0.000 0.474 98 I N 1.977 122.434 120.570 -0.189 0.000 2.468 98 I HA 0.573 4.742 4.170 -0.000 0.000 0.285 98 I C -0.264 175.766 176.117 -0.145 0.000 1.039 98 I CA -0.251 60.992 61.300 -0.095 0.000 1.074 98 I CB 2.054 40.039 38.000 -0.024 0.000 1.228 98 I HN 1.054 nan 8.210 nan 0.000 0.436 99 T N 2.225 116.721 114.554 -0.097 0.000 2.754 99 T HA 0.623 4.973 4.350 -0.000 0.000 0.296 99 T C -0.676 173.987 174.700 -0.061 0.000 1.205 99 T CA -1.143 60.914 62.100 -0.072 0.000 1.009 99 T CB 2.109 70.949 68.868 -0.046 0.000 1.368 99 T HN 0.464 nan 8.240 nan 0.000 0.509 100 R N 1.035 121.496 120.500 -0.065 0.000 2.409 100 R HA 0.466 4.806 4.340 -0.000 0.000 0.313 100 R C -0.037 176.182 176.300 -0.135 0.000 0.953 100 R CA -0.811 55.247 56.100 -0.070 0.000 0.849 100 R CB 1.127 31.400 30.300 -0.045 0.000 1.171 100 R HN 0.564 nan 8.270 nan 0.000 0.458 101 N N 1.217 119.804 118.700 -0.188 0.000 2.356 101 N HA 0.046 4.786 4.740 -0.000 0.000 0.178 101 N C -0.741 174.336 175.510 -0.722 0.000 1.075 101 N CA 0.748 53.530 53.050 -0.445 0.000 0.889 101 N CB 0.514 38.698 38.487 -0.504 0.000 0.999 101 N HN 0.416 nan 8.380 nan 0.000 0.464 102 Y N -0.797 119.489 120.300 -0.023 0.000 2.534 102 Y HA 0.637 5.187 4.550 -0.000 0.000 0.345 102 Y C 0.379 176.337 175.900 0.096 0.000 1.031 102 Y CA -1.124 57.027 58.100 0.084 0.000 1.022 102 Y CB 2.431 40.964 38.460 0.122 0.000 1.292 102 Y HN -0.074 nan 8.280 nan 0.000 0.459 103 G N 1.494 110.494 108.800 0.333 0.000 2.442 103 G HA2 0.550 4.510 3.960 -0.000 0.000 0.296 103 G HA3 0.550 4.510 3.960 -0.000 0.000 0.296 103 G C -2.821 172.164 174.900 0.141 0.000 1.564 103 G CA -0.646 44.551 45.100 0.160 0.000 0.828 103 G HN 0.643 nan 8.290 nan 0.000 0.571 104 L N 0.276 121.515 121.223 0.026 0.000 2.591 104 L HA 0.913 5.253 4.340 -0.000 0.000 0.257 104 L C -1.036 175.809 176.870 -0.043 0.000 0.935 104 L CA -0.133 54.705 54.840 -0.004 0.000 0.873 104 L CB 2.054 44.069 42.059 -0.074 0.000 1.397 104 L HN 1.888 nan 8.230 nan 0.000 0.414 105 A N 2.354 125.152 122.820 -0.036 0.000 2.476 105 A HA 0.783 5.102 4.320 -0.000 0.000 0.280 105 A C -1.095 176.445 177.584 -0.074 0.000 1.081 105 A CA -0.279 51.728 52.037 -0.051 0.000 0.753 105 A CB 1.326 20.303 19.000 -0.039 0.000 1.248 105 A HN 0.590 nan 8.150 nan 0.000 0.424 106 T N 2.974 117.479 114.554 -0.081 0.000 2.906 106 T HA 0.532 4.881 4.350 -0.000 0.000 0.302 106 T C -1.105 173.504 174.700 -0.152 0.000 1.002 106 T CA -0.492 61.522 62.100 -0.144 0.000 0.988 106 T CB 1.078 69.908 68.868 -0.063 0.000 0.972 106 T HN 0.594 nan 8.240 nan 0.000 0.447 107 E N 3.226 123.260 120.200 -0.277 0.000 2.191 107 E HA 0.472 4.822 4.350 -0.000 0.000 0.263 107 E C -0.990 175.381 176.600 -0.381 0.000 0.881 107 E CA -0.580 55.704 56.400 -0.194 0.000 0.757 107 E CB 1.783 31.413 29.700 -0.117 0.000 1.147 107 E HN 0.422 nan 8.360 nan 0.000 0.414 108 F N 0.982 120.861 119.950 -0.119 0.000 2.483 108 F HA 0.296 4.823 4.527 -0.001 0.000 0.329 108 F C 1.137 176.857 175.800 -0.134 0.000 1.064 108 F CA -0.958 56.910 58.000 -0.220 0.000 0.986 108 F CB 0.974 39.772 39.000 -0.338 0.000 1.218 108 F HN 0.155 nan 8.300 nan 0.000 0.484 109 N N 1.267 119.999 118.700 0.054 0.000 2.453 109 N HA -0.009 4.731 4.740 -0.000 0.000 0.253 109 N C 0.541 176.009 175.510 -0.069 0.000 1.252 109 N CA 0.050 53.095 53.050 -0.007 0.000 0.917 109 N CB 0.490 38.986 38.487 0.014 0.000 1.117 109 N HN 0.571 nan 8.380 nan 0.000 0.442 110 D N -1.266 118.963 120.400 -0.284 0.000 2.378 110 D HA -0.093 4.547 4.640 -0.000 0.000 0.227 110 D C 0.859 176.911 176.300 -0.414 0.000 1.012 110 D CA 0.661 54.217 54.000 -0.740 0.000 0.905 110 D CB -0.479 39.650 40.800 -1.120 0.000 0.895 110 D HN 0.557 nan 8.370 nan 0.000 0.532 111 T N -4.395 110.076 114.554 -0.138 0.000 3.054 111 T HA 0.053 4.403 4.350 -0.000 0.000 0.255 111 T C 0.509 175.245 174.700 0.058 0.000 1.035 111 T CA -0.761 61.314 62.100 -0.042 0.000 0.941 111 T CB -0.737 68.116 68.868 -0.024 0.000 1.026 111 T HN 0.063 nan 8.240 nan 0.000 0.533 112 Y N 2.796 123.070 120.300 -0.043 0.000 2.895 112 Y HA 0.296 4.846 4.550 -0.001 0.000 0.334 112 Y C 1.606 177.481 175.900 -0.041 0.000 1.261 112 Y CA -0.565 57.527 58.100 -0.013 0.000 1.560 112 Y CB 0.297 38.765 38.460 0.013 0.000 1.253 112 Y HN 0.214 nan 8.280 nan 0.000 0.582 113 A N 4.318 126.853 122.820 -0.476 0.000 2.015 113 A HA -0.022 4.298 4.320 -0.000 0.000 0.219 113 A C 1.966 179.207 177.584 -0.571 0.000 1.163 113 A CA 1.383 53.172 52.037 -0.413 0.000 0.646 113 A CB -0.909 17.886 19.000 -0.342 0.000 0.806 113 A HN 1.022 nan 8.150 nan 0.000 0.448 114 G N -1.190 106.938 108.800 -1.120 0.000 3.371 114 G HA2 0.340 4.299 3.960 -0.000 0.000 0.248 114 G HA3 0.340 4.299 3.960 -0.000 0.000 0.248 114 G C 1.123 175.862 174.900 -0.268 0.000 1.161 114 G CA 0.698 45.221 45.100 -0.962 0.000 0.796 114 G HN 0.578 nan 8.290 nan 0.000 0.539 115 G N 1.494 110.259 108.800 -0.058 0.000 2.581 115 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.223 115 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.223 115 G C 2.041 177.043 174.900 0.171 0.000 1.094 115 G CA 1.677 46.883 45.100 0.177 0.000 0.736 115 G HN 0.678 nan 8.290 nan 0.000 0.588 116 S N -0.208 115.578 115.700 0.145 0.000 2.481 116 S HA 0.017 4.486 4.470 -0.000 0.000 0.231 116 S C 1.792 176.477 174.600 0.143 0.000 0.996 116 S CA 1.302 59.594 58.200 0.154 0.000 0.942 116 S CB 0.059 63.365 63.200 0.177 0.000 0.768 116 S HN 0.851 nan 8.310 nan 0.000 0.520 117 V N -3.149 116.835 119.914 0.116 0.000 3.346 117 V HA 0.696 4.816 4.120 -0.000 0.000 0.309 117 V C 0.459 176.516 176.094 -0.060 0.000 1.457 117 V CA -0.068 62.280 62.300 0.081 0.000 1.069 117 V CB 0.155 32.066 31.823 0.147 0.000 0.944 117 V HN 0.444 nan 8.190 nan 0.000 0.449 118 G N -0.756 107.957 108.800 -0.145 0.000 2.618 118 G HA2 0.624 4.584 3.960 -0.000 0.000 0.289 118 G HA3 0.624 4.584 3.960 -0.000 0.000 0.289 118 G C -0.111 174.738 174.900 -0.085 0.000 1.493 118 G CA 0.413 45.242 45.100 -0.452 0.000 1.133 118 G HN 0.577 nan 8.290 nan 0.000 0.578 119 G N 0.259 109.212 108.800 0.255 0.000 2.543 119 G HA2 0.577 4.536 3.960 -0.000 0.000 0.202 119 G HA3 0.577 4.536 3.960 -0.000 0.000 0.202 119 G C -0.322 174.813 174.900 0.392 0.000 1.897 119 G CA 0.059 45.417 45.100 0.430 0.000 0.726 119 G HN 0.634 nan 8.290 nan 0.000 0.804 120 T N 0.931 115.638 114.554 0.254 0.000 2.848 120 T HA 0.631 4.981 4.350 -0.000 0.000 0.285 120 T C -1.291 173.433 174.700 0.039 0.000 0.995 120 T CA -0.099 62.083 62.100 0.137 0.000 0.970 120 T CB 1.692 70.641 68.868 0.133 0.000 0.976 120 T HN 0.228 nan 8.240 nan 0.000 0.441 121 T N 3.934 118.492 114.554 0.007 0.000 2.985 121 T HA 0.420 4.770 4.350 -0.000 0.000 0.315 121 T C -1.406 173.245 174.700 -0.081 0.000 1.001 121 T CA -0.790 61.280 62.100 -0.050 0.000 1.016 121 T CB 0.769 69.624 68.868 -0.022 0.000 0.993 121 T HN 0.384 nan 8.240 nan 0.000 0.454 122 D N 2.676 123.007 120.400 -0.116 0.000 2.492 122 D HA 0.556 5.196 4.640 -0.000 0.000 0.248 122 D C -0.945 175.263 176.300 -0.154 0.000 1.101 122 D CA -0.479 53.454 54.000 -0.111 0.000 0.840 122 D CB 2.015 42.764 40.800 -0.084 0.000 1.209 122 D HN 0.288 nan 8.370 nan 0.000 0.524 123 L N 1.804 122.944 121.223 -0.139 0.000 2.406 123 L HA 0.432 4.772 4.340 -0.000 0.000 0.270 123 L C -0.892 175.935 176.870 -0.072 0.000 0.982 123 L CA -0.346 54.405 54.840 -0.148 0.000 0.843 123 L CB 1.635 43.554 42.059 -0.233 0.000 1.225 123 L HN 0.292 nan 8.230 nan 0.000 0.412 124 E N 3.006 123.166 120.200 -0.068 0.000 2.176 124 E HA 0.588 4.938 4.350 -0.000 0.000 0.267 124 E C -1.281 175.286 176.600 -0.055 0.000 0.893 124 E CA -0.428 55.951 56.400 -0.034 0.000 0.761 124 E CB 1.446 31.133 29.700 -0.022 0.000 1.133 124 E HN 0.652 nan 8.360 nan 0.000 0.409 125 T N 4.456 118.999 114.554 -0.018 0.000 2.876 125 T HA 0.455 4.805 4.350 -0.000 0.000 0.289 125 T C -0.883 173.800 174.700 -0.027 0.000 1.014 125 T CA -0.597 61.480 62.100 -0.038 0.000 0.986 125 T CB 1.057 69.949 68.868 0.039 0.000 1.021 125 T HN 0.546 nan 8.240 nan 0.000 0.458 126 M N 4.184 123.752 119.600 -0.055 0.000 2.204 126 M HA 0.463 4.943 4.480 -0.000 0.000 0.293 126 M C -1.369 174.899 176.300 -0.053 0.000 0.994 126 M CA -0.678 54.604 55.300 -0.029 0.000 0.925 126 M CB 1.219 33.825 32.600 0.010 0.000 1.577 126 M HN 0.419 nan 8.290 nan 0.000 0.439 127 N N 6.164 124.839 118.700 -0.041 0.000 2.425 127 N HA 0.396 5.136 4.740 -0.000 0.000 0.268 127 N C -1.830 173.678 175.510 -0.003 0.000 0.991 127 N CA -0.251 52.774 53.050 -0.043 0.000 0.931 127 N CB 1.108 39.550 38.487 -0.076 0.000 1.130 127 N HN 0.804 nan 8.380 nan 0.000 0.493 128 L N 3.128 124.383 121.223 0.053 0.000 2.265 128 L HA 0.350 4.690 4.340 -0.000 0.000 0.289 128 L C -0.063 176.853 176.870 0.076 0.000 1.033 128 L CA -0.710 54.195 54.840 0.107 0.000 0.814 128 L CB 0.977 43.174 42.059 0.229 0.000 1.203 128 L HN 0.527 nan 8.230 nan 0.000 0.423 129 N N 3.667 122.413 118.700 0.076 0.000 2.321 129 N HA 0.632 5.372 4.740 -0.000 0.000 0.299 129 N C -1.541 174.079 175.510 0.184 0.000 1.048 129 N CA -0.529 52.576 53.050 0.092 0.000 0.836 129 N CB 1.897 40.403 38.487 0.032 0.000 1.269 129 N HN 0.457 nan 8.380 nan 0.000 0.486 130 L N 2.969 124.348 121.223 0.261 0.000 2.406 130 L HA 0.721 5.060 4.340 -0.000 0.000 0.272 130 L C -1.186 175.866 176.870 0.303 0.000 0.980 130 L CA -0.117 54.912 54.840 0.314 0.000 0.831 130 L CB 1.378 43.640 42.059 0.337 0.000 1.253 130 L HN 0.778 nan 8.230 nan 0.000 0.406 131 S N 2.406 118.280 115.700 0.290 0.000 2.618 131 S HA 1.007 5.476 4.470 -0.000 0.000 0.277 131 S C -0.491 174.285 174.600 0.292 0.000 1.138 131 S CA -0.343 58.015 58.200 0.263 0.000 0.844 131 S CB 1.668 64.992 63.200 0.208 0.000 1.127 131 S HN 0.904 nan 8.310 nan 0.000 0.474 132 G N -0.626 108.339 108.800 0.274 0.000 2.574 132 G HA2 0.839 4.799 3.960 -0.000 0.000 0.299 132 G HA3 0.839 4.799 3.960 -0.000 0.000 0.299 132 G C -1.053 174.028 174.900 0.302 0.000 1.298 132 G CA -0.592 44.694 45.100 0.309 0.000 0.952 132 G HN 1.232 nan 8.290 nan 0.000 0.477 133 A N -0.225 122.793 122.820 0.330 0.000 2.479 133 A HA 0.849 5.169 4.320 -0.000 0.000 0.296 133 A C -1.965 175.839 177.584 0.368 0.000 1.121 133 A CA -0.766 51.459 52.037 0.313 0.000 0.743 133 A CB 1.861 20.987 19.000 0.211 0.000 1.323 133 A HN 1.439 nan 8.150 nan 0.000 0.415 134 Y N 0.439 120.836 120.300 0.161 0.000 2.354 134 Y HA 0.607 5.157 4.550 -0.000 0.000 0.330 134 Y C -0.217 175.700 175.900 0.029 0.000 1.011 134 Y CA -0.505 57.568 58.100 -0.044 0.000 1.099 134 Y CB 1.475 39.925 38.460 -0.017 0.000 1.179 134 Y HN 0.772 nan 8.280 nan 0.000 0.442 135 R N 6.482 126.524 120.500 -0.763 0.000 2.205 135 R HA 0.238 4.578 4.340 -0.000 0.000 0.342 135 R C 0.047 175.848 176.300 -0.831 0.000 1.058 135 R CA -0.365 55.416 56.100 -0.531 0.000 0.904 135 R CB 0.641 30.738 30.300 -0.338 0.000 1.089 135 R HN 0.942 nan 8.270 nan 0.000 0.471 136 L N 4.459 125.465 121.223 -0.361 0.000 2.056 136 L HA 0.050 4.390 4.340 -0.000 0.000 0.207 136 L C -0.011 176.847 176.870 -0.019 0.000 1.078 136 L CA 1.891 56.685 54.840 -0.076 0.000 0.749 136 L CB -0.432 41.840 42.059 0.356 0.000 0.901 136 L HN 0.931 nan 8.230 nan 0.000 0.433 137 N N -4.959 113.755 118.700 0.024 0.000 3.449 137 N HA 0.080 4.820 4.740 -0.000 0.000 0.312 137 N C -0.117 175.372 175.510 -0.035 0.000 1.557 137 N CA -0.319 52.738 53.050 0.012 0.000 0.864 137 N CB 0.077 38.618 38.487 0.091 0.000 1.799 137 N HN -0.250 nan 8.380 nan 0.000 0.554 138 N N -0.606 118.065 118.700 -0.049 0.000 2.364 138 N HA -0.006 4.734 4.740 -0.000 0.000 0.183 138 N C 1.194 176.595 175.510 -0.182 0.000 1.022 138 N CA 1.645 54.634 53.050 -0.101 0.000 0.883 138 N CB -0.162 38.274 38.487 -0.085 0.000 0.965 138 N HN 0.544 nan 8.380 nan 0.000 0.438 139 A N -0.806 121.891 122.820 -0.205 0.000 1.909 139 A HA 0.188 4.508 4.320 -0.000 0.000 0.209 139 A C 0.031 177.266 177.584 -0.582 0.000 1.247 139 A CA 0.033 51.755 52.037 -0.525 0.000 0.660 139 A CB -0.289 18.327 19.000 -0.639 0.000 0.910 139 A HN 0.225 nan 8.150 nan 0.000 0.465 140 W N 0.211 121.461 121.300 -0.085 0.000 2.438 140 W HA 0.677 5.337 4.660 -0.000 0.000 0.324 140 W C -0.055 176.447 176.519 -0.029 0.000 1.119 140 W CA -0.141 57.199 57.345 -0.009 0.000 1.221 140 W CB 1.297 30.905 29.460 0.247 0.000 1.253 140 W HN 0.037 nan 8.180 nan 0.000 0.555 141 S N 1.915 117.647 115.700 0.053 0.000 2.541 141 S HA 0.698 5.168 4.470 -0.000 0.000 0.280 141 S C -1.612 172.884 174.600 -0.173 0.000 1.112 141 S CA -0.720 57.503 58.200 0.039 0.000 0.925 141 S CB 0.981 64.165 63.200 -0.026 0.000 1.067 141 S HN 0.195 nan 8.310 nan 0.000 0.479 142 F N 0.881 120.966 119.950 0.224 0.000 2.547 142 F HA 0.710 5.237 4.527 0.000 0.000 0.316 142 F C 0.651 176.587 175.800 0.226 0.000 1.121 142 F CA -0.561 57.586 58.000 0.246 0.000 0.911 142 F CB 2.175 41.335 39.000 0.267 0.000 1.179 142 F HN 0.666 nan 8.300 nan 0.000 0.443 143 G N 2.612 111.610 108.800 0.330 0.000 2.524 143 G HA2 0.726 4.686 3.960 -0.000 0.000 0.310 143 G HA3 0.726 4.686 3.960 -0.000 0.000 0.310 143 G C -2.242 172.828 174.900 0.282 0.000 1.279 143 G CA -0.797 44.467 45.100 0.273 0.000 0.974 143 G HN 0.718 nan 8.290 nan 0.000 0.484 144 L N 1.190 122.574 121.223 0.268 0.000 2.455 144 L HA 0.863 5.203 4.340 -0.000 0.000 0.264 144 L C -0.061 176.969 176.870 0.267 0.000 0.968 144 L CA -0.578 54.430 54.840 0.279 0.000 0.827 144 L CB 2.262 44.463 42.059 0.236 0.000 1.317 144 L HN 0.810 nan 8.230 nan 0.000 0.407 145 G N 2.414 111.396 108.800 0.302 0.000 2.620 145 G HA2 0.519 4.479 3.960 -0.000 0.000 0.301 145 G HA3 0.519 4.479 3.960 -0.000 0.000 0.301 145 G C -2.221 172.897 174.900 0.365 0.000 1.347 145 G CA -0.476 44.794 45.100 0.283 0.000 0.971 145 G HN 0.429 nan 8.290 nan 0.000 0.488 146 F N 1.881 121.948 119.950 0.195 0.000 2.443 146 F HA 0.635 5.162 4.527 0.000 0.000 0.335 146 F C -0.502 175.418 175.800 0.199 0.000 1.104 146 F CA -1.301 56.825 58.000 0.209 0.000 1.013 146 F CB 1.725 40.822 39.000 0.160 0.000 1.136 146 F HN 0.298 nan 8.300 nan 0.000 0.470 147 N N 4.175 122.464 118.700 -0.685 0.000 2.296 147 N HA 0.603 5.343 4.740 -0.000 0.000 0.294 147 N C -1.655 173.470 175.510 -0.642 0.000 1.033 147 N CA -0.600 52.138 53.050 -0.520 0.000 0.839 147 N CB 2.110 40.461 38.487 -0.226 0.000 1.395 147 N HN 0.709 nan 8.380 nan 0.000 0.479 148 A N 1.910 124.552 122.820 -0.297 0.000 2.311 148 A HA 0.576 4.896 4.320 -0.000 0.000 0.306 148 A C -0.506 177.120 177.584 0.069 0.000 1.189 148 A CA -0.577 51.445 52.037 -0.024 0.000 0.791 148 A CB 0.590 19.811 19.000 0.368 0.000 1.172 148 A HN 0.357 nan 8.150 nan 0.000 0.481 149 V N 3.051 122.894 119.914 -0.118 0.000 2.417 149 V HA 0.310 4.430 4.120 -0.000 0.000 0.291 149 V C -0.715 175.141 176.094 -0.397 0.000 1.024 149 V CA -0.567 61.623 62.300 -0.184 0.000 0.861 149 V CB 1.072 32.777 31.823 -0.196 0.000 0.985 149 V HN 0.788 nan 8.190 nan 0.000 0.436 150 Y N 3.965 123.798 120.300 -0.779 0.000 2.342 150 Y HA 0.742 5.292 4.550 -0.000 0.000 0.334 150 Y C 0.087 175.668 175.900 -0.532 0.000 1.067 150 Y CA -0.749 56.677 58.100 -1.123 0.000 1.128 150 Y CB 1.449 39.048 38.460 -1.435 0.000 1.200 150 Y HN 0.761 nan 8.280 nan 0.000 0.464 151 A N 7.234 129.416 122.820 -1.064 0.000 2.398 151 A HA 0.689 5.009 4.320 -0.000 0.000 0.301 151 A C -1.385 175.866 177.584 -0.555 0.000 1.041 151 A CA -0.976 50.708 52.037 -0.589 0.000 0.711 151 A CB 1.285 20.135 19.000 -0.250 0.000 1.240 151 A HN 0.798 nan 8.150 nan 0.000 0.420 152 R N 1.971 122.263 120.500 -0.346 0.000 2.439 152 R HA 0.713 5.053 4.340 -0.000 0.000 0.310 152 R C -0.859 175.337 176.300 -0.173 0.000 0.955 152 R CA -0.149 55.817 56.100 -0.223 0.000 0.853 152 R CB 1.451 31.658 30.300 -0.155 0.000 1.171 152 R HN 1.034 nan 8.270 nan 0.000 0.449 153 A N 4.026 126.680 122.820 -0.276 0.000 2.413 153 A HA 0.637 4.957 4.320 -0.000 0.000 0.307 153 A C -1.376 175.991 177.584 -0.362 0.000 1.087 153 A CA -0.775 51.039 52.037 -0.373 0.000 0.750 153 A CB 1.829 20.446 19.000 -0.639 0.000 1.296 153 A HN 0.684 nan 8.150 nan 0.000 0.423 154 K N 1.760 121.975 120.400 -0.309 0.000 2.565 154 K HA 0.608 4.928 4.320 -0.000 0.000 0.251 154 K C -2.160 174.265 176.600 -0.292 0.000 0.956 154 K CA -0.329 55.777 56.287 -0.302 0.000 0.809 154 K CB 1.301 33.691 32.500 -0.182 0.000 1.267 154 K HN 0.669 nan 8.250 nan 0.000 0.438 155 I N 3.216 123.552 120.570 -0.390 0.000 2.466 155 I HA 0.347 4.517 4.170 -0.000 0.000 0.289 155 I C -0.789 175.116 176.117 -0.355 0.000 1.026 155 I CA -0.610 60.487 61.300 -0.339 0.000 1.078 155 I CB 2.107 39.853 38.000 -0.422 0.000 1.249 155 I HN 0.548 nan 8.210 nan 0.000 0.429 156 E N 6.107 126.177 120.200 -0.217 0.000 2.275 156 E HA 0.533 4.883 4.350 -0.000 0.000 0.270 156 E C -1.231 175.203 176.600 -0.276 0.000 0.882 156 E CA -1.039 55.198 56.400 -0.271 0.000 0.758 156 E CB 2.712 32.316 29.700 -0.160 0.000 1.195 156 E HN 0.326 nan 8.360 nan 0.000 0.419 157 R N 1.936 122.162 120.500 -0.457 0.000 2.807 157 R HA 0.621 4.961 4.340 -0.000 0.000 0.276 157 R C -0.963 174.959 176.300 -0.630 0.000 0.979 157 R CA -0.693 55.235 56.100 -0.288 0.000 0.928 157 R CB 1.074 31.351 30.300 -0.038 0.000 1.191 157 R HN 0.390 nan 8.270 nan 0.000 0.471 158 F N -1.129 118.852 119.950 0.051 0.000 2.631 158 F HA 0.460 4.987 4.527 -0.000 0.000 0.328 158 F C 1.350 177.169 175.800 0.030 0.000 1.067 158 F CA -0.829 57.193 58.000 0.036 0.000 0.969 158 F CB 1.168 40.194 39.000 0.045 0.000 1.332 158 F HN 0.601 nan 8.300 nan 0.000 0.490 159 A N 0.934 123.878 122.820 0.206 0.000 1.933 159 A HA 0.323 4.643 4.320 -0.000 0.000 0.218 159 A C 1.694 179.345 177.584 0.112 0.000 1.175 159 A CA 1.683 53.782 52.037 0.103 0.000 0.628 159 A CB -1.363 17.672 19.000 0.059 0.000 0.814 159 A HN 1.593 nan 8.150 nan 0.000 0.444 160 G N 0.172 109.043 108.800 0.120 0.000 2.550 160 G HA2 -0.361 3.599 3.960 -0.000 0.000 0.277 160 G HA3 -0.361 3.599 3.960 -0.000 0.000 0.277 160 G C 0.177 175.104 174.900 0.044 0.000 1.190 160 G CA 0.904 46.036 45.100 0.053 0.000 0.971 160 G HN 1.058 nan 8.290 nan 0.000 0.559 161 D N 0.755 121.187 120.400 0.053 0.000 2.388 161 D HA 0.293 4.933 4.640 -0.000 0.000 0.221 161 D C 2.243 178.583 176.300 0.066 0.000 1.133 161 D CA 0.216 54.247 54.000 0.052 0.000 0.831 161 D CB -0.126 40.697 40.800 0.038 0.000 0.962 161 D HN 0.502 nan 8.370 nan 0.000 0.502 162 L N 0.535 121.805 121.223 0.078 0.000 2.042 162 L HA -0.081 4.258 4.340 -0.000 0.000 0.210 162 L C 2.552 179.436 176.870 0.024 0.000 1.076 162 L CA 1.732 56.596 54.840 0.039 0.000 0.749 162 L CB -0.767 41.309 42.059 0.028 0.000 0.893 162 L HN 0.286 nan 8.230 nan 0.000 0.432 163 G N -0.870 107.948 108.800 0.030 0.000 2.440 163 G HA2 -0.345 3.615 3.960 -0.000 0.000 0.218 163 G HA3 -0.345 3.615 3.960 -0.000 0.000 0.218 163 G C 1.505 176.424 174.900 0.032 0.000 1.154 163 G CA 0.851 45.974 45.100 0.038 0.000 0.767 163 G HN 0.411 nan 8.290 nan 0.000 0.552 164 Q N -0.292 119.523 119.800 0.026 0.000 2.050 164 Q HA -0.006 4.334 4.340 -0.000 0.000 0.202 164 Q C 2.625 178.631 176.000 0.010 0.000 0.980 164 Q CA 0.975 56.789 55.803 0.018 0.000 0.840 164 Q CB -0.207 28.541 28.738 0.016 0.000 0.898 164 Q HN 0.519 nan 8.270 nan 0.000 0.424 165 L N -0.198 121.028 121.223 0.006 0.000 2.046 165 L HA -0.185 4.155 4.340 -0.000 0.000 0.208 165 L C 2.427 179.291 176.870 -0.010 0.000 1.077 165 L CA 0.784 55.617 54.840 -0.010 0.000 0.747 165 L CB -0.425 41.616 42.059 -0.030 0.000 0.896 165 L HN 0.138 nan 8.230 nan 0.000 0.432 166 V N 0.103 120.018 119.914 0.000 0.000 2.343 166 V HA -0.296 3.824 4.120 -0.000 0.000 0.247 166 V C 2.769 178.866 176.094 0.005 0.000 1.051 166 V CA 1.838 64.141 62.300 0.005 0.000 1.036 166 V CB -0.930 30.910 31.823 0.029 0.000 0.654 166 V HN 0.485 nan 8.190 nan 0.000 0.451 167 A N 0.506 123.333 122.820 0.011 0.000 1.902 167 A HA -0.096 4.224 4.320 -0.000 0.000 0.217 167 A C 2.418 180.002 177.584 0.000 0.000 1.181 167 A CA 1.991 54.033 52.037 0.008 0.000 0.623 167 A CB -1.244 17.764 19.000 0.013 0.000 0.818 167 A HN 0.527 nan 8.150 nan 0.000 0.443 168 G N -1.008 107.791 108.800 -0.002 0.000 2.459 168 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.217 168 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.217 168 G C 1.614 176.507 174.900 -0.010 0.000 1.183 168 G CA 1.348 46.444 45.100 -0.006 0.000 0.776 168 G HN 0.499 nan 8.290 nan 0.000 0.552 169 Q N 0.458 120.249 119.800 -0.013 0.000 2.061 169 Q HA -0.057 4.283 4.340 -0.000 0.000 0.204 169 Q C 2.503 178.494 176.000 -0.015 0.000 0.984 169 Q CA 1.273 57.066 55.803 -0.017 0.000 0.846 169 Q CB -0.441 28.284 28.738 -0.021 0.000 0.902 169 Q HN 0.613 nan 8.270 nan 0.000 0.421 170 I N -0.587 119.975 120.570 -0.013 0.000 2.076 170 I HA -0.316 3.854 4.170 -0.000 0.000 0.237 170 I C 1.942 178.052 176.117 -0.012 0.000 1.059 170 I CA 1.206 62.498 61.300 -0.014 0.000 1.317 170 I CB -0.350 37.642 38.000 -0.013 0.000 1.037 170 I HN 0.287 nan 8.210 nan 0.000 0.398 171 M N -0.129 119.466 119.600 -0.009 0.000 2.267 171 M HA -0.227 4.252 4.480 -0.000 0.000 0.263 171 M C 2.043 178.338 176.300 -0.008 0.000 1.063 171 M CA 1.650 56.946 55.300 -0.007 0.000 1.090 171 M CB -1.256 31.341 32.600 -0.005 0.000 1.392 171 M HN 0.358 nan 8.290 nan 0.000 0.422 172 Q N -0.177 119.618 119.800 -0.009 0.000 2.424 172 Q HA 0.032 4.372 4.340 -0.000 0.000 0.204 172 Q C 0.823 176.817 176.000 -0.010 0.000 0.933 172 Q CA 0.198 55.995 55.803 -0.009 0.000 0.929 172 Q CB 0.290 29.022 28.738 -0.011 0.000 1.037 172 Q HN 0.526 nan 8.270 nan 0.000 0.511 173 S N -0.599 115.095 115.700 -0.011 0.000 2.713 173 S HA 0.292 4.762 4.470 -0.000 0.000 0.283 173 S C -2.112 172.482 174.600 -0.010 0.000 1.161 173 S CA -1.477 56.717 58.200 -0.011 0.000 0.999 173 S CB 1.219 64.412 63.200 -0.013 0.000 1.039 173 S HN -0.232 nan 8.310 nan 0.000 0.548 174 P HA 0.021 nan 4.420 nan 0.000 0.219 174 P C 1.325 178.619 177.300 -0.009 0.000 1.146 174 P CA 1.604 64.699 63.100 -0.008 0.000 0.808 174 P CB -0.220 31.476 31.700 -0.007 0.000 0.779 175 A N -0.218 122.595 122.820 -0.011 0.000 2.125 175 A HA -0.034 4.286 4.320 -0.000 0.000 0.219 175 A C 2.364 179.940 177.584 -0.013 0.000 1.156 175 A CA 1.629 53.658 52.037 -0.013 0.000 0.671 175 A CB -1.702 17.287 19.000 -0.018 0.000 0.794 175 A HN 0.286 nan 8.150 nan 0.000 0.459 176 G N -1.269 107.525 108.800 -0.011 0.000 2.470 176 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.220 176 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.220 176 G C 1.342 176.237 174.900 -0.008 0.000 1.121 176 G CA 0.767 45.862 45.100 -0.009 0.000 0.766 176 G HN 0.484 nan 8.290 nan 0.000 0.553 177 Q N 0.284 120.079 119.800 -0.007 0.000 2.360 177 Q HA 0.081 4.421 4.340 -0.000 0.000 0.202 177 Q C 1.327 177.323 176.000 -0.006 0.000 0.915 177 Q CA 0.464 56.264 55.803 -0.006 0.000 0.943 177 Q CB 0.188 28.923 28.738 -0.005 0.000 1.064 177 Q HN 0.575 nan 8.270 nan 0.000 0.511 178 T N -2.049 112.500 114.554 -0.008 0.000 2.927 178 T HA 0.254 4.604 4.350 -0.000 0.000 0.281 178 T C 1.096 175.791 174.700 -0.009 0.000 0.998 178 T CA -0.540 61.555 62.100 -0.008 0.000 1.019 178 T CB 1.450 70.313 68.868 -0.009 0.000 1.061 178 T HN 0.029 nan 8.240 nan 0.000 0.518 179 Q N 0.588 120.383 119.800 -0.008 0.000 2.230 179 Q HA -0.055 4.285 4.340 -0.000 0.000 0.202 179 Q C 2.226 178.218 176.000 -0.013 0.000 0.963 179 Q CA 1.218 57.016 55.803 -0.009 0.000 0.866 179 Q CB -0.374 28.360 28.738 -0.007 0.000 0.931 179 Q HN 0.840 nan 8.270 nan 0.000 0.452 180 Q N 0.847 120.639 119.800 -0.015 0.000 2.020 180 Q HA -0.135 4.205 4.340 -0.000 0.000 0.202 180 Q C 2.071 178.055 176.000 -0.027 0.000 0.982 180 Q CA 1.839 57.629 55.803 -0.021 0.000 0.838 180 Q CB -0.660 28.065 28.738 -0.021 0.000 0.899 180 Q HN 0.557 nan 8.270 nan 0.000 0.423 181 G N 0.277 109.063 108.800 -0.023 0.000 2.442 181 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.219 181 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.219 181 G C 1.263 176.151 174.900 -0.020 0.000 1.141 181 G CA 0.894 45.980 45.100 -0.025 0.000 0.763 181 G HN 0.429 nan 8.290 nan 0.000 0.554 182 Q N -0.003 119.788 119.800 -0.015 0.000 2.084 182 Q HA 0.001 4.341 4.340 -0.000 0.000 0.202 182 Q C 3.008 179.001 176.000 -0.011 0.000 0.978 182 Q CA 1.443 57.240 55.803 -0.010 0.000 0.844 182 Q CB -0.268 28.465 28.738 -0.008 0.000 0.898 182 Q HN 0.483 nan 8.270 nan 0.000 0.426 183 A N 0.139 122.949 122.820 -0.016 0.000 1.902 183 A HA -0.178 4.142 4.320 -0.000 0.000 0.217 183 A C 1.904 179.473 177.584 -0.025 0.000 1.181 183 A CA 1.137 53.163 52.037 -0.019 0.000 0.623 183 A CB -0.483 18.503 19.000 -0.024 0.000 0.818 183 A HN 0.269 nan 8.150 nan 0.000 0.443 184 L N -0.455 120.747 121.223 -0.035 0.000 2.056 184 L HA -0.081 4.259 4.340 -0.000 0.000 0.207 184 L C 2.971 179.833 176.870 -0.014 0.000 1.078 184 L CA 1.819 56.633 54.840 -0.044 0.000 0.749 184 L CB -1.089 40.933 42.059 -0.061 0.000 0.901 184 L HN 0.398 nan 8.230 nan 0.000 0.433 185 A N -0.750 122.065 122.820 -0.009 0.000 1.902 185 A HA -0.159 4.160 4.320 -0.000 0.000 0.217 185 A C 2.501 180.093 177.584 0.013 0.000 1.181 185 A CA 1.845 53.884 52.037 0.004 0.000 0.623 185 A CB -0.937 18.063 19.000 -0.000 0.000 0.818 185 A HN 0.395 nan 8.150 nan 0.000 0.443 186 A N -0.919 121.906 122.820 0.008 0.000 1.865 186 A HA -0.129 4.191 4.320 -0.000 0.000 0.217 186 A C 2.331 179.931 177.584 0.027 0.000 1.191 186 A CA 2.455 54.501 52.037 0.014 0.000 0.623 186 A CB -1.427 17.578 19.000 0.008 0.000 0.826 186 A HN 0.438 nan 8.150 nan 0.000 0.444 187 T N 0.328 114.897 114.554 0.025 0.000 2.746 187 T HA -0.037 4.313 4.350 -0.000 0.000 0.267 187 T C 2.220 176.977 174.700 0.095 0.000 1.039 187 T CA 1.688 63.817 62.100 0.050 0.000 1.142 187 T CB -0.530 68.348 68.868 0.016 0.000 0.866 187 T HN 0.624 nan 8.240 nan 0.000 0.444 188 A N 2.144 125.014 122.820 0.084 0.000 1.865 188 A HA -0.197 4.123 4.320 -0.000 0.000 0.217 188 A C 2.143 179.771 177.584 0.074 0.000 1.191 188 A CA 2.127 54.224 52.037 0.101 0.000 0.623 188 A CB -1.025 18.016 19.000 0.067 0.000 0.826 188 A HN 0.591 nan 8.150 nan 0.000 0.444 189 N N -0.416 118.314 118.700 0.050 0.000 2.289 189 N HA -0.052 4.688 4.740 -0.000 0.000 0.184 189 N C 1.604 177.141 175.510 0.045 0.000 1.016 189 N CA 0.895 53.968 53.050 0.039 0.000 0.872 189 N CB -0.252 38.252 38.487 0.027 0.000 0.973 189 N HN 0.509 nan 8.380 nan 0.000 0.433 190 G N 0.222 109.055 108.800 0.055 0.000 2.559 190 G HA2 -0.034 3.926 3.960 -0.000 0.000 0.216 190 G HA3 -0.034 3.926 3.960 -0.000 0.000 0.216 190 G C 0.445 175.386 174.900 0.067 0.000 1.126 190 G CA 0.011 45.145 45.100 0.057 0.000 0.778 190 G HN 0.226 nan 8.290 nan 0.000 0.543 191 I N 2.401 123.016 120.570 0.076 0.000 2.278 191 I HA 0.108 4.278 4.170 -0.000 0.000 0.296 191 I C -0.483 175.665 176.117 0.051 0.000 1.121 191 I CA -0.833 60.507 61.300 0.067 0.000 1.267 191 I CB 0.519 38.554 38.000 0.059 0.000 1.447 191 I HN -0.088 nan 8.210 nan 0.000 0.509 192 D N 3.759 124.190 120.400 0.052 0.000 2.419 192 D HA -0.054 4.586 4.640 -0.000 0.000 0.236 192 D C 1.466 177.800 176.300 0.057 0.000 1.165 192 D CA 0.195 54.223 54.000 0.047 0.000 0.882 192 D CB 0.971 41.798 40.800 0.045 0.000 1.201 192 D HN 0.570 nan 8.370 nan 0.000 0.443 193 S N 1.263 116.990 115.700 0.045 0.000 2.442 193 S HA -0.209 4.261 4.470 -0.000 0.000 0.236 193 S C 1.048 175.697 174.600 0.081 0.000 1.007 193 S CA 0.706 58.937 58.200 0.052 0.000 0.965 193 S CB -0.188 63.025 63.200 0.022 0.000 0.773 193 S HN 0.579 nan 8.310 nan 0.000 0.504 194 N N 0.680 119.417 118.700 0.061 0.000 2.235 194 N HA 0.057 4.797 4.740 -0.000 0.000 0.209 194 N C -0.668 175.010 175.510 0.279 0.000 1.122 194 N CA -0.062 53.024 53.050 0.059 0.000 0.845 194 N CB -0.641 37.798 38.487 -0.081 0.000 1.004 194 N HN 0.127 nan 8.380 nan 0.000 0.499 195 T N 1.518 116.202 114.554 0.216 0.000 2.817 195 T HA -0.013 4.337 4.350 -0.000 0.000 0.295 195 T C 0.225 175.050 174.700 0.208 0.000 0.958 195 T CA -0.045 62.156 62.100 0.169 0.000 1.157 195 T CB 0.785 69.701 68.868 0.081 0.000 0.898 195 T HN 0.159 nan 8.240 nan 0.000 0.536 196 K N 3.299 123.781 120.400 0.137 0.000 2.419 196 K HA 0.076 4.396 4.320 -0.000 0.000 0.282 196 K C 0.669 177.167 176.600 -0.171 0.000 1.056 196 K CA -0.299 55.903 56.287 -0.143 0.000 1.035 196 K CB 0.171 32.579 32.500 -0.153 0.000 0.921 196 K HN 0.412 nan 8.250 nan 0.000 0.472 197 I N 3.630 124.060 120.570 -0.233 0.000 3.030 197 I HA 0.058 4.228 4.170 -0.000 0.000 0.270 197 I C 0.127 176.185 176.117 -0.098 0.000 1.211 197 I CA 0.664 61.887 61.300 -0.129 0.000 1.479 197 I CB 0.397 38.355 38.000 -0.071 0.000 1.105 197 I HN 0.686 nan 8.210 nan 0.000 0.447 198 A N -1.242 121.460 122.820 -0.196 0.000 2.577 198 A HA 0.627 4.947 4.320 -0.000 0.000 0.297 198 A C -1.423 175.988 177.584 -0.288 0.000 1.060 198 A CA -0.451 51.485 52.037 -0.169 0.000 0.697 198 A CB 0.566 19.599 19.000 0.056 0.000 1.281 198 A HN 0.251 nan 8.150 nan 0.000 0.402 199 H N 0.683 119.472 119.070 -0.468 0.000 2.877 199 H HA 0.737 5.293 4.556 -0.000 0.000 0.347 199 H C -2.070 173.047 175.328 -0.352 0.000 1.042 199 H CA -0.484 55.327 56.048 -0.395 0.000 1.276 199 H CB 1.114 30.668 29.762 -0.347 0.000 1.681 199 H HN 0.564 nan 8.280 nan 0.000 0.521 200 L N 5.844 126.540 121.223 -0.879 0.000 2.476 200 L HA 0.412 4.752 4.340 -0.000 0.000 0.269 200 L C -0.969 175.470 176.870 -0.718 0.000 0.965 200 L CA -0.606 53.886 54.840 -0.580 0.000 0.845 200 L CB 1.742 43.524 42.059 -0.462 0.000 1.259 200 L HN 0.833 nan 8.230 nan 0.000 0.403 201 N N 1.750 120.157 118.700 -0.487 0.000 2.329 201 N HA 0.890 5.630 4.740 -0.000 0.000 0.282 201 N C -0.895 174.475 175.510 -0.234 0.000 1.198 201 N CA -0.401 52.435 53.050 -0.355 0.000 0.790 201 N CB 3.185 41.563 38.487 -0.181 0.000 1.579 201 N HN 0.651 nan 8.380 nan 0.000 0.475 202 G N 0.520 109.168 108.800 -0.253 0.000 2.489 202 G HA2 0.306 4.266 3.960 -0.000 0.000 0.291 202 G HA3 0.306 4.266 3.960 -0.000 0.000 0.291 202 G C -2.232 172.677 174.900 0.016 0.000 1.487 202 G CA -0.757 44.283 45.100 -0.100 0.000 0.795 202 G HN 0.642 nan 8.290 nan 0.000 0.513 203 N N 0.364 119.173 118.700 0.181 0.000 2.295 203 N HA 0.685 5.425 4.740 -0.000 0.000 0.293 203 N C -1.050 174.518 175.510 0.098 0.000 1.040 203 N CA -0.505 52.602 53.050 0.096 0.000 0.840 203 N CB 2.511 41.050 38.487 0.086 0.000 1.468 203 N HN 0.635 nan 8.380 nan 0.000 0.478 204 Q N 0.550 120.232 119.800 -0.197 0.000 2.522 204 Q HA 0.486 4.826 4.340 -0.000 0.000 0.285 204 Q C -2.140 173.642 176.000 -0.362 0.000 0.982 204 Q CA -0.483 55.175 55.803 -0.243 0.000 0.805 204 Q CB 1.550 29.975 28.738 -0.522 0.000 1.457 204 Q HN 0.548 nan 8.270 nan 0.000 0.394 205 W N 0.903 122.098 121.300 -0.175 0.000 2.551 205 W HA 0.814 5.474 4.660 0.000 0.000 0.330 205 W C 0.467 176.712 176.519 -0.456 0.000 1.063 205 W CA -0.272 56.915 57.345 -0.263 0.000 1.222 205 W CB 2.205 31.563 29.460 -0.170 0.000 1.349 205 W HN 0.702 nan 8.180 nan 0.000 0.536 206 G N 1.363 109.926 108.800 -0.396 0.000 2.630 206 G HA2 0.829 4.789 3.960 -0.000 0.000 0.296 206 G HA3 0.829 4.789 3.960 -0.000 0.000 0.296 206 G C -2.186 172.301 174.900 -0.687 0.000 1.285 206 G CA -0.714 44.153 45.100 -0.388 0.000 0.958 206 G HN 0.247 nan 8.290 nan 0.000 0.479 207 F N -0.813 119.167 119.950 0.050 0.000 2.578 207 F HA 0.782 5.309 4.527 0.000 0.000 0.311 207 F C 0.600 176.407 175.800 0.012 0.000 1.094 207 F CA -0.318 57.692 58.000 0.017 0.000 0.923 207 F CB 2.779 41.861 39.000 0.136 0.000 1.230 207 F HN 0.857 nan 8.300 nan 0.000 0.450 208 G N 0.730 109.604 108.800 0.123 0.000 2.663 208 G HA2 0.636 4.596 3.960 -0.000 0.000 0.299 208 G HA3 0.636 4.596 3.960 -0.000 0.000 0.299 208 G C -2.258 172.750 174.900 0.180 0.000 1.372 208 G CA -0.776 44.395 45.100 0.118 0.000 0.781 208 G HN 0.745 nan 8.290 nan 0.000 0.491 209 W N 0.224 121.526 121.300 0.003 0.000 3.047 209 W HA 0.736 5.397 4.660 0.000 0.000 0.341 209 W C -1.410 175.096 176.519 -0.021 0.000 1.225 209 W CA -0.978 56.391 57.345 0.039 0.000 1.150 209 W CB 1.227 30.767 29.460 0.134 0.000 1.470 209 W HN 0.781 nan 8.180 nan 0.000 0.578 210 N N 1.036 119.839 118.700 0.171 0.000 2.494 210 N HA 0.724 5.464 4.740 -0.000 0.000 0.270 210 N C -1.919 173.757 175.510 0.276 0.000 1.285 210 N CA -0.565 52.439 53.050 -0.077 0.000 0.812 210 N CB 1.923 40.308 38.487 -0.170 0.000 1.557 210 N HN 0.820 nan 8.380 nan 0.000 0.487 211 A N -0.467 122.476 122.820 0.204 0.000 2.539 211 A HA 0.912 5.232 4.320 -0.000 0.000 0.296 211 A C -0.633 177.073 177.584 0.203 0.000 1.073 211 A CA -0.279 51.950 52.037 0.320 0.000 0.700 211 A CB 1.675 20.995 19.000 0.535 0.000 1.296 211 A HN 0.986 nan 8.150 nan 0.000 0.405 212 G N -0.184 108.741 108.800 0.209 0.000 2.659 212 G HA2 0.633 4.593 3.960 -0.000 0.000 0.296 212 G HA3 0.633 4.593 3.960 -0.000 0.000 0.296 212 G C -1.478 173.502 174.900 0.133 0.000 1.369 212 G CA -0.464 44.728 45.100 0.152 0.000 0.937 212 G HN 0.683 nan 8.290 nan 0.000 0.485 213 I N 0.979 121.603 120.570 0.090 0.000 2.499 213 I HA 0.372 4.542 4.170 -0.000 0.000 0.288 213 I C -1.209 174.917 176.117 0.014 0.000 1.048 213 I CA -0.780 60.504 61.300 -0.028 0.000 1.062 213 I CB 2.232 40.288 38.000 0.094 0.000 1.238 213 I HN 0.303 nan 8.210 nan 0.000 0.426 214 L N 8.052 129.235 121.223 -0.066 0.000 2.333 214 L HA 0.537 4.877 4.340 -0.000 0.000 0.280 214 L C -1.681 175.130 176.870 -0.098 0.000 1.004 214 L CA -0.404 54.414 54.840 -0.038 0.000 0.820 214 L CB 1.434 43.454 42.059 -0.065 0.000 1.247 214 L HN 0.467 nan 8.230 nan 0.000 0.416 215 Y N 4.311 124.459 120.300 -0.252 0.000 2.361 215 Y HA 0.604 5.154 4.550 -0.000 0.000 0.337 215 Y C -1.124 174.624 175.900 -0.252 0.000 0.965 215 Y CA -0.588 57.199 58.100 -0.522 0.000 1.091 215 Y CB 1.528 39.488 38.460 -0.834 0.000 1.182 215 Y HN 0.727 nan 8.280 nan 0.000 0.450 216 E N 5.803 125.548 120.200 -0.759 0.000 2.246 216 E HA 0.265 4.615 4.350 -0.000 0.000 0.266 216 E C -0.949 175.358 176.600 -0.488 0.000 0.880 216 E CA -0.746 55.423 56.400 -0.385 0.000 0.762 216 E CB 2.333 31.883 29.700 -0.249 0.000 1.180 216 E HN 0.662 nan 8.360 nan 0.000 0.416 217 L N 2.176 123.322 121.223 -0.128 0.000 1.961 217 L HA -0.101 4.239 4.340 -0.000 0.000 0.210 217 L C 0.621 177.434 176.870 -0.095 0.000 1.072 217 L CA 2.463 57.272 54.840 -0.051 0.000 0.749 217 L CB -0.462 41.659 42.059 0.104 0.000 0.889 217 L HN 0.817 nan 8.230 nan 0.000 0.432 218 D N -4.480 115.890 120.400 -0.049 0.000 2.758 218 D HA 0.222 4.862 4.640 -0.000 0.000 0.279 218 D C 0.228 176.493 176.300 -0.059 0.000 1.111 218 D CA -0.687 53.280 54.000 -0.056 0.000 1.109 218 D CB 0.412 41.199 40.800 -0.021 0.000 1.428 218 D HN -0.362 nan 8.370 nan 0.000 0.586 219 K N -0.849 119.516 120.400 -0.059 0.000 2.574 219 K HA 0.170 4.490 4.320 -0.000 0.000 0.193 219 K C 0.260 176.846 176.600 -0.023 0.000 1.035 219 K CA 0.536 56.783 56.287 -0.067 0.000 0.982 219 K CB -0.251 32.203 32.500 -0.077 0.000 0.795 219 K HN 0.285 nan 8.250 nan 0.000 0.491 220 N N -0.286 118.423 118.700 0.016 0.000 2.181 220 N HA 0.062 4.802 4.740 -0.000 0.000 0.207 220 N C -0.795 174.780 175.510 0.108 0.000 1.182 220 N CA 0.070 53.165 53.050 0.075 0.000 0.893 220 N CB 0.650 39.159 38.487 0.037 0.000 1.032 220 N HN 0.058 nan 8.380 nan 0.000 0.513 221 N N 1.210 119.961 118.700 0.085 0.000 2.454 221 N HA 0.269 5.009 4.740 -0.000 0.000 0.291 221 N C -0.922 174.635 175.510 0.080 0.000 1.079 221 N CA -0.319 52.782 53.050 0.086 0.000 0.893 221 N CB 2.638 41.208 38.487 0.137 0.000 1.512 221 N HN 0.154 nan 8.380 nan 0.000 0.497 222 R N 0.540 121.017 120.500 -0.038 0.000 2.774 222 R HA 0.604 4.944 4.340 -0.000 0.000 0.272 222 R C -1.682 174.451 176.300 -0.279 0.000 1.000 222 R CA -0.751 55.340 56.100 -0.014 0.000 0.906 222 R CB 1.404 31.667 30.300 -0.061 0.000 1.227 222 R HN 0.292 nan 8.270 nan 0.000 0.468 223 Y N -0.410 119.932 120.300 0.070 0.000 2.545 223 Y HA 0.817 5.367 4.550 -0.000 0.000 0.348 223 Y C -0.410 175.523 175.900 0.055 0.000 1.002 223 Y CA -0.730 57.412 58.100 0.069 0.000 1.039 223 Y CB 2.866 41.377 38.460 0.085 0.000 1.271 223 Y HN 0.999 nan 8.280 nan 0.000 0.467 224 A N 1.704 124.642 122.820 0.196 0.000 2.572 224 A HA 0.796 5.115 4.320 -0.000 0.000 0.295 224 A C -2.469 175.220 177.584 0.176 0.000 1.072 224 A CA -0.620 51.507 52.037 0.149 0.000 0.691 224 A CB 1.778 20.823 19.000 0.075 0.000 1.291 224 A HN 0.624 nan 8.150 nan 0.000 0.404 225 L N 1.463 122.798 121.223 0.187 0.000 2.385 225 L HA 0.865 5.205 4.340 -0.000 0.000 0.273 225 L C -0.008 176.996 176.870 0.223 0.000 0.990 225 L CA 0.387 55.370 54.840 0.238 0.000 0.821 225 L CB 2.153 44.379 42.059 0.278 0.000 1.279 225 L HN 1.060 nan 8.230 nan 0.000 0.412 226 T N 1.254 115.943 114.554 0.224 0.000 2.903 226 T HA 0.611 4.961 4.350 -0.000 0.000 0.299 226 T C -1.377 173.355 174.700 0.053 0.000 1.093 226 T CA -0.641 61.532 62.100 0.121 0.000 1.002 226 T CB 1.568 70.448 68.868 0.021 0.000 1.127 226 T HN 0.507 nan 8.240 nan 0.000 0.488 227 Y N 0.903 121.029 120.300 -0.290 0.000 2.396 227 Y HA 0.648 5.198 4.550 -0.000 0.000 0.332 227 Y C -0.649 174.886 175.900 -0.607 0.000 1.034 227 Y CA -1.113 56.569 58.100 -0.696 0.000 1.057 227 Y CB 1.799 39.639 38.460 -1.034 0.000 1.220 227 Y HN 0.954 nan 8.280 nan 0.000 0.440 228 R N 4.789 124.531 120.500 -1.264 0.000 2.337 228 R HA 0.472 4.812 4.340 -0.000 0.000 0.319 228 R C -0.376 175.056 176.300 -1.446 0.000 0.954 228 R CA -0.404 55.084 56.100 -1.020 0.000 0.840 228 R CB 0.801 30.731 30.300 -0.616 0.000 1.164 228 R HN 0.858 nan 8.270 nan 0.000 0.472 229 S N 2.318 117.144 115.700 -1.457 0.000 2.572 229 S HA -0.040 4.430 4.470 -0.000 0.000 0.267 229 S C 0.299 174.540 174.600 -0.599 0.000 1.361 229 S CA -0.531 57.006 58.200 -1.104 0.000 1.009 229 S CB 0.898 63.481 63.200 -1.028 0.000 0.888 229 S HN 0.748 nan 8.310 nan 0.000 0.553 230 E N -0.303 119.692 120.200 -0.342 0.000 2.392 230 E HA 0.381 4.731 4.350 -0.000 0.000 0.259 230 E C -1.292 175.204 176.600 -0.172 0.000 1.108 230 E CA -0.615 55.645 56.400 -0.233 0.000 0.916 230 E CB 0.662 30.291 29.700 -0.119 0.000 0.989 230 E HN 0.496 nan 8.360 nan 0.000 0.432 231 V N 4.078 123.890 119.914 -0.172 0.000 2.447 231 V HA 0.241 4.361 4.120 -0.000 0.000 0.292 231 V C -0.718 175.306 176.094 -0.117 0.000 1.021 231 V CA -0.769 61.457 62.300 -0.124 0.000 0.850 231 V CB 1.626 33.359 31.823 -0.150 0.000 1.005 231 V HN 0.616 nan 8.190 nan 0.000 0.426 232 K N 5.503 125.869 120.400 -0.056 0.000 2.234 232 K HA 0.640 4.960 4.320 -0.000 0.000 0.277 232 K C -0.873 175.675 176.600 -0.086 0.000 1.038 232 K CA -0.324 55.936 56.287 -0.045 0.000 0.888 232 K CB 1.711 34.217 32.500 0.010 0.000 1.091 232 K HN 0.545 nan 8.250 nan 0.000 0.467 233 I N 3.095 123.575 120.570 -0.151 0.000 2.354 233 I HA 0.103 4.273 4.170 -0.000 0.000 0.286 233 I C -0.426 175.517 176.117 -0.290 0.000 1.007 233 I CA -0.618 60.488 61.300 -0.323 0.000 1.167 233 I CB 1.356 39.010 38.000 -0.577 0.000 1.320 233 I HN 0.426 nan 8.210 nan 0.000 0.458 234 D N 7.687 127.975 120.400 -0.187 0.000 2.522 234 D HA 0.221 4.861 4.640 -0.000 0.000 0.218 234 D C -0.068 176.221 176.300 -0.019 0.000 1.149 234 D CA -0.050 53.934 54.000 -0.028 0.000 0.981 234 D CB 0.297 41.135 40.800 0.063 0.000 1.041 234 D HN 0.173 nan 8.370 nan 0.000 0.518 235 F N 1.414 121.385 119.950 0.035 0.000 2.553 235 F HA 0.022 4.549 4.527 -0.000 0.000 0.356 235 F C 1.350 177.140 175.800 -0.017 0.000 1.142 235 F CA 0.063 58.059 58.000 -0.008 0.000 1.322 235 F CB 0.652 39.620 39.000 -0.054 0.000 1.126 235 F HN -0.049 nan 8.300 nan 0.000 0.599 236 K N 2.013 122.495 120.400 0.138 0.000 2.723 236 K HA 0.547 4.866 4.320 -0.000 0.000 0.229 236 K C -0.625 175.922 176.600 -0.088 0.000 1.022 236 K CA -0.214 55.995 56.287 -0.130 0.000 1.045 236 K CB 0.907 33.373 32.500 -0.057 0.000 1.227 236 K HN 0.671 nan 8.250 nan 0.000 0.516 237 G N 1.422 110.148 108.800 -0.123 0.000 3.259 237 G HA2 0.383 4.343 3.960 -0.000 0.000 0.178 237 G HA3 0.383 4.343 3.960 -0.000 0.000 0.178 237 G C -1.115 173.751 174.900 -0.056 0.000 1.129 237 G CA -0.736 44.324 45.100 -0.065 0.000 0.816 237 G HN 0.458 nan 8.290 nan 0.000 0.634 238 N N -0.376 118.319 118.700 -0.007 0.000 2.361 238 N HA 0.516 5.255 4.740 -0.000 0.000 0.302 238 N C -1.867 173.711 175.510 0.114 0.000 1.074 238 N CA -0.266 52.817 53.050 0.055 0.000 0.850 238 N CB 2.374 40.909 38.487 0.080 0.000 1.228 238 N HN 0.489 nan 8.380 nan 0.000 0.491 239 Y N 0.444 120.756 120.300 0.021 0.000 2.512 239 Y HA 0.611 5.161 4.550 -0.000 0.000 0.348 239 Y C -0.808 175.120 175.900 0.048 0.000 0.990 239 Y CA -0.517 57.593 58.100 0.017 0.000 1.033 239 Y CB 1.374 39.824 38.460 -0.016 0.000 1.259 239 Y HN 0.705 nan 8.280 nan 0.000 0.461 240 S N 2.411 117.457 115.700 -1.091 0.000 2.595 240 S HA 0.681 5.151 4.470 -0.000 0.000 0.270 240 S C -1.450 172.713 174.600 -0.729 0.000 1.145 240 S CA -0.726 57.061 58.200 -0.689 0.000 0.825 240 S CB 1.241 64.265 63.200 -0.293 0.000 1.107 240 S HN 1.039 nan 8.310 nan 0.000 0.461 241 S N -0.250 115.243 115.700 -0.346 0.000 2.566 241 S HA 0.466 4.936 4.470 -0.000 0.000 0.273 241 S C -0.929 173.618 174.600 -0.088 0.000 1.157 241 S CA -0.569 57.517 58.200 -0.190 0.000 0.938 241 S CB 1.460 64.625 63.200 -0.059 0.000 1.087 241 S HN 0.635 nan 8.310 nan 0.000 0.474 242 D N 2.882 123.238 120.400 -0.074 0.000 2.363 242 D HA 0.144 4.784 4.640 -0.000 0.000 0.226 242 D C 0.715 177.025 176.300 0.016 0.000 1.020 242 D CA 0.416 54.401 54.000 -0.025 0.000 0.892 242 D CB 0.025 40.816 40.800 -0.016 0.000 0.900 242 D HN 0.485 nan 8.370 nan 0.000 0.531 243 L N 0.940 122.166 121.223 0.006 0.000 2.464 243 L HA 0.048 4.388 4.340 -0.000 0.000 0.264 243 L C 1.085 178.066 176.870 0.184 0.000 1.199 243 L CA -0.269 54.599 54.840 0.048 0.000 0.818 243 L CB 0.411 42.398 42.059 -0.120 0.000 1.102 243 L HN -0.059 nan 8.230 nan 0.000 0.473 244 N N 1.183 120.097 118.700 0.356 0.000 2.530 244 N HA 0.034 4.774 4.740 -0.000 0.000 0.273 244 N C 0.866 176.553 175.510 0.295 0.000 1.173 244 N CA -0.011 53.209 53.050 0.283 0.000 0.967 244 N CB 1.073 39.697 38.487 0.228 0.000 1.109 244 N HN 0.445 nan 8.380 nan 0.000 0.453 245 R N 2.341 122.946 120.500 0.174 0.000 2.154 245 R HA -0.155 4.184 4.340 -0.000 0.000 0.248 245 R C 1.730 178.119 176.300 0.147 0.000 1.155 245 R CA 1.894 58.083 56.100 0.149 0.000 0.979 245 R CB -0.307 30.049 30.300 0.094 0.000 0.869 245 R HN 0.671 nan 8.270 nan 0.000 0.452 246 A N -0.369 122.509 122.820 0.096 0.000 2.225 246 A HA -0.110 4.210 4.320 -0.000 0.000 0.215 246 A C 1.513 179.149 177.584 0.087 0.000 1.164 246 A CA 0.912 52.977 52.037 0.046 0.000 0.710 246 A CB -0.527 18.432 19.000 -0.068 0.000 0.780 246 A HN 0.283 nan 8.150 nan 0.000 0.473 247 F N 0.140 120.196 119.950 0.175 0.000 2.615 247 F HA 0.061 4.588 4.527 0.000 0.000 0.297 247 F C 1.064 177.024 175.800 0.266 0.000 1.124 247 F CA 0.094 58.212 58.000 0.198 0.000 1.451 247 F CB -0.153 38.915 39.000 0.114 0.000 1.103 247 F HN 0.206 nan 8.300 nan 0.000 0.569 248 N N 0.882 119.783 118.700 0.335 0.000 2.482 248 N HA 0.009 4.749 4.740 -0.000 0.000 0.260 248 N C -0.154 175.388 175.510 0.054 0.000 1.236 248 N CA -0.008 53.158 53.050 0.194 0.000 0.938 248 N CB 0.140 38.702 38.487 0.125 0.000 1.128 248 N HN 0.049 nan 8.380 nan 0.000 0.448 249 N N 0.121 118.831 118.700 0.017 0.000 2.747 249 N HA -0.210 4.530 4.740 -0.000 0.000 0.249 249 N C -0.800 174.595 175.510 -0.192 0.000 1.107 249 N CA 0.909 53.901 53.050 -0.098 0.000 0.707 249 N CB -1.294 37.094 38.487 -0.166 0.000 1.054 249 N HN 0.600 nan 8.380 nan 0.000 0.555 250 Y N -0.719 119.606 120.300 0.042 0.000 2.445 250 Y HA 0.348 4.898 4.550 -0.000 0.000 0.247 250 Y C 1.812 177.729 175.900 0.029 0.000 1.129 250 Y CA 0.576 58.696 58.100 0.033 0.000 1.251 250 Y CB 0.646 39.131 38.460 0.043 0.000 1.176 250 Y HN 0.244 nan 8.280 nan 0.000 0.522 251 G N 1.058 109.953 108.800 0.158 0.000 2.142 251 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.225 251 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.225 251 G C -0.129 174.824 174.900 0.089 0.000 1.015 251 G CA -0.100 45.057 45.100 0.094 0.000 0.716 251 G HN 0.200 nan 8.290 nan 0.000 0.508 252 L N -0.188 121.106 121.223 0.118 0.000 2.453 252 L HA 0.422 4.762 4.340 -0.000 0.000 0.261 252 L C -1.419 175.479 176.870 0.046 0.000 1.179 252 L CA -1.927 52.965 54.840 0.086 0.000 0.813 252 L CB 0.600 42.733 42.059 0.124 0.000 1.110 252 L HN -0.091 nan 8.230 nan 0.000 0.466 253 P HA 0.300 nan 4.420 nan 0.000 0.220 253 P C -0.904 176.395 177.300 -0.002 0.000 1.806 253 P CA 0.120 63.218 63.100 -0.004 0.000 0.976 253 P CB -0.034 31.658 31.700 -0.014 0.000 1.952 254 I N 0.858 121.434 120.570 0.009 0.000 2.722 254 I HA 0.514 4.684 4.170 -0.000 0.000 0.295 254 I C -2.615 173.525 176.117 0.038 0.000 1.161 254 I CA -3.075 58.233 61.300 0.015 0.000 1.032 254 I CB 1.996 39.993 38.000 -0.006 0.000 1.244 254 I HN -0.103 nan 8.210 nan 0.000 0.421 255 P HA 0.230 nan 4.420 nan 0.000 0.271 255 P C -0.941 176.473 177.300 0.189 0.000 1.233 255 P CA -0.242 62.957 63.100 0.164 0.000 0.789 255 P CB 0.202 32.140 31.700 0.395 0.000 0.951 256 T N 1.290 115.968 114.554 0.206 0.000 2.831 256 T HA 0.292 4.642 4.350 -0.000 0.000 0.291 256 T C 0.370 175.249 174.700 0.298 0.000 0.981 256 T CA 0.056 62.281 62.100 0.210 0.000 1.174 256 T CB -0.197 68.755 68.868 0.140 0.000 0.929 256 T HN 0.455 nan 8.240 nan 0.000 0.532 257 A N 3.326 126.274 122.820 0.213 0.000 2.340 257 A HA 0.568 4.888 4.320 -0.000 0.000 0.268 257 A C 1.188 178.876 177.584 0.172 0.000 1.100 257 A CA -0.495 51.648 52.037 0.177 0.000 0.803 257 A CB 0.338 19.456 19.000 0.196 0.000 1.043 257 A HN 0.919 nan 8.150 nan 0.000 0.488 258 T N -1.585 113.042 114.554 0.121 0.000 3.399 258 T HA 0.443 4.793 4.350 -0.000 0.000 0.305 258 T C 0.980 175.718 174.700 0.064 0.000 0.983 258 T CA 0.856 63.017 62.100 0.102 0.000 0.967 258 T CB -0.433 68.499 68.868 0.106 0.000 1.186 258 T HN 2.403 nan 8.240 nan 0.000 0.504 259 G N 0.901 109.742 108.800 0.069 0.000 2.258 259 G HA2 0.097 4.057 3.960 -0.000 0.000 0.274 259 G HA3 0.097 4.057 3.960 -0.000 0.000 0.274 259 G C 1.294 176.207 174.900 0.022 0.000 1.021 259 G CA 0.620 45.753 45.100 0.055 0.000 0.798 259 G HN 1.949 nan 8.290 nan 0.000 0.507 260 G N -2.020 106.776 108.800 -0.006 0.000 2.184 260 G HA2 0.140 4.100 3.960 -0.000 0.000 0.264 260 G HA3 0.140 4.100 3.960 -0.000 0.000 0.264 260 G C 0.812 175.685 174.900 -0.045 0.000 0.975 260 G CA 1.235 46.311 45.100 -0.040 0.000 0.642 260 G HN 2.326 nan 8.290 nan 0.000 0.536 261 A N 0.467 123.277 122.820 -0.017 0.000 2.409 261 A HA 0.664 4.984 4.320 -0.000 0.000 0.262 261 A C 0.782 178.355 177.584 -0.018 0.000 1.113 261 A CA 1.037 53.069 52.037 -0.007 0.000 0.790 261 A CB 0.381 19.394 19.000 0.022 0.000 1.046 261 A HN 0.681 nan 8.150 nan 0.000 0.496 262 T N 2.256 116.796 114.554 -0.024 0.000 2.910 262 T HA 0.493 4.843 4.350 -0.000 0.000 0.293 262 T C 0.010 174.730 174.700 0.035 0.000 1.015 262 T CA -0.039 62.050 62.100 -0.020 0.000 1.094 262 T CB 0.699 69.547 68.868 -0.034 0.000 0.968 262 T HN 0.769 nan 8.240 nan 0.000 0.521 263 Q N 1.245 121.091 119.800 0.077 0.000 2.353 263 Q HA 0.397 4.737 4.340 -0.000 0.000 0.275 263 Q C -1.225 174.836 176.000 0.101 0.000 1.029 263 Q CA -0.688 55.177 55.803 0.105 0.000 0.848 263 Q CB 1.554 30.385 28.738 0.154 0.000 1.390 263 Q HN 0.569 nan 8.270 nan 0.000 0.401 264 S N 1.048 116.782 115.700 0.057 0.000 2.552 264 S HA 0.482 4.952 4.470 -0.000 0.000 0.289 264 S C -0.019 174.559 174.600 -0.037 0.000 1.304 264 S CA 0.527 58.714 58.200 -0.021 0.000 1.063 264 S CB 0.592 63.777 63.200 -0.025 0.000 0.848 264 S HN 0.639 nan 8.310 nan 0.000 0.499 265 G N 1.493 110.189 108.800 -0.173 0.000 2.620 265 G HA2 0.621 4.581 3.960 -0.000 0.000 0.301 265 G HA3 0.621 4.581 3.960 -0.000 0.000 0.301 265 G C -1.942 172.762 174.900 -0.328 0.000 1.347 265 G CA -0.592 44.436 45.100 -0.120 0.000 0.971 265 G HN 0.555 nan 8.290 nan 0.000 0.488 266 Y N 0.037 120.370 120.300 0.055 0.000 2.393 266 Y HA 0.753 5.303 4.550 -0.000 0.000 0.341 266 Y C 0.001 175.949 175.900 0.079 0.000 0.988 266 Y CA -0.873 57.273 58.100 0.077 0.000 1.078 266 Y CB 2.673 41.172 38.460 0.064 0.000 1.203 266 Y HN 0.538 nan 8.280 nan 0.000 0.453 267 L N 1.912 123.284 121.223 0.249 0.000 2.526 267 L HA 0.605 4.945 4.340 -0.000 0.000 0.263 267 L C -1.275 175.753 176.870 0.263 0.000 0.943 267 L CA -0.225 54.742 54.840 0.212 0.000 0.859 267 L CB 2.199 44.342 42.059 0.139 0.000 1.313 267 L HN 0.607 nan 8.230 nan 0.000 0.406 268 T N 5.077 119.749 114.554 0.198 0.000 2.771 268 T HA 0.522 4.872 4.350 -0.000 0.000 0.281 268 T C -0.865 173.945 174.700 0.183 0.000 0.982 268 T CA -0.223 61.974 62.100 0.162 0.000 0.978 268 T CB 1.280 70.213 68.868 0.108 0.000 0.930 268 T HN 0.387 nan 8.240 nan 0.000 0.447 269 L N 4.548 125.879 121.223 0.180 0.000 2.287 269 L HA 0.468 4.808 4.340 -0.000 0.000 0.287 269 L C -0.460 176.467 176.870 0.095 0.000 1.022 269 L CA -0.420 54.544 54.840 0.206 0.000 0.814 269 L CB 0.587 42.818 42.059 0.285 0.000 1.217 269 L HN 0.548 nan 8.230 nan 0.000 0.420 270 N N 6.301 125.088 118.700 0.146 0.000 2.420 270 N HA 0.362 5.102 4.740 -0.000 0.000 0.249 270 N C -1.097 174.305 175.510 -0.179 0.000 1.033 270 N CA -0.478 52.583 53.050 0.018 0.000 0.944 270 N CB 0.867 39.405 38.487 0.085 0.000 1.113 270 N HN 0.526 nan 8.380 nan 0.000 0.502 271 L N 4.389 125.408 121.223 -0.340 0.000 2.261 271 L HA 0.370 4.709 4.340 -0.000 0.000 0.289 271 L C -2.142 174.345 176.870 -0.639 0.000 1.059 271 L CA -1.976 52.413 54.840 -0.752 0.000 0.816 271 L CB 0.457 42.103 42.059 -0.688 0.000 1.191 271 L HN 0.221 nan 8.230 nan 0.000 0.431 272 P HA -0.043 nan 4.420 nan 0.000 0.265 272 P C -0.522 176.511 177.300 -0.445 0.000 1.187 272 P CA -0.154 62.568 63.100 -0.631 0.000 0.766 272 P CB 0.384 31.432 31.700 -1.086 0.000 0.820 273 E N 3.220 123.212 120.200 -0.346 0.000 2.392 273 E HA 0.383 4.733 4.350 -0.000 0.000 0.259 273 E C -0.366 176.008 176.600 -0.377 0.000 1.108 273 E CA -0.632 55.517 56.400 -0.417 0.000 0.916 273 E CB 0.754 30.275 29.700 -0.299 0.000 0.989 273 E HN 0.348 nan 8.360 nan 0.000 0.432 274 M N 2.231 121.518 119.600 -0.522 0.000 2.378 274 M HA 0.362 4.841 4.480 -0.000 0.000 0.289 274 M C -2.276 173.841 176.300 -0.304 0.000 1.136 274 M CA -0.595 54.526 55.300 -0.297 0.000 0.917 274 M CB 1.609 34.044 32.600 -0.275 0.000 1.669 274 M HN 0.705 nan 8.290 nan 0.000 0.461 275 W N 2.534 123.846 121.300 0.020 0.000 2.606 275 W HA 0.636 5.295 4.660 -0.001 0.000 0.332 275 W C -0.563 175.994 176.519 0.065 0.000 1.052 275 W CA -0.091 57.309 57.345 0.091 0.000 1.223 275 W CB 1.474 31.017 29.460 0.138 0.000 1.383 275 W HN 0.545 nan 8.180 nan 0.000 0.524 276 E N 1.586 121.988 120.200 0.337 0.000 2.335 276 E HA 0.491 4.841 4.350 -0.000 0.000 0.280 276 E C -1.616 175.122 176.600 0.231 0.000 0.918 276 E CA -0.755 55.782 56.400 0.228 0.000 0.765 276 E CB 2.130 31.902 29.700 0.119 0.000 1.218 276 E HN 0.315 nan 8.360 nan 0.000 0.425 277 V N 0.737 120.781 119.914 0.217 0.000 2.680 277 V HA 0.943 5.062 4.120 -0.000 0.000 0.309 277 V C -0.486 175.731 176.094 0.205 0.000 1.052 277 V CA -0.344 62.085 62.300 0.214 0.000 0.908 277 V CB 1.367 33.319 31.823 0.215 0.000 1.001 277 V HN 0.695 nan 8.190 nan 0.000 0.431 278 S N 1.971 117.778 115.700 0.180 0.000 2.596 278 S HA 0.969 5.439 4.470 -0.000 0.000 0.270 278 S C -0.369 174.222 174.600 -0.014 0.000 1.155 278 S CA -0.139 58.121 58.200 0.100 0.000 0.827 278 S CB 1.627 64.854 63.200 0.046 0.000 1.130 278 S HN 2.034 nan 8.310 nan 0.000 0.467 279 G N -0.004 108.571 108.800 -0.374 0.000 2.667 279 G HA2 0.623 4.583 3.960 -0.000 0.000 0.298 279 G HA3 0.623 4.583 3.960 -0.000 0.000 0.298 279 G C -2.322 172.110 174.900 -0.781 0.000 1.377 279 G CA -0.704 43.940 45.100 -0.760 0.000 0.964 279 G HN 0.955 nan 8.290 nan 0.000 0.493 280 Y N 1.849 121.746 120.300 -0.672 0.000 2.346 280 Y HA 0.566 5.116 4.550 -0.000 0.000 0.332 280 Y C -1.029 174.721 175.900 -0.250 0.000 0.985 280 Y CA -1.218 56.672 58.100 -0.350 0.000 1.112 280 Y CB 1.800 40.129 38.460 -0.220 0.000 1.170 280 Y HN 0.401 nan 8.280 nan 0.000 0.447 281 N N 5.946 124.276 118.700 -0.617 0.000 2.531 281 N HA 0.211 4.950 4.740 -0.000 0.000 0.268 281 N C -0.863 174.388 175.510 -0.430 0.000 1.023 281 N CA -0.607 52.223 53.050 -0.367 0.000 0.896 281 N CB 1.742 40.184 38.487 -0.075 0.000 1.233 281 N HN 0.607 nan 8.380 nan 0.000 0.512 282 R N 3.007 123.295 120.500 -0.354 0.000 4.496 282 R HA 0.119 4.459 4.340 -0.000 0.000 0.211 282 R C 0.666 176.961 176.300 -0.009 0.000 1.738 282 R CA -0.106 55.908 56.100 -0.144 0.000 1.528 282 R CB -0.575 29.727 30.300 0.004 0.000 1.414 282 R HN 0.334 nan 8.270 nan 0.000 0.812 283 V N 0.080 119.996 119.914 0.003 0.000 2.636 283 V HA -0.241 3.879 4.120 -0.000 0.000 0.258 283 V C 0.844 176.976 176.094 0.064 0.000 1.092 283 V CA 1.981 64.301 62.300 0.034 0.000 1.110 283 V CB -0.586 31.254 31.823 0.027 0.000 0.685 283 V HN 0.562 nan 8.190 nan 0.000 0.481 284 D N -3.219 117.254 120.400 0.121 0.000 2.655 284 D HA 0.321 4.961 4.640 -0.000 0.000 0.229 284 D C -2.267 174.135 176.300 0.169 0.000 1.229 284 D CA -1.567 52.520 54.000 0.146 0.000 0.807 284 D CB 2.165 43.084 40.800 0.198 0.000 1.514 284 D HN -0.245 nan 8.370 nan 0.000 0.444 285 P HA -0.201 nan 4.420 nan 0.000 0.217 285 P C 0.636 178.022 177.300 0.143 0.000 1.158 285 P CA 1.617 64.767 63.100 0.084 0.000 0.887 285 P CB 0.167 31.908 31.700 0.069 0.000 0.792 286 Q N -3.623 116.334 119.800 0.261 0.000 2.408 286 Q HA -0.009 4.331 4.340 -0.000 0.000 0.205 286 Q C -0.192 175.904 176.000 0.161 0.000 0.919 286 Q CA 0.358 56.342 55.803 0.302 0.000 0.932 286 Q CB 0.158 29.115 28.738 0.365 0.000 1.058 286 Q HN 0.327 nan 8.270 nan 0.000 0.517 287 W N -0.001 121.438 121.300 0.232 0.000 2.739 287 W HA 0.636 5.296 4.660 -0.001 0.000 0.331 287 W C -0.789 175.804 176.519 0.124 0.000 1.049 287 W CA -0.601 56.829 57.345 0.142 0.000 1.234 287 W CB 1.480 30.926 29.460 -0.024 0.000 1.404 287 W HN -0.216 nan 8.180 nan 0.000 0.477 288 A N 3.997 126.999 122.820 0.304 0.000 2.435 288 A HA 0.875 5.195 4.320 -0.000 0.000 0.304 288 A C -1.793 175.804 177.584 0.021 0.000 1.064 288 A CA -0.828 51.261 52.037 0.085 0.000 0.727 288 A CB 1.579 20.662 19.000 0.140 0.000 1.284 288 A HN 0.755 nan 8.150 nan 0.000 0.415 289 I N 2.503 122.993 120.570 -0.134 0.000 2.545 289 I HA 0.586 4.756 4.170 -0.000 0.000 0.292 289 I C -1.171 174.825 176.117 -0.201 0.000 1.040 289 I CA -0.583 60.622 61.300 -0.159 0.000 1.068 289 I CB 1.469 39.461 38.000 -0.014 0.000 1.251 289 I HN 0.916 nan 8.210 nan 0.000 0.424 290 H N 5.386 124.442 119.070 -0.024 0.000 2.851 290 H HA 0.583 5.139 4.556 -0.000 0.000 0.372 290 H C -1.951 173.349 175.328 -0.047 0.000 1.158 290 H CA -0.672 55.276 56.048 -0.166 0.000 1.159 290 H CB 1.691 31.450 29.762 -0.007 0.000 1.757 290 H HN 0.606 nan 8.280 nan 0.000 0.546 291 Y N -0.432 119.962 120.300 0.158 0.000 2.689 291 Y HA 0.627 5.177 4.550 -0.000 0.000 0.333 291 Y C -1.172 174.815 175.900 0.145 0.000 1.208 291 Y CA -0.905 57.271 58.100 0.127 0.000 1.055 291 Y CB 1.263 39.772 38.460 0.081 0.000 1.304 291 Y HN 1.003 nan 8.280 nan 0.000 0.455 292 S N 0.996 116.914 115.700 0.364 0.000 2.595 292 S HA 0.706 5.176 4.470 -0.000 0.000 0.270 292 S C -2.501 172.263 174.600 0.272 0.000 1.145 292 S CA -0.764 57.608 58.200 0.288 0.000 0.825 292 S CB 1.965 65.279 63.200 0.189 0.000 1.107 292 S HN 1.324 nan 8.310 nan 0.000 0.461 293 L N 1.412 122.790 121.223 0.258 0.000 2.404 293 L HA 0.917 5.257 4.340 -0.000 0.000 0.272 293 L C -0.447 176.572 176.870 0.249 0.000 0.980 293 L CA -0.355 54.646 54.840 0.269 0.000 0.836 293 L CB 1.097 43.326 42.059 0.283 0.000 1.238 293 L HN 1.274 nan 8.230 nan 0.000 0.408 294 A N 4.330 127.290 122.820 0.234 0.000 2.340 294 A HA 0.735 5.055 4.320 -0.000 0.000 0.331 294 A C -1.946 175.754 177.584 0.193 0.000 1.140 294 A CA -0.454 51.699 52.037 0.194 0.000 0.801 294 A CB 1.029 20.097 19.000 0.114 0.000 1.234 294 A HN 0.738 nan 8.150 nan 0.000 0.469 295 Y N 0.857 121.164 120.300 0.013 0.000 2.329 295 Y HA 0.520 5.070 4.550 -0.000 0.000 0.328 295 Y C -0.409 175.485 175.900 -0.010 0.000 0.992 295 Y CA -0.072 57.956 58.100 -0.120 0.000 1.151 295 Y CB 2.031 40.366 38.460 -0.209 0.000 1.150 295 Y HN 0.605 nan 8.280 nan 0.000 0.450 296 T N 4.130 118.526 114.554 -0.262 0.000 2.779 296 T HA 0.189 4.539 4.350 -0.000 0.000 0.280 296 T C -0.060 174.445 174.700 -0.325 0.000 0.987 296 T CA -0.709 61.247 62.100 -0.240 0.000 0.966 296 T CB 1.069 69.781 68.868 -0.260 0.000 0.933 296 T HN 0.615 nan 8.240 nan 0.000 0.442 297 S N 2.788 118.376 115.700 -0.185 0.000 3.864 297 S HA 0.020 4.490 4.470 -0.000 0.000 0.202 297 S C 0.879 175.442 174.600 -0.062 0.000 1.402 297 S CA -0.505 57.661 58.200 -0.057 0.000 1.072 297 S CB -0.572 62.684 63.200 0.092 0.000 1.383 297 S HN 0.757 nan 8.310 nan 0.000 0.458 298 W N 1.744 123.030 121.300 -0.023 0.000 2.480 298 W HA -0.177 4.483 4.660 0.001 0.000 0.257 298 W C 2.362 178.980 176.519 0.164 0.000 1.235 298 W CA 0.832 58.225 57.345 0.079 0.000 1.218 298 W CB -0.401 29.149 29.460 0.149 0.000 1.131 298 W HN 0.588 nan 8.180 nan 0.000 0.606 299 S N -0.723 115.155 115.700 0.297 0.000 2.507 299 S HA -0.190 4.280 4.470 -0.000 0.000 0.235 299 S C 1.381 176.090 174.600 0.183 0.000 0.988 299 S CA 0.880 59.225 58.200 0.242 0.000 0.944 299 S CB -0.365 62.949 63.200 0.189 0.000 0.762 299 S HN 0.475 nan 8.310 nan 0.000 0.526 300 Q N -0.230 119.661 119.800 0.152 0.000 2.472 300 Q HA 0.222 4.562 4.340 -0.000 0.000 0.208 300 Q C -0.453 175.642 176.000 0.158 0.000 0.958 300 Q CA 0.255 56.118 55.803 0.102 0.000 0.932 300 Q CB -0.001 28.748 28.738 0.019 0.000 1.007 300 Q HN 0.646 nan 8.270 nan 0.000 0.508 301 F N 1.288 121.252 119.950 0.023 0.000 2.291 301 F HA 0.229 4.755 4.527 -0.001 0.000 0.368 301 F C 0.599 176.338 175.800 -0.102 0.000 1.085 301 F CA -0.481 57.495 58.000 -0.039 0.000 1.165 301 F CB 0.742 39.739 39.000 -0.004 0.000 1.429 301 F HN -0.174 nan 8.300 nan 0.000 0.503 302 Q N 2.995 122.624 119.800 -0.285 0.000 2.297 302 Q HA 0.087 4.427 4.340 -0.000 0.000 0.203 302 Q C -0.060 175.638 176.000 -0.503 0.000 0.931 302 Q CA 0.770 56.390 55.803 -0.305 0.000 0.885 302 Q CB 0.485 29.173 28.738 -0.084 0.000 0.991 302 Q HN 0.833 nan 8.270 nan 0.000 0.498 303 Q N -1.480 117.981 119.800 -0.564 0.000 2.804 303 Q HA 0.516 4.855 4.340 -0.000 0.000 0.302 303 Q C -1.556 174.234 176.000 -0.350 0.000 0.885 303 Q CA -0.641 54.890 55.803 -0.453 0.000 0.759 303 Q CB 0.705 29.344 28.738 -0.165 0.000 1.465 303 Q HN -0.014 nan 8.270 nan 0.000 0.432 304 L N 1.061 122.183 121.223 -0.168 0.000 2.372 304 L HA 0.620 4.960 4.340 -0.000 0.000 0.273 304 L C -1.035 175.881 176.870 0.076 0.000 0.989 304 L CA -0.261 54.590 54.840 0.018 0.000 0.841 304 L CB 1.861 43.990 42.059 0.116 0.000 1.225 304 L HN 0.583 nan 8.230 nan 0.000 0.414 305 K N 3.025 123.477 120.400 0.088 0.000 2.545 305 K HA 0.793 5.113 4.320 -0.000 0.000 0.252 305 K C -1.194 175.473 176.600 0.112 0.000 0.948 305 K CA -0.472 55.867 56.287 0.088 0.000 0.827 305 K CB 1.851 34.372 32.500 0.034 0.000 1.128 305 K HN 0.582 nan 8.250 nan 0.000 0.429 306 A N 2.934 125.832 122.820 0.129 0.000 2.292 306 A HA 0.582 4.902 4.320 -0.000 0.000 0.319 306 A C -0.649 176.953 177.584 0.029 0.000 1.206 306 A CA -0.344 51.737 52.037 0.074 0.000 0.835 306 A CB 1.180 20.192 19.000 0.020 0.000 1.164 306 A HN 0.639 nan 8.150 nan 0.000 0.505 307 T N 1.521 116.128 114.554 0.088 0.000 2.887 307 T HA 0.587 4.937 4.350 -0.000 0.000 0.288 307 T C 0.601 175.404 174.700 0.171 0.000 1.021 307 T CA -0.146 62.010 62.100 0.093 0.000 1.000 307 T CB 1.509 70.438 68.868 0.102 0.000 1.034 307 T HN 1.004 nan 8.240 nan 0.000 0.467 308 S N 0.542 116.309 115.700 0.111 0.000 2.661 308 S HA 0.223 4.693 4.470 -0.000 0.000 0.265 308 S C 1.629 176.357 174.600 0.214 0.000 1.225 308 S CA 0.049 58.340 58.200 0.151 0.000 0.986 308 S CB 0.341 63.590 63.200 0.081 0.000 1.008 308 S HN 0.861 nan 8.310 nan 0.000 0.565 309 T N -1.869 112.816 114.554 0.219 0.000 3.163 309 T HA 0.065 4.415 4.350 -0.000 0.000 0.260 309 T C 1.103 175.848 174.700 0.075 0.000 1.156 309 T CA 0.769 62.981 62.100 0.187 0.000 1.072 309 T CB -0.666 68.314 68.868 0.186 0.000 0.937 309 T HN 0.437 nan 8.240 nan 0.000 0.528 310 S N -0.042 115.696 115.700 0.063 0.000 2.523 310 S HA 0.496 4.966 4.470 -0.000 0.000 0.217 310 S C 1.774 176.383 174.600 0.015 0.000 0.996 310 S CA 0.049 58.268 58.200 0.032 0.000 0.921 310 S CB 0.265 63.485 63.200 0.034 0.000 0.829 310 S HN 0.886 nan 8.310 nan 0.000 0.495 311 G N 2.142 110.952 108.800 0.017 0.000 2.176 311 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.253 311 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.253 311 G C -0.490 174.415 174.900 0.009 0.000 0.979 311 G CA -0.110 44.991 45.100 0.002 0.000 0.641 311 G HN 0.464 nan 8.290 nan 0.000 0.530 312 D N 1.270 121.678 120.400 0.014 0.000 2.382 312 D HA 0.399 5.039 4.640 -0.000 0.000 0.245 312 D C 0.510 176.804 176.300 -0.010 0.000 1.120 312 D CA 0.572 54.574 54.000 0.003 0.000 0.890 312 D CB 0.918 41.721 40.800 0.007 0.000 1.201 312 D HN 0.068 nan 8.370 nan 0.000 0.433 313 T N 2.670 117.211 114.554 -0.022 0.000 2.727 313 T HA 0.152 4.502 4.350 -0.000 0.000 0.295 313 T C 1.638 176.290 174.700 -0.079 0.000 0.915 313 T CA -0.276 61.801 62.100 -0.040 0.000 1.066 313 T CB 0.319 69.165 68.868 -0.037 0.000 0.891 313 T HN 0.179 nan 8.240 nan 0.000 0.516 314 L N 2.682 123.812 121.223 -0.154 0.000 2.307 314 L HA 0.406 4.745 4.340 -0.000 0.000 0.211 314 L C 0.281 176.990 176.870 -0.269 0.000 1.099 314 L CA 0.521 55.150 54.840 -0.352 0.000 0.816 314 L CB 0.190 41.786 42.059 -0.770 0.000 0.952 314 L HN 0.530 nan 8.230 nan 0.000 0.455 315 F N 0.028 119.800 119.950 -0.296 0.000 2.639 315 F HA 0.419 4.946 4.527 -0.000 0.000 0.320 315 F C -0.974 174.775 175.800 -0.084 0.000 1.128 315 F CA -0.612 57.297 58.000 -0.151 0.000 1.037 315 F CB 1.202 40.128 39.000 -0.123 0.000 1.288 315 F HN -0.211 nan 8.300 nan 0.000 0.463 316 Q N 5.593 125.035 119.800 -0.596 0.000 2.340 316 Q HA 0.481 4.821 4.340 -0.000 0.000 0.276 316 Q C -2.131 173.585 176.000 -0.473 0.000 1.048 316 Q CA -0.982 54.611 55.803 -0.350 0.000 0.832 316 Q CB 2.202 30.837 28.738 -0.172 0.000 1.373 316 Q HN 0.500 nan 8.270 nan 0.000 0.409 317 K N 2.408 122.662 120.400 -0.243 0.000 2.637 317 K HA 0.222 4.542 4.320 -0.000 0.000 0.248 317 K C -1.870 174.687 176.600 -0.070 0.000 0.971 317 K CA -0.619 55.573 56.287 -0.159 0.000 0.858 317 K CB 1.024 33.471 32.500 -0.088 0.000 1.170 317 K HN 0.874 nan 8.250 nan 0.000 0.443 318 H N 2.709 121.714 119.070 -0.109 0.000 2.803 318 H HA 0.152 4.708 4.556 -0.000 0.000 0.330 318 H C 0.504 175.784 175.328 -0.080 0.000 1.057 318 H CA 0.738 56.728 56.048 -0.097 0.000 1.458 318 H CB 0.947 30.677 29.762 -0.053 0.000 1.470 318 H HN 0.525 nan 8.280 nan 0.000 0.560 319 E N 3.116 122.903 120.200 -0.687 0.000 2.306 319 E HA 0.116 4.466 4.350 -0.000 0.000 0.201 319 E C 1.176 177.543 176.600 -0.388 0.000 0.874 319 E CA 0.709 56.818 56.400 -0.485 0.000 0.972 319 E CB -0.047 29.081 29.700 -0.954 0.000 0.957 319 E HN 0.964 nan 8.360 nan 0.000 0.492 320 G N 3.041 111.415 108.800 -0.710 0.000 2.421 320 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.300 320 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.300 320 G C 0.196 175.214 174.900 0.197 0.000 0.974 320 G CA 0.491 45.443 45.100 -0.247 0.000 1.062 320 G HN 0.153 nan 8.290 nan 0.000 0.514 321 F N -0.408 119.540 119.950 -0.003 0.000 2.480 321 F HA 0.418 4.945 4.527 0.001 0.000 0.319 321 F C 1.124 177.000 175.800 0.127 0.000 1.230 321 F CA 0.103 58.162 58.000 0.098 0.000 1.285 321 F CB 0.770 39.913 39.000 0.237 0.000 1.208 321 F HN 0.353 nan 8.300 nan 0.000 0.579 322 K N -0.360 120.218 120.400 0.297 0.000 2.443 322 K HA 0.332 4.652 4.320 -0.000 0.000 0.251 322 K C -1.751 174.974 176.600 0.207 0.000 0.972 322 K CA -0.978 55.441 56.287 0.220 0.000 0.833 322 K CB 0.865 33.456 32.500 0.151 0.000 1.317 322 K HN 0.162 nan 8.250 nan 0.000 0.441 323 D N 0.741 121.225 120.400 0.140 0.000 2.525 323 D HA 0.281 4.921 4.640 -0.000 0.000 0.235 323 D C -0.426 175.819 176.300 -0.092 0.000 1.137 323 D CA 0.596 54.561 54.000 -0.059 0.000 0.868 323 D CB 0.739 41.432 40.800 -0.179 0.000 1.180 323 D HN 0.720 nan 8.370 nan 0.000 0.465 324 A N 2.319 125.039 122.820 -0.166 0.000 2.423 324 A HA 0.636 4.956 4.320 -0.000 0.000 0.304 324 A C -1.379 176.151 177.584 -0.089 0.000 1.104 324 A CA -0.698 51.338 52.037 -0.002 0.000 0.757 324 A CB 1.062 20.108 19.000 0.076 0.000 1.313 324 A HN 0.420 nan 8.150 nan 0.000 0.423 325 Y N 0.069 120.388 120.300 0.031 0.000 2.457 325 Y HA 0.713 5.263 4.550 0.000 0.000 0.333 325 Y C 0.605 176.558 175.900 0.087 0.000 1.119 325 Y CA -0.412 57.761 58.100 0.121 0.000 1.143 325 Y CB 1.659 40.248 38.460 0.215 0.000 1.230 325 Y HN 0.720 nan 8.280 nan 0.000 0.469 326 R N 3.140 123.805 120.500 0.276 0.000 2.532 326 R HA 0.571 4.911 4.340 -0.000 0.000 0.297 326 R C -2.067 174.382 176.300 0.248 0.000 0.984 326 R CA -0.485 55.722 56.100 0.178 0.000 0.884 326 R CB 1.005 31.360 30.300 0.092 0.000 1.182 326 R HN 0.650 nan 8.270 nan 0.000 0.442 327 I N 3.069 123.800 120.570 0.268 0.000 2.465 327 I HA 0.565 4.735 4.170 -0.000 0.000 0.291 327 I C -0.587 175.676 176.117 0.244 0.000 1.014 327 I CA -0.533 60.935 61.300 0.279 0.000 1.093 327 I CB 1.709 39.899 38.000 0.317 0.000 1.267 327 I HN 0.790 nan 8.210 nan 0.000 0.431 328 A N 6.537 129.489 122.820 0.219 0.000 2.515 328 A HA 0.876 5.196 4.320 -0.000 0.000 0.298 328 A C -1.910 175.799 177.584 0.209 0.000 1.059 328 A CA -0.484 51.666 52.037 0.188 0.000 0.698 328 A CB 2.420 21.511 19.000 0.152 0.000 1.289 328 A HN 0.530 nan 8.150 nan 0.000 0.404 329 L N 0.922 122.245 121.223 0.167 0.000 2.482 329 L HA 0.896 5.236 4.340 -0.000 0.000 0.263 329 L C -0.125 176.786 176.870 0.068 0.000 0.957 329 L CA 0.567 55.499 54.840 0.153 0.000 0.836 329 L CB 2.010 44.148 42.059 0.131 0.000 1.324 329 L HN 1.420 nan 8.230 nan 0.000 0.406 330 G N 1.093 109.856 108.800 -0.062 0.000 2.682 330 G HA2 0.713 4.673 3.960 -0.000 0.000 0.290 330 G HA3 0.713 4.673 3.960 -0.000 0.000 0.290 330 G C -1.406 173.148 174.900 -0.577 0.000 1.425 330 G CA 0.037 45.024 45.100 -0.188 0.000 0.807 330 G HN 0.856 nan 8.290 nan 0.000 0.482 331 T N -2.766 111.617 114.554 -0.285 0.000 2.900 331 T HA 0.767 5.117 4.350 -0.000 0.000 0.303 331 T C -0.874 173.879 174.700 0.088 0.000 1.142 331 T CA -0.656 61.358 62.100 -0.143 0.000 1.007 331 T CB 2.141 71.081 68.868 0.120 0.000 1.156 331 T HN 0.552 nan 8.240 nan 0.000 0.490 332 T N 2.359 116.978 114.554 0.107 0.000 2.861 332 T HA 0.483 4.832 4.350 -0.000 0.000 0.287 332 T C -1.915 172.563 174.700 -0.371 0.000 1.003 332 T CA -0.483 61.569 62.100 -0.081 0.000 0.977 332 T CB 0.992 69.769 68.868 -0.152 0.000 0.996 332 T HN 0.608 nan 8.240 nan 0.000 0.448 333 Y N 3.456 123.364 120.300 -0.652 0.000 2.434 333 Y HA 0.397 4.947 4.550 -0.000 0.000 0.341 333 Y C -1.158 174.421 175.900 -0.537 0.000 0.965 333 Y CA -2.176 55.362 58.100 -0.938 0.000 1.205 333 Y CB 0.097 38.074 38.460 -0.806 0.000 1.121 333 Y HN 0.628 nan 8.280 nan 0.000 0.507 334 Y N 7.446 127.773 120.300 0.046 0.000 2.714 334 Y HA 0.039 4.589 4.550 0.000 0.000 0.333 334 Y C 0.915 176.862 175.900 0.078 0.000 1.220 334 Y CA -0.194 57.919 58.100 0.023 0.000 1.513 334 Y CB -0.111 38.355 38.460 0.009 0.000 1.435 334 Y HN 0.710 nan 8.280 nan 0.000 0.489 335 Y N 2.320 122.551 120.300 -0.114 0.000 2.060 335 Y HA -0.185 4.365 4.550 0.000 0.000 0.276 335 Y C 0.647 176.559 175.900 0.021 0.000 1.127 335 Y CA 1.837 59.824 58.100 -0.188 0.000 1.104 335 Y CB 0.150 38.467 38.460 -0.239 0.000 0.983 335 Y HN 0.598 nan 8.280 nan 0.000 0.483 336 D N -3.184 117.207 120.400 -0.016 0.000 2.759 336 D HA 0.141 4.780 4.640 -0.000 0.000 0.321 336 D C -0.055 176.227 176.300 -0.029 0.000 1.267 336 D CA -0.126 53.815 54.000 -0.100 0.000 0.933 336 D CB 0.105 40.787 40.800 -0.197 0.000 1.431 336 D HN 0.018 nan 8.370 nan 0.000 0.504 337 D N -0.944 119.420 120.400 -0.060 0.000 2.271 337 D HA -0.116 4.524 4.640 -0.000 0.000 0.207 337 D C 0.958 177.149 176.300 -0.182 0.000 0.983 337 D CA 1.123 55.067 54.000 -0.094 0.000 0.878 337 D CB 0.009 40.762 40.800 -0.079 0.000 0.920 337 D HN 0.240 nan 8.370 nan 0.000 0.479 338 N N -0.898 117.686 118.700 -0.193 0.000 2.511 338 N HA 0.032 4.772 4.740 -0.000 0.000 0.190 338 N C -0.095 175.036 175.510 -0.631 0.000 1.037 338 N CA 0.359 53.085 53.050 -0.539 0.000 0.895 338 N CB 0.008 38.190 38.487 -0.509 0.000 1.149 338 N HN 0.162 nan 8.380 nan 0.000 0.437 339 W N 1.586 122.743 121.300 -0.239 0.000 2.438 339 W HA 0.455 5.115 4.660 -0.000 0.000 0.324 339 W C -0.289 175.955 176.519 -0.459 0.000 1.119 339 W CA -0.167 56.966 57.345 -0.353 0.000 1.221 339 W CB 1.068 30.379 29.460 -0.249 0.000 1.253 339 W HN -0.312 nan 8.180 nan 0.000 0.555 340 T N 3.380 117.642 114.554 -0.486 0.000 2.928 340 T HA 0.508 4.858 4.350 -0.000 0.000 0.296 340 T C -1.176 173.087 174.700 -0.728 0.000 1.000 340 T CA -0.677 61.131 62.100 -0.486 0.000 0.989 340 T CB 0.566 69.249 68.868 -0.309 0.000 1.005 340 T HN 0.016 nan 8.240 nan 0.000 0.442 341 F N 2.472 122.322 119.950 -0.168 0.000 2.507 341 F HA 0.781 5.308 4.527 0.000 0.000 0.327 341 F C 0.774 176.500 175.800 -0.123 0.000 1.068 341 F CA -1.142 56.788 58.000 -0.117 0.000 0.965 341 F CB 1.658 40.587 39.000 -0.117 0.000 1.192 341 F HN 0.434 nan 8.300 nan 0.000 0.476 342 R N -0.187 120.381 120.500 0.115 0.000 2.668 342 R HA 0.869 5.209 4.340 -0.000 0.000 0.272 342 R C -1.790 174.567 176.300 0.096 0.000 1.019 342 R CA -0.869 55.272 56.100 0.068 0.000 0.894 342 R CB 1.997 32.290 30.300 -0.011 0.000 1.228 342 R HN 0.605 nan 8.270 nan 0.000 0.460 343 T N -0.178 114.439 114.554 0.105 0.000 2.865 343 T HA 0.860 5.210 4.350 -0.000 0.000 0.294 343 T C -0.699 174.049 174.700 0.079 0.000 1.119 343 T CA -0.651 61.503 62.100 0.090 0.000 1.007 343 T CB 2.139 71.070 68.868 0.104 0.000 1.225 343 T HN 0.909 nan 8.240 nan 0.000 0.515 344 G N 0.230 109.063 108.800 0.054 0.000 2.616 344 G HA2 0.618 4.578 3.960 -0.000 0.000 0.294 344 G HA3 0.618 4.578 3.960 -0.000 0.000 0.294 344 G C -2.041 172.870 174.900 0.019 0.000 1.489 344 G CA -0.652 44.473 45.100 0.042 0.000 0.836 344 G HN 0.752 nan 8.290 nan 0.000 0.527 345 I N 0.519 121.101 120.570 0.021 0.000 2.608 345 I HA 0.763 4.933 4.170 -0.000 0.000 0.295 345 I C 0.100 176.219 176.117 0.004 0.000 1.049 345 I CA -0.975 60.302 61.300 -0.039 0.000 1.063 345 I CB 2.279 40.299 38.000 0.034 0.000 1.248 345 I HN 0.834 nan 8.210 nan 0.000 0.424 346 A N 5.083 127.872 122.820 -0.052 0.000 2.572 346 A HA 0.827 5.146 4.320 -0.000 0.000 0.295 346 A C -1.927 175.822 177.584 0.276 0.000 1.072 346 A CA -0.399 51.715 52.037 0.129 0.000 0.691 346 A CB 1.870 20.923 19.000 0.089 0.000 1.291 346 A HN 0.569 nan 8.150 nan 0.000 0.404 347 F N 2.306 122.397 119.950 0.235 0.000 2.585 347 F HA 0.604 5.131 4.527 -0.000 0.000 0.319 347 F C -1.653 174.305 175.800 0.264 0.000 1.165 347 F CA -0.916 57.263 58.000 0.298 0.000 0.949 347 F CB 1.891 41.073 39.000 0.302 0.000 1.218 347 F HN 0.615 nan 8.300 nan 0.000 0.453 348 D N 4.292 124.308 120.400 -0.639 0.000 2.502 348 D HA 0.218 4.858 4.640 -0.000 0.000 0.249 348 D C -1.018 174.816 176.300 -0.777 0.000 1.092 348 D CA -0.562 53.156 54.000 -0.470 0.000 0.839 348 D CB 1.736 42.482 40.800 -0.089 0.000 1.264 348 D HN 0.463 nan 8.370 nan 0.000 0.511 349 D N 0.800 120.909 120.400 -0.485 0.000 2.372 349 D HA 0.103 4.743 4.640 -0.000 0.000 0.243 349 D C -0.404 175.809 176.300 -0.146 0.000 1.121 349 D CA -0.047 53.821 54.000 -0.220 0.000 0.898 349 D CB 1.313 42.181 40.800 0.114 0.000 1.202 349 D HN 0.300 nan 8.370 nan 0.000 0.428 350 S N 2.414 118.037 115.700 -0.129 0.000 2.565 350 S HA 0.266 4.736 4.470 -0.000 0.000 0.276 350 S C -1.882 172.580 174.600 -0.230 0.000 1.326 350 S CA -1.187 56.887 58.200 -0.210 0.000 1.045 350 S CB 1.349 64.431 63.200 -0.198 0.000 0.918 350 S HN 0.309 nan 8.310 nan 0.000 0.505 351 P HA 0.166 nan 4.420 nan 0.000 0.255 351 P C -0.601 176.393 177.300 -0.510 0.000 1.248 351 P CA 0.073 62.941 63.100 -0.385 0.000 0.807 351 P CB 0.084 31.414 31.700 -0.617 0.000 1.150 352 V N 2.375 121.905 119.914 -0.639 0.000 2.348 352 V HA 0.274 4.394 4.120 -0.000 0.000 0.270 352 V C -2.219 173.737 176.094 -0.230 0.000 1.037 352 V CA -1.952 59.991 62.300 -0.596 0.000 0.872 352 V CB 0.664 32.084 31.823 -0.671 0.000 1.002 352 V HN -0.035 nan 8.190 nan 0.000 0.464 353 P HA 0.210 nan 4.420 nan 0.000 0.271 353 P C 0.890 178.188 177.300 -0.003 0.000 1.216 353 P CA -0.031 63.060 63.100 -0.015 0.000 0.776 353 P CB 1.038 32.763 31.700 0.043 0.000 0.881 354 A N 3.676 126.502 122.820 0.010 0.000 1.896 354 A HA -0.288 4.032 4.320 -0.000 0.000 0.220 354 A C 1.852 179.463 177.584 0.046 0.000 1.206 354 A CA 2.060 54.112 52.037 0.024 0.000 0.647 354 A CB -1.423 17.595 19.000 0.031 0.000 0.828 354 A HN 0.714 nan 8.150 nan 0.000 0.455 355 Q N -0.234 119.602 119.800 0.058 0.000 2.561 355 Q HA -0.092 4.248 4.340 -0.000 0.000 0.217 355 Q C 0.602 176.663 176.000 0.101 0.000 0.980 355 Q CA 1.769 57.618 55.803 0.076 0.000 0.927 355 Q CB -0.760 28.022 28.738 0.073 0.000 0.980 355 Q HN 0.865 nan 8.270 nan 0.000 0.525 356 N N -0.183 118.576 118.700 0.097 0.000 2.171 356 N HA 0.139 4.878 4.740 -0.000 0.000 0.212 356 N C -0.404 175.174 175.510 0.113 0.000 1.184 356 N CA -0.442 52.686 53.050 0.130 0.000 0.888 356 N CB 0.727 39.305 38.487 0.152 0.000 1.038 356 N HN 0.092 nan 8.380 nan 0.000 0.517 357 R N 1.221 121.764 120.500 0.071 0.000 2.756 357 R HA 0.133 4.473 4.340 -0.000 0.000 0.264 357 R C -0.034 176.320 176.300 0.090 0.000 1.026 357 R CA 0.471 56.604 56.100 0.055 0.000 1.121 357 R CB 0.558 30.881 30.300 0.038 0.000 0.999 357 R HN 0.077 nan 8.270 nan 0.000 0.449 358 S N 0.386 116.130 115.700 0.074 0.000 2.537 358 S HA 0.222 4.692 4.470 -0.000 0.000 0.270 358 S C 0.734 175.334 174.600 0.000 0.000 1.142 358 S CA -1.048 57.188 58.200 0.060 0.000 0.870 358 S CB 0.979 64.241 63.200 0.103 0.000 1.112 358 S HN 0.735 nan 8.310 nan 0.000 0.466 359 I N -0.706 119.793 120.570 -0.118 0.000 2.916 359 I HA 0.054 4.224 4.170 -0.000 0.000 0.267 359 I C 1.907 178.079 176.117 0.093 0.000 1.263 359 I CA 1.020 62.247 61.300 -0.121 0.000 1.471 359 I CB -0.413 37.310 38.000 -0.463 0.000 1.089 359 I HN 0.576 nan 8.210 nan 0.000 0.468 360 S N 1.404 117.155 115.700 0.085 0.000 2.402 360 S HA 0.156 4.626 4.470 -0.000 0.000 0.229 360 S C 1.120 175.787 174.600 0.111 0.000 1.021 360 S CA 0.767 59.052 58.200 0.142 0.000 0.974 360 S CB -0.228 63.046 63.200 0.122 0.000 0.800 360 S HN 0.510 nan 8.310 nan 0.000 0.484 361 I N 2.036 122.670 120.570 0.107 0.000 2.750 361 I HA 0.285 4.455 4.170 -0.000 0.000 0.279 361 I C -2.805 173.338 176.117 0.043 0.000 1.206 361 I CA -2.043 59.320 61.300 0.105 0.000 1.101 361 I CB 1.594 39.728 38.000 0.223 0.000 1.431 361 I HN -0.099 nan 8.210 nan 0.000 0.551 362 P HA 0.068 nan 4.420 nan 0.000 0.252 362 P C -0.544 176.723 177.300 -0.054 0.000 1.635 362 P CA 0.410 63.493 63.100 -0.028 0.000 1.206 362 P CB 0.006 31.677 31.700 -0.048 0.000 1.911 363 D N 1.671 122.027 120.400 -0.073 0.000 2.442 363 D HA 0.529 5.169 4.640 -0.000 0.000 0.254 363 D C -0.449 175.779 176.300 -0.120 0.000 1.069 363 D CA -0.064 53.866 54.000 -0.117 0.000 1.017 363 D CB 1.123 41.811 40.800 -0.188 0.000 1.172 363 D HN 0.144 nan 8.370 nan 0.000 0.561 364 Q N 0.349 120.069 119.800 -0.134 0.000 3.011 364 Q HA 0.172 4.512 4.340 -0.000 0.000 0.299 364 Q C -1.738 174.201 176.000 -0.102 0.000 0.891 364 Q CA -0.777 54.963 55.803 -0.105 0.000 0.792 364 Q CB -0.084 28.598 28.738 -0.093 0.000 1.601 364 Q HN 0.357 nan 8.270 nan 0.000 0.462 365 D N 1.257 121.634 120.400 -0.038 0.000 2.455 365 D HA 0.304 4.944 4.640 -0.000 0.000 0.241 365 D C -0.326 175.963 176.300 -0.018 0.000 1.138 365 D CA 0.353 54.351 54.000 -0.004 0.000 0.877 365 D CB 0.660 41.613 40.800 0.256 0.000 1.187 365 D HN 0.257 nan 8.370 nan 0.000 0.451 366 R N 0.878 121.301 120.500 -0.127 0.000 2.803 366 R HA 0.547 4.887 4.340 -0.000 0.000 0.276 366 R C -0.817 175.513 176.300 0.050 0.000 0.978 366 R CA -0.832 55.181 56.100 -0.144 0.000 0.939 366 R CB 1.666 31.788 30.300 -0.298 0.000 1.179 366 R HN 0.307 nan 8.270 nan 0.000 0.472 367 F N 1.464 121.309 119.950 -0.175 0.000 2.507 367 F HA 0.542 5.070 4.527 0.002 0.000 0.325 367 F C -1.560 174.083 175.800 -0.263 0.000 1.116 367 F CA -1.085 56.934 58.000 0.031 0.000 0.930 367 F CB 1.028 40.096 39.000 0.113 0.000 1.146 367 F HN 0.450 nan 8.300 nan 0.000 0.447 368 W N 7.231 128.170 121.300 -0.601 0.000 2.666 368 W HA 0.668 5.329 4.660 0.002 0.000 0.334 368 W C -1.543 174.597 176.519 -0.631 0.000 1.051 368 W CA -0.953 56.106 57.345 -0.477 0.000 1.224 368 W CB 1.795 31.102 29.460 -0.256 0.000 1.405 368 W HN 0.417 nan 8.180 nan 0.000 0.513 369 L N 3.017 124.178 121.223 -0.103 0.000 2.406 369 L HA 0.740 5.080 4.340 -0.000 0.000 0.272 369 L C -0.663 176.249 176.870 0.070 0.000 0.980 369 L CA -0.332 54.487 54.840 -0.035 0.000 0.831 369 L CB 1.449 43.560 42.059 0.086 0.000 1.253 369 L HN 0.320 nan 8.230 nan 0.000 0.406 370 S N 2.920 118.652 115.700 0.054 0.000 2.599 370 S HA 1.027 5.497 4.470 -0.000 0.000 0.287 370 S C -1.023 173.617 174.600 0.066 0.000 1.105 370 S CA -0.323 57.912 58.200 0.058 0.000 0.899 370 S CB 1.937 65.125 63.200 -0.019 0.000 1.100 370 S HN 0.982 nan 8.310 nan 0.000 0.482 371 A N 0.433 123.299 122.820 0.076 0.000 2.574 371 A HA 0.949 5.268 4.320 -0.000 0.000 0.297 371 A C -0.412 177.214 177.584 0.070 0.000 1.062 371 A CA -0.405 51.686 52.037 0.089 0.000 0.686 371 A CB 1.603 20.677 19.000 0.123 0.000 1.285 371 A HN 1.240 nan 8.150 nan 0.000 0.403 372 G N -0.752 108.089 108.800 0.069 0.000 2.660 372 G HA2 0.722 4.682 3.960 -0.000 0.000 0.290 372 G HA3 0.722 4.682 3.960 -0.000 0.000 0.290 372 G C -1.156 173.777 174.900 0.055 0.000 1.432 372 G CA 0.222 45.341 45.100 0.031 0.000 0.807 372 G HN 1.196 nan 8.290 nan 0.000 0.485 373 T N -0.867 113.687 114.554 0.000 0.000 2.900 373 T HA 0.743 5.093 4.350 -0.000 0.000 0.303 373 T C -1.174 173.430 174.700 -0.159 0.000 1.142 373 T CA -0.255 61.806 62.100 -0.067 0.000 1.007 373 T CB 2.001 70.936 68.868 0.112 0.000 1.156 373 T HN 0.573 nan 8.240 nan 0.000 0.490 374 T N 3.270 117.663 114.554 -0.267 0.000 2.879 374 T HA 0.456 4.805 4.350 -0.000 0.000 0.290 374 T C -1.845 172.612 174.700 -0.406 0.000 0.993 374 T CA -0.365 61.556 62.100 -0.300 0.000 0.975 374 T CB 0.802 69.501 68.868 -0.281 0.000 0.981 374 T HN 0.517 nan 8.240 nan 0.000 0.439 375 Y N 3.022 122.955 120.300 -0.612 0.000 2.342 375 Y HA 0.617 5.167 4.550 -0.000 0.000 0.338 375 Y C -0.153 175.262 175.900 -0.808 0.000 0.965 375 Y CA -1.050 56.525 58.100 -0.875 0.000 1.159 375 Y CB 0.696 38.514 38.460 -1.069 0.000 1.157 375 Y HN 0.749 nan 8.280 nan 0.000 0.486 376 A N 6.729 128.822 122.820 -1.212 0.000 2.302 376 A HA 0.289 4.609 4.320 -0.000 0.000 0.295 376 A C -0.020 177.056 177.584 -0.846 0.000 1.235 376 A CA -0.381 51.179 52.037 -0.794 0.000 0.876 376 A CB -0.369 18.328 19.000 -0.506 0.000 1.133 376 A HN 1.009 nan 8.150 nan 0.000 0.533 377 F N 1.440 121.260 119.950 -0.218 0.000 2.163 377 F HA -0.049 4.478 4.527 -0.000 0.000 0.297 377 F C 1.272 177.041 175.800 -0.052 0.000 1.094 377 F CA 1.502 59.500 58.000 -0.004 0.000 1.290 377 F CB 0.164 39.237 39.000 0.122 0.000 1.017 377 F HN 0.743 nan 8.300 nan 0.000 0.483 378 N N -2.082 116.686 118.700 0.113 0.000 2.542 378 N HA 0.074 4.814 4.740 -0.000 0.000 0.253 378 N C -0.354 175.154 175.510 -0.004 0.000 1.461 378 N CA -0.488 52.590 53.050 0.048 0.000 1.115 378 N CB -0.689 37.854 38.487 0.093 0.000 1.439 378 N HN 0.053 nan 8.380 nan 0.000 0.533 379 K N -1.368 119.000 120.400 -0.054 0.000 3.274 379 K HA -0.275 4.045 4.320 -0.000 0.000 0.305 379 K C -0.653 175.906 176.600 -0.068 0.000 1.225 379 K CA 1.917 58.163 56.287 -0.068 0.000 0.904 379 K CB -1.141 31.323 32.500 -0.061 0.000 1.227 379 K HN 0.464 nan 8.250 nan 0.000 0.453 380 D N -1.524 118.846 120.400 -0.050 0.000 2.335 380 D HA 0.241 4.881 4.640 -0.000 0.000 0.284 380 D C -0.522 175.726 176.300 -0.087 0.000 1.096 380 D CA 0.569 54.487 54.000 -0.135 0.000 0.844 380 D CB 1.097 41.808 40.800 -0.149 0.000 1.454 380 D HN 0.316 nan 8.370 nan 0.000 0.526 381 A N 0.569 123.462 122.820 0.123 0.000 2.437 381 A HA 0.708 5.028 4.320 -0.000 0.000 0.293 381 A C -0.636 177.147 177.584 0.331 0.000 1.038 381 A CA -0.473 51.762 52.037 0.331 0.000 0.708 381 A CB 1.315 20.622 19.000 0.512 0.000 1.251 381 A HN 0.038 nan 8.150 nan 0.000 0.409 382 S N 0.275 116.105 115.700 0.217 0.000 2.685 382 S HA 0.856 5.326 4.470 -0.000 0.000 0.282 382 S C -1.239 173.336 174.600 -0.042 0.000 1.159 382 S CA -0.603 57.541 58.200 -0.094 0.000 0.833 382 S CB 1.486 64.566 63.200 -0.200 0.000 1.151 382 S HN 2.012 nan 8.310 nan 0.000 0.485 383 V N 0.861 120.594 119.914 -0.301 0.000 2.709 383 V HA 0.606 4.726 4.120 -0.000 0.000 0.308 383 V C -1.955 173.915 176.094 -0.373 0.000 1.062 383 V CA -0.567 61.498 62.300 -0.392 0.000 0.901 383 V CB 1.911 33.461 31.823 -0.455 0.000 1.003 383 V HN 1.019 nan 8.190 nan 0.000 0.425 384 D N 4.620 124.794 120.400 -0.376 0.000 2.256 384 D HA 0.608 5.248 4.640 -0.000 0.000 0.246 384 D C -0.846 175.283 176.300 -0.285 0.000 1.042 384 D CA -0.039 53.785 54.000 -0.294 0.000 0.841 384 D CB 2.257 42.897 40.800 -0.266 0.000 1.223 384 D HN 0.380 nan 8.370 nan 0.000 0.470 385 V N 0.936 120.731 119.914 -0.198 0.000 2.531 385 V HA 0.794 4.914 4.120 -0.000 0.000 0.301 385 V C 0.413 176.441 176.094 -0.110 0.000 1.034 385 V CA -0.708 61.508 62.300 -0.140 0.000 0.865 385 V CB 2.031 33.860 31.823 0.010 0.000 0.995 385 V HN 0.657 nan 8.190 nan 0.000 0.424 386 G N 2.720 111.424 108.800 -0.160 0.000 2.620 386 G HA2 0.733 4.693 3.960 -0.000 0.000 0.301 386 G HA3 0.733 4.693 3.960 -0.000 0.000 0.301 386 G C -1.749 173.158 174.900 0.013 0.000 1.347 386 G CA -0.617 44.425 45.100 -0.097 0.000 0.971 386 G HN 0.578 nan 8.290 nan 0.000 0.488 387 V N 0.251 120.229 119.914 0.107 0.000 2.760 387 V HA 0.798 4.918 4.120 -0.000 0.000 0.309 387 V C -0.303 175.925 176.094 0.223 0.000 1.077 387 V CA -0.774 61.677 62.300 0.251 0.000 0.910 387 V CB 1.871 33.903 31.823 0.349 0.000 1.008 387 V HN 0.852 nan 8.190 nan 0.000 0.424 388 S N 2.710 118.576 115.700 0.276 0.000 2.540 388 S HA 0.737 5.207 4.470 -0.000 0.000 0.275 388 S C -2.006 172.681 174.600 0.144 0.000 1.123 388 S CA -0.434 57.897 58.200 0.219 0.000 0.907 388 S CB 1.516 64.847 63.200 0.218 0.000 1.081 388 S HN 0.748 nan 8.310 nan 0.000 0.476 389 Y N 5.056 125.223 120.300 -0.222 0.000 2.341 389 Y HA 0.690 5.239 4.550 -0.001 0.000 0.338 389 Y C -0.715 174.902 175.900 -0.472 0.000 0.965 389 Y CA -1.041 56.633 58.100 -0.709 0.000 1.108 389 Y CB 1.329 39.125 38.460 -1.107 0.000 1.180 389 Y HN 0.750 nan 8.280 nan 0.000 0.458 390 M N 6.615 125.452 119.600 -1.272 0.000 2.311 390 M HA 0.448 4.927 4.480 -0.000 0.000 0.325 390 M C -2.137 173.381 176.300 -1.303 0.000 1.061 390 M CA -0.156 54.268 55.300 -1.460 0.000 0.957 390 M CB 1.513 32.827 32.600 -2.143 0.000 1.646 390 M HN 0.714 nan 8.290 nan 0.000 0.434 391 H N 2.260 120.751 119.070 -0.965 0.000 2.658 391 H HA 0.740 5.296 4.556 -0.001 0.000 0.337 391 H C -1.440 173.705 175.328 -0.305 0.000 1.009 391 H CA -0.395 55.324 56.048 -0.548 0.000 1.231 391 H CB 1.457 31.069 29.762 -0.250 0.000 1.508 391 H HN 1.072 nan 8.280 nan 0.000 0.517 392 G N 3.292 111.696 108.800 -0.660 0.000 2.454 392 G HA2 0.236 4.196 3.960 -0.000 0.000 0.329 392 G HA3 0.236 4.196 3.960 -0.000 0.000 0.329 392 G C -0.868 173.797 174.900 -0.391 0.000 1.177 392 G CA -0.761 44.114 45.100 -0.375 0.000 0.951 392 G HN 0.690 nan 8.290 nan 0.000 0.485 393 Q N 0.473 120.199 119.800 -0.123 0.000 2.340 393 Q HA 0.305 4.645 4.340 -0.000 0.000 0.249 393 Q C -0.075 175.885 176.000 -0.067 0.000 0.957 393 Q CA -0.288 55.488 55.803 -0.045 0.000 0.882 393 Q CB 0.555 29.313 28.738 0.032 0.000 1.235 393 Q HN 0.379 nan 8.270 nan 0.000 0.439 394 S N 2.021 117.700 115.700 -0.035 0.000 2.564 394 S HA 0.361 4.831 4.470 -0.000 0.000 0.278 394 S C -0.305 174.296 174.600 0.002 0.000 1.333 394 S CA -0.602 57.586 58.200 -0.019 0.000 1.048 394 S CB 0.860 64.064 63.200 0.006 0.000 0.900 394 S HN 0.516 nan 8.310 nan 0.000 0.505 395 V N 0.707 120.626 119.914 0.009 0.000 3.102 395 V HA 0.672 4.792 4.120 -0.000 0.000 0.312 395 V C -0.674 175.449 176.094 0.049 0.000 1.135 395 V CA -1.205 61.109 62.300 0.023 0.000 1.022 395 V CB 1.805 33.633 31.823 0.009 0.000 1.056 395 V HN 0.708 nan 8.190 nan 0.000 0.436 396 K N 1.204 121.638 120.400 0.057 0.000 2.130 396 K HA 0.791 5.111 4.320 -0.000 0.000 0.268 396 K C -1.404 175.258 176.600 0.103 0.000 0.983 396 K CA -0.731 55.606 56.287 0.084 0.000 0.893 396 K CB 1.459 33.999 32.500 0.068 0.000 1.066 396 K HN 0.756 nan 8.250 nan 0.000 0.450 397 I N 3.123 123.791 120.570 0.164 0.000 2.534 397 I HA 0.240 4.410 4.170 -0.000 0.000 0.288 397 I C -0.918 175.363 176.117 0.273 0.000 1.077 397 I CA -0.910 60.510 61.300 0.200 0.000 1.051 397 I CB 1.969 40.093 38.000 0.207 0.000 1.234 397 I HN 0.458 nan 8.210 nan 0.000 0.425 398 N N 5.936 124.758 118.700 0.204 0.000 2.479 398 N HA 0.363 5.103 4.740 -0.000 0.000 0.261 398 N C -1.163 174.471 175.510 0.207 0.000 0.979 398 N CA -0.356 52.805 53.050 0.186 0.000 0.930 398 N CB 2.444 40.992 38.487 0.102 0.000 1.172 398 N HN 0.638 nan 8.380 nan 0.000 0.499 399 E N 1.240 121.619 120.200 0.298 0.000 2.290 399 E HA 0.489 4.839 4.350 -0.000 0.000 0.274 399 E C 0.362 177.125 176.600 0.272 0.000 0.889 399 E CA -0.602 55.967 56.400 0.282 0.000 0.760 399 E CB 1.452 31.351 29.700 0.332 0.000 1.206 399 E HN 0.631 nan 8.360 nan 0.000 0.419 400 G N 4.950 113.831 108.800 0.135 0.000 2.566 400 G HA2 -0.262 3.697 3.960 -0.000 0.000 0.280 400 G HA3 -0.262 3.697 3.960 -0.000 0.000 0.280 400 G C -1.526 173.304 174.900 -0.117 0.000 1.225 400 G CA 0.097 45.214 45.100 0.028 0.000 0.966 400 G HN 0.600 nan 8.290 nan 0.000 0.560 401 P HA 0.251 nan 4.420 nan 0.000 0.257 401 P C -0.335 176.677 177.300 -0.481 0.000 1.281 401 P CA 0.417 63.252 63.100 -0.442 0.000 0.826 401 P CB -0.035 31.344 31.700 -0.536 0.000 1.237 402 Y N -0.067 120.161 120.300 -0.121 0.000 2.453 402 Y HA 0.508 5.058 4.550 -0.001 0.000 0.326 402 Y C 0.961 176.632 175.900 -0.382 0.000 1.186 402 Y CA -0.889 56.999 58.100 -0.353 0.000 1.200 402 Y CB 1.374 39.451 38.460 -0.637 0.000 1.247 402 Y HN -0.233 nan 8.280 nan 0.000 0.482 403 Q N 2.213 121.797 119.800 -0.360 0.000 2.310 403 Q HA 0.477 4.817 4.340 -0.000 0.000 0.270 403 Q C -1.739 174.072 176.000 -0.314 0.000 1.025 403 Q CA -0.531 55.152 55.803 -0.201 0.000 0.772 403 Q CB 1.956 30.646 28.738 -0.080 0.000 1.253 403 Q HN 0.558 nan 8.270 nan 0.000 0.450 404 F N 0.162 120.165 119.950 0.090 0.000 2.654 404 F HA 0.570 5.096 4.527 -0.001 0.000 0.334 404 F C 0.064 175.905 175.800 0.069 0.000 1.078 404 F CA -0.967 57.083 58.000 0.084 0.000 0.986 404 F CB 1.803 40.862 39.000 0.099 0.000 1.362 404 F HN 0.351 nan 8.300 nan 0.000 0.498 405 E N 0.220 120.598 120.200 0.298 0.000 2.308 405 E HA 0.565 4.915 4.350 -0.000 0.000 0.275 405 E C -1.619 175.066 176.600 0.142 0.000 0.890 405 E CA -0.589 55.912 56.400 0.168 0.000 0.754 405 E CB 2.037 31.809 29.700 0.119 0.000 1.207 405 E HN 0.655 nan 8.360 nan 0.000 0.426 406 S N 2.515 118.266 115.700 0.085 0.000 2.568 406 S HA 0.710 5.180 4.470 -0.000 0.000 0.293 406 S C -0.876 173.727 174.600 0.004 0.000 1.089 406 S CA -0.901 57.324 58.200 0.042 0.000 0.945 406 S CB 1.814 65.025 63.200 0.017 0.000 1.077 406 S HN 0.542 nan 8.310 nan 0.000 0.485 407 E N 0.044 120.232 120.200 -0.020 0.000 2.356 407 E HA 0.718 5.068 4.350 -0.000 0.000 0.275 407 E C -0.707 175.839 176.600 -0.091 0.000 0.904 407 E CA -1.496 54.869 56.400 -0.058 0.000 0.757 407 E CB 1.723 31.406 29.700 -0.029 0.000 1.232 407 E HN 0.979 nan 8.360 nan 0.000 0.442 408 G N 1.658 110.363 108.800 -0.158 0.000 2.759 408 G HA2 0.562 4.522 3.960 -0.000 0.000 0.297 408 G HA3 0.562 4.522 3.960 -0.000 0.000 0.297 408 G C -1.553 173.185 174.900 -0.270 0.000 1.434 408 G CA -0.907 44.089 45.100 -0.174 0.000 0.980 408 G HN 0.685 nan 8.290 nan 0.000 0.531 409 K N -0.499 119.766 120.400 -0.225 0.000 2.548 409 K HA 0.911 5.231 4.320 -0.000 0.000 0.282 409 K C -1.020 175.434 176.600 -0.244 0.000 1.006 409 K CA -1.051 55.040 56.287 -0.327 0.000 0.892 409 K CB 2.191 34.564 32.500 -0.211 0.000 1.499 409 K HN 1.558 nan 8.250 nan 0.000 0.433 410 A N 0.172 122.766 122.820 -0.376 0.000 2.612 410 A HA 0.654 4.973 4.320 -0.000 0.000 0.293 410 A C -2.404 175.060 177.584 -0.200 0.000 1.075 410 A CA -0.880 51.058 52.037 -0.165 0.000 0.680 410 A CB 0.910 19.837 19.000 -0.123 0.000 1.279 410 A HN 0.628 nan 8.150 nan 0.000 0.411 411 W N 0.756 122.132 121.300 0.127 0.000 2.632 411 W HA 0.693 5.352 4.660 -0.002 0.000 0.328 411 W C -0.637 176.007 176.519 0.208 0.000 1.044 411 W CA -0.332 57.146 57.345 0.222 0.000 1.225 411 W CB 1.919 31.524 29.460 0.241 0.000 1.396 411 W HN 0.532 nan 8.180 nan 0.000 0.499 412 L N 4.448 125.955 121.223 0.472 0.000 2.381 412 L HA 0.521 4.861 4.340 -0.000 0.000 0.274 412 L C -1.104 176.020 176.870 0.423 0.000 0.988 412 L CA -1.022 54.040 54.840 0.369 0.000 0.824 412 L CB 1.380 43.593 42.059 0.257 0.000 1.263 412 L HN 0.279 nan 8.230 nan 0.000 0.410 413 F N 2.143 122.276 119.950 0.306 0.000 2.467 413 F HA 0.839 5.365 4.527 -0.001 0.000 0.336 413 F C -0.046 175.853 175.800 0.166 0.000 1.123 413 F CA -0.513 57.632 58.000 0.242 0.000 0.964 413 F CB 1.947 41.103 39.000 0.259 0.000 1.136 413 F HN 0.367 nan 8.300 nan 0.000 0.447 414 G N 3.161 111.411 108.800 -0.917 0.000 2.638 414 G HA2 0.578 4.538 3.960 -0.000 0.000 0.302 414 G HA3 0.578 4.538 3.960 -0.000 0.000 0.302 414 G C -1.738 172.634 174.900 -0.881 0.000 1.365 414 G CA -0.801 43.803 45.100 -0.827 0.000 0.987 414 G HN 0.688 nan 8.290 nan 0.000 0.495 415 T N 1.731 115.906 114.554 -0.632 0.000 2.876 415 T HA 0.590 4.940 4.350 -0.000 0.000 0.289 415 T C -0.570 173.961 174.700 -0.282 0.000 1.014 415 T CA -0.748 61.114 62.100 -0.397 0.000 0.986 415 T CB 1.713 70.469 68.868 -0.188 0.000 1.021 415 T HN 0.460 nan 8.240 nan 0.000 0.458 416 N N 1.040 119.531 118.700 -0.350 0.000 2.277 416 N HA 0.514 5.253 4.740 -0.000 0.000 0.286 416 N C -1.812 173.483 175.510 -0.358 0.000 1.140 416 N CA -0.453 52.455 53.050 -0.237 0.000 0.799 416 N CB 2.295 40.660 38.487 -0.203 0.000 1.596 416 N HN 0.384 nan 8.380 nan 0.000 0.473 417 F N 1.084 121.047 119.950 0.022 0.000 2.467 417 F HA 0.411 4.938 4.527 0.000 0.000 0.336 417 F C -0.139 175.715 175.800 0.089 0.000 1.123 417 F CA -0.699 57.360 58.000 0.098 0.000 0.964 417 F CB 1.413 40.513 39.000 0.166 0.000 1.136 417 F HN 0.266 nan 8.300 nan 0.000 0.447 418 N N 2.358 121.213 118.700 0.259 0.000 2.362 418 N HA 0.466 5.206 4.740 -0.000 0.000 0.298 418 N C -1.858 173.850 175.510 0.331 0.000 1.048 418 N CA -0.765 52.405 53.050 0.201 0.000 0.858 418 N CB 1.756 40.280 38.487 0.061 0.000 1.218 418 N HN 0.510 nan 8.380 nan 0.000 0.488 419 Y N 1.014 121.422 120.300 0.180 0.000 2.396 419 Y HA 0.671 5.220 4.550 -0.000 0.000 0.332 419 Y C -1.443 174.431 175.900 -0.044 0.000 1.034 419 Y CA -1.041 57.090 58.100 0.052 0.000 1.057 419 Y CB 1.222 39.687 38.460 0.009 0.000 1.220 419 Y HN 0.682 nan 8.280 nan 0.000 0.440 420 A N 5.424 127.762 122.820 -0.803 0.000 2.355 420 A HA 0.819 5.139 4.320 -0.000 0.000 0.324 420 A C -1.637 175.407 177.584 -0.900 0.000 1.117 420 A CA -0.444 51.270 52.037 -0.538 0.000 0.785 420 A CB 0.629 19.489 19.000 -0.233 0.000 1.254 420 A HN 0.643 nan 8.150 nan 0.000 0.453 421 F N 0.000 119.823 119.950 -0.212 0.000 2.286 421 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 421 F CA 0.000 57.939 58.000 -0.102 0.000 1.383 421 F CB 0.000 39.035 39.000 0.059 0.000 1.145 421 F HN 0.000 nan 8.300 nan 0.000 0.574