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 2vq6_1_A DATA FIRST_RESID 4 DATA SEQUENCE SELLVNTKSG KVMGTRVPVL SSHISAFLGI PFAEPPVGNM RFRRPEPKKP DATA SEQUENCE WSGVWNASTY PNNcQQYVDE QFPGFSGSEM WNPNREMSED cLYLNIWVPS DATA SEQUENCE PRPKSTTVMV WIYGGGFYSG SSTLDVYNGK YLAYTEEVVL VSLSYRVGAF DATA SEQUENCE GFLALHGSQE APGNVGLLDQ RMALQWVHDN IQFFGGDPKT VTIFGESAGG DATA SEQUENCE ASVGMHILSP GSRDLFRRAI LQSGSPNCPW ASVSVAEGRR RAVELGRNLN DATA SEQUENCE cNLNSDEELI HcLREKKPQE LIDVEWNVLP FDSIFRFSFV PVIDGEFFPT DATA SEQUENCE SLESMLNSGN FKKTQILLGV NKDEGSFFLL YGAPGFSKDS ESKISREDFM DATA SEQUENCE SGVKLSVPHA NDLGLDAVTL QYTDWMDDNN GIKNRDGLDD IVGDHNVIcP DATA SEQUENCE LMHFVNKYTK FGNGTYLYFF NHRASNLVWP EWMGVIHGYE IEFVFGLPLV DATA SEQUENCE KELNYTAEEE ALSRRIMHYW ATFAKTGNPN EPHXXXSKWP LFTTKEQKFI DATA SEQUENCE DLNTEPMKVH QRLRVQMcVF WNQFLPKLLN AT 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 4 S HA 0.000 nan 4.470 nan 0.000 0.327 4 S C 0.000 174.643 174.600 0.071 0.000 1.055 4 S CA 0.000 58.227 58.200 0.045 0.000 1.107 4 S CB 0.000 63.223 63.200 0.039 0.000 0.593 5 E N 0.497 120.743 120.200 0.077 0.000 2.209 5 E HA -0.109 4.240 4.350 -0.001 0.000 0.196 5 E C 0.798 177.517 176.600 0.198 0.000 0.993 5 E CA 1.015 57.487 56.400 0.119 0.000 0.819 5 E CB 0.025 29.788 29.700 0.106 0.000 0.745 5 E HN 0.392 nan 8.360 nan 0.000 0.477 6 L N 0.549 121.866 121.223 0.156 0.000 2.628 6 L HA 0.236 4.576 4.340 -0.001 0.000 0.229 6 L C 0.201 177.248 176.870 0.296 0.000 1.137 6 L CA 0.419 55.364 54.840 0.175 0.000 0.909 6 L CB 0.298 42.363 42.059 0.009 0.000 1.137 6 L HN 0.044 nan 8.230 nan 0.000 0.470 7 L N 0.167 121.535 121.223 0.241 0.000 2.356 7 L HA 0.597 4.936 4.340 -0.001 0.000 0.277 7 L C -1.365 175.583 176.870 0.129 0.000 0.996 7 L CA -0.444 54.519 54.840 0.205 0.000 0.822 7 L CB 2.023 44.152 42.059 0.116 0.000 1.256 7 L HN -0.314 nan 8.230 nan 0.000 0.413 8 V N 3.651 123.621 119.914 0.093 0.000 2.760 8 V HA 0.418 4.537 4.120 -0.001 0.000 0.309 8 V C -0.444 175.565 176.094 -0.142 0.000 1.077 8 V CA -0.948 61.270 62.300 -0.138 0.000 0.910 8 V CB 2.193 33.726 31.823 -0.484 0.000 1.008 8 V HN 0.645 nan 8.190 nan 0.000 0.424 9 N N 2.882 121.418 118.700 -0.272 0.000 2.419 9 N HA 0.603 5.343 4.740 -0.001 0.000 0.264 9 N C -0.264 174.863 175.510 -0.638 0.000 1.031 9 N CA 0.029 52.867 53.050 -0.352 0.000 0.951 9 N CB 1.889 40.146 38.487 -0.383 0.000 1.101 9 N HN 0.983 nan 8.380 nan 0.000 0.488 10 T N -1.225 113.073 114.554 -0.426 0.000 2.903 10 T HA 0.342 4.691 4.350 -0.001 0.000 0.299 10 T C 1.000 175.492 174.700 -0.346 0.000 1.093 10 T CA -0.765 61.086 62.100 -0.414 0.000 1.002 10 T CB 1.725 70.623 68.868 0.050 0.000 1.127 10 T HN 0.314 nan 8.240 nan 0.000 0.488 11 K N 1.040 121.276 120.400 -0.273 0.000 2.259 11 K HA -0.147 4.173 4.320 -0.001 0.000 0.206 11 K C 1.852 178.315 176.600 -0.228 0.000 1.044 11 K CA 1.989 58.158 56.287 -0.197 0.000 0.931 11 K CB -0.272 32.166 32.500 -0.104 0.000 0.726 11 K HN 0.541 nan 8.250 nan 0.000 0.467 12 S N -0.688 114.866 115.700 -0.242 0.000 2.517 12 S HA 0.181 4.651 4.470 -0.001 0.000 0.214 12 S C 0.459 174.366 174.600 -1.155 0.000 0.991 12 S CA 0.239 58.148 58.200 -0.485 0.000 0.906 12 S CB 1.101 64.190 63.200 -0.184 0.000 0.789 12 S HN 0.567 nan 8.310 nan 0.000 0.513 13 G N 0.884 109.215 108.800 -0.782 0.000 2.361 13 G HA2 0.202 4.161 3.960 -0.001 0.000 0.305 13 G HA3 0.202 4.161 3.960 -0.001 0.000 0.305 13 G C -1.711 173.181 174.900 -0.014 0.000 1.367 13 G CA -1.149 43.486 45.100 -0.774 0.000 0.951 13 G HN 0.045 nan 8.290 nan 0.000 0.615 14 K N -0.593 119.939 120.400 0.220 0.000 2.276 14 K HA 0.586 4.905 4.320 -0.001 0.000 0.283 14 K C -0.411 176.525 176.600 0.560 0.000 1.044 14 K CA -0.359 56.106 56.287 0.297 0.000 0.944 14 K CB 1.713 34.330 32.500 0.196 0.000 1.012 14 K HN 0.508 nan 8.250 nan 0.000 0.472 15 V N 5.647 125.825 119.914 0.440 0.000 2.487 15 V HA 0.383 4.502 4.120 -0.001 0.000 0.298 15 V C -0.994 175.377 176.094 0.461 0.000 1.028 15 V CA -0.742 61.868 62.300 0.518 0.000 0.860 15 V CB 1.688 33.864 31.823 0.587 0.000 0.991 15 V HN 0.782 nan 8.190 nan 0.000 0.427 16 M N 5.877 125.714 119.600 0.396 0.000 2.114 16 M HA 0.538 5.017 4.480 -0.001 0.000 0.332 16 M C 0.533 176.958 176.300 0.209 0.000 1.014 16 M CA -0.219 55.268 55.300 0.311 0.000 0.956 16 M CB 1.165 33.864 32.600 0.165 0.000 1.551 16 M HN 0.825 nan 8.290 nan 0.000 0.427 17 G N 2.280 111.118 108.800 0.064 0.000 2.666 17 G HA2 0.498 4.458 3.960 -0.001 0.000 0.207 17 G HA3 0.498 4.458 3.960 -0.001 0.000 0.207 17 G C -0.722 173.960 174.900 -0.364 0.000 1.481 17 G CA -0.121 44.701 45.100 -0.462 0.000 1.071 17 G HN 0.587 nan 8.290 nan 0.000 0.572 18 T N -1.624 112.641 114.554 -0.481 0.000 2.802 18 T HA 0.536 4.885 4.350 -0.001 0.000 0.311 18 T C -1.623 172.928 174.700 -0.248 0.000 1.405 18 T CA -0.707 61.227 62.100 -0.277 0.000 1.016 18 T CB 1.595 70.338 68.868 -0.208 0.000 1.352 18 T HN 0.874 nan 8.240 nan 0.000 0.498 19 R N 1.603 122.016 120.500 -0.145 0.000 2.360 19 R HA 0.751 5.090 4.340 -0.001 0.000 0.318 19 R C -0.596 175.690 176.300 -0.023 0.000 0.950 19 R CA -0.684 55.365 56.100 -0.085 0.000 0.837 19 R CB 0.694 30.948 30.300 -0.077 0.000 1.165 19 R HN 0.497 nan 8.270 nan 0.000 0.458 20 V N 0.182 120.118 119.914 0.036 0.000 2.834 20 V HA 0.824 4.944 4.120 -0.001 0.000 0.313 20 V C -2.389 173.780 176.094 0.125 0.000 1.060 20 V CA -2.583 59.758 62.300 0.069 0.000 0.989 20 V CB 1.397 33.267 31.823 0.079 0.000 1.041 20 V HN 0.865 nan 8.190 nan 0.000 0.459 21 P HA 0.537 nan 4.420 nan 0.000 0.286 21 P C -1.069 176.173 177.300 -0.095 0.000 1.261 21 P CA -0.471 62.660 63.100 0.051 0.000 0.821 21 P CB 1.884 33.608 31.700 0.040 0.000 1.013 22 V N 5.207 124.997 119.914 -0.207 0.000 2.655 22 V HA 0.336 4.456 4.120 -0.001 0.000 0.301 22 V C 0.137 175.977 176.094 -0.424 0.000 1.082 22 V CA -0.642 61.448 62.300 -0.350 0.000 0.899 22 V CB 0.841 32.397 31.823 -0.444 0.000 1.014 22 V HN 0.402 nan 8.190 nan 0.000 0.429 23 L N 4.638 125.699 121.223 -0.270 0.000 5.891 23 L HA -0.289 4.050 4.340 -0.001 0.000 0.053 23 L C 2.262 179.008 176.870 -0.206 0.000 2.528 23 L CA 2.783 57.490 54.840 -0.222 0.000 1.612 23 L CB -2.331 39.540 42.059 -0.313 0.000 2.817 23 L HN 1.094 nan 8.230 nan 0.000 0.990 24 S N -1.583 113.995 115.700 -0.203 0.000 2.371 24 S HA 0.063 4.532 4.470 -0.001 0.000 0.221 24 S C 1.372 175.827 174.600 -0.241 0.000 1.036 24 S CA 0.971 59.077 58.200 -0.155 0.000 0.965 24 S CB 0.047 63.202 63.200 -0.074 0.000 0.845 24 S HN 0.530 nan 8.310 nan 0.000 0.475 25 S N 1.050 116.622 115.700 -0.213 0.000 2.459 25 S HA 0.264 4.733 4.470 -0.001 0.000 0.231 25 S C 0.140 174.351 174.600 -0.649 0.000 1.353 25 S CA -0.049 58.006 58.200 -0.241 0.000 0.988 25 S CB -0.213 63.118 63.200 0.217 0.000 0.860 25 S HN 0.677 nan 8.310 nan 0.000 0.494 26 H N -1.578 117.565 119.070 0.122 0.000 2.966 26 H HA 0.681 5.236 4.556 -0.001 0.000 0.330 26 H C -1.004 174.412 175.328 0.148 0.000 1.292 26 H CA -0.451 55.651 56.048 0.091 0.000 1.127 26 H CB 1.171 30.971 29.762 0.063 0.000 1.863 26 H HN 0.398 nan 8.280 nan 0.000 0.543 27 I N -0.005 120.725 120.570 0.267 0.000 3.149 27 I HA 0.193 4.363 4.170 -0.001 0.000 0.310 27 I C -0.870 175.347 176.117 0.166 0.000 1.343 27 I CA -0.244 61.194 61.300 0.230 0.000 0.955 27 I CB 2.179 40.336 38.000 0.262 0.000 1.309 27 I HN 0.662 nan 8.210 nan 0.000 0.478 28 S N 2.879 118.679 115.700 0.167 0.000 2.475 28 S HA 0.930 5.399 4.470 -0.001 0.000 0.298 28 S C -0.646 173.950 174.600 -0.007 0.000 1.119 28 S CA -0.644 57.577 58.200 0.035 0.000 1.085 28 S CB 1.682 64.913 63.200 0.052 0.000 1.028 28 S HN 0.800 nan 8.310 nan 0.000 0.489 29 A N 2.247 124.908 122.820 -0.264 0.000 2.331 29 A HA 0.780 5.100 4.320 -0.001 0.000 0.320 29 A C -1.098 176.138 177.584 -0.580 0.000 1.138 29 A CA -0.753 51.051 52.037 -0.388 0.000 0.790 29 A CB 0.295 19.097 19.000 -0.331 0.000 1.206 29 A HN 0.735 nan 8.150 nan 0.000 0.470 30 F N 2.928 122.715 119.950 -0.271 0.000 2.382 30 F HA 0.468 4.995 4.527 -0.001 0.000 0.361 30 F C -0.483 175.174 175.800 -0.239 0.000 1.109 30 F CA -0.717 57.205 58.000 -0.131 0.000 1.031 30 F CB 1.637 40.666 39.000 0.049 0.000 1.234 30 F HN 0.209 nan 8.300 nan 0.000 0.445 31 L N 2.844 124.018 121.223 -0.082 0.000 2.298 31 L HA 0.619 4.958 4.340 -0.001 0.000 0.284 31 L C 0.617 177.486 176.870 -0.001 0.000 1.013 31 L CA -0.889 53.857 54.840 -0.157 0.000 0.824 31 L CB 0.871 42.724 42.059 -0.342 0.000 1.221 31 L HN 0.813 nan 8.230 nan 0.000 0.418 32 G N 4.037 112.868 108.800 0.052 0.000 2.204 32 G HA2 -0.216 3.744 3.960 -0.001 0.000 0.244 32 G HA3 -0.216 3.744 3.960 -0.001 0.000 0.244 32 G C 0.164 175.183 174.900 0.197 0.000 1.062 32 G CA -0.368 44.790 45.100 0.097 0.000 0.798 32 G HN 0.484 nan 8.290 nan 0.000 0.496 33 I N 2.203 122.802 120.570 0.048 0.000 2.517 33 I HA 0.200 4.370 4.170 -0.001 0.000 0.285 33 I C -1.306 174.640 176.117 -0.285 0.000 1.106 33 I CA -1.788 59.357 61.300 -0.259 0.000 1.402 33 I CB 0.784 38.607 38.000 -0.295 0.000 1.399 33 I HN 0.013 nan 8.210 nan 0.000 0.535 34 P HA 0.097 nan 4.420 nan 0.000 0.278 34 P C -0.405 176.581 177.300 -0.522 0.000 1.238 34 P CA -0.066 62.588 63.100 -0.743 0.000 0.794 34 P CB 0.675 31.902 31.700 -0.788 0.000 0.955 35 F N -0.298 119.321 119.950 -0.551 0.000 2.825 35 F HA 0.782 5.308 4.527 -0.001 0.000 0.322 35 F C -0.245 175.446 175.800 -0.181 0.000 1.127 35 F CA -0.855 56.892 58.000 -0.422 0.000 1.164 35 F CB 0.116 38.828 39.000 -0.481 0.000 1.101 35 F HN 0.389 nan 8.300 nan 0.000 0.529 36 A N -0.194 122.384 122.820 -0.404 0.000 2.612 36 A HA 0.612 4.932 4.320 -0.001 0.000 0.293 36 A C -1.126 176.298 177.584 -0.267 0.000 1.075 36 A CA -0.756 51.119 52.037 -0.270 0.000 0.680 36 A CB 1.059 19.821 19.000 -0.395 0.000 1.279 36 A HN 0.036 nan 8.150 nan 0.000 0.411 37 E N 2.026 122.144 120.200 -0.136 0.000 2.360 37 E HA 0.312 4.662 4.350 -0.001 0.000 0.269 37 E C -2.275 174.235 176.600 -0.150 0.000 1.022 37 E CA -1.651 54.688 56.400 -0.103 0.000 0.887 37 E CB 0.332 30.008 29.700 -0.039 0.000 0.990 37 E HN 0.348 nan 8.360 nan 0.000 0.426 38 P HA 0.042 nan 4.420 nan 0.000 0.263 38 P C -2.368 174.871 177.300 -0.102 0.000 1.195 38 P CA -1.165 61.855 63.100 -0.133 0.000 0.762 38 P CB -0.178 31.483 31.700 -0.066 0.000 0.799 39 P HA 0.024 nan 4.420 nan 0.000 0.220 39 P C 0.256 177.493 177.300 -0.105 0.000 1.778 39 P CA -0.123 62.918 63.100 -0.099 0.000 0.912 39 P CB -0.232 31.409 31.700 -0.099 0.000 1.861 40 V N -3.257 116.604 119.914 -0.088 0.000 3.463 40 V HA 0.884 5.003 4.120 -0.001 0.000 0.302 40 V C 1.162 177.209 176.094 -0.078 0.000 1.097 40 V CA 0.196 62.444 62.300 -0.087 0.000 1.003 40 V CB 0.132 31.916 31.823 -0.065 0.000 1.229 40 V HN 0.518 nan 8.190 nan 0.000 0.444 41 G N 1.555 110.312 108.800 -0.071 0.000 2.543 41 G HA2 -0.300 3.659 3.960 -0.001 0.000 0.286 41 G HA3 -0.300 3.659 3.960 -0.001 0.000 0.286 41 G C 0.175 175.031 174.900 -0.074 0.000 1.153 41 G CA 0.738 45.805 45.100 -0.055 0.000 0.968 41 G HN 2.169 nan 8.290 nan 0.000 0.544 42 N N 0.216 118.884 118.700 -0.053 0.000 2.497 42 N HA 0.311 5.050 4.740 -0.001 0.000 0.284 42 N C 1.349 176.839 175.510 -0.033 0.000 1.459 42 N CA 0.242 53.261 53.050 -0.052 0.000 0.899 42 N CB 0.171 38.647 38.487 -0.018 0.000 1.316 42 N HN 0.569 nan 8.380 nan 0.000 0.500 43 M N -0.985 118.585 119.600 -0.050 0.000 2.659 43 M HA 0.082 4.562 4.480 -0.001 0.000 0.243 43 M C 0.847 177.090 176.300 -0.096 0.000 1.111 43 M CA 0.069 55.341 55.300 -0.048 0.000 1.070 43 M CB -0.286 32.284 32.600 -0.049 0.000 1.525 43 M HN 0.239 nan 8.290 nan 0.000 0.517 44 R N 1.067 121.455 120.500 -0.187 0.000 2.494 44 R HA -0.111 4.228 4.340 -0.001 0.000 0.291 44 R C -0.285 175.776 176.300 -0.397 0.000 0.953 44 R CA 0.722 56.561 56.100 -0.436 0.000 1.098 44 R CB 0.054 29.936 30.300 -0.698 0.000 0.911 44 R HN 0.272 nan 8.270 nan 0.000 0.407 45 F N -0.448 119.509 119.950 0.011 0.000 2.748 45 F HA -0.312 4.214 4.527 -0.001 0.000 0.370 45 F C 0.532 176.315 175.800 -0.028 0.000 0.620 45 F CA 0.872 58.854 58.000 -0.030 0.000 1.233 45 F CB -1.368 37.603 39.000 -0.049 0.000 1.708 45 F HN 0.609 nan 8.300 nan 0.000 0.298 46 R N 1.572 122.133 120.500 0.102 0.000 2.546 46 R HA 0.579 4.919 4.340 -0.001 0.000 0.266 46 R C 0.678 177.004 176.300 0.042 0.000 1.086 46 R CA -0.809 55.333 56.100 0.069 0.000 1.160 46 R CB 0.773 31.098 30.300 0.041 0.000 1.138 46 R HN 0.274 nan 8.270 nan 0.000 0.567 47 R N 1.362 121.886 120.500 0.041 0.000 2.694 47 R HA 0.221 4.560 4.340 -0.001 0.000 0.268 47 R C -2.106 174.212 176.300 0.030 0.000 1.061 47 R CA -1.413 54.710 56.100 0.038 0.000 1.133 47 R CB -0.469 29.861 30.300 0.049 0.000 1.020 47 R HN 0.326 nan 8.270 nan 0.000 0.475 48 P HA 0.075 nan 4.420 nan 0.000 0.274 48 P C -0.917 176.402 177.300 0.032 0.000 1.231 48 P CA -0.150 62.964 63.100 0.022 0.000 0.790 48 P CB 0.796 32.523 31.700 0.045 0.000 0.951 49 E N 1.623 121.831 120.200 0.013 0.000 2.235 49 E HA 0.432 4.782 4.350 -0.001 0.000 0.265 49 E C -2.339 174.284 176.600 0.040 0.000 0.940 49 E CA -2.280 54.138 56.400 0.030 0.000 0.819 49 E CB 0.877 30.588 29.700 0.019 0.000 1.206 49 E HN 0.337 nan 8.360 nan 0.000 0.409 50 P HA -0.011 nan 4.420 nan 0.000 0.270 50 P C -0.570 176.784 177.300 0.089 0.000 1.223 50 P CA -0.319 62.847 63.100 0.110 0.000 0.785 50 P CB 0.533 32.301 31.700 0.113 0.000 0.923 51 K N 1.830 122.308 120.400 0.129 0.000 2.156 51 K HA 0.169 4.488 4.320 -0.001 0.000 0.242 51 K C -0.081 176.596 176.600 0.128 0.000 1.033 51 K CA 0.159 56.515 56.287 0.116 0.000 0.878 51 K CB 0.094 32.706 32.500 0.187 0.000 1.057 51 K HN 0.276 nan 8.250 nan 0.000 0.505 52 K N 1.870 122.354 120.400 0.141 0.000 2.426 52 K HA 0.410 4.729 4.320 -0.001 0.000 0.254 52 K C -2.503 174.157 176.600 0.100 0.000 0.936 52 K CA -2.067 54.278 56.287 0.096 0.000 0.801 52 K CB 1.279 33.833 32.500 0.090 0.000 1.139 52 K HN 0.333 nan 8.250 nan 0.000 0.424 53 P HA -0.047 nan 4.420 nan 0.000 0.265 53 P C -1.207 176.046 177.300 -0.079 0.000 1.187 53 P CA 0.131 63.105 63.100 -0.211 0.000 0.766 53 P CB 0.143 31.695 31.700 -0.247 0.000 0.820 54 W N 1.399 122.763 121.300 0.106 0.000 2.436 54 W HA 0.687 5.347 4.660 -0.001 0.000 0.347 54 W C 0.005 176.596 176.519 0.120 0.000 1.136 54 W CA -0.815 56.617 57.345 0.144 0.000 1.286 54 W CB 0.062 29.678 29.460 0.260 0.000 1.253 54 W HN 0.175 nan 8.180 nan 0.000 0.617 55 S N 0.771 116.648 115.700 0.294 0.000 2.654 55 S HA 0.715 5.184 4.470 -0.001 0.000 0.283 55 S C 0.428 175.227 174.600 0.333 0.000 1.180 55 S CA 0.608 58.932 58.200 0.207 0.000 1.021 55 S CB 0.296 63.575 63.200 0.133 0.000 1.018 55 S HN 1.639 nan 8.310 nan 0.000 0.532 56 G N 0.947 109.890 108.800 0.237 0.000 2.681 56 G HA2 -0.166 3.794 3.960 -0.001 0.000 0.220 56 G HA3 -0.166 3.794 3.960 -0.001 0.000 0.220 56 G C -1.018 174.091 174.900 0.349 0.000 1.353 56 G CA -0.312 44.924 45.100 0.227 0.000 0.872 56 G HN 1.190 nan 8.290 nan 0.000 0.557 57 V N 1.189 121.257 119.914 0.256 0.000 2.350 57 V HA 0.412 4.531 4.120 -0.001 0.000 0.285 57 V C 0.402 176.611 176.094 0.192 0.000 1.014 57 V CA -0.534 61.930 62.300 0.274 0.000 0.831 57 V CB 1.521 33.443 31.823 0.165 0.000 1.000 57 V HN 0.699 nan 8.190 nan 0.000 0.433 58 W N 5.249 126.566 121.300 0.029 0.000 2.264 58 W HA 0.077 4.736 4.660 -0.001 0.000 0.331 58 W C 0.469 176.942 176.519 -0.077 0.000 1.364 58 W CA -0.014 57.194 57.345 -0.228 0.000 1.253 58 W CB 0.527 29.620 29.460 -0.612 0.000 1.215 58 W HN 0.548 nan 8.180 nan 0.000 0.561 59 N N 4.667 122.987 118.700 -0.632 0.000 2.406 59 N HA 0.132 4.871 4.740 -0.001 0.000 0.269 59 N C -0.064 175.415 175.510 -0.052 0.000 1.210 59 N CA 0.257 53.119 53.050 -0.313 0.000 0.966 59 N CB 0.658 38.921 38.487 -0.374 0.000 1.293 59 N HN 0.371 nan 8.380 nan 0.000 0.491 60 A N 2.343 125.249 122.820 0.144 0.000 3.258 60 A HA 0.209 4.528 4.320 -0.001 0.000 0.275 60 A C 1.000 178.568 177.584 -0.026 0.000 1.452 60 A CA -0.336 51.810 52.037 0.183 0.000 1.120 60 A CB -0.353 18.859 19.000 0.353 0.000 1.107 60 A HN 0.581 nan 8.150 nan 0.000 0.651 61 S N -1.745 113.902 115.700 -0.087 0.000 2.589 61 S HA 0.130 4.599 4.470 -0.001 0.000 0.235 61 S C 0.636 175.128 174.600 -0.180 0.000 1.051 61 S CA 0.428 58.537 58.200 -0.152 0.000 0.978 61 S CB -0.020 63.101 63.200 -0.132 0.000 0.929 61 S HN 0.415 nan 8.310 nan 0.000 0.523 62 T N 1.103 115.564 114.554 -0.155 0.000 2.918 62 T HA 0.584 4.934 4.350 -0.001 0.000 0.286 62 T C -0.659 173.956 174.700 -0.142 0.000 1.026 62 T CA -0.619 61.389 62.100 -0.153 0.000 1.031 62 T CB 0.758 69.572 68.868 -0.090 0.000 1.046 62 T HN 0.206 nan 8.240 nan 0.000 0.479 63 Y N 2.746 123.017 120.300 -0.048 0.000 2.702 63 Y HA 0.176 4.726 4.550 -0.001 0.000 0.336 63 Y C -1.307 174.531 175.900 -0.102 0.000 1.235 63 Y CA -1.166 56.907 58.100 -0.046 0.000 1.492 63 Y CB 0.337 38.789 38.460 -0.013 0.000 1.308 63 Y HN 0.470 nan 8.280 nan 0.000 0.589 64 P HA 0.097 nan 4.420 nan 0.000 0.289 64 P C -1.145 176.103 177.300 -0.086 0.000 1.299 64 P CA -0.502 62.494 63.100 -0.174 0.000 0.766 64 P CB 0.847 32.361 31.700 -0.310 0.000 1.226 65 N N -0.298 118.318 118.700 -0.139 0.000 2.424 65 N HA 0.124 4.863 4.740 -0.001 0.000 0.257 65 N C 0.011 175.515 175.510 -0.009 0.000 1.250 65 N CA -0.398 52.620 53.050 -0.054 0.000 0.946 65 N CB 0.115 38.576 38.487 -0.044 0.000 1.175 65 N HN 0.370 nan 8.380 nan 0.000 0.477 66 N N 0.292 118.974 118.700 -0.030 0.000 2.509 66 N HA 0.218 4.957 4.740 -0.001 0.000 0.287 66 N C -0.519 174.968 175.510 -0.037 0.000 1.121 66 N CA -0.396 52.634 53.050 -0.034 0.000 0.977 66 N CB 0.647 39.091 38.487 -0.073 0.000 1.167 66 N HN 0.437 nan 8.380 nan 0.000 0.476 67 c N 1.133 119.715 118.600 -0.030 0.000 2.689 67 c HA 0.045 4.614 4.570 -0.001 0.000 0.409 67 c C 0.872 174.904 174.090 -0.097 0.000 1.293 67 c CA -0.708 55.580 56.329 -0.069 0.000 2.136 67 c CB -0.282 42.206 42.510 -0.037 0.000 2.719 67 c HN 0.480 nan 8.230 nan 0.000 0.644 68 Q N 2.783 122.451 119.800 -0.221 0.000 2.262 68 Q HA 0.099 4.439 4.340 -0.001 0.000 0.298 68 Q C 0.078 176.091 176.000 0.022 0.000 1.083 68 Q CA 1.177 56.850 55.803 -0.216 0.000 0.962 68 Q CB -0.013 28.326 28.738 -0.665 0.000 1.104 68 Q HN 0.902 nan 8.270 nan 0.000 0.376 69 Q N 1.671 121.545 119.800 0.122 0.000 2.482 69 Q HA 0.301 4.641 4.340 -0.001 0.000 0.286 69 Q C -1.250 174.942 176.000 0.320 0.000 1.007 69 Q CA -1.036 54.925 55.803 0.263 0.000 0.801 69 Q CB 0.835 29.681 28.738 0.181 0.000 1.455 69 Q HN 0.492 nan 8.270 nan 0.000 0.398 70 Y N 1.483 121.994 120.300 0.353 0.000 2.805 70 Y HA 0.232 4.781 4.550 -0.001 0.000 0.331 70 Y C -1.010 175.080 175.900 0.316 0.000 1.241 70 Y CA 0.498 58.830 58.100 0.387 0.000 1.546 70 Y CB 0.640 39.450 38.460 0.583 0.000 1.248 70 Y HN 0.447 nan 8.280 nan 0.000 0.559 71 V N 6.551 126.262 119.914 -0.338 0.000 2.483 71 V HA 0.159 4.278 4.120 -0.001 0.000 0.295 71 V C -0.631 175.297 176.094 -0.277 0.000 1.035 71 V CA -0.910 61.302 62.300 -0.146 0.000 0.896 71 V CB 1.754 33.515 31.823 -0.104 0.000 0.986 71 V HN 0.760 nan 8.190 nan 0.000 0.447 72 D N 2.829 123.273 120.400 0.074 0.000 2.317 72 D HA 0.284 4.924 4.640 -0.001 0.000 0.234 72 D C 0.509 176.908 176.300 0.165 0.000 1.112 72 D CA -0.090 54.066 54.000 0.259 0.000 0.840 72 D CB 1.478 42.556 40.800 0.464 0.000 1.078 72 D HN 0.628 nan 8.370 nan 0.000 0.486 73 E N 2.144 122.397 120.200 0.090 0.000 2.465 73 E HA -0.074 4.276 4.350 -0.001 0.000 0.209 73 E C 1.282 177.868 176.600 -0.024 0.000 0.951 73 E CA -0.104 56.319 56.400 0.039 0.000 0.997 73 E CB 0.372 30.063 29.700 -0.015 0.000 1.025 73 E HN 0.414 nan 8.360 nan 0.000 0.500 74 Q N 0.675 120.422 119.800 -0.089 0.000 2.160 74 Q HA -0.233 4.107 4.340 -0.001 0.000 0.219 74 Q C -0.180 175.325 176.000 -0.825 0.000 1.051 74 Q CA 1.855 57.384 55.803 -0.457 0.000 0.929 74 Q CB -0.321 28.100 28.738 -0.529 0.000 1.059 74 Q HN 0.252 nan 8.270 nan 0.000 0.428 75 F N 0.549 120.558 119.950 0.099 0.000 2.371 75 F HA 0.424 4.951 4.527 -0.001 0.000 0.343 75 F C -2.104 173.768 175.800 0.119 0.000 1.150 75 F CA -2.657 55.379 58.000 0.060 0.000 1.220 75 F CB 0.957 39.944 39.000 -0.022 0.000 1.475 75 F HN -0.046 nan 8.300 nan 0.000 0.521 76 P HA 0.214 nan 4.420 nan 0.000 0.271 76 P C 1.060 178.440 177.300 0.133 0.000 1.216 76 P CA 0.711 63.882 63.100 0.118 0.000 0.776 76 P CB 1.264 32.995 31.700 0.051 0.000 0.881 77 G N 2.581 111.450 108.800 0.115 0.000 2.435 77 G HA2 -0.333 3.627 3.960 -0.001 0.000 0.245 77 G HA3 -0.333 3.627 3.960 -0.001 0.000 0.245 77 G C 0.228 175.205 174.900 0.128 0.000 1.073 77 G CA -0.168 44.987 45.100 0.091 0.000 0.638 77 G HN 0.549 nan 8.290 nan 0.000 0.521 78 F N 3.686 123.635 119.950 -0.002 0.000 2.514 78 F HA 0.312 4.838 4.527 -0.001 0.000 0.399 78 F C 1.912 177.652 175.800 -0.101 0.000 1.011 78 F CA 0.374 58.325 58.000 -0.082 0.000 1.109 78 F CB 0.505 39.455 39.000 -0.083 0.000 0.980 78 F HN 0.426 nan 8.300 nan 0.000 0.538 79 S N 3.304 118.708 115.700 -0.493 0.000 2.419 79 S HA -0.139 4.330 4.470 -0.001 0.000 0.235 79 S C 2.244 176.426 174.600 -0.696 0.000 1.019 79 S CA 0.938 58.836 58.200 -0.503 0.000 0.982 79 S CB -1.051 61.897 63.200 -0.419 0.000 0.789 79 S HN 0.778 nan 8.310 nan 0.000 0.490 80 G N 1.317 109.174 108.800 -1.571 0.000 2.448 80 G HA2 -0.118 3.842 3.960 -0.001 0.000 0.219 80 G HA3 -0.118 3.842 3.960 -0.001 0.000 0.219 80 G C 1.681 176.566 174.900 -0.025 0.000 1.127 80 G CA 1.133 45.484 45.100 -1.248 0.000 0.766 80 G HN 0.811 nan 8.290 nan 0.000 0.552 81 S N -0.549 115.186 115.700 0.058 0.000 2.499 81 S HA 0.119 4.589 4.470 -0.001 0.000 0.225 81 S C 1.824 176.709 174.600 0.474 0.000 1.050 81 S CA 0.539 59.185 58.200 0.743 0.000 0.928 81 S CB 0.060 63.872 63.200 1.020 0.000 0.803 81 S HN 0.187 nan 8.310 nan 0.000 0.506 82 E N 2.629 122.926 120.200 0.162 0.000 2.150 82 E HA -0.069 4.280 4.350 -0.001 0.000 0.193 82 E C 2.114 178.670 176.600 -0.073 0.000 0.985 82 E CA 1.309 57.745 56.400 0.061 0.000 0.814 82 E CB -0.587 29.098 29.700 -0.027 0.000 0.752 82 E HN 0.888 nan 8.360 nan 0.000 0.466 83 M N -2.133 117.318 119.600 -0.247 0.000 2.530 83 M HA -0.097 4.383 4.480 -0.001 0.000 0.261 83 M C 1.058 176.968 176.300 -0.649 0.000 1.067 83 M CA 1.415 56.394 55.300 -0.534 0.000 1.071 83 M CB -0.618 31.517 32.600 -0.776 0.000 1.405 83 M HN 0.010 nan 8.290 nan 0.000 0.478 84 W N 0.582 121.829 121.300 -0.089 0.000 3.177 84 W HA 0.327 4.987 4.660 -0.001 0.000 0.309 84 W C 0.460 176.920 176.519 -0.097 0.000 1.224 84 W CA -0.810 56.460 57.345 -0.125 0.000 1.718 84 W CB -0.177 29.238 29.460 -0.075 0.000 1.078 84 W HN 0.070 nan 8.180 nan 0.000 0.618 85 N N 1.825 120.578 118.700 0.088 0.000 2.503 85 N HA 0.147 4.886 4.740 -0.001 0.000 0.267 85 N C -2.435 173.056 175.510 -0.033 0.000 1.214 85 N CA -1.333 51.752 53.050 0.059 0.000 0.959 85 N CB 0.249 38.780 38.487 0.072 0.000 1.142 85 N HN -0.379 nan 8.380 nan 0.000 0.455 86 P HA 0.013 nan 4.420 nan 0.000 0.264 86 P C -0.089 177.160 177.300 -0.085 0.000 1.183 86 P CA 0.395 63.450 63.100 -0.075 0.000 0.763 86 P CB 0.109 31.778 31.700 -0.052 0.000 0.807 87 N N 1.085 119.712 118.700 -0.121 0.000 2.238 87 N HA 0.142 4.881 4.740 -0.001 0.000 0.235 87 N C 0.361 175.806 175.510 -0.108 0.000 1.209 87 N CA -0.644 52.334 53.050 -0.119 0.000 0.879 87 N CB 0.593 38.983 38.487 -0.162 0.000 1.136 87 N HN 0.100 nan 8.380 nan 0.000 0.517 88 R N 0.527 120.968 120.500 -0.097 0.000 2.922 88 R HA 0.321 4.661 4.340 -0.001 0.000 0.256 88 R C -0.708 175.558 176.300 -0.057 0.000 1.138 88 R CA -0.605 55.453 56.100 -0.071 0.000 0.995 88 R CB 1.224 31.478 30.300 -0.076 0.000 1.226 88 R HN 0.186 nan 8.270 nan 0.000 0.481 89 E N 1.278 121.450 120.200 -0.047 0.000 2.383 89 E HA 0.106 4.456 4.350 -0.001 0.000 0.264 89 E C -0.370 176.201 176.600 -0.048 0.000 1.050 89 E CA 0.137 56.511 56.400 -0.044 0.000 0.896 89 E CB 0.775 30.451 29.700 -0.041 0.000 0.982 89 E HN 0.239 nan 8.360 nan 0.000 0.424 90 M N 1.753 121.324 119.600 -0.048 0.000 2.318 90 M HA 0.203 4.682 4.480 -0.001 0.000 0.347 90 M C -0.175 176.081 176.300 -0.072 0.000 1.175 90 M CA -0.050 55.215 55.300 -0.059 0.000 1.075 90 M CB 1.692 34.258 32.600 -0.056 0.000 1.614 90 M HN 0.315 nan 8.290 nan 0.000 0.456 91 S N 0.962 116.607 115.700 -0.091 0.000 2.542 91 S HA 0.231 4.700 4.470 -0.001 0.000 0.276 91 S C 0.149 174.661 174.600 -0.147 0.000 1.148 91 S CA -0.704 57.436 58.200 -0.101 0.000 0.886 91 S CB 1.467 64.635 63.200 -0.054 0.000 1.109 91 S HN 0.860 nan 8.310 nan 0.000 0.458 92 E N 1.218 121.302 120.200 -0.194 0.000 2.153 92 E HA -0.135 4.215 4.350 -0.001 0.000 0.194 92 E C -0.114 176.404 176.600 -0.136 0.000 0.988 92 E CA 0.900 57.154 56.400 -0.242 0.000 0.811 92 E CB 0.007 29.562 29.700 -0.242 0.000 0.746 92 E HN 0.644 nan 8.360 nan 0.000 0.466 93 D N 0.281 120.637 120.400 -0.072 0.000 2.398 93 D HA -0.052 4.588 4.640 -0.001 0.000 0.250 93 D C -0.227 176.135 176.300 0.103 0.000 1.287 93 D CA -0.039 53.961 54.000 -0.001 0.000 0.992 93 D CB -0.174 40.652 40.800 0.044 0.000 1.071 93 D HN 0.145 nan 8.370 nan 0.000 0.514 94 c N 2.990 121.633 118.600 0.072 0.000 3.725 94 c HA 0.336 4.906 4.570 -0.001 0.000 0.294 94 c C 0.298 174.440 174.090 0.085 0.000 2.443 94 c CA -0.838 55.613 56.329 0.202 0.000 1.613 94 c CB -1.418 41.143 42.510 0.085 0.000 3.378 94 c HN 0.427 nan 8.230 nan 0.000 0.406 95 L N 2.471 123.489 121.223 -0.342 0.000 2.356 95 L HA 0.470 4.809 4.340 -0.001 0.000 0.282 95 L C -0.730 175.461 176.870 -1.132 0.000 1.132 95 L CA 0.473 54.891 54.840 -0.703 0.000 0.923 95 L CB -0.424 41.050 42.059 -0.975 0.000 1.278 95 L HN 0.374 nan 8.230 nan 0.000 0.436 96 Y N 2.714 122.958 120.300 -0.093 0.000 2.634 96 Y HA 0.726 5.275 4.550 -0.001 0.000 0.340 96 Y C -0.107 175.961 175.900 0.280 0.000 1.058 96 Y CA -1.168 56.956 58.100 0.040 0.000 1.081 96 Y CB 1.973 40.438 38.460 0.008 0.000 1.295 96 Y HN 0.268 nan 8.280 nan 0.000 0.487 97 L N -0.435 120.971 121.223 0.305 0.000 2.409 97 L HA 0.777 5.117 4.340 -0.001 0.000 0.255 97 L C -1.551 175.366 176.870 0.079 0.000 1.027 97 L CA -0.990 53.956 54.840 0.178 0.000 0.834 97 L CB 2.238 44.297 42.059 0.000 0.000 1.426 97 L HN 0.512 nan 8.230 nan 0.000 0.411 98 N N 1.724 120.469 118.700 0.075 0.000 2.238 98 N HA 0.698 5.438 4.740 -0.001 0.000 0.302 98 N C -1.357 174.073 175.510 -0.133 0.000 1.072 98 N CA -0.423 52.576 53.050 -0.085 0.000 0.792 98 N CB 2.779 41.168 38.487 -0.163 0.000 1.425 98 N HN 0.615 nan 8.380 nan 0.000 0.478 99 I N -0.374 120.028 120.570 -0.279 0.000 2.569 99 I HA 0.478 4.647 4.170 -0.001 0.000 0.296 99 I C -0.773 175.230 176.117 -0.189 0.000 1.028 99 I CA -0.639 60.572 61.300 -0.148 0.000 1.082 99 I CB 2.412 40.269 38.000 -0.239 0.000 1.264 99 I HN 0.317 nan 8.210 nan 0.000 0.429 100 W N 4.739 126.154 121.300 0.192 0.000 2.619 100 W HA 0.545 5.205 4.660 -0.001 0.000 0.327 100 W C -1.168 175.472 176.519 0.202 0.000 1.027 100 W CA -0.587 56.877 57.345 0.199 0.000 1.233 100 W CB 2.364 31.920 29.460 0.161 0.000 1.370 100 W HN 0.115 nan 8.180 nan 0.000 0.453 101 V N 4.677 124.835 119.914 0.407 0.000 2.459 101 V HA 0.328 4.448 4.120 -0.001 0.000 0.295 101 V C -1.981 174.285 176.094 0.286 0.000 1.029 101 V CA -2.436 60.069 62.300 0.342 0.000 0.874 101 V CB 1.754 33.828 31.823 0.419 0.000 0.985 101 V HN 0.236 nan 8.190 nan 0.000 0.438 102 P HA 0.075 nan 4.420 nan 0.000 0.268 102 P C -0.466 176.926 177.300 0.154 0.000 1.208 102 P CA 0.261 63.450 63.100 0.149 0.000 0.777 102 P CB 0.503 32.250 31.700 0.078 0.000 0.875 103 S N 1.729 117.507 115.700 0.131 0.000 2.473 103 S HA 0.618 5.087 4.470 -0.001 0.000 0.307 103 S C -2.365 172.283 174.600 0.080 0.000 1.094 103 S CA -1.464 56.808 58.200 0.121 0.000 1.070 103 S CB -0.026 63.259 63.200 0.142 0.000 1.019 103 S HN 0.229 nan 8.310 nan 0.000 0.480 104 P HA 0.321 nan 4.420 nan 0.000 0.278 104 P C -0.638 176.715 177.300 0.089 0.000 1.258 104 P CA -0.793 62.356 63.100 0.081 0.000 0.811 104 P CB 0.438 32.175 31.700 0.062 0.000 1.063 105 R N 1.776 122.342 120.500 0.110 0.000 2.494 105 R HA 0.035 4.374 4.340 -0.001 0.000 0.291 105 R C -1.767 174.588 176.300 0.091 0.000 0.953 105 R CA -0.661 55.514 56.100 0.124 0.000 1.098 105 R CB -0.458 29.919 30.300 0.130 0.000 0.911 105 R HN 0.392 nan 8.270 nan 0.000 0.407 106 P HA 0.105 nan 4.420 nan 0.000 0.286 106 P C -0.450 176.882 177.300 0.053 0.000 1.293 106 P CA -0.205 62.931 63.100 0.061 0.000 0.770 106 P CB 0.681 32.414 31.700 0.055 0.000 1.206 107 K N -1.224 119.195 120.400 0.032 0.000 2.240 107 K HA 0.217 4.537 4.320 -0.001 0.000 0.202 107 K C 0.375 176.976 176.600 0.003 0.000 1.053 107 K CA 0.672 56.970 56.287 0.018 0.000 0.973 107 K CB 0.143 32.648 32.500 0.009 0.000 0.924 107 K HN 0.178 nan 8.250 nan 0.000 0.477 108 S N 0.860 116.560 115.700 -0.000 0.000 2.423 108 S HA 0.190 4.660 4.470 -0.001 0.000 0.213 108 S C -1.138 173.459 174.600 -0.006 0.000 1.131 108 S CA -0.439 57.753 58.200 -0.014 0.000 1.155 108 S CB 1.177 64.358 63.200 -0.031 0.000 1.202 108 S HN 0.165 nan 8.310 nan 0.000 0.441 109 T N 1.797 116.356 114.554 0.008 0.000 2.905 109 T HA 0.589 4.939 4.350 -0.001 0.000 0.283 109 T C -0.038 174.665 174.700 0.005 0.000 1.031 109 T CA -0.221 61.885 62.100 0.009 0.000 1.002 109 T CB 1.106 69.988 68.868 0.024 0.000 1.200 109 T HN 0.425 nan 8.240 nan 0.000 0.560 110 T N 2.021 116.574 114.554 -0.002 0.000 2.934 110 T HA 0.326 4.675 4.350 -0.001 0.000 0.306 110 T C -0.209 174.503 174.700 0.020 0.000 1.042 110 T CA -0.230 61.866 62.100 -0.008 0.000 1.145 110 T CB 0.223 69.073 68.868 -0.031 0.000 0.982 110 T HN 0.404 nan 8.240 nan 0.000 0.544 111 V N 4.862 124.791 119.914 0.026 0.000 2.483 111 V HA 0.481 4.601 4.120 -0.001 0.000 0.295 111 V C 0.043 176.180 176.094 0.071 0.000 1.035 111 V CA -0.732 61.606 62.300 0.063 0.000 0.896 111 V CB 1.667 33.532 31.823 0.069 0.000 0.986 111 V HN 0.845 nan 8.190 nan 0.000 0.447 112 M N 4.519 124.190 119.600 0.119 0.000 2.190 112 M HA 0.516 4.995 4.480 -0.001 0.000 0.312 112 M C -1.283 175.241 176.300 0.374 0.000 0.990 112 M CA -0.573 54.823 55.300 0.160 0.000 0.927 112 M CB 2.050 34.652 32.600 0.003 0.000 1.571 112 M HN 0.414 nan 8.290 nan 0.000 0.427 113 V N 3.518 123.685 119.914 0.421 0.000 2.370 113 V HA 0.327 4.447 4.120 -0.001 0.000 0.283 113 V C -0.687 175.698 176.094 0.486 0.000 1.023 113 V CA -0.672 61.861 62.300 0.388 0.000 0.857 113 V CB 1.279 33.196 31.823 0.156 0.000 0.985 113 V HN 0.852 nan 8.190 nan 0.000 0.443 114 W N 6.944 128.368 121.300 0.206 0.000 2.338 114 W HA 0.648 5.308 4.660 -0.001 0.000 0.307 114 W C -1.375 175.041 176.519 -0.172 0.000 1.167 114 W CA -0.775 56.453 57.345 -0.195 0.000 1.208 114 W CB 1.168 30.582 29.460 -0.077 0.000 1.228 114 W HN 0.448 nan 8.180 nan 0.000 0.499 115 I N 8.437 128.374 120.570 -1.055 0.000 2.378 115 I HA 0.140 4.309 4.170 -0.001 0.000 0.291 115 I C -0.350 174.927 176.117 -1.400 0.000 0.992 115 I CA -1.150 59.566 61.300 -0.973 0.000 1.154 115 I CB 1.263 38.880 38.000 -0.638 0.000 1.315 115 I HN 0.297 nan 8.210 nan 0.000 0.448 116 Y N 4.394 124.303 120.300 -0.651 0.000 2.307 116 Y HA 0.812 5.361 4.550 -0.001 0.000 0.324 116 Y C 0.605 176.368 175.900 -0.228 0.000 1.238 116 Y CA -1.342 56.464 58.100 -0.490 0.000 1.280 116 Y CB 0.043 38.424 38.460 -0.133 0.000 1.248 116 Y HN 0.566 nan 8.280 nan 0.000 0.508 117 G N -0.265 108.579 108.800 0.073 0.000 2.508 117 G HA2 0.441 4.401 3.960 -0.001 0.000 0.278 117 G HA3 0.441 4.401 3.960 -0.001 0.000 0.278 117 G C 0.438 175.304 174.900 -0.056 0.000 1.389 117 G CA -0.709 44.364 45.100 -0.045 0.000 1.050 117 G HN 1.816 nan 8.290 nan 0.000 0.522 118 G N -3.169 105.458 108.800 -0.290 0.000 2.161 118 G HA2 0.392 4.352 3.960 -0.001 0.000 0.140 118 G HA3 0.392 4.352 3.960 -0.001 0.000 0.140 118 G C 1.098 175.517 174.900 -0.801 0.000 1.040 118 G CA 0.724 45.545 45.100 -0.464 0.000 0.735 118 G HN 2.361 nan 8.290 nan 0.000 0.496 119 G N -0.678 107.653 108.800 -0.783 0.000 2.168 119 G HA2 -0.140 3.820 3.960 -0.001 0.000 0.257 119 G HA3 -0.140 3.820 3.960 -0.001 0.000 0.257 119 G C 1.009 175.509 174.900 -0.665 0.000 0.997 119 G CA 0.974 45.362 45.100 -1.188 0.000 0.708 119 G HN 1.739 nan 8.290 nan 0.000 0.520 120 F N -3.490 116.282 119.950 -0.296 0.000 2.691 120 F HA -0.360 4.166 4.527 -0.001 0.000 0.487 120 F C 1.684 177.501 175.800 0.027 0.000 0.547 120 F CA 2.481 60.405 58.000 -0.126 0.000 0.988 120 F CB -1.935 36.843 39.000 -0.370 0.000 1.675 120 F HN 0.807 nan 8.300 nan 0.000 0.269 121 Y N 0.234 120.552 120.300 0.029 0.000 2.482 121 Y HA 0.605 5.155 4.550 -0.001 0.000 0.270 121 Y C 0.771 176.767 175.900 0.160 0.000 1.152 121 Y CA 0.383 58.555 58.100 0.119 0.000 1.292 121 Y CB -0.047 38.413 38.460 -0.000 0.000 1.070 121 Y HN 0.120 nan 8.280 nan 0.000 0.528 122 S N -1.010 114.376 115.700 -0.522 0.000 2.688 122 S HA 0.909 5.378 4.470 -0.001 0.000 0.275 122 S C -0.271 174.180 174.600 -0.248 0.000 1.175 122 S CA -0.465 57.546 58.200 -0.315 0.000 0.818 122 S CB 1.606 64.555 63.200 -0.418 0.000 1.157 122 S HN 1.194 nan 8.310 nan 0.000 0.482 123 G N -0.360 108.286 108.800 -0.256 0.000 2.334 123 G HA2 0.427 4.386 3.960 -0.001 0.000 0.566 123 G HA3 0.427 4.386 3.960 -0.001 0.000 0.566 123 G C -1.112 173.257 174.900 -0.884 0.000 1.413 123 G CA -0.286 44.523 45.100 -0.484 0.000 0.993 123 G HN 1.279 nan 8.290 nan 0.000 0.642 124 S N -1.384 113.712 115.700 -1.006 0.000 2.556 124 S HA 0.663 5.133 4.470 -0.001 0.000 0.271 124 S C 1.116 175.527 174.600 -0.314 0.000 1.135 124 S CA 0.168 57.990 58.200 -0.630 0.000 0.858 124 S CB 1.823 64.863 63.200 -0.267 0.000 1.114 124 S HN 1.629 nan 8.310 nan 0.000 0.468 125 S N 0.595 116.351 115.700 0.094 0.000 2.423 125 S HA -0.103 4.366 4.470 -0.001 0.000 0.231 125 S C 1.635 176.385 174.600 0.250 0.000 1.014 125 S CA 1.417 59.853 58.200 0.393 0.000 0.965 125 S CB -0.653 62.808 63.200 0.435 0.000 0.785 125 S HN 0.890 nan 8.310 nan 0.000 0.495 126 T N 0.146 114.672 114.554 -0.048 0.000 3.107 126 T HA 0.372 4.722 4.350 -0.001 0.000 0.249 126 T C 0.501 174.938 174.700 -0.439 0.000 1.096 126 T CA -0.385 61.450 62.100 -0.442 0.000 1.012 126 T CB -0.628 67.856 68.868 -0.639 0.000 0.977 126 T HN 0.244 nan 8.240 nan 0.000 0.527 127 L N 2.063 123.099 121.223 -0.312 0.000 2.483 127 L HA 0.194 4.533 4.340 -0.001 0.000 0.276 127 L C 1.174 177.776 176.870 -0.446 0.000 1.213 127 L CA -0.473 54.097 54.840 -0.448 0.000 0.843 127 L CB 0.290 41.935 42.059 -0.690 0.000 1.107 127 L HN 0.060 nan 8.230 nan 0.000 0.487 128 D N 0.730 120.894 120.400 -0.392 0.000 2.149 128 D HA -0.158 4.482 4.640 -0.001 0.000 0.198 128 D C 1.872 177.937 176.300 -0.393 0.000 0.990 128 D CA 1.174 54.996 54.000 -0.297 0.000 0.839 128 D CB -0.163 40.498 40.800 -0.231 0.000 0.948 128 D HN 0.483 nan 8.370 nan 0.000 0.460 129 V N -1.194 118.347 119.914 -0.621 0.000 3.141 129 V HA -0.142 3.978 4.120 -0.001 0.000 0.265 129 V C 0.959 176.600 176.094 -0.756 0.000 1.126 129 V CA 0.941 62.860 62.300 -0.635 0.000 1.141 129 V CB -1.158 30.203 31.823 -0.769 0.000 0.743 129 V HN 0.133 nan 8.190 nan 0.000 0.492 130 Y N 0.154 120.014 120.300 -0.733 0.000 2.493 130 Y HA 0.406 4.955 4.550 -0.001 0.000 0.275 130 Y C 1.115 176.577 175.900 -0.731 0.000 1.183 130 Y CA -1.781 55.581 58.100 -1.231 0.000 1.258 130 Y CB -1.170 36.786 38.460 -0.840 0.000 1.108 130 Y HN 0.235 nan 8.280 nan 0.000 0.521 131 N N 1.546 120.081 118.700 -0.275 0.000 2.417 131 N HA -0.040 4.700 4.740 -0.001 0.000 0.272 131 N C 1.319 176.643 175.510 -0.311 0.000 1.304 131 N CA 0.681 53.596 53.050 -0.224 0.000 0.906 131 N CB 1.062 39.513 38.487 -0.060 0.000 1.135 131 N HN 0.487 nan 8.380 nan 0.000 0.483 132 G N 3.485 111.646 108.800 -1.065 0.000 2.813 132 G HA2 -0.183 3.776 3.960 -0.001 0.000 0.209 132 G HA3 -0.183 3.776 3.960 -0.001 0.000 0.209 132 G C 1.389 175.776 174.900 -0.855 0.000 1.150 132 G CA 0.271 44.886 45.100 -0.808 0.000 0.785 132 G HN 0.754 nan 8.290 nan 0.000 0.535 133 K N -0.253 119.442 120.400 -1.175 0.000 2.211 133 K HA -0.149 4.170 4.320 -0.001 0.000 0.204 133 K C 1.602 177.951 176.600 -0.419 0.000 1.047 133 K CA 1.013 56.889 56.287 -0.684 0.000 0.935 133 K CB -0.447 31.703 32.500 -0.584 0.000 0.728 133 K HN 0.368 nan 8.250 nan 0.000 0.452 134 Y N 0.979 121.190 120.300 -0.148 0.000 2.206 134 Y HA -0.098 4.451 4.550 -0.001 0.000 0.292 134 Y C 2.376 178.271 175.900 -0.007 0.000 1.123 134 Y CA 0.451 58.510 58.100 -0.068 0.000 1.142 134 Y CB -0.538 37.857 38.460 -0.109 0.000 1.006 134 Y HN -0.058 nan 8.280 nan 0.000 0.518 135 L N 0.410 121.681 121.223 0.080 0.000 1.990 135 L HA -0.237 4.103 4.340 -0.001 0.000 0.213 135 L C 2.480 179.385 176.870 0.059 0.000 1.072 135 L CA 2.072 56.917 54.840 0.007 0.000 0.755 135 L CB -1.383 40.598 42.059 -0.130 0.000 0.889 135 L HN 0.218 nan 8.230 nan 0.000 0.432 136 A N -1.705 121.157 122.820 0.070 0.000 1.892 136 A HA -0.336 3.984 4.320 -0.001 0.000 0.218 136 A C 2.326 179.985 177.584 0.125 0.000 1.188 136 A CA 2.238 54.353 52.037 0.130 0.000 0.631 136 A CB -1.218 17.914 19.000 0.220 0.000 0.822 136 A HN 0.620 nan 8.150 nan 0.000 0.447 137 Y N 0.619 120.931 120.300 0.021 0.000 2.109 137 Y HA -0.136 4.414 4.550 -0.001 0.000 0.285 137 Y C 2.728 178.648 175.900 0.032 0.000 1.131 137 Y CA 2.416 60.530 58.100 0.023 0.000 1.121 137 Y CB -0.695 37.754 38.460 -0.018 0.000 0.987 137 Y HN 0.267 nan 8.280 nan 0.000 0.495 138 T N 0.334 115.065 114.554 0.295 0.000 2.821 138 T HA -0.104 4.246 4.350 -0.001 0.000 0.267 138 T C 1.187 175.920 174.700 0.056 0.000 1.046 138 T CA 1.653 63.884 62.100 0.219 0.000 1.139 138 T CB -0.090 68.916 68.868 0.229 0.000 0.871 138 T HN 0.314 nan 8.240 nan 0.000 0.454 139 E N 0.400 120.632 120.200 0.054 0.000 2.501 139 E HA 0.171 4.521 4.350 -0.001 0.000 0.201 139 E C -0.127 176.484 176.600 0.020 0.000 1.016 139 E CA -0.015 56.417 56.400 0.054 0.000 0.920 139 E CB 0.299 30.037 29.700 0.064 0.000 1.023 139 E HN 0.458 nan 8.360 nan 0.000 0.474 140 E N 0.239 120.432 120.200 -0.012 0.000 2.273 140 E HA -0.176 4.174 4.350 -0.001 0.000 0.177 140 E C -0.686 175.930 176.600 0.026 0.000 1.511 140 E CA 0.532 56.928 56.400 -0.007 0.000 0.675 140 E CB -1.130 28.557 29.700 -0.021 0.000 1.094 140 E HN 0.137 nan 8.360 nan 0.000 0.348 141 V N -2.332 117.613 119.914 0.052 0.000 3.078 141 V HA 0.727 4.846 4.120 -0.001 0.000 0.311 141 V C 0.237 176.397 176.094 0.110 0.000 1.138 141 V CA -1.223 61.113 62.300 0.060 0.000 1.007 141 V CB 2.340 34.184 31.823 0.036 0.000 1.045 141 V HN -0.015 nan 8.190 nan 0.000 0.432 142 V N 3.846 123.830 119.914 0.117 0.000 2.498 142 V HA 0.374 4.493 4.120 -0.001 0.000 0.279 142 V C -0.055 176.160 176.094 0.202 0.000 1.048 142 V CA -0.339 62.060 62.300 0.165 0.000 0.967 142 V CB 1.274 33.177 31.823 0.134 0.000 0.988 142 V HN 0.785 nan 8.190 nan 0.000 0.473 143 L N 7.152 128.557 121.223 0.303 0.000 2.319 143 L HA 0.668 5.007 4.340 -0.001 0.000 0.281 143 L C -0.681 176.477 176.870 0.479 0.000 1.005 143 L CA -0.231 54.847 54.840 0.398 0.000 0.828 143 L CB 1.693 44.003 42.059 0.419 0.000 1.227 143 L HN 0.548 nan 8.230 nan 0.000 0.415 144 V N 4.896 125.056 119.914 0.409 0.000 2.628 144 V HA 0.776 4.896 4.120 -0.001 0.000 0.306 144 V C -0.358 175.999 176.094 0.437 0.000 1.045 144 V CA -0.205 62.304 62.300 0.348 0.000 0.905 144 V CB 2.287 34.209 31.823 0.165 0.000 0.997 144 V HN 0.925 nan 8.190 nan 0.000 0.436 145 S N 6.839 122.801 115.700 0.435 0.000 2.500 145 S HA 0.839 5.308 4.470 -0.001 0.000 0.301 145 S C -0.648 174.135 174.600 0.305 0.000 1.092 145 S CA -0.818 57.656 58.200 0.458 0.000 1.030 145 S CB 1.428 65.011 63.200 0.638 0.000 1.031 145 S HN 1.242 nan 8.310 nan 0.000 0.483 146 L N 0.060 121.410 121.223 0.211 0.000 2.491 146 L HA 1.024 5.363 4.340 -0.001 0.000 0.264 146 L C 0.011 177.047 176.870 0.277 0.000 1.053 146 L CA -0.826 54.104 54.840 0.150 0.000 0.858 146 L CB 0.610 42.644 42.059 -0.041 0.000 1.519 146 L HN 0.911 nan 8.230 nan 0.000 0.508 147 S N -1.200 114.720 115.700 0.366 0.000 2.535 147 S HA 0.782 5.252 4.470 -0.001 0.000 0.272 147 S C -1.359 173.510 174.600 0.448 0.000 1.149 147 S CA -0.604 57.852 58.200 0.428 0.000 0.888 147 S CB 1.007 64.484 63.200 0.463 0.000 1.110 147 S HN 1.173 nan 8.310 nan 0.000 0.463 148 Y N -0.235 120.185 120.300 0.201 0.000 2.625 148 Y HA 0.736 5.286 4.550 -0.001 0.000 0.338 148 Y C -0.652 175.366 175.900 0.196 0.000 1.123 148 Y CA -1.450 56.746 58.100 0.160 0.000 1.046 148 Y CB 0.904 39.412 38.460 0.080 0.000 1.299 148 Y HN 0.759 nan 8.280 nan 0.000 0.464 149 R N 1.843 122.472 120.500 0.216 0.000 2.389 149 R HA 0.543 4.882 4.340 -0.001 0.000 0.295 149 R C -0.240 176.218 176.300 0.264 0.000 1.075 149 R CA -0.455 55.731 56.100 0.143 0.000 1.005 149 R CB 1.289 31.647 30.300 0.095 0.000 0.987 149 R HN 0.698 nan 8.270 nan 0.000 0.452 150 V N 0.358 120.451 119.914 0.299 0.000 3.284 150 V HA 0.808 4.928 4.120 -0.001 0.000 0.309 150 V C 0.974 177.398 176.094 0.549 0.000 1.190 150 V CA -0.131 62.458 62.300 0.480 0.000 1.038 150 V CB 0.905 32.899 31.823 0.285 0.000 1.198 150 V HN 0.935 nan 8.190 nan 0.000 0.465 151 G N 0.414 109.547 108.800 0.556 0.000 2.602 151 G HA2 -0.143 3.816 3.960 -0.001 0.000 0.317 151 G HA3 -0.143 3.816 3.960 -0.001 0.000 0.317 151 G C 1.167 176.222 174.900 0.259 0.000 1.327 151 G CA 1.681 47.063 45.100 0.470 0.000 0.971 151 G HN 2.156 nan 8.290 nan 0.000 0.540 152 A N -1.279 121.381 122.820 -0.266 0.000 1.902 152 A HA 0.186 4.505 4.320 -0.001 0.000 0.217 152 A C 2.282 179.681 177.584 -0.309 0.000 1.181 152 A CA 2.477 54.017 52.037 -0.829 0.000 0.623 152 A CB -0.562 17.797 19.000 -1.069 0.000 0.818 152 A HN 0.909 nan 8.150 nan 0.000 0.443 153 F N 0.155 120.190 119.950 0.142 0.000 2.225 153 F HA -0.160 4.367 4.527 -0.001 0.000 0.302 153 F C 2.393 178.242 175.800 0.082 0.000 1.068 153 F CA 1.161 59.238 58.000 0.128 0.000 1.327 153 F CB -0.465 38.548 39.000 0.022 0.000 1.043 153 F HN 0.325 nan 8.300 nan 0.000 0.506 154 G N -2.608 106.299 108.800 0.178 0.000 2.784 154 G HA2 0.093 4.052 3.960 -0.001 0.000 0.208 154 G HA3 0.093 4.052 3.960 -0.001 0.000 0.208 154 G C 0.882 175.385 174.900 -0.661 0.000 1.120 154 G CA 0.149 45.148 45.100 -0.168 0.000 0.774 154 G HN 0.351 nan 8.290 nan 0.000 0.528 155 F N -0.844 119.154 119.950 0.080 0.000 2.975 155 F HA 0.403 4.929 4.527 -0.001 0.000 0.366 155 F C 0.376 176.178 175.800 0.004 0.000 1.071 155 F CA -0.960 57.077 58.000 0.062 0.000 1.102 155 F CB 0.346 39.425 39.000 0.131 0.000 1.176 155 F HN -0.075 nan 8.300 nan 0.000 0.545 156 L N 2.471 123.627 121.223 -0.111 0.000 2.678 156 L HA 0.306 4.645 4.340 -0.001 0.000 0.285 156 L C 0.024 176.827 176.870 -0.111 0.000 1.233 156 L CA 0.330 54.989 54.840 -0.303 0.000 0.920 156 L CB 0.083 41.715 42.059 -0.711 0.000 1.176 156 L HN 0.174 nan 8.230 nan 0.000 0.495 157 A N 6.914 129.723 122.820 -0.017 0.000 2.446 157 A HA 0.574 4.894 4.320 -0.001 0.000 0.282 157 A C -0.908 176.694 177.584 0.030 0.000 1.102 157 A CA -0.509 51.544 52.037 0.027 0.000 0.737 157 A CB 0.687 19.740 19.000 0.089 0.000 1.212 157 A HN 0.674 nan 8.150 nan 0.000 0.434 158 L N 3.677 124.911 121.223 0.018 0.000 2.506 158 L HA 0.223 4.563 4.340 -0.001 0.000 0.247 158 L C 1.411 178.330 176.870 0.082 0.000 1.141 158 L CA -0.692 54.167 54.840 0.032 0.000 0.973 158 L CB 0.309 42.355 42.059 -0.021 0.000 1.319 158 L HN 1.081 nan 8.230 nan 0.000 0.455 159 H N 2.995 122.068 119.070 0.005 0.000 2.275 159 H HA -0.299 4.257 4.556 -0.001 0.000 0.279 159 H C 1.944 177.283 175.328 0.017 0.000 1.121 159 H CA 2.434 58.491 56.048 0.016 0.000 1.175 159 H CB -0.066 29.707 29.762 0.019 0.000 1.390 159 H HN 0.622 nan 8.280 nan 0.000 0.521 160 G N -0.817 107.901 108.800 -0.137 0.000 2.499 160 G HA2 -0.203 3.756 3.960 -0.001 0.000 0.221 160 G HA3 -0.203 3.756 3.960 -0.001 0.000 0.221 160 G C 0.778 175.593 174.900 -0.142 0.000 1.109 160 G CA 1.104 46.090 45.100 -0.189 0.000 0.749 160 G HN 0.682 nan 8.290 nan 0.000 0.568 161 S N -1.513 114.136 115.700 -0.085 0.000 2.593 161 S HA 0.483 4.952 4.470 -0.001 0.000 0.297 161 S C 0.765 175.351 174.600 -0.025 0.000 1.112 161 S CA -0.584 57.594 58.200 -0.038 0.000 1.043 161 S CB 1.929 65.121 63.200 -0.013 0.000 1.054 161 S HN 0.032 nan 8.310 nan 0.000 0.516 162 Q N 1.148 120.944 119.800 -0.007 0.000 2.408 162 Q HA 0.205 4.545 4.340 -0.001 0.000 0.205 162 Q C 1.163 177.181 176.000 0.030 0.000 0.919 162 Q CA 0.470 56.277 55.803 0.008 0.000 0.932 162 Q CB 0.066 28.808 28.738 0.007 0.000 1.058 162 Q HN 0.717 nan 8.270 nan 0.000 0.517 163 E N 0.376 120.598 120.200 0.036 0.000 2.158 163 E HA 0.050 4.399 4.350 -0.001 0.000 0.191 163 E C 0.043 176.700 176.600 0.094 0.000 0.982 163 E CA 0.577 57.016 56.400 0.065 0.000 0.823 163 E CB 0.453 30.195 29.700 0.070 0.000 0.766 163 E HN 0.122 nan 8.360 nan 0.000 0.468 164 A N 1.202 124.056 122.820 0.058 0.000 3.158 164 A HA 0.301 4.621 4.320 -0.001 0.000 0.302 164 A C -2.247 175.350 177.584 0.021 0.000 1.162 164 A CA -0.853 51.212 52.037 0.047 0.000 0.824 164 A CB 0.780 19.742 19.000 -0.064 0.000 1.322 164 A HN -0.119 nan 8.150 nan 0.000 0.510 165 P HA 0.245 nan 4.420 nan 0.000 0.235 165 P C 0.809 178.168 177.300 0.098 0.000 1.177 165 P CA 1.467 64.606 63.100 0.065 0.000 0.785 165 P CB 0.421 32.158 31.700 0.062 0.000 0.885 166 G N 0.518 109.355 108.800 0.062 0.000 2.617 166 G HA2 -0.084 3.875 3.960 -0.001 0.000 0.686 166 G HA3 -0.084 3.875 3.960 -0.001 0.000 0.686 166 G C -0.252 174.661 174.900 0.021 0.000 1.214 166 G CA -0.336 44.806 45.100 0.070 0.000 0.796 166 G HN 0.055 nan 8.290 nan 0.000 0.654 167 N N -1.708 116.983 118.700 -0.014 0.000 2.850 167 N HA -0.203 4.536 4.740 -0.001 0.000 0.249 167 N C 1.586 176.947 175.510 -0.250 0.000 1.060 167 N CA 1.342 54.320 53.050 -0.120 0.000 0.825 167 N CB -1.343 37.033 38.487 -0.184 0.000 1.132 167 N HN 1.082 nan 8.380 nan 0.000 0.564 168 V N -0.058 119.687 119.914 -0.282 0.000 2.427 168 V HA -0.116 4.004 4.120 -0.001 0.000 0.248 168 V C 2.443 178.399 176.094 -0.229 0.000 1.051 168 V CA 2.484 64.674 62.300 -0.183 0.000 1.048 168 V CB -0.552 31.204 31.823 -0.111 0.000 0.666 168 V HN 0.554 nan 8.190 nan 0.000 0.456 169 G N -0.553 107.922 108.800 -0.542 0.000 2.422 169 G HA2 -0.222 3.738 3.960 -0.001 0.000 0.218 169 G HA3 -0.222 3.738 3.960 -0.001 0.000 0.218 169 G C 1.505 176.385 174.900 -0.033 0.000 1.146 169 G CA 0.754 45.696 45.100 -0.262 0.000 0.769 169 G HN 0.390 nan 8.290 nan 0.000 0.547 170 L N 0.506 121.650 121.223 -0.131 0.000 2.042 170 L HA 0.050 4.390 4.340 -0.001 0.000 0.210 170 L C 2.878 179.794 176.870 0.076 0.000 1.076 170 L CA 1.174 55.952 54.840 -0.104 0.000 0.749 170 L CB -0.632 41.173 42.059 -0.423 0.000 0.893 170 L HN 0.210 nan 8.230 nan 0.000 0.432 171 L N -1.184 120.083 121.223 0.073 0.000 2.017 171 L HA -0.229 4.111 4.340 -0.001 0.000 0.208 171 L C 2.210 179.185 176.870 0.175 0.000 1.073 171 L CA 1.211 56.158 54.840 0.179 0.000 0.745 171 L CB -0.905 41.239 42.059 0.141 0.000 0.894 171 L HN 0.221 nan 8.230 nan 0.000 0.432 172 D N 0.091 120.588 120.400 0.162 0.000 2.157 172 D HA -0.274 4.365 4.640 -0.001 0.000 0.191 172 D C 2.240 178.697 176.300 0.262 0.000 1.004 172 D CA 1.432 55.596 54.000 0.274 0.000 0.854 172 D CB -0.292 40.684 40.800 0.293 0.000 0.936 172 D HN 0.421 nan 8.370 nan 0.000 0.446 173 Q N -0.330 119.558 119.800 0.147 0.000 2.084 173 Q HA -0.096 4.244 4.340 -0.001 0.000 0.202 173 Q C 2.319 178.302 176.000 -0.028 0.000 0.978 173 Q CA 0.931 56.745 55.803 0.019 0.000 0.844 173 Q CB 0.007 28.741 28.738 -0.007 0.000 0.898 173 Q HN 0.215 nan 8.270 nan 0.000 0.426 174 R N 0.385 120.943 120.500 0.098 0.000 2.075 174 R HA -0.131 4.209 4.340 -0.001 0.000 0.232 174 R C 2.239 178.546 176.300 0.013 0.000 1.126 174 R CA 1.354 57.472 56.100 0.029 0.000 0.963 174 R CB -0.136 30.257 30.300 0.155 0.000 0.858 174 R HN 0.235 nan 8.270 nan 0.000 0.435 175 M N 0.227 119.878 119.600 0.086 0.000 2.108 175 M HA -0.150 4.330 4.480 -0.001 0.000 0.261 175 M C 2.006 178.300 176.300 -0.010 0.000 1.066 175 M CA 2.178 57.557 55.300 0.132 0.000 1.107 175 M CB -0.062 32.711 32.600 0.288 0.000 1.356 175 M HN 0.245 nan 8.290 nan 0.000 0.406 176 A N -0.270 122.317 122.820 -0.389 0.000 1.929 176 A HA -0.063 4.257 4.320 -0.001 0.000 0.216 176 A C 1.894 179.336 177.584 -0.237 0.000 1.176 176 A CA 1.141 52.706 52.037 -0.786 0.000 0.628 176 A CB -0.805 17.448 19.000 -1.246 0.000 0.816 176 A HN 0.492 nan 8.150 nan 0.000 0.444 177 L N -0.403 120.722 121.223 -0.163 0.000 2.083 177 L HA -0.171 4.168 4.340 -0.001 0.000 0.209 177 L C 2.546 179.443 176.870 0.045 0.000 1.083 177 L CA 2.082 56.886 54.840 -0.060 0.000 0.752 177 L CB -1.170 40.816 42.059 -0.122 0.000 0.899 177 L HN 0.504 nan 8.230 nan 0.000 0.433 178 Q N -1.246 118.583 119.800 0.049 0.000 2.002 178 Q HA -0.283 4.057 4.340 -0.001 0.000 0.204 178 Q C 2.234 178.352 176.000 0.197 0.000 0.988 178 Q CA 2.196 58.061 55.803 0.104 0.000 0.843 178 Q CB -0.779 28.018 28.738 0.098 0.000 0.908 178 Q HN 0.507 nan 8.270 nan 0.000 0.420 179 W N -0.549 120.756 121.300 0.007 0.000 2.342 179 W HA -0.198 4.461 4.660 -0.001 0.000 0.297 179 W C 1.880 178.424 176.519 0.041 0.000 1.213 179 W CA 1.637 59.005 57.345 0.038 0.000 1.251 179 W CB -0.089 29.388 29.460 0.027 0.000 1.136 179 W HN 0.040 nan 8.180 nan 0.000 0.526 180 V N -0.119 120.042 119.914 0.411 0.000 2.255 180 V HA -0.402 3.717 4.120 -0.001 0.000 0.247 180 V C 2.179 178.311 176.094 0.063 0.000 1.051 180 V CA 2.467 64.913 62.300 0.243 0.000 1.018 180 V CB -1.492 30.438 31.823 0.177 0.000 0.641 180 V HN 0.273 nan 8.190 nan 0.000 0.445 181 H N 0.690 119.757 119.070 -0.005 0.000 2.325 181 H HA -0.218 4.337 4.556 -0.001 0.000 0.293 181 H C 1.884 177.136 175.328 -0.128 0.000 1.106 181 H CA 2.356 58.374 56.048 -0.050 0.000 1.247 181 H CB -0.148 29.597 29.762 -0.029 0.000 1.359 181 H HN 0.441 nan 8.280 nan 0.000 0.488 182 D N -1.388 118.926 120.400 -0.142 0.000 2.348 182 D HA 0.011 4.650 4.640 -0.001 0.000 0.211 182 D C 0.901 176.976 176.300 -0.374 0.000 0.998 182 D CA 0.455 54.308 54.000 -0.244 0.000 0.873 182 D CB 0.231 40.935 40.800 -0.159 0.000 0.925 182 D HN 0.519 nan 8.370 nan 0.000 0.524 183 N N -0.264 118.160 118.700 -0.460 0.000 2.104 183 N HA 0.013 4.753 4.740 -0.001 0.000 0.227 183 N C 1.419 176.822 175.510 -0.177 0.000 1.321 183 N CA -0.159 52.640 53.050 -0.419 0.000 0.877 183 N CB 1.095 39.042 38.487 -0.900 0.000 1.117 183 N HN -0.022 nan 8.380 nan 0.000 0.486 184 I N 3.366 123.861 120.570 -0.126 0.000 2.423 184 I HA -0.262 3.908 4.170 -0.001 0.000 0.254 184 I C 2.508 178.645 176.117 0.035 0.000 1.151 184 I CA 1.477 62.829 61.300 0.086 0.000 1.421 184 I CB -0.195 37.814 38.000 0.016 0.000 1.079 184 I HN 0.202 nan 8.210 nan 0.000 0.431 185 Q N -0.576 119.048 119.800 -0.292 0.000 2.181 185 Q HA -0.242 4.098 4.340 -0.001 0.000 0.205 185 Q C 1.854 177.644 176.000 -0.351 0.000 0.980 185 Q CA 1.937 57.508 55.803 -0.386 0.000 0.862 185 Q CB -1.024 27.351 28.738 -0.605 0.000 0.905 185 Q HN 0.521 nan 8.270 nan 0.000 0.429 186 F N -0.743 119.142 119.950 -0.108 0.000 2.802 186 F HA 0.144 4.671 4.527 -0.001 0.000 0.300 186 F C 0.555 176.081 175.800 -0.457 0.000 1.168 186 F CA 0.118 57.934 58.000 -0.307 0.000 1.433 186 F CB 0.156 38.888 39.000 -0.448 0.000 1.115 186 F HN -0.019 nan 8.300 nan 0.000 0.582 187 F N -0.554 119.406 119.950 0.017 0.000 2.683 187 F HA 0.419 4.945 4.527 -0.001 0.000 0.306 187 F C 1.554 177.365 175.800 0.019 0.000 1.102 187 F CA 0.079 58.074 58.000 -0.008 0.000 1.244 187 F CB 0.621 39.593 39.000 -0.047 0.000 1.029 187 F HN 0.004 nan 8.300 nan 0.000 0.545 188 G N 0.323 109.205 108.800 0.138 0.000 2.175 188 G HA2 -0.185 3.774 3.960 -0.001 0.000 0.244 188 G HA3 -0.185 3.774 3.960 -0.001 0.000 0.244 188 G C 0.572 175.516 174.900 0.073 0.000 0.982 188 G CA -0.258 44.900 45.100 0.096 0.000 0.641 188 G HN 0.707 nan 8.290 nan 0.000 0.527 189 G N -0.098 108.749 108.800 0.078 0.000 2.356 189 G HA2 0.503 4.462 3.960 -0.001 0.000 0.298 189 G HA3 0.503 4.462 3.960 -0.001 0.000 0.298 189 G C -0.588 174.295 174.900 -0.028 0.000 1.145 189 G CA 0.343 45.465 45.100 0.038 0.000 0.850 189 G HN 0.346 nan 8.290 nan 0.000 0.487 190 D N 2.346 122.729 120.400 -0.029 0.000 2.336 190 D HA 0.229 4.868 4.640 -0.001 0.000 0.249 190 D C -1.110 175.149 176.300 -0.068 0.000 1.213 190 D CA -2.219 51.746 54.000 -0.059 0.000 0.870 190 D CB 1.639 42.413 40.800 -0.043 0.000 1.076 190 D HN 0.104 nan 8.370 nan 0.000 0.483 191 P HA -0.039 nan 4.420 nan 0.000 0.242 191 P C 0.612 177.876 177.300 -0.060 0.000 1.197 191 P CA 0.411 63.438 63.100 -0.122 0.000 0.765 191 P CB 0.224 31.746 31.700 -0.297 0.000 0.936 192 K N -0.660 119.706 120.400 -0.057 0.000 2.525 192 K HA 0.067 4.386 4.320 -0.001 0.000 0.192 192 K C 0.262 176.853 176.600 -0.015 0.000 1.029 192 K CA 0.759 57.028 56.287 -0.031 0.000 1.029 192 K CB 0.023 32.496 32.500 -0.045 0.000 0.814 192 K HN 0.002 nan 8.250 nan 0.000 0.503 193 T N 0.693 115.243 114.554 -0.007 0.000 3.967 193 T HA 0.092 4.442 4.350 -0.001 0.000 0.262 193 T C -0.752 173.956 174.700 0.013 0.000 0.966 193 T CA -0.461 61.631 62.100 -0.013 0.000 1.169 193 T CB 0.527 69.372 68.868 -0.038 0.000 1.038 193 T HN -0.001 nan 8.240 nan 0.000 0.541 194 V N -0.392 119.561 119.914 0.065 0.000 2.539 194 V HA 0.856 4.975 4.120 -0.001 0.000 0.292 194 V C -0.306 175.874 176.094 0.143 0.000 1.045 194 V CA -0.290 62.071 62.300 0.102 0.000 0.945 194 V CB 1.697 33.601 31.823 0.134 0.000 0.993 194 V HN 0.250 nan 8.190 nan 0.000 0.464 195 T N 7.134 121.755 114.554 0.112 0.000 2.809 195 T HA 0.563 4.913 4.350 -0.001 0.000 0.296 195 T C -0.045 174.744 174.700 0.149 0.000 1.015 195 T CA -0.177 61.993 62.100 0.117 0.000 0.954 195 T CB 0.632 69.513 68.868 0.021 0.000 0.950 195 T HN 0.904 nan 8.240 nan 0.000 0.450 196 I N 1.668 122.268 120.570 0.051 0.000 2.428 196 I HA 0.818 4.987 4.170 -0.001 0.000 0.289 196 I C -0.695 175.546 176.117 0.206 0.000 1.019 196 I CA -0.849 60.464 61.300 0.021 0.000 1.351 196 I CB 0.553 38.350 38.000 -0.339 0.000 1.412 196 I HN 0.482 nan 8.210 nan 0.000 0.513 197 F N 3.475 123.420 119.950 -0.009 0.000 2.581 197 F HA 0.984 5.510 4.527 -0.001 0.000 0.311 197 F C -0.443 175.295 175.800 -0.103 0.000 1.113 197 F CA -1.122 56.914 58.000 0.060 0.000 0.935 197 F CB 1.357 40.511 39.000 0.255 0.000 1.232 197 F HN 0.809 nan 8.300 nan 0.000 0.445 198 G N 1.669 110.294 108.800 -0.292 0.000 2.660 198 G HA2 0.510 4.470 3.960 -0.001 0.000 0.290 198 G HA3 0.510 4.470 3.960 -0.001 0.000 0.290 198 G C -2.438 172.271 174.900 -0.319 0.000 1.432 198 G CA -0.799 43.827 45.100 -0.790 0.000 0.807 198 G HN 0.810 nan 8.290 nan 0.000 0.485 199 E N 0.000 119.999 120.200 -0.335 0.000 2.238 199 E HA 0.538 4.888 4.350 -0.001 0.000 0.267 199 E C 1.056 177.617 176.600 -0.066 0.000 0.887 199 E CA 0.440 56.819 56.400 -0.035 0.000 0.769 199 E CB 1.983 31.787 29.700 0.173 0.000 1.187 199 E HN 1.015 nan 8.360 nan 0.000 0.416 200 S N 3.258 118.981 115.700 0.038 0.000 4.149 200 S HA -0.419 4.051 4.470 -0.001 0.000 0.538 200 S C 1.705 176.395 174.600 0.150 0.000 1.671 200 S CA 1.581 59.900 58.200 0.199 0.000 4.030 200 S CB -1.778 61.565 63.200 0.238 0.000 1.255 200 S HN 0.930 nan 8.310 nan 0.000 0.471 201 A N 2.318 125.091 122.820 -0.078 0.000 1.948 201 A HA 0.161 4.480 4.320 -0.001 0.000 0.220 201 A C 2.584 179.957 177.584 -0.352 0.000 1.177 201 A CA 2.828 54.611 52.037 -0.423 0.000 0.636 201 A CB -1.939 16.355 19.000 -1.177 0.000 0.815 201 A HN 1.675 nan 8.150 nan 0.000 0.449 202 G N -0.596 108.030 108.800 -0.290 0.000 2.480 202 G HA2 -0.000 3.960 3.960 -0.001 0.000 0.216 202 G HA3 -0.000 3.960 3.960 -0.001 0.000 0.216 202 G C 1.629 176.360 174.900 -0.281 0.000 1.200 202 G CA 1.333 46.214 45.100 -0.366 0.000 0.782 202 G HN 0.765 nan 8.290 nan 0.000 0.554 203 G N 1.326 110.015 108.800 -0.185 0.000 2.529 203 G HA2 -0.094 3.866 3.960 -0.001 0.000 0.219 203 G HA3 -0.094 3.866 3.960 -0.001 0.000 0.219 203 G C 2.116 176.934 174.900 -0.138 0.000 1.177 203 G CA 2.025 47.052 45.100 -0.122 0.000 0.773 203 G HN 0.786 nan 8.290 nan 0.000 0.573 204 A N 0.622 123.398 122.820 -0.074 0.000 1.948 204 A HA -0.061 4.259 4.320 -0.001 0.000 0.220 204 A C 2.725 180.274 177.584 -0.060 0.000 1.177 204 A CA 2.547 54.524 52.037 -0.099 0.000 0.636 204 A CB -0.646 18.328 19.000 -0.043 0.000 0.815 204 A HN 0.405 nan 8.150 nan 0.000 0.449 205 S N -0.417 115.260 115.700 -0.038 0.000 2.368 205 S HA -0.115 4.354 4.470 -0.001 0.000 0.224 205 S C 1.838 176.374 174.600 -0.106 0.000 1.029 205 S CA 1.246 59.397 58.200 -0.083 0.000 0.988 205 S CB -0.627 62.481 63.200 -0.154 0.000 0.838 205 S HN 0.328 nan 8.310 nan 0.000 0.462 206 V N 2.190 122.041 119.914 -0.105 0.000 2.287 206 V HA -0.201 3.919 4.120 -0.001 0.000 0.248 206 V C 2.721 178.791 176.094 -0.039 0.000 1.053 206 V CA 2.073 64.326 62.300 -0.079 0.000 1.027 206 V CB -1.620 30.121 31.823 -0.136 0.000 0.646 206 V HN 0.601 nan 8.190 nan 0.000 0.447 207 G N -0.582 108.136 108.800 -0.137 0.000 2.469 207 G HA2 -0.315 3.644 3.960 -0.001 0.000 0.219 207 G HA3 -0.315 3.644 3.960 -0.001 0.000 0.219 207 G C 1.556 176.470 174.900 0.023 0.000 1.150 207 G CA 1.434 46.418 45.100 -0.194 0.000 0.763 207 G HN 0.474 nan 8.290 nan 0.000 0.561 208 M N -0.560 119.062 119.600 0.035 0.000 2.200 208 M HA 0.018 4.498 4.480 -0.001 0.000 0.265 208 M C 2.212 178.656 176.300 0.241 0.000 1.066 208 M CA 1.115 56.542 55.300 0.213 0.000 1.127 208 M CB -0.369 32.366 32.600 0.224 0.000 1.379 208 M HN 0.318 nan 8.290 nan 0.000 0.420 209 H N 0.046 119.256 119.070 0.233 0.000 2.547 209 H HA 0.111 4.667 4.556 -0.001 0.000 0.272 209 H C 1.984 177.538 175.328 0.377 0.000 0.989 209 H CA 0.577 56.770 56.048 0.243 0.000 1.214 209 H CB 0.067 29.906 29.762 0.128 0.000 1.389 209 H HN 0.303 nan 8.280 nan 0.000 0.577 210 I N 0.090 120.947 120.570 0.479 0.000 2.252 210 I HA -0.244 3.925 4.170 -0.001 0.000 0.245 210 I C 1.535 177.878 176.117 0.377 0.000 1.102 210 I CA 1.150 62.739 61.300 0.481 0.000 1.385 210 I CB -0.006 38.224 38.000 0.383 0.000 1.064 210 I HN 0.257 nan 8.210 nan 0.000 0.414 211 L N -0.480 120.947 121.223 0.340 0.000 2.068 211 L HA -0.043 4.296 4.340 -0.001 0.000 0.204 211 L C 1.533 178.519 176.870 0.193 0.000 1.076 211 L CA 0.496 55.531 54.840 0.325 0.000 0.753 211 L CB -0.352 41.937 42.059 0.383 0.000 0.910 211 L HN 0.021 nan 8.230 nan 0.000 0.439 212 S N -0.008 115.742 115.700 0.082 0.000 2.515 212 S HA 0.063 4.532 4.470 -0.001 0.000 0.285 212 S C -1.500 172.998 174.600 -0.169 0.000 1.265 212 S CA -1.220 56.840 58.200 -0.234 0.000 1.079 212 S CB 0.814 63.551 63.200 -0.772 0.000 0.877 212 S HN -0.075 nan 8.310 nan 0.000 0.493 213 P HA -0.047 nan 4.420 nan 0.000 0.215 213 P C 1.373 178.584 177.300 -0.148 0.000 1.153 213 P CA 1.070 64.097 63.100 -0.122 0.000 0.853 213 P CB -0.083 31.551 31.700 -0.109 0.000 0.788 214 G N -1.533 107.134 108.800 -0.222 0.000 2.776 214 G HA2 -0.114 3.846 3.960 -0.001 0.000 0.209 214 G HA3 -0.114 3.846 3.960 -0.001 0.000 0.209 214 G C 1.382 176.207 174.900 -0.125 0.000 1.145 214 G CA 0.426 45.422 45.100 -0.175 0.000 0.791 214 G HN 0.217 nan 8.290 nan 0.000 0.530 215 S N -0.434 115.211 115.700 -0.092 0.000 2.497 215 S HA 0.089 4.558 4.470 -0.001 0.000 0.221 215 S C 2.328 176.990 174.600 0.103 0.000 1.037 215 S CA -0.320 57.925 58.200 0.073 0.000 0.920 215 S CB 0.200 63.570 63.200 0.283 0.000 0.800 215 S HN 0.427 nan 8.310 nan 0.000 0.505 216 R N 1.957 122.450 120.500 -0.013 0.000 2.096 216 R HA -0.104 4.236 4.340 -0.001 0.000 0.240 216 R C 1.086 177.164 176.300 -0.371 0.000 1.139 216 R CA 1.748 57.738 56.100 -0.183 0.000 0.952 216 R CB -0.608 29.619 30.300 -0.122 0.000 0.854 216 R HN 0.279 nan 8.270 nan 0.000 0.436 217 D N 0.898 121.159 120.400 -0.231 0.000 2.310 217 D HA -0.067 4.573 4.640 -0.001 0.000 0.212 217 D C 1.596 177.749 176.300 -0.244 0.000 0.965 217 D CA 0.792 54.654 54.000 -0.230 0.000 0.879 217 D CB -0.082 40.610 40.800 -0.180 0.000 0.921 217 D HN 0.242 nan 8.370 nan 0.000 0.510 218 L N -0.233 120.884 121.223 -0.176 0.000 2.610 218 L HA 0.096 4.435 4.340 -0.001 0.000 0.232 218 L C 0.052 177.042 176.870 0.200 0.000 1.149 218 L CA 0.054 54.858 54.840 -0.061 0.000 0.872 218 L CB -0.510 41.556 42.059 0.013 0.000 0.992 218 L HN -0.009 nan 8.230 nan 0.000 0.447 219 F N -4.475 115.461 119.950 -0.023 0.000 2.817 219 F HA 0.490 5.017 4.527 -0.001 0.000 0.317 219 F C 0.329 176.139 175.800 0.016 0.000 1.168 219 F CA -1.336 56.670 58.000 0.010 0.000 0.911 219 F CB 1.140 40.139 39.000 -0.001 0.000 1.337 219 F HN -0.415 nan 8.300 nan 0.000 0.464 220 R N 0.422 121.015 120.500 0.155 0.000 2.102 220 R HA 0.519 4.858 4.340 -0.001 0.000 0.208 220 R C -0.119 176.246 176.300 0.108 0.000 1.131 220 R CA 0.748 56.863 56.100 0.026 0.000 1.054 220 R CB 0.415 30.726 30.300 0.018 0.000 0.954 220 R HN 0.743 nan 8.270 nan 0.000 0.465 221 R N -1.219 119.450 120.500 0.282 0.000 2.855 221 R HA 0.730 5.070 4.340 -0.001 0.000 0.266 221 R C -1.641 174.879 176.300 0.367 0.000 1.034 221 R CA -0.720 55.514 56.100 0.224 0.000 0.944 221 R CB 2.285 32.525 30.300 -0.100 0.000 1.219 221 R HN 0.209 nan 8.270 nan 0.000 0.474 222 A N 1.575 124.614 122.820 0.365 0.000 2.486 222 A HA 0.668 4.987 4.320 -0.001 0.000 0.300 222 A C -1.155 176.573 177.584 0.239 0.000 1.048 222 A CA -0.594 51.596 52.037 0.253 0.000 0.696 222 A CB 1.273 20.381 19.000 0.180 0.000 1.278 222 A HN 0.569 nan 8.150 nan 0.000 0.405 223 I N 1.708 122.372 120.570 0.156 0.000 2.474 223 I HA 0.441 4.610 4.170 -0.001 0.000 0.294 223 I C -1.379 174.782 176.117 0.074 0.000 1.005 223 I CA -0.784 60.521 61.300 0.008 0.000 1.113 223 I CB 1.989 39.976 38.000 -0.021 0.000 1.289 223 I HN 0.488 nan 8.210 nan 0.000 0.436 224 L N 6.517 127.754 121.223 0.023 0.000 2.372 224 L HA 0.357 4.697 4.340 -0.001 0.000 0.274 224 L C -0.427 176.522 176.870 0.132 0.000 0.988 224 L CA -0.433 54.421 54.840 0.024 0.000 0.833 224 L CB 1.639 43.636 42.059 -0.104 0.000 1.236 224 L HN 0.478 nan 8.230 nan 0.000 0.410 225 Q N 1.271 121.199 119.800 0.213 0.000 2.325 225 Q HA 0.499 4.838 4.340 -0.001 0.000 0.262 225 Q C -0.237 175.868 176.000 0.174 0.000 0.968 225 Q CA -0.630 55.349 55.803 0.293 0.000 0.877 225 Q CB 1.579 30.617 28.738 0.500 0.000 1.253 225 Q HN 0.563 nan 8.270 nan 0.000 0.448 226 S N 0.735 116.532 115.700 0.161 0.000 3.631 226 S HA -0.104 4.366 4.470 -0.001 0.000 0.366 226 S C 0.045 174.778 174.600 0.221 0.000 0.993 226 S CA 0.807 59.120 58.200 0.189 0.000 1.167 226 S CB -1.475 61.857 63.200 0.220 0.000 0.909 226 S HN 1.139 nan 8.310 nan 0.000 0.478 227 G N -0.714 108.149 108.800 0.107 0.000 2.616 227 G HA2 0.615 4.574 3.960 -0.001 0.000 0.294 227 G HA3 0.615 4.574 3.960 -0.001 0.000 0.294 227 G C -1.294 173.527 174.900 -0.130 0.000 1.489 227 G CA 0.254 45.412 45.100 0.097 0.000 0.836 227 G HN 0.611 nan 8.290 nan 0.000 0.527 228 S N 0.519 116.062 115.700 -0.261 0.000 2.537 228 S HA 0.736 5.205 4.470 -0.001 0.000 0.271 228 S C -2.114 172.193 174.600 -0.489 0.000 1.148 228 S CA -0.878 57.030 58.200 -0.488 0.000 0.868 228 S CB 2.475 65.450 63.200 -0.375 0.000 1.115 228 S HN 0.358 nan 8.310 nan 0.000 0.461 229 P HA -0.014 nan 4.420 nan 0.000 0.225 229 P C 0.386 177.486 177.300 -0.333 0.000 1.156 229 P CA 0.801 63.704 63.100 -0.327 0.000 0.787 229 P CB -0.612 30.969 31.700 -0.198 0.000 0.802 230 N N -1.247 117.279 118.700 -0.288 0.000 2.362 230 N HA 0.055 4.794 4.740 -0.001 0.000 0.211 230 N C -0.159 175.118 175.510 -0.388 0.000 1.170 230 N CA -0.414 52.489 53.050 -0.246 0.000 0.828 230 N CB -0.633 37.827 38.487 -0.045 0.000 1.034 230 N HN -0.099 nan 8.380 nan 0.000 0.475 231 C N 1.963 120.887 119.300 -0.627 0.000 2.601 231 C HA 0.212 4.671 4.460 -0.001 0.000 0.409 231 C C -0.472 173.967 174.990 -0.918 0.000 1.293 231 C CA -1.247 57.241 59.018 -0.883 0.000 2.101 231 C CB 1.241 28.088 27.740 -1.489 0.000 2.639 231 C HN 0.434 nan 8.230 nan 0.000 0.592 232 P HA -0.070 nan 4.420 nan 0.000 0.231 232 P C 0.801 177.910 177.300 -0.318 0.000 1.158 232 P CA 1.400 64.234 63.100 -0.444 0.000 0.763 232 P CB -0.047 31.444 31.700 -0.348 0.000 0.805 233 W N -2.195 118.987 121.300 -0.197 0.000 3.123 233 W HA 0.685 5.345 4.660 -0.001 0.000 0.383 233 W C 0.487 177.047 176.519 0.068 0.000 1.102 233 W CA 0.110 57.412 57.345 -0.071 0.000 1.865 233 W CB -0.599 28.847 29.460 -0.024 0.000 1.111 233 W HN -0.100 nan 8.180 nan 0.000 0.621 234 A N 1.077 123.745 122.820 -0.254 0.000 2.324 234 A HA 0.296 4.616 4.320 -0.001 0.000 0.220 234 A C 0.815 178.202 177.584 -0.329 0.000 1.209 234 A CA 0.754 52.669 52.037 -0.203 0.000 0.918 234 A CB -0.280 18.329 19.000 -0.651 0.000 0.959 234 A HN 0.124 nan 8.150 nan 0.000 0.507 235 S N -0.975 114.536 115.700 -0.315 0.000 2.579 235 S HA 0.733 5.203 4.470 -0.001 0.000 0.272 235 S C -0.714 173.740 174.600 -0.245 0.000 1.141 235 S CA -0.005 57.993 58.200 -0.337 0.000 0.843 235 S CB 1.459 64.401 63.200 -0.430 0.000 1.122 235 S HN 1.362 nan 8.310 nan 0.000 0.468 236 V N -0.918 118.868 119.914 -0.214 0.000 3.160 236 V HA 0.923 5.042 4.120 -0.001 0.000 0.310 236 V C 0.235 176.236 176.094 -0.155 0.000 1.181 236 V CA -0.463 61.735 62.300 -0.170 0.000 1.047 236 V CB 1.080 32.818 31.823 -0.142 0.000 1.068 236 V HN 1.512 nan 8.190 nan 0.000 0.441 237 S N 0.598 116.217 115.700 -0.134 0.000 2.589 237 S HA 0.249 4.719 4.470 -0.001 0.000 0.265 237 S C 1.275 175.809 174.600 -0.110 0.000 1.342 237 S CA 0.175 58.304 58.200 -0.119 0.000 1.005 237 S CB 1.248 64.388 63.200 -0.100 0.000 0.909 237 S HN 2.229 nan 8.310 nan 0.000 0.555 238 V N 0.325 120.160 119.914 -0.131 0.000 2.515 238 V HA 0.062 4.182 4.120 -0.001 0.000 0.250 238 V C 2.510 178.556 176.094 -0.079 0.000 1.058 238 V CA 1.799 64.011 62.300 -0.146 0.000 1.064 238 V CB -1.790 29.823 31.823 -0.349 0.000 0.675 238 V HN 1.058 nan 8.190 nan 0.000 0.461 239 A N 0.660 123.437 122.820 -0.072 0.000 1.865 239 A HA -0.270 4.049 4.320 -0.001 0.000 0.217 239 A C 2.202 179.756 177.584 -0.050 0.000 1.191 239 A CA 2.371 54.381 52.037 -0.044 0.000 0.623 239 A CB -0.850 18.125 19.000 -0.041 0.000 0.826 239 A HN 0.727 nan 8.150 nan 0.000 0.444 240 E N -0.087 120.070 120.200 -0.072 0.000 2.051 240 E HA -0.062 4.288 4.350 -0.001 0.000 0.192 240 E C 1.996 178.550 176.600 -0.076 0.000 0.991 240 E CA 1.762 58.108 56.400 -0.091 0.000 0.799 240 E CB -0.883 28.746 29.700 -0.119 0.000 0.748 240 E HN 0.395 nan 8.360 nan 0.000 0.449 241 G N 0.583 109.350 108.800 -0.054 0.000 2.442 241 G HA2 -0.367 3.592 3.960 -0.001 0.000 0.219 241 G HA3 -0.367 3.592 3.960 -0.001 0.000 0.219 241 G C 1.708 176.618 174.900 0.016 0.000 1.141 241 G CA 1.018 46.114 45.100 -0.007 0.000 0.763 241 G HN 0.353 nan 8.290 nan 0.000 0.554 242 R N 0.239 120.741 120.500 0.003 0.000 2.088 242 R HA -0.032 4.308 4.340 -0.001 0.000 0.232 242 R C 2.540 178.840 176.300 -0.000 0.000 1.136 242 R CA 1.583 57.690 56.100 0.012 0.000 0.926 242 R CB -0.589 29.721 30.300 0.017 0.000 0.837 242 R HN 0.217 nan 8.270 nan 0.000 0.429 243 R N 0.466 120.955 120.500 -0.020 0.000 2.159 243 R HA -0.224 4.115 4.340 -0.001 0.000 0.249 243 R C 2.264 178.543 176.300 -0.036 0.000 1.136 243 R CA 2.528 58.608 56.100 -0.034 0.000 0.951 243 R CB -0.266 29.999 30.300 -0.059 0.000 0.876 243 R HN 0.390 nan 8.270 nan 0.000 0.440 244 R N -0.832 119.639 120.500 -0.048 0.000 2.148 244 R HA -0.023 4.316 4.340 -0.001 0.000 0.223 244 R C 2.206 178.549 176.300 0.072 0.000 1.088 244 R CA 0.992 57.059 56.100 -0.055 0.000 0.985 244 R CB -0.116 30.073 30.300 -0.183 0.000 0.880 244 R HN 0.264 nan 8.270 nan 0.000 0.451 245 A N 0.756 123.634 122.820 0.097 0.000 1.930 245 A HA -0.071 4.249 4.320 -0.001 0.000 0.215 245 A C 2.228 179.827 177.584 0.026 0.000 1.176 245 A CA 1.139 53.231 52.037 0.091 0.000 0.632 245 A CB -0.426 18.582 19.000 0.014 0.000 0.819 245 A HN 0.223 nan 8.150 nan 0.000 0.445 246 V N -0.374 119.548 119.914 0.012 0.000 2.453 246 V HA -0.156 3.964 4.120 -0.001 0.000 0.247 246 V C 2.145 178.247 176.094 0.012 0.000 1.048 246 V CA 2.909 65.211 62.300 0.004 0.000 1.049 246 V CB -0.468 31.356 31.823 0.001 0.000 0.672 246 V HN 0.517 nan 8.190 nan 0.000 0.457 247 E N 0.387 120.594 120.200 0.012 0.000 2.097 247 E HA -0.240 4.110 4.350 -0.001 0.000 0.196 247 E C 1.928 178.550 176.600 0.036 0.000 1.000 247 E CA 2.060 58.468 56.400 0.013 0.000 0.804 247 E CB -0.733 28.960 29.700 -0.011 0.000 0.740 247 E HN 0.627 nan 8.360 nan 0.000 0.454 248 L N -0.086 121.178 121.223 0.068 0.000 2.043 248 L HA -0.098 4.242 4.340 -0.001 0.000 0.212 248 L C 2.193 179.089 176.870 0.044 0.000 1.075 248 L CA 2.478 57.369 54.840 0.085 0.000 0.752 248 L CB -1.110 41.022 42.059 0.122 0.000 0.891 248 L HN 0.263 nan 8.230 nan 0.000 0.432 249 G N -1.183 107.630 108.800 0.023 0.000 2.440 249 G HA2 -0.290 3.670 3.960 -0.001 0.000 0.218 249 G HA3 -0.290 3.670 3.960 -0.001 0.000 0.218 249 G C 1.795 176.712 174.900 0.028 0.000 1.154 249 G CA 0.808 45.919 45.100 0.017 0.000 0.767 249 G HN 0.368 nan 8.290 nan 0.000 0.552 250 R N 0.520 121.037 120.500 0.028 0.000 2.083 250 R HA -0.065 4.275 4.340 -0.001 0.000 0.237 250 R C 2.103 178.424 176.300 0.036 0.000 1.137 250 R CA 1.500 57.618 56.100 0.029 0.000 0.951 250 R CB -0.401 29.914 30.300 0.025 0.000 0.851 250 R HN 0.501 nan 8.270 nan 0.000 0.434 251 N N 0.424 119.150 118.700 0.043 0.000 2.521 251 N HA -0.063 4.677 4.740 -0.001 0.000 0.188 251 N C 0.856 176.398 175.510 0.053 0.000 1.146 251 N CA 0.435 53.515 53.050 0.050 0.000 0.893 251 N CB 0.234 38.758 38.487 0.061 0.000 0.975 251 N HN 0.223 nan 8.380 nan 0.000 0.451 252 L N 0.172 121.424 121.223 0.049 0.000 2.766 252 L HA 0.211 4.551 4.340 -0.001 0.000 0.242 252 L C -0.166 176.731 176.870 0.045 0.000 1.136 252 L CA -0.127 54.743 54.840 0.050 0.000 0.933 252 L CB 0.038 42.128 42.059 0.052 0.000 1.241 252 L HN 0.004 nan 8.230 nan 0.000 0.522 253 N N -0.460 118.264 118.700 0.041 0.000 2.783 253 N HA -0.150 4.589 4.740 -0.001 0.000 0.247 253 N C -0.418 175.116 175.510 0.040 0.000 1.089 253 N CA 0.525 53.598 53.050 0.038 0.000 0.690 253 N CB -2.011 36.499 38.487 0.038 0.000 0.991 253 N HN 0.249 nan 8.380 nan 0.000 0.552 254 c N 0.656 119.280 118.600 0.040 0.000 2.443 254 c HA 0.283 4.852 4.570 -0.001 0.000 0.369 254 c C 1.487 175.600 174.090 0.037 0.000 1.241 254 c CA -1.051 55.305 56.329 0.045 0.000 2.413 254 c CB 0.775 43.313 42.510 0.047 0.000 2.451 254 c HN 0.391 nan 8.230 nan 0.000 0.595 255 N N 1.243 119.968 118.700 0.042 0.000 2.365 255 N HA 0.016 4.756 4.740 -0.001 0.000 0.265 255 N C -0.668 174.859 175.510 0.028 0.000 1.288 255 N CA 0.499 53.569 53.050 0.033 0.000 0.869 255 N CB 0.314 38.823 38.487 0.038 0.000 1.071 255 N HN 0.544 nan 8.380 nan 0.000 0.480 256 L N 3.293 124.528 121.223 0.021 0.000 3.030 256 L HA 0.293 4.632 4.340 -0.001 0.000 0.252 256 L C 1.361 178.239 176.870 0.013 0.000 1.316 256 L CA -0.388 54.462 54.840 0.016 0.000 0.975 256 L CB -0.002 42.065 42.059 0.013 0.000 1.357 256 L HN 0.491 nan 8.230 nan 0.000 0.534 257 N N 0.057 118.765 118.700 0.014 0.000 2.420 257 N HA 0.061 4.801 4.740 -0.001 0.000 0.185 257 N C 0.539 176.054 175.510 0.008 0.000 1.033 257 N CA 0.550 53.606 53.050 0.010 0.000 0.879 257 N CB 0.621 39.112 38.487 0.008 0.000 1.071 257 N HN 0.439 nan 8.380 nan 0.000 0.437 258 S N 0.206 115.912 115.700 0.009 0.000 2.638 258 S HA 0.315 4.785 4.470 -0.001 0.000 0.298 258 S C 0.217 174.824 174.600 0.013 0.000 1.111 258 S CA -0.785 57.420 58.200 0.009 0.000 1.027 258 S CB 1.946 65.150 63.200 0.007 0.000 1.064 258 S HN -0.032 nan 8.310 nan 0.000 0.525 259 D N 1.132 121.538 120.400 0.010 0.000 2.133 259 D HA -0.149 4.491 4.640 -0.001 0.000 0.192 259 D C 1.754 178.066 176.300 0.021 0.000 1.001 259 D CA 1.419 55.424 54.000 0.008 0.000 0.844 259 D CB -0.174 40.628 40.800 0.004 0.000 0.944 259 D HN 0.596 nan 8.370 nan 0.000 0.447 260 E N 0.422 120.637 120.200 0.024 0.000 2.136 260 E HA -0.225 4.125 4.350 -0.001 0.000 0.202 260 E C 1.989 178.626 176.600 0.062 0.000 1.019 260 E CA 1.157 57.579 56.400 0.037 0.000 0.819 260 E CB -0.124 29.588 29.700 0.020 0.000 0.739 260 E HN 0.529 nan 8.360 nan 0.000 0.458 261 E N -0.068 120.162 120.200 0.050 0.000 2.190 261 E HA 0.026 4.376 4.350 -0.001 0.000 0.191 261 E C 2.285 178.945 176.600 0.100 0.000 0.978 261 E CA -0.140 56.304 56.400 0.073 0.000 0.839 261 E CB 0.061 29.781 29.700 0.033 0.000 0.787 261 E HN 0.131 nan 8.360 nan 0.000 0.473 262 L N 0.937 122.193 121.223 0.056 0.000 1.956 262 L HA -0.269 4.071 4.340 -0.001 0.000 0.216 262 L C 2.285 179.182 176.870 0.045 0.000 1.073 262 L CA 1.513 56.373 54.840 0.034 0.000 0.762 262 L CB -0.228 41.829 42.059 -0.002 0.000 0.889 262 L HN 0.191 nan 8.230 nan 0.000 0.433 263 I N -1.056 119.540 120.570 0.044 0.000 2.208 263 I HA -0.378 3.791 4.170 -0.001 0.000 0.245 263 I C 2.462 178.667 176.117 0.146 0.000 1.097 263 I CA 1.627 62.972 61.300 0.075 0.000 1.363 263 I CB -0.483 37.563 38.000 0.075 0.000 1.051 263 I HN 0.391 nan 8.210 nan 0.000 0.413 264 H N -0.084 119.027 119.070 0.068 0.000 2.319 264 H HA -0.276 4.280 4.556 -0.001 0.000 0.297 264 H C 2.418 177.790 175.328 0.074 0.000 1.097 264 H CA 2.397 58.486 56.048 0.067 0.000 1.285 264 H CB -0.390 29.398 29.762 0.044 0.000 1.368 264 H HN 0.485 nan 8.280 nan 0.000 0.495 265 c N 0.085 118.760 118.600 0.125 0.000 2.442 265 c HA -0.097 4.473 4.570 -0.001 0.000 0.279 265 c C 2.789 176.901 174.090 0.037 0.000 1.237 265 c CA 1.158 57.529 56.329 0.069 0.000 1.722 265 c CB -1.409 41.162 42.510 0.101 0.000 2.056 265 c HN 0.695 nan 8.230 nan 0.000 0.469 266 L N 0.149 121.422 121.223 0.083 0.000 2.191 266 L HA -0.105 4.235 4.340 -0.001 0.000 0.212 266 L C 2.903 179.894 176.870 0.203 0.000 1.103 266 L CA 1.347 56.269 54.840 0.136 0.000 0.769 266 L CB -0.692 41.427 42.059 0.099 0.000 0.908 266 L HN 0.379 nan 8.230 nan 0.000 0.438 267 R N -0.305 120.286 120.500 0.152 0.000 2.193 267 R HA -0.135 4.205 4.340 -0.001 0.000 0.213 267 R C 2.040 178.312 176.300 -0.046 0.000 1.055 267 R CA 0.601 56.729 56.100 0.047 0.000 0.995 267 R CB 0.113 30.420 30.300 0.011 0.000 0.893 267 R HN 0.224 nan 8.270 nan 0.000 0.459 268 E N 0.795 120.945 120.200 -0.084 0.000 2.216 268 E HA -0.049 4.301 4.350 -0.001 0.000 0.192 268 E C -0.231 176.361 176.600 -0.014 0.000 0.988 268 E CA 0.900 57.245 56.400 -0.091 0.000 0.834 268 E CB 0.246 29.878 29.700 -0.113 0.000 0.772 268 E HN -0.140 nan 8.360 nan 0.000 0.479 269 K N 1.118 121.534 120.400 0.026 0.000 2.295 269 K HA 0.147 4.466 4.320 -0.001 0.000 0.270 269 K C -0.345 176.299 176.600 0.072 0.000 1.011 269 K CA -0.004 56.316 56.287 0.055 0.000 0.953 269 K CB 0.714 33.259 32.500 0.075 0.000 0.956 269 K HN -0.065 nan 8.250 nan 0.000 0.477 270 K N 3.219 123.663 120.400 0.073 0.000 2.336 270 K HA 0.004 4.324 4.320 -0.001 0.000 0.262 270 K C -1.526 175.159 176.600 0.142 0.000 0.992 270 K CA -1.194 55.141 56.287 0.079 0.000 0.927 270 K CB 0.192 32.732 32.500 0.067 0.000 0.956 270 K HN 0.378 nan 8.250 nan 0.000 0.495 271 P HA -0.201 nan 4.420 nan 0.000 0.216 271 P C 0.926 178.418 177.300 0.319 0.000 1.150 271 P CA 1.326 64.608 63.100 0.303 0.000 0.837 271 P CB 0.280 31.994 31.700 0.023 0.000 0.786 272 Q N 0.431 120.339 119.800 0.180 0.000 2.436 272 Q HA -0.131 4.209 4.340 -0.001 0.000 0.209 272 Q C 1.722 177.826 176.000 0.174 0.000 0.965 272 Q CA 1.245 57.153 55.803 0.174 0.000 0.910 272 Q CB -0.604 28.200 28.738 0.110 0.000 0.980 272 Q HN 0.381 nan 8.270 nan 0.000 0.491 273 E N -0.886 119.409 120.200 0.158 0.000 2.276 273 E HA -0.046 4.303 4.350 -0.001 0.000 0.193 273 E C 1.406 178.088 176.600 0.137 0.000 0.983 273 E CA 0.059 56.537 56.400 0.131 0.000 0.861 273 E CB 0.116 29.877 29.700 0.102 0.000 0.817 273 E HN 0.245 nan 8.360 nan 0.000 0.485 274 L N 1.393 122.702 121.223 0.144 0.000 1.994 274 L HA -0.159 4.181 4.340 -0.001 0.000 0.208 274 L C 2.476 179.432 176.870 0.143 0.000 1.071 274 L CA 1.541 56.429 54.840 0.080 0.000 0.745 274 L CB -1.077 40.935 42.059 -0.079 0.000 0.892 274 L HN 0.215 nan 8.230 nan 0.000 0.431 275 I N -0.036 120.677 120.570 0.238 0.000 2.163 275 I HA -0.315 3.854 4.170 -0.001 0.000 0.243 275 I C 2.152 178.463 176.117 0.324 0.000 1.085 275 I CA 1.385 62.877 61.300 0.319 0.000 1.347 275 I CB -0.757 37.459 38.000 0.360 0.000 1.044 275 I HN 0.275 nan 8.210 nan 0.000 0.408 276 D N 0.809 121.362 120.400 0.254 0.000 2.190 276 D HA -0.135 4.505 4.640 -0.001 0.000 0.200 276 D C 1.912 178.360 176.300 0.246 0.000 0.992 276 D CA 1.593 55.736 54.000 0.239 0.000 0.854 276 D CB 0.042 40.942 40.800 0.167 0.000 0.936 276 D HN 0.440 nan 8.370 nan 0.000 0.462 277 V N -2.078 117.963 119.914 0.212 0.000 3.528 277 V HA 0.164 4.283 4.120 -0.001 0.000 0.294 277 V C 1.889 178.093 176.094 0.184 0.000 1.404 277 V CA 0.390 62.802 62.300 0.186 0.000 1.065 277 V CB 0.237 32.141 31.823 0.134 0.000 0.904 277 V HN -0.003 nan 8.190 nan 0.000 0.435 278 E N 1.172 121.488 120.200 0.193 0.000 2.086 278 E HA -0.297 4.053 4.350 -0.001 0.000 0.200 278 E C 1.655 178.215 176.600 -0.067 0.000 1.012 278 E CA 2.594 59.061 56.400 0.112 0.000 0.812 278 E CB -0.534 29.225 29.700 0.099 0.000 0.743 278 E HN 0.696 nan 8.360 nan 0.000 0.453 279 W N 1.185 122.499 121.300 0.024 0.000 2.421 279 W HA -0.060 4.600 4.660 -0.001 0.000 0.270 279 W C 1.843 178.336 176.519 -0.044 0.000 1.233 279 W CA 0.733 58.044 57.345 -0.056 0.000 1.226 279 W CB -0.262 29.139 29.460 -0.098 0.000 1.121 279 W HN 0.165 nan 8.180 nan 0.000 0.579 280 N N 0.170 118.974 118.700 0.172 0.000 2.453 280 N HA -0.116 4.624 4.740 -0.001 0.000 0.183 280 N C 1.715 177.240 175.510 0.025 0.000 1.041 280 N CA 1.599 54.707 53.050 0.096 0.000 0.900 280 N CB -0.758 37.783 38.487 0.089 0.000 0.961 280 N HN 0.266 nan 8.380 nan 0.000 0.443 281 V N -2.178 117.715 119.914 -0.036 0.000 3.541 281 V HA 0.140 4.259 4.120 -0.001 0.000 0.267 281 V C 0.962 176.964 176.094 -0.154 0.000 1.213 281 V CA -0.052 62.187 62.300 -0.102 0.000 1.149 281 V CB -0.428 31.295 31.823 -0.167 0.000 0.822 281 V HN 0.002 nan 8.190 nan 0.000 0.462 282 L N 1.903 123.052 121.223 -0.123 0.000 2.514 282 L HA 0.162 4.501 4.340 -0.001 0.000 0.280 282 L C -0.907 175.874 176.870 -0.147 0.000 1.223 282 L CA -0.181 54.576 54.840 -0.137 0.000 0.864 282 L CB 0.696 42.738 42.059 -0.029 0.000 1.118 282 L HN 0.255 nan 8.230 nan 0.000 0.494 283 P HA 0.083 nan 4.420 nan 0.000 0.240 283 P C -0.758 176.410 177.300 -0.220 0.000 1.190 283 P CA 0.726 63.568 63.100 -0.429 0.000 0.781 283 P CB 0.355 31.489 31.700 -0.943 0.000 0.931 284 F N -0.764 119.182 119.950 -0.008 0.000 2.604 284 F HA 0.259 4.786 4.527 -0.001 0.000 0.316 284 F C -0.194 175.606 175.800 0.000 0.000 1.136 284 F CA -2.427 55.572 58.000 -0.002 0.000 0.989 284 F CB 0.814 39.817 39.000 0.005 0.000 1.258 284 F HN -0.357 nan 8.300 nan 0.000 0.451 285 D N 2.039 122.564 120.400 0.209 0.000 2.371 285 D HA 0.464 5.103 4.640 -0.001 0.000 0.256 285 D C -0.320 176.036 176.300 0.093 0.000 1.193 285 D CA 0.699 54.764 54.000 0.108 0.000 0.881 285 D CB 0.780 41.611 40.800 0.052 0.000 1.143 285 D HN 0.583 nan 8.370 nan 0.000 0.473 286 S N 2.545 118.293 115.700 0.079 0.000 2.688 286 S HA 0.740 5.210 4.470 -0.001 0.000 0.275 286 S C -0.372 174.245 174.600 0.028 0.000 1.175 286 S CA -0.991 57.247 58.200 0.064 0.000 0.818 286 S CB 0.678 63.947 63.200 0.115 0.000 1.157 286 S HN 0.504 nan 8.310 nan 0.000 0.482 287 I N -3.377 117.204 120.570 0.018 0.000 2.892 287 I HA 0.784 4.953 4.170 -0.001 0.000 0.306 287 I C -0.421 175.697 176.117 0.001 0.000 1.078 287 I CA -1.159 60.145 61.300 0.007 0.000 1.032 287 I CB 1.350 39.366 38.000 0.026 0.000 1.229 287 I HN 0.742 nan 8.210 nan 0.000 0.435 288 F N 2.085 121.868 119.950 -0.278 0.000 3.067 288 F HA -0.190 4.337 4.527 -0.001 0.000 0.279 288 F C -0.317 174.989 175.800 -0.823 0.000 0.945 288 F CA 0.646 58.241 58.000 -0.675 0.000 0.948 288 F CB -0.631 37.939 39.000 -0.717 0.000 0.898 288 F HN 0.591 nan 8.300 nan 0.000 0.746 289 R N 0.280 120.382 120.500 -0.663 0.000 2.744 289 R HA 0.695 5.034 4.340 -0.001 0.000 0.279 289 R C -0.827 174.929 176.300 -0.907 0.000 0.977 289 R CA -0.606 55.111 56.100 -0.639 0.000 0.906 289 R CB 1.660 31.859 30.300 -0.168 0.000 1.197 289 R HN 0.022 nan 8.270 nan 0.000 0.463 290 F N -1.074 118.909 119.950 0.054 0.000 2.577 290 F HA 0.373 4.899 4.527 -0.001 0.000 0.318 290 F C 1.567 177.193 175.800 -0.290 0.000 1.065 290 F CA -0.837 57.072 58.000 -0.151 0.000 0.929 290 F CB 1.591 40.594 39.000 0.004 0.000 1.237 290 F HN 0.355 nan 8.300 nan 0.000 0.468 291 S N 0.383 115.870 115.700 -0.355 0.000 2.349 291 S HA -0.021 4.448 4.470 -0.001 0.000 0.216 291 S C 0.071 174.208 174.600 -0.772 0.000 1.033 291 S CA 1.196 58.993 58.200 -0.671 0.000 1.021 291 S CB -0.226 62.442 63.200 -0.886 0.000 0.968 291 S HN 0.363 nan 8.310 nan 0.000 0.426 292 F N 0.437 120.362 119.950 -0.041 0.000 2.436 292 F HA 0.673 5.200 4.527 -0.001 0.000 0.340 292 F C -0.210 175.529 175.800 -0.102 0.000 1.113 292 F CA -0.564 57.441 58.000 0.009 0.000 1.022 292 F CB 1.555 40.615 39.000 0.100 0.000 1.128 292 F HN -0.129 nan 8.300 nan 0.000 0.466 293 V N 3.619 123.493 119.914 -0.066 0.000 3.098 293 V HA 0.307 4.427 4.120 -0.001 0.000 0.294 293 V C -2.442 173.373 176.094 -0.465 0.000 1.351 293 V CA -2.149 59.819 62.300 -0.553 0.000 0.999 293 V CB 2.813 34.489 31.823 -0.245 0.000 1.104 293 V HN 0.402 nan 8.190 nan 0.000 0.438 294 P HA -0.002 nan 4.420 nan 0.000 0.261 294 P C -0.867 176.335 177.300 -0.163 0.000 1.165 294 P CA 0.667 63.603 63.100 -0.274 0.000 0.759 294 P CB 0.370 31.822 31.700 -0.414 0.000 0.772 295 V N 5.677 125.594 119.914 0.006 0.000 2.630 295 V HA 0.270 4.389 4.120 -0.001 0.000 0.305 295 V C 0.204 176.323 176.094 0.041 0.000 1.046 295 V CA -0.819 61.470 62.300 -0.018 0.000 0.934 295 V CB 1.402 33.240 31.823 0.026 0.000 1.003 295 V HN 0.266 nan 8.190 nan 0.000 0.451 296 I N 6.231 126.761 120.570 -0.068 0.000 2.268 296 I HA 0.164 4.334 4.170 -0.001 0.000 0.298 296 I C 1.079 177.238 176.117 0.070 0.000 1.185 296 I CA 0.009 61.295 61.300 -0.022 0.000 1.548 296 I CB -0.389 37.514 38.000 -0.161 0.000 1.492 296 I HN 0.758 nan 8.210 nan 0.000 0.711 297 D N 2.347 122.867 120.400 0.201 0.000 2.347 297 D HA -0.005 4.635 4.640 -0.001 0.000 0.213 297 D C 1.537 177.914 176.300 0.127 0.000 0.985 297 D CA 0.881 54.928 54.000 0.078 0.000 0.879 297 D CB 0.298 41.214 40.800 0.193 0.000 0.919 297 D HN 0.574 nan 8.370 nan 0.000 0.526 298 G N 0.455 109.367 108.800 0.186 0.000 2.234 298 G HA2 -0.394 3.565 3.960 -0.001 0.000 0.260 298 G HA3 -0.394 3.565 3.960 -0.001 0.000 0.260 298 G C 0.869 175.854 174.900 0.142 0.000 0.987 298 G CA 0.609 45.801 45.100 0.154 0.000 0.625 298 G HN 0.498 nan 8.290 nan 0.000 0.532 299 E N -1.128 119.169 120.200 0.162 0.000 2.182 299 E HA 0.281 4.631 4.350 -0.001 0.000 0.195 299 E C 1.994 178.618 176.600 0.039 0.000 0.933 299 E CA -0.093 56.367 56.400 0.100 0.000 0.940 299 E CB 0.087 29.859 29.700 0.121 0.000 0.945 299 E HN 0.310 nan 8.360 nan 0.000 0.477 300 F N 0.882 120.773 119.950 -0.100 0.000 2.043 300 F HA -0.173 4.353 4.527 -0.001 0.000 0.297 300 F C 0.417 175.921 175.800 -0.494 0.000 1.118 300 F CA 1.496 59.288 58.000 -0.346 0.000 1.202 300 F CB 0.067 38.770 39.000 -0.495 0.000 0.965 300 F HN -0.064 nan 8.300 nan 0.000 0.482 301 F N 1.198 121.310 119.950 0.271 0.000 2.385 301 F HA 0.304 4.831 4.527 -0.001 0.000 0.360 301 F C -1.414 174.436 175.800 0.083 0.000 1.122 301 F CA -2.597 55.499 58.000 0.160 0.000 1.090 301 F CB 0.375 39.463 39.000 0.146 0.000 1.150 301 F HN -0.176 nan 8.300 nan 0.000 0.472 302 P HA -0.093 nan 4.420 nan 0.000 0.220 302 P C 0.583 177.953 177.300 0.117 0.000 1.148 302 P CA 1.241 64.403 63.100 0.102 0.000 0.803 302 P CB 0.553 32.285 31.700 0.053 0.000 0.782 303 T N -2.229 112.414 114.554 0.148 0.000 2.630 303 T HA 0.366 4.715 4.350 -0.001 0.000 0.300 303 T C -1.118 173.638 174.700 0.092 0.000 1.261 303 T CA -0.238 61.921 62.100 0.098 0.000 1.060 303 T CB 0.661 69.567 68.868 0.063 0.000 1.670 303 T HN -0.005 nan 8.240 nan 0.000 0.473 304 S N 1.065 116.793 115.700 0.047 0.000 2.592 304 S HA 0.341 4.811 4.470 -0.001 0.000 0.271 304 S C 1.395 176.009 174.600 0.023 0.000 1.326 304 S CA -0.532 57.673 58.200 0.009 0.000 1.024 304 S CB 0.621 63.813 63.200 -0.014 0.000 0.921 304 S HN 0.539 nan 8.310 nan 0.000 0.527 305 L N 1.268 122.469 121.223 -0.038 0.000 2.043 305 L HA -0.070 4.270 4.340 -0.001 0.000 0.212 305 L C 2.751 179.655 176.870 0.056 0.000 1.075 305 L CA 2.259 57.092 54.840 -0.011 0.000 0.752 305 L CB -1.194 40.798 42.059 -0.111 0.000 0.891 305 L HN 0.980 nan 8.230 nan 0.000 0.432 306 E N -0.896 119.327 120.200 0.039 0.000 2.072 306 E HA -0.138 4.212 4.350 -0.001 0.000 0.190 306 E C 2.293 178.955 176.600 0.104 0.000 0.982 306 E CA 1.443 57.894 56.400 0.085 0.000 0.803 306 E CB -0.203 29.532 29.700 0.057 0.000 0.755 306 E HN 0.524 nan 8.360 nan 0.000 0.453 307 S N -0.361 115.384 115.700 0.075 0.000 2.428 307 S HA -0.090 4.379 4.470 -0.001 0.000 0.230 307 S C 2.097 176.747 174.600 0.083 0.000 1.014 307 S CA 0.917 59.161 58.200 0.072 0.000 0.957 307 S CB -0.365 62.863 63.200 0.047 0.000 0.784 307 S HN 0.239 nan 8.310 nan 0.000 0.499 308 M N 1.084 120.748 119.600 0.107 0.000 2.080 308 M HA -0.037 4.443 4.480 -0.001 0.000 0.260 308 M C 2.239 178.673 176.300 0.223 0.000 1.068 308 M CA 1.575 56.962 55.300 0.145 0.000 1.109 308 M CB -0.766 31.951 32.600 0.194 0.000 1.342 308 M HN 0.311 nan 8.290 nan 0.000 0.405 309 L N 0.024 121.389 121.223 0.236 0.000 2.083 309 L HA -0.242 4.098 4.340 -0.001 0.000 0.209 309 L C 2.282 179.327 176.870 0.292 0.000 1.083 309 L CA 0.960 55.970 54.840 0.283 0.000 0.752 309 L CB -0.684 41.466 42.059 0.152 0.000 0.899 309 L HN 0.372 nan 8.230 nan 0.000 0.433 310 N N -0.266 118.546 118.700 0.187 0.000 2.166 310 N HA -0.112 4.627 4.740 -0.001 0.000 0.186 310 N C 1.339 176.946 175.510 0.162 0.000 1.019 310 N CA 1.566 54.720 53.050 0.174 0.000 0.856 310 N CB -0.004 38.554 38.487 0.119 0.000 0.993 310 N HN 0.301 nan 8.380 nan 0.000 0.426 311 S N -1.301 114.403 115.700 0.007 0.000 2.562 311 S HA 0.412 4.881 4.470 -0.001 0.000 0.246 311 S C 1.002 175.203 174.600 -0.664 0.000 1.056 311 S CA -0.085 58.010 58.200 -0.176 0.000 1.042 311 S CB 0.157 63.285 63.200 -0.119 0.000 0.822 311 S HN 0.336 nan 8.310 nan 0.000 0.465 312 G N 2.278 110.377 108.800 -1.170 0.000 2.296 312 G HA2 -0.342 3.617 3.960 -0.001 0.000 0.282 312 G HA3 -0.342 3.617 3.960 -0.001 0.000 0.282 312 G C 0.080 174.207 174.900 -1.289 0.000 1.014 312 G CA 0.318 44.236 45.100 -1.970 0.000 0.812 312 G HN 0.686 nan 8.290 nan 0.000 0.508 313 N N 0.452 118.812 118.700 -0.568 0.000 2.807 313 N HA 0.510 5.249 4.740 -0.001 0.000 0.259 313 N C -0.184 175.313 175.510 -0.022 0.000 1.149 313 N CA -0.412 52.463 53.050 -0.292 0.000 1.042 313 N CB -0.736 37.683 38.487 -0.112 0.000 1.367 313 N HN 0.713 nan 8.380 nan 0.000 0.516 314 F N -0.868 119.045 119.950 -0.062 0.000 2.799 314 F HA 0.379 4.906 4.527 -0.001 0.000 0.316 314 F C -0.561 175.273 175.800 0.057 0.000 1.155 314 F CA -1.381 56.647 58.000 0.047 0.000 0.916 314 F CB 0.592 39.681 39.000 0.148 0.000 1.294 314 F HN -0.108 nan 8.300 nan 0.000 0.447 315 K N 2.016 122.672 120.400 0.426 0.000 2.436 315 K HA 0.134 4.454 4.320 -0.001 0.000 0.282 315 K C -0.897 175.953 176.600 0.417 0.000 1.044 315 K CA -0.076 56.372 56.287 0.269 0.000 1.028 315 K CB 0.391 32.977 32.500 0.144 0.000 0.919 315 K HN 0.725 nan 8.250 nan 0.000 0.474 316 K N 3.347 123.875 120.400 0.213 0.000 2.231 316 K HA 0.079 4.398 4.320 -0.001 0.000 0.275 316 K C 0.180 176.908 176.600 0.212 0.000 1.105 316 K CA -0.322 56.104 56.287 0.232 0.000 0.931 316 K CB 1.475 34.014 32.500 0.064 0.000 1.296 316 K HN 0.553 nan 8.250 nan 0.000 0.446 317 T N 0.352 115.109 114.554 0.339 0.000 2.538 317 T HA 0.254 4.604 4.350 -0.001 0.000 0.237 317 T C -1.474 173.425 174.700 0.332 0.000 0.818 317 T CA -0.568 61.676 62.100 0.241 0.000 1.193 317 T CB 0.933 69.906 68.868 0.174 0.000 1.497 317 T HN 0.514 nan 8.240 nan 0.000 0.503 318 Q N 1.597 121.574 119.800 0.295 0.000 2.375 318 Q HA 0.620 4.959 4.340 -0.001 0.000 0.271 318 Q C -1.062 175.239 176.000 0.501 0.000 1.074 318 Q CA -0.952 55.084 55.803 0.387 0.000 0.808 318 Q CB 1.832 30.794 28.738 0.372 0.000 1.327 318 Q HN 0.877 nan 8.270 nan 0.000 0.441 319 I N -0.846 119.962 120.570 0.397 0.000 2.647 319 I HA 0.714 4.884 4.170 -0.001 0.000 0.295 319 I C -1.349 174.679 176.117 -0.148 0.000 1.078 319 I CA -1.305 60.105 61.300 0.184 0.000 1.048 319 I CB 2.345 40.314 38.000 -0.053 0.000 1.239 319 I HN 0.644 nan 8.210 nan 0.000 0.421 320 L N 7.204 128.086 121.223 -0.569 0.000 2.362 320 L HA 0.844 5.184 4.340 -0.001 0.000 0.275 320 L C -1.207 175.448 176.870 -0.358 0.000 0.998 320 L CA -0.553 53.846 54.840 -0.735 0.000 0.820 320 L CB 1.639 42.707 42.059 -1.651 0.000 1.270 320 L HN 0.880 nan 8.230 nan 0.000 0.415 321 L N 2.299 123.440 121.223 -0.135 0.000 2.838 321 L HA 1.073 5.413 4.340 -0.001 0.000 0.266 321 L C -1.008 175.679 176.870 -0.305 0.000 1.040 321 L CA -0.420 54.379 54.840 -0.069 0.000 0.906 321 L CB 1.754 43.756 42.059 -0.095 0.000 1.501 321 L HN 0.728 nan 8.230 nan 0.000 0.407 322 G N -0.025 108.482 108.800 -0.489 0.000 2.356 322 G HA2 0.574 4.533 3.960 -0.001 0.000 0.294 322 G HA3 0.574 4.533 3.960 -0.001 0.000 0.294 322 G C -1.681 172.954 174.900 -0.441 0.000 1.423 322 G CA -0.006 44.426 45.100 -1.113 0.000 0.806 322 G HN 1.546 nan 8.290 nan 0.000 0.527 323 V N -2.042 117.709 119.914 -0.272 0.000 2.876 323 V HA 0.760 4.879 4.120 -0.001 0.000 0.312 323 V C -0.282 175.864 176.094 0.086 0.000 1.085 323 V CA -1.315 61.003 62.300 0.029 0.000 0.945 323 V CB 1.557 33.425 31.823 0.075 0.000 1.017 323 V HN 0.824 nan 8.190 nan 0.000 0.428 324 N N 1.890 120.670 118.700 0.132 0.000 2.463 324 N HA 0.303 5.043 4.740 -0.001 0.000 0.270 324 N C 0.702 176.149 175.510 -0.106 0.000 1.205 324 N CA -0.661 52.439 53.050 0.083 0.000 0.974 324 N CB 1.205 39.827 38.487 0.226 0.000 1.197 324 N HN 0.849 nan 8.380 nan 0.000 0.504 325 K N 0.648 120.920 120.400 -0.214 0.000 2.097 325 K HA -0.090 4.230 4.320 -0.001 0.000 0.205 325 K C -0.624 176.042 176.600 0.109 0.000 1.050 325 K CA 1.255 57.440 56.287 -0.170 0.000 0.938 325 K CB 0.127 32.555 32.500 -0.120 0.000 0.718 325 K HN 0.592 nan 8.250 nan 0.000 0.442 326 D N 2.049 122.523 120.400 0.123 0.000 2.483 326 D HA 0.065 4.705 4.640 -0.001 0.000 0.281 326 D C 0.150 176.566 176.300 0.193 0.000 1.174 326 D CA -0.152 53.947 54.000 0.165 0.000 0.938 326 D CB 1.336 42.222 40.800 0.143 0.000 1.002 326 D HN 0.142 nan 8.370 nan 0.000 0.501 327 E N 0.596 120.928 120.200 0.219 0.000 2.268 327 E HA -0.078 4.272 4.350 -0.001 0.000 0.195 327 E C 1.938 178.719 176.600 0.303 0.000 0.995 327 E CA 0.344 56.914 56.400 0.284 0.000 0.836 327 E CB 0.264 30.128 29.700 0.274 0.000 0.763 327 E HN 0.459 nan 8.360 nan 0.000 0.491 328 G N 1.384 110.331 108.800 0.245 0.000 2.494 328 G HA2 -0.188 3.771 3.960 -0.001 0.000 0.216 328 G HA3 -0.188 3.771 3.960 -0.001 0.000 0.216 328 G C 1.797 176.831 174.900 0.223 0.000 1.140 328 G CA 0.811 46.060 45.100 0.250 0.000 0.801 328 G HN 0.343 nan 8.290 nan 0.000 0.536 329 S N 1.008 116.803 115.700 0.158 0.000 2.359 329 S HA -0.168 4.301 4.470 -0.001 0.000 0.224 329 S C 2.087 176.644 174.600 -0.071 0.000 1.035 329 S CA 1.250 59.497 58.200 0.078 0.000 1.018 329 S CB -0.706 62.478 63.200 -0.027 0.000 0.876 329 S HN 0.332 nan 8.310 nan 0.000 0.448 330 F N 2.250 122.021 119.950 -0.298 0.000 2.120 330 F HA -0.092 4.434 4.527 -0.001 0.000 0.300 330 F C 1.730 177.200 175.800 -0.549 0.000 1.095 330 F CA 1.253 58.923 58.000 -0.549 0.000 1.249 330 F CB -0.512 38.027 39.000 -0.769 0.000 0.995 330 F HN 0.134 nan 8.300 nan 0.000 0.480 331 F N 0.185 120.013 119.950 -0.202 0.000 2.113 331 F HA -0.141 4.385 4.527 -0.001 0.000 0.297 331 F C 2.220 177.861 175.800 -0.265 0.000 1.103 331 F CA 1.341 59.169 58.000 -0.287 0.000 1.248 331 F CB -1.002 37.833 39.000 -0.275 0.000 0.999 331 F HN -0.093 nan 8.300 nan 0.000 0.475 332 L N -0.278 120.850 121.223 -0.158 0.000 2.042 332 L HA -0.245 4.094 4.340 -0.001 0.000 0.210 332 L C 2.553 179.148 176.870 -0.458 0.000 1.076 332 L CA 0.928 55.475 54.840 -0.487 0.000 0.749 332 L CB -0.721 40.757 42.059 -0.968 0.000 0.893 332 L HN 0.226 nan 8.230 nan 0.000 0.432 333 L N -1.086 120.008 121.223 -0.214 0.000 2.043 333 L HA -0.308 4.032 4.340 -0.001 0.000 0.212 333 L C 2.468 179.300 176.870 -0.063 0.000 1.075 333 L CA 2.044 56.907 54.840 0.039 0.000 0.752 333 L CB -0.301 41.778 42.059 0.032 0.000 0.891 333 L HN 0.271 nan 8.230 nan 0.000 0.432 334 Y N -0.994 119.126 120.300 -0.301 0.000 2.490 334 Y HA 0.066 4.615 4.550 -0.001 0.000 0.285 334 Y C 2.218 178.001 175.900 -0.196 0.000 1.117 334 Y CA 1.005 58.944 58.100 -0.268 0.000 1.262 334 Y CB 0.134 38.326 38.460 -0.446 0.000 1.043 334 Y HN 0.201 nan 8.280 nan 0.000 0.553 335 G N -1.651 107.126 108.800 -0.038 0.000 3.342 335 G HA2 0.475 4.434 3.960 -0.001 0.000 0.252 335 G HA3 0.475 4.434 3.960 -0.001 0.000 0.252 335 G C -0.238 174.646 174.900 -0.025 0.000 1.011 335 G CA 0.426 45.501 45.100 -0.042 0.000 0.869 335 G HN 0.226 nan 8.290 nan 0.000 0.514 336 A N 1.576 124.393 122.820 -0.005 0.000 2.343 336 A HA 0.788 5.108 4.320 -0.001 0.000 0.308 336 A C -2.719 174.999 177.584 0.223 0.000 1.092 336 A CA -1.555 50.530 52.037 0.080 0.000 0.751 336 A CB 1.600 20.615 19.000 0.025 0.000 1.203 336 A HN 0.018 nan 8.150 nan 0.000 0.452 337 P HA 0.163 nan 4.420 nan 0.000 0.260 337 P C 0.943 178.304 177.300 0.101 0.000 1.172 337 P CA 1.833 64.992 63.100 0.097 0.000 0.760 337 P CB 0.780 32.509 31.700 0.048 0.000 0.773 338 G N 2.339 111.146 108.800 0.011 0.000 2.307 338 G HA2 -0.190 3.770 3.960 -0.001 0.000 0.210 338 G HA3 -0.190 3.770 3.960 -0.001 0.000 0.210 338 G C -0.281 174.408 174.900 -0.352 0.000 1.005 338 G CA -0.577 44.405 45.100 -0.196 0.000 0.634 338 G HN 0.417 nan 8.290 nan 0.000 0.496 339 F N 2.409 122.296 119.950 -0.106 0.000 2.399 339 F HA 0.734 5.261 4.527 -0.001 0.000 0.334 339 F C 0.672 176.480 175.800 0.013 0.000 1.097 339 F CA -0.174 57.750 58.000 -0.127 0.000 1.076 339 F CB 2.189 41.178 39.000 -0.018 0.000 1.162 339 F HN 0.147 nan 8.300 nan 0.000 0.495 340 S N 1.106 116.957 115.700 0.253 0.000 2.550 340 S HA 0.284 4.754 4.470 -0.001 0.000 0.270 340 S C 0.425 175.234 174.600 0.350 0.000 1.145 340 S CA -1.295 57.057 58.200 0.254 0.000 0.852 340 S CB 2.159 65.429 63.200 0.117 0.000 1.119 340 S HN 0.691 nan 8.310 nan 0.000 0.465 341 K N 0.527 121.052 120.400 0.208 0.000 2.063 341 K HA -0.138 4.181 4.320 -0.001 0.000 0.208 341 K C 0.171 176.831 176.600 0.099 0.000 1.048 341 K CA 1.831 58.151 56.287 0.056 0.000 0.928 341 K CB -0.095 32.146 32.500 -0.432 0.000 0.713 341 K HN 0.540 nan 8.250 nan 0.000 0.442 342 D N 0.068 120.507 120.400 0.065 0.000 2.339 342 D HA 0.008 4.648 4.640 -0.001 0.000 0.217 342 D C 0.316 176.666 176.300 0.084 0.000 1.050 342 D CA 0.228 54.256 54.000 0.047 0.000 0.856 342 D CB 0.599 41.396 40.800 -0.005 0.000 0.922 342 D HN 0.233 nan 8.370 nan 0.000 0.518 343 S N -0.782 114.983 115.700 0.108 0.000 2.759 343 S HA 0.400 4.870 4.470 -0.001 0.000 0.310 343 S C 0.760 175.390 174.600 0.049 0.000 1.123 343 S CA -0.756 57.473 58.200 0.048 0.000 0.959 343 S CB 1.763 64.944 63.200 -0.033 0.000 1.172 343 S HN -0.180 nan 8.310 nan 0.000 0.539 344 E N 0.460 120.626 120.200 -0.058 0.000 2.489 344 E HA 0.209 4.559 4.350 -0.001 0.000 0.193 344 E C -0.512 175.744 176.600 -0.573 0.000 1.057 344 E CA 0.176 56.477 56.400 -0.165 0.000 0.866 344 E CB -0.084 29.576 29.700 -0.068 0.000 0.916 344 E HN 0.621 nan 8.360 nan 0.000 0.500 345 S N 1.270 116.651 115.700 -0.533 0.000 3.711 345 S HA -0.176 4.294 4.470 -0.001 0.000 0.374 345 S C -0.329 173.872 174.600 -0.666 0.000 0.969 345 S CA 0.458 58.216 58.200 -0.735 0.000 1.198 345 S CB -1.290 61.171 63.200 -1.233 0.000 0.903 345 S HN 0.305 nan 8.310 nan 0.000 0.493 346 K N 0.361 120.515 120.400 -0.409 0.000 2.416 346 K HA 0.290 4.610 4.320 -0.001 0.000 0.283 346 K C 0.069 176.472 176.600 -0.327 0.000 1.037 346 K CA 0.044 56.147 56.287 -0.307 0.000 0.995 346 K CB 0.399 32.781 32.500 -0.197 0.000 0.938 346 K HN 0.249 nan 8.250 nan 0.000 0.475 347 I N 2.330 122.720 120.570 -0.300 0.000 2.392 347 I HA 0.008 4.177 4.170 -0.001 0.000 0.295 347 I C 0.481 176.512 176.117 -0.143 0.000 0.985 347 I CA 0.147 61.285 61.300 -0.269 0.000 1.221 347 I CB 1.694 39.517 38.000 -0.296 0.000 1.366 347 I HN 0.640 nan 8.210 nan 0.000 0.467 348 S N 5.629 121.264 115.700 -0.108 0.000 2.600 348 S HA 0.257 4.727 4.470 -0.001 0.000 0.265 348 S C 1.231 175.810 174.600 -0.035 0.000 1.325 348 S CA -0.431 57.725 58.200 -0.073 0.000 1.002 348 S CB 0.652 63.818 63.200 -0.058 0.000 0.921 348 S HN 0.640 nan 8.310 nan 0.000 0.554 349 R N 0.066 120.530 120.500 -0.060 0.000 2.200 349 R HA -0.130 4.209 4.340 -0.001 0.000 0.234 349 R C 2.073 178.398 176.300 0.042 0.000 1.127 349 R CA 1.544 57.608 56.100 -0.059 0.000 0.989 349 R CB -0.247 30.002 30.300 -0.085 0.000 0.869 349 R HN 0.865 nan 8.270 nan 0.000 0.459 350 E N 0.428 120.645 120.200 0.029 0.000 2.051 350 E HA -0.133 4.217 4.350 -0.001 0.000 0.189 350 E C 1.218 177.855 176.600 0.063 0.000 0.979 350 E CA 1.441 57.865 56.400 0.041 0.000 0.803 350 E CB 0.021 29.726 29.700 0.009 0.000 0.761 350 E HN 0.152 nan 8.360 nan 0.000 0.451 351 D N -0.488 119.943 120.400 0.052 0.000 2.183 351 D HA -0.112 4.528 4.640 -0.001 0.000 0.203 351 D C 1.621 177.988 176.300 0.112 0.000 0.969 351 D CA 0.496 54.527 54.000 0.051 0.000 0.842 351 D CB -0.270 40.524 40.800 -0.010 0.000 0.957 351 D HN 0.201 nan 8.370 nan 0.000 0.484 352 F N 1.324 121.258 119.950 -0.027 0.000 2.095 352 F HA -0.256 4.271 4.527 -0.001 0.000 0.298 352 F C 2.222 178.027 175.800 0.008 0.000 1.104 352 F CA 1.299 59.295 58.000 -0.006 0.000 1.232 352 F CB -0.102 38.875 39.000 -0.038 0.000 0.987 352 F HN -0.174 nan 8.300 nan 0.000 0.475 353 M N 0.337 120.073 119.600 0.227 0.000 2.082 353 M HA -0.215 4.265 4.480 -0.001 0.000 0.258 353 M C 2.381 178.675 176.300 -0.010 0.000 1.069 353 M CA 2.130 57.488 55.300 0.096 0.000 1.102 353 M CB -1.778 30.892 32.600 0.116 0.000 1.336 353 M HN 0.285 nan 8.290 nan 0.000 0.404 354 S N -0.564 115.140 115.700 0.005 0.000 2.436 354 S HA 0.055 4.525 4.470 -0.001 0.000 0.228 354 S C 2.096 176.674 174.600 -0.037 0.000 1.014 354 S CA 0.783 58.974 58.200 -0.013 0.000 0.950 354 S CB -1.058 62.145 63.200 0.006 0.000 0.784 354 S HN 0.556 nan 8.310 nan 0.000 0.504 355 G N 2.390 111.161 108.800 -0.049 0.000 2.480 355 G HA2 -0.184 3.776 3.960 -0.001 0.000 0.216 355 G HA3 -0.184 3.776 3.960 -0.001 0.000 0.216 355 G C 1.429 176.239 174.900 -0.151 0.000 1.200 355 G CA 1.139 46.197 45.100 -0.069 0.000 0.782 355 G HN 0.413 nan 8.290 nan 0.000 0.554 356 V N 0.949 120.699 119.914 -0.273 0.000 2.282 356 V HA -0.225 3.895 4.120 -0.001 0.000 0.249 356 V C 2.869 178.877 176.094 -0.144 0.000 1.057 356 V CA 2.269 64.416 62.300 -0.254 0.000 1.032 356 V CB -0.434 31.197 31.823 -0.320 0.000 0.645 356 V HN 0.323 nan 8.190 nan 0.000 0.447 357 K N -0.533 119.798 120.400 -0.114 0.000 2.089 357 K HA -0.204 4.115 4.320 -0.001 0.000 0.210 357 K C 2.047 178.585 176.600 -0.102 0.000 1.048 357 K CA 1.610 57.838 56.287 -0.099 0.000 0.926 357 K CB -0.371 32.086 32.500 -0.072 0.000 0.714 357 K HN 0.407 nan 8.250 nan 0.000 0.448 358 L N 0.354 121.531 121.223 -0.076 0.000 2.240 358 L HA -0.084 4.256 4.340 -0.001 0.000 0.211 358 L C 2.142 178.988 176.870 -0.041 0.000 1.106 358 L CA 0.657 55.468 54.840 -0.048 0.000 0.793 358 L CB -0.044 41.998 42.059 -0.028 0.000 0.927 358 L HN 0.067 nan 8.230 nan 0.000 0.446 359 S N -0.996 114.667 115.700 -0.062 0.000 2.436 359 S HA 0.021 4.491 4.470 -0.001 0.000 0.228 359 S C 0.895 175.439 174.600 -0.094 0.000 1.014 359 S CA 0.336 58.510 58.200 -0.044 0.000 0.950 359 S CB 0.322 63.486 63.200 -0.060 0.000 0.784 359 S HN 0.140 nan 8.310 nan 0.000 0.504 360 V N 3.079 122.884 119.914 -0.182 0.000 2.361 360 V HA 0.233 4.352 4.120 -0.001 0.000 0.252 360 V C -2.038 173.774 176.094 -0.470 0.000 0.986 360 V CA -1.278 60.787 62.300 -0.391 0.000 1.033 360 V CB 0.865 32.499 31.823 -0.316 0.000 1.282 360 V HN 0.162 nan 8.190 nan 0.000 0.514 361 P HA -0.094 nan 4.420 nan 0.000 0.230 361 P C 0.907 177.936 177.300 -0.452 0.000 1.158 361 P CA 1.151 64.075 63.100 -0.294 0.000 0.769 361 P CB 0.071 31.735 31.700 -0.059 0.000 0.807 362 H N -1.826 117.131 119.070 -0.189 0.000 2.539 362 H HA 0.552 5.108 4.556 -0.001 0.000 0.269 362 H C 0.809 176.062 175.328 -0.125 0.000 0.980 362 H CA -0.317 55.641 56.048 -0.149 0.000 1.152 362 H CB -0.387 29.387 29.762 0.020 0.000 1.407 362 H HN -0.004 nan 8.280 nan 0.000 0.564 363 A N 1.854 124.455 122.820 -0.365 0.000 2.340 363 A HA 0.242 4.562 4.320 -0.001 0.000 0.268 363 A C 0.186 177.682 177.584 -0.148 0.000 1.100 363 A CA -0.686 51.226 52.037 -0.208 0.000 0.803 363 A CB 0.290 19.154 19.000 -0.227 0.000 1.043 363 A HN 0.646 nan 8.150 nan 0.000 0.488 364 N N 0.929 119.575 118.700 -0.091 0.000 2.328 364 N HA 0.145 4.884 4.740 -0.001 0.000 0.277 364 N C 0.043 175.518 175.510 -0.059 0.000 1.286 364 N CA 0.075 53.082 53.050 -0.071 0.000 0.949 364 N CB 0.061 38.520 38.487 -0.047 0.000 1.136 364 N HN 0.580 nan 8.380 nan 0.000 0.550 365 D N -1.655 118.722 120.400 -0.037 0.000 2.333 365 D HA -0.041 4.598 4.640 -0.001 0.000 0.208 365 D C 1.637 177.939 176.300 0.003 0.000 0.984 365 D CA -0.067 53.922 54.000 -0.019 0.000 0.873 365 D CB -0.324 40.470 40.800 -0.010 0.000 0.935 365 D HN 0.348 nan 8.370 nan 0.000 0.521 366 L N 1.467 122.690 121.223 -0.001 0.000 2.017 366 L HA 0.109 4.449 4.340 -0.001 0.000 0.208 366 L C 2.298 179.183 176.870 0.026 0.000 1.073 366 L CA 2.294 57.144 54.840 0.016 0.000 0.745 366 L CB -1.091 40.972 42.059 0.006 0.000 0.894 366 L HN 0.134 nan 8.230 nan 0.000 0.432 367 G N -0.008 108.788 108.800 -0.008 0.000 2.529 367 G HA2 -0.322 3.638 3.960 -0.001 0.000 0.219 367 G HA3 -0.322 3.638 3.960 -0.001 0.000 0.219 367 G C 1.635 176.553 174.900 0.030 0.000 1.177 367 G CA 1.386 46.478 45.100 -0.014 0.000 0.773 367 G HN 0.465 nan 8.290 nan 0.000 0.573 368 L N 0.393 121.619 121.223 0.005 0.000 2.051 368 L HA -0.168 4.172 4.340 -0.001 0.000 0.214 368 L C 2.592 179.514 176.870 0.086 0.000 1.076 368 L CA 1.644 56.500 54.840 0.026 0.000 0.758 368 L CB -0.499 41.559 42.059 -0.001 0.000 0.890 368 L HN 0.155 nan 8.230 nan 0.000 0.433 369 D N -0.051 120.407 120.400 0.096 0.000 2.117 369 D HA -0.115 4.524 4.640 -0.001 0.000 0.198 369 D C 2.250 178.647 176.300 0.161 0.000 0.982 369 D CA 1.403 55.482 54.000 0.133 0.000 0.828 369 D CB -0.103 40.760 40.800 0.105 0.000 0.967 369 D HN 0.306 nan 8.370 nan 0.000 0.464 370 A N 0.478 123.403 122.820 0.175 0.000 1.978 370 A HA -0.140 4.180 4.320 -0.001 0.000 0.220 370 A C 2.424 180.106 177.584 0.163 0.000 1.170 370 A CA 1.169 53.357 52.037 0.252 0.000 0.636 370 A CB -0.513 18.727 19.000 0.399 0.000 0.810 370 A HN 0.165 nan 8.150 nan 0.000 0.448 371 V N -0.913 119.101 119.914 0.167 0.000 2.379 371 V HA -0.152 3.968 4.120 -0.001 0.000 0.243 371 V C 2.692 178.871 176.094 0.143 0.000 1.035 371 V CA 2.225 64.570 62.300 0.075 0.000 1.035 371 V CB -1.132 30.777 31.823 0.143 0.000 0.673 371 V HN 0.572 nan 8.190 nan 0.000 0.457 372 T N 0.973 115.651 114.554 0.205 0.000 2.652 372 T HA -0.248 4.101 4.350 -0.001 0.000 0.267 372 T C 1.927 176.818 174.700 0.318 0.000 1.039 372 T CA 2.127 64.412 62.100 0.308 0.000 1.153 372 T CB -0.428 68.635 68.868 0.325 0.000 0.863 372 T HN 0.290 nan 8.240 nan 0.000 0.428 373 L N 1.133 122.569 121.223 0.355 0.000 1.990 373 L HA -0.160 4.180 4.340 -0.001 0.000 0.213 373 L C 2.531 179.541 176.870 0.234 0.000 1.072 373 L CA 1.918 57.022 54.840 0.439 0.000 0.755 373 L CB -0.739 41.431 42.059 0.186 0.000 0.889 373 L HN 0.112 nan 8.230 nan 0.000 0.432 374 Q N -1.590 118.163 119.800 -0.078 0.000 2.234 374 Q HA -0.182 4.158 4.340 -0.001 0.000 0.206 374 Q C 0.977 176.743 176.000 -0.391 0.000 0.980 374 Q CA 1.822 57.398 55.803 -0.380 0.000 0.869 374 Q CB -0.114 28.048 28.738 -0.960 0.000 0.912 374 Q HN 0.740 nan 8.270 nan 0.000 0.436 375 Y N -1.724 118.553 120.300 -0.039 0.000 2.641 375 Y HA 0.312 4.861 4.550 -0.001 0.000 0.248 375 Y C -0.228 175.653 175.900 -0.031 0.000 1.170 375 Y CA -0.334 57.782 58.100 0.025 0.000 1.201 375 Y CB 1.100 39.644 38.460 0.140 0.000 1.232 375 Y HN -0.207 nan 8.280 nan 0.000 0.537 376 T N 0.482 114.965 114.554 -0.119 0.000 2.867 376 T HA 0.087 4.436 4.350 -0.001 0.000 0.282 376 T C -0.666 173.674 174.700 -0.599 0.000 1.000 376 T CA -0.590 61.166 62.100 -0.573 0.000 1.042 376 T CB 1.117 69.197 68.868 -1.313 0.000 0.973 376 T HN -0.040 nan 8.240 nan 0.000 0.465 377 D N 1.602 121.705 120.400 -0.494 0.000 2.422 377 D HA 0.118 4.758 4.640 -0.001 0.000 0.227 377 D C -0.003 176.112 176.300 -0.309 0.000 1.190 377 D CA -0.586 53.234 54.000 -0.301 0.000 0.905 377 D CB 0.241 40.939 40.800 -0.170 0.000 1.034 377 D HN 0.596 nan 8.370 nan 0.000 0.507 378 W N 2.637 123.904 121.300 -0.055 0.000 2.825 378 W HA 0.070 4.729 4.660 -0.001 0.000 0.243 378 W C 1.742 178.232 176.519 -0.047 0.000 1.293 378 W CA -0.233 57.080 57.345 -0.054 0.000 1.403 378 W CB -0.012 29.420 29.460 -0.046 0.000 1.134 378 W HN 0.360 nan 8.180 nan 0.000 0.666 379 M N 1.213 120.888 119.600 0.124 0.000 2.989 379 M HA 0.084 4.564 4.480 -0.001 0.000 0.307 379 M C -0.516 175.791 176.300 0.011 0.000 1.224 379 M CA 0.518 55.861 55.300 0.071 0.000 0.984 379 M CB 0.107 32.742 32.600 0.058 0.000 1.264 379 M HN -0.182 nan 8.290 nan 0.000 0.525 380 D N -0.129 120.259 120.400 -0.020 0.000 4.435 380 D HA -0.110 4.529 4.640 -0.001 0.000 0.097 380 D C -0.052 176.166 176.300 -0.138 0.000 0.406 380 D CA 0.369 54.330 54.000 -0.065 0.000 0.593 380 D CB -0.534 40.229 40.800 -0.061 0.000 1.636 380 D HN 0.627 nan 8.370 nan 0.000 0.097 381 D N -0.645 119.662 120.400 -0.155 0.000 2.358 381 D HA -0.022 4.618 4.640 -0.001 0.000 0.241 381 D C 0.897 177.038 176.300 -0.264 0.000 1.094 381 D CA 0.289 54.109 54.000 -0.299 0.000 0.907 381 D CB -0.084 40.553 40.800 -0.272 0.000 0.893 381 D HN 0.342 nan 8.370 nan 0.000 0.528 382 N N -0.252 118.341 118.700 -0.179 0.000 2.317 382 N HA -0.061 4.679 4.740 -0.001 0.000 0.199 382 N C 0.179 175.602 175.510 -0.146 0.000 1.145 382 N CA -0.374 52.583 53.050 -0.156 0.000 0.882 382 N CB 0.257 38.684 38.487 -0.100 0.000 1.113 382 N HN -0.068 nan 8.380 nan 0.000 0.486 383 N N 1.160 119.781 118.700 -0.132 0.000 2.256 383 N HA -0.096 4.644 4.740 -0.001 0.000 0.277 383 N C 1.159 176.592 175.510 -0.127 0.000 1.362 383 N CA 0.558 53.541 53.050 -0.111 0.000 0.861 383 N CB 0.602 39.032 38.487 -0.095 0.000 1.136 383 N HN 0.376 nan 8.380 nan 0.000 0.492 384 G N 4.926 113.657 108.800 -0.115 0.000 2.446 384 G HA2 -0.226 3.734 3.960 -0.001 0.000 0.217 384 G HA3 -0.226 3.734 3.960 -0.001 0.000 0.217 384 G C 1.690 176.516 174.900 -0.123 0.000 1.168 384 G CA 0.502 45.524 45.100 -0.130 0.000 0.771 384 G HN 0.723 nan 8.290 nan 0.000 0.551 385 I N 0.312 120.826 120.570 -0.093 0.000 2.208 385 I HA -0.166 4.003 4.170 -0.001 0.000 0.245 385 I C 2.799 178.900 176.117 -0.027 0.000 1.097 385 I CA 1.270 62.534 61.300 -0.060 0.000 1.363 385 I CB -0.215 37.767 38.000 -0.030 0.000 1.051 385 I HN 0.182 nan 8.210 nan 0.000 0.413 386 K N 0.432 120.805 120.400 -0.045 0.000 2.148 386 K HA -0.132 4.187 4.320 -0.001 0.000 0.204 386 K C 1.758 178.344 176.600 -0.023 0.000 1.050 386 K CA 1.021 57.288 56.287 -0.032 0.000 0.942 386 K CB -0.182 32.273 32.500 -0.076 0.000 0.724 386 K HN 0.342 nan 8.250 nan 0.000 0.446 387 N N 0.931 119.584 118.700 -0.078 0.000 2.171 387 N HA -0.126 4.613 4.740 -0.001 0.000 0.184 387 N C 1.720 177.352 175.510 0.203 0.000 1.021 387 N CA 0.739 53.788 53.050 -0.002 0.000 0.854 387 N CB -0.219 38.205 38.487 -0.105 0.000 0.994 387 N HN 0.159 nan 8.380 nan 0.000 0.426 388 R N 1.177 121.712 120.500 0.059 0.000 2.103 388 R HA -0.145 4.195 4.340 -0.001 0.000 0.234 388 R C 0.916 177.358 176.300 0.238 0.000 1.132 388 R CA 1.853 57.998 56.100 0.074 0.000 0.925 388 R CB -0.347 29.897 30.300 -0.093 0.000 0.842 388 R HN 0.154 nan 8.270 nan 0.000 0.430 389 D N -0.904 119.611 120.400 0.192 0.000 2.190 389 D HA -0.128 4.511 4.640 -0.001 0.000 0.200 389 D C 1.671 178.116 176.300 0.242 0.000 0.992 389 D CA 1.484 55.619 54.000 0.225 0.000 0.854 389 D CB -0.559 40.349 40.800 0.180 0.000 0.936 389 D HN 0.547 nan 8.370 nan 0.000 0.462 390 G N 0.294 109.255 108.800 0.268 0.000 2.408 390 G HA2 -0.183 3.777 3.960 -0.001 0.000 0.217 390 G HA3 -0.183 3.777 3.960 -0.001 0.000 0.217 390 G C 1.554 176.588 174.900 0.224 0.000 1.150 390 G CA 0.145 45.441 45.100 0.327 0.000 0.776 390 G HN 0.170 nan 8.290 nan 0.000 0.542 391 L N 1.171 122.538 121.223 0.240 0.000 2.017 391 L HA -0.001 4.339 4.340 -0.001 0.000 0.208 391 L C 2.319 179.236 176.870 0.080 0.000 1.073 391 L CA 2.211 57.097 54.840 0.077 0.000 0.745 391 L CB -0.855 41.320 42.059 0.192 0.000 0.894 391 L HN 0.358 nan 8.230 nan 0.000 0.432 392 D N -1.207 119.304 120.400 0.185 0.000 2.158 392 D HA -0.233 4.406 4.640 -0.001 0.000 0.197 392 D C 1.539 177.921 176.300 0.137 0.000 0.995 392 D CA 1.474 55.584 54.000 0.184 0.000 0.846 392 D CB 0.130 41.089 40.800 0.264 0.000 0.941 392 D HN 0.350 nan 8.370 nan 0.000 0.456 393 D N -0.438 120.039 120.400 0.129 0.000 2.194 393 D HA -0.037 4.603 4.640 -0.001 0.000 0.204 393 D C 2.229 178.503 176.300 -0.043 0.000 0.964 393 D CA 0.312 54.388 54.000 0.127 0.000 0.846 393 D CB -0.083 40.881 40.800 0.272 0.000 0.962 393 D HN 0.398 nan 8.370 nan 0.000 0.490 394 I N 0.632 121.025 120.570 -0.294 0.000 2.163 394 I HA -0.235 3.935 4.170 -0.001 0.000 0.243 394 I C 2.333 178.360 176.117 -0.150 0.000 1.085 394 I CA 0.820 61.913 61.300 -0.347 0.000 1.347 394 I CB -0.215 37.568 38.000 -0.363 0.000 1.044 394 I HN -0.097 nan 8.210 nan 0.000 0.408 395 V N 0.999 120.869 119.914 -0.072 0.000 2.379 395 V HA -0.149 3.970 4.120 -0.001 0.000 0.245 395 V C 2.622 178.682 176.094 -0.057 0.000 1.044 395 V CA 1.962 64.243 62.300 -0.032 0.000 1.036 395 V CB -1.381 30.474 31.823 0.054 0.000 0.664 395 V HN 0.551 nan 8.190 nan 0.000 0.453 396 G N 0.042 108.851 108.800 0.014 0.000 2.514 396 G HA2 -0.293 3.666 3.960 -0.001 0.000 0.217 396 G HA3 -0.293 3.666 3.960 -0.001 0.000 0.217 396 G C 1.260 176.127 174.900 -0.054 0.000 1.198 396 G CA 1.293 46.419 45.100 0.044 0.000 0.780 396 G HN 0.489 nan 8.290 nan 0.000 0.565 397 D N -0.557 119.801 120.400 -0.071 0.000 2.097 397 D HA -0.056 4.584 4.640 -0.001 0.000 0.197 397 D C 2.128 178.142 176.300 -0.477 0.000 0.984 397 D CA 1.307 55.237 54.000 -0.116 0.000 0.826 397 D CB -0.393 40.482 40.800 0.123 0.000 0.973 397 D HN 0.496 nan 8.370 nan 0.000 0.460 398 H N 0.164 118.713 119.070 -0.869 0.000 2.470 398 H HA 0.130 4.686 4.556 -0.001 0.000 0.289 398 H C 1.337 176.293 175.328 -0.620 0.000 1.033 398 H CA 1.283 56.577 56.048 -1.256 0.000 1.331 398 H CB 0.155 28.884 29.762 -1.722 0.000 1.414 398 H HN -0.043 nan 8.280 nan 0.000 0.545 399 N N -0.731 117.544 118.700 -0.709 0.000 2.322 399 N HA 0.048 4.787 4.740 -0.001 0.000 0.181 399 N C 0.723 176.001 175.510 -0.387 0.000 1.088 399 N CA 0.848 53.482 53.050 -0.694 0.000 0.885 399 N CB 1.421 39.309 38.487 -0.999 0.000 1.013 399 N HN 0.270 nan 8.380 nan 0.000 0.472 400 V N 0.072 119.844 119.914 -0.236 0.000 3.415 400 V HA 0.176 4.295 4.120 -0.001 0.000 0.204 400 V C 1.880 177.945 176.094 -0.048 0.000 1.365 400 V CA -0.040 62.228 62.300 -0.053 0.000 1.310 400 V CB 0.464 32.337 31.823 0.082 0.000 1.231 400 V HN -0.065 nan 8.190 nan 0.000 0.538 401 I N 0.473 121.027 120.570 -0.027 0.000 2.163 401 I HA -0.230 3.939 4.170 -0.001 0.000 0.240 401 I C 2.427 178.546 176.117 0.004 0.000 1.081 401 I CA 1.772 63.083 61.300 0.018 0.000 1.353 401 I CB -0.378 37.669 38.000 0.079 0.000 1.054 401 I HN 0.382 nan 8.210 nan 0.000 0.407 402 c N 0.704 119.289 118.600 -0.024 0.000 2.475 402 c HA 0.017 4.587 4.570 -0.001 0.000 0.279 402 c C 0.132 174.235 174.090 0.021 0.000 1.322 402 c CA 0.392 56.743 56.329 0.037 0.000 1.734 402 c CB -1.835 40.744 42.510 0.115 0.000 2.005 402 c HN 0.353 nan 8.230 nan 0.000 0.495 403 P HA -0.094 nan 4.420 nan 0.000 0.220 403 P C 1.660 178.971 177.300 0.018 0.000 1.148 403 P CA 1.053 64.114 63.100 -0.064 0.000 0.803 403 P CB -0.181 31.382 31.700 -0.229 0.000 0.782 404 L N -2.193 119.022 121.223 -0.013 0.000 2.131 404 L HA -0.059 4.280 4.340 -0.001 0.000 0.206 404 L C 2.070 178.975 176.870 0.059 0.000 1.087 404 L CA 1.292 56.133 54.840 0.002 0.000 0.767 404 L CB -0.487 41.545 42.059 -0.046 0.000 0.917 404 L HN -0.140 nan 8.230 nan 0.000 0.441 405 M N -0.515 119.111 119.600 0.043 0.000 2.108 405 M HA -0.262 4.218 4.480 -0.001 0.000 0.261 405 M C 2.292 178.652 176.300 0.100 0.000 1.066 405 M CA 1.803 57.129 55.300 0.043 0.000 1.107 405 M CB -1.617 31.024 32.600 0.068 0.000 1.356 405 M HN 0.439 nan 8.290 nan 0.000 0.406 406 H N -0.187 118.919 119.070 0.060 0.000 2.352 406 H HA -0.208 4.348 4.556 -0.001 0.000 0.299 406 H C 1.834 177.211 175.328 0.083 0.000 1.097 406 H CA 2.268 58.358 56.048 0.071 0.000 1.311 406 H CB -0.422 29.378 29.762 0.062 0.000 1.377 406 H HN 0.284 nan 8.280 nan 0.000 0.504 407 F N -0.070 119.850 119.950 -0.051 0.000 2.126 407 F HA -0.186 4.341 4.527 -0.001 0.000 0.299 407 F C 2.208 177.939 175.800 -0.115 0.000 1.096 407 F CA 1.412 59.345 58.000 -0.112 0.000 1.255 407 F CB -0.673 38.258 39.000 -0.115 0.000 0.997 407 F HN 0.068 nan 8.300 nan 0.000 0.479 408 V N 1.265 121.146 119.914 -0.056 0.000 2.237 408 V HA -0.354 3.765 4.120 -0.001 0.000 0.245 408 V C 2.247 178.263 176.094 -0.131 0.000 1.046 408 V CA 2.302 64.490 62.300 -0.186 0.000 1.007 408 V CB -0.825 30.808 31.823 -0.317 0.000 0.638 408 V HN 0.386 nan 8.190 nan 0.000 0.445 409 N N 0.245 118.910 118.700 -0.058 0.000 2.132 409 N HA -0.193 4.546 4.740 -0.001 0.000 0.191 409 N C 1.712 177.176 175.510 -0.077 0.000 1.015 409 N CA 1.354 54.411 53.050 0.012 0.000 0.864 409 N CB -0.290 38.218 38.487 0.035 0.000 1.006 409 N HN 0.426 nan 8.380 nan 0.000 0.430 410 K N -0.053 120.230 120.400 -0.195 0.000 2.186 410 K HA -0.001 4.318 4.320 -0.001 0.000 0.202 410 K C 1.893 178.471 176.600 -0.036 0.000 1.052 410 K CA 0.246 56.467 56.287 -0.110 0.000 0.965 410 K CB -0.769 31.641 32.500 -0.150 0.000 0.746 410 K HN 0.266 nan 8.250 nan 0.000 0.457 411 Y N 2.457 122.521 120.300 -0.395 0.000 2.165 411 Y HA -0.264 4.286 4.550 -0.001 0.000 0.286 411 Y C 2.415 178.304 175.900 -0.017 0.000 1.155 411 Y CA 2.288 60.142 58.100 -0.410 0.000 1.164 411 Y CB -0.268 37.703 38.460 -0.816 0.000 0.978 411 Y HN 0.217 nan 8.280 nan 0.000 0.513 412 T N -2.282 112.270 114.554 -0.004 0.000 3.081 412 T HA -0.025 4.324 4.350 -0.001 0.000 0.255 412 T C 1.652 176.299 174.700 -0.089 0.000 1.113 412 T CA 0.606 62.718 62.100 0.020 0.000 1.082 412 T CB -0.198 68.788 68.868 0.196 0.000 0.939 412 T HN 0.300 nan 8.240 nan 0.000 0.506 413 K N 0.447 120.731 120.400 -0.193 0.000 2.057 413 K HA -0.020 4.300 4.320 -0.001 0.000 0.207 413 K C 1.207 177.446 176.600 -0.601 0.000 1.049 413 K CA 1.504 57.519 56.287 -0.453 0.000 0.931 413 K CB -0.292 31.836 32.500 -0.619 0.000 0.714 413 K HN 0.546 nan 8.250 nan 0.000 0.440 414 F N 0.516 120.401 119.950 -0.108 0.000 2.695 414 F HA 0.235 4.762 4.527 -0.001 0.000 0.303 414 F C 1.459 177.131 175.800 -0.213 0.000 1.091 414 F CA -0.706 57.190 58.000 -0.173 0.000 1.300 414 F CB -0.095 38.732 39.000 -0.289 0.000 1.071 414 F HN -0.093 nan 8.300 nan 0.000 0.578 415 G N 0.424 109.129 108.800 -0.159 0.000 2.653 415 G HA2 -0.001 3.959 3.960 -0.001 0.000 0.265 415 G HA3 -0.001 3.959 3.960 -0.001 0.000 0.265 415 G C -0.051 174.868 174.900 0.032 0.000 1.237 415 G CA -0.509 44.476 45.100 -0.192 0.000 0.946 415 G HN 0.348 nan 8.290 nan 0.000 0.522 416 N N -0.114 118.670 118.700 0.140 0.000 2.598 416 N HA 0.399 5.139 4.740 -0.001 0.000 0.309 416 N C 0.163 175.760 175.510 0.145 0.000 1.645 416 N CA 0.372 53.492 53.050 0.116 0.000 0.936 416 N CB -0.003 38.549 38.487 0.108 0.000 1.323 416 N HN 1.042 nan 8.380 nan 0.000 0.497 417 G N 0.696 109.576 108.800 0.134 0.000 2.885 417 G HA2 -0.101 3.859 3.960 -0.001 0.000 0.685 417 G HA3 -0.101 3.859 3.960 -0.001 0.000 0.685 417 G C -1.100 173.865 174.900 0.107 0.000 1.216 417 G CA -0.900 44.256 45.100 0.092 0.000 0.790 417 G HN 0.114 nan 8.290 nan 0.000 0.631 418 T N 1.546 116.021 114.554 -0.132 0.000 3.071 418 T HA 0.611 4.961 4.350 -0.001 0.000 0.311 418 T C -1.263 173.215 174.700 -0.370 0.000 1.042 418 T CA -0.431 61.620 62.100 -0.082 0.000 1.028 418 T CB 1.186 70.112 68.868 0.097 0.000 1.068 418 T HN 0.566 nan 8.240 nan 0.000 0.451 419 Y N 2.236 122.452 120.300 -0.140 0.000 2.376 419 Y HA 0.746 5.295 4.550 -0.001 0.000 0.340 419 Y C -0.544 175.380 175.900 0.039 0.000 0.965 419 Y CA -1.240 56.725 58.100 -0.224 0.000 1.078 419 Y CB 1.681 39.588 38.460 -0.922 0.000 1.193 419 Y HN 0.405 nan 8.280 nan 0.000 0.452 420 L N 5.625 127.229 121.223 0.634 0.000 2.381 420 L HA 0.542 4.881 4.340 -0.001 0.000 0.274 420 L C -1.330 175.960 176.870 0.699 0.000 0.988 420 L CA -1.287 53.838 54.840 0.474 0.000 0.824 420 L CB 0.723 42.938 42.059 0.260 0.000 1.263 420 L HN 0.549 nan 8.230 nan 0.000 0.410 421 Y N 3.335 123.959 120.300 0.540 0.000 2.587 421 Y HA 0.778 5.328 4.550 -0.001 0.000 0.337 421 Y C -1.557 174.615 175.900 0.453 0.000 1.065 421 Y CA -1.899 56.456 58.100 0.426 0.000 1.126 421 Y CB 1.357 40.045 38.460 0.380 0.000 1.279 421 Y HN 0.512 nan 8.280 nan 0.000 0.489 422 F N 3.823 124.065 119.950 0.487 0.000 2.610 422 F HA 0.422 4.949 4.527 -0.001 0.000 0.355 422 F C -1.910 174.196 175.800 0.509 0.000 1.140 422 F CA -1.887 56.335 58.000 0.369 0.000 1.037 422 F CB 0.678 39.866 39.000 0.314 0.000 1.287 422 F HN 0.563 nan 8.300 nan 0.000 0.457 423 F N 7.889 127.933 119.950 0.158 0.000 2.421 423 F HA 0.314 4.840 4.527 -0.001 0.000 0.358 423 F C 0.174 175.846 175.800 -0.214 0.000 1.115 423 F CA -0.324 57.711 58.000 0.058 0.000 1.160 423 F CB 0.552 39.630 39.000 0.130 0.000 1.123 423 F HN 0.520 nan 8.300 nan 0.000 0.508 424 N N 3.765 122.176 118.700 -0.482 0.000 2.599 424 N HA 0.100 4.840 4.740 -0.001 0.000 0.309 424 N C -1.315 173.936 175.510 -0.433 0.000 1.743 424 N CA -0.505 52.317 53.050 -0.379 0.000 0.918 424 N CB -0.496 37.947 38.487 -0.074 0.000 1.339 424 N HN 0.648 nan 8.380 nan 0.000 0.493 425 H N 0.254 118.688 119.070 -1.060 0.000 2.476 425 H HA 0.434 4.990 4.556 -0.001 0.000 0.328 425 H C -0.601 174.554 175.328 -0.289 0.000 1.073 425 H CA -0.678 54.985 56.048 -0.642 0.000 1.229 425 H CB 1.192 30.505 29.762 -0.748 0.000 1.432 425 H HN 0.115 nan 8.280 nan 0.000 0.477 426 R N 4.021 124.104 120.500 -0.695 0.000 2.202 426 R HA 0.501 4.841 4.340 -0.001 0.000 0.334 426 R C -0.717 175.285 176.300 -0.497 0.000 1.036 426 R CA -0.656 55.205 56.100 -0.398 0.000 0.878 426 R CB 0.355 30.525 30.300 -0.218 0.000 1.067 426 R HN 0.794 nan 8.270 nan 0.000 0.457 427 A N 3.083 125.886 122.820 -0.028 0.000 2.520 427 A HA 0.024 4.344 4.320 -0.001 0.000 0.245 427 A C 1.460 179.088 177.584 0.073 0.000 1.072 427 A CA 0.461 52.636 52.037 0.232 0.000 0.761 427 A CB 0.471 19.787 19.000 0.527 0.000 1.004 427 A HN 1.026 nan 8.150 nan 0.000 0.499 428 S N 2.209 117.979 115.700 0.116 0.000 2.407 428 S HA -0.241 4.229 4.470 -0.001 0.000 0.235 428 S C 0.897 175.477 174.600 -0.033 0.000 1.036 428 S CA 1.755 59.983 58.200 0.047 0.000 1.013 428 S CB -0.579 62.680 63.200 0.099 0.000 0.820 428 S HN 0.960 nan 8.310 nan 0.000 0.476 429 N N 0.733 119.370 118.700 -0.104 0.000 2.321 429 N HA 0.273 5.012 4.740 -0.001 0.000 0.242 429 N C -0.209 175.222 175.510 -0.130 0.000 1.141 429 N CA -0.380 52.569 53.050 -0.168 0.000 0.864 429 N CB -0.387 37.899 38.487 -0.335 0.000 1.100 429 N HN 0.451 nan 8.380 nan 0.000 0.510 430 L N 1.260 122.449 121.223 -0.057 0.000 2.453 430 L HA 0.068 4.408 4.340 -0.001 0.000 0.272 430 L C 1.226 178.053 176.870 -0.072 0.000 1.182 430 L CA -0.242 54.577 54.840 -0.034 0.000 0.858 430 L CB 1.070 43.123 42.059 -0.009 0.000 1.120 430 L HN 0.144 nan 8.230 nan 0.000 0.474 431 V N 0.235 120.064 119.914 -0.142 0.000 3.623 431 V HA 0.038 4.157 4.120 -0.001 0.000 0.271 431 V C 0.424 176.448 176.094 -0.117 0.000 1.248 431 V CA -0.413 61.769 62.300 -0.197 0.000 1.156 431 V CB -1.090 30.478 31.823 -0.425 0.000 0.870 431 V HN 0.604 nan 8.190 nan 0.000 0.453 432 W N 1.379 122.673 121.300 -0.010 0.000 2.253 432 W HA 0.568 5.227 4.660 -0.001 0.000 0.348 432 W C -1.848 174.598 176.519 -0.123 0.000 1.229 432 W CA -2.186 55.161 57.345 0.003 0.000 1.335 432 W CB -0.072 29.313 29.460 -0.126 0.000 1.165 432 W HN -0.069 nan 8.180 nan 0.000 0.631 433 P HA -0.032 nan 4.420 nan 0.000 0.272 433 P C 0.373 177.591 177.300 -0.135 0.000 1.230 433 P CA 0.105 63.175 63.100 -0.050 0.000 0.788 433 P CB 1.020 32.676 31.700 -0.073 0.000 0.949 434 E N 2.121 122.306 120.200 -0.026 0.000 2.114 434 E HA -0.211 4.139 4.350 -0.001 0.000 0.199 434 E C 1.695 178.330 176.600 0.057 0.000 1.008 434 E CA 2.056 58.468 56.400 0.019 0.000 0.810 434 E CB -0.620 29.134 29.700 0.090 0.000 0.739 434 E HN 0.661 nan 8.360 nan 0.000 0.456 435 W N -0.390 120.956 121.300 0.076 0.000 2.421 435 W HA -0.121 4.539 4.660 -0.001 0.000 0.270 435 W C 1.346 177.924 176.519 0.099 0.000 1.233 435 W CA 0.515 57.910 57.345 0.084 0.000 1.226 435 W CB -0.649 28.862 29.460 0.086 0.000 1.121 435 W HN 0.105 nan 8.180 nan 0.000 0.579 436 M N 1.260 120.603 119.600 -0.428 0.000 2.492 436 M HA 0.157 4.636 4.480 -0.001 0.000 0.262 436 M C 1.571 177.801 176.300 -0.117 0.000 1.090 436 M CA 1.518 56.536 55.300 -0.471 0.000 1.110 436 M CB -0.738 31.375 32.600 -0.810 0.000 1.407 436 M HN 0.132 nan 8.290 nan 0.000 0.470 437 G N 0.606 109.374 108.800 -0.053 0.000 2.562 437 G HA2 -0.261 3.698 3.960 -0.001 0.000 0.250 437 G HA3 -0.261 3.698 3.960 -0.001 0.000 0.250 437 G C -0.315 174.576 174.900 -0.015 0.000 1.269 437 G CA -0.530 44.573 45.100 0.005 0.000 0.919 437 G HN 0.158 nan 8.290 nan 0.000 0.574 438 V N 1.522 121.452 119.914 0.025 0.000 2.393 438 V HA 0.249 4.368 4.120 -0.001 0.000 0.257 438 V C 1.305 177.473 176.094 0.124 0.000 1.040 438 V CA 0.669 63.017 62.300 0.081 0.000 1.097 438 V CB -0.821 31.042 31.823 0.066 0.000 1.101 438 V HN 0.526 nan 8.190 nan 0.000 0.479 439 I N 3.238 123.873 120.570 0.108 0.000 2.713 439 I HA 0.232 4.402 4.170 -0.001 0.000 0.300 439 I C 0.785 177.062 176.117 0.267 0.000 1.009 439 I CA -0.760 60.606 61.300 0.109 0.000 1.305 439 I CB 0.676 38.617 38.000 -0.099 0.000 1.430 439 I HN 0.586 nan 8.210 nan 0.000 0.546 440 H N 3.030 122.165 119.070 0.107 0.000 3.046 440 H HA 0.261 4.816 4.556 -0.001 0.000 0.303 440 H C 0.767 176.087 175.328 -0.013 0.000 1.002 440 H CA 0.982 57.072 56.048 0.070 0.000 1.460 440 H CB 0.147 29.961 29.762 0.086 0.000 1.493 440 H HN 0.730 nan 8.280 nan 0.000 0.559 441 G N 3.484 112.160 108.800 -0.207 0.000 2.184 441 G HA2 -0.279 3.680 3.960 -0.001 0.000 0.206 441 G HA3 -0.279 3.680 3.960 -0.001 0.000 0.206 441 G C 0.351 175.173 174.900 -0.130 0.000 0.995 441 G CA 0.231 45.151 45.100 -0.302 0.000 0.651 441 G HN 0.624 nan 8.290 nan 0.000 0.511 442 Y N 1.209 121.563 120.300 0.089 0.000 2.467 442 Y HA 0.219 4.769 4.550 -0.001 0.000 0.250 442 Y C 2.350 178.322 175.900 0.121 0.000 1.155 442 Y CA 0.742 58.956 58.100 0.190 0.000 1.249 442 Y CB 0.527 39.135 38.460 0.246 0.000 1.146 442 Y HN 0.433 nan 8.280 nan 0.000 0.524 443 E N 0.718 120.841 120.200 -0.129 0.000 2.216 443 E HA -0.137 4.212 4.350 -0.001 0.000 0.192 443 E C 1.721 178.240 176.600 -0.134 0.000 0.988 443 E CA 1.050 57.092 56.400 -0.596 0.000 0.834 443 E CB -0.434 28.632 29.700 -1.057 0.000 0.772 443 E HN 0.538 nan 8.360 nan 0.000 0.479 444 I N 2.601 123.168 120.570 -0.005 0.000 2.151 444 I HA -0.327 3.842 4.170 -0.001 0.000 0.243 444 I C 2.746 178.904 176.117 0.068 0.000 1.080 444 I CA 2.252 63.602 61.300 0.082 0.000 1.339 444 I CB -0.583 37.496 38.000 0.132 0.000 1.039 444 I HN 0.274 nan 8.210 nan 0.000 0.409 445 E N 0.899 121.112 120.200 0.022 0.000 2.204 445 E HA -0.230 4.120 4.350 -0.001 0.000 0.195 445 E C 2.075 178.583 176.600 -0.154 0.000 0.990 445 E CA 1.382 57.738 56.400 -0.074 0.000 0.821 445 E CB -0.505 29.149 29.700 -0.077 0.000 0.750 445 E HN 0.412 nan 8.360 nan 0.000 0.477 446 F N 1.393 121.253 119.950 -0.150 0.000 2.163 446 F HA -0.079 4.448 4.527 -0.001 0.000 0.297 446 F C 2.463 178.094 175.800 -0.282 0.000 1.094 446 F CA 0.691 58.565 58.000 -0.210 0.000 1.290 446 F CB -0.450 38.468 39.000 -0.137 0.000 1.017 446 F HN -0.138 nan 8.300 nan 0.000 0.483 447 V N -0.794 119.037 119.914 -0.139 0.000 2.332 447 V HA -0.317 3.803 4.120 -0.001 0.000 0.248 447 V C 1.894 177.811 176.094 -0.295 0.000 1.055 447 V CA 1.847 63.929 62.300 -0.363 0.000 1.038 447 V CB -0.674 30.956 31.823 -0.322 0.000 0.651 447 V HN 0.235 nan 8.190 nan 0.000 0.450 448 F N 0.037 119.860 119.950 -0.212 0.000 2.797 448 F HA 0.388 4.915 4.527 -0.001 0.000 0.302 448 F C 1.682 177.360 175.800 -0.203 0.000 1.130 448 F CA 0.750 58.641 58.000 -0.181 0.000 1.387 448 F CB 0.120 38.989 39.000 -0.219 0.000 1.107 448 F HN 0.282 nan 8.300 nan 0.000 0.577 449 G N 0.640 109.333 108.800 -0.178 0.000 2.171 449 G HA2 -0.258 3.702 3.960 -0.001 0.000 0.238 449 G HA3 -0.258 3.702 3.960 -0.001 0.000 0.238 449 G C 0.897 175.439 174.900 -0.596 0.000 1.039 449 G CA 0.256 45.166 45.100 -0.318 0.000 0.759 449 G HN 0.378 nan 8.290 nan 0.000 0.501 450 L N -0.764 120.088 121.223 -0.619 0.000 2.179 450 L HA 0.016 4.355 4.340 -0.001 0.000 0.208 450 L C -0.014 176.389 176.870 -0.779 0.000 1.096 450 L CA 1.174 55.603 54.840 -0.687 0.000 0.779 450 L CB -1.161 40.637 42.059 -0.436 0.000 0.922 450 L HN 0.136 nan 8.230 nan 0.000 0.443 451 P HA -0.155 nan 4.420 nan 0.000 0.229 451 P C 1.686 178.680 177.300 -0.509 0.000 1.150 451 P CA 1.142 63.534 63.100 -1.180 0.000 0.765 451 P CB -0.008 30.924 31.700 -1.280 0.000 0.783 452 L N -1.539 119.404 121.223 -0.467 0.000 2.395 452 L HA 0.021 4.360 4.340 -0.001 0.000 0.218 452 L C 1.151 177.890 176.870 -0.218 0.000 1.130 452 L CA 0.352 55.017 54.840 -0.291 0.000 0.826 452 L CB -0.418 41.494 42.059 -0.246 0.000 0.941 452 L HN -0.070 nan 8.230 nan 0.000 0.451 453 V N -0.614 119.145 119.914 -0.259 0.000 2.348 453 V HA 0.137 4.257 4.120 -0.001 0.000 0.270 453 V C 1.090 177.147 176.094 -0.061 0.000 1.037 453 V CA -0.475 61.738 62.300 -0.145 0.000 0.872 453 V CB 1.362 33.086 31.823 -0.164 0.000 1.002 453 V HN 0.193 nan 8.190 nan 0.000 0.464 454 K N 3.535 123.910 120.400 -0.041 0.000 2.063 454 K HA -0.151 4.168 4.320 -0.001 0.000 0.208 454 K C 1.579 178.170 176.600 -0.016 0.000 1.048 454 K CA 2.365 58.641 56.287 -0.019 0.000 0.928 454 K CB 0.001 32.488 32.500 -0.022 0.000 0.713 454 K HN 0.972 nan 8.250 nan 0.000 0.442 455 E N 0.559 120.743 120.200 -0.026 0.000 2.512 455 E HA -0.061 4.289 4.350 -0.001 0.000 0.195 455 E C 0.683 177.255 176.600 -0.046 0.000 1.083 455 E CA 0.448 56.828 56.400 -0.034 0.000 0.873 455 E CB -0.100 29.580 29.700 -0.034 0.000 0.897 455 E HN 0.279 nan 8.360 nan 0.000 0.514 456 L N 0.041 121.246 121.223 -0.030 0.000 2.640 456 L HA 0.265 4.604 4.340 -0.001 0.000 0.230 456 L C -0.082 176.692 176.870 -0.161 0.000 1.123 456 L CA -0.456 54.343 54.840 -0.068 0.000 0.900 456 L CB -0.240 41.814 42.059 -0.008 0.000 1.146 456 L HN -0.002 nan 8.230 nan 0.000 0.484 457 N N -0.815 117.837 118.700 -0.081 0.000 3.022 457 N HA -0.161 4.579 4.740 -0.001 0.000 0.246 457 N C -0.875 174.535 175.510 -0.166 0.000 1.119 457 N CA 0.560 53.535 53.050 -0.126 0.000 0.681 457 N CB -1.645 36.731 38.487 -0.186 0.000 1.037 457 N HN 0.314 nan 8.380 nan 0.000 0.561 458 Y N 0.096 120.355 120.300 -0.068 0.000 2.458 458 Y HA 0.420 4.969 4.550 -0.001 0.000 0.322 458 Y C 1.703 177.597 175.900 -0.010 0.000 1.259 458 Y CA -0.352 57.723 58.100 -0.042 0.000 1.302 458 Y CB 0.752 39.157 38.460 -0.092 0.000 1.314 458 Y HN -0.106 nan 8.280 nan 0.000 0.509 459 T N 0.796 115.480 114.554 0.218 0.000 2.900 459 T HA 0.154 4.504 4.350 -0.001 0.000 0.307 459 T C 1.311 176.074 174.700 0.104 0.000 1.065 459 T CA 0.189 62.370 62.100 0.134 0.000 1.105 459 T CB 1.011 69.967 68.868 0.148 0.000 0.979 459 T HN 0.860 nan 8.240 nan 0.000 0.544 460 A N 2.296 125.152 122.820 0.059 0.000 1.906 460 A HA -0.286 4.033 4.320 -0.001 0.000 0.222 460 A C 2.074 179.675 177.584 0.029 0.000 1.282 460 A CA 2.414 54.470 52.037 0.033 0.000 0.675 460 A CB -0.948 18.067 19.000 0.025 0.000 0.838 460 A HN 0.890 nan 8.150 nan 0.000 0.469 461 E N -0.411 119.814 120.200 0.041 0.000 2.274 461 E HA -0.055 4.295 4.350 -0.001 0.000 0.194 461 E C 1.924 178.540 176.600 0.027 0.000 0.996 461 E CA 1.075 57.488 56.400 0.021 0.000 0.840 461 E CB -0.136 29.570 29.700 0.009 0.000 0.772 461 E HN 0.802 nan 8.360 nan 0.000 0.491 462 E N 0.777 121.031 120.200 0.090 0.000 2.015 462 E HA -0.191 4.158 4.350 -0.001 0.000 0.191 462 E C 1.979 178.609 176.600 0.049 0.000 0.991 462 E CA 0.774 57.282 56.400 0.179 0.000 0.802 462 E CB -0.082 29.813 29.700 0.325 0.000 0.759 462 E HN 0.254 nan 8.360 nan 0.000 0.447 463 E N 0.512 120.673 120.200 -0.065 0.000 2.136 463 E HA -0.328 4.021 4.350 -0.001 0.000 0.208 463 E C 2.022 178.587 176.600 -0.059 0.000 1.035 463 E CA 1.317 57.649 56.400 -0.113 0.000 0.838 463 E CB -0.121 29.529 29.700 -0.083 0.000 0.748 463 E HN 0.228 nan 8.360 nan 0.000 0.459 464 A N 1.012 123.816 122.820 -0.026 0.000 1.851 464 A HA -0.229 4.091 4.320 -0.001 0.000 0.216 464 A C 2.179 179.752 177.584 -0.019 0.000 1.195 464 A CA 1.700 53.720 52.037 -0.028 0.000 0.622 464 A CB -0.928 18.058 19.000 -0.024 0.000 0.831 464 A HN 0.357 nan 8.150 nan 0.000 0.444 465 L N 0.078 121.309 121.223 0.013 0.000 2.051 465 L HA -0.183 4.156 4.340 -0.001 0.000 0.214 465 L C 2.651 179.593 176.870 0.119 0.000 1.076 465 L CA 2.721 57.588 54.840 0.044 0.000 0.758 465 L CB -0.788 41.283 42.059 0.019 0.000 0.890 465 L HN 0.418 nan 8.230 nan 0.000 0.433 466 S N -0.824 114.967 115.700 0.152 0.000 2.356 466 S HA -0.205 4.264 4.470 -0.001 0.000 0.223 466 S C 2.155 176.732 174.600 -0.039 0.000 1.032 466 S CA 1.507 59.746 58.200 0.065 0.000 1.005 466 S CB -0.200 62.880 63.200 -0.199 0.000 0.867 466 S HN 0.575 nan 8.310 nan 0.000 0.449 467 R N 0.276 120.741 120.500 -0.059 0.000 2.090 467 R HA 0.090 4.430 4.340 -0.001 0.000 0.228 467 R C 2.688 178.951 176.300 -0.062 0.000 1.110 467 R CA 1.169 57.233 56.100 -0.060 0.000 0.973 467 R CB -0.317 29.942 30.300 -0.067 0.000 0.869 467 R HN 0.398 nan 8.270 nan 0.000 0.440 468 R N 1.077 121.526 120.500 -0.084 0.000 2.105 468 R HA -0.128 4.212 4.340 -0.001 0.000 0.239 468 R C 1.900 178.095 176.300 -0.175 0.000 1.135 468 R CA 1.390 57.389 56.100 -0.168 0.000 0.967 468 R CB -0.168 30.043 30.300 -0.148 0.000 0.861 468 R HN 0.161 nan 8.270 nan 0.000 0.442 469 I N 0.222 120.773 120.570 -0.032 0.000 2.141 469 I HA -0.259 3.911 4.170 -0.001 0.000 0.236 469 I C 2.385 178.505 176.117 0.006 0.000 1.071 469 I CA 1.245 62.551 61.300 0.011 0.000 1.345 469 I CB -0.163 37.691 38.000 -0.243 0.000 1.066 469 I HN 0.200 nan 8.210 nan 0.000 0.406 470 M N -0.439 119.097 119.600 -0.106 0.000 2.164 470 M HA -0.361 4.118 4.480 -0.001 0.000 0.251 470 M C 2.313 178.701 176.300 0.145 0.000 1.087 470 M CA 1.966 57.247 55.300 -0.032 0.000 1.071 470 M CB -0.892 31.681 32.600 -0.044 0.000 1.347 470 M HN 0.377 nan 8.290 nan 0.000 0.399 471 H N -0.736 118.355 119.070 0.034 0.000 2.287 471 H HA -0.056 4.499 4.556 -0.001 0.000 0.309 471 H C 1.578 177.037 175.328 0.218 0.000 1.059 471 H CA 1.893 57.975 56.048 0.056 0.000 1.357 471 H CB -0.612 29.122 29.762 -0.046 0.000 1.409 471 H HN 0.350 nan 8.280 nan 0.000 0.515 472 Y N -0.495 119.989 120.300 0.307 0.000 2.110 472 Y HA -0.484 4.066 4.550 -0.001 0.000 0.258 472 Y C 2.716 178.845 175.900 0.381 0.000 1.271 472 Y CA 1.242 59.564 58.100 0.371 0.000 1.080 472 Y CB -0.620 38.242 38.460 0.671 0.000 0.892 472 Y HN 0.413 nan 8.280 nan 0.000 0.510 473 W N -0.892 120.524 121.300 0.195 0.000 2.379 473 W HA -0.225 4.435 4.660 -0.001 0.000 0.307 473 W C 2.677 179.196 176.519 -0.000 0.000 1.200 473 W CA 0.694 58.079 57.345 0.068 0.000 1.297 473 W CB -0.392 29.050 29.460 -0.031 0.000 1.140 473 W HN 0.118 nan 8.180 nan 0.000 0.507 474 A N 0.189 123.115 122.820 0.176 0.000 1.873 474 A HA -0.153 4.166 4.320 -0.001 0.000 0.215 474 A C 1.805 179.350 177.584 -0.065 0.000 1.186 474 A CA 2.223 54.264 52.037 0.008 0.000 0.616 474 A CB -1.284 17.709 19.000 -0.012 0.000 0.823 474 A HN 0.190 nan 8.150 nan 0.000 0.442 475 T N -0.302 114.166 114.554 -0.143 0.000 2.665 475 T HA -0.209 4.140 4.350 -0.001 0.000 0.268 475 T C 1.627 176.274 174.700 -0.089 0.000 1.035 475 T CA 1.819 63.817 62.100 -0.170 0.000 1.151 475 T CB -0.492 68.226 68.868 -0.250 0.000 0.862 475 T HN 0.529 nan 8.240 nan 0.000 0.438 476 F N 2.403 122.245 119.950 -0.181 0.000 2.102 476 F HA -0.013 4.513 4.527 -0.001 0.000 0.298 476 F C 2.467 178.162 175.800 -0.174 0.000 1.105 476 F CA 1.023 58.874 58.000 -0.248 0.000 1.239 476 F CB -0.818 37.952 39.000 -0.383 0.000 0.991 476 F HN 0.147 nan 8.300 nan 0.000 0.474 477 A N 0.428 123.057 122.820 -0.319 0.000 1.917 477 A HA -0.324 3.996 4.320 -0.001 0.000 0.219 477 A C 2.272 179.670 177.584 -0.309 0.000 1.182 477 A CA 2.280 54.113 52.037 -0.340 0.000 0.633 477 A CB -0.982 17.929 19.000 -0.149 0.000 0.819 477 A HN 0.556 nan 8.150 nan 0.000 0.448 478 K N -2.214 118.053 120.400 -0.220 0.000 2.296 478 K HA 0.002 4.321 4.320 -0.001 0.000 0.200 478 K C 1.303 177.796 176.600 -0.177 0.000 1.048 478 K CA 1.639 57.831 56.287 -0.159 0.000 0.966 478 K CB 0.027 32.459 32.500 -0.112 0.000 0.754 478 K HN 0.365 nan 8.250 nan 0.000 0.466 479 T N -1.960 112.446 114.554 -0.246 0.000 3.010 479 T HA 0.189 4.539 4.350 -0.001 0.000 0.253 479 T C 0.711 175.274 174.700 -0.228 0.000 0.939 479 T CA 0.364 62.348 62.100 -0.193 0.000 0.910 479 T CB 0.815 69.600 68.868 -0.139 0.000 1.226 479 T HN 0.390 nan 8.240 nan 0.000 0.508 480 G N 2.216 110.748 108.800 -0.446 0.000 2.184 480 G HA2 -0.225 3.735 3.960 -0.001 0.000 0.264 480 G HA3 -0.225 3.735 3.960 -0.001 0.000 0.264 480 G C 0.032 174.915 174.900 -0.028 0.000 0.975 480 G CA 0.320 45.200 45.100 -0.367 0.000 0.642 480 G HN 0.572 nan 8.290 nan 0.000 0.536 481 N N -0.204 118.445 118.700 -0.086 0.000 2.260 481 N HA 0.459 5.199 4.740 -0.001 0.000 0.293 481 N C -1.963 173.432 175.510 -0.192 0.000 1.058 481 N CA -1.474 51.496 53.050 -0.133 0.000 0.824 481 N CB 2.594 41.063 38.487 -0.030 0.000 1.551 481 N HN -0.066 nan 8.380 nan 0.000 0.475 482 P HA 0.033 nan 4.420 nan 0.000 0.236 482 P C -0.524 176.825 177.300 0.082 0.000 1.177 482 P CA 0.594 63.575 63.100 -0.200 0.000 0.773 482 P CB 0.450 31.798 31.700 -0.586 0.000 0.878 483 N N 0.253 118.971 118.700 0.031 0.000 2.509 483 N HA 0.226 4.965 4.740 -0.001 0.000 0.287 483 N C -0.193 175.377 175.510 0.100 0.000 1.121 483 N CA -0.488 52.655 53.050 0.155 0.000 0.977 483 N CB 0.959 39.520 38.487 0.125 0.000 1.167 483 N HN -0.065 nan 8.380 nan 0.000 0.476 484 E N 0.909 121.189 120.200 0.134 0.000 2.313 484 E HA 0.235 4.585 4.350 -0.001 0.000 0.272 484 E C -2.247 174.374 176.600 0.035 0.000 1.038 484 E CA -1.870 54.585 56.400 0.092 0.000 0.863 484 E CB 0.661 30.448 29.700 0.145 0.000 1.060 484 E HN 0.332 nan 8.360 nan 0.000 0.402 485 P HA -0.079 nan 4.420 nan 0.000 0.256 485 P C -1.021 176.313 177.300 0.057 0.000 1.173 485 P CA 0.525 63.620 63.100 -0.010 0.000 0.768 485 P CB 0.046 31.771 31.700 0.042 0.000 0.758 491 K N 1.185 121.698 120.400 0.187 0.000 2.130 491 K HA 0.405 4.724 4.320 -0.001 0.000 0.268 491 K C -0.761 176.027 176.600 0.312 0.000 0.983 491 K CA -0.666 55.770 56.287 0.247 0.000 0.893 491 K CB 0.827 33.447 32.500 0.199 0.000 1.066 491 K HN 0.650 nan 8.250 nan 0.000 0.450 492 W N 6.543 127.924 121.300 0.135 0.000 2.605 492 W HA 0.144 4.803 4.660 -0.001 0.000 0.327 492 W C -2.279 174.381 176.519 0.235 0.000 1.332 492 W CA -2.280 55.146 57.345 0.135 0.000 1.403 492 W CB -0.121 29.343 29.460 0.007 0.000 1.452 492 W HN 0.580 nan 8.180 nan 0.000 0.503 493 P HA 0.070 nan 4.420 nan 0.000 0.272 493 P C -0.163 177.326 177.300 0.314 0.000 1.230 493 P CA -0.056 63.254 63.100 0.350 0.000 0.788 493 P CB 1.276 33.108 31.700 0.219 0.000 0.949 494 L N 1.596 122.861 121.223 0.071 0.000 2.417 494 L HA 0.237 4.576 4.340 -0.001 0.000 0.268 494 L C 0.909 177.774 176.870 -0.007 0.000 1.158 494 L CA -0.626 54.093 54.840 -0.203 0.000 0.819 494 L CB -0.098 41.827 42.059 -0.225 0.000 1.112 494 L HN 0.332 nan 8.230 nan 0.000 0.458 495 F N 2.391 122.254 119.950 -0.146 0.000 2.438 495 F HA 0.300 4.827 4.527 -0.001 0.000 0.356 495 F C 0.520 176.300 175.800 -0.034 0.000 1.099 495 F CA -0.405 57.591 58.000 -0.006 0.000 1.185 495 F CB 0.859 39.885 39.000 0.045 0.000 1.115 495 F HN 0.484 nan 8.300 nan 0.000 0.526 496 T N 0.843 115.059 114.554 -0.563 0.000 2.908 496 T HA 0.283 4.632 4.350 -0.001 0.000 0.290 496 T C 1.060 175.380 174.700 -0.633 0.000 1.034 496 T CA -0.041 61.811 62.100 -0.413 0.000 1.010 496 T CB 1.447 70.178 68.868 -0.228 0.000 1.068 496 T HN 0.667 nan 8.240 nan 0.000 0.481 497 T N 0.056 114.445 114.554 -0.276 0.000 2.720 497 T HA -0.148 4.202 4.350 -0.001 0.000 0.268 497 T C 1.737 176.336 174.700 -0.168 0.000 1.037 497 T CA 1.272 63.271 62.100 -0.169 0.000 1.144 497 T CB -0.486 68.345 68.868 -0.062 0.000 0.864 497 T HN 0.698 nan 8.240 nan 0.000 0.444 498 K N 1.056 121.368 120.400 -0.148 0.000 1.991 498 K HA -0.143 4.177 4.320 -0.001 0.000 0.212 498 K C 2.526 179.055 176.600 -0.118 0.000 1.049 498 K CA 2.004 58.227 56.287 -0.107 0.000 0.932 498 K CB -0.038 32.412 32.500 -0.083 0.000 0.717 498 K HN 0.551 nan 8.250 nan 0.000 0.441 499 E N -0.823 119.279 120.200 -0.163 0.000 2.132 499 E HA 0.033 4.383 4.350 -0.001 0.000 0.193 499 E C -0.301 176.195 176.600 -0.174 0.000 0.951 499 E CA 0.149 56.468 56.400 -0.135 0.000 0.843 499 E CB 0.656 30.298 29.700 -0.096 0.000 0.807 499 E HN 0.193 nan 8.360 nan 0.000 0.467 500 Q N 0.588 120.159 119.800 -0.382 0.000 2.404 500 Q HA -0.097 4.242 4.340 -0.001 0.000 0.281 500 Q C -1.070 174.960 176.000 0.049 0.000 1.269 500 Q CA 0.228 55.712 55.803 -0.532 0.000 0.751 500 Q CB -1.377 27.270 28.738 -0.153 0.000 1.153 500 Q HN 0.159 nan 8.270 nan 0.000 0.419 501 K N 0.804 121.236 120.400 0.052 0.000 2.185 501 K HA 0.662 4.981 4.320 -0.001 0.000 0.271 501 K C 0.135 177.008 176.600 0.454 0.000 1.013 501 K CA 0.162 56.555 56.287 0.176 0.000 0.943 501 K CB 0.608 33.153 32.500 0.074 0.000 0.998 501 K HN 0.212 nan 8.250 nan 0.000 0.468 502 F N -0.563 119.554 119.950 0.278 0.000 2.715 502 F HA 0.642 5.168 4.527 -0.001 0.000 0.318 502 F C -0.897 175.020 175.800 0.195 0.000 1.141 502 F CA -1.531 56.658 58.000 0.315 0.000 0.950 502 F CB 0.742 39.923 39.000 0.302 0.000 1.374 502 F HN 0.436 nan 8.300 nan 0.000 0.477 503 I N -1.098 119.634 120.570 0.270 0.000 3.002 503 I HA 0.638 4.807 4.170 -0.001 0.000 0.310 503 I C -1.325 174.946 176.117 0.257 0.000 1.087 503 I CA -0.939 60.352 61.300 -0.017 0.000 1.017 503 I CB 2.086 39.830 38.000 -0.426 0.000 1.226 503 I HN 0.398 nan 8.210 nan 0.000 0.443 504 D N 3.209 123.731 120.400 0.204 0.000 2.256 504 D HA 0.462 5.101 4.640 -0.001 0.000 0.250 504 D C -0.932 175.463 176.300 0.158 0.000 1.093 504 D CA 0.063 54.258 54.000 0.325 0.000 0.882 504 D CB 2.133 43.121 40.800 0.314 0.000 1.185 504 D HN 0.257 nan 8.370 nan 0.000 0.437 505 L N 3.557 124.895 121.223 0.190 0.000 2.294 505 L HA 0.361 4.700 4.340 -0.001 0.000 0.283 505 L C -0.662 176.154 176.870 -0.091 0.000 1.015 505 L CA -0.349 54.548 54.840 0.096 0.000 0.831 505 L CB 0.170 42.376 42.059 0.244 0.000 1.217 505 L HN 0.536 nan 8.230 nan 0.000 0.420 506 N N -0.538 118.097 118.700 -0.108 0.000 3.322 506 N HA 0.092 4.831 4.740 -0.001 0.000 0.233 506 N C 0.181 175.583 175.510 -0.180 0.000 1.399 506 N CA -0.140 52.775 53.050 -0.225 0.000 0.894 506 N CB 0.362 38.769 38.487 -0.133 0.000 1.440 506 N HN 0.162 nan 8.380 nan 0.000 0.503 507 T N -2.938 111.441 114.554 -0.291 0.000 3.139 507 T HA -0.068 4.281 4.350 -0.001 0.000 0.267 507 T C 0.405 175.063 174.700 -0.070 0.000 1.164 507 T CA 1.048 63.029 62.100 -0.200 0.000 1.075 507 T CB -0.814 67.912 68.868 -0.236 0.000 0.904 507 T HN 0.688 nan 8.240 nan 0.000 0.540 508 E N 1.131 121.311 120.200 -0.034 0.000 2.405 508 E HA 0.516 4.866 4.350 -0.001 0.000 0.249 508 E C -2.946 173.657 176.600 0.006 0.000 1.028 508 E CA -2.778 53.621 56.400 -0.002 0.000 0.897 508 E CB 0.497 30.207 29.700 0.017 0.000 1.262 508 E HN 0.079 nan 8.360 nan 0.000 0.442 509 P HA 0.138 nan 4.420 nan 0.000 0.281 509 P C -0.415 176.894 177.300 0.014 0.000 1.252 509 P CA -0.206 62.905 63.100 0.018 0.000 0.778 509 P CB 0.369 32.079 31.700 0.017 0.000 0.895 510 M N 1.073 120.686 119.600 0.022 0.000 2.252 510 M HA 0.276 4.755 4.480 -0.001 0.000 0.333 510 M C -0.067 176.206 176.300 -0.045 0.000 1.111 510 M CA 0.901 56.202 55.300 0.001 0.000 1.140 510 M CB 0.178 32.781 32.600 0.005 0.000 1.538 510 M HN 0.087 nan 8.290 nan 0.000 0.448 511 K N 2.036 122.378 120.400 -0.097 0.000 2.207 511 K HA 0.653 4.973 4.320 -0.001 0.000 0.255 511 K C -1.279 175.110 176.600 -0.352 0.000 0.941 511 K CA -0.999 55.143 56.287 -0.241 0.000 0.825 511 K CB 2.339 34.621 32.500 -0.364 0.000 1.119 511 K HN 0.585 nan 8.250 nan 0.000 0.430 512 V N 4.150 123.851 119.914 -0.355 0.000 2.498 512 V HA 0.172 4.291 4.120 -0.001 0.000 0.279 512 V C 0.261 175.983 176.094 -0.619 0.000 1.048 512 V CA -0.250 61.831 62.300 -0.365 0.000 0.967 512 V CB 0.493 32.203 31.823 -0.188 0.000 0.988 512 V HN 0.718 nan 8.190 nan 0.000 0.473 513 H N 3.195 121.853 119.070 -0.687 0.000 2.995 513 H HA 0.634 5.190 4.556 -0.001 0.000 0.305 513 H C -1.014 173.982 175.328 -0.554 0.000 1.510 513 H CA -0.930 54.710 56.048 -0.681 0.000 1.376 513 H CB 1.882 31.177 29.762 -0.778 0.000 1.918 513 H HN 0.590 nan 8.280 nan 0.000 0.709 514 Q N 0.411 120.208 119.800 -0.005 0.000 2.451 514 Q HA 0.365 4.705 4.340 -0.001 0.000 0.281 514 Q C -0.637 175.629 176.000 0.443 0.000 1.099 514 Q CA -1.107 54.825 55.803 0.214 0.000 0.806 514 Q CB 2.827 31.630 28.738 0.109 0.000 1.419 514 Q HN 0.502 nan 8.270 nan 0.000 0.427 515 R N 0.362 121.114 120.500 0.421 0.000 3.079 515 R HA -0.200 4.139 4.340 -0.001 0.000 0.254 515 R C -0.513 175.926 176.300 0.232 0.000 0.900 515 R CA -0.137 56.137 56.100 0.289 0.000 0.641 515 R CB -1.936 28.472 30.300 0.180 0.000 1.307 515 R HN 0.570 nan 8.270 nan 0.000 0.477 516 L N 2.983 124.262 121.223 0.094 0.000 2.640 516 L HA -0.079 4.260 4.340 -0.001 0.000 0.280 516 L C 0.934 177.771 176.870 -0.055 0.000 1.229 516 L CA 0.650 55.327 54.840 -0.272 0.000 0.919 516 L CB 0.137 41.806 42.059 -0.650 0.000 1.168 516 L HN 0.394 nan 8.230 nan 0.000 0.496 517 R N 2.831 123.309 120.500 -0.038 0.000 3.013 517 R HA -0.218 4.122 4.340 -0.001 0.000 0.232 517 R C 1.119 177.487 176.300 0.113 0.000 0.854 517 R CA 0.878 57.015 56.100 0.062 0.000 0.580 517 R CB -2.387 27.981 30.300 0.113 0.000 1.030 517 R HN 0.696 nan 8.270 nan 0.000 0.489 518 V N 0.131 120.109 119.914 0.106 0.000 2.323 518 V HA -0.270 3.850 4.120 -0.001 0.000 0.244 518 V C 2.351 178.527 176.094 0.138 0.000 1.041 518 V CA 2.288 64.666 62.300 0.129 0.000 1.025 518 V CB -0.059 31.836 31.823 0.120 0.000 0.656 518 V HN 0.491 nan 8.190 nan 0.000 0.451 519 Q N 0.085 119.949 119.800 0.107 0.000 2.190 519 Q HA -0.318 4.022 4.340 -0.001 0.000 0.220 519 Q C 2.014 178.089 176.000 0.125 0.000 1.080 519 Q CA 3.344 59.198 55.803 0.086 0.000 0.946 519 Q CB -0.816 27.957 28.738 0.058 0.000 1.070 519 Q HN 0.628 nan 8.270 nan 0.000 0.468 520 M N -2.078 117.628 119.600 0.177 0.000 2.514 520 M HA -0.001 4.478 4.480 -0.001 0.000 0.258 520 M C 2.308 178.908 176.300 0.500 0.000 1.119 520 M CA 0.448 55.923 55.300 0.293 0.000 1.111 520 M CB -0.431 32.376 32.600 0.344 0.000 1.390 520 M HN 0.285 nan 8.290 nan 0.000 0.475 521 c N -0.012 118.812 118.600 0.373 0.000 2.468 521 c HA -0.002 4.568 4.570 -0.001 0.000 0.277 521 c C 2.882 177.175 174.090 0.338 0.000 1.400 521 c CA 0.427 56.994 56.329 0.396 0.000 1.770 521 c CB -0.774 41.896 42.510 0.267 0.000 1.905 521 c HN 0.485 nan 8.230 nan 0.000 0.519 522 V N 0.509 120.584 119.914 0.269 0.000 2.453 522 V HA -0.153 3.966 4.120 -0.001 0.000 0.247 522 V C 2.019 178.256 176.094 0.238 0.000 1.048 522 V CA 2.034 64.464 62.300 0.217 0.000 1.049 522 V CB -0.835 31.084 31.823 0.160 0.000 0.672 522 V HN 0.479 nan 8.190 nan 0.000 0.457 523 F N 0.545 120.559 119.950 0.107 0.000 2.063 523 F HA -0.228 4.298 4.527 -0.001 0.000 0.298 523 F C 1.767 177.584 175.800 0.029 0.000 1.109 523 F CA 2.614 60.629 58.000 0.024 0.000 1.212 523 F CB -0.588 38.305 39.000 -0.178 0.000 0.973 523 F HN 0.331 nan 8.300 nan 0.000 0.480 524 W N -0.179 121.175 121.300 0.091 0.000 2.576 524 W HA -0.011 4.649 4.660 -0.001 0.000 0.270 524 W C 2.172 178.645 176.519 -0.077 0.000 1.255 524 W CA 0.546 57.867 57.345 -0.040 0.000 1.314 524 W CB -0.368 29.211 29.460 0.198 0.000 1.101 524 W HN -0.067 nan 8.180 nan 0.000 0.595 525 N N -0.320 118.495 118.700 0.193 0.000 2.305 525 N HA -0.039 4.700 4.740 -0.001 0.000 0.179 525 N C 1.452 176.965 175.510 0.004 0.000 1.019 525 N CA 1.105 54.194 53.050 0.064 0.000 0.869 525 N CB -0.320 38.228 38.487 0.101 0.000 1.000 525 N HN 0.216 nan 8.380 nan 0.000 0.431 526 Q N -0.801 119.026 119.800 0.045 0.000 2.389 526 Q HA 0.236 4.576 4.340 -0.001 0.000 0.201 526 Q C 1.491 177.481 176.000 -0.016 0.000 0.956 526 Q CA 0.272 56.095 55.803 0.033 0.000 0.871 526 Q CB -0.126 28.670 28.738 0.096 0.000 0.990 526 Q HN 0.203 nan 8.270 nan 0.000 0.554 527 F N 0.785 120.646 119.950 -0.147 0.000 2.128 527 F HA -0.059 4.467 4.527 -0.001 0.000 0.295 527 F C 1.758 177.385 175.800 -0.289 0.000 1.100 527 F CA 1.003 58.896 58.000 -0.178 0.000 1.260 527 F CB -0.205 38.735 39.000 -0.101 0.000 1.009 527 F HN 0.039 nan 8.300 nan 0.000 0.476 528 L N 0.596 121.369 121.223 -0.751 0.000 1.989 528 L HA -0.143 4.197 4.340 -0.001 0.000 0.211 528 L C -0.508 176.082 176.870 -0.467 0.000 1.071 528 L CA 1.916 56.289 54.840 -0.777 0.000 0.749 528 L CB -1.798 39.746 42.059 -0.859 0.000 0.890 528 L HN 0.086 nan 8.230 nan 0.000 0.431 529 P HA -0.210 nan 4.420 nan 0.000 0.216 529 P C 1.329 178.509 177.300 -0.200 0.000 1.153 529 P CA 1.539 64.533 63.100 -0.177 0.000 0.858 529 P CB 0.004 31.630 31.700 -0.123 0.000 0.789 530 K N -0.593 119.658 120.400 -0.249 0.000 2.097 530 K HA -0.121 4.198 4.320 -0.001 0.000 0.206 530 K C 2.013 178.455 176.600 -0.263 0.000 1.049 530 K CA 0.929 57.088 56.287 -0.213 0.000 0.933 530 K CB -0.732 31.653 32.500 -0.192 0.000 0.717 530 K HN 0.059 nan 8.250 nan 0.000 0.442 531 L N 0.611 121.572 121.223 -0.437 0.000 2.027 531 L HA -0.127 4.212 4.340 -0.001 0.000 0.206 531 L C 1.864 178.605 176.870 -0.215 0.000 1.074 531 L CA 1.168 55.775 54.840 -0.388 0.000 0.745 531 L CB -0.098 41.604 42.059 -0.595 0.000 0.898 531 L HN 0.182 nan 8.230 nan 0.000 0.433 532 L N -0.053 121.055 121.223 -0.191 0.000 2.191 532 L HA -0.212 4.127 4.340 -0.001 0.000 0.212 532 L C 2.370 179.194 176.870 -0.077 0.000 1.103 532 L CA 1.038 55.816 54.840 -0.103 0.000 0.769 532 L CB -0.778 41.246 42.059 -0.058 0.000 0.908 532 L HN 0.427 nan 8.230 nan 0.000 0.438 533 N N 0.031 118.676 118.700 -0.091 0.000 2.188 533 N HA -0.132 4.607 4.740 -0.001 0.000 0.184 533 N C 1.774 177.250 175.510 -0.057 0.000 1.018 533 N CA 1.253 54.264 53.050 -0.065 0.000 0.858 533 N CB 0.243 38.691 38.487 -0.065 0.000 0.989 533 N HN 0.341 nan 8.380 nan 0.000 0.426 534 A N 0.626 123.404 122.820 -0.070 0.000 1.832 534 A HA -0.030 4.289 4.320 -0.001 0.000 0.214 534 A C 1.545 179.107 177.584 -0.037 0.000 1.204 534 A CA 1.480 53.488 52.037 -0.049 0.000 0.606 534 A CB -1.368 17.602 19.000 -0.049 0.000 0.849 534 A HN 0.496 nan 8.150 nan 0.000 0.445 535 T N 0.000 114.529 114.554 -0.042 0.000 3.816 535 T HA 0.000 4.350 4.350 -0.001 0.000 0.228 535 T CA 0.000 62.081 62.100 -0.032 0.000 1.349 535 T CB 0.000 68.847 68.868 -0.034 0.000 0.612 535 T HN 0.000 nan 8.240 nan 0.000 0.658