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 1hbj_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 EPHSQESKWP 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 0.000 174.654 174.600 0.090 0.000 1.055 4 S CA 0.000 58.236 58.200 0.061 0.000 1.107 4 S CB 0.000 63.236 63.200 0.061 0.000 0.593 5 E N 2.567 122.825 120.200 0.095 0.000 2.347 5 E HA 0.049 4.398 4.350 -0.001 0.000 0.196 5 E C 0.835 177.570 176.600 0.225 0.000 1.008 5 E CA 0.805 57.288 56.400 0.139 0.000 0.852 5 E CB -0.019 29.751 29.700 0.117 0.000 0.783 5 E HN 0.714 nan 8.360 nan 0.000 0.505 6 L N 1.067 122.399 121.223 0.182 0.000 2.607 6 L HA 0.220 4.559 4.340 -0.001 0.000 0.228 6 L C 0.138 177.219 176.870 0.351 0.000 1.123 6 L CA -0.332 54.635 54.840 0.212 0.000 0.890 6 L CB 0.416 42.489 42.059 0.024 0.000 1.103 6 L HN 0.113 nan 8.230 nan 0.000 0.468 7 L N 0.894 122.277 121.223 0.266 0.000 2.305 7 L HA 0.543 4.883 4.340 -0.001 0.000 0.284 7 L C -0.692 176.266 176.870 0.146 0.000 1.013 7 L CA -0.273 54.702 54.840 0.225 0.000 0.819 7 L CB 1.639 43.776 42.059 0.130 0.000 1.227 7 L HN -0.296 nan 8.230 nan 0.000 0.417 8 V N 4.481 124.451 119.914 0.093 0.000 2.487 8 V HA 0.466 4.586 4.120 -0.001 0.000 0.298 8 V C -0.477 175.520 176.094 -0.162 0.000 1.028 8 V CA -0.773 61.415 62.300 -0.186 0.000 0.860 8 V CB 1.820 33.223 31.823 -0.701 0.000 0.991 8 V HN 0.777 nan 8.190 nan 0.000 0.427 9 N N 3.220 121.780 118.700 -0.232 0.000 2.426 9 N HA 0.479 5.218 4.740 -0.001 0.000 0.257 9 N C -0.138 175.044 175.510 -0.547 0.000 1.002 9 N CA -0.061 52.824 53.050 -0.275 0.000 0.942 9 N CB 1.397 39.732 38.487 -0.253 0.000 1.112 9 N HN 0.918 nan 8.380 nan 0.000 0.499 10 T N 0.088 114.403 114.554 -0.398 0.000 2.938 10 T HA 0.385 4.734 4.350 -0.001 0.000 0.285 10 T C 0.948 175.362 174.700 -0.477 0.000 1.028 10 T CA -0.630 61.179 62.100 -0.485 0.000 1.005 10 T CB 1.078 69.942 68.868 -0.007 0.000 1.157 10 T HN 0.397 nan 8.240 nan 0.000 0.550 11 K N 0.304 120.458 120.400 -0.410 0.000 2.442 11 K HA 0.040 4.360 4.320 -0.001 0.000 0.198 11 K C 1.703 178.143 176.600 -0.267 0.000 1.042 11 K CA 0.759 56.868 56.287 -0.298 0.000 0.958 11 K CB -0.043 32.347 32.500 -0.184 0.000 0.766 11 K HN 0.431 nan 8.250 nan 0.000 0.474 12 S N -0.274 115.253 115.700 -0.287 0.000 2.524 12 S HA 0.213 4.683 4.470 -0.001 0.000 0.215 12 S C 0.484 174.333 174.600 -1.252 0.000 0.986 12 S CA 0.158 58.071 58.200 -0.478 0.000 0.911 12 S CB 1.104 64.260 63.200 -0.073 0.000 0.805 12 S HN 0.546 nan 8.310 nan 0.000 0.501 13 G N 1.185 109.447 108.800 -0.896 0.000 2.359 13 G HA2 0.084 4.044 3.960 -0.001 0.000 0.303 13 G HA3 0.084 4.044 3.960 -0.001 0.000 0.303 13 G C -1.694 173.107 174.900 -0.165 0.000 1.293 13 G CA -1.152 43.428 45.100 -0.867 0.000 0.964 13 G HN 0.084 nan 8.290 nan 0.000 0.531 14 K N -0.657 119.829 120.400 0.143 0.000 2.270 14 K HA 0.575 4.895 4.320 -0.001 0.000 0.276 14 K C -0.446 176.522 176.600 0.614 0.000 1.023 14 K CA -0.365 56.102 56.287 0.301 0.000 0.955 14 K CB 1.744 34.371 32.500 0.211 0.000 0.975 14 K HN 0.352 nan 8.250 nan 0.000 0.471 15 V N 3.860 124.057 119.914 0.472 0.000 2.656 15 V HA 0.348 4.468 4.120 -0.001 0.000 0.307 15 V C -1.030 175.358 176.094 0.489 0.000 1.051 15 V CA -0.894 61.747 62.300 0.568 0.000 0.893 15 V CB 1.872 34.080 31.823 0.641 0.000 0.999 15 V HN 0.719 nan 8.190 nan 0.000 0.426 16 M N 4.533 124.394 119.600 0.435 0.000 2.125 16 M HA 0.757 5.236 4.480 -0.001 0.000 0.321 16 M C 0.127 176.549 176.300 0.203 0.000 0.983 16 M CA 0.088 55.575 55.300 0.312 0.000 0.934 16 M CB 1.261 33.961 32.600 0.167 0.000 1.542 16 M HN 0.695 nan 8.290 nan 0.000 0.424 17 G N 1.454 110.273 108.800 0.031 0.000 2.543 17 G HA2 0.638 4.598 3.960 -0.001 0.000 0.267 17 G HA3 0.638 4.598 3.960 -0.001 0.000 0.267 17 G C -1.078 173.640 174.900 -0.303 0.000 1.406 17 G CA -0.336 44.487 45.100 -0.461 0.000 1.048 17 G HN 0.680 nan 8.290 nan 0.000 0.548 18 T N -1.509 112.816 114.554 -0.381 0.000 2.956 18 T HA 0.495 4.845 4.350 -0.001 0.000 0.312 18 T C -0.730 173.861 174.700 -0.181 0.000 1.151 18 T CA -0.667 61.305 62.100 -0.214 0.000 1.024 18 T CB 1.508 70.271 68.868 -0.174 0.000 1.140 18 T HN 0.580 nan 8.240 nan 0.000 0.473 19 R N 2.818 123.261 120.500 -0.095 0.000 2.298 19 R HA 0.619 4.959 4.340 -0.001 0.000 0.310 19 R C -0.313 176.002 176.300 0.026 0.000 1.068 19 R CA -0.370 55.715 56.100 -0.025 0.000 0.957 19 R CB 0.397 30.679 30.300 -0.029 0.000 1.003 19 R HN 0.551 nan 8.270 nan 0.000 0.454 20 V N 2.631 122.587 119.914 0.070 0.000 2.735 20 V HA 0.734 4.853 4.120 -0.001 0.000 0.310 20 V C -2.596 173.533 176.094 0.058 0.000 1.061 20 V CA -2.666 59.671 62.300 0.061 0.000 0.913 20 V CB 1.916 33.762 31.823 0.038 0.000 1.005 20 V HN 0.786 nan 8.190 nan 0.000 0.428 21 P HA 0.505 nan 4.420 nan 0.000 0.279 21 P C -1.023 176.112 177.300 -0.275 0.000 1.239 21 P CA -0.273 62.654 63.100 -0.288 0.000 0.789 21 P CB 1.669 33.217 31.700 -0.253 0.000 0.933 22 V N 2.668 122.345 119.914 -0.395 0.000 2.697 22 V HA 0.185 4.305 4.120 -0.001 0.000 0.300 22 V C 0.641 176.458 176.094 -0.463 0.000 1.115 22 V CA -1.047 61.013 62.300 -0.399 0.000 0.912 22 V CB 1.334 32.829 31.823 -0.546 0.000 1.024 22 V HN 0.466 nan 8.190 nan 0.000 0.431 23 L N 3.783 124.880 121.223 -0.211 0.000 3.954 23 L HA -0.279 4.061 4.340 -0.001 0.000 0.462 23 L C 1.142 177.884 176.870 -0.213 0.000 1.195 23 L CA 0.935 55.671 54.840 -0.174 0.000 0.739 23 L CB -1.435 40.548 42.059 -0.127 0.000 1.599 23 L HN 1.600 nan 8.230 nan 0.000 0.838 24 S N -3.015 112.560 115.700 -0.208 0.000 3.635 24 S HA -0.211 4.259 4.470 -0.001 0.000 0.328 24 S C 0.100 174.586 174.600 -0.191 0.000 1.135 24 S CA 1.239 59.338 58.200 -0.168 0.000 0.942 24 S CB -1.301 61.855 63.200 -0.073 0.000 0.930 24 S HN 1.112 nan 8.310 nan 0.000 0.512 25 S N -0.252 115.235 115.700 -0.355 0.000 2.973 25 S HA 0.788 5.257 4.470 -0.001 0.000 0.317 25 S C -1.519 172.792 174.600 -0.482 0.000 1.196 25 S CA -0.338 57.721 58.200 -0.236 0.000 0.894 25 S CB 1.239 64.381 63.200 -0.096 0.000 1.292 25 S HN 0.717 nan 8.310 nan 0.000 0.614 26 H N -0.050 118.989 119.070 -0.052 0.000 2.996 26 H HA 0.590 5.146 4.556 -0.001 0.000 0.368 26 H C -1.100 174.266 175.328 0.063 0.000 1.185 26 H CA -0.435 55.599 56.048 -0.024 0.000 1.160 26 H CB 1.511 31.274 29.762 0.002 0.000 1.820 26 H HN 0.651 nan 8.280 nan 0.000 0.547 27 I N -1.462 119.223 120.570 0.193 0.000 3.343 27 I HA 0.580 4.750 4.170 -0.001 0.000 0.315 27 I C -0.253 175.967 176.117 0.171 0.000 1.153 27 I CA -0.883 60.549 61.300 0.219 0.000 0.952 27 I CB 1.454 39.618 38.000 0.274 0.000 1.287 27 I HN 0.350 nan 8.210 nan 0.000 0.472 28 S N 0.902 116.707 115.700 0.176 0.000 2.617 28 S HA 0.921 5.391 4.470 -0.001 0.000 0.283 28 S C -0.359 174.233 174.600 -0.013 0.000 1.189 28 S CA -0.363 57.858 58.200 0.035 0.000 1.036 28 S CB 1.395 64.653 63.200 0.097 0.000 1.014 28 S HN 1.038 nan 8.310 nan 0.000 0.522 29 A N 1.762 124.389 122.820 -0.322 0.000 2.381 29 A HA 0.759 5.079 4.320 -0.001 0.000 0.299 29 A C -1.432 175.774 177.584 -0.630 0.000 1.049 29 A CA -0.642 51.124 52.037 -0.451 0.000 0.715 29 A CB 0.473 19.200 19.000 -0.455 0.000 1.222 29 A HN 0.630 nan 8.150 nan 0.000 0.428 30 F N 2.858 122.666 119.950 -0.238 0.000 2.325 30 F HA 0.502 5.029 4.527 -0.000 0.000 0.369 30 F C -0.089 175.593 175.800 -0.196 0.000 1.095 30 F CA -0.381 57.567 58.000 -0.086 0.000 1.082 30 F CB 1.229 40.275 39.000 0.076 0.000 1.289 30 F HN 0.362 nan 8.300 nan 0.000 0.462 31 L N 2.046 123.219 121.223 -0.083 0.000 2.334 31 L HA 0.704 5.044 4.340 -0.001 0.000 0.275 31 L C 0.986 177.891 176.870 0.058 0.000 1.036 31 L CA -1.063 53.724 54.840 -0.088 0.000 0.807 31 L CB 1.588 43.508 42.059 -0.231 0.000 1.231 31 L HN 0.813 nan 8.230 nan 0.000 0.438 32 G N 2.778 111.639 108.800 0.101 0.000 2.246 32 G HA2 -0.263 3.697 3.960 -0.001 0.000 0.273 32 G HA3 -0.263 3.697 3.960 -0.001 0.000 0.273 32 G C -0.085 174.909 174.900 0.156 0.000 1.055 32 G CA -0.261 44.909 45.100 0.116 0.000 0.851 32 G HN 0.470 nan 8.290 nan 0.000 0.500 33 I N 2.198 122.778 120.570 0.016 0.000 2.471 33 I HA 0.218 4.388 4.170 -0.001 0.000 0.286 33 I C -1.259 174.639 176.117 -0.365 0.000 1.079 33 I CA -1.960 59.164 61.300 -0.293 0.000 1.398 33 I CB 1.030 38.859 38.000 -0.284 0.000 1.403 33 I HN 0.022 nan 8.210 nan 0.000 0.530 34 P HA 0.098 nan 4.420 nan 0.000 0.279 34 P C -0.403 176.479 177.300 -0.697 0.000 1.239 34 P CA -0.086 62.468 63.100 -0.910 0.000 0.789 34 P CB 0.792 31.881 31.700 -1.018 0.000 0.933 35 F N 0.145 119.735 119.950 -0.600 0.000 2.798 35 F HA 0.764 5.291 4.527 -0.001 0.000 0.328 35 F C -0.143 175.545 175.800 -0.187 0.000 1.098 35 F CA -0.934 56.794 58.000 -0.454 0.000 1.172 35 F CB 0.064 38.781 39.000 -0.473 0.000 1.072 35 F HN 0.387 nan 8.300 nan 0.000 0.555 36 A N -0.106 122.350 122.820 -0.608 0.000 2.612 36 A HA 0.597 4.916 4.320 -0.001 0.000 0.293 36 A C -0.946 176.448 177.584 -0.316 0.000 1.075 36 A CA -0.780 51.054 52.037 -0.337 0.000 0.680 36 A CB 1.004 19.790 19.000 -0.357 0.000 1.279 36 A HN 0.039 nan 8.150 nan 0.000 0.411 37 E N 0.941 121.050 120.200 -0.152 0.000 2.392 37 E HA 0.252 4.602 4.350 -0.001 0.000 0.264 37 E C -2.314 174.194 176.600 -0.154 0.000 1.024 37 E CA -1.328 55.005 56.400 -0.111 0.000 0.903 37 E CB 0.029 29.706 29.700 -0.038 0.000 0.963 37 E HN 0.238 nan 8.360 nan 0.000 0.432 38 P HA -0.001 nan 4.420 nan 0.000 0.260 38 P C -2.201 175.047 177.300 -0.087 0.000 1.185 38 P CA -0.583 62.451 63.100 -0.110 0.000 0.763 38 P CB 0.063 31.738 31.700 -0.041 0.000 0.776 39 P HA 0.028 nan 4.420 nan 0.000 0.214 39 P C -0.406 176.846 177.300 -0.080 0.000 1.826 39 P CA 0.015 63.070 63.100 -0.075 0.000 0.977 39 P CB -0.018 31.641 31.700 -0.068 0.000 1.930 40 V N -2.095 117.779 119.914 -0.067 0.000 2.975 40 V HA 0.896 5.016 4.120 -0.001 0.000 0.318 40 V C 0.945 177.004 176.094 -0.058 0.000 1.077 40 V CA 0.129 62.388 62.300 -0.069 0.000 1.000 40 V CB 0.741 32.533 31.823 -0.052 0.000 1.066 40 V HN 0.577 nan 8.190 nan 0.000 0.452 41 G N 2.517 111.280 108.800 -0.061 0.000 2.591 41 G HA2 -0.385 3.574 3.960 -0.001 0.000 0.298 41 G HA3 -0.385 3.574 3.960 -0.001 0.000 0.298 41 G C 0.796 175.668 174.900 -0.048 0.000 1.195 41 G CA 0.832 45.905 45.100 -0.046 0.000 0.989 41 G HN 1.846 nan 8.290 nan 0.000 0.551 42 N N 1.011 119.701 118.700 -0.016 0.000 2.585 42 N HA -0.048 4.692 4.740 -0.001 0.000 0.188 42 N C 1.933 177.445 175.510 0.003 0.000 1.102 42 N CA 1.979 55.034 53.050 0.007 0.000 0.920 42 N CB -0.237 38.267 38.487 0.029 0.000 0.963 42 N HN 0.583 nan 8.380 nan 0.000 0.447 43 M N 0.110 119.697 119.600 -0.022 0.000 2.514 43 M HA 0.083 4.562 4.480 -0.001 0.000 0.258 43 M C 0.892 177.158 176.300 -0.056 0.000 1.119 43 M CA -0.043 55.243 55.300 -0.022 0.000 1.111 43 M CB -0.377 32.206 32.600 -0.028 0.000 1.390 43 M HN 0.144 nan 8.290 nan 0.000 0.475 44 R N 0.786 121.203 120.500 -0.138 0.000 2.538 44 R HA -0.068 4.271 4.340 -0.001 0.000 0.282 44 R C -0.367 175.738 176.300 -0.324 0.000 1.009 44 R CA 0.646 56.541 56.100 -0.342 0.000 1.063 44 R CB 0.121 30.091 30.300 -0.551 0.000 0.945 44 R HN 0.212 nan 8.270 nan 0.000 0.414 45 F N -0.576 119.372 119.950 -0.003 0.000 2.496 45 F HA -0.281 4.246 4.527 -0.001 0.000 0.523 45 F C 0.709 176.487 175.800 -0.037 0.000 0.526 45 F CA 0.942 58.914 58.000 -0.047 0.000 1.272 45 F CB -1.439 37.519 39.000 -0.069 0.000 1.968 45 F HN 0.630 nan 8.300 nan 0.000 0.263 46 R N 1.047 121.617 120.500 0.117 0.000 2.637 46 R HA 0.489 4.829 4.340 -0.001 0.000 0.269 46 R C 0.486 176.812 176.300 0.045 0.000 1.089 46 R CA -0.708 55.436 56.100 0.073 0.000 1.177 46 R CB 0.499 30.829 30.300 0.051 0.000 1.091 46 R HN 0.034 nan 8.270 nan 0.000 0.540 47 R N 2.239 122.765 120.500 0.044 0.000 2.640 47 R HA 0.034 4.374 4.340 -0.001 0.000 0.270 47 R C -1.893 174.431 176.300 0.040 0.000 1.024 47 R CA -0.584 55.542 56.100 0.043 0.000 1.085 47 R CB -0.016 30.315 30.300 0.052 0.000 0.963 47 R HN 0.425 nan 8.270 nan 0.000 0.426 48 P HA 0.037 nan 4.420 nan 0.000 0.274 48 P C -1.041 176.286 177.300 0.045 0.000 1.237 48 P CA -0.108 63.015 63.100 0.038 0.000 0.793 48 P CB 0.840 32.580 31.700 0.067 0.000 0.977 49 E N 1.483 121.698 120.200 0.025 0.000 2.227 49 E HA 0.423 4.772 4.350 -0.001 0.000 0.268 49 E C -2.371 174.255 176.600 0.043 0.000 0.907 49 E CA -2.428 53.995 56.400 0.039 0.000 0.786 49 E CB 0.881 30.598 29.700 0.028 0.000 1.191 49 E HN 0.336 nan 8.360 nan 0.000 0.411 50 P HA -0.057 nan 4.420 nan 0.000 0.266 50 P C -0.882 176.466 177.300 0.080 0.000 1.195 50 P CA -0.132 63.033 63.100 0.109 0.000 0.768 50 P CB 0.424 32.198 31.700 0.123 0.000 0.838 51 K N 3.410 123.863 120.400 0.089 0.000 2.416 51 K HA 0.059 4.379 4.320 -0.001 0.000 0.283 51 K C -0.328 176.358 176.600 0.143 0.000 1.037 51 K CA 0.317 56.650 56.287 0.077 0.000 0.995 51 K CB -0.074 32.464 32.500 0.062 0.000 0.938 51 K HN 0.207 nan 8.250 nan 0.000 0.475 52 K N 6.120 126.600 120.400 0.135 0.000 2.368 52 K HA 0.144 4.464 4.320 -0.001 0.000 0.282 52 K C -2.188 174.520 176.600 0.180 0.000 1.035 52 K CA -1.557 54.807 56.287 0.129 0.000 0.973 52 K CB 0.308 32.876 32.500 0.114 0.000 0.957 52 K HN 0.525 nan 8.250 nan 0.000 0.474 53 P HA -0.108 nan 4.420 nan 0.000 0.267 53 P C -1.255 176.097 177.300 0.086 0.000 1.195 53 P CA 0.124 63.165 63.100 -0.098 0.000 0.773 53 P CB 0.277 31.878 31.700 -0.164 0.000 0.837 54 W N 0.028 121.407 121.300 0.132 0.000 2.882 54 W HA 0.748 5.408 4.660 -0.001 0.000 0.345 54 W C -0.924 175.671 176.519 0.126 0.000 1.125 54 W CA -0.768 56.671 57.345 0.157 0.000 1.167 54 W CB 0.297 29.921 29.460 0.274 0.000 1.431 54 W HN 0.082 nan 8.180 nan 0.000 0.543 55 S N 0.756 116.670 115.700 0.356 0.000 2.687 55 S HA 0.778 5.248 4.470 -0.001 0.000 0.283 55 S C 0.427 175.236 174.600 0.347 0.000 1.170 55 S CA 0.623 58.961 58.200 0.229 0.000 1.008 55 S CB 0.912 64.197 63.200 0.142 0.000 1.026 55 S HN 1.520 nan 8.310 nan 0.000 0.541 56 G N 0.206 109.148 108.800 0.238 0.000 2.632 56 G HA2 -0.161 3.799 3.960 -0.001 0.000 0.224 56 G HA3 -0.161 3.799 3.960 -0.001 0.000 0.224 56 G C -1.084 174.010 174.900 0.324 0.000 1.341 56 G CA -0.398 44.832 45.100 0.217 0.000 0.880 56 G HN 0.995 nan 8.290 nan 0.000 0.566 57 V N 0.573 120.628 119.914 0.236 0.000 2.409 57 V HA 0.493 4.612 4.120 -0.001 0.000 0.291 57 V C 0.240 176.436 176.094 0.170 0.000 1.020 57 V CA -0.558 61.904 62.300 0.269 0.000 0.848 57 V CB 1.775 33.696 31.823 0.163 0.000 0.990 57 V HN 0.730 nan 8.190 nan 0.000 0.430 58 W N 5.365 126.725 121.300 0.101 0.000 2.304 58 W HA 0.188 4.847 4.660 -0.000 0.000 0.313 58 W C 0.315 176.817 176.519 -0.029 0.000 1.323 58 W CA -0.281 56.963 57.345 -0.169 0.000 1.223 58 W CB 0.772 29.957 29.460 -0.460 0.000 1.237 58 W HN 0.643 nan 8.180 nan 0.000 0.535 59 N N 4.773 123.245 118.700 -0.380 0.000 2.399 59 N HA 0.155 4.895 4.740 -0.001 0.000 0.259 59 N C -0.465 175.069 175.510 0.041 0.000 1.160 59 N CA 0.232 53.194 53.050 -0.148 0.000 0.946 59 N CB 0.802 39.143 38.487 -0.243 0.000 1.156 59 N HN 0.372 nan 8.380 nan 0.000 0.489 60 A N 2.871 125.809 122.820 0.196 0.000 3.264 60 A HA 0.215 4.535 4.320 -0.001 0.000 0.299 60 A C 1.015 178.613 177.584 0.023 0.000 1.272 60 A CA -0.421 51.755 52.037 0.230 0.000 1.030 60 A CB -0.469 18.753 19.000 0.370 0.000 1.102 60 A HN 0.642 nan 8.150 nan 0.000 0.615 61 S N -1.022 114.655 115.700 -0.038 0.000 2.512 61 S HA 0.170 4.640 4.470 -0.001 0.000 0.216 61 S C 0.742 175.254 174.600 -0.146 0.000 1.006 61 S CA 0.604 58.735 58.200 -0.115 0.000 0.915 61 S CB -0.182 62.958 63.200 -0.100 0.000 0.824 61 S HN 0.847 nan 8.310 nan 0.000 0.497 62 T N -0.808 113.679 114.554 -0.111 0.000 2.906 62 T HA 0.651 5.001 4.350 -0.001 0.000 0.295 62 T C -0.816 173.858 174.700 -0.043 0.000 1.061 62 T CA -0.747 61.282 62.100 -0.119 0.000 1.000 62 T CB 0.723 69.547 68.868 -0.073 0.000 1.103 62 T HN 0.067 nan 8.240 nan 0.000 0.486 63 Y N 2.836 123.107 120.300 -0.048 0.000 2.683 63 Y HA 0.295 4.844 4.550 -0.001 0.000 0.340 63 Y C -1.350 174.491 175.900 -0.099 0.000 1.245 63 Y CA -1.165 56.907 58.100 -0.047 0.000 1.485 63 Y CB 0.025 38.476 38.460 -0.015 0.000 1.328 63 Y HN 0.549 nan 8.280 nan 0.000 0.603 64 P HA 0.115 nan 4.420 nan 0.000 0.284 64 P C -0.662 176.558 177.300 -0.132 0.000 1.292 64 P CA -0.566 62.417 63.100 -0.195 0.000 0.800 64 P CB 0.939 32.419 31.700 -0.367 0.000 1.188 65 N N 0.177 118.765 118.700 -0.187 0.000 2.371 65 N HA 0.085 4.824 4.740 -0.001 0.000 0.243 65 N C -0.002 175.472 175.510 -0.061 0.000 1.287 65 N CA 0.322 53.310 53.050 -0.103 0.000 0.911 65 N CB -0.299 38.136 38.487 -0.087 0.000 1.142 65 N HN 0.417 nan 8.380 nan 0.000 0.451 66 N N -0.832 117.825 118.700 -0.070 0.000 2.417 66 N HA 0.309 5.048 4.740 -0.001 0.000 0.300 66 N C -0.508 174.960 175.510 -0.070 0.000 1.102 66 N CA -0.695 52.310 53.050 -0.074 0.000 0.886 66 N CB 1.138 39.556 38.487 -0.115 0.000 1.203 66 N HN 0.401 nan 8.380 nan 0.000 0.496 67 c N 1.435 120.000 118.600 -0.058 0.000 2.702 67 c HA -0.012 4.557 4.570 -0.001 0.000 0.411 67 c C 0.770 174.779 174.090 -0.134 0.000 1.286 67 c CA -0.410 55.867 56.329 -0.088 0.000 1.979 67 c CB -0.341 42.147 42.510 -0.037 0.000 2.728 67 c HN 0.530 nan 8.230 nan 0.000 0.652 68 Q N 2.688 122.325 119.800 -0.271 0.000 2.286 68 Q HA 0.214 4.554 4.340 -0.001 0.000 0.290 68 Q C -0.020 175.935 176.000 -0.076 0.000 1.049 68 Q CA 1.012 56.640 55.803 -0.292 0.000 0.923 68 Q CB 0.455 28.770 28.738 -0.706 0.000 1.183 68 Q HN 0.900 nan 8.270 nan 0.000 0.383 69 Q N 1.097 120.939 119.800 0.069 0.000 2.702 69 Q HA 0.249 4.588 4.340 -0.001 0.000 0.289 69 Q C -1.359 174.816 176.000 0.293 0.000 0.923 69 Q CA -0.984 54.961 55.803 0.236 0.000 0.787 69 Q CB 0.519 29.363 28.738 0.177 0.000 1.476 69 Q HN 0.476 nan 8.270 nan 0.000 0.402 70 Y N 1.191 121.688 120.300 0.329 0.000 2.717 70 Y HA 0.316 4.866 4.550 -0.001 0.000 0.330 70 Y C -0.995 175.078 175.900 0.289 0.000 1.217 70 Y CA 0.436 58.756 58.100 0.367 0.000 1.506 70 Y CB 0.801 39.605 38.460 0.573 0.000 1.268 70 Y HN 0.444 nan 8.280 nan 0.000 0.561 71 V N 7.008 126.630 119.914 -0.486 0.000 2.417 71 V HA 0.123 4.242 4.120 -0.001 0.000 0.291 71 V C -0.443 175.331 176.094 -0.533 0.000 1.024 71 V CA -1.016 61.094 62.300 -0.317 0.000 0.861 71 V CB 1.436 33.161 31.823 -0.162 0.000 0.985 71 V HN 0.758 nan 8.190 nan 0.000 0.436 72 D N 3.690 124.018 120.400 -0.121 0.000 2.383 72 D HA 0.123 4.763 4.640 -0.001 0.000 0.252 72 D C 0.597 176.932 176.300 0.058 0.000 1.166 72 D CA 0.428 54.482 54.000 0.090 0.000 0.879 72 D CB 1.036 42.047 40.800 0.352 0.000 1.164 72 D HN 0.684 nan 8.370 nan 0.000 0.462 73 E N 2.010 122.229 120.200 0.032 0.000 2.676 73 E HA -0.007 4.343 4.350 -0.001 0.000 0.222 73 E C 1.107 177.676 176.600 -0.052 0.000 0.968 73 E CA -0.252 56.150 56.400 0.004 0.000 1.090 73 E CB 0.574 30.252 29.700 -0.037 0.000 1.066 73 E HN 0.415 nan 8.360 nan 0.000 0.496 74 Q N -0.421 119.320 119.800 -0.098 0.000 2.152 74 Q HA -0.118 4.222 4.340 -0.001 0.000 0.206 74 Q C -0.000 175.483 176.000 -0.861 0.000 0.985 74 Q CA 1.280 56.750 55.803 -0.555 0.000 0.863 74 Q CB 0.095 28.316 28.738 -0.863 0.000 0.904 74 Q HN 0.204 nan 8.270 nan 0.000 0.422 75 F N -0.216 119.811 119.950 0.128 0.000 2.622 75 F HA 0.342 4.869 4.527 -0.001 0.000 0.338 75 F C -2.177 173.698 175.800 0.125 0.000 1.334 75 F CA -2.847 55.214 58.000 0.100 0.000 1.179 75 F CB 1.006 40.088 39.000 0.136 0.000 1.471 75 F HN -0.209 nan 8.300 nan 0.000 0.576 76 P HA 0.143 nan 4.420 nan 0.000 0.258 76 P C 1.031 178.412 177.300 0.136 0.000 1.172 76 P CA 1.506 64.677 63.100 0.119 0.000 0.762 76 P CB 0.613 32.349 31.700 0.059 0.000 0.764 77 G N 3.010 111.877 108.800 0.112 0.000 2.299 77 G HA2 -0.290 3.669 3.960 -0.001 0.000 0.237 77 G HA3 -0.290 3.669 3.960 -0.001 0.000 0.237 77 G C 0.068 175.034 174.900 0.110 0.000 1.027 77 G CA -0.416 44.733 45.100 0.083 0.000 0.619 77 G HN 0.544 nan 8.290 nan 0.000 0.513 78 F N 3.673 123.615 119.950 -0.014 0.000 2.541 78 F HA 0.491 5.017 4.527 -0.001 0.000 0.378 78 F C 1.682 177.407 175.800 -0.125 0.000 1.068 78 F CA -0.023 57.911 58.000 -0.111 0.000 1.199 78 F CB 1.141 40.055 39.000 -0.143 0.000 1.091 78 F HN 0.299 nan 8.300 nan 0.000 0.555 79 S N 3.433 118.741 115.700 -0.654 0.000 2.428 79 S HA -0.039 4.430 4.470 -0.001 0.000 0.230 79 S C 2.207 176.318 174.600 -0.814 0.000 1.014 79 S CA 0.626 58.480 58.200 -0.576 0.000 0.957 79 S CB -1.073 61.874 63.200 -0.421 0.000 0.784 79 S HN 0.812 nan 8.310 nan 0.000 0.499 80 G N 2.009 109.748 108.800 -1.768 0.000 2.469 80 G HA2 -0.224 3.736 3.960 -0.001 0.000 0.220 80 G HA3 -0.224 3.736 3.960 -0.001 0.000 0.220 80 G C 1.750 176.566 174.900 -0.140 0.000 1.136 80 G CA 1.440 45.721 45.100 -1.364 0.000 0.759 80 G HN 0.792 nan 8.290 nan 0.000 0.562 81 S N -0.151 115.508 115.700 -0.070 0.000 2.427 81 S HA 0.091 4.561 4.470 -0.001 0.000 0.224 81 S C 1.888 176.693 174.600 0.342 0.000 1.047 81 S CA 0.797 59.362 58.200 0.608 0.000 0.953 81 S CB -0.084 63.660 63.200 0.907 0.000 0.824 81 S HN 0.291 nan 8.310 nan 0.000 0.502 82 E N 2.562 122.818 120.200 0.092 0.000 2.160 82 E HA -0.161 4.188 4.350 -0.001 0.000 0.195 82 E C 2.114 178.653 176.600 -0.101 0.000 0.991 82 E CA 1.467 57.874 56.400 0.011 0.000 0.810 82 E CB -0.611 29.060 29.700 -0.049 0.000 0.742 82 E HN 0.882 nan 8.360 nan 0.000 0.466 83 M N -2.056 117.397 119.600 -0.246 0.000 2.435 83 M HA -0.094 4.385 4.480 -0.001 0.000 0.262 83 M C 1.221 177.134 176.300 -0.645 0.000 1.065 83 M CA 1.438 56.449 55.300 -0.482 0.000 1.076 83 M CB -0.424 31.785 32.600 -0.652 0.000 1.403 83 M HN 0.001 nan 8.290 nan 0.000 0.454 84 W N 0.726 121.949 121.300 -0.128 0.000 2.996 84 W HA 0.286 4.946 4.660 -0.001 0.000 0.270 84 W C 0.535 176.969 176.519 -0.142 0.000 1.280 84 W CA -0.764 56.485 57.345 -0.159 0.000 1.549 84 W CB -0.170 29.214 29.460 -0.126 0.000 1.079 84 W HN 0.101 nan 8.180 nan 0.000 0.629 85 N N 1.652 120.390 118.700 0.063 0.000 2.415 85 N HA 0.091 4.831 4.740 -0.001 0.000 0.248 85 N C -2.415 173.055 175.510 -0.068 0.000 1.271 85 N CA -1.214 51.846 53.050 0.016 0.000 0.913 85 N CB -0.199 38.298 38.487 0.017 0.000 1.129 85 N HN -0.326 nan 8.380 nan 0.000 0.444 86 P HA 0.038 nan 4.420 nan 0.000 0.265 86 P C 0.157 177.392 177.300 -0.108 0.000 1.193 86 P CA 0.086 63.121 63.100 -0.109 0.000 0.765 86 P CB 0.298 31.947 31.700 -0.086 0.000 0.823 87 N N 2.185 120.806 118.700 -0.132 0.000 2.234 87 N HA 0.089 4.829 4.740 -0.001 0.000 0.227 87 N C 0.048 175.507 175.510 -0.084 0.000 1.151 87 N CA -0.098 52.886 53.050 -0.111 0.000 0.865 87 N CB 0.433 38.839 38.487 -0.136 0.000 1.066 87 N HN 0.199 nan 8.380 nan 0.000 0.515 88 R N -0.225 120.224 120.500 -0.086 0.000 2.855 88 R HA 0.329 4.669 4.340 -0.001 0.000 0.266 88 R C -0.670 175.591 176.300 -0.064 0.000 1.034 88 R CA -0.752 55.309 56.100 -0.065 0.000 0.944 88 R CB 0.985 31.240 30.300 -0.074 0.000 1.219 88 R HN 0.059 nan 8.270 nan 0.000 0.474 89 E N 1.040 121.206 120.200 -0.057 0.000 2.437 89 E HA 0.020 4.370 4.350 -0.001 0.000 0.263 89 E C -0.257 176.303 176.600 -0.067 0.000 1.030 89 E CA 0.591 56.957 56.400 -0.057 0.000 0.934 89 E CB 0.532 30.199 29.700 -0.055 0.000 0.943 89 E HN 0.239 nan 8.360 nan 0.000 0.444 90 M N 1.764 121.324 119.600 -0.066 0.000 2.314 90 M HA 0.338 4.817 4.480 -0.001 0.000 0.342 90 M C -0.398 175.848 176.300 -0.090 0.000 1.171 90 M CA -0.196 55.055 55.300 -0.081 0.000 1.098 90 M CB 1.596 34.150 32.600 -0.078 0.000 1.559 90 M HN 0.398 nan 8.290 nan 0.000 0.459 91 S N 0.450 116.084 115.700 -0.110 0.000 2.543 91 S HA 0.214 4.684 4.470 -0.001 0.000 0.274 91 S C 0.013 174.520 174.600 -0.155 0.000 1.149 91 S CA -0.667 57.465 58.200 -0.114 0.000 0.866 91 S CB 1.429 64.589 63.200 -0.067 0.000 1.111 91 S HN 0.842 nan 8.310 nan 0.000 0.457 92 E N 1.008 121.095 120.200 -0.188 0.000 2.268 92 E HA -0.087 4.262 4.350 -0.001 0.000 0.195 92 E C -0.244 176.289 176.600 -0.112 0.000 0.995 92 E CA 0.548 56.816 56.400 -0.220 0.000 0.836 92 E CB 0.107 29.679 29.700 -0.213 0.000 0.763 92 E HN 0.515 nan 8.360 nan 0.000 0.491 93 D N 0.388 120.757 120.400 -0.051 0.000 2.483 93 D HA -0.002 4.637 4.640 -0.001 0.000 0.220 93 D C -0.008 176.375 176.300 0.138 0.000 1.173 93 D CA -0.264 53.753 54.000 0.028 0.000 0.964 93 D CB -0.003 40.832 40.800 0.059 0.000 1.046 93 D HN 0.130 nan 8.370 nan 0.000 0.517 94 c N 2.450 121.114 118.600 0.105 0.000 3.722 94 c HA 0.374 4.943 4.570 -0.001 0.000 0.279 94 c C 0.639 174.823 174.090 0.157 0.000 1.819 94 c CA -0.682 55.773 56.329 0.209 0.000 1.744 94 c CB -1.291 41.257 42.510 0.064 0.000 3.247 94 c HN 0.430 nan 8.230 nan 0.000 0.549 95 L N 2.536 123.595 121.223 -0.273 0.000 2.387 95 L HA 0.411 4.750 4.340 -0.001 0.000 0.267 95 L C -0.821 175.289 176.870 -1.267 0.000 1.197 95 L CA 0.450 54.882 54.840 -0.679 0.000 1.070 95 L CB -0.664 40.871 42.059 -0.873 0.000 1.349 95 L HN 0.369 nan 8.230 nan 0.000 0.422 96 Y N 1.894 122.095 120.300 -0.164 0.000 2.602 96 Y HA 0.699 5.249 4.550 -0.000 0.000 0.342 96 Y C -0.070 176.011 175.900 0.301 0.000 1.029 96 Y CA -1.299 56.788 58.100 -0.021 0.000 1.080 96 Y CB 1.852 40.284 38.460 -0.047 0.000 1.284 96 Y HN 0.175 nan 8.280 nan 0.000 0.485 97 L N -0.266 121.138 121.223 0.302 0.000 2.350 97 L HA 0.753 5.092 4.340 -0.001 0.000 0.260 97 L C -1.319 175.604 176.870 0.089 0.000 1.015 97 L CA -1.281 53.667 54.840 0.179 0.000 0.821 97 L CB 1.747 43.817 42.059 0.019 0.000 1.370 97 L HN 0.469 nan 8.230 nan 0.000 0.416 98 N N 1.404 120.157 118.700 0.088 0.000 2.272 98 N HA 0.750 5.490 4.740 -0.001 0.000 0.305 98 N C -1.305 174.138 175.510 -0.112 0.000 1.103 98 N CA -0.227 52.785 53.050 -0.063 0.000 0.791 98 N CB 2.748 41.195 38.487 -0.066 0.000 1.356 98 N HN 0.671 nan 8.380 nan 0.000 0.486 99 I N 0.376 120.788 120.570 -0.263 0.000 2.478 99 I HA 0.360 4.530 4.170 -0.001 0.000 0.287 99 I C -0.798 175.261 176.117 -0.097 0.000 1.042 99 I CA -0.699 60.544 61.300 -0.095 0.000 1.067 99 I CB 2.134 40.007 38.000 -0.212 0.000 1.233 99 I HN 0.233 nan 8.210 nan 0.000 0.431 100 W N 5.935 127.360 121.300 0.208 0.000 2.429 100 W HA 0.594 5.254 4.660 -0.001 0.000 0.314 100 W C -0.929 175.723 176.519 0.221 0.000 1.062 100 W CA -0.681 56.784 57.345 0.201 0.000 1.211 100 W CB 2.133 31.684 29.460 0.152 0.000 1.305 100 W HN 0.100 nan 8.180 nan 0.000 0.476 101 V N 5.157 125.334 119.914 0.438 0.000 2.487 101 V HA 0.268 4.388 4.120 -0.001 0.000 0.298 101 V C -1.994 174.293 176.094 0.322 0.000 1.028 101 V CA -2.396 60.132 62.300 0.379 0.000 0.860 101 V CB 1.888 33.995 31.823 0.473 0.000 0.991 101 V HN 0.266 nan 8.190 nan 0.000 0.427 102 P HA 0.091 nan 4.420 nan 0.000 0.269 102 P C -0.528 176.898 177.300 0.211 0.000 1.211 102 P CA 0.305 63.535 63.100 0.217 0.000 0.781 102 P CB 0.506 32.294 31.700 0.147 0.000 0.877 103 S N 1.337 117.158 115.700 0.202 0.000 2.594 103 S HA 0.564 5.034 4.470 -0.001 0.000 0.296 103 S C -2.546 172.142 174.600 0.146 0.000 1.124 103 S CA -1.522 56.783 58.200 0.175 0.000 1.011 103 S CB 0.308 63.616 63.200 0.180 0.000 1.016 103 S HN 0.261 nan 8.310 nan 0.000 0.485 104 P HA 0.192 nan 4.420 nan 0.000 0.272 104 P C -0.517 176.855 177.300 0.120 0.000 1.230 104 P CA -0.580 62.585 63.100 0.109 0.000 0.788 104 P CB 0.412 32.161 31.700 0.082 0.000 0.949 105 R N 2.116 122.695 120.500 0.132 0.000 2.504 105 R HA 0.061 4.401 4.340 -0.001 0.000 0.291 105 R C -1.847 174.517 176.300 0.107 0.000 0.974 105 R CA -0.764 55.423 56.100 0.144 0.000 1.077 105 R CB -0.530 29.857 30.300 0.145 0.000 0.926 105 R HN 0.380 nan 8.270 nan 0.000 0.407 106 P HA 0.037 nan 4.420 nan 0.000 0.273 106 P C -0.185 177.149 177.300 0.057 0.000 1.250 106 P CA -0.316 62.830 63.100 0.076 0.000 0.793 106 P CB 0.693 32.441 31.700 0.081 0.000 1.011 107 K N -0.597 119.824 120.400 0.035 0.000 2.214 107 K HA 0.159 4.479 4.320 -0.001 0.000 0.201 107 K C 0.500 177.098 176.600 -0.002 0.000 1.049 107 K CA 0.911 57.207 56.287 0.015 0.000 0.978 107 K CB -0.108 32.397 32.500 0.008 0.000 0.842 107 K HN 0.314 nan 8.250 nan 0.000 0.474 108 S N 1.505 117.206 115.700 0.002 0.000 2.689 108 S HA 0.152 4.621 4.470 -0.001 0.000 0.151 108 S C -0.797 173.803 174.600 -0.000 0.000 1.155 108 S CA -0.495 57.698 58.200 -0.012 0.000 1.144 108 S CB 0.058 63.240 63.200 -0.030 0.000 1.526 108 S HN 0.320 nan 8.310 nan 0.000 0.419 109 T N 0.075 114.640 114.554 0.017 0.000 2.938 109 T HA 0.638 4.988 4.350 -0.001 0.000 0.285 109 T C 0.200 174.912 174.700 0.021 0.000 1.028 109 T CA -0.693 61.419 62.100 0.020 0.000 1.005 109 T CB 0.922 69.811 68.868 0.035 0.000 1.157 109 T HN 0.262 nan 8.240 nan 0.000 0.550 110 T N 1.587 116.148 114.554 0.013 0.000 2.905 110 T HA 0.340 4.690 4.350 -0.001 0.000 0.299 110 T C -0.017 174.705 174.700 0.037 0.000 1.024 110 T CA -0.240 61.865 62.100 0.008 0.000 1.151 110 T CB -0.014 68.846 68.868 -0.012 0.000 0.987 110 T HN 0.542 nan 8.240 nan 0.000 0.535 111 V N 5.299 125.241 119.914 0.047 0.000 2.459 111 V HA 0.486 4.605 4.120 -0.001 0.000 0.295 111 V C 0.045 176.196 176.094 0.095 0.000 1.029 111 V CA -0.736 61.615 62.300 0.086 0.000 0.874 111 V CB 1.633 33.511 31.823 0.092 0.000 0.985 111 V HN 0.836 nan 8.190 nan 0.000 0.438 112 M N 4.599 124.282 119.600 0.137 0.000 2.253 112 M HA 0.583 5.062 4.480 -0.001 0.000 0.314 112 M C -1.311 175.221 176.300 0.386 0.000 1.019 112 M CA -0.677 54.721 55.300 0.162 0.000 0.932 112 M CB 2.265 34.848 32.600 -0.028 0.000 1.606 112 M HN 0.359 nan 8.290 nan 0.000 0.430 113 V N 3.095 123.289 119.914 0.467 0.000 2.378 113 V HA 0.345 4.464 4.120 -0.001 0.000 0.288 113 V C -0.865 175.554 176.094 0.543 0.000 1.016 113 V CA -0.662 61.899 62.300 0.435 0.000 0.840 113 V CB 1.588 33.534 31.823 0.204 0.000 0.994 113 V HN 0.862 nan 8.190 nan 0.000 0.431 114 W N 6.975 128.415 121.300 0.233 0.000 2.351 114 W HA 0.639 5.299 4.660 -0.000 0.000 0.311 114 W C -1.326 175.102 176.519 -0.152 0.000 1.168 114 W CA -0.726 56.498 57.345 -0.202 0.000 1.200 114 W CB 1.216 30.590 29.460 -0.144 0.000 1.221 114 W HN 0.438 nan 8.180 nan 0.000 0.519 115 I N 9.113 129.033 120.570 -1.083 0.000 2.420 115 I HA 0.066 4.236 4.170 -0.001 0.000 0.282 115 I C -0.296 175.066 176.117 -1.259 0.000 1.019 115 I CA -1.125 59.645 61.300 -0.883 0.000 1.130 115 I CB 0.705 38.370 38.000 -0.558 0.000 1.262 115 I HN 0.306 nan 8.210 nan 0.000 0.454 116 Y N 4.527 124.381 120.300 -0.745 0.000 2.457 116 Y HA 0.631 5.181 4.550 -0.001 0.000 0.341 116 Y C 0.792 176.538 175.900 -0.257 0.000 1.240 116 Y CA -0.760 57.021 58.100 -0.531 0.000 1.437 116 Y CB -0.075 38.317 38.460 -0.113 0.000 1.328 116 Y HN 0.533 nan 8.280 nan 0.000 0.588 117 G N -0.618 108.217 108.800 0.060 0.000 2.531 117 G HA2 0.483 4.443 3.960 -0.001 0.000 0.281 117 G HA3 0.483 4.443 3.960 -0.001 0.000 0.281 117 G C 0.324 175.183 174.900 -0.068 0.000 1.382 117 G CA -0.887 44.161 45.100 -0.086 0.000 1.045 117 G HN 1.740 nan 8.290 nan 0.000 0.533 118 G N -2.924 105.646 108.800 -0.384 0.000 2.207 118 G HA2 0.404 4.363 3.960 -0.001 0.000 0.193 118 G HA3 0.404 4.363 3.960 -0.001 0.000 0.193 118 G C 1.050 175.372 174.900 -0.964 0.000 1.050 118 G CA 0.703 45.450 45.100 -0.589 0.000 0.780 118 G HN 2.300 nan 8.290 nan 0.000 0.504 119 G N -0.449 107.787 108.800 -0.940 0.000 2.212 119 G HA2 -0.142 3.818 3.960 -0.001 0.000 0.267 119 G HA3 -0.142 3.818 3.960 -0.001 0.000 0.267 119 G C 0.959 175.589 174.900 -0.449 0.000 1.002 119 G CA 0.894 45.315 45.100 -1.132 0.000 0.729 119 G HN 1.739 nan 8.290 nan 0.000 0.517 120 F N -3.518 116.333 119.950 -0.165 0.000 2.825 120 F HA -0.315 4.212 4.527 -0.001 0.000 0.358 120 F C 1.497 177.403 175.800 0.177 0.000 0.639 120 F CA 2.099 60.105 58.000 0.010 0.000 1.153 120 F CB -2.071 36.781 39.000 -0.246 0.000 1.610 120 F HN 0.881 nan 8.300 nan 0.000 0.305 121 Y N -0.885 119.500 120.300 0.142 0.000 2.481 121 Y HA 0.670 5.219 4.550 -0.001 0.000 0.247 121 Y C 0.651 176.677 175.900 0.209 0.000 1.151 121 Y CA 0.265 58.479 58.100 0.191 0.000 1.238 121 Y CB 0.026 38.529 38.460 0.071 0.000 1.179 121 Y HN 0.122 nan 8.280 nan 0.000 0.524 122 S N -1.009 114.556 115.700 -0.226 0.000 2.703 122 S HA 0.844 5.314 4.470 -0.001 0.000 0.273 122 S C -0.290 174.189 174.600 -0.202 0.000 1.178 122 S CA -0.483 57.627 58.200 -0.150 0.000 0.838 122 S CB 1.320 64.412 63.200 -0.179 0.000 1.178 122 S HN 1.317 nan 8.310 nan 0.000 0.494 123 G N -0.395 108.247 108.800 -0.262 0.000 2.402 123 G HA2 0.439 4.398 3.960 -0.001 0.000 0.666 123 G HA3 0.439 4.398 3.960 -0.001 0.000 0.666 123 G C -1.045 173.218 174.900 -1.062 0.000 1.402 123 G CA -0.265 44.506 45.100 -0.548 0.000 0.920 123 G HN 1.414 nan 8.290 nan 0.000 0.651 124 S N -1.049 113.984 115.700 -1.113 0.000 2.541 124 S HA 0.719 5.189 4.470 -0.001 0.000 0.271 124 S C 0.896 175.296 174.600 -0.333 0.000 1.133 124 S CA 0.106 57.864 58.200 -0.736 0.000 0.876 124 S CB 1.832 64.829 63.200 -0.338 0.000 1.105 124 S HN 1.927 nan 8.310 nan 0.000 0.470 125 S N -0.335 115.365 115.700 0.001 0.000 2.548 125 S HA -0.023 4.446 4.470 -0.001 0.000 0.215 125 S C 1.334 176.017 174.600 0.139 0.000 0.976 125 S CA 0.683 59.094 58.200 0.352 0.000 0.908 125 S CB -0.506 62.941 63.200 0.413 0.000 0.781 125 S HN 0.824 nan 8.310 nan 0.000 0.519 126 T N 0.375 114.808 114.554 -0.202 0.000 3.086 126 T HA 0.405 4.755 4.350 -0.001 0.000 0.250 126 T C 0.539 174.928 174.700 -0.519 0.000 1.074 126 T CA -0.522 61.150 62.100 -0.713 0.000 0.988 126 T CB -0.615 67.699 68.868 -0.924 0.000 0.988 126 T HN 0.314 nan 8.240 nan 0.000 0.530 127 L N 1.831 122.848 121.223 -0.343 0.000 2.483 127 L HA 0.172 4.511 4.340 -0.001 0.000 0.275 127 L C 1.353 177.985 176.870 -0.397 0.000 1.220 127 L CA -0.530 54.038 54.840 -0.454 0.000 0.833 127 L CB 0.319 41.911 42.059 -0.778 0.000 1.102 127 L HN 0.044 nan 8.230 nan 0.000 0.490 128 D N 0.787 120.972 120.400 -0.358 0.000 2.144 128 D HA -0.124 4.515 4.640 -0.001 0.000 0.199 128 D C 1.999 178.091 176.300 -0.347 0.000 0.984 128 D CA 1.149 55.001 54.000 -0.247 0.000 0.834 128 D CB -0.065 40.613 40.800 -0.203 0.000 0.955 128 D HN 0.485 nan 8.370 nan 0.000 0.465 129 V N -0.790 118.769 119.914 -0.591 0.000 2.913 129 V HA -0.175 3.944 4.120 -0.001 0.000 0.260 129 V C 1.263 176.926 176.094 -0.718 0.000 1.098 129 V CA 1.067 63.001 62.300 -0.610 0.000 1.121 129 V CB -1.120 30.242 31.823 -0.767 0.000 0.714 129 V HN 0.091 nan 8.190 nan 0.000 0.487 130 Y N -0.042 119.844 120.300 -0.690 0.000 2.524 130 Y HA 0.405 4.954 4.550 -0.001 0.000 0.266 130 Y C 1.133 176.635 175.900 -0.664 0.000 1.180 130 Y CA -1.740 55.682 58.100 -1.131 0.000 1.244 130 Y CB -0.992 37.057 38.460 -0.684 0.000 1.125 130 Y HN 0.246 nan 8.280 nan 0.000 0.524 131 N N 1.593 120.138 118.700 -0.259 0.000 2.429 131 N HA -0.042 4.698 4.740 -0.001 0.000 0.271 131 N C 1.333 176.502 175.510 -0.568 0.000 1.272 131 N CA 0.662 53.524 53.050 -0.313 0.000 0.921 131 N CB 1.099 39.492 38.487 -0.158 0.000 1.128 131 N HN 0.490 nan 8.380 nan 0.000 0.481 132 G N 3.480 111.401 108.800 -1.464 0.000 2.848 132 G HA2 -0.201 3.758 3.960 -0.001 0.000 0.208 132 G HA3 -0.201 3.758 3.960 -0.001 0.000 0.208 132 G C 1.462 175.779 174.900 -0.971 0.000 1.152 132 G CA 0.396 44.900 45.100 -0.992 0.000 0.789 132 G HN 0.763 nan 8.290 nan 0.000 0.531 133 K N -0.308 119.295 120.400 -1.328 0.000 2.097 133 K HA -0.137 4.183 4.320 -0.001 0.000 0.206 133 K C 1.744 178.088 176.600 -0.427 0.000 1.049 133 K CA 1.062 56.913 56.287 -0.727 0.000 0.933 133 K CB -0.560 31.581 32.500 -0.599 0.000 0.717 133 K HN 0.382 nan 8.250 nan 0.000 0.442 134 Y N 0.881 121.092 120.300 -0.147 0.000 2.293 134 Y HA -0.127 4.423 4.550 -0.001 0.000 0.291 134 Y C 2.302 178.197 175.900 -0.009 0.000 1.137 134 Y CA 0.577 58.652 58.100 -0.043 0.000 1.202 134 Y CB -0.124 38.286 38.460 -0.083 0.000 0.990 134 Y HN 0.079 nan 8.280 nan 0.000 0.537 135 L N -0.210 121.021 121.223 0.013 0.000 2.249 135 L HA 0.157 4.497 4.340 -0.001 0.000 0.207 135 L C 2.269 179.146 176.870 0.012 0.000 1.090 135 L CA 1.472 56.290 54.840 -0.035 0.000 0.802 135 L CB -0.915 41.028 42.059 -0.193 0.000 0.947 135 L HN 0.077 nan 8.230 nan 0.000 0.453 136 A N -0.815 122.031 122.820 0.043 0.000 1.858 136 A HA -0.292 4.028 4.320 -0.001 0.000 0.216 136 A C 2.323 179.982 177.584 0.126 0.000 1.190 136 A CA 1.935 54.047 52.037 0.125 0.000 0.617 136 A CB -1.326 17.814 19.000 0.232 0.000 0.827 136 A HN 0.606 nan 8.150 nan 0.000 0.443 137 Y N 1.149 121.467 120.300 0.030 0.000 2.128 137 Y HA -0.225 4.325 4.550 -0.001 0.000 0.284 137 Y C 2.638 178.559 175.900 0.035 0.000 1.154 137 Y CA 2.555 60.676 58.100 0.037 0.000 1.149 137 Y CB -0.462 38.005 38.460 0.010 0.000 0.976 137 Y HN 0.316 nan 8.280 nan 0.000 0.505 138 T N -0.044 114.486 114.554 -0.041 0.000 2.851 138 T HA -0.088 4.262 4.350 -0.001 0.000 0.262 138 T C 1.318 175.947 174.700 -0.119 0.000 1.043 138 T CA 1.438 63.456 62.100 -0.137 0.000 1.140 138 T CB -0.076 68.804 68.868 0.021 0.000 0.872 138 T HN 0.285 nan 8.240 nan 0.000 0.446 139 E N 0.597 120.775 120.200 -0.038 0.000 2.474 139 E HA 0.108 4.458 4.350 -0.001 0.000 0.195 139 E C 0.389 176.990 176.600 0.001 0.000 1.039 139 E CA 0.077 56.484 56.400 0.011 0.000 0.881 139 E CB 0.119 29.842 29.700 0.038 0.000 0.970 139 E HN 0.503 nan 8.360 nan 0.000 0.486 140 E N 0.216 120.399 120.200 -0.029 0.000 2.320 140 E HA -0.173 4.176 4.350 -0.001 0.000 0.234 140 E C -0.827 175.797 176.600 0.039 0.000 1.183 140 E CA 0.487 56.886 56.400 -0.003 0.000 0.713 140 E CB -1.706 27.984 29.700 -0.017 0.000 1.226 140 E HN 0.103 nan 8.360 nan 0.000 0.382 141 V N -2.328 117.621 119.914 0.059 0.000 2.864 141 V HA 0.783 4.903 4.120 -0.001 0.000 0.314 141 V C 0.476 176.648 176.094 0.129 0.000 1.073 141 V CA -0.863 61.481 62.300 0.074 0.000 0.956 141 V CB 2.258 34.110 31.823 0.048 0.000 1.023 141 V HN 0.029 nan 8.190 nan 0.000 0.435 142 V N 4.246 124.244 119.914 0.140 0.000 2.427 142 V HA 0.313 4.432 4.120 -0.001 0.000 0.268 142 V C 0.006 176.232 176.094 0.220 0.000 1.046 142 V CA 0.002 62.416 62.300 0.191 0.000 0.970 142 V CB 0.918 32.839 31.823 0.163 0.000 1.001 142 V HN 0.770 nan 8.190 nan 0.000 0.476 143 L N 7.435 128.846 121.223 0.313 0.000 2.272 143 L HA 0.595 4.934 4.340 -0.001 0.000 0.289 143 L C -0.368 176.800 176.870 0.495 0.000 1.032 143 L CA 0.315 55.395 54.840 0.398 0.000 0.810 143 L CB 1.471 43.778 42.059 0.414 0.000 1.205 143 L HN 0.424 nan 8.230 nan 0.000 0.422 144 V N 3.564 123.742 119.914 0.440 0.000 2.555 144 V HA 0.661 4.780 4.120 -0.001 0.000 0.302 144 V C -0.345 176.036 176.094 0.480 0.000 1.038 144 V CA -0.515 62.016 62.300 0.384 0.000 0.887 144 V CB 2.022 33.982 31.823 0.227 0.000 0.991 144 V HN 0.866 nan 8.190 nan 0.000 0.434 145 S N 4.844 120.828 115.700 0.473 0.000 2.519 145 S HA 0.843 5.313 4.470 -0.001 0.000 0.309 145 S C -0.752 174.033 174.600 0.309 0.000 1.100 145 S CA -0.801 57.695 58.200 0.493 0.000 1.059 145 S CB 1.634 65.225 63.200 0.652 0.000 1.008 145 S HN 0.641 nan 8.310 nan 0.000 0.478 146 L N 0.503 121.842 121.223 0.194 0.000 2.492 146 L HA 1.001 5.340 4.340 -0.001 0.000 0.263 146 L C 0.160 177.159 176.870 0.215 0.000 1.062 146 L CA -0.720 54.183 54.840 0.105 0.000 0.817 146 L CB 0.252 42.246 42.059 -0.108 0.000 1.441 146 L HN 0.872 nan 8.230 nan 0.000 0.493 147 S N -1.510 114.364 115.700 0.291 0.000 2.627 147 S HA 0.895 5.365 4.470 -0.001 0.000 0.283 147 S C -1.308 173.527 174.600 0.391 0.000 1.127 147 S CA -0.491 57.923 58.200 0.357 0.000 0.863 147 S CB 1.596 65.048 63.200 0.419 0.000 1.121 147 S HN 1.214 nan 8.310 nan 0.000 0.479 148 Y N -1.616 118.818 120.300 0.224 0.000 2.558 148 Y HA 0.667 5.217 4.550 -0.001 0.000 0.333 148 Y C -0.730 175.315 175.900 0.242 0.000 1.125 148 Y CA -1.341 56.877 58.100 0.196 0.000 1.039 148 Y CB 0.700 39.222 38.460 0.103 0.000 1.331 148 Y HN 0.794 nan 8.280 nan 0.000 0.456 149 R N 1.935 122.589 120.500 0.257 0.000 2.570 149 R HA 0.490 4.830 4.340 -0.001 0.000 0.277 149 R C -0.156 176.358 176.300 0.357 0.000 1.039 149 R CA 0.060 56.278 56.100 0.196 0.000 1.065 149 R CB 0.729 31.106 30.300 0.129 0.000 0.964 149 R HN 0.695 nan 8.270 nan 0.000 0.428 150 V N -0.106 120.032 119.914 0.374 0.000 3.181 150 V HA 0.894 5.014 4.120 -0.001 0.000 0.314 150 V C 0.744 177.189 176.094 0.586 0.000 1.173 150 V CA -0.156 62.487 62.300 0.571 0.000 1.052 150 V CB 1.163 33.215 31.823 0.380 0.000 1.123 150 V HN 0.972 nan 8.190 nan 0.000 0.454 151 G N 0.478 109.654 108.800 0.627 0.000 2.564 151 G HA2 0.015 3.975 3.960 -0.001 0.000 0.273 151 G HA3 0.015 3.975 3.960 -0.001 0.000 0.273 151 G C 1.000 176.083 174.900 0.305 0.000 1.242 151 G CA 1.051 46.456 45.100 0.509 0.000 0.951 151 G HN 2.193 nan 8.290 nan 0.000 0.564 152 A N -1.289 121.389 122.820 -0.236 0.000 1.930 152 A HA 0.288 4.608 4.320 -0.001 0.000 0.217 152 A C 2.250 179.677 177.584 -0.262 0.000 1.175 152 A CA 2.447 53.996 52.037 -0.813 0.000 0.627 152 A CB -0.502 17.822 19.000 -1.126 0.000 0.815 152 A HN 0.950 nan 8.150 nan 0.000 0.443 153 F N 0.261 120.255 119.950 0.073 0.000 2.154 153 F HA -0.095 4.431 4.527 -0.001 0.000 0.301 153 F C 2.467 178.274 175.800 0.013 0.000 1.087 153 F CA 1.292 59.310 58.000 0.030 0.000 1.274 153 F CB -0.723 38.256 39.000 -0.036 0.000 1.009 153 F HN 0.292 nan 8.300 nan 0.000 0.485 154 G N -2.540 106.357 108.800 0.162 0.000 2.921 154 G HA2 0.063 4.023 3.960 -0.001 0.000 0.213 154 G HA3 0.063 4.023 3.960 -0.001 0.000 0.213 154 G C 0.736 175.095 174.900 -0.902 0.000 1.143 154 G CA 0.117 45.057 45.100 -0.266 0.000 0.764 154 G HN 0.346 nan 8.290 nan 0.000 0.542 155 F N -0.662 119.378 119.950 0.150 0.000 2.899 155 F HA 0.414 4.941 4.527 -0.001 0.000 0.337 155 F C 0.281 176.150 175.800 0.114 0.000 1.129 155 F CA -1.066 57.007 58.000 0.121 0.000 1.128 155 F CB 0.375 39.472 39.000 0.162 0.000 1.154 155 F HN -0.093 nan 8.300 nan 0.000 0.531 156 L N 2.276 123.502 121.223 0.004 0.000 2.540 156 L HA 0.453 4.792 4.340 -0.001 0.000 0.276 156 L C 0.169 177.020 176.870 -0.032 0.000 1.212 156 L CA 0.242 54.993 54.840 -0.149 0.000 0.893 156 L CB 0.335 42.032 42.059 -0.603 0.000 1.138 156 L HN 0.164 nan 8.230 nan 0.000 0.491 157 A N 6.990 129.839 122.820 0.049 0.000 2.363 157 A HA 0.618 4.937 4.320 -0.001 0.000 0.296 157 A C -0.844 176.757 177.584 0.030 0.000 1.237 157 A CA -0.477 51.589 52.037 0.048 0.000 0.773 157 A CB 0.484 19.541 19.000 0.096 0.000 1.153 157 A HN 0.698 nan 8.150 nan 0.000 0.473 158 L N 3.588 124.816 121.223 0.008 0.000 2.506 158 L HA 0.243 4.583 4.340 -0.001 0.000 0.247 158 L C 0.096 177.000 176.870 0.056 0.000 1.141 158 L CA -0.800 54.047 54.840 0.012 0.000 0.973 158 L CB 0.251 42.285 42.059 -0.042 0.000 1.319 158 L HN 0.869 nan 8.230 nan 0.000 0.455 159 H N 1.786 120.854 119.070 -0.002 0.000 3.140 159 H HA 0.219 4.775 4.556 -0.001 0.000 0.316 159 H C 1.139 176.471 175.328 0.007 0.000 0.986 159 H CA 1.594 57.648 56.048 0.010 0.000 1.397 159 H CB 0.754 30.526 29.762 0.016 0.000 1.377 159 H HN 0.695 nan 8.280 nan 0.000 0.585 160 G N 2.640 111.133 108.800 -0.512 0.000 2.376 160 G HA2 -0.267 3.693 3.960 -0.001 0.000 0.208 160 G HA3 -0.267 3.693 3.960 -0.001 0.000 0.208 160 G C 0.474 175.276 174.900 -0.162 0.000 1.032 160 G CA 0.165 45.058 45.100 -0.344 0.000 0.641 160 G HN 0.911 nan 8.290 nan 0.000 0.503 161 S N 0.438 116.080 115.700 -0.096 0.000 2.565 161 S HA 0.544 5.014 4.470 -0.001 0.000 0.276 161 S C 1.134 175.716 174.600 -0.030 0.000 1.326 161 S CA 0.284 58.456 58.200 -0.047 0.000 1.045 161 S CB 1.349 64.532 63.200 -0.029 0.000 0.918 161 S HN 0.261 nan 8.310 nan 0.000 0.505 162 Q N 1.894 121.688 119.800 -0.011 0.000 2.356 162 Q HA 0.160 4.499 4.340 -0.001 0.000 0.205 162 Q C 1.195 177.211 176.000 0.026 0.000 0.901 162 Q CA 0.318 56.125 55.803 0.006 0.000 0.938 162 Q CB 0.136 28.878 28.738 0.007 0.000 1.081 162 Q HN 0.694 nan 8.270 nan 0.000 0.517 163 E N 0.590 120.808 120.200 0.030 0.000 2.158 163 E HA 0.040 4.389 4.350 -0.001 0.000 0.191 163 E C 0.183 176.832 176.600 0.082 0.000 0.982 163 E CA 0.627 57.062 56.400 0.059 0.000 0.823 163 E CB 0.410 30.149 29.700 0.065 0.000 0.766 163 E HN 0.136 nan 8.360 nan 0.000 0.468 164 A N 1.341 124.183 122.820 0.036 0.000 3.409 164 A HA 0.279 4.599 4.320 -0.001 0.000 0.282 164 A C -2.055 175.529 177.584 0.000 0.000 1.064 164 A CA -0.862 51.183 52.037 0.014 0.000 0.889 164 A CB 0.633 19.548 19.000 -0.142 0.000 1.251 164 A HN -0.103 nan 8.150 nan 0.000 0.538 165 P HA 0.109 nan 4.420 nan 0.000 0.226 165 P C 0.895 178.248 177.300 0.088 0.000 1.153 165 P CA 1.827 64.964 63.100 0.062 0.000 0.777 165 P CB 0.147 31.885 31.700 0.063 0.000 0.794 166 G N 0.670 109.498 108.800 0.047 0.000 2.707 166 G HA2 -0.172 3.787 3.960 -0.001 0.000 0.686 166 G HA3 -0.172 3.787 3.960 -0.001 0.000 0.686 166 G C -0.094 174.806 174.900 -0.001 0.000 1.315 166 G CA -0.298 44.830 45.100 0.048 0.000 0.832 166 G HN 0.118 nan 8.290 nan 0.000 0.573 167 N N -2.431 116.254 118.700 -0.026 0.000 2.778 167 N HA -0.290 4.449 4.740 -0.001 0.000 0.249 167 N C 1.960 177.307 175.510 -0.271 0.000 1.069 167 N CA 2.550 55.513 53.050 -0.145 0.000 0.831 167 N CB -1.659 36.699 38.487 -0.215 0.000 1.142 167 N HN 1.951 nan 8.380 nan 0.000 0.573 168 V N -2.583 117.167 119.914 -0.273 0.000 2.594 168 V HA -0.026 4.093 4.120 -0.001 0.000 0.253 168 V C 2.277 178.230 176.094 -0.235 0.000 1.069 168 V CA 2.345 64.535 62.300 -0.184 0.000 1.082 168 V CB -0.921 30.851 31.823 -0.084 0.000 0.680 168 V HN 0.288 nan 8.190 nan 0.000 0.469 169 G N 0.230 108.672 108.800 -0.596 0.000 2.408 169 G HA2 -0.122 3.837 3.960 -0.001 0.000 0.217 169 G HA3 -0.122 3.837 3.960 -0.001 0.000 0.217 169 G C 1.548 176.426 174.900 -0.036 0.000 1.150 169 G CA 1.068 45.976 45.100 -0.320 0.000 0.776 169 G HN 0.533 nan 8.290 nan 0.000 0.542 170 L N -0.122 121.026 121.223 -0.124 0.000 2.093 170 L HA 0.064 4.403 4.340 -0.001 0.000 0.208 170 L C 2.834 179.738 176.870 0.056 0.000 1.085 170 L CA 0.432 55.178 54.840 -0.157 0.000 0.755 170 L CB -0.273 41.331 42.059 -0.759 0.000 0.904 170 L HN 0.189 nan 8.230 nan 0.000 0.435 171 L N -0.640 120.613 121.223 0.049 0.000 2.131 171 L HA -0.216 4.124 4.340 -0.001 0.000 0.210 171 L C 2.174 179.146 176.870 0.170 0.000 1.092 171 L CA 0.867 55.811 54.840 0.172 0.000 0.759 171 L CB -0.681 41.456 42.059 0.130 0.000 0.903 171 L HN 0.276 nan 8.230 nan 0.000 0.435 172 D N 0.114 120.612 120.400 0.162 0.000 2.092 172 D HA -0.215 4.425 4.640 -0.001 0.000 0.193 172 D C 2.285 178.708 176.300 0.205 0.000 0.994 172 D CA 1.264 55.431 54.000 0.278 0.000 0.828 172 D CB -0.265 40.726 40.800 0.318 0.000 0.963 172 D HN 0.393 nan 8.370 nan 0.000 0.450 173 Q N 0.113 119.987 119.800 0.123 0.000 2.096 173 Q HA -0.162 4.178 4.340 -0.001 0.000 0.204 173 Q C 2.293 178.236 176.000 -0.095 0.000 0.982 173 Q CA 1.196 56.985 55.803 -0.023 0.000 0.850 173 Q CB -0.117 28.618 28.738 -0.006 0.000 0.901 173 Q HN 0.219 nan 8.270 nan 0.000 0.422 174 R N 0.610 121.142 120.500 0.054 0.000 2.091 174 R HA -0.162 4.177 4.340 -0.001 0.000 0.238 174 R C 2.208 178.516 176.300 0.014 0.000 1.136 174 R CA 1.568 57.682 56.100 0.024 0.000 0.959 174 R CB -0.184 30.235 30.300 0.198 0.000 0.856 174 R HN 0.295 nan 8.270 nan 0.000 0.437 175 M N -0.006 119.638 119.600 0.073 0.000 2.117 175 M HA -0.130 4.349 4.480 -0.001 0.000 0.262 175 M C 2.167 178.477 176.300 0.017 0.000 1.065 175 M CA 2.020 57.399 55.300 0.133 0.000 1.114 175 M CB -0.075 32.703 32.600 0.297 0.000 1.361 175 M HN 0.336 nan 8.290 nan 0.000 0.408 176 A N 0.322 122.890 122.820 -0.420 0.000 1.902 176 A HA -0.135 4.185 4.320 -0.001 0.000 0.217 176 A C 1.969 179.444 177.584 -0.181 0.000 1.181 176 A CA 1.418 52.978 52.037 -0.794 0.000 0.623 176 A CB -1.002 17.164 19.000 -1.390 0.000 0.818 176 A HN 0.584 nan 8.150 nan 0.000 0.443 177 L N -1.077 120.067 121.223 -0.132 0.000 2.141 177 L HA -0.198 4.142 4.340 -0.001 0.000 0.209 177 L C 2.783 179.713 176.870 0.100 0.000 1.094 177 L CA 1.540 56.371 54.840 -0.015 0.000 0.763 177 L CB -0.449 41.563 42.059 -0.078 0.000 0.908 177 L HN 0.467 nan 8.230 nan 0.000 0.437 178 Q N -0.330 119.530 119.800 0.100 0.000 2.119 178 Q HA -0.238 4.102 4.340 -0.001 0.000 0.201 178 Q C 1.998 178.131 176.000 0.223 0.000 0.972 178 Q CA 1.735 57.621 55.803 0.139 0.000 0.847 178 Q CB -0.373 28.435 28.738 0.117 0.000 0.903 178 Q HN 0.502 nan 8.270 nan 0.000 0.433 179 W N -0.959 120.379 121.300 0.063 0.000 2.418 179 W HA -0.063 4.596 4.660 -0.001 0.000 0.292 179 W C 1.709 178.289 176.519 0.102 0.000 1.213 179 W CA 1.256 58.660 57.345 0.099 0.000 1.283 179 W CB 0.074 29.600 29.460 0.110 0.000 1.119 179 W HN -0.022 nan 8.180 nan 0.000 0.542 180 V N -0.033 120.117 119.914 0.392 0.000 2.307 180 V HA -0.351 3.768 4.120 -0.001 0.000 0.245 180 V C 2.166 178.314 176.094 0.091 0.000 1.045 180 V CA 2.428 64.882 62.300 0.256 0.000 1.024 180 V CB -1.343 30.606 31.823 0.209 0.000 0.651 180 V HN 0.311 nan 8.190 nan 0.000 0.449 181 H N 0.658 119.747 119.070 0.033 0.000 2.319 181 H HA -0.189 4.367 4.556 -0.001 0.000 0.299 181 H C 1.964 177.244 175.328 -0.081 0.000 1.092 181 H CA 2.252 58.293 56.048 -0.012 0.000 1.302 181 H CB -0.084 29.681 29.762 0.006 0.000 1.373 181 H HN 0.405 nan 8.280 nan 0.000 0.497 182 D N -0.762 119.597 120.400 -0.069 0.000 2.234 182 D HA -0.056 4.584 4.640 -0.001 0.000 0.205 182 D C 0.981 177.119 176.300 -0.271 0.000 0.962 182 D CA 0.751 54.649 54.000 -0.170 0.000 0.855 182 D CB 0.073 40.809 40.800 -0.106 0.000 0.951 182 D HN 0.527 nan 8.370 nan 0.000 0.500 183 N N -0.170 118.297 118.700 -0.389 0.000 2.166 183 N HA 0.030 4.769 4.740 -0.001 0.000 0.213 183 N C 1.438 176.889 175.510 -0.099 0.000 1.222 183 N CA -0.169 52.704 53.050 -0.295 0.000 0.900 183 N CB 1.063 39.025 38.487 -0.875 0.000 1.055 183 N HN 0.016 nan 8.380 nan 0.000 0.515 184 I N 3.066 123.588 120.570 -0.081 0.000 2.567 184 I HA -0.248 3.922 4.170 -0.001 0.000 0.257 184 I C 2.568 178.684 176.117 -0.002 0.000 1.184 184 I CA 1.284 62.646 61.300 0.103 0.000 1.451 184 I CB -0.161 37.875 38.000 0.061 0.000 1.089 184 I HN 0.202 nan 8.210 nan 0.000 0.441 185 Q N -0.654 118.941 119.800 -0.341 0.000 2.124 185 Q HA -0.239 4.101 4.340 -0.001 0.000 0.202 185 Q C 1.923 177.645 176.000 -0.462 0.000 0.977 185 Q CA 1.722 57.249 55.803 -0.460 0.000 0.850 185 Q CB -0.921 27.401 28.738 -0.694 0.000 0.901 185 Q HN 0.413 nan 8.270 nan 0.000 0.429 186 F N 0.004 119.885 119.950 -0.115 0.000 2.451 186 F HA 0.049 4.575 4.527 -0.001 0.000 0.299 186 F C 0.964 176.537 175.800 -0.378 0.000 1.101 186 F CA 0.439 58.269 58.000 -0.284 0.000 1.436 186 F CB -0.183 38.554 39.000 -0.439 0.000 1.074 186 F HN 0.007 nan 8.300 nan 0.000 0.553 187 F N -0.634 119.307 119.950 -0.015 0.000 2.664 187 F HA 0.426 4.953 4.527 -0.001 0.000 0.303 187 F C 1.754 177.560 175.800 0.008 0.000 1.092 187 F CA 0.262 58.245 58.000 -0.030 0.000 1.305 187 F CB -0.013 38.950 39.000 -0.062 0.000 1.054 187 F HN 0.030 nan 8.300 nan 0.000 0.565 188 G N 0.290 109.155 108.800 0.109 0.000 2.157 188 G HA2 -0.191 3.768 3.960 -0.001 0.000 0.248 188 G HA3 -0.191 3.768 3.960 -0.001 0.000 0.248 188 G C 0.602 175.539 174.900 0.062 0.000 0.979 188 G CA -0.240 44.903 45.100 0.072 0.000 0.650 188 G HN 0.723 nan 8.290 nan 0.000 0.529 189 G N -0.376 108.466 108.800 0.071 0.000 2.395 189 G HA2 0.481 4.441 3.960 -0.001 0.000 0.283 189 G HA3 0.481 4.441 3.960 -0.001 0.000 0.283 189 G C -0.652 174.236 174.900 -0.021 0.000 1.178 189 G CA 0.247 45.376 45.100 0.047 0.000 0.837 189 G HN 0.223 nan 8.290 nan 0.000 0.518 190 D N 2.073 122.462 120.400 -0.018 0.000 2.339 190 D HA 0.227 4.867 4.640 -0.001 0.000 0.241 190 D C -1.016 175.253 176.300 -0.052 0.000 1.183 190 D CA -2.348 51.623 54.000 -0.048 0.000 0.859 190 D CB 1.858 42.639 40.800 -0.031 0.000 1.067 190 D HN 0.103 nan 8.370 nan 0.000 0.484 191 P HA -0.094 nan 4.420 nan 0.000 0.237 191 P C 0.446 177.724 177.300 -0.037 0.000 1.178 191 P CA 0.622 63.660 63.100 -0.104 0.000 0.766 191 P CB 0.025 31.556 31.700 -0.280 0.000 0.876 192 K N -0.863 119.514 120.400 -0.039 0.000 2.410 192 K HA 0.188 4.508 4.320 -0.001 0.000 0.200 192 K C -0.137 176.460 176.600 -0.006 0.000 1.023 192 K CA 0.114 56.394 56.287 -0.011 0.000 1.149 192 K CB -0.312 32.172 32.500 -0.027 0.000 0.859 192 K HN -0.157 nan 8.250 nan 0.000 0.514 193 T N 1.374 115.929 114.554 0.001 0.000 3.741 193 T HA 0.109 4.459 4.350 -0.001 0.000 0.242 193 T C -0.852 173.866 174.700 0.029 0.000 1.042 193 T CA -0.578 61.520 62.100 -0.003 0.000 1.278 193 T CB 0.794 69.645 68.868 -0.027 0.000 0.994 193 T HN 0.194 nan 8.240 nan 0.000 0.594 194 V N 0.751 120.714 119.914 0.080 0.000 2.394 194 V HA 0.708 4.828 4.120 -0.001 0.000 0.282 194 V C -0.404 175.793 176.094 0.171 0.000 1.031 194 V CA -0.007 62.367 62.300 0.123 0.000 0.881 194 V CB 1.482 33.397 31.823 0.152 0.000 0.982 194 V HN 0.380 nan 8.190 nan 0.000 0.451 195 T N 8.730 123.364 114.554 0.134 0.000 2.749 195 T HA 0.539 4.888 4.350 -0.001 0.000 0.287 195 T C 0.037 174.848 174.700 0.186 0.000 0.970 195 T CA -0.120 62.073 62.100 0.155 0.000 0.980 195 T CB 0.554 69.464 68.868 0.070 0.000 0.924 195 T HN 0.840 nan 8.240 nan 0.000 0.456 196 I N 1.805 122.452 120.570 0.128 0.000 2.440 196 I HA 0.840 5.009 4.170 -0.001 0.000 0.294 196 I C -0.647 175.638 176.117 0.281 0.000 0.995 196 I CA -0.913 60.444 61.300 0.095 0.000 1.306 196 I CB 0.759 38.584 38.000 -0.291 0.000 1.407 196 I HN 0.484 nan 8.210 nan 0.000 0.501 197 F N 2.672 122.647 119.950 0.042 0.000 2.619 197 F HA 0.990 5.517 4.527 -0.001 0.000 0.308 197 F C -0.490 175.280 175.800 -0.050 0.000 1.097 197 F CA -1.227 56.836 58.000 0.104 0.000 0.953 197 F CB 1.317 40.498 39.000 0.302 0.000 1.287 197 F HN 0.857 nan 8.300 nan 0.000 0.446 198 G N 1.018 109.673 108.800 -0.243 0.000 2.576 198 G HA2 0.494 4.454 3.960 -0.001 0.000 0.290 198 G HA3 0.494 4.454 3.960 -0.001 0.000 0.290 198 G C -2.575 172.103 174.900 -0.371 0.000 1.442 198 G CA -0.788 43.769 45.100 -0.906 0.000 0.792 198 G HN 0.893 nan 8.290 nan 0.000 0.491 199 E N 0.195 120.162 120.200 -0.388 0.000 2.288 199 E HA 0.650 5.000 4.350 -0.001 0.000 0.268 199 E C 0.663 177.251 176.600 -0.019 0.000 0.885 199 E CA 0.303 56.724 56.400 0.037 0.000 0.767 199 E CB 2.206 32.118 29.700 0.353 0.000 1.220 199 E HN 0.917 nan 8.360 nan 0.000 0.427 200 S N 2.424 118.173 115.700 0.082 0.000 4.114 200 S HA -0.391 4.079 4.470 -0.001 0.000 0.618 200 S C 1.458 176.083 174.600 0.043 0.000 1.937 200 S CA 2.147 60.383 58.200 0.060 0.000 4.228 200 S CB -1.641 61.470 63.200 -0.148 0.000 0.216 200 S HN 0.998 nan 8.310 nan 0.000 0.528 201 A N 0.964 123.651 122.820 -0.222 0.000 2.076 201 A HA 0.158 4.477 4.320 -0.001 0.000 0.220 201 A C 2.385 179.739 177.584 -0.383 0.000 1.160 201 A CA 2.358 54.137 52.037 -0.430 0.000 0.653 201 A CB -1.454 16.834 19.000 -1.187 0.000 0.801 201 A HN 1.543 nan 8.150 nan 0.000 0.455 202 G N -0.801 107.818 108.800 -0.301 0.000 2.421 202 G HA2 0.126 4.085 3.960 -0.001 0.000 0.217 202 G HA3 0.126 4.085 3.960 -0.001 0.000 0.217 202 G C 1.419 176.155 174.900 -0.272 0.000 1.143 202 G CA 1.083 45.965 45.100 -0.364 0.000 0.784 202 G HN 0.634 nan 8.290 nan 0.000 0.541 203 G N 1.012 109.722 108.800 -0.150 0.000 2.394 203 G HA2 0.131 4.091 3.960 -0.001 0.000 0.215 203 G HA3 0.131 4.091 3.960 -0.001 0.000 0.215 203 G C 2.016 176.852 174.900 -0.108 0.000 1.165 203 G CA 1.357 46.405 45.100 -0.086 0.000 0.784 203 G HN 0.550 nan 8.290 nan 0.000 0.535 204 A N 1.001 123.792 122.820 -0.049 0.000 1.902 204 A HA 0.011 4.330 4.320 -0.001 0.000 0.217 204 A C 2.693 180.241 177.584 -0.060 0.000 1.181 204 A CA 2.244 54.225 52.037 -0.092 0.000 0.623 204 A CB -0.654 18.326 19.000 -0.035 0.000 0.818 204 A HN 0.297 nan 8.150 nan 0.000 0.443 205 S N -0.327 115.364 115.700 -0.015 0.000 2.370 205 S HA -0.155 4.314 4.470 -0.001 0.000 0.226 205 S C 1.888 176.435 174.600 -0.088 0.000 1.033 205 S CA 1.456 59.624 58.200 -0.053 0.000 1.011 205 S CB -0.582 62.538 63.200 -0.132 0.000 0.852 205 S HN 0.344 nan 8.310 nan 0.000 0.457 206 V N 1.697 121.554 119.914 -0.095 0.000 2.287 206 V HA -0.197 3.923 4.120 -0.001 0.000 0.248 206 V C 2.615 178.662 176.094 -0.078 0.000 1.053 206 V CA 2.047 64.293 62.300 -0.091 0.000 1.027 206 V CB -1.467 30.283 31.823 -0.121 0.000 0.646 206 V HN 0.612 nan 8.190 nan 0.000 0.447 207 G N -1.078 107.628 108.800 -0.157 0.000 2.422 207 G HA2 -0.233 3.726 3.960 -0.001 0.000 0.218 207 G HA3 -0.233 3.726 3.960 -0.001 0.000 0.218 207 G C 1.572 176.459 174.900 -0.022 0.000 1.140 207 G CA 0.879 45.850 45.100 -0.215 0.000 0.775 207 G HN 0.464 nan 8.290 nan 0.000 0.545 208 M N -0.215 119.392 119.600 0.012 0.000 2.254 208 M HA 0.034 4.514 4.480 -0.001 0.000 0.265 208 M C 2.197 178.606 176.300 0.181 0.000 1.066 208 M CA 0.803 56.233 55.300 0.217 0.000 1.123 208 M CB -0.254 32.482 32.600 0.226 0.000 1.388 208 M HN 0.170 nan 8.290 nan 0.000 0.425 209 H N -0.115 119.076 119.070 0.202 0.000 2.462 209 H HA 0.067 4.623 4.556 -0.001 0.000 0.292 209 H C 2.084 177.638 175.328 0.378 0.000 1.049 209 H CA 1.157 57.330 56.048 0.208 0.000 1.334 209 H CB -0.089 29.679 29.762 0.010 0.000 1.404 209 H HN 0.409 nan 8.280 nan 0.000 0.544 210 I N 0.340 121.196 120.570 0.476 0.000 2.315 210 I HA -0.224 3.946 4.170 -0.001 0.000 0.248 210 I C 2.173 178.542 176.117 0.420 0.000 1.117 210 I CA 0.770 62.394 61.300 0.541 0.000 1.404 210 I CB 0.016 38.272 38.000 0.425 0.000 1.071 210 I HN 0.118 nan 8.210 nan 0.000 0.419 211 L N -0.710 120.725 121.223 0.353 0.000 2.068 211 L HA -0.043 4.296 4.340 -0.001 0.000 0.204 211 L C 1.526 178.522 176.870 0.211 0.000 1.076 211 L CA 0.301 55.347 54.840 0.344 0.000 0.753 211 L CB -0.317 41.975 42.059 0.388 0.000 0.910 211 L HN 0.041 nan 8.230 nan 0.000 0.439 212 S N 0.373 116.118 115.700 0.075 0.000 2.506 212 S HA 0.045 4.514 4.470 -0.001 0.000 0.291 212 S C -1.457 173.041 174.600 -0.170 0.000 1.230 212 S CA -1.249 56.798 58.200 -0.255 0.000 1.107 212 S CB 0.691 63.347 63.200 -0.907 0.000 0.942 212 S HN -0.052 nan 8.310 nan 0.000 0.502 213 P HA -0.083 nan 4.420 nan 0.000 0.216 213 P C 1.509 178.728 177.300 -0.135 0.000 1.153 213 P CA 1.231 64.269 63.100 -0.102 0.000 0.858 213 P CB -0.129 31.517 31.700 -0.091 0.000 0.789 214 G N -1.448 107.218 108.800 -0.223 0.000 2.535 214 G HA2 -0.170 3.789 3.960 -0.001 0.000 0.218 214 G HA3 -0.170 3.789 3.960 -0.001 0.000 0.218 214 G C 1.387 176.209 174.900 -0.131 0.000 1.122 214 G CA 0.782 45.766 45.100 -0.193 0.000 0.769 214 G HN 0.254 nan 8.290 nan 0.000 0.549 215 S N -0.455 115.191 115.700 -0.090 0.000 2.524 215 S HA 0.094 4.563 4.470 -0.001 0.000 0.222 215 S C 2.242 176.939 174.600 0.162 0.000 1.040 215 S CA -0.465 57.794 58.200 0.097 0.000 0.915 215 S CB 0.212 63.615 63.200 0.339 0.000 0.831 215 S HN 0.385 nan 8.310 nan 0.000 0.492 216 R N 2.072 122.600 120.500 0.046 0.000 2.139 216 R HA -0.115 4.225 4.340 -0.001 0.000 0.243 216 R C 0.427 176.528 176.300 -0.332 0.000 1.145 216 R CA 1.454 57.472 56.100 -0.138 0.000 0.976 216 R CB -0.783 29.460 30.300 -0.096 0.000 0.866 216 R HN 0.337 nan 8.270 nan 0.000 0.449 217 D N 0.828 121.112 120.400 -0.193 0.000 2.355 217 D HA 0.026 4.665 4.640 -0.001 0.000 0.218 217 D C 1.643 177.818 176.300 -0.208 0.000 1.004 217 D CA 0.502 54.374 54.000 -0.214 0.000 0.880 217 D CB 0.024 40.721 40.800 -0.171 0.000 0.911 217 D HN 0.235 nan 8.370 nan 0.000 0.528 218 L N -0.136 121.022 121.223 -0.109 0.000 2.599 218 L HA 0.147 4.486 4.340 -0.001 0.000 0.230 218 L C 0.035 177.044 176.870 0.233 0.000 1.141 218 L CA 0.017 54.866 54.840 0.015 0.000 0.877 218 L CB -0.438 41.665 42.059 0.073 0.000 1.009 218 L HN -0.053 nan 8.230 nan 0.000 0.447 219 F N -4.107 115.853 119.950 0.017 0.000 2.741 219 F HA 0.578 5.104 4.527 -0.000 0.000 0.313 219 F C 0.413 176.239 175.800 0.043 0.000 1.153 219 F CA -1.366 56.660 58.000 0.042 0.000 0.931 219 F CB 1.155 40.178 39.000 0.038 0.000 1.335 219 F HN -0.407 nan 8.300 nan 0.000 0.460 220 R N 0.466 121.050 120.500 0.139 0.000 2.121 220 R HA 0.495 4.835 4.340 -0.001 0.000 0.206 220 R C -0.175 176.185 176.300 0.100 0.000 1.094 220 R CA 0.831 56.942 56.100 0.019 0.000 1.055 220 R CB 0.378 30.692 30.300 0.023 0.000 0.964 220 R HN 0.758 nan 8.270 nan 0.000 0.473 221 R N -1.186 119.483 120.500 0.281 0.000 2.799 221 R HA 0.735 5.075 4.340 -0.001 0.000 0.270 221 R C -1.582 174.964 176.300 0.410 0.000 1.010 221 R CA -0.673 55.591 56.100 0.274 0.000 0.916 221 R CB 2.261 32.541 30.300 -0.034 0.000 1.228 221 R HN 0.185 nan 8.270 nan 0.000 0.469 222 A N 1.668 124.724 122.820 0.393 0.000 2.475 222 A HA 0.744 5.063 4.320 -0.001 0.000 0.301 222 A C -1.106 176.581 177.584 0.172 0.000 1.059 222 A CA -0.643 51.546 52.037 0.253 0.000 0.710 222 A CB 1.312 20.418 19.000 0.177 0.000 1.288 222 A HN 0.579 nan 8.150 nan 0.000 0.408 223 I N 1.673 122.302 120.570 0.097 0.000 2.466 223 I HA 0.400 4.569 4.170 -0.001 0.000 0.289 223 I C -1.486 174.670 176.117 0.065 0.000 1.026 223 I CA -0.566 60.709 61.300 -0.042 0.000 1.078 223 I CB 1.919 39.856 38.000 -0.104 0.000 1.249 223 I HN 0.443 nan 8.210 nan 0.000 0.429 224 L N 6.600 127.833 121.223 0.017 0.000 2.349 224 L HA 0.465 4.805 4.340 -0.001 0.000 0.278 224 L C -0.602 176.342 176.870 0.122 0.000 0.996 224 L CA -0.240 54.619 54.840 0.031 0.000 0.825 224 L CB 1.757 43.772 42.059 -0.074 0.000 1.243 224 L HN 0.486 nan 8.230 nan 0.000 0.412 225 Q N 1.828 121.752 119.800 0.208 0.000 2.341 225 Q HA 0.475 4.815 4.340 -0.001 0.000 0.268 225 Q C -0.106 176.019 176.000 0.208 0.000 1.013 225 Q CA -0.591 55.404 55.803 0.321 0.000 0.798 225 Q CB 1.687 30.726 28.738 0.502 0.000 1.253 225 Q HN 0.647 nan 8.270 nan 0.000 0.457 226 S N 0.969 116.754 115.700 0.141 0.000 3.614 226 S HA -0.174 4.295 4.470 -0.001 0.000 0.360 226 S C 0.009 174.735 174.600 0.209 0.000 1.023 226 S CA 0.625 58.905 58.200 0.132 0.000 1.114 226 S CB -1.109 62.166 63.200 0.124 0.000 0.907 226 S HN 0.941 nan 8.310 nan 0.000 0.470 227 G N -0.604 108.278 108.800 0.136 0.000 2.733 227 G HA2 0.588 4.547 3.960 -0.001 0.000 0.297 227 G HA3 0.588 4.547 3.960 -0.001 0.000 0.297 227 G C -1.249 173.621 174.900 -0.050 0.000 1.452 227 G CA 0.221 45.423 45.100 0.168 0.000 0.940 227 G HN 0.517 nan 8.290 nan 0.000 0.547 228 S N 1.421 117.026 115.700 -0.158 0.000 2.546 228 S HA 0.776 5.246 4.470 -0.001 0.000 0.274 228 S C -1.824 172.500 174.600 -0.460 0.000 1.121 228 S CA -1.267 56.697 58.200 -0.394 0.000 0.887 228 S CB 2.496 65.524 63.200 -0.287 0.000 1.094 228 S HN 0.345 nan 8.310 nan 0.000 0.474 229 P HA -0.057 nan 4.420 nan 0.000 0.220 229 P C 0.467 177.523 177.300 -0.406 0.000 1.148 229 P CA 0.970 63.828 63.100 -0.402 0.000 0.803 229 P CB -0.213 31.291 31.700 -0.326 0.000 0.782 230 N N -0.850 117.637 118.700 -0.354 0.000 2.314 230 N HA -0.004 4.735 4.740 -0.001 0.000 0.200 230 N C -0.041 175.229 175.510 -0.401 0.000 1.135 230 N CA -0.256 52.619 53.050 -0.292 0.000 0.835 230 N CB -1.340 37.090 38.487 -0.095 0.000 0.989 230 N HN 0.013 nan 8.380 nan 0.000 0.478 231 C N 3.180 122.120 119.300 -0.601 0.000 2.642 231 C HA 0.099 4.558 4.460 -0.001 0.000 0.420 231 C C -0.217 174.263 174.990 -0.850 0.000 1.349 231 C CA -0.904 57.620 59.018 -0.822 0.000 1.821 231 C CB 1.020 27.945 27.740 -1.357 0.000 2.637 231 C HN 0.358 nan 8.230 nan 0.000 0.605 232 P HA -0.131 nan 4.420 nan 0.000 0.222 232 P C 1.088 178.174 177.300 -0.357 0.000 1.142 232 P CA 1.812 64.634 63.100 -0.463 0.000 0.788 232 P CB -0.085 31.371 31.700 -0.407 0.000 0.767 233 W N -1.887 119.295 121.300 -0.197 0.000 3.177 233 W HA 0.582 5.242 4.660 -0.000 0.000 0.309 233 W C 1.182 177.744 176.519 0.071 0.000 1.224 233 W CA 0.310 57.595 57.345 -0.099 0.000 1.718 233 W CB -0.997 28.409 29.460 -0.090 0.000 1.078 233 W HN -0.108 nan 8.180 nan 0.000 0.618 234 A N 1.487 124.031 122.820 -0.461 0.000 2.169 234 A HA 0.176 4.495 4.320 -0.001 0.000 0.212 234 A C 1.006 178.427 177.584 -0.272 0.000 1.153 234 A CA 1.197 53.064 52.037 -0.282 0.000 0.756 234 A CB -0.541 18.027 19.000 -0.720 0.000 0.813 234 A HN 0.230 nan 8.150 nan 0.000 0.471 235 S N -1.938 113.598 115.700 -0.273 0.000 2.588 235 S HA 0.630 5.100 4.470 -0.001 0.000 0.269 235 S C -0.876 173.603 174.600 -0.202 0.000 1.157 235 S CA -0.101 57.932 58.200 -0.279 0.000 0.824 235 S CB 1.287 64.264 63.200 -0.371 0.000 1.126 235 S HN 1.339 nan 8.310 nan 0.000 0.464 236 V N -1.040 118.774 119.914 -0.167 0.000 3.114 236 V HA 0.931 5.051 4.120 -0.001 0.000 0.308 236 V C 0.152 176.178 176.094 -0.114 0.000 1.168 236 V CA -0.460 61.763 62.300 -0.128 0.000 1.015 236 V CB 1.160 32.919 31.823 -0.106 0.000 1.050 236 V HN 1.513 nan 8.190 nan 0.000 0.433 237 S N 1.036 116.677 115.700 -0.099 0.000 2.608 237 S HA 0.330 4.800 4.470 -0.001 0.000 0.261 237 S C 1.358 175.912 174.600 -0.077 0.000 1.314 237 S CA 0.005 58.152 58.200 -0.089 0.000 0.992 237 S CB 1.224 64.380 63.200 -0.073 0.000 0.935 237 S HN 2.058 nan 8.310 nan 0.000 0.564 238 V N -1.108 118.750 119.914 -0.093 0.000 2.407 238 V HA -0.040 4.080 4.120 -0.001 0.000 0.248 238 V C 2.631 178.711 176.094 -0.024 0.000 1.055 238 V CA 1.686 63.939 62.300 -0.078 0.000 1.049 238 V CB -2.134 29.586 31.823 -0.171 0.000 0.662 238 V HN 1.001 nan 8.190 nan 0.000 0.455 239 A N 0.760 123.562 122.820 -0.029 0.000 1.877 239 A HA -0.224 4.096 4.320 -0.001 0.000 0.216 239 A C 2.227 179.794 177.584 -0.030 0.000 1.186 239 A CA 2.060 54.087 52.037 -0.016 0.000 0.620 239 A CB -0.673 18.317 19.000 -0.017 0.000 0.822 239 A HN 0.635 nan 8.150 nan 0.000 0.443 240 E N 0.160 120.332 120.200 -0.047 0.000 2.150 240 E HA -0.033 4.317 4.350 -0.001 0.000 0.193 240 E C 1.914 178.473 176.600 -0.068 0.000 0.985 240 E CA 1.522 57.880 56.400 -0.069 0.000 0.814 240 E CB -0.776 28.875 29.700 -0.083 0.000 0.752 240 E HN 0.397 nan 8.360 nan 0.000 0.466 241 G N 0.565 109.339 108.800 -0.042 0.000 2.402 241 G HA2 -0.322 3.637 3.960 -0.001 0.000 0.216 241 G HA3 -0.322 3.637 3.960 -0.001 0.000 0.216 241 G C 1.752 176.660 174.900 0.014 0.000 1.162 241 G CA 0.770 45.865 45.100 -0.008 0.000 0.777 241 G HN 0.327 nan 8.290 nan 0.000 0.539 242 R N 0.238 120.743 120.500 0.009 0.000 2.073 242 R HA -0.007 4.333 4.340 -0.001 0.000 0.234 242 R C 2.556 178.852 176.300 -0.007 0.000 1.134 242 R CA 1.371 57.476 56.100 0.010 0.000 0.952 242 R CB -0.375 29.935 30.300 0.017 0.000 0.850 242 R HN 0.256 nan 8.270 nan 0.000 0.433 243 R N 0.635 121.121 120.500 -0.024 0.000 2.091 243 R HA -0.154 4.186 4.340 -0.001 0.000 0.238 243 R C 2.118 178.393 176.300 -0.043 0.000 1.136 243 R CA 1.974 58.051 56.100 -0.039 0.000 0.959 243 R CB -0.120 30.144 30.300 -0.060 0.000 0.856 243 R HN 0.304 nan 8.270 nan 0.000 0.437 244 R N -0.394 120.073 120.500 -0.055 0.000 2.115 244 R HA 0.007 4.346 4.340 -0.001 0.000 0.226 244 R C 2.341 178.682 176.300 0.068 0.000 1.100 244 R CA 1.057 57.120 56.100 -0.062 0.000 0.980 244 R CB -0.246 29.924 30.300 -0.217 0.000 0.875 244 R HN 0.229 nan 8.270 nan 0.000 0.445 245 A N 0.850 123.728 122.820 0.097 0.000 1.877 245 A HA -0.120 4.199 4.320 -0.001 0.000 0.216 245 A C 2.334 179.921 177.584 0.006 0.000 1.186 245 A CA 1.416 53.495 52.037 0.072 0.000 0.620 245 A CB -0.590 18.401 19.000 -0.014 0.000 0.822 245 A HN 0.098 nan 8.150 nan 0.000 0.443 246 V N 0.020 119.931 119.914 -0.005 0.000 2.287 246 V HA -0.258 3.862 4.120 -0.001 0.000 0.248 246 V C 2.619 178.711 176.094 -0.003 0.000 1.053 246 V CA 2.467 64.760 62.300 -0.012 0.000 1.027 246 V CB -0.792 31.023 31.823 -0.013 0.000 0.646 246 V HN 0.678 nan 8.190 nan 0.000 0.447 247 E N 0.189 120.388 120.200 -0.001 0.000 2.118 247 E HA -0.232 4.118 4.350 -0.001 0.000 0.195 247 E C 1.914 178.528 176.600 0.023 0.000 0.992 247 E CA 1.312 57.712 56.400 0.000 0.000 0.804 247 E CB -0.482 29.205 29.700 -0.021 0.000 0.741 247 E HN 0.431 nan 8.360 nan 0.000 0.458 248 L N -0.150 121.106 121.223 0.055 0.000 2.017 248 L HA -0.011 4.329 4.340 -0.001 0.000 0.208 248 L C 2.185 179.068 176.870 0.022 0.000 1.073 248 L CA 2.463 57.347 54.840 0.073 0.000 0.745 248 L CB -1.141 40.990 42.059 0.121 0.000 0.894 248 L HN 0.231 nan 8.230 nan 0.000 0.432 249 G N -0.847 107.952 108.800 -0.002 0.000 2.446 249 G HA2 -0.353 3.607 3.960 -0.001 0.000 0.217 249 G HA3 -0.353 3.607 3.960 -0.001 0.000 0.217 249 G C 1.820 176.724 174.900 0.006 0.000 1.168 249 G CA 0.855 45.950 45.100 -0.009 0.000 0.771 249 G HN 0.435 nan 8.290 nan 0.000 0.551 250 R N 0.362 120.867 120.500 0.008 0.000 2.120 250 R HA -0.041 4.299 4.340 -0.001 0.000 0.234 250 R C 2.212 178.524 176.300 0.019 0.000 1.123 250 R CA 1.248 57.355 56.100 0.012 0.000 0.975 250 R CB -0.317 29.988 30.300 0.008 0.000 0.866 250 R HN 0.320 nan 8.270 nan 0.000 0.446 251 N N 0.299 119.014 118.700 0.025 0.000 2.381 251 N HA -0.102 4.638 4.740 -0.001 0.000 0.182 251 N C 0.786 176.317 175.510 0.035 0.000 1.025 251 N CA 0.859 53.930 53.050 0.034 0.000 0.888 251 N CB 0.175 38.689 38.487 0.045 0.000 0.965 251 N HN 0.263 nan 8.380 nan 0.000 0.438 252 L N 0.942 122.182 121.223 0.029 0.000 2.872 252 L HA 0.222 4.562 4.340 -0.001 0.000 0.245 252 L C -0.150 176.737 176.870 0.027 0.000 1.211 252 L CA -0.150 54.708 54.840 0.030 0.000 1.013 252 L CB -0.069 42.006 42.059 0.027 0.000 1.326 252 L HN 0.004 nan 8.230 nan 0.000 0.525 253 N N -1.387 117.328 118.700 0.025 0.000 2.714 253 N HA -0.183 4.557 4.740 -0.001 0.000 0.250 253 N C 0.096 175.621 175.510 0.025 0.000 1.117 253 N CA 0.575 53.640 53.050 0.024 0.000 0.719 253 N CB -2.036 36.467 38.487 0.026 0.000 1.081 253 N HN 0.333 nan 8.380 nan 0.000 0.557 254 c N 1.275 119.888 118.600 0.023 0.000 2.657 254 c HA 0.146 4.716 4.570 -0.001 0.000 0.404 254 c C 1.494 175.599 174.090 0.025 0.000 1.291 254 c CA -0.860 55.484 56.329 0.026 0.000 2.218 254 c CB 0.531 43.051 42.510 0.018 0.000 2.687 254 c HN 0.352 nan 8.230 nan 0.000 0.634 255 N N 1.728 120.449 118.700 0.034 0.000 2.452 255 N HA 0.102 4.842 4.740 -0.001 0.000 0.266 255 N C 0.057 175.580 175.510 0.021 0.000 1.175 255 N CA 0.200 53.267 53.050 0.029 0.000 0.945 255 N CB 0.394 38.904 38.487 0.038 0.000 1.063 255 N HN 0.621 nan 8.380 nan 0.000 0.472 256 L N 3.191 124.422 121.223 0.013 0.000 2.700 256 L HA 0.154 4.494 4.340 -0.001 0.000 0.234 256 L C 1.279 178.151 176.870 0.004 0.000 1.156 256 L CA -0.080 54.764 54.840 0.006 0.000 0.946 256 L CB -0.217 41.844 42.059 0.003 0.000 1.216 256 L HN 0.612 nan 8.230 nan 0.000 0.493 257 N N -0.381 118.322 118.700 0.006 0.000 2.314 257 N HA 0.007 4.747 4.740 -0.001 0.000 0.200 257 N C 0.242 175.753 175.510 0.001 0.000 1.135 257 N CA 0.018 53.070 53.050 0.003 0.000 0.835 257 N CB 0.529 39.017 38.487 0.003 0.000 0.989 257 N HN 0.236 nan 8.380 nan 0.000 0.478 258 S N -0.802 114.899 115.700 0.002 0.000 2.537 258 S HA 0.192 4.662 4.470 -0.001 0.000 0.271 258 S C -0.416 174.185 174.600 0.000 0.000 1.148 258 S CA -0.710 57.490 58.200 0.000 0.000 0.868 258 S CB 1.974 65.174 63.200 0.001 0.000 1.115 258 S HN -0.215 nan 8.310 nan 0.000 0.461 259 D N 1.599 121.996 120.400 -0.005 0.000 2.133 259 D HA -0.080 4.560 4.640 -0.001 0.000 0.195 259 D C 1.536 177.838 176.300 0.003 0.000 0.997 259 D CA 1.972 55.965 54.000 -0.012 0.000 0.840 259 D CB -0.140 40.650 40.800 -0.018 0.000 0.947 259 D HN 0.758 nan 8.370 nan 0.000 0.452 260 E N 0.877 121.085 120.200 0.014 0.000 2.058 260 E HA -0.153 4.197 4.350 -0.001 0.000 0.194 260 E C 2.049 178.689 176.600 0.067 0.000 0.997 260 E CA 0.986 57.407 56.400 0.036 0.000 0.801 260 E CB -0.203 29.509 29.700 0.021 0.000 0.746 260 E HN 0.442 nan 8.360 nan 0.000 0.450 261 E N 0.318 120.545 120.200 0.047 0.000 2.072 261 E HA -0.164 4.186 4.350 -0.001 0.000 0.191 261 E C 2.187 178.841 176.600 0.088 0.000 0.985 261 E CA 0.753 57.195 56.400 0.070 0.000 0.801 261 E CB -0.283 29.439 29.700 0.037 0.000 0.750 261 E HN 0.154 nan 8.360 nan 0.000 0.452 262 L N 1.615 122.861 121.223 0.039 0.000 1.989 262 L HA -0.166 4.173 4.340 -0.001 0.000 0.211 262 L C 2.253 179.126 176.870 0.004 0.000 1.071 262 L CA 1.560 56.405 54.840 0.009 0.000 0.749 262 L CB -0.565 41.478 42.059 -0.027 0.000 0.890 262 L HN 0.042 nan 8.230 nan 0.000 0.431 263 I N -0.934 119.639 120.570 0.005 0.000 2.127 263 I HA -0.361 3.809 4.170 -0.001 0.000 0.241 263 I C 2.634 178.811 176.117 0.101 0.000 1.075 263 I CA 1.688 62.999 61.300 0.019 0.000 1.334 263 I CB -0.772 37.250 38.000 0.036 0.000 1.040 263 I HN 0.493 nan 8.210 nan 0.000 0.405 264 H N 0.604 119.705 119.070 0.052 0.000 2.321 264 H HA -0.321 4.235 4.556 -0.001 0.000 0.295 264 H C 2.503 177.869 175.328 0.063 0.000 1.102 264 H CA 2.529 58.612 56.048 0.058 0.000 1.266 264 H CB -0.239 29.544 29.762 0.035 0.000 1.363 264 H HN 0.547 nan 8.280 nan 0.000 0.492 265 c N 0.898 119.506 118.600 0.013 0.000 2.413 265 c HA -0.119 4.450 4.570 -0.001 0.000 0.276 265 c C 3.107 177.181 174.090 -0.026 0.000 1.236 265 c CA 1.017 57.338 56.329 -0.013 0.000 1.735 265 c CB -1.431 41.109 42.510 0.051 0.000 2.031 265 c HN 0.584 nan 8.230 nan 0.000 0.474 266 L N 0.204 121.446 121.223 0.031 0.000 2.191 266 L HA -0.095 4.244 4.340 -0.001 0.000 0.212 266 L C 2.930 179.900 176.870 0.166 0.000 1.103 266 L CA 1.466 56.373 54.840 0.112 0.000 0.769 266 L CB -0.630 41.489 42.059 0.100 0.000 0.908 266 L HN 0.372 nan 8.230 nan 0.000 0.438 267 R N -0.490 120.071 120.500 0.102 0.000 2.236 267 R HA -0.065 4.275 4.340 -0.001 0.000 0.208 267 R C 1.678 177.927 176.300 -0.085 0.000 1.036 267 R CA 0.442 56.538 56.100 -0.007 0.000 1.001 267 R CB 0.090 30.373 30.300 -0.028 0.000 0.896 267 R HN 0.271 nan 8.270 nan 0.000 0.464 268 E N 0.628 120.755 120.200 -0.122 0.000 2.385 268 E HA 0.025 4.374 4.350 -0.001 0.000 0.194 268 E C 0.030 176.611 176.600 -0.032 0.000 1.013 268 E CA 0.555 56.895 56.400 -0.100 0.000 0.866 268 E CB 0.234 29.859 29.700 -0.126 0.000 0.832 268 E HN 0.059 nan 8.360 nan 0.000 0.500 269 K N 1.868 122.264 120.400 -0.007 0.000 2.270 269 K HA 0.137 4.457 4.320 -0.001 0.000 0.276 269 K C 0.625 177.253 176.600 0.046 0.000 1.023 269 K CA -0.306 55.997 56.287 0.025 0.000 0.955 269 K CB 0.925 33.448 32.500 0.038 0.000 0.975 269 K HN -0.176 nan 8.250 nan 0.000 0.471 270 K N 2.529 122.961 120.400 0.054 0.000 2.319 270 K HA 0.043 4.363 4.320 -0.001 0.000 0.265 270 K C -1.638 175.041 176.600 0.132 0.000 1.000 270 K CA -1.631 54.697 56.287 0.068 0.000 0.943 270 K CB -0.064 32.468 32.500 0.053 0.000 0.950 270 K HN 0.211 nan 8.250 nan 0.000 0.485 271 P HA -0.216 nan 4.420 nan 0.000 0.214 271 P C 1.239 178.717 177.300 0.297 0.000 1.169 271 P CA 1.385 64.671 63.100 0.309 0.000 0.908 271 P CB 0.264 31.984 31.700 0.033 0.000 0.791 272 Q N 0.006 119.906 119.800 0.166 0.000 2.308 272 Q HA -0.209 4.130 4.340 -0.001 0.000 0.209 272 Q C 1.834 177.927 176.000 0.154 0.000 0.985 272 Q CA 1.657 57.554 55.803 0.156 0.000 0.881 272 Q CB -0.832 27.967 28.738 0.102 0.000 0.917 272 Q HN 0.389 nan 8.270 nan 0.000 0.443 273 E N -1.166 119.113 120.200 0.132 0.000 2.107 273 E HA -0.144 4.205 4.350 -0.001 0.000 0.191 273 E C 1.575 178.238 176.600 0.106 0.000 0.982 273 E CA 0.765 57.228 56.400 0.105 0.000 0.809 273 E CB 0.019 29.766 29.700 0.078 0.000 0.756 273 E HN 0.218 nan 8.360 nan 0.000 0.459 274 L N 0.666 121.953 121.223 0.107 0.000 2.027 274 L HA -0.142 4.198 4.340 -0.001 0.000 0.206 274 L C 2.210 179.142 176.870 0.104 0.000 1.074 274 L CA 1.467 56.327 54.840 0.034 0.000 0.745 274 L CB -0.491 41.485 42.059 -0.140 0.000 0.898 274 L HN 0.143 nan 8.230 nan 0.000 0.433 275 I N -0.463 120.236 120.570 0.216 0.000 2.264 275 I HA -0.302 3.867 4.170 -0.001 0.000 0.248 275 I C 1.898 178.185 176.117 0.283 0.000 1.111 275 I CA 1.080 62.551 61.300 0.285 0.000 1.382 275 I CB -0.408 37.802 38.000 0.350 0.000 1.060 275 I HN 0.263 nan 8.210 nan 0.000 0.418 276 D N 0.215 120.752 120.400 0.228 0.000 2.218 276 D HA -0.108 4.531 4.640 -0.001 0.000 0.204 276 D C 1.909 178.337 176.300 0.214 0.000 0.976 276 D CA 1.469 55.602 54.000 0.223 0.000 0.853 276 D CB 0.068 40.964 40.800 0.160 0.000 0.939 276 D HN 0.389 nan 8.370 nan 0.000 0.481 277 V N -1.885 118.130 119.914 0.169 0.000 3.427 277 V HA 0.193 4.313 4.120 -0.001 0.000 0.305 277 V C 1.722 177.894 176.094 0.131 0.000 1.412 277 V CA 0.156 62.544 62.300 0.146 0.000 1.086 277 V CB 0.163 32.047 31.823 0.102 0.000 0.964 277 V HN -0.004 nan 8.190 nan 0.000 0.439 278 E N 0.810 121.075 120.200 0.108 0.000 2.171 278 E HA -0.259 4.091 4.350 -0.001 0.000 0.197 278 E C 1.506 177.985 176.600 -0.202 0.000 0.997 278 E CA 2.263 58.671 56.400 0.013 0.000 0.810 278 E CB -0.283 29.389 29.700 -0.047 0.000 0.738 278 E HN 0.776 nan 8.360 nan 0.000 0.467 279 W N 0.827 122.143 121.300 0.025 0.000 2.905 279 W HA 0.118 4.778 4.660 -0.000 0.000 0.251 279 W C 1.289 177.783 176.519 -0.042 0.000 1.305 279 W CA -0.104 57.209 57.345 -0.053 0.000 1.465 279 W CB 0.117 29.516 29.460 -0.102 0.000 1.122 279 W HN 0.060 nan 8.180 nan 0.000 0.659 280 N N 0.363 119.151 118.700 0.146 0.000 2.521 280 N HA -0.071 4.669 4.740 -0.001 0.000 0.188 280 N C 1.498 177.018 175.510 0.017 0.000 1.146 280 N CA 1.094 54.196 53.050 0.086 0.000 0.893 280 N CB -0.279 38.256 38.487 0.079 0.000 0.975 280 N HN 0.262 nan 8.380 nan 0.000 0.451 281 V N -2.864 117.028 119.914 -0.037 0.000 3.578 281 V HA 0.300 4.420 4.120 -0.001 0.000 0.290 281 V C 0.691 176.687 176.094 -0.163 0.000 1.376 281 V CA -0.257 61.982 62.300 -0.100 0.000 1.083 281 V CB -0.452 31.296 31.823 -0.125 0.000 0.911 281 V HN -0.049 nan 8.190 nan 0.000 0.433 282 L N 2.504 123.646 121.223 -0.135 0.000 2.514 282 L HA 0.193 4.533 4.340 -0.001 0.000 0.280 282 L C -0.315 176.423 176.870 -0.220 0.000 1.223 282 L CA -0.691 54.055 54.840 -0.158 0.000 0.864 282 L CB 0.667 42.699 42.059 -0.046 0.000 1.118 282 L HN 0.169 nan 8.230 nan 0.000 0.494 283 P HA -0.013 nan 4.420 nan 0.000 0.224 283 P C -0.187 176.658 177.300 -0.759 0.000 1.157 283 P CA 1.033 63.732 63.100 -0.670 0.000 0.799 283 P CB 0.329 31.429 31.700 -0.999 0.000 0.809 284 F N -0.209 119.737 119.950 -0.007 0.000 2.618 284 F HA 0.404 4.930 4.527 -0.001 0.000 0.332 284 F C 0.457 176.259 175.800 0.004 0.000 1.061 284 F CA -1.722 56.279 58.000 0.003 0.000 0.974 284 F CB 0.088 39.095 39.000 0.011 0.000 1.310 284 F HN -0.351 nan 8.300 nan 0.000 0.491 285 D N 1.151 121.693 120.400 0.236 0.000 2.374 285 D HA 0.358 4.997 4.640 -0.001 0.000 0.240 285 D C -0.583 175.792 176.300 0.125 0.000 1.229 285 D CA 0.217 54.293 54.000 0.125 0.000 0.895 285 D CB 0.222 41.075 40.800 0.088 0.000 1.046 285 D HN 0.587 nan 8.370 nan 0.000 0.498 286 S N 2.543 118.307 115.700 0.107 0.000 2.732 286 S HA 0.770 5.239 4.470 -0.001 0.000 0.293 286 S C -0.796 173.826 174.600 0.037 0.000 1.159 286 S CA -0.910 57.342 58.200 0.087 0.000 0.847 286 S CB 1.412 64.695 63.200 0.138 0.000 1.169 286 S HN 0.235 nan 8.310 nan 0.000 0.501 287 I N 0.335 120.922 120.570 0.028 0.000 2.686 287 I HA 0.680 4.849 4.170 -0.001 0.000 0.295 287 I C -0.902 175.207 176.117 -0.014 0.000 1.114 287 I CA -0.867 60.440 61.300 0.012 0.000 1.038 287 I CB 1.466 39.497 38.000 0.051 0.000 1.238 287 I HN 0.827 nan 8.210 nan 0.000 0.420 288 F N 5.339 125.017 119.950 -0.452 0.000 3.056 288 F HA -0.219 4.307 4.527 -0.001 0.000 0.301 288 F C -0.360 174.823 175.800 -1.029 0.000 0.907 288 F CA 0.400 57.849 58.000 -0.919 0.000 1.113 288 F CB -0.594 38.060 39.000 -0.577 0.000 1.123 288 F HN 0.455 nan 8.300 nan 0.000 0.661 289 R N 0.487 120.486 120.500 -0.834 0.000 2.621 289 R HA 0.638 4.977 4.340 -0.001 0.000 0.284 289 R C -1.027 174.855 176.300 -0.697 0.000 0.998 289 R CA -0.563 55.124 56.100 -0.688 0.000 0.895 289 R CB 1.419 31.614 30.300 -0.174 0.000 1.195 289 R HN -0.013 nan 8.270 nan 0.000 0.450 290 F N -0.604 119.411 119.950 0.108 0.000 2.532 290 F HA 0.376 4.902 4.527 -0.001 0.000 0.321 290 F C 1.588 177.276 175.800 -0.188 0.000 1.089 290 F CA -0.910 57.078 58.000 -0.021 0.000 0.926 290 F CB 1.672 40.775 39.000 0.171 0.000 1.168 290 F HN 0.361 nan 8.300 nan 0.000 0.459 291 S N 0.732 116.251 115.700 -0.302 0.000 2.353 291 S HA -0.092 4.378 4.470 -0.001 0.000 0.222 291 S C 0.109 174.184 174.600 -0.875 0.000 1.035 291 S CA 1.342 59.142 58.200 -0.666 0.000 1.025 291 S CB -0.284 62.355 63.200 -0.935 0.000 0.902 291 S HN 0.355 nan 8.310 nan 0.000 0.440 292 F N 1.602 121.561 119.950 0.015 0.000 2.325 292 F HA 0.552 5.078 4.527 -0.001 0.000 0.369 292 F C 0.053 175.899 175.800 0.077 0.000 1.095 292 F CA -1.034 57.022 58.000 0.092 0.000 1.082 292 F CB 1.098 40.187 39.000 0.150 0.000 1.289 292 F HN -0.076 nan 8.300 nan 0.000 0.462 293 V N 0.811 120.737 119.914 0.020 0.000 3.158 293 V HA 0.766 4.886 4.120 -0.001 0.000 0.311 293 V C -2.902 172.945 176.094 -0.412 0.000 1.181 293 V CA -3.339 58.692 62.300 -0.448 0.000 1.054 293 V CB 2.019 33.723 31.823 -0.198 0.000 1.085 293 V HN 0.237 nan 8.190 nan 0.000 0.446 294 P HA 0.228 nan 4.420 nan 0.000 0.266 294 P C -0.596 176.643 177.300 -0.102 0.000 1.193 294 P CA 0.299 63.241 63.100 -0.263 0.000 0.770 294 P CB 0.402 31.874 31.700 -0.380 0.000 0.836 295 V N 1.377 121.312 119.914 0.036 0.000 2.581 295 V HA 0.399 4.519 4.120 -0.001 0.000 0.303 295 V C 0.139 176.288 176.094 0.091 0.000 1.041 295 V CA -0.871 61.438 62.300 0.016 0.000 0.907 295 V CB 1.586 33.422 31.823 0.021 0.000 0.994 295 V HN 0.237 nan 8.190 nan 0.000 0.442 296 I N 4.954 125.513 120.570 -0.019 0.000 2.293 296 I HA 0.189 4.359 4.170 -0.001 0.000 0.299 296 I C 0.819 176.939 176.117 0.004 0.000 1.153 296 I CA 0.169 61.474 61.300 0.010 0.000 1.302 296 I CB -0.020 37.908 38.000 -0.119 0.000 1.460 296 I HN 0.968 nan 8.210 nan 0.000 0.552 297 D N 3.208 123.666 120.400 0.098 0.000 2.369 297 D HA 0.100 4.740 4.640 -0.001 0.000 0.211 297 D C 1.335 177.629 176.300 -0.009 0.000 1.077 297 D CA 0.595 54.547 54.000 -0.081 0.000 0.842 297 D CB 0.612 41.435 40.800 0.038 0.000 0.947 297 D HN 0.634 nan 8.370 nan 0.000 0.509 298 G N 0.398 109.252 108.800 0.089 0.000 2.176 298 G HA2 -0.346 3.614 3.960 -0.001 0.000 0.253 298 G HA3 -0.346 3.614 3.960 -0.001 0.000 0.253 298 G C 0.783 175.748 174.900 0.109 0.000 0.979 298 G CA 0.651 45.807 45.100 0.094 0.000 0.641 298 G HN 0.464 nan 8.290 nan 0.000 0.530 299 E N -1.541 118.737 120.200 0.129 0.000 2.592 299 E HA 0.438 4.787 4.350 -0.001 0.000 0.184 299 E C 1.706 178.322 176.600 0.026 0.000 1.056 299 E CA -0.158 56.294 56.400 0.088 0.000 1.151 299 E CB -0.082 29.689 29.700 0.118 0.000 1.435 299 E HN 0.170 nan 8.360 nan 0.000 0.496 300 F N 0.800 120.683 119.950 -0.111 0.000 2.126 300 F HA -0.027 4.500 4.527 -0.001 0.000 0.299 300 F C 0.073 175.602 175.800 -0.452 0.000 1.096 300 F CA 1.194 58.995 58.000 -0.332 0.000 1.255 300 F CB 0.281 38.986 39.000 -0.491 0.000 0.997 300 F HN -0.108 nan 8.300 nan 0.000 0.479 301 F N 0.748 120.831 119.950 0.222 0.000 2.403 301 F HA 0.353 4.879 4.527 -0.001 0.000 0.355 301 F C -1.624 174.209 175.800 0.055 0.000 1.119 301 F CA -2.849 55.223 58.000 0.120 0.000 1.007 301 F CB 0.674 39.748 39.000 0.124 0.000 1.194 301 F HN -0.243 nan 8.300 nan 0.000 0.443 302 P HA -0.067 nan 4.420 nan 0.000 0.215 302 P C 0.409 177.765 177.300 0.094 0.000 1.153 302 P CA 1.526 64.685 63.100 0.098 0.000 0.853 302 P CB 0.165 31.897 31.700 0.054 0.000 0.788 303 T N -5.636 108.980 114.554 0.104 0.000 2.654 303 T HA 0.482 4.831 4.350 -0.001 0.000 0.289 303 T C -0.243 174.486 174.700 0.048 0.000 1.062 303 T CA -0.627 61.511 62.100 0.062 0.000 1.041 303 T CB 0.739 69.632 68.868 0.041 0.000 1.417 303 T HN 0.032 nan 8.240 nan 0.000 0.510 304 S N 0.064 115.769 115.700 0.009 0.000 2.559 304 S HA 0.130 4.600 4.470 -0.001 0.000 0.282 304 S C 1.490 176.074 174.600 -0.026 0.000 1.336 304 S CA -0.648 57.532 58.200 -0.033 0.000 1.037 304 S CB -0.402 62.780 63.200 -0.031 0.000 0.853 304 S HN 0.659 nan 8.310 nan 0.000 0.523 305 L N 0.589 121.754 121.223 -0.097 0.000 2.046 305 L HA -0.104 4.236 4.340 -0.001 0.000 0.208 305 L C 2.946 179.833 176.870 0.029 0.000 1.077 305 L CA 1.930 56.728 54.840 -0.069 0.000 0.747 305 L CB -0.828 41.123 42.059 -0.179 0.000 0.896 305 L HN 0.805 nan 8.230 nan 0.000 0.432 306 E N 0.785 121.000 120.200 0.025 0.000 2.085 306 E HA -0.213 4.137 4.350 -0.001 0.000 0.194 306 E C 2.260 178.917 176.600 0.095 0.000 0.994 306 E CA 1.889 58.343 56.400 0.089 0.000 0.801 306 E CB -0.126 29.613 29.700 0.065 0.000 0.743 306 E HN 0.491 nan 8.360 nan 0.000 0.453 307 S N -0.564 115.173 115.700 0.061 0.000 2.387 307 S HA -0.139 4.330 4.470 -0.001 0.000 0.226 307 S C 2.170 176.814 174.600 0.073 0.000 1.026 307 S CA 1.194 59.430 58.200 0.060 0.000 0.972 307 S CB -0.380 62.842 63.200 0.037 0.000 0.814 307 S HN 0.253 nan 8.310 nan 0.000 0.477 308 M N 1.038 120.693 119.600 0.090 0.000 2.108 308 M HA -0.005 4.475 4.480 -0.001 0.000 0.261 308 M C 2.221 178.651 176.300 0.218 0.000 1.066 308 M CA 1.505 56.883 55.300 0.129 0.000 1.107 308 M CB -0.663 32.040 32.600 0.171 0.000 1.356 308 M HN 0.321 nan 8.290 nan 0.000 0.406 309 L N -0.166 121.192 121.223 0.226 0.000 2.046 309 L HA -0.239 4.100 4.340 -0.001 0.000 0.208 309 L C 2.183 179.222 176.870 0.282 0.000 1.077 309 L CA 0.938 55.949 54.840 0.285 0.000 0.747 309 L CB -0.821 41.329 42.059 0.152 0.000 0.896 309 L HN 0.360 nan 8.230 nan 0.000 0.432 310 N N -0.188 118.620 118.700 0.180 0.000 2.188 310 N HA -0.138 4.602 4.740 -0.001 0.000 0.184 310 N C 1.924 177.522 175.510 0.147 0.000 1.018 310 N CA 1.715 54.871 53.050 0.177 0.000 0.858 310 N CB -0.190 38.374 38.487 0.128 0.000 0.989 310 N HN 0.338 nan 8.380 nan 0.000 0.426 311 S N -1.022 114.685 115.700 0.011 0.000 2.593 311 S HA 0.245 4.715 4.470 -0.001 0.000 0.217 311 S C 1.317 175.586 174.600 -0.552 0.000 0.966 311 S CA 0.432 58.562 58.200 -0.117 0.000 0.914 311 S CB 0.071 63.221 63.200 -0.084 0.000 0.776 311 S HN 0.404 nan 8.310 nan 0.000 0.523 312 G N 1.946 110.171 108.800 -0.958 0.000 2.153 312 G HA2 -0.297 3.663 3.960 -0.001 0.000 0.252 312 G HA3 -0.297 3.663 3.960 -0.001 0.000 0.252 312 G C 0.031 174.066 174.900 -1.441 0.000 0.994 312 G CA 0.096 43.892 45.100 -2.172 0.000 0.698 312 G HN 0.618 nan 8.290 nan 0.000 0.521 313 N N 0.682 118.997 118.700 -0.641 0.000 2.819 313 N HA 0.493 5.233 4.740 -0.001 0.000 0.284 313 N C -0.126 175.338 175.510 -0.077 0.000 1.196 313 N CA -0.022 52.838 53.050 -0.317 0.000 1.114 313 N CB -0.951 37.475 38.487 -0.102 0.000 1.437 313 N HN 0.703 nan 8.380 nan 0.000 0.518 314 F N -1.120 118.768 119.950 -0.103 0.000 2.807 314 F HA 0.411 4.937 4.527 -0.000 0.000 0.316 314 F C -0.338 175.474 175.800 0.021 0.000 1.162 314 F CA -1.440 56.573 58.000 0.021 0.000 0.910 314 F CB 0.636 39.716 39.000 0.134 0.000 1.314 314 F HN -0.155 nan 8.300 nan 0.000 0.454 315 K N 1.450 122.091 120.400 0.402 0.000 2.412 315 K HA 0.225 4.545 4.320 -0.001 0.000 0.281 315 K C -1.029 175.811 176.600 0.400 0.000 1.027 315 K CA -0.309 56.127 56.287 0.249 0.000 0.989 315 K CB 0.534 33.128 32.500 0.158 0.000 0.935 315 K HN 0.571 nan 8.250 nan 0.000 0.475 316 K N 2.756 123.262 120.400 0.178 0.000 2.264 316 K HA 0.222 4.541 4.320 -0.001 0.000 0.277 316 K C -0.187 176.534 176.600 0.201 0.000 1.067 316 K CA -0.216 56.167 56.287 0.160 0.000 0.900 316 K CB 1.583 34.092 32.500 0.015 0.000 1.124 316 K HN 0.734 nan 8.250 nan 0.000 0.469 317 T N 1.087 115.855 114.554 0.358 0.000 2.630 317 T HA 0.359 4.709 4.350 -0.001 0.000 0.300 317 T C -1.355 173.553 174.700 0.346 0.000 1.261 317 T CA -0.615 61.642 62.100 0.261 0.000 1.060 317 T CB 0.494 69.481 68.868 0.198 0.000 1.670 317 T HN 0.341 nan 8.240 nan 0.000 0.473 318 Q N 0.852 120.817 119.800 0.274 0.000 2.214 318 Q HA 0.788 5.127 4.340 -0.001 0.000 0.251 318 Q C -0.388 175.883 176.000 0.452 0.000 0.936 318 Q CA -0.522 55.499 55.803 0.364 0.000 0.894 318 Q CB 1.349 30.290 28.738 0.339 0.000 1.252 318 Q HN 0.704 nan 8.270 nan 0.000 0.448 319 I N -1.744 119.058 120.570 0.386 0.000 2.802 319 I HA 0.676 4.846 4.170 -0.001 0.000 0.298 319 I C -1.582 174.448 176.117 -0.145 0.000 1.176 319 I CA -1.326 60.068 61.300 0.157 0.000 1.025 319 I CB 1.886 39.804 38.000 -0.136 0.000 1.243 319 I HN 0.539 nan 8.210 nan 0.000 0.424 320 L N 6.847 127.734 121.223 -0.560 0.000 2.381 320 L HA 0.821 5.160 4.340 -0.001 0.000 0.274 320 L C -1.381 175.265 176.870 -0.374 0.000 0.988 320 L CA -0.578 53.819 54.840 -0.738 0.000 0.824 320 L CB 1.738 42.782 42.059 -1.693 0.000 1.263 320 L HN 0.855 nan 8.230 nan 0.000 0.410 321 L N 2.364 123.502 121.223 -0.142 0.000 2.671 321 L HA 1.095 5.434 4.340 -0.001 0.000 0.259 321 L C -0.877 175.778 176.870 -0.357 0.000 1.021 321 L CA -0.435 54.353 54.840 -0.087 0.000 0.871 321 L CB 1.909 43.909 42.059 -0.098 0.000 1.472 321 L HN 0.679 nan 8.230 nan 0.000 0.410 322 G N 0.009 108.361 108.800 -0.745 0.000 2.430 322 G HA2 0.604 4.563 3.960 -0.001 0.000 0.300 322 G HA3 0.604 4.563 3.960 -0.001 0.000 0.300 322 G C -1.478 173.018 174.900 -0.674 0.000 1.330 322 G CA -0.007 44.273 45.100 -1.368 0.000 0.813 322 G HN 1.409 nan 8.290 nan 0.000 0.487 323 V N -2.482 117.198 119.914 -0.391 0.000 3.158 323 V HA 0.863 4.982 4.120 -0.001 0.000 0.311 323 V C -0.860 175.226 176.094 -0.013 0.000 1.181 323 V CA -1.436 60.816 62.300 -0.080 0.000 1.054 323 V CB 1.915 33.717 31.823 -0.035 0.000 1.085 323 V HN 0.652 nan 8.190 nan 0.000 0.446 324 N N 0.641 119.314 118.700 -0.045 0.000 2.472 324 N HA 0.419 5.159 4.740 -0.001 0.000 0.289 324 N C 0.590 175.936 175.510 -0.274 0.000 1.156 324 N CA -0.476 52.539 53.050 -0.057 0.000 0.940 324 N CB 1.758 40.298 38.487 0.087 0.000 1.200 324 N HN 0.940 nan 8.380 nan 0.000 0.511 325 K N 0.104 120.270 120.400 -0.390 0.000 2.063 325 K HA -0.085 4.234 4.320 -0.001 0.000 0.208 325 K C -0.629 176.002 176.600 0.051 0.000 1.048 325 K CA 1.306 57.471 56.287 -0.205 0.000 0.928 325 K CB 0.169 32.645 32.500 -0.040 0.000 0.713 325 K HN 0.493 nan 8.250 nan 0.000 0.442 326 D N 1.708 122.129 120.400 0.035 0.000 2.590 326 D HA 0.042 4.682 4.640 -0.001 0.000 0.280 326 D C -0.219 176.109 176.300 0.046 0.000 1.197 326 D CA -0.032 54.015 54.000 0.078 0.000 0.967 326 D CB 1.249 42.099 40.800 0.082 0.000 0.987 326 D HN 0.244 nan 8.370 nan 0.000 0.508 327 E N 0.122 120.346 120.200 0.040 0.000 2.502 327 E HA 0.014 4.364 4.350 -0.001 0.000 0.194 327 E C 1.659 178.443 176.600 0.306 0.000 1.062 327 E CA -0.003 56.408 56.400 0.019 0.000 0.867 327 E CB 0.632 30.314 29.700 -0.029 0.000 0.888 327 E HN 0.402 nan 8.360 nan 0.000 0.510 328 G N 0.487 109.438 108.800 0.252 0.000 2.709 328 G HA2 -0.081 3.878 3.960 -0.001 0.000 0.208 328 G HA3 -0.081 3.878 3.960 -0.001 0.000 0.208 328 G C 1.665 176.694 174.900 0.214 0.000 1.129 328 G CA 0.001 45.276 45.100 0.291 0.000 0.793 328 G HN 0.113 nan 8.290 nan 0.000 0.524 329 S N 0.706 116.501 115.700 0.158 0.000 2.380 329 S HA -0.257 4.213 4.470 -0.001 0.000 0.229 329 S C 1.875 176.423 174.600 -0.086 0.000 1.050 329 S CA 1.793 60.029 58.200 0.059 0.000 1.100 329 S CB -0.493 62.654 63.200 -0.089 0.000 0.984 329 S HN 0.434 nan 8.310 nan 0.000 0.434 330 F N 1.099 120.861 119.950 -0.314 0.000 2.069 330 F HA -0.139 4.387 4.527 -0.001 0.000 0.298 330 F C 1.805 177.278 175.800 -0.544 0.000 1.113 330 F CA 1.582 59.235 58.000 -0.578 0.000 1.214 330 F CB -0.421 38.032 39.000 -0.911 0.000 0.978 330 F HN 0.178 nan 8.300 nan 0.000 0.474 331 F N -0.017 119.777 119.950 -0.260 0.000 2.325 331 F HA -0.080 4.447 4.527 -0.001 0.000 0.299 331 F C 2.078 177.724 175.800 -0.256 0.000 1.090 331 F CA 0.697 58.498 58.000 -0.331 0.000 1.392 331 F CB -0.496 38.339 39.000 -0.275 0.000 1.053 331 F HN -0.035 nan 8.300 nan 0.000 0.521 332 L N -0.729 120.397 121.223 -0.161 0.000 2.056 332 L HA -0.191 4.149 4.340 -0.001 0.000 0.207 332 L C 2.410 178.992 176.870 -0.481 0.000 1.078 332 L CA 0.560 55.116 54.840 -0.475 0.000 0.749 332 L CB -0.559 40.929 42.059 -0.951 0.000 0.901 332 L HN 0.169 nan 8.230 nan 0.000 0.433 333 L N -0.984 120.113 121.223 -0.210 0.000 1.989 333 L HA -0.267 4.073 4.340 -0.001 0.000 0.211 333 L C 2.359 179.229 176.870 0.001 0.000 1.071 333 L CA 2.041 56.936 54.840 0.091 0.000 0.749 333 L CB -0.763 41.403 42.059 0.179 0.000 0.890 333 L HN 0.113 nan 8.230 nan 0.000 0.431 334 Y N -0.426 119.696 120.300 -0.297 0.000 2.293 334 Y HA 0.073 4.623 4.550 -0.001 0.000 0.291 334 Y C 2.317 178.122 175.900 -0.159 0.000 1.137 334 Y CA 1.319 59.270 58.100 -0.250 0.000 1.202 334 Y CB -0.415 37.778 38.460 -0.445 0.000 0.990 334 Y HN 0.330 nan 8.280 nan 0.000 0.537 335 G N -1.968 106.829 108.800 -0.004 0.000 3.443 335 G HA2 0.451 4.411 3.960 -0.001 0.000 0.252 335 G HA3 0.451 4.411 3.960 -0.001 0.000 0.252 335 G C -0.060 174.840 174.900 -0.000 0.000 1.015 335 G CA 0.389 45.482 45.100 -0.011 0.000 0.891 335 G HN 0.297 nan 8.290 nan 0.000 0.510 336 A N 1.542 124.358 122.820 -0.006 0.000 2.312 336 A HA 0.809 5.128 4.320 -0.001 0.000 0.326 336 A C -2.400 175.306 177.584 0.203 0.000 1.172 336 A CA -1.528 50.554 52.037 0.076 0.000 0.821 336 A CB 1.243 20.269 19.000 0.044 0.000 1.166 336 A HN 0.078 nan 8.150 nan 0.000 0.493 337 P HA 0.301 nan 4.420 nan 0.000 0.271 337 P C 0.797 178.183 177.300 0.142 0.000 1.218 337 P CA 1.323 64.498 63.100 0.124 0.000 0.780 337 P CB 1.200 32.939 31.700 0.066 0.000 0.901 338 G N 1.368 110.195 108.800 0.045 0.000 2.234 338 G HA2 -0.215 3.745 3.960 -0.001 0.000 0.235 338 G HA3 -0.215 3.745 3.960 -0.001 0.000 0.235 338 G C -0.207 174.542 174.900 -0.250 0.000 0.997 338 G CA -0.430 44.595 45.100 -0.126 0.000 0.623 338 G HN 0.456 nan 8.290 nan 0.000 0.514 339 F N 1.975 121.863 119.950 -0.104 0.000 2.422 339 F HA 0.699 5.226 4.527 -0.001 0.000 0.333 339 F C 0.666 176.458 175.800 -0.013 0.000 1.095 339 F CA -0.201 57.713 58.000 -0.143 0.000 1.038 339 F CB 2.254 41.220 39.000 -0.056 0.000 1.156 339 F HN 0.109 nan 8.300 nan 0.000 0.483 340 S N 1.234 117.059 115.700 0.209 0.000 2.579 340 S HA 0.286 4.756 4.470 -0.001 0.000 0.272 340 S C 0.349 175.157 174.600 0.348 0.000 1.141 340 S CA -1.225 57.109 58.200 0.225 0.000 0.843 340 S CB 2.200 65.462 63.200 0.103 0.000 1.122 340 S HN 0.693 nan 8.310 nan 0.000 0.468 341 K N 0.242 120.789 120.400 0.244 0.000 2.155 341 K HA -0.032 4.288 4.320 -0.001 0.000 0.203 341 K C -0.217 176.432 176.600 0.081 0.000 1.052 341 K CA 1.249 57.600 56.287 0.107 0.000 0.948 341 K CB 0.029 32.266 32.500 -0.439 0.000 0.728 341 K HN 0.494 nan 8.250 nan 0.000 0.448 342 D N 0.434 120.864 120.400 0.050 0.000 2.463 342 D HA 0.029 4.669 4.640 -0.001 0.000 0.224 342 D C -0.194 176.140 176.300 0.057 0.000 1.174 342 D CA 0.087 54.099 54.000 0.020 0.000 0.829 342 D CB 0.801 41.579 40.800 -0.035 0.000 0.993 342 D HN 0.152 nan 8.370 nan 0.000 0.497 343 S N -1.210 114.549 115.700 0.098 0.000 2.667 343 S HA 0.328 4.797 4.470 -0.001 0.000 0.292 343 S C 0.692 175.313 174.600 0.036 0.000 1.126 343 S CA -0.702 57.516 58.200 0.029 0.000 0.881 343 S CB 2.611 65.788 63.200 -0.039 0.000 1.132 343 S HN -0.150 nan 8.310 nan 0.000 0.492 344 E N 0.520 120.693 120.200 -0.045 0.000 2.482 344 E HA 0.053 4.403 4.350 -0.001 0.000 0.196 344 E C -0.405 175.905 176.600 -0.484 0.000 1.047 344 E CA 0.319 56.667 56.400 -0.085 0.000 0.869 344 E CB -0.156 29.522 29.700 -0.037 0.000 0.836 344 E HN 0.734 nan 8.360 nan 0.000 0.520 345 S N 1.096 116.471 115.700 -0.541 0.000 3.628 345 S HA -0.170 4.300 4.470 -0.001 0.000 0.373 345 S C -0.248 173.944 174.600 -0.681 0.000 0.968 345 S CA 0.672 58.409 58.200 -0.771 0.000 1.215 345 S CB -1.043 61.303 63.200 -1.423 0.000 0.912 345 S HN 0.254 nan 8.310 nan 0.000 0.495 346 K N 0.970 121.126 120.400 -0.408 0.000 2.350 346 K HA 0.307 4.627 4.320 -0.001 0.000 0.279 346 K C 0.310 176.710 176.600 -0.335 0.000 1.027 346 K CA -0.033 56.070 56.287 -0.307 0.000 0.969 346 K CB 0.409 32.796 32.500 -0.189 0.000 0.954 346 K HN 0.208 nan 8.250 nan 0.000 0.474 347 I N 2.780 123.170 120.570 -0.300 0.000 2.354 347 I HA 0.079 4.248 4.170 -0.001 0.000 0.292 347 I C 0.718 176.761 176.117 -0.123 0.000 0.989 347 I CA -0.426 60.720 61.300 -0.256 0.000 1.188 347 I CB 1.203 39.039 38.000 -0.274 0.000 1.342 347 I HN 0.707 nan 8.210 nan 0.000 0.457 348 S N 5.965 121.610 115.700 -0.091 0.000 2.589 348 S HA 0.166 4.636 4.470 -0.001 0.000 0.265 348 S C 1.215 175.823 174.600 0.013 0.000 1.342 348 S CA -0.298 57.874 58.200 -0.047 0.000 1.005 348 S CB 1.362 64.541 63.200 -0.035 0.000 0.909 348 S HN 0.628 nan 8.310 nan 0.000 0.555 349 R N 0.918 121.419 120.500 0.002 0.000 2.105 349 R HA -0.116 4.224 4.340 -0.001 0.000 0.239 349 R C 2.253 178.633 176.300 0.132 0.000 1.135 349 R CA 2.214 58.339 56.100 0.043 0.000 0.967 349 R CB -0.889 29.417 30.300 0.010 0.000 0.861 349 R HN 0.938 nan 8.270 nan 0.000 0.442 350 E N -0.290 119.957 120.200 0.080 0.000 2.051 350 E HA -0.193 4.157 4.350 -0.001 0.000 0.192 350 E C 0.869 177.517 176.600 0.079 0.000 0.991 350 E CA 1.649 58.094 56.400 0.075 0.000 0.799 350 E CB -0.078 29.647 29.700 0.042 0.000 0.748 350 E HN 0.338 nan 8.360 nan 0.000 0.449 351 D N -0.238 120.202 120.400 0.066 0.000 2.224 351 D HA -0.110 4.530 4.640 -0.001 0.000 0.205 351 D C 1.516 177.876 176.300 0.100 0.000 0.965 351 D CA 0.367 54.403 54.000 0.060 0.000 0.852 351 D CB -0.317 40.489 40.800 0.011 0.000 0.947 351 D HN 0.191 nan 8.370 nan 0.000 0.494 352 F N 1.019 120.969 119.950 -0.000 0.000 2.095 352 F HA -0.144 4.383 4.527 -0.001 0.000 0.298 352 F C 2.201 178.027 175.800 0.045 0.000 1.104 352 F CA 1.362 59.375 58.000 0.020 0.000 1.232 352 F CB -0.182 38.811 39.000 -0.012 0.000 0.987 352 F HN -0.136 nan 8.300 nan 0.000 0.475 353 M N -1.080 118.560 119.600 0.067 0.000 2.254 353 M HA -0.151 4.329 4.480 -0.001 0.000 0.265 353 M C 2.212 178.482 176.300 -0.049 0.000 1.066 353 M CA 1.238 56.531 55.300 -0.012 0.000 1.123 353 M CB -0.379 32.286 32.600 0.108 0.000 1.388 353 M HN 0.012 nan 8.290 nan 0.000 0.425 354 S N 0.509 116.203 115.700 -0.012 0.000 2.402 354 S HA -0.068 4.402 4.470 -0.001 0.000 0.229 354 S C 1.962 176.544 174.600 -0.030 0.000 1.021 354 S CA 1.350 59.547 58.200 -0.006 0.000 0.974 354 S CB -0.566 62.647 63.200 0.021 0.000 0.800 354 S HN 0.684 nan 8.310 nan 0.000 0.484 355 G N 1.173 109.938 108.800 -0.060 0.000 2.402 355 G HA2 -0.146 3.813 3.960 -0.001 0.000 0.216 355 G HA3 -0.146 3.813 3.960 -0.001 0.000 0.216 355 G C 1.607 176.426 174.900 -0.135 0.000 1.162 355 G CA 0.960 46.020 45.100 -0.066 0.000 0.777 355 G HN 0.503 nan 8.290 nan 0.000 0.539 356 V N 0.437 120.202 119.914 -0.248 0.000 2.427 356 V HA -0.018 4.102 4.120 -0.001 0.000 0.248 356 V C 2.542 178.570 176.094 -0.109 0.000 1.051 356 V CA 2.705 64.882 62.300 -0.205 0.000 1.048 356 V CB -0.371 31.299 31.823 -0.254 0.000 0.666 356 V HN 0.279 nan 8.190 nan 0.000 0.456 357 K N 0.250 120.595 120.400 -0.091 0.000 2.032 357 K HA -0.128 4.191 4.320 -0.001 0.000 0.209 357 K C 1.910 178.474 176.600 -0.060 0.000 1.048 357 K CA 2.236 58.482 56.287 -0.069 0.000 0.927 357 K CB -0.883 31.593 32.500 -0.041 0.000 0.712 357 K HN 0.448 nan 8.250 nan 0.000 0.441 358 L N 0.826 122.027 121.223 -0.036 0.000 2.131 358 L HA -0.053 4.287 4.340 -0.001 0.000 0.210 358 L C 2.093 178.962 176.870 -0.001 0.000 1.092 358 L CA 1.678 56.514 54.840 -0.007 0.000 0.759 358 L CB -0.986 41.076 42.059 0.006 0.000 0.903 358 L HN 0.178 nan 8.230 nan 0.000 0.435 359 S N -1.592 114.096 115.700 -0.019 0.000 2.436 359 S HA 0.049 4.519 4.470 -0.001 0.000 0.228 359 S C 0.948 175.528 174.600 -0.034 0.000 1.014 359 S CA 0.279 58.482 58.200 0.005 0.000 0.950 359 S CB 0.279 63.474 63.200 -0.010 0.000 0.784 359 S HN 0.173 nan 8.310 nan 0.000 0.504 360 V N 2.567 122.411 119.914 -0.116 0.000 2.361 360 V HA 0.237 4.357 4.120 -0.001 0.000 0.252 360 V C -2.150 173.742 176.094 -0.336 0.000 0.986 360 V CA -1.501 60.633 62.300 -0.276 0.000 1.033 360 V CB 0.618 32.268 31.823 -0.289 0.000 1.282 360 V HN 0.104 nan 8.190 nan 0.000 0.514 361 P HA -0.213 nan 4.420 nan 0.000 0.216 361 P C 1.316 178.206 177.300 -0.683 0.000 1.154 361 P CA 1.645 64.546 63.100 -0.332 0.000 0.865 361 P CB -0.079 31.550 31.700 -0.119 0.000 0.789 362 H N -1.611 117.135 119.070 -0.540 0.000 2.547 362 H HA 0.472 5.028 4.556 -0.001 0.000 0.274 362 H C 0.293 175.454 175.328 -0.278 0.000 1.024 362 H CA -0.115 55.641 56.048 -0.486 0.000 1.155 362 H CB -0.712 28.910 29.762 -0.233 0.000 1.344 362 H HN -0.010 nan 8.280 nan 0.000 0.598 363 A N 2.172 124.664 122.820 -0.547 0.000 2.310 363 A HA 0.312 4.632 4.320 -0.001 0.000 0.299 363 A C 0.344 177.798 177.584 -0.217 0.000 1.147 363 A CA -0.693 51.125 52.037 -0.365 0.000 0.818 363 A CB 0.740 19.526 19.000 -0.357 0.000 1.096 363 A HN 0.616 nan 8.150 nan 0.000 0.495 364 N N 1.138 119.751 118.700 -0.145 0.000 2.405 364 N HA 0.156 4.896 4.740 -0.001 0.000 0.269 364 N C -0.199 175.268 175.510 -0.071 0.000 1.249 364 N CA -0.435 52.559 53.050 -0.092 0.000 0.974 364 N CB 0.105 38.552 38.487 -0.066 0.000 1.204 364 N HN 0.440 nan 8.380 nan 0.000 0.565 365 D N -0.739 119.636 120.400 -0.042 0.000 2.144 365 D HA -0.101 4.538 4.640 -0.001 0.000 0.199 365 D C 1.677 177.973 176.300 -0.005 0.000 0.984 365 D CA 0.688 54.675 54.000 -0.021 0.000 0.834 365 D CB -0.231 40.564 40.800 -0.008 0.000 0.955 365 D HN 0.450 nan 8.370 nan 0.000 0.465 366 L N 0.578 121.796 121.223 -0.009 0.000 2.046 366 L HA 0.027 4.366 4.340 -0.001 0.000 0.208 366 L C 2.117 178.997 176.870 0.017 0.000 1.077 366 L CA 1.962 56.808 54.840 0.009 0.000 0.747 366 L CB -0.888 41.170 42.059 -0.001 0.000 0.896 366 L HN 0.066 nan 8.230 nan 0.000 0.432 367 G N -0.354 108.431 108.800 -0.025 0.000 2.421 367 G HA2 -0.237 3.723 3.960 -0.001 0.000 0.216 367 G HA3 -0.237 3.723 3.960 -0.001 0.000 0.216 367 G C 1.586 176.490 174.900 0.006 0.000 1.171 367 G CA 1.079 46.156 45.100 -0.038 0.000 0.775 367 G HN 0.439 nan 8.290 nan 0.000 0.543 368 L N 0.463 121.678 121.223 -0.014 0.000 2.131 368 L HA -0.059 4.281 4.340 -0.001 0.000 0.210 368 L C 2.409 179.321 176.870 0.069 0.000 1.092 368 L CA 1.030 55.875 54.840 0.009 0.000 0.759 368 L CB -0.339 41.710 42.059 -0.015 0.000 0.903 368 L HN 0.085 nan 8.230 nan 0.000 0.435 369 D N 0.174 120.619 120.400 0.075 0.000 2.144 369 D HA -0.123 4.516 4.640 -0.001 0.000 0.200 369 D C 2.245 178.631 176.300 0.143 0.000 0.978 369 D CA 1.389 55.455 54.000 0.109 0.000 0.833 369 D CB 0.013 40.863 40.800 0.084 0.000 0.961 369 D HN 0.301 nan 8.370 nan 0.000 0.470 370 A N 0.399 123.320 122.820 0.168 0.000 1.898 370 A HA -0.105 4.214 4.320 -0.001 0.000 0.216 370 A C 2.475 180.176 177.584 0.195 0.000 1.181 370 A CA 1.032 53.223 52.037 0.258 0.000 0.620 370 A CB -0.636 18.623 19.000 0.433 0.000 0.819 370 A HN 0.136 nan 8.150 nan 0.000 0.442 371 V N -0.198 119.846 119.914 0.216 0.000 2.307 371 V HA -0.220 3.900 4.120 -0.001 0.000 0.245 371 V C 2.748 178.950 176.094 0.179 0.000 1.045 371 V CA 2.475 64.854 62.300 0.131 0.000 1.024 371 V CB -1.316 30.616 31.823 0.182 0.000 0.651 371 V HN 0.598 nan 8.190 nan 0.000 0.449 372 T N 0.623 115.302 114.554 0.208 0.000 2.746 372 T HA -0.188 4.162 4.350 -0.001 0.000 0.267 372 T C 1.898 176.778 174.700 0.300 0.000 1.039 372 T CA 1.763 64.058 62.100 0.324 0.000 1.142 372 T CB -0.368 68.685 68.868 0.310 0.000 0.866 372 T HN 0.263 nan 8.240 nan 0.000 0.444 373 L N 1.409 122.768 121.223 0.227 0.000 2.017 373 L HA -0.046 4.294 4.340 -0.001 0.000 0.208 373 L C 2.501 179.406 176.870 0.058 0.000 1.073 373 L CA 1.853 56.827 54.840 0.224 0.000 0.745 373 L CB -1.102 41.039 42.059 0.136 0.000 0.894 373 L HN 0.134 nan 8.230 nan 0.000 0.432 374 Q N -1.399 118.325 119.800 -0.127 0.000 2.234 374 Q HA -0.220 4.120 4.340 -0.001 0.000 0.206 374 Q C 1.093 176.822 176.000 -0.452 0.000 0.980 374 Q CA 1.924 57.469 55.803 -0.430 0.000 0.869 374 Q CB -0.217 27.921 28.738 -1.001 0.000 0.912 374 Q HN 0.690 nan 8.270 nan 0.000 0.436 375 Y N -1.385 118.881 120.300 -0.056 0.000 2.557 375 Y HA 0.329 4.878 4.550 -0.001 0.000 0.247 375 Y C -0.233 175.631 175.900 -0.060 0.000 1.164 375 Y CA -0.282 57.832 58.100 0.023 0.000 1.218 375 Y CB 1.062 39.641 38.460 0.197 0.000 1.210 375 Y HN -0.175 nan 8.280 nan 0.000 0.529 376 T N 0.716 115.233 114.554 -0.062 0.000 2.795 376 T HA 0.105 4.455 4.350 -0.001 0.000 0.282 376 T C -0.834 173.597 174.700 -0.448 0.000 0.980 376 T CA -0.650 61.207 62.100 -0.406 0.000 1.012 376 T CB 1.156 69.614 68.868 -0.683 0.000 0.936 376 T HN -0.004 nan 8.240 nan 0.000 0.457 377 D N 1.813 121.939 120.400 -0.456 0.000 2.411 377 D HA 0.105 4.745 4.640 -0.001 0.000 0.225 377 D C -0.111 175.941 176.300 -0.413 0.000 1.156 377 D CA -0.765 53.057 54.000 -0.296 0.000 0.874 377 D CB 0.418 41.096 40.800 -0.203 0.000 1.034 377 D HN 0.601 nan 8.370 nan 0.000 0.502 378 W N 3.097 124.361 121.300 -0.061 0.000 3.096 378 W HA 0.075 4.735 4.660 -0.001 0.000 0.241 378 W C 1.886 178.378 176.519 -0.045 0.000 1.316 378 W CA -0.227 57.087 57.345 -0.053 0.000 1.520 378 W CB 0.022 29.456 29.460 -0.043 0.000 1.128 378 W HN 0.440 nan 8.180 nan 0.000 0.707 379 M N -0.425 119.209 119.600 0.056 0.000 2.441 379 M HA 0.039 4.519 4.480 -0.001 0.000 0.244 379 M C 0.071 176.364 176.300 -0.012 0.000 1.122 379 M CA 0.973 56.299 55.300 0.044 0.000 1.041 379 M CB 0.536 33.148 32.600 0.020 0.000 1.438 379 M HN -0.269 nan 8.290 nan 0.000 0.484 380 D N -0.409 119.940 120.400 -0.085 0.000 3.404 380 D HA 0.004 4.644 4.640 -0.001 0.000 0.329 380 D C 0.095 176.269 176.300 -0.210 0.000 1.421 380 D CA 0.168 54.101 54.000 -0.111 0.000 0.742 380 D CB 0.170 40.913 40.800 -0.095 0.000 1.290 380 D HN 0.341 nan 8.370 nan 0.000 0.600 381 D N -0.818 119.422 120.400 -0.266 0.000 2.351 381 D HA -0.132 4.508 4.640 -0.001 0.000 0.216 381 D C 0.553 176.658 176.300 -0.324 0.000 0.968 381 D CA 0.310 54.035 54.000 -0.458 0.000 0.899 381 D CB 0.204 40.612 40.800 -0.654 0.000 0.907 381 D HN 0.145 nan 8.370 nan 0.000 0.514 382 N N 0.437 119.023 118.700 -0.190 0.000 2.214 382 N HA -0.012 4.727 4.740 -0.001 0.000 0.214 382 N C -0.299 175.131 175.510 -0.132 0.000 1.132 382 N CA -0.190 52.776 53.050 -0.140 0.000 0.856 382 N CB 0.111 38.552 38.487 -0.078 0.000 1.020 382 N HN 0.383 nan 8.380 nan 0.000 0.509 383 N N 0.181 118.788 118.700 -0.154 0.000 2.416 383 N HA 0.050 4.790 4.740 -0.001 0.000 0.265 383 N C 1.482 176.910 175.510 -0.136 0.000 1.195 383 N CA -0.238 52.737 53.050 -0.124 0.000 0.943 383 N CB 0.701 39.118 38.487 -0.117 0.000 1.115 383 N HN 0.043 nan 8.380 nan 0.000 0.481 384 G N 4.165 112.895 108.800 -0.116 0.000 2.442 384 G HA2 -0.223 3.737 3.960 -0.001 0.000 0.219 384 G HA3 -0.223 3.737 3.960 -0.001 0.000 0.219 384 G C 1.289 176.115 174.900 -0.124 0.000 1.141 384 G CA 0.572 45.594 45.100 -0.129 0.000 0.763 384 G HN 0.608 nan 8.290 nan 0.000 0.554 385 I N 0.671 121.189 120.570 -0.088 0.000 2.286 385 I HA -0.002 4.168 4.170 -0.001 0.000 0.245 385 I C 2.534 178.637 176.117 -0.024 0.000 1.104 385 I CA 0.921 62.193 61.300 -0.048 0.000 1.397 385 I CB -0.970 37.020 38.000 -0.016 0.000 1.072 385 I HN 0.155 nan 8.210 nan 0.000 0.417 386 K N 0.596 120.963 120.400 -0.056 0.000 2.097 386 K HA -0.132 4.188 4.320 -0.001 0.000 0.205 386 K C 1.898 178.452 176.600 -0.078 0.000 1.050 386 K CA 1.098 57.348 56.287 -0.061 0.000 0.938 386 K CB -0.006 32.424 32.500 -0.116 0.000 0.718 386 K HN 0.271 nan 8.250 nan 0.000 0.442 387 N N 0.599 119.212 118.700 -0.145 0.000 2.142 387 N HA -0.168 4.571 4.740 -0.001 0.000 0.186 387 N C 1.715 177.317 175.510 0.154 0.000 1.023 387 N CA 0.880 53.845 53.050 -0.141 0.000 0.852 387 N CB -0.176 38.207 38.487 -0.174 0.000 0.998 387 N HN 0.162 nan 8.380 nan 0.000 0.424 388 R N 1.385 121.910 120.500 0.042 0.000 2.070 388 R HA -0.111 4.229 4.340 -0.001 0.000 0.232 388 R C 0.766 177.223 176.300 0.261 0.000 1.138 388 R CA 1.545 57.688 56.100 0.072 0.000 0.936 388 R CB -0.361 29.858 30.300 -0.135 0.000 0.839 388 R HN 0.090 nan 8.270 nan 0.000 0.429 389 D N -0.511 120.011 120.400 0.203 0.000 2.182 389 D HA -0.099 4.540 4.640 -0.001 0.000 0.201 389 D C 1.686 178.142 176.300 0.260 0.000 0.986 389 D CA 1.431 55.573 54.000 0.238 0.000 0.847 389 D CB -0.511 40.395 40.800 0.177 0.000 0.942 389 D HN 0.540 nan 8.370 nan 0.000 0.467 390 G N 0.396 109.359 108.800 0.272 0.000 2.402 390 G HA2 -0.188 3.772 3.960 -0.001 0.000 0.216 390 G HA3 -0.188 3.772 3.960 -0.001 0.000 0.216 390 G C 1.517 176.609 174.900 0.321 0.000 1.162 390 G CA 0.126 45.440 45.100 0.357 0.000 0.777 390 G HN 0.166 nan 8.290 nan 0.000 0.539 391 L N 1.308 122.757 121.223 0.377 0.000 2.056 391 L HA 0.000 4.340 4.340 -0.001 0.000 0.207 391 L C 2.358 179.329 176.870 0.168 0.000 1.078 391 L CA 1.988 56.956 54.840 0.215 0.000 0.749 391 L CB -0.865 41.394 42.059 0.333 0.000 0.901 391 L HN 0.290 nan 8.230 nan 0.000 0.433 392 D N -0.698 119.857 120.400 0.259 0.000 2.104 392 D HA -0.222 4.417 4.640 -0.001 0.000 0.194 392 D C 1.673 178.079 176.300 0.176 0.000 0.994 392 D CA 1.465 55.607 54.000 0.237 0.000 0.830 392 D CB 0.062 41.046 40.800 0.306 0.000 0.959 392 D HN 0.278 nan 8.370 nan 0.000 0.452 393 D N -0.357 120.149 120.400 0.177 0.000 2.117 393 D HA -0.099 4.540 4.640 -0.001 0.000 0.197 393 D C 2.319 178.631 176.300 0.020 0.000 0.987 393 D CA 0.547 54.654 54.000 0.179 0.000 0.829 393 D CB -0.206 40.790 40.800 0.328 0.000 0.961 393 D HN 0.377 nan 8.370 nan 0.000 0.460 394 I N 0.465 120.900 120.570 -0.226 0.000 2.142 394 I HA -0.242 3.928 4.170 -0.001 0.000 0.240 394 I C 2.465 178.504 176.117 -0.130 0.000 1.078 394 I CA 0.688 61.798 61.300 -0.317 0.000 1.343 394 I CB -0.140 37.663 38.000 -0.329 0.000 1.046 394 I HN -0.120 nan 8.210 nan 0.000 0.405 395 V N 0.848 120.746 119.914 -0.027 0.000 2.295 395 V HA -0.218 3.902 4.120 -0.001 0.000 0.246 395 V C 2.543 178.644 176.094 0.011 0.000 1.049 395 V CA 2.219 64.542 62.300 0.039 0.000 1.024 395 V CB -1.450 30.475 31.823 0.170 0.000 0.648 395 V HN 0.586 nan 8.190 nan 0.000 0.447 396 G N -0.450 108.396 108.800 0.076 0.000 2.402 396 G HA2 -0.224 3.736 3.960 -0.001 0.000 0.216 396 G HA3 -0.224 3.736 3.960 -0.001 0.000 0.216 396 G C 1.234 176.116 174.900 -0.030 0.000 1.162 396 G CA 0.982 46.130 45.100 0.080 0.000 0.777 396 G HN 0.496 nan 8.290 nan 0.000 0.539 397 D N -0.121 120.249 120.400 -0.050 0.000 2.084 397 D HA -0.097 4.543 4.640 -0.001 0.000 0.194 397 D C 2.108 178.129 176.300 -0.465 0.000 0.990 397 D CA 1.387 55.325 54.000 -0.105 0.000 0.826 397 D CB -0.560 40.325 40.800 0.141 0.000 0.971 397 D HN 0.406 nan 8.370 nan 0.000 0.453 398 H N 0.991 119.463 119.070 -0.996 0.000 2.321 398 H HA -0.002 4.554 4.556 -0.001 0.000 0.300 398 H C 1.523 176.501 175.328 -0.583 0.000 1.087 398 H CA 1.817 57.121 56.048 -1.241 0.000 1.319 398 H CB -0.036 28.832 29.762 -1.490 0.000 1.379 398 H HN 0.004 nan 8.280 nan 0.000 0.501 399 N N -0.764 117.505 118.700 -0.719 0.000 2.395 399 N HA -0.018 4.722 4.740 -0.001 0.000 0.175 399 N C 1.189 176.525 175.510 -0.290 0.000 1.029 399 N CA 1.177 53.801 53.050 -0.709 0.000 0.897 399 N CB 0.955 38.695 38.487 -1.246 0.000 0.991 399 N HN 0.299 nan 8.380 nan 0.000 0.441 400 V N 0.173 119.991 119.914 -0.161 0.000 3.279 400 V HA 0.152 4.272 4.120 -0.001 0.000 0.213 400 V C 2.022 178.110 176.094 -0.011 0.000 1.335 400 V CA -0.082 62.231 62.300 0.021 0.000 1.317 400 V CB 0.226 32.127 31.823 0.129 0.000 1.209 400 V HN -0.059 nan 8.190 nan 0.000 0.525 401 I N 0.620 121.185 120.570 -0.007 0.000 2.113 401 I HA -0.280 3.890 4.170 -0.001 0.000 0.238 401 I C 2.557 178.690 176.117 0.028 0.000 1.070 401 I CA 1.980 63.295 61.300 0.025 0.000 1.332 401 I CB -0.476 37.572 38.000 0.081 0.000 1.044 401 I HN 0.378 nan 8.210 nan 0.000 0.402 402 c N 0.704 119.318 118.600 0.023 0.000 2.440 402 c HA -0.039 4.531 4.570 -0.001 0.000 0.278 402 c C 0.241 174.372 174.090 0.069 0.000 1.295 402 c CA 0.697 57.080 56.329 0.089 0.000 1.738 402 c CB -1.838 40.772 42.510 0.166 0.000 1.987 402 c HN 0.371 nan 8.230 nan 0.000 0.492 403 P HA -0.083 nan 4.420 nan 0.000 0.216 403 P C 1.769 179.105 177.300 0.059 0.000 1.153 403 P CA 1.046 64.131 63.100 -0.025 0.000 0.844 403 P CB -0.202 31.395 31.700 -0.172 0.000 0.787 404 L N -1.791 119.445 121.223 0.022 0.000 2.056 404 L HA -0.139 4.201 4.340 -0.001 0.000 0.207 404 L C 2.085 179.005 176.870 0.083 0.000 1.078 404 L CA 1.638 56.508 54.840 0.051 0.000 0.749 404 L CB -0.533 41.521 42.059 -0.008 0.000 0.901 404 L HN -0.111 nan 8.230 nan 0.000 0.433 405 M N -0.885 118.750 119.600 0.059 0.000 2.159 405 M HA -0.232 4.247 4.480 -0.001 0.000 0.263 405 M C 2.250 178.612 176.300 0.104 0.000 1.063 405 M CA 1.697 57.026 55.300 0.049 0.000 1.110 405 M CB -1.610 31.036 32.600 0.078 0.000 1.374 405 M HN 0.439 nan 8.290 nan 0.000 0.411 406 H N -0.194 118.916 119.070 0.067 0.000 2.321 406 H HA -0.179 4.376 4.556 -0.001 0.000 0.300 406 H C 1.847 177.221 175.328 0.076 0.000 1.087 406 H CA 2.081 58.174 56.048 0.076 0.000 1.319 406 H CB -0.362 29.443 29.762 0.073 0.000 1.379 406 H HN 0.245 nan 8.280 nan 0.000 0.501 407 F N 0.131 120.049 119.950 -0.054 0.000 2.102 407 F HA -0.169 4.358 4.527 -0.001 0.000 0.298 407 F C 2.494 178.205 175.800 -0.147 0.000 1.105 407 F CA 1.525 59.442 58.000 -0.139 0.000 1.239 407 F CB -0.913 38.014 39.000 -0.122 0.000 0.991 407 F HN 0.151 nan 8.300 nan 0.000 0.474 408 V N 1.022 120.792 119.914 -0.241 0.000 2.427 408 V HA -0.253 3.867 4.120 -0.001 0.000 0.248 408 V C 2.192 178.106 176.094 -0.300 0.000 1.051 408 V CA 2.490 64.536 62.300 -0.423 0.000 1.048 408 V CB -0.678 30.834 31.823 -0.518 0.000 0.666 408 V HN 0.449 nan 8.190 nan 0.000 0.456 409 N N 0.075 118.689 118.700 -0.144 0.000 2.188 409 N HA -0.112 4.627 4.740 -0.001 0.000 0.184 409 N C 1.799 177.281 175.510 -0.047 0.000 1.018 409 N CA 1.237 54.310 53.050 0.039 0.000 0.858 409 N CB -0.186 38.356 38.487 0.092 0.000 0.989 409 N HN 0.435 nan 8.380 nan 0.000 0.426 410 K N 0.399 120.678 120.400 -0.201 0.000 2.062 410 K HA -0.097 4.222 4.320 -0.001 0.000 0.205 410 K C 1.926 178.494 176.600 -0.053 0.000 1.051 410 K CA 0.612 56.814 56.287 -0.142 0.000 0.941 410 K CB -0.791 31.555 32.500 -0.255 0.000 0.719 410 K HN 0.291 nan 8.250 nan 0.000 0.440 411 Y N 2.336 122.351 120.300 -0.475 0.000 2.145 411 Y HA -0.214 4.335 4.550 -0.000 0.000 0.286 411 Y C 2.205 178.095 175.900 -0.016 0.000 1.145 411 Y CA 1.899 59.708 58.100 -0.486 0.000 1.148 411 Y CB -0.383 37.483 38.460 -0.990 0.000 0.981 411 Y HN 0.021 nan 8.280 nan 0.000 0.507 412 T N 0.519 115.115 114.554 0.069 0.000 2.849 412 T HA -0.245 4.104 4.350 -0.001 0.000 0.270 412 T C 1.816 176.540 174.700 0.041 0.000 1.066 412 T CA 1.705 63.882 62.100 0.128 0.000 1.130 412 T CB -0.299 68.738 68.868 0.281 0.000 0.864 412 T HN 0.337 nan 8.240 nan 0.000 0.481 413 K N -0.075 120.331 120.400 0.010 0.000 2.280 413 K HA -0.055 4.265 4.320 -0.001 0.000 0.202 413 K C 0.906 177.291 176.600 -0.358 0.000 1.047 413 K CA 1.295 57.477 56.287 -0.176 0.000 0.942 413 K CB -0.075 32.282 32.500 -0.238 0.000 0.739 413 K HN 0.396 nan 8.250 nan 0.000 0.457 414 F N -0.750 119.155 119.950 -0.075 0.000 2.831 414 F HA 0.303 4.830 4.527 -0.001 0.000 0.334 414 F C 1.258 176.943 175.800 -0.192 0.000 1.071 414 F CA -0.436 57.474 58.000 -0.149 0.000 1.172 414 F CB 0.502 39.339 39.000 -0.273 0.000 1.054 414 F HN -0.032 nan 8.300 nan 0.000 0.572 415 G N -0.002 108.745 108.800 -0.088 0.000 2.611 415 G HA2 -0.008 3.952 3.960 -0.001 0.000 0.273 415 G HA3 -0.008 3.952 3.960 -0.001 0.000 0.273 415 G C 0.315 175.258 174.900 0.071 0.000 1.305 415 G CA -0.339 44.697 45.100 -0.108 0.000 1.010 415 G HN 0.272 nan 8.290 nan 0.000 0.509 416 N N -0.552 118.245 118.700 0.161 0.000 2.234 416 N HA 0.291 5.031 4.740 -0.001 0.000 0.227 416 N C 0.280 175.876 175.510 0.142 0.000 1.151 416 N CA 0.453 53.576 53.050 0.122 0.000 0.865 416 N CB 0.365 38.915 38.487 0.105 0.000 1.066 416 N HN 0.877 nan 8.380 nan 0.000 0.515 417 G N 0.437 109.342 108.800 0.175 0.000 2.350 417 G HA2 0.013 3.973 3.960 -0.001 0.000 0.274 417 G HA3 0.013 3.973 3.960 -0.001 0.000 0.274 417 G C -1.296 173.695 174.900 0.152 0.000 1.621 417 G CA -0.768 44.407 45.100 0.126 0.000 0.935 417 G HN 0.020 nan 8.290 nan 0.000 0.694 418 T N 1.367 115.893 114.554 -0.047 0.000 2.876 418 T HA 0.710 5.060 4.350 -0.001 0.000 0.289 418 T C -1.324 173.165 174.700 -0.351 0.000 1.014 418 T CA -0.401 61.670 62.100 -0.048 0.000 0.986 418 T CB 1.492 70.383 68.868 0.039 0.000 1.021 418 T HN 0.454 nan 8.240 nan 0.000 0.458 419 Y N 1.733 121.946 120.300 -0.144 0.000 2.373 419 Y HA 0.664 5.214 4.550 -0.001 0.000 0.336 419 Y C -0.618 175.307 175.900 0.042 0.000 0.979 419 Y CA -1.145 56.809 58.100 -0.242 0.000 1.080 419 Y CB 1.587 39.467 38.460 -0.966 0.000 1.190 419 Y HN 0.423 nan 8.280 nan 0.000 0.446 420 L N 5.781 127.352 121.223 0.581 0.000 2.346 420 L HA 0.642 4.982 4.340 -0.001 0.000 0.276 420 L C -1.279 176.053 176.870 0.770 0.000 1.006 420 L CA -1.131 54.002 54.840 0.488 0.000 0.817 420 L CB 0.842 43.056 42.059 0.258 0.000 1.272 420 L HN 0.542 nan 8.230 nan 0.000 0.421 421 Y N 3.072 123.675 120.300 0.505 0.000 2.605 421 Y HA 0.750 5.300 4.550 -0.001 0.000 0.343 421 Y C -1.784 174.364 175.900 0.413 0.000 1.036 421 Y CA -2.063 56.273 58.100 0.393 0.000 1.065 421 Y CB 1.428 40.069 38.460 0.301 0.000 1.288 421 Y HN 0.531 nan 8.280 nan 0.000 0.481 422 F N 4.179 124.435 119.950 0.509 0.000 2.716 422 F HA 0.460 4.986 4.527 -0.001 0.000 0.354 422 F C -2.068 174.004 175.800 0.452 0.000 1.168 422 F CA -1.565 56.652 58.000 0.362 0.000 1.045 422 F CB 0.783 39.961 39.000 0.296 0.000 1.311 422 F HN 0.591 nan 8.300 nan 0.000 0.477 423 F N 8.153 128.139 119.950 0.060 0.000 2.421 423 F HA 0.324 4.851 4.527 -0.001 0.000 0.358 423 F C 0.145 175.807 175.800 -0.229 0.000 1.115 423 F CA -0.208 57.786 58.000 -0.011 0.000 1.160 423 F CB 0.615 39.659 39.000 0.073 0.000 1.123 423 F HN 0.549 nan 8.300 nan 0.000 0.508 424 N N 3.321 121.665 118.700 -0.594 0.000 2.466 424 N HA 0.056 4.795 4.740 -0.001 0.000 0.272 424 N C -0.865 174.417 175.510 -0.380 0.000 1.455 424 N CA -0.514 52.306 53.050 -0.383 0.000 0.875 424 N CB -0.919 37.537 38.487 -0.052 0.000 1.372 424 N HN 0.622 nan 8.380 nan 0.000 0.492 425 H N 1.334 119.878 119.070 -0.877 0.000 2.803 425 H HA 0.264 4.819 4.556 -0.001 0.000 0.330 425 H C 0.009 175.316 175.328 -0.036 0.000 1.057 425 H CA -0.012 55.753 56.048 -0.473 0.000 1.458 425 H CB 0.819 30.191 29.762 -0.650 0.000 1.470 425 H HN -0.020 nan 8.280 nan 0.000 0.560 426 R N 4.342 124.443 120.500 -0.665 0.000 2.272 426 R HA 0.282 4.622 4.340 -0.001 0.000 0.334 426 R C -0.580 175.395 176.300 -0.543 0.000 1.117 426 R CA -0.110 55.746 56.100 -0.407 0.000 0.966 426 R CB -0.581 29.593 30.300 -0.210 0.000 1.049 426 R HN 0.840 nan 8.270 nan 0.000 0.477 427 A N 2.912 125.637 122.820 -0.158 0.000 2.587 427 A HA -0.050 4.269 4.320 -0.001 0.000 0.233 427 A C 1.375 179.005 177.584 0.076 0.000 1.049 427 A CA 0.758 52.863 52.037 0.113 0.000 0.754 427 A CB 0.254 19.080 19.000 -0.290 0.000 0.977 427 A HN 0.898 nan 8.150 nan 0.000 0.509 428 S N 1.209 117.050 115.700 0.234 0.000 2.458 428 S HA -0.062 4.408 4.470 -0.001 0.000 0.223 428 S C 0.778 175.414 174.600 0.060 0.000 1.019 428 S CA 0.787 59.072 58.200 0.142 0.000 0.937 428 S CB -0.262 63.054 63.200 0.193 0.000 0.788 428 S HN 0.833 nan 8.310 nan 0.000 0.511 429 N N 1.744 120.472 118.700 0.047 0.000 3.105 429 N HA 0.290 5.029 4.740 -0.001 0.000 0.256 429 N C -0.839 174.638 175.510 -0.055 0.000 1.174 429 N CA -0.409 52.615 53.050 -0.044 0.000 1.030 429 N CB -0.348 38.046 38.487 -0.155 0.000 1.305 429 N HN 0.365 nan 8.380 nan 0.000 0.509 430 L N 1.874 123.071 121.223 -0.044 0.000 2.455 430 L HA 0.059 4.399 4.340 -0.001 0.000 0.272 430 L C 1.438 178.290 176.870 -0.031 0.000 1.174 430 L CA -0.189 54.624 54.840 -0.044 0.000 0.869 430 L CB 1.054 43.099 42.059 -0.025 0.000 1.130 430 L HN 0.369 nan 8.230 nan 0.000 0.474 431 V N 2.805 122.713 119.914 -0.010 0.000 3.151 431 V HA 0.167 4.286 4.120 -0.001 0.000 0.241 431 V C 0.418 176.541 176.094 0.048 0.000 1.173 431 V CA -0.209 62.066 62.300 -0.041 0.000 1.154 431 V CB 0.250 31.967 31.823 -0.176 0.000 0.898 431 V HN 0.631 nan 8.190 nan 0.000 0.473 432 W N 2.229 123.590 121.300 0.101 0.000 2.283 432 W HA 0.582 5.242 4.660 -0.001 0.000 0.341 432 W C -1.868 174.585 176.519 -0.109 0.000 1.206 432 W CA -2.018 55.371 57.345 0.074 0.000 1.294 432 W CB 0.015 29.479 29.460 0.008 0.000 1.154 432 W HN 0.075 nan 8.180 nan 0.000 0.613 433 P HA -0.133 nan 4.420 nan 0.000 0.269 433 P C 0.311 177.535 177.300 -0.128 0.000 1.211 433 P CA 0.404 63.464 63.100 -0.066 0.000 0.781 433 P CB 0.787 32.446 31.700 -0.069 0.000 0.877 434 E N 1.515 121.705 120.200 -0.017 0.000 2.150 434 E HA -0.136 4.214 4.350 -0.001 0.000 0.193 434 E C 1.690 178.315 176.600 0.042 0.000 0.985 434 E CA 0.877 57.285 56.400 0.012 0.000 0.814 434 E CB -0.281 29.458 29.700 0.065 0.000 0.752 434 E HN 0.624 nan 8.360 nan 0.000 0.466 435 W N 0.015 121.365 121.300 0.084 0.000 2.421 435 W HA -0.136 4.523 4.660 -0.001 0.000 0.270 435 W C 1.273 177.865 176.519 0.122 0.000 1.233 435 W CA 0.298 57.701 57.345 0.097 0.000 1.226 435 W CB -0.649 28.870 29.460 0.098 0.000 1.121 435 W HN 0.042 nan 8.180 nan 0.000 0.579 436 M N 1.370 120.621 119.600 -0.580 0.000 2.557 436 M HA 0.125 4.605 4.480 -0.001 0.000 0.259 436 M C 1.694 177.904 176.300 -0.149 0.000 1.086 436 M CA 1.510 56.483 55.300 -0.545 0.000 1.096 436 M CB -0.721 31.422 32.600 -0.761 0.000 1.424 436 M HN 0.149 nan 8.290 nan 0.000 0.488 437 G N 0.471 109.233 108.800 -0.063 0.000 2.564 437 G HA2 -0.285 3.675 3.960 -0.001 0.000 0.273 437 G HA3 -0.285 3.675 3.960 -0.001 0.000 0.273 437 G C -0.183 174.710 174.900 -0.011 0.000 1.242 437 G CA -0.284 44.817 45.100 0.001 0.000 0.951 437 G HN 0.196 nan 8.290 nan 0.000 0.564 438 V N 2.243 122.183 119.914 0.043 0.000 2.229 438 V HA 0.298 4.417 4.120 -0.001 0.000 0.245 438 V C 1.353 177.522 176.094 0.125 0.000 1.243 438 V CA 0.013 62.392 62.300 0.132 0.000 1.176 438 V CB -0.707 31.200 31.823 0.141 0.000 1.323 438 V HN 0.511 nan 8.190 nan 0.000 0.499 439 I N 1.997 122.608 120.570 0.070 0.000 2.993 439 I HA 0.083 4.253 4.170 -0.001 0.000 0.286 439 I C 1.091 177.256 176.117 0.080 0.000 1.215 439 I CA -0.435 60.871 61.300 0.010 0.000 1.393 439 I CB 0.172 38.092 38.000 -0.135 0.000 1.371 439 I HN 0.499 nan 8.210 nan 0.000 0.602 440 H N 2.253 121.271 119.070 -0.086 0.000 3.092 440 H HA 0.023 4.579 4.556 -0.001 0.000 0.332 440 H C 1.225 176.509 175.328 -0.075 0.000 1.029 440 H CA 1.831 57.811 56.048 -0.113 0.000 1.376 440 H CB 0.256 29.818 29.762 -0.333 0.000 1.329 440 H HN 0.843 nan 8.280 nan 0.000 0.598 441 G N 2.214 111.118 108.800 0.174 0.000 2.220 441 G HA2 -0.437 3.523 3.960 -0.001 0.000 0.269 441 G HA3 -0.437 3.523 3.960 -0.001 0.000 0.269 441 G C 1.080 176.218 174.900 0.398 0.000 0.977 441 G CA 0.842 46.108 45.100 0.276 0.000 0.634 441 G HN 0.717 nan 8.290 nan 0.000 0.539 442 Y N 2.401 122.831 120.300 0.216 0.000 2.274 442 Y HA -0.072 4.478 4.550 -0.001 0.000 0.290 442 Y C 2.593 178.624 175.900 0.219 0.000 1.145 442 Y CA 2.062 60.342 58.100 0.299 0.000 1.203 442 Y CB -0.077 38.606 38.460 0.373 0.000 0.984 442 Y HN 0.517 nan 8.280 nan 0.000 0.533 443 E N 0.507 120.519 120.200 -0.313 0.000 2.204 443 E HA -0.194 4.155 4.350 -0.001 0.000 0.194 443 E C 2.074 178.562 176.600 -0.187 0.000 0.989 443 E CA 1.511 57.394 56.400 -0.862 0.000 0.824 443 E CB -0.934 27.944 29.700 -1.369 0.000 0.756 443 E HN 0.648 nan 8.360 nan 0.000 0.477 444 I N 1.294 121.908 120.570 0.074 0.000 2.264 444 I HA -0.274 3.896 4.170 -0.001 0.000 0.248 444 I C 2.442 178.646 176.117 0.144 0.000 1.111 444 I CA 1.648 63.069 61.300 0.202 0.000 1.382 444 I CB -0.340 37.866 38.000 0.343 0.000 1.060 444 I HN 0.115 nan 8.210 nan 0.000 0.418 445 E N 0.434 120.689 120.200 0.092 0.000 2.097 445 E HA -0.234 4.116 4.350 -0.001 0.000 0.196 445 E C 2.057 178.466 176.600 -0.319 0.000 1.000 445 E CA 1.588 57.931 56.400 -0.095 0.000 0.804 445 E CB -0.127 29.534 29.700 -0.064 0.000 0.740 445 E HN 0.434 nan 8.360 nan 0.000 0.454 446 F N -0.401 119.363 119.950 -0.311 0.000 2.270 446 F HA -0.081 4.446 4.527 -0.001 0.000 0.295 446 F C 2.224 177.796 175.800 -0.380 0.000 1.087 446 F CA 0.361 58.142 58.000 -0.365 0.000 1.365 446 F CB -0.588 38.197 39.000 -0.358 0.000 1.056 446 F HN -0.135 nan 8.300 nan 0.000 0.506 447 V N -0.786 118.999 119.914 -0.214 0.000 2.407 447 V HA -0.280 3.840 4.120 -0.001 0.000 0.248 447 V C 1.769 177.620 176.094 -0.405 0.000 1.055 447 V CA 1.665 63.697 62.300 -0.447 0.000 1.049 447 V CB -0.687 30.902 31.823 -0.390 0.000 0.662 447 V HN 0.210 nan 8.190 nan 0.000 0.455 448 F N 0.386 120.204 119.950 -0.220 0.000 2.797 448 F HA 0.394 4.921 4.527 -0.001 0.000 0.302 448 F C 1.798 177.513 175.800 -0.140 0.000 1.130 448 F CA 0.600 58.500 58.000 -0.166 0.000 1.387 448 F CB -0.319 38.570 39.000 -0.185 0.000 1.107 448 F HN 0.259 nan 8.300 nan 0.000 0.577 449 G N 0.496 109.200 108.800 -0.159 0.000 2.198 449 G HA2 -0.281 3.679 3.960 -0.001 0.000 0.260 449 G HA3 -0.281 3.679 3.960 -0.001 0.000 0.260 449 G C 1.150 175.766 174.900 -0.473 0.000 1.025 449 G CA 0.374 45.316 45.100 -0.263 0.000 0.769 449 G HN 0.327 nan 8.290 nan 0.000 0.507 450 L N -0.647 120.267 121.223 -0.514 0.000 2.127 450 L HA -0.067 4.272 4.340 -0.001 0.000 0.211 450 L C 0.169 176.613 176.870 -0.709 0.000 1.089 450 L CA 2.244 56.730 54.840 -0.591 0.000 0.757 450 L CB -1.643 40.203 42.059 -0.355 0.000 0.899 450 L HN 0.213 nan 8.230 nan 0.000 0.434 451 P HA -0.105 nan 4.420 nan 0.000 0.228 451 P C 1.849 178.909 177.300 -0.399 0.000 1.151 451 P CA 0.857 63.388 63.100 -0.948 0.000 0.770 451 P CB 0.093 31.141 31.700 -1.087 0.000 0.786 452 L N -1.386 119.594 121.223 -0.405 0.000 2.478 452 L HA 0.031 4.370 4.340 -0.001 0.000 0.223 452 L C 1.080 177.808 176.870 -0.237 0.000 1.140 452 L CA 0.368 55.051 54.840 -0.262 0.000 0.842 452 L CB -0.494 41.436 42.059 -0.215 0.000 0.953 452 L HN -0.061 nan 8.230 nan 0.000 0.452 453 V N -0.931 118.799 119.914 -0.307 0.000 2.364 453 V HA 0.203 4.322 4.120 -0.001 0.000 0.272 453 V C 1.336 177.376 176.094 -0.089 0.000 1.036 453 V CA -0.676 61.500 62.300 -0.208 0.000 0.880 453 V CB 1.432 33.088 31.823 -0.278 0.000 0.991 453 V HN 0.087 nan 8.190 nan 0.000 0.460 454 K N 4.147 124.510 120.400 -0.061 0.000 2.044 454 K HA -0.181 4.138 4.320 -0.001 0.000 0.210 454 K C 1.635 178.214 176.600 -0.034 0.000 1.049 454 K CA 2.140 58.407 56.287 -0.034 0.000 0.927 454 K CB -0.253 32.228 32.500 -0.031 0.000 0.713 454 K HN 0.920 nan 8.250 nan 0.000 0.443 455 E N 0.837 121.012 120.200 -0.043 0.000 2.393 455 E HA -0.117 4.233 4.350 -0.001 0.000 0.201 455 E C 1.701 178.262 176.600 -0.064 0.000 1.025 455 E CA 0.537 56.908 56.400 -0.049 0.000 0.856 455 E CB -0.311 29.362 29.700 -0.045 0.000 0.771 455 E HN 0.277 nan 8.360 nan 0.000 0.526 456 L N -0.164 121.025 121.223 -0.055 0.000 2.529 456 L HA 0.129 4.468 4.340 -0.001 0.000 0.223 456 L C -0.328 176.412 176.870 -0.217 0.000 1.113 456 L CA -0.015 54.767 54.840 -0.098 0.000 0.861 456 L CB -0.538 41.540 42.059 0.032 0.000 1.012 456 L HN 0.163 nan 8.230 nan 0.000 0.461 457 N N -0.782 117.848 118.700 -0.116 0.000 2.725 457 N HA -0.210 4.530 4.740 -0.001 0.000 0.256 457 N C -1.023 174.360 175.510 -0.212 0.000 1.087 457 N CA 0.094 53.059 53.050 -0.142 0.000 0.690 457 N CB -1.192 37.190 38.487 -0.175 0.000 0.891 457 N HN 0.230 nan 8.380 nan 0.000 0.553 458 Y N -0.164 120.107 120.300 -0.049 0.000 2.621 458 Y HA 0.482 5.032 4.550 -0.001 0.000 0.334 458 Y C 1.374 177.275 175.900 0.001 0.000 1.074 458 Y CA -0.506 57.582 58.100 -0.019 0.000 1.149 458 Y CB 1.080 39.485 38.460 -0.092 0.000 1.302 458 Y HN 0.142 nan 8.280 nan 0.000 0.501 459 T N -1.801 112.879 114.554 0.211 0.000 2.788 459 T HA 0.399 4.748 4.350 -0.001 0.000 0.287 459 T C 1.170 175.929 174.700 0.098 0.000 1.007 459 T CA -0.137 62.041 62.100 0.131 0.000 1.005 459 T CB 1.175 70.129 68.868 0.143 0.000 1.012 459 T HN 0.779 nan 8.240 nan 0.000 0.530 460 A N 1.134 123.989 122.820 0.059 0.000 1.902 460 A HA -0.089 4.230 4.320 -0.001 0.000 0.217 460 A C 2.322 179.919 177.584 0.022 0.000 1.181 460 A CA 1.344 53.398 52.037 0.029 0.000 0.623 460 A CB -0.771 18.241 19.000 0.020 0.000 0.818 460 A HN 0.944 nan 8.150 nan 0.000 0.443 461 E N 0.695 120.915 120.200 0.034 0.000 2.204 461 E HA -0.206 4.143 4.350 -0.001 0.000 0.194 461 E C 1.451 178.048 176.600 -0.004 0.000 0.989 461 E CA 1.315 57.722 56.400 0.011 0.000 0.824 461 E CB -0.603 29.108 29.700 0.018 0.000 0.756 461 E HN 0.793 nan 8.360 nan 0.000 0.477 462 E N 0.999 121.229 120.200 0.050 0.000 2.107 462 E HA -0.141 4.209 4.350 -0.001 0.000 0.191 462 E C 2.077 178.685 176.600 0.013 0.000 0.982 462 E CA 0.815 57.286 56.400 0.118 0.000 0.809 462 E CB -0.014 29.850 29.700 0.273 0.000 0.756 462 E HN 0.389 nan 8.360 nan 0.000 0.459 463 E N 0.681 120.855 120.200 -0.044 0.000 2.106 463 E HA -0.183 4.166 4.350 -0.001 0.000 0.192 463 E C 1.994 178.547 176.600 -0.078 0.000 0.984 463 E CA 0.916 57.250 56.400 -0.110 0.000 0.806 463 E CB -0.008 29.645 29.700 -0.079 0.000 0.750 463 E HN 0.203 nan 8.360 nan 0.000 0.458 464 A N 0.996 123.788 122.820 -0.045 0.000 1.930 464 A HA -0.138 4.181 4.320 -0.001 0.000 0.217 464 A C 2.099 179.651 177.584 -0.054 0.000 1.175 464 A CA 1.096 53.103 52.037 -0.050 0.000 0.627 464 A CB -0.532 18.446 19.000 -0.037 0.000 0.815 464 A HN 0.376 nan 8.150 nan 0.000 0.443 465 L N -0.274 120.933 121.223 -0.027 0.000 2.056 465 L HA -0.076 4.264 4.340 -0.001 0.000 0.207 465 L C 2.545 179.433 176.870 0.030 0.000 1.078 465 L CA 2.559 57.386 54.840 -0.023 0.000 0.749 465 L CB -0.804 41.209 42.059 -0.076 0.000 0.901 465 L HN 0.326 nan 8.230 nan 0.000 0.433 466 S N -0.629 115.133 115.700 0.102 0.000 2.370 466 S HA -0.227 4.243 4.470 -0.001 0.000 0.226 466 S C 2.213 176.750 174.600 -0.106 0.000 1.033 466 S CA 1.508 59.704 58.200 -0.007 0.000 1.011 466 S CB -0.248 62.816 63.200 -0.228 0.000 0.852 466 S HN 0.548 nan 8.310 nan 0.000 0.457 467 R N 0.128 120.565 120.500 -0.105 0.000 2.092 467 R HA 0.072 4.412 4.340 -0.001 0.000 0.231 467 R C 2.731 178.958 176.300 -0.121 0.000 1.119 467 R CA 1.413 57.450 56.100 -0.106 0.000 0.970 467 R CB -0.187 30.053 30.300 -0.100 0.000 0.864 467 R HN 0.396 nan 8.270 nan 0.000 0.440 468 R N 0.182 120.583 120.500 -0.165 0.000 2.073 468 R HA -0.018 4.321 4.340 -0.001 0.000 0.229 468 R C 2.250 178.321 176.300 -0.381 0.000 1.120 468 R CA 1.141 57.047 56.100 -0.324 0.000 0.967 468 R CB -0.248 29.830 30.300 -0.370 0.000 0.862 468 R HN 0.195 nan 8.270 nan 0.000 0.436 469 I N 0.667 121.114 120.570 -0.205 0.000 2.142 469 I HA -0.302 3.868 4.170 -0.001 0.000 0.240 469 I C 2.458 178.461 176.117 -0.190 0.000 1.078 469 I CA 1.432 62.625 61.300 -0.178 0.000 1.343 469 I CB -0.185 37.593 38.000 -0.371 0.000 1.046 469 I HN 0.186 nan 8.210 nan 0.000 0.405 470 M N -0.580 118.895 119.600 -0.208 0.000 2.149 470 M HA -0.281 4.198 4.480 -0.001 0.000 0.261 470 M C 2.387 178.712 176.300 0.042 0.000 1.064 470 M CA 1.803 57.022 55.300 -0.136 0.000 1.102 470 M CB -0.716 31.812 32.600 -0.120 0.000 1.369 470 M HN 0.299 nan 8.290 nan 0.000 0.408 471 H N -0.586 118.448 119.070 -0.060 0.000 2.436 471 H HA -0.102 4.453 4.556 -0.001 0.000 0.294 471 H C 1.504 176.922 175.328 0.151 0.000 1.048 471 H CA 1.654 57.698 56.048 -0.007 0.000 1.353 471 H CB 0.041 29.754 29.762 -0.081 0.000 1.414 471 H HN 0.263 nan 8.280 nan 0.000 0.536 472 Y N -0.784 119.636 120.300 0.200 0.000 2.145 472 Y HA -0.249 4.300 4.550 -0.001 0.000 0.286 472 Y C 2.510 178.601 175.900 0.318 0.000 1.145 472 Y CA 1.118 59.391 58.100 0.287 0.000 1.148 472 Y CB -1.080 37.752 38.460 0.621 0.000 0.981 472 Y HN 0.355 nan 8.280 nan 0.000 0.507 473 W N -0.566 120.817 121.300 0.139 0.000 2.358 473 W HA -0.223 4.436 4.660 -0.000 0.000 0.303 473 W C 2.545 179.055 176.519 -0.015 0.000 1.208 473 W CA 0.984 58.345 57.345 0.027 0.000 1.274 473 W CB -0.389 29.027 29.460 -0.073 0.000 1.138 473 W HN 0.058 nan 8.180 nan 0.000 0.515 474 A N -0.133 122.791 122.820 0.172 0.000 1.897 474 A HA -0.127 4.193 4.320 -0.001 0.000 0.215 474 A C 1.813 179.369 177.584 -0.046 0.000 1.181 474 A CA 2.014 54.065 52.037 0.023 0.000 0.620 474 A CB -1.125 17.878 19.000 0.005 0.000 0.821 474 A HN 0.166 nan 8.150 nan 0.000 0.443 475 T N -0.669 113.809 114.554 -0.127 0.000 2.821 475 T HA -0.096 4.254 4.350 -0.001 0.000 0.267 475 T C 1.593 176.237 174.700 -0.093 0.000 1.046 475 T CA 1.459 63.455 62.100 -0.174 0.000 1.139 475 T CB -0.380 68.314 68.868 -0.290 0.000 0.871 475 T HN 0.512 nan 8.240 nan 0.000 0.454 476 F N 2.357 122.197 119.950 -0.182 0.000 2.171 476 F HA 0.041 4.567 4.527 -0.001 0.000 0.300 476 F C 2.380 178.080 175.800 -0.166 0.000 1.090 476 F CA 0.918 58.772 58.000 -0.243 0.000 1.293 476 F CB -0.562 38.228 39.000 -0.349 0.000 1.013 476 F HN 0.133 nan 8.300 nan 0.000 0.486 477 A N 0.740 123.461 122.820 -0.165 0.000 1.902 477 A HA -0.195 4.124 4.320 -0.001 0.000 0.217 477 A C 2.258 179.690 177.584 -0.252 0.000 1.181 477 A CA 1.876 53.775 52.037 -0.230 0.000 0.623 477 A CB -0.677 18.279 19.000 -0.073 0.000 0.818 477 A HN 0.485 nan 8.150 nan 0.000 0.443 478 K N -1.043 119.252 120.400 -0.176 0.000 2.097 478 K HA -0.089 4.230 4.320 -0.001 0.000 0.205 478 K C 1.776 178.278 176.600 -0.164 0.000 1.050 478 K CA 1.749 57.955 56.287 -0.135 0.000 0.938 478 K CB -0.155 32.292 32.500 -0.088 0.000 0.718 478 K HN 0.724 nan 8.250 nan 0.000 0.442 479 T N -4.971 109.448 114.554 -0.225 0.000 2.986 479 T HA 0.254 4.604 4.350 -0.001 0.000 0.264 479 T C 1.208 175.755 174.700 -0.255 0.000 0.964 479 T CA 0.410 62.392 62.100 -0.198 0.000 0.895 479 T CB 1.101 69.890 68.868 -0.132 0.000 1.163 479 T HN 0.276 nan 8.240 nan 0.000 0.517 480 G N 1.484 109.987 108.800 -0.495 0.000 2.157 480 G HA2 -0.182 3.778 3.960 -0.001 0.000 0.239 480 G HA3 -0.182 3.778 3.960 -0.001 0.000 0.239 480 G C -0.203 174.594 174.900 -0.172 0.000 0.982 480 G CA 0.019 44.836 45.100 -0.471 0.000 0.650 480 G HN 0.853 nan 8.290 nan 0.000 0.527 481 N N -0.274 118.301 118.700 -0.208 0.000 2.478 481 N HA 0.424 5.164 4.740 -0.001 0.000 0.291 481 N C -1.689 173.654 175.510 -0.279 0.000 1.090 481 N CA -1.393 51.501 53.050 -0.261 0.000 0.911 481 N CB 2.447 40.882 38.487 -0.087 0.000 1.546 481 N HN -0.063 nan 8.380 nan 0.000 0.500 482 P HA -0.045 nan 4.420 nan 0.000 0.226 482 P C -0.487 176.840 177.300 0.045 0.000 1.153 482 P CA 0.631 63.599 63.100 -0.219 0.000 0.777 482 P CB 0.332 31.693 31.700 -0.565 0.000 0.794 483 N N 1.451 120.143 118.700 -0.014 0.000 2.518 483 N HA 0.094 4.833 4.740 -0.001 0.000 0.283 483 N C 0.261 175.819 175.510 0.080 0.000 1.119 483 N CA -0.210 52.917 53.050 0.128 0.000 0.983 483 N CB 0.890 39.457 38.487 0.133 0.000 1.139 483 N HN 0.013 nan 8.380 nan 0.000 0.465 484 E N 2.351 122.630 120.200 0.132 0.000 2.265 484 E HA 0.084 4.433 4.350 -0.001 0.000 0.272 484 E C -1.311 175.322 176.600 0.056 0.000 1.067 484 E CA -1.444 55.022 56.400 0.110 0.000 0.900 484 E CB 0.626 30.428 29.700 0.171 0.000 1.017 484 E HN 0.353 nan 8.360 nan 0.000 0.431 485 P HA -0.220 nan 4.420 nan 0.000 0.235 485 P C -0.385 176.775 177.300 -0.233 0.000 0.775 485 P CA 1.806 64.803 63.100 -0.172 0.000 1.099 485 P CB -0.047 31.564 31.700 -0.148 0.000 0.733 486 H N -1.971 117.136 119.070 0.062 0.000 2.628 486 H HA 0.556 5.112 4.556 -0.001 0.000 0.250 486 H C 0.266 175.632 175.328 0.064 0.000 1.442 486 H CA -0.392 55.692 56.048 0.059 0.000 1.282 486 H CB 0.144 29.934 29.762 0.046 0.000 1.487 486 H HN 0.014 nan 8.280 nan 0.000 0.544 487 S N 0.768 116.557 115.700 0.149 0.000 2.768 487 S HA 0.211 4.681 4.470 -0.001 0.000 0.300 487 S C 0.836 175.504 174.600 0.114 0.000 1.122 487 S CA -0.648 57.628 58.200 0.128 0.000 0.995 487 S CB 1.286 64.564 63.200 0.130 0.000 1.195 487 S HN 0.674 nan 8.310 nan 0.000 0.547 488 Q N -0.188 119.670 119.800 0.096 0.000 2.246 488 Q HA 0.226 4.565 4.340 -0.001 0.000 0.222 488 Q C -0.407 175.644 176.000 0.084 0.000 0.851 488 Q CA -0.094 55.758 55.803 0.082 0.000 0.945 488 Q CB 0.324 29.099 28.738 0.062 0.000 1.122 488 Q HN 0.585 nan 8.270 nan 0.000 0.508 489 E N 1.812 122.072 120.200 0.101 0.000 2.392 489 E HA 0.147 4.497 4.350 -0.001 0.000 0.256 489 E C -0.059 176.621 176.600 0.133 0.000 1.145 489 E CA -0.062 56.406 56.400 0.112 0.000 0.929 489 E CB 0.482 30.263 29.700 0.135 0.000 0.998 489 E HN -0.092 nan 8.360 nan 0.000 0.442 490 S N 1.334 117.114 115.700 0.133 0.000 2.552 490 S HA 0.014 4.483 4.470 -0.001 0.000 0.289 490 S C 0.461 175.176 174.600 0.191 0.000 1.304 490 S CA -0.065 58.215 58.200 0.133 0.000 1.063 490 S CB 0.472 63.738 63.200 0.109 0.000 0.848 490 S HN 0.191 nan 8.310 nan 0.000 0.499 491 K N 2.317 122.822 120.400 0.176 0.000 2.285 491 K HA 0.058 4.378 4.320 -0.001 0.000 0.286 491 K C -0.454 176.320 176.600 0.290 0.000 1.072 491 K CA -0.364 56.057 56.287 0.223 0.000 0.913 491 K CB 0.569 33.173 32.500 0.173 0.000 1.067 491 K HN 0.676 nan 8.250 nan 0.000 0.479 492 W N 8.084 129.451 121.300 0.113 0.000 2.565 492 W HA 0.079 4.739 4.660 -0.000 0.000 0.325 492 W C -2.272 174.368 176.519 0.201 0.000 1.408 492 W CA -2.203 55.203 57.345 0.103 0.000 1.350 492 W CB -0.058 29.384 29.460 -0.029 0.000 1.426 492 W HN 0.395 nan 8.180 nan 0.000 0.538 493 P HA 0.027 nan 4.420 nan 0.000 0.277 493 P C -0.422 177.031 177.300 0.254 0.000 1.240 493 P CA -0.600 62.708 63.100 0.346 0.000 0.798 493 P CB 1.448 33.270 31.700 0.203 0.000 0.979 494 L N 2.976 124.203 121.223 0.006 0.000 2.485 494 L HA 0.159 4.499 4.340 -0.001 0.000 0.275 494 L C -0.000 176.830 176.870 -0.066 0.000 1.207 494 L CA -0.162 54.476 54.840 -0.336 0.000 0.855 494 L CB -0.920 40.987 42.059 -0.254 0.000 1.114 494 L HN 0.257 nan 8.230 nan 0.000 0.485 495 F N 3.875 123.706 119.950 -0.198 0.000 2.411 495 F HA 0.513 5.039 4.527 -0.001 0.000 0.350 495 F C 0.214 175.985 175.800 -0.049 0.000 1.114 495 F CA -0.391 57.592 58.000 -0.028 0.000 1.135 495 F CB 0.712 39.729 39.000 0.028 0.000 1.120 495 F HN 0.621 nan 8.300 nan 0.000 0.495 496 T N 0.965 115.250 114.554 -0.447 0.000 2.912 496 T HA 0.222 4.571 4.350 -0.001 0.000 0.288 496 T C 1.002 175.426 174.700 -0.461 0.000 1.030 496 T CA -0.026 61.903 62.100 -0.285 0.000 1.020 496 T CB 1.404 70.167 68.868 -0.176 0.000 1.056 496 T HN 0.723 nan 8.240 nan 0.000 0.480 497 T N -0.372 114.072 114.554 -0.182 0.000 2.897 497 T HA -0.144 4.206 4.350 -0.001 0.000 0.271 497 T C 1.505 176.109 174.700 -0.159 0.000 1.084 497 T CA 1.496 63.523 62.100 -0.122 0.000 1.123 497 T CB -0.418 68.430 68.868 -0.032 0.000 0.865 497 T HN 0.710 nan 8.240 nan 0.000 0.496 498 K N 0.154 120.456 120.400 -0.162 0.000 2.044 498 K HA 0.029 4.349 4.320 -0.001 0.000 0.204 498 K C 2.237 178.750 176.600 -0.144 0.000 1.045 498 K CA 1.178 57.391 56.287 -0.123 0.000 0.951 498 K CB 0.071 32.516 32.500 -0.091 0.000 0.738 498 K HN 0.476 nan 8.250 nan 0.000 0.443 499 E N 0.473 120.561 120.200 -0.187 0.000 2.400 499 E HA -0.041 4.308 4.350 -0.001 0.000 0.195 499 E C -0.347 176.126 176.600 -0.210 0.000 1.012 499 E CA 0.009 56.316 56.400 -0.155 0.000 0.875 499 E CB 0.428 30.062 29.700 -0.110 0.000 0.859 499 E HN 0.290 nan 8.360 nan 0.000 0.498 500 Q N 1.335 120.840 119.800 -0.491 0.000 2.416 500 Q HA -0.209 4.131 4.340 -0.001 0.000 0.319 500 Q C -0.733 175.210 176.000 -0.094 0.000 1.318 500 Q CA 0.704 56.070 55.803 -0.729 0.000 0.915 500 Q CB -1.396 27.175 28.738 -0.279 0.000 1.184 500 Q HN 0.233 nan 8.270 nan 0.000 0.444 501 K N 0.538 120.920 120.400 -0.030 0.000 2.202 501 K HA 0.611 4.931 4.320 -0.001 0.000 0.264 501 K C 0.055 176.979 176.600 0.541 0.000 1.010 501 K CA -0.012 56.398 56.287 0.204 0.000 0.940 501 K CB 0.559 33.114 32.500 0.091 0.000 0.983 501 K HN 0.230 nan 8.250 nan 0.000 0.475 502 F N -0.666 119.463 119.950 0.298 0.000 2.745 502 F HA 0.620 5.147 4.527 -0.001 0.000 0.316 502 F C -1.094 174.836 175.800 0.217 0.000 1.155 502 F CA -1.506 56.702 58.000 0.347 0.000 0.937 502 F CB 0.805 40.009 39.000 0.340 0.000 1.361 502 F HN 0.423 nan 8.300 nan 0.000 0.472 503 I N -0.986 119.721 120.570 0.229 0.000 2.957 503 I HA 0.652 4.822 4.170 -0.001 0.000 0.310 503 I C -1.188 175.084 176.117 0.259 0.000 1.063 503 I CA -0.908 60.371 61.300 -0.035 0.000 1.033 503 I CB 1.985 39.747 38.000 -0.398 0.000 1.230 503 I HN 0.437 nan 8.210 nan 0.000 0.447 504 D N 2.583 123.115 120.400 0.221 0.000 2.283 504 D HA 0.498 5.138 4.640 -0.001 0.000 0.248 504 D C -0.986 175.399 176.300 0.142 0.000 1.072 504 D CA 0.061 54.266 54.000 0.341 0.000 0.929 504 D CB 2.115 43.108 40.800 0.322 0.000 1.182 504 D HN 0.258 nan 8.370 nan 0.000 0.433 505 L N 2.937 124.238 121.223 0.129 0.000 2.388 505 L HA 0.303 4.642 4.340 -0.001 0.000 0.267 505 L C -0.754 176.020 176.870 -0.159 0.000 0.995 505 L CA -0.401 54.455 54.840 0.026 0.000 0.864 505 L CB 0.188 42.335 42.059 0.147 0.000 1.216 505 L HN 0.491 nan 8.230 nan 0.000 0.430 506 N N -0.491 118.134 118.700 -0.126 0.000 3.364 506 N HA 0.294 5.034 4.740 -0.001 0.000 0.294 506 N C 0.323 175.760 175.510 -0.123 0.000 1.562 506 N CA -0.114 52.826 53.050 -0.185 0.000 0.862 506 N CB 0.365 38.805 38.487 -0.077 0.000 1.691 506 N HN 0.083 nan 8.380 nan 0.000 0.572 507 T N -3.451 111.043 114.554 -0.100 0.000 3.160 507 T HA 0.166 4.516 4.350 -0.001 0.000 0.257 507 T C -0.144 174.551 174.700 -0.009 0.000 1.147 507 T CA 0.465 62.518 62.100 -0.079 0.000 1.064 507 T CB -0.665 68.155 68.868 -0.079 0.000 0.949 507 T HN 0.538 nan 8.240 nan 0.000 0.526 508 E N 1.545 121.752 120.200 0.011 0.000 2.239 508 E HA 0.457 4.807 4.350 -0.001 0.000 0.261 508 E C -2.747 173.865 176.600 0.019 0.000 1.016 508 E CA -2.879 53.535 56.400 0.024 0.000 0.882 508 E CB 0.320 30.043 29.700 0.039 0.000 1.190 508 E HN 0.093 nan 8.360 nan 0.000 0.415 509 P HA -0.098 nan 4.420 nan 0.000 0.261 509 P C -0.469 176.838 177.300 0.012 0.000 1.183 509 P CA 0.405 63.516 63.100 0.018 0.000 0.761 509 P CB 0.300 32.009 31.700 0.015 0.000 0.785 510 M N 3.288 122.900 119.600 0.020 0.000 2.243 510 M HA -0.107 4.373 4.480 -0.001 0.000 0.365 510 M C 0.076 176.347 176.300 -0.049 0.000 1.327 510 M CA 1.006 56.305 55.300 -0.000 0.000 0.918 510 M CB 0.027 32.644 32.600 0.028 0.000 1.894 510 M HN 0.162 nan 8.290 nan 0.000 0.473 511 K N 4.129 124.469 120.400 -0.100 0.000 2.426 511 K HA 0.538 4.858 4.320 -0.001 0.000 0.254 511 K C -1.794 174.546 176.600 -0.432 0.000 0.936 511 K CA -0.742 55.402 56.287 -0.239 0.000 0.801 511 K CB 1.825 34.204 32.500 -0.201 0.000 1.139 511 K HN 0.554 nan 8.250 nan 0.000 0.424 512 V N 5.456 125.095 119.914 -0.458 0.000 2.439 512 V HA 0.391 4.511 4.120 -0.001 0.000 0.282 512 V C -0.071 175.599 176.094 -0.707 0.000 1.039 512 V CA -0.451 61.580 62.300 -0.449 0.000 0.913 512 V CB 1.022 32.722 31.823 -0.205 0.000 0.983 512 V HN 0.808 nan 8.190 nan 0.000 0.460 513 H N 3.312 122.014 119.070 -0.613 0.000 2.927 513 H HA 0.671 5.227 4.556 -0.001 0.000 0.316 513 H C -1.068 173.963 175.328 -0.496 0.000 1.403 513 H CA -0.874 54.795 56.048 -0.632 0.000 1.288 513 H CB 2.273 31.479 29.762 -0.928 0.000 1.944 513 H HN 0.550 nan 8.280 nan 0.000 0.629 514 Q N -0.070 119.748 119.800 0.030 0.000 2.456 514 Q HA 0.363 4.702 4.340 -0.001 0.000 0.283 514 Q C -0.730 175.505 176.000 0.392 0.000 1.084 514 Q CA -0.997 54.943 55.803 0.228 0.000 0.801 514 Q CB 2.868 31.663 28.738 0.094 0.000 1.434 514 Q HN 0.455 nan 8.270 nan 0.000 0.419 515 R N 0.933 121.643 120.500 0.350 0.000 3.127 515 R HA -0.200 4.140 4.340 -0.001 0.000 0.247 515 R C -0.483 175.959 176.300 0.236 0.000 0.896 515 R CA -0.132 56.123 56.100 0.260 0.000 0.624 515 R CB -1.323 29.073 30.300 0.160 0.000 1.154 515 R HN 0.409 nan 8.270 nan 0.000 0.474 516 L N 2.198 123.513 121.223 0.152 0.000 2.737 516 L HA -0.071 4.269 4.340 -0.001 0.000 0.275 516 L C 0.810 177.640 176.870 -0.068 0.000 1.179 516 L CA 0.930 55.624 54.840 -0.243 0.000 0.970 516 L CB -0.516 41.040 42.059 -0.838 0.000 1.268 516 L HN 0.522 nan 8.230 nan 0.000 0.485 517 R N 2.100 122.579 120.500 -0.035 0.000 3.502 517 R HA -0.198 4.141 4.340 -0.001 0.000 0.266 517 R C 1.277 177.642 176.300 0.108 0.000 1.077 517 R CA 0.635 56.763 56.100 0.047 0.000 0.718 517 R CB -2.143 28.202 30.300 0.076 0.000 1.120 517 R HN 0.752 nan 8.270 nan 0.000 0.457 518 V N -2.646 117.330 119.914 0.104 0.000 2.282 518 V HA -0.354 3.766 4.120 -0.001 0.000 0.249 518 V C 2.330 178.501 176.094 0.129 0.000 1.057 518 V CA 2.206 64.581 62.300 0.124 0.000 1.032 518 V CB -0.519 31.369 31.823 0.108 0.000 0.645 518 V HN 0.294 nan 8.190 nan 0.000 0.447 519 Q N -0.114 119.744 119.800 0.096 0.000 2.062 519 Q HA -0.208 4.132 4.340 -0.001 0.000 0.209 519 Q C 2.171 178.237 176.000 0.110 0.000 0.996 519 Q CA 2.426 58.272 55.803 0.071 0.000 0.859 519 Q CB -0.416 28.335 28.738 0.022 0.000 0.920 519 Q HN 0.567 nan 8.270 nan 0.000 0.415 520 M N -1.278 118.415 119.600 0.155 0.000 2.200 520 M HA -0.107 4.372 4.480 -0.001 0.000 0.265 520 M C 2.372 178.958 176.300 0.477 0.000 1.066 520 M CA 0.885 56.356 55.300 0.285 0.000 1.127 520 M CB -1.170 31.672 32.600 0.403 0.000 1.379 520 M HN 0.316 nan 8.290 nan 0.000 0.420 521 c N -0.274 118.557 118.600 0.385 0.000 2.448 521 c HA -0.013 4.557 4.570 -0.001 0.000 0.280 521 c C 2.928 177.208 174.090 0.317 0.000 1.398 521 c CA 0.196 56.763 56.329 0.397 0.000 1.774 521 c CB -0.919 41.756 42.510 0.275 0.000 1.888 521 c HN 0.312 nan 8.230 nan 0.000 0.519 522 V N 0.449 120.513 119.914 0.250 0.000 2.453 522 V HA -0.183 3.936 4.120 -0.001 0.000 0.247 522 V C 2.020 178.244 176.094 0.216 0.000 1.048 522 V CA 1.945 64.364 62.300 0.198 0.000 1.049 522 V CB -0.738 31.175 31.823 0.149 0.000 0.672 522 V HN 0.570 nan 8.190 nan 0.000 0.457 523 F N 0.175 120.175 119.950 0.083 0.000 2.075 523 F HA -0.202 4.325 4.527 -0.000 0.000 0.297 523 F C 1.973 177.773 175.800 -0.001 0.000 1.113 523 F CA 1.855 59.858 58.000 0.005 0.000 1.218 523 F CB -0.434 38.452 39.000 -0.190 0.000 0.984 523 F HN 0.178 nan 8.300 nan 0.000 0.472 524 W N 0.500 121.890 121.300 0.149 0.000 2.436 524 W HA -0.084 4.576 4.660 -0.001 0.000 0.284 524 W C 1.990 178.488 176.519 -0.036 0.000 1.225 524 W CA 0.806 58.162 57.345 0.018 0.000 1.271 524 W CB -0.482 29.119 29.460 0.236 0.000 1.114 524 W HN -0.004 nan 8.180 nan 0.000 0.559 525 N N -0.763 118.067 118.700 0.217 0.000 2.388 525 N HA -0.012 4.727 4.740 -0.001 0.000 0.176 525 N C 1.338 176.859 175.510 0.018 0.000 1.062 525 N CA 0.824 53.921 53.050 0.079 0.000 0.895 525 N CB 0.055 38.610 38.487 0.113 0.000 1.018 525 N HN 0.193 nan 8.380 nan 0.000 0.456 526 Q N -0.971 118.853 119.800 0.039 0.000 2.644 526 Q HA 0.315 4.655 4.340 -0.001 0.000 0.220 526 Q C 1.355 177.344 176.000 -0.019 0.000 0.866 526 Q CA 0.002 55.823 55.803 0.031 0.000 0.915 526 Q CB -0.292 28.503 28.738 0.094 0.000 1.191 526 Q HN 0.147 nan 8.270 nan 0.000 0.641 527 F N 0.744 120.604 119.950 -0.149 0.000 2.060 527 F HA -0.134 4.392 4.527 -0.001 0.000 0.295 527 F C 1.790 177.399 175.800 -0.318 0.000 1.120 527 F CA 1.048 58.930 58.000 -0.197 0.000 1.205 527 F CB -0.403 38.511 39.000 -0.143 0.000 0.986 527 F HN 0.170 nan 8.300 nan 0.000 0.470 528 L N 1.224 122.012 121.223 -0.725 0.000 2.013 528 L HA -0.118 4.222 4.340 -0.001 0.000 0.212 528 L C -0.871 175.721 176.870 -0.462 0.000 1.073 528 L CA 2.283 56.667 54.840 -0.760 0.000 0.753 528 L CB -1.969 39.549 42.059 -0.903 0.000 0.890 528 L HN 0.017 nan 8.230 nan 0.000 0.432 529 P HA -0.198 nan 4.420 nan 0.000 0.216 529 P C 1.520 178.691 177.300 -0.214 0.000 1.153 529 P CA 1.605 64.596 63.100 -0.182 0.000 0.848 529 P CB -0.052 31.578 31.700 -0.118 0.000 0.787 530 K N -0.355 119.885 120.400 -0.266 0.000 2.097 530 K HA -0.151 4.168 4.320 -0.001 0.000 0.206 530 K C 1.906 178.322 176.600 -0.306 0.000 1.049 530 K CA 1.067 57.210 56.287 -0.241 0.000 0.933 530 K CB -0.729 31.643 32.500 -0.214 0.000 0.717 530 K HN -0.048 nan 8.250 nan 0.000 0.442 531 L N 1.576 122.494 121.223 -0.508 0.000 2.017 531 L HA -0.134 4.206 4.340 -0.001 0.000 0.208 531 L C 1.788 178.507 176.870 -0.253 0.000 1.073 531 L CA 1.685 56.255 54.840 -0.449 0.000 0.745 531 L CB -1.106 40.544 42.059 -0.681 0.000 0.894 531 L HN 0.266 nan 8.230 nan 0.000 0.432 532 L N 0.245 121.331 121.223 -0.228 0.000 2.083 532 L HA -0.216 4.124 4.340 -0.001 0.000 0.209 532 L C 2.383 179.195 176.870 -0.098 0.000 1.083 532 L CA 1.637 56.396 54.840 -0.136 0.000 0.752 532 L CB -0.702 41.299 42.059 -0.097 0.000 0.899 532 L HN 0.456 nan 8.230 nan 0.000 0.433 533 N N 0.049 118.686 118.700 -0.105 0.000 2.270 533 N HA -0.114 4.625 4.740 -0.001 0.000 0.181 533 N C 1.743 177.212 175.510 -0.068 0.000 1.016 533 N CA 1.164 54.169 53.050 -0.075 0.000 0.870 533 N CB 0.091 38.534 38.487 -0.073 0.000 0.979 533 N HN 0.266 nan 8.380 nan 0.000 0.431 534 A N -0.299 122.469 122.820 -0.086 0.000 1.854 534 A HA 0.003 4.323 4.320 -0.001 0.000 0.214 534 A C 1.504 179.057 177.584 -0.052 0.000 1.192 534 A CA 1.558 53.556 52.037 -0.066 0.000 0.611 534 A CB -1.389 17.566 19.000 -0.075 0.000 0.832 534 A HN 0.529 nan 8.150 nan 0.000 0.442 535 T N 0.000 114.517 114.554 -0.061 0.000 3.816 535 T HA 0.000 4.350 4.350 -0.001 0.000 0.228 535 T CA 0.000 62.072 62.100 -0.046 0.000 1.349 535 T CB 0.000 68.837 68.868 -0.052 0.000 0.612 535 T HN 0.000 nan 8.240 nan 0.000 0.658