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 2v96_1_B 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 ATA 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 0.000 174.644 174.600 0.073 0.000 1.055 4 S CA 0.000 58.228 58.200 0.047 0.000 1.107 4 S CB 0.000 63.226 63.200 0.043 0.000 0.593 5 E N 1.497 121.746 120.200 0.083 0.000 2.153 5 E HA -0.083 4.267 4.350 -0.000 0.000 0.194 5 E C 1.294 178.018 176.600 0.207 0.000 0.988 5 E CA 1.345 57.823 56.400 0.130 0.000 0.811 5 E CB -0.100 29.668 29.700 0.113 0.000 0.746 5 E HN 0.657 nan 8.360 nan 0.000 0.466 6 L N 0.394 121.701 121.223 0.139 0.000 2.446 6 L HA 0.067 4.407 4.340 -0.000 0.000 0.219 6 L C 0.749 177.778 176.870 0.265 0.000 1.116 6 L CA -0.197 54.721 54.840 0.131 0.000 0.844 6 L CB 0.176 42.224 42.059 -0.017 0.000 0.970 6 L HN 0.073 nan 8.230 nan 0.000 0.457 7 L N 0.774 122.114 121.223 0.194 0.000 2.282 7 L HA 0.506 4.846 4.340 -0.000 0.000 0.288 7 L C -0.667 176.272 176.870 0.115 0.000 1.033 7 L CA -0.169 54.776 54.840 0.175 0.000 0.807 7 L CB 1.543 43.666 42.059 0.105 0.000 1.209 7 L HN -0.323 nan 8.230 nan 0.000 0.423 8 V N 4.785 124.754 119.914 0.092 0.000 2.638 8 V HA 0.455 4.575 4.120 -0.000 0.000 0.306 8 V C -0.596 175.433 176.094 -0.108 0.000 1.052 8 V CA -0.926 61.304 62.300 -0.116 0.000 0.885 8 V CB 1.995 33.530 31.823 -0.481 0.000 0.999 8 V HN 0.694 nan 8.190 nan 0.000 0.424 9 N N 3.405 121.974 118.700 -0.218 0.000 2.439 9 N HA 0.251 4.991 4.740 -0.000 0.000 0.243 9 N C 0.330 175.547 175.510 -0.489 0.000 1.088 9 N CA -0.081 52.802 53.050 -0.278 0.000 0.940 9 N CB 1.603 39.901 38.487 -0.314 0.000 1.180 9 N HN 0.898 nan 8.380 nan 0.000 0.505 10 T N -0.810 113.581 114.554 -0.272 0.000 2.862 10 T HA 0.267 4.616 4.350 -0.000 0.000 0.276 10 T C 1.462 175.956 174.700 -0.343 0.000 0.974 10 T CA -0.555 61.397 62.100 -0.247 0.000 0.966 10 T CB 1.486 70.463 68.868 0.182 0.000 1.072 10 T HN 0.102 nan 8.240 nan 0.000 0.538 11 K N 0.783 121.047 120.400 -0.226 0.000 2.020 11 K HA -0.060 4.260 4.320 -0.000 0.000 0.212 11 K C 2.397 178.867 176.600 -0.218 0.000 1.050 11 K CA 1.598 57.776 56.287 -0.181 0.000 0.929 11 K CB -0.975 31.484 32.500 -0.068 0.000 0.714 11 K HN 0.615 nan 8.250 nan 0.000 0.443 12 S N -0.228 115.337 115.700 -0.226 0.000 2.558 12 S HA 0.187 4.657 4.470 -0.000 0.000 0.217 12 S C 0.749 174.766 174.600 -0.972 0.000 0.975 12 S CA 0.354 58.321 58.200 -0.389 0.000 0.912 12 S CB 0.537 63.639 63.200 -0.164 0.000 0.776 12 S HN 0.551 nan 8.310 nan 0.000 0.526 13 G N 0.796 109.047 108.800 -0.915 0.000 2.336 13 G HA2 0.223 4.183 3.960 -0.000 0.000 0.300 13 G HA3 0.223 4.183 3.960 -0.000 0.000 0.300 13 G C -1.900 172.843 174.900 -0.262 0.000 1.375 13 G CA -1.144 43.281 45.100 -1.124 0.000 0.885 13 G HN 0.057 nan 8.290 nan 0.000 0.599 14 K N -0.281 120.179 120.400 0.100 0.000 2.298 14 K HA 0.560 4.880 4.320 -0.000 0.000 0.280 14 K C -0.493 176.495 176.600 0.647 0.000 1.032 14 K CA -0.424 56.054 56.287 0.319 0.000 0.958 14 K CB 1.937 34.575 32.500 0.230 0.000 0.978 14 K HN 0.261 nan 8.250 nan 0.000 0.472 15 V N 3.930 124.140 119.914 0.494 0.000 2.540 15 V HA 0.305 4.425 4.120 -0.000 0.000 0.302 15 V C -0.800 175.563 176.094 0.448 0.000 1.035 15 V CA -0.908 61.722 62.300 0.549 0.000 0.873 15 V CB 1.650 33.841 31.823 0.614 0.000 0.992 15 V HN 0.721 nan 8.190 nan 0.000 0.428 16 M N 5.104 124.933 119.600 0.382 0.000 2.043 16 M HA 0.741 5.220 4.480 -0.000 0.000 0.322 16 M C 0.141 176.542 176.300 0.169 0.000 0.962 16 M CA -0.087 55.366 55.300 0.254 0.000 0.927 16 M CB 0.752 33.447 32.600 0.157 0.000 1.466 16 M HN 0.671 nan 8.290 nan 0.000 0.412 17 G N 1.651 110.477 108.800 0.045 0.000 2.494 17 G HA2 0.585 4.545 3.960 -0.000 0.000 0.270 17 G HA3 0.585 4.545 3.960 -0.000 0.000 0.270 17 G C -0.984 173.723 174.900 -0.321 0.000 1.423 17 G CA -0.320 44.547 45.100 -0.389 0.000 1.055 17 G HN 0.685 nan 8.290 nan 0.000 0.536 18 T N -1.640 112.678 114.554 -0.393 0.000 2.916 18 T HA 0.501 4.851 4.350 -0.000 0.000 0.305 18 T C -0.559 174.026 174.700 -0.190 0.000 1.119 18 T CA -0.712 61.254 62.100 -0.224 0.000 1.008 18 T CB 1.404 70.173 68.868 -0.164 0.000 1.129 18 T HN 0.642 nan 8.240 nan 0.000 0.480 19 R N 3.091 123.527 120.500 -0.106 0.000 2.267 19 R HA 0.610 4.950 4.340 -0.000 0.000 0.319 19 R C -0.446 175.873 176.300 0.032 0.000 1.067 19 R CA -0.460 55.618 56.100 -0.037 0.000 0.936 19 R CB 0.179 30.446 30.300 -0.055 0.000 1.006 19 R HN 0.483 nan 8.270 nan 0.000 0.452 20 V N 2.541 122.503 119.914 0.081 0.000 2.680 20 V HA 0.713 4.833 4.120 -0.000 0.000 0.309 20 V C -2.521 173.606 176.094 0.056 0.000 1.052 20 V CA -2.758 59.587 62.300 0.075 0.000 0.908 20 V CB 1.698 33.542 31.823 0.034 0.000 1.001 20 V HN 0.798 nan 8.190 nan 0.000 0.431 21 P HA 0.400 nan 4.420 nan 0.000 0.279 21 P C -0.939 176.147 177.300 -0.357 0.000 1.239 21 P CA -0.184 62.653 63.100 -0.439 0.000 0.789 21 P CB 1.662 33.166 31.700 -0.326 0.000 0.933 22 V N 4.249 123.878 119.914 -0.474 0.000 2.577 22 V HA 0.145 4.265 4.120 -0.000 0.000 0.294 22 V C 0.507 176.325 176.094 -0.460 0.000 1.052 22 V CA -0.877 61.147 62.300 -0.460 0.000 0.891 22 V CB 1.075 32.541 31.823 -0.594 0.000 1.017 22 V HN 0.494 nan 8.190 nan 0.000 0.436 23 L N 4.395 125.499 121.223 -0.199 0.000 3.887 23 L HA -0.230 4.110 4.340 -0.000 0.000 0.546 23 L C 0.932 177.701 176.870 -0.168 0.000 1.196 23 L CA 0.663 55.438 54.840 -0.108 0.000 0.777 23 L CB -1.486 40.571 42.059 -0.004 0.000 1.346 23 L HN 1.336 nan 8.230 nan 0.000 0.810 24 S N -1.542 114.054 115.700 -0.173 0.000 3.524 24 S HA -0.150 4.319 4.470 -0.000 0.000 0.377 24 S C 0.079 174.568 174.600 -0.185 0.000 0.949 24 S CA 1.049 59.160 58.200 -0.149 0.000 1.264 24 S CB -1.006 62.159 63.200 -0.058 0.000 0.918 24 S HN 1.224 nan 8.310 nan 0.000 0.517 25 S N 0.296 115.775 115.700 -0.368 0.000 2.715 25 S HA 0.695 5.165 4.470 -0.000 0.000 0.284 25 S C -1.809 172.429 174.600 -0.602 0.000 1.216 25 S CA -0.509 57.502 58.200 -0.315 0.000 0.970 25 S CB 0.922 63.913 63.200 -0.349 0.000 1.273 25 S HN 0.787 nan 8.310 nan 0.000 0.509 26 H N 0.189 119.174 119.070 -0.142 0.000 3.037 26 H HA 0.712 5.268 4.556 -0.000 0.000 0.355 26 H C -0.887 174.434 175.328 -0.011 0.000 1.263 26 H CA -0.079 55.919 56.048 -0.084 0.000 1.129 26 H CB 1.617 31.360 29.762 -0.033 0.000 1.861 26 H HN 0.841 nan 8.280 nan 0.000 0.546 27 I N -1.822 118.835 120.570 0.145 0.000 3.093 27 I HA 0.523 4.693 4.170 -0.000 0.000 0.308 27 I C -0.896 175.318 176.117 0.161 0.000 1.303 27 I CA -0.816 60.595 61.300 0.185 0.000 0.975 27 I CB 2.404 40.539 38.000 0.226 0.000 1.286 27 I HN 0.314 nan 8.210 nan 0.000 0.459 28 S N 1.955 117.764 115.700 0.181 0.000 2.586 28 S HA 0.824 5.294 4.470 -0.000 0.000 0.274 28 S C -0.171 174.445 174.600 0.026 0.000 1.281 28 S CA -0.380 57.854 58.200 0.057 0.000 1.035 28 S CB 1.425 64.714 63.200 0.148 0.000 0.962 28 S HN 0.906 nan 8.310 nan 0.000 0.512 29 A N 1.979 124.620 122.820 -0.298 0.000 2.398 29 A HA 0.756 5.076 4.320 -0.000 0.000 0.301 29 A C -1.425 175.803 177.584 -0.593 0.000 1.041 29 A CA -0.666 51.148 52.037 -0.372 0.000 0.711 29 A CB 0.551 19.364 19.000 -0.312 0.000 1.240 29 A HN 0.622 nan 8.150 nan 0.000 0.420 30 F N 2.767 122.580 119.950 -0.228 0.000 2.430 30 F HA 0.518 5.045 4.527 -0.000 0.000 0.362 30 F C -0.189 175.472 175.800 -0.232 0.000 1.103 30 F CA -0.459 57.482 58.000 -0.098 0.000 1.045 30 F CB 1.335 40.382 39.000 0.077 0.000 1.276 30 F HN 0.364 nan 8.300 nan 0.000 0.444 31 L N 2.021 123.187 121.223 -0.095 0.000 2.331 31 L HA 0.727 5.067 4.340 -0.000 0.000 0.275 31 L C 1.005 177.881 176.870 0.010 0.000 1.022 31 L CA -1.060 53.712 54.840 -0.113 0.000 0.812 31 L CB 1.645 43.551 42.059 -0.255 0.000 1.257 31 L HN 0.832 nan 8.230 nan 0.000 0.435 32 G N 2.723 111.548 108.800 0.041 0.000 2.221 32 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.265 32 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.265 32 G C -0.048 174.894 174.900 0.069 0.000 1.041 32 G CA -0.225 44.887 45.100 0.020 0.000 0.807 32 G HN 0.473 nan 8.290 nan 0.000 0.502 33 I N 2.287 122.832 120.570 -0.042 0.000 2.416 33 I HA 0.233 4.403 4.170 -0.000 0.000 0.288 33 I C -1.439 174.470 176.117 -0.347 0.000 1.051 33 I CA -2.032 59.078 61.300 -0.316 0.000 1.375 33 I CB 1.205 39.016 38.000 -0.315 0.000 1.407 33 I HN -0.008 nan 8.210 nan 0.000 0.516 34 P HA 0.121 nan 4.420 nan 0.000 0.286 34 P C -0.362 176.564 177.300 -0.623 0.000 1.269 34 P CA -0.223 62.385 63.100 -0.820 0.000 0.787 34 P CB 0.782 31.916 31.700 -0.942 0.000 0.920 35 F N 0.938 120.560 119.950 -0.547 0.000 2.661 35 F HA 0.760 5.287 4.527 -0.000 0.000 0.306 35 F C 0.078 175.806 175.800 -0.119 0.000 1.094 35 F CA -1.032 56.751 58.000 -0.361 0.000 1.254 35 F CB 0.076 38.833 39.000 -0.405 0.000 1.040 35 F HN 0.377 nan 8.300 nan 0.000 0.562 36 A N -0.323 122.253 122.820 -0.408 0.000 2.601 36 A HA 0.533 4.853 4.320 -0.000 0.000 0.291 36 A C -1.020 176.403 177.584 -0.267 0.000 1.075 36 A CA -0.893 51.014 52.037 -0.216 0.000 0.671 36 A CB 0.853 19.745 19.000 -0.180 0.000 1.277 36 A HN 0.044 nan 8.150 nan 0.000 0.417 37 E N 0.807 120.935 120.200 -0.121 0.000 2.373 37 E HA 0.293 4.643 4.350 -0.000 0.000 0.267 37 E C -2.343 174.173 176.600 -0.140 0.000 1.032 37 E CA -1.369 54.975 56.400 -0.094 0.000 0.889 37 E CB 0.171 29.858 29.700 -0.022 0.000 0.984 37 E HN 0.237 nan 8.360 nan 0.000 0.425 38 P HA 0.009 nan 4.420 nan 0.000 0.260 38 P C -2.180 175.068 177.300 -0.087 0.000 1.207 38 P CA -0.689 62.343 63.100 -0.114 0.000 0.780 38 P CB -0.075 31.595 31.700 -0.050 0.000 0.789 39 P HA -0.032 nan 4.420 nan 0.000 0.235 39 P C -0.228 177.020 177.300 -0.085 0.000 1.720 39 P CA 0.341 63.392 63.100 -0.081 0.000 1.003 39 P CB -0.185 31.464 31.700 -0.086 0.000 1.968 40 V N -2.471 117.404 119.914 -0.066 0.000 3.103 40 V HA 0.908 5.028 4.120 -0.000 0.000 0.318 40 V C 0.869 176.938 176.094 -0.041 0.000 1.114 40 V CA 0.007 62.268 62.300 -0.064 0.000 1.020 40 V CB 0.869 32.659 31.823 -0.056 0.000 1.085 40 V HN 0.554 nan 8.190 nan 0.000 0.446 41 G N 2.812 111.589 108.800 -0.038 0.000 2.583 41 G HA2 -0.371 3.589 3.960 -0.000 0.000 0.292 41 G HA3 -0.371 3.589 3.960 -0.000 0.000 0.292 41 G C 0.373 175.265 174.900 -0.014 0.000 1.203 41 G CA 1.062 46.148 45.100 -0.024 0.000 0.987 41 G HN 2.091 nan 8.290 nan 0.000 0.554 42 N N 0.772 119.471 118.700 -0.000 0.000 2.626 42 N HA 0.145 4.885 4.740 -0.000 0.000 0.193 42 N C 1.815 177.345 175.510 0.033 0.000 1.213 42 N CA 1.740 54.802 53.050 0.020 0.000 0.914 42 N CB -0.054 38.449 38.487 0.026 0.000 0.994 42 N HN 0.586 nan 8.380 nan 0.000 0.447 43 M N -0.643 118.964 119.600 0.011 0.000 2.465 43 M HA 0.087 4.567 4.480 -0.000 0.000 0.249 43 M C 0.759 177.053 176.300 -0.011 0.000 1.130 43 M CA -0.230 55.074 55.300 0.008 0.000 1.067 43 M CB 0.233 32.827 32.600 -0.010 0.000 1.394 43 M HN 0.155 nan 8.290 nan 0.000 0.483 44 R N 0.786 121.256 120.500 -0.051 0.000 2.538 44 R HA -0.089 4.251 4.340 -0.000 0.000 0.282 44 R C -0.457 175.762 176.300 -0.136 0.000 1.009 44 R CA 0.842 56.815 56.100 -0.212 0.000 1.063 44 R CB 0.143 30.253 30.300 -0.316 0.000 0.945 44 R HN 0.245 nan 8.270 nan 0.000 0.414 45 F N -0.213 119.737 119.950 -0.002 0.000 2.502 45 F HA -0.284 4.243 4.527 -0.000 0.000 0.480 45 F C 0.362 176.138 175.800 -0.040 0.000 0.543 45 F CA 0.996 58.967 58.000 -0.048 0.000 1.350 45 F CB -1.188 37.773 39.000 -0.065 0.000 1.999 45 F HN 0.615 nan 8.300 nan 0.000 0.267 46 R N 1.487 122.056 120.500 0.115 0.000 2.532 46 R HA 0.590 4.930 4.340 -0.000 0.000 0.272 46 R C 0.473 176.796 176.300 0.039 0.000 1.032 46 R CA -1.034 55.111 56.100 0.075 0.000 1.089 46 R CB 0.644 30.982 30.300 0.063 0.000 1.098 46 R HN 0.093 nan 8.270 nan 0.000 0.526 47 R N 2.137 122.662 120.500 0.042 0.000 2.638 47 R HA 0.022 4.362 4.340 -0.000 0.000 0.268 47 R C -1.836 174.486 176.300 0.038 0.000 1.006 47 R CA -0.857 55.267 56.100 0.041 0.000 1.088 47 R CB -0.289 30.041 30.300 0.050 0.000 0.950 47 R HN 0.419 nan 8.270 nan 0.000 0.419 48 P HA 0.019 nan 4.420 nan 0.000 0.269 48 P C -0.802 176.530 177.300 0.053 0.000 1.215 48 P CA 0.060 63.189 63.100 0.048 0.000 0.780 48 P CB 0.841 32.597 31.700 0.093 0.000 0.898 49 E N 2.506 122.727 120.200 0.036 0.000 2.207 49 E HA 0.486 4.836 4.350 -0.000 0.000 0.270 49 E C -2.472 174.160 176.600 0.053 0.000 0.927 49 E CA -2.723 53.701 56.400 0.041 0.000 0.799 49 E CB 0.837 30.553 29.700 0.026 0.000 1.172 49 E HN 0.268 nan 8.360 nan 0.000 0.404 50 P HA 0.094 nan 4.420 nan 0.000 0.276 50 P C -1.314 176.039 177.300 0.089 0.000 1.230 50 P CA -0.410 62.753 63.100 0.105 0.000 0.776 50 P CB 0.523 32.288 31.700 0.108 0.000 0.888 51 K N 4.274 124.734 120.400 0.100 0.000 2.484 51 K HA 0.003 4.323 4.320 -0.000 0.000 0.280 51 K C 0.154 176.846 176.600 0.154 0.000 1.013 51 K CA 0.342 56.687 56.287 0.096 0.000 1.029 51 K CB 0.043 32.601 32.500 0.095 0.000 0.902 51 K HN 0.329 nan 8.250 nan 0.000 0.481 52 K N 4.690 125.181 120.400 0.151 0.000 2.144 52 K HA 0.350 4.670 4.320 -0.000 0.000 0.270 52 K C -2.309 174.419 176.600 0.214 0.000 1.005 52 K CA -2.007 54.367 56.287 0.145 0.000 0.932 52 K CB 0.288 32.855 32.500 0.112 0.000 1.021 52 K HN 0.361 nan 8.250 nan 0.000 0.462 53 P HA -0.098 nan 4.420 nan 0.000 0.267 53 P C -1.221 176.187 177.300 0.180 0.000 1.195 53 P CA 0.206 63.305 63.100 -0.002 0.000 0.773 53 P CB 0.129 31.771 31.700 -0.096 0.000 0.837 54 W N 0.241 121.623 121.300 0.138 0.000 2.962 54 W HA 0.724 5.384 4.660 -0.000 0.000 0.341 54 W C -1.060 175.537 176.519 0.130 0.000 1.155 54 W CA -0.712 56.731 57.345 0.164 0.000 1.165 54 W CB 0.261 29.895 29.460 0.289 0.000 1.435 54 W HN 0.121 nan 8.180 nan 0.000 0.546 55 S N 1.031 116.939 115.700 0.348 0.000 2.707 55 S HA 0.792 5.262 4.470 -0.000 0.000 0.276 55 S C 0.514 175.328 174.600 0.357 0.000 1.179 55 S CA 0.380 58.709 58.200 0.215 0.000 0.992 55 S CB 0.824 64.106 63.200 0.138 0.000 1.030 55 S HN 1.574 nan 8.310 nan 0.000 0.554 56 G N -0.233 108.704 108.800 0.228 0.000 2.645 56 G HA2 -0.169 3.790 3.960 -0.000 0.000 0.246 56 G HA3 -0.169 3.790 3.960 -0.000 0.000 0.246 56 G C -0.876 174.224 174.900 0.332 0.000 1.322 56 G CA -0.350 44.883 45.100 0.221 0.000 0.898 56 G HN 1.002 nan 8.290 nan 0.000 0.573 57 V N 0.595 120.658 119.914 0.248 0.000 2.417 57 V HA 0.490 4.610 4.120 -0.000 0.000 0.291 57 V C 0.202 176.429 176.094 0.222 0.000 1.024 57 V CA -0.537 61.938 62.300 0.292 0.000 0.861 57 V CB 1.800 33.730 31.823 0.178 0.000 0.985 57 V HN 0.699 nan 8.190 nan 0.000 0.436 58 W N 5.347 126.726 121.300 0.131 0.000 2.388 58 W HA 0.237 4.897 4.660 -0.000 0.000 0.308 58 W C 0.288 176.786 176.519 -0.035 0.000 1.263 58 W CA -0.547 56.711 57.345 -0.144 0.000 1.286 58 W CB 0.775 29.951 29.460 -0.473 0.000 1.294 58 W HN 0.631 nan 8.180 nan 0.000 0.493 59 N N 4.554 123.152 118.700 -0.169 0.000 2.416 59 N HA 0.138 4.877 4.740 -0.000 0.000 0.271 59 N C -0.156 175.437 175.510 0.139 0.000 1.245 59 N CA 0.349 53.373 53.050 -0.043 0.000 0.940 59 N CB 0.887 39.270 38.487 -0.173 0.000 1.175 59 N HN 0.373 nan 8.380 nan 0.000 0.483 60 A N 2.550 125.492 122.820 0.203 0.000 2.911 60 A HA 0.163 4.483 4.320 -0.000 0.000 0.304 60 A C 0.962 178.557 177.584 0.018 0.000 1.144 60 A CA -0.380 51.774 52.037 0.196 0.000 0.988 60 A CB -0.444 18.733 19.000 0.294 0.000 1.141 60 A HN 0.592 nan 8.150 nan 0.000 0.552 61 S N -0.758 114.921 115.700 -0.035 0.000 2.557 61 S HA 0.219 4.689 4.470 -0.000 0.000 0.223 61 S C 0.570 175.088 174.600 -0.136 0.000 0.969 61 S CA 0.484 58.620 58.200 -0.105 0.000 0.927 61 S CB -0.429 62.717 63.200 -0.090 0.000 0.806 61 S HN 0.799 nan 8.310 nan 0.000 0.489 62 T N -1.246 113.238 114.554 -0.118 0.000 2.916 62 T HA 0.601 4.951 4.350 -0.000 0.000 0.305 62 T C -0.867 173.786 174.700 -0.077 0.000 1.119 62 T CA -0.760 61.261 62.100 -0.131 0.000 1.008 62 T CB 0.598 69.417 68.868 -0.081 0.000 1.129 62 T HN 0.050 nan 8.240 nan 0.000 0.480 63 Y N 2.828 123.096 120.300 -0.053 0.000 2.652 63 Y HA 0.320 4.870 4.550 -0.000 0.000 0.344 63 Y C -1.334 174.501 175.900 -0.109 0.000 1.254 63 Y CA -1.061 57.008 58.100 -0.053 0.000 1.480 63 Y CB 0.103 38.555 38.460 -0.013 0.000 1.345 63 Y HN 0.547 nan 8.280 nan 0.000 0.617 64 P HA 0.142 nan 4.420 nan 0.000 0.306 64 P C -0.768 176.459 177.300 -0.121 0.000 1.309 64 P CA -0.546 62.428 63.100 -0.210 0.000 0.759 64 P CB 1.012 32.468 31.700 -0.407 0.000 1.314 65 N N -0.131 118.473 118.700 -0.159 0.000 2.424 65 N HA 0.161 4.901 4.740 -0.000 0.000 0.257 65 N C -0.021 175.463 175.510 -0.042 0.000 1.250 65 N CA 0.026 53.028 53.050 -0.080 0.000 0.946 65 N CB -0.120 38.327 38.487 -0.066 0.000 1.175 65 N HN 0.391 nan 8.380 nan 0.000 0.477 66 N N -0.724 117.940 118.700 -0.059 0.000 2.466 66 N HA 0.333 5.073 4.740 -0.000 0.000 0.294 66 N C -0.513 174.957 175.510 -0.066 0.000 1.129 66 N CA -0.686 52.322 53.050 -0.068 0.000 0.931 66 N CB 1.118 39.542 38.487 -0.106 0.000 1.193 66 N HN 0.383 nan 8.380 nan 0.000 0.500 67 c N 1.202 119.763 118.600 -0.065 0.000 2.657 67 c HA 0.082 4.652 4.570 -0.000 0.000 0.404 67 c C 0.676 174.694 174.090 -0.119 0.000 1.291 67 c CA -0.728 55.545 56.329 -0.093 0.000 2.218 67 c CB 0.057 42.531 42.510 -0.060 0.000 2.687 67 c HN 0.549 nan 8.230 nan 0.000 0.634 68 Q N 2.519 122.180 119.800 -0.232 0.000 2.283 68 Q HA 0.150 4.490 4.340 -0.000 0.000 0.301 68 Q C -0.037 175.966 176.000 0.004 0.000 1.063 68 Q CA 1.159 56.823 55.803 -0.230 0.000 0.952 68 Q CB 0.202 28.549 28.738 -0.652 0.000 1.166 68 Q HN 0.900 nan 8.270 nan 0.000 0.381 69 Q N 1.121 120.989 119.800 0.114 0.000 2.633 69 Q HA 0.234 4.574 4.340 -0.000 0.000 0.289 69 Q C -1.365 174.814 176.000 0.299 0.000 0.940 69 Q CA -0.981 54.980 55.803 0.262 0.000 0.785 69 Q CB 0.521 29.378 28.738 0.199 0.000 1.467 69 Q HN 0.491 nan 8.270 nan 0.000 0.401 70 Y N 1.715 122.206 120.300 0.318 0.000 2.697 70 Y HA 0.281 4.831 4.550 -0.000 0.000 0.349 70 Y C -0.711 175.379 175.900 0.316 0.000 1.120 70 Y CA 0.028 58.320 58.100 0.320 0.000 1.468 70 Y CB 0.446 39.131 38.460 0.374 0.000 1.182 70 Y HN 0.422 nan 8.280 nan 0.000 0.525 71 V N 6.713 126.507 119.914 -0.200 0.000 2.555 71 V HA -0.009 4.111 4.120 -0.000 0.000 0.286 71 V C 0.125 176.055 176.094 -0.273 0.000 1.044 71 V CA -0.498 61.728 62.300 -0.123 0.000 1.026 71 V CB 0.965 32.737 31.823 -0.085 0.000 0.981 71 V HN 0.749 nan 8.190 nan 0.000 0.480 72 D N 3.687 124.117 120.400 0.050 0.000 2.351 72 D HA 0.163 4.803 4.640 -0.000 0.000 0.251 72 D C 0.292 176.676 176.300 0.140 0.000 1.137 72 D CA 0.021 54.134 54.000 0.189 0.000 0.879 72 D CB 0.921 41.959 40.800 0.398 0.000 1.181 72 D HN 0.676 nan 8.370 nan 0.000 0.448 73 E N 2.194 122.460 120.200 0.110 0.000 3.105 73 E HA 0.013 4.362 4.350 -0.000 0.000 0.198 73 E C 0.735 177.337 176.600 0.003 0.000 0.976 73 E CA -0.296 56.141 56.400 0.062 0.000 1.219 73 E CB 0.704 30.406 29.700 0.003 0.000 1.081 73 E HN 0.458 nan 8.360 nan 0.000 0.464 74 Q N -0.541 119.241 119.800 -0.029 0.000 2.079 74 Q HA -0.014 4.326 4.340 -0.000 0.000 0.200 74 Q C -0.045 175.567 176.000 -0.647 0.000 0.974 74 Q CA 1.128 56.650 55.803 -0.469 0.000 0.840 74 Q CB 0.290 28.495 28.738 -0.888 0.000 0.898 74 Q HN 0.231 nan 8.270 nan 0.000 0.430 75 F N 0.360 120.372 119.950 0.104 0.000 2.622 75 F HA 0.359 4.886 4.527 -0.000 0.000 0.338 75 F C -2.173 173.708 175.800 0.135 0.000 1.334 75 F CA -2.677 55.373 58.000 0.084 0.000 1.179 75 F CB 1.037 40.095 39.000 0.096 0.000 1.471 75 F HN -0.160 nan 8.300 nan 0.000 0.576 76 P HA 0.131 nan 4.420 nan 0.000 0.264 76 P C 1.056 178.448 177.300 0.154 0.000 1.183 76 P CA 1.323 64.511 63.100 0.147 0.000 0.763 76 P CB 0.765 32.512 31.700 0.079 0.000 0.807 77 G N 2.294 111.167 108.800 0.120 0.000 2.284 77 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.261 77 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.261 77 G C 0.082 175.047 174.900 0.107 0.000 0.997 77 G CA -0.246 44.904 45.100 0.083 0.000 0.621 77 G HN 0.552 nan 8.290 nan 0.000 0.534 78 F N 3.311 123.256 119.950 -0.008 0.000 2.472 78 F HA 0.500 5.027 4.527 -0.000 0.000 0.364 78 F C 1.722 177.447 175.800 -0.125 0.000 1.090 78 F CA -0.088 57.847 58.000 -0.107 0.000 1.188 78 F CB 1.012 39.925 39.000 -0.147 0.000 1.105 78 F HN 0.250 nan 8.300 nan 0.000 0.536 79 S N 3.365 118.664 115.700 -0.669 0.000 2.383 79 S HA -0.145 4.324 4.470 -0.000 0.000 0.229 79 S C 2.218 176.379 174.600 -0.732 0.000 1.030 79 S CA 1.018 58.854 58.200 -0.607 0.000 1.002 79 S CB -1.268 61.612 63.200 -0.533 0.000 0.829 79 S HN 0.824 nan 8.310 nan 0.000 0.467 80 G N 1.596 109.510 108.800 -1.477 0.000 2.450 80 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.220 80 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.220 80 G C 1.694 176.755 174.900 0.268 0.000 1.130 80 G CA 1.273 45.811 45.100 -0.937 0.000 0.760 80 G HN 0.797 nan 8.290 nan 0.000 0.557 81 S N -0.458 115.437 115.700 0.324 0.000 2.475 81 S HA 0.162 4.632 4.470 -0.000 0.000 0.224 81 S C 1.790 176.680 174.600 0.485 0.000 1.042 81 S CA 0.702 59.399 58.200 0.827 0.000 0.935 81 S CB 0.178 63.992 63.200 1.023 0.000 0.801 81 S HN 0.354 nan 8.310 nan 0.000 0.509 82 E N 1.590 121.904 120.200 0.191 0.000 2.435 82 E HA 0.119 4.468 4.350 -0.000 0.000 0.195 82 E C 1.939 178.500 176.600 -0.065 0.000 1.029 82 E CA 0.631 57.081 56.400 0.083 0.000 0.865 82 E CB -0.301 29.419 29.700 0.035 0.000 0.833 82 E HN 0.818 nan 8.360 nan 0.000 0.510 83 M N -1.996 117.461 119.600 -0.238 0.000 2.460 83 M HA -0.019 4.460 4.480 -0.000 0.000 0.263 83 M C 0.946 176.956 176.300 -0.483 0.000 1.071 83 M CA 1.234 56.255 55.300 -0.464 0.000 1.096 83 M CB -0.281 31.887 32.600 -0.720 0.000 1.408 83 M HN 0.039 nan 8.290 nan 0.000 0.463 84 W N 1.099 122.370 121.300 -0.048 0.000 3.114 84 W HA 0.253 4.913 4.660 -0.000 0.000 0.279 84 W C 0.523 176.989 176.519 -0.089 0.000 1.277 84 W CA -0.993 56.299 57.345 -0.089 0.000 1.630 84 W CB -0.044 29.405 29.460 -0.017 0.000 1.087 84 W HN 0.112 nan 8.180 nan 0.000 0.637 85 N N 1.259 120.037 118.700 0.130 0.000 2.445 85 N HA 0.154 4.894 4.740 -0.000 0.000 0.264 85 N C -2.519 172.979 175.510 -0.020 0.000 1.227 85 N CA -1.510 51.581 53.050 0.069 0.000 0.963 85 N CB -0.079 38.454 38.487 0.076 0.000 1.188 85 N HN -0.379 nan 8.380 nan 0.000 0.491 86 P HA 0.049 nan 4.420 nan 0.000 0.262 86 P C 0.217 177.474 177.300 -0.072 0.000 1.199 86 P CA 0.014 63.070 63.100 -0.073 0.000 0.763 86 P CB 0.170 31.834 31.700 -0.059 0.000 0.790 87 N N 3.355 121.996 118.700 -0.097 0.000 2.251 87 N HA 0.067 4.807 4.740 -0.000 0.000 0.217 87 N C 0.256 175.727 175.510 -0.064 0.000 1.124 87 N CA 0.059 53.059 53.050 -0.083 0.000 0.843 87 N CB 0.308 38.732 38.487 -0.106 0.000 1.024 87 N HN 0.193 nan 8.380 nan 0.000 0.501 88 R N -0.132 120.328 120.500 -0.066 0.000 2.947 88 R HA 0.332 4.672 4.340 -0.000 0.000 0.253 88 R C -0.472 175.797 176.300 -0.053 0.000 1.208 88 R CA -0.617 55.453 56.100 -0.051 0.000 1.012 88 R CB 0.685 30.952 30.300 -0.055 0.000 1.267 88 R HN 0.123 nan 8.270 nan 0.000 0.473 89 E N 1.772 121.941 120.200 -0.051 0.000 2.344 89 E HA 0.135 4.484 4.350 -0.000 0.000 0.270 89 E C -0.115 176.449 176.600 -0.060 0.000 1.021 89 E CA 0.129 56.498 56.400 -0.052 0.000 0.887 89 E CB 0.692 30.361 29.700 -0.051 0.000 0.997 89 E HN 0.273 nan 8.360 nan 0.000 0.429 90 M N 2.129 121.692 119.600 -0.061 0.000 2.146 90 M HA 0.091 4.571 4.480 -0.000 0.000 0.352 90 M C 0.333 176.577 176.300 -0.094 0.000 1.343 90 M CA 0.217 55.471 55.300 -0.077 0.000 1.115 90 M CB 0.786 33.343 32.600 -0.071 0.000 1.657 90 M HN 0.275 nan 8.290 nan 0.000 0.471 91 S N 1.996 117.633 115.700 -0.104 0.000 2.569 91 S HA 0.315 4.785 4.470 -0.000 0.000 0.280 91 S C 0.412 174.918 174.600 -0.156 0.000 1.111 91 S CA -0.726 57.406 58.200 -0.114 0.000 0.887 91 S CB 1.712 64.872 63.200 -0.067 0.000 1.095 91 S HN 0.798 nan 8.310 nan 0.000 0.476 92 E N 0.793 120.878 120.200 -0.191 0.000 2.274 92 E HA -0.065 4.285 4.350 -0.000 0.000 0.194 92 E C -0.306 176.219 176.600 -0.126 0.000 0.996 92 E CA 0.501 56.762 56.400 -0.232 0.000 0.840 92 E CB 0.122 29.674 29.700 -0.247 0.000 0.772 92 E HN 0.561 nan 8.360 nan 0.000 0.491 93 D N 0.338 120.703 120.400 -0.059 0.000 2.483 93 D HA -0.004 4.636 4.640 -0.000 0.000 0.220 93 D C 0.031 176.412 176.300 0.134 0.000 1.173 93 D CA -0.167 53.845 54.000 0.020 0.000 0.964 93 D CB 0.104 40.942 40.800 0.063 0.000 1.046 93 D HN 0.149 nan 8.370 nan 0.000 0.517 94 c N 2.434 121.082 118.600 0.080 0.000 3.865 94 c HA 0.358 4.928 4.570 -0.000 0.000 0.297 94 c C 0.689 174.844 174.090 0.107 0.000 1.758 94 c CA -0.637 55.803 56.329 0.184 0.000 1.778 94 c CB -1.139 41.396 42.510 0.043 0.000 3.158 94 c HN 0.429 nan 8.230 nan 0.000 0.598 95 L N 2.713 123.736 121.223 -0.333 0.000 2.415 95 L HA 0.370 4.710 4.340 -0.000 0.000 0.269 95 L C -0.885 175.172 176.870 -1.355 0.000 1.244 95 L CA 0.748 55.145 54.840 -0.738 0.000 1.113 95 L CB -0.678 40.860 42.059 -0.869 0.000 1.352 95 L HN 0.405 nan 8.230 nan 0.000 0.433 96 Y N 2.274 122.359 120.300 -0.358 0.000 2.609 96 Y HA 0.654 5.204 4.550 -0.000 0.000 0.342 96 Y C -0.153 175.877 175.900 0.216 0.000 1.058 96 Y CA -1.254 56.731 58.100 -0.191 0.000 1.055 96 Y CB 1.967 40.354 38.460 -0.121 0.000 1.292 96 Y HN 0.220 nan 8.280 nan 0.000 0.476 97 L N -0.166 121.226 121.223 0.282 0.000 2.376 97 L HA 0.767 5.106 4.340 -0.000 0.000 0.258 97 L C -1.385 175.507 176.870 0.037 0.000 1.013 97 L CA -1.209 53.734 54.840 0.172 0.000 0.822 97 L CB 1.884 43.956 42.059 0.021 0.000 1.388 97 L HN 0.487 nan 8.230 nan 0.000 0.413 98 N N 1.669 120.396 118.700 0.044 0.000 2.272 98 N HA 0.769 5.509 4.740 -0.000 0.000 0.305 98 N C -1.262 174.148 175.510 -0.166 0.000 1.103 98 N CA -0.262 52.721 53.050 -0.111 0.000 0.791 98 N CB 2.730 41.120 38.487 -0.161 0.000 1.356 98 N HN 0.682 nan 8.380 nan 0.000 0.486 99 I N 0.069 120.476 120.570 -0.272 0.000 2.569 99 I HA 0.383 4.553 4.170 -0.000 0.000 0.290 99 I C -0.893 175.188 176.117 -0.060 0.000 1.088 99 I CA -0.722 60.522 61.300 -0.094 0.000 1.047 99 I CB 2.399 40.268 38.000 -0.217 0.000 1.237 99 I HN 0.232 nan 8.210 nan 0.000 0.421 100 W N 5.648 127.097 121.300 0.247 0.000 2.361 100 W HA 0.553 5.213 4.660 -0.000 0.000 0.314 100 W C -1.044 175.633 176.519 0.262 0.000 1.041 100 W CA -0.673 56.820 57.345 0.247 0.000 1.241 100 W CB 2.099 31.667 29.460 0.179 0.000 1.279 100 W HN 0.085 nan 8.180 nan 0.000 0.436 101 V N 6.094 126.309 119.914 0.500 0.000 2.384 101 V HA 0.251 4.371 4.120 -0.000 0.000 0.287 101 V C -1.664 174.642 176.094 0.354 0.000 1.020 101 V CA -2.212 60.343 62.300 0.425 0.000 0.850 101 V CB 1.631 33.773 31.823 0.533 0.000 0.987 101 V HN 0.244 nan 8.190 nan 0.000 0.436 102 P HA 0.011 nan 4.420 nan 0.000 0.266 102 P C 0.813 178.254 177.300 0.234 0.000 1.193 102 P CA 0.511 63.763 63.100 0.254 0.000 0.770 102 P CB 0.829 32.643 31.700 0.190 0.000 0.836 103 S N 3.453 119.290 115.700 0.229 0.000 2.383 103 S HA -0.060 4.410 4.470 -0.000 0.000 0.208 103 S C -1.512 173.183 174.600 0.158 0.000 1.312 103 S CA 0.402 58.716 58.200 0.189 0.000 2.096 103 S CB -2.024 61.282 63.200 0.178 0.000 0.747 103 S HN 0.462 nan 8.310 nan 0.000 0.362 104 P HA -0.064 nan 4.420 nan 0.000 0.248 104 P C -0.663 176.707 177.300 0.118 0.000 1.127 104 P CA 0.621 63.785 63.100 0.106 0.000 0.801 104 P CB -0.250 31.501 31.700 0.086 0.000 0.732 105 R N 5.782 126.358 120.500 0.126 0.000 2.486 105 R HA 0.038 4.378 4.340 -0.000 0.000 0.303 105 R C -1.988 174.375 176.300 0.106 0.000 0.958 105 R CA -1.088 55.096 56.100 0.139 0.000 1.077 105 R CB -0.301 30.081 30.300 0.137 0.000 0.921 105 R HN 0.300 nan 8.270 nan 0.000 0.406 106 P HA 0.017 nan 4.420 nan 0.000 0.269 106 P C -0.253 177.082 177.300 0.059 0.000 1.209 106 P CA -0.209 62.936 63.100 0.076 0.000 0.776 106 P CB 0.770 32.518 31.700 0.081 0.000 0.876 107 K N 0.855 121.278 120.400 0.037 0.000 2.025 107 K HA 0.015 4.335 4.320 -0.000 0.000 0.207 107 K C 0.677 177.281 176.600 0.008 0.000 1.049 107 K CA 1.431 57.730 56.287 0.021 0.000 0.933 107 K CB -0.119 32.389 32.500 0.012 0.000 0.714 107 K HN 0.352 nan 8.250 nan 0.000 0.438 108 S N -0.130 115.573 115.700 0.004 0.000 2.835 108 S HA 0.123 4.593 4.470 -0.000 0.000 0.140 108 S C -0.839 173.755 174.600 -0.010 0.000 1.131 108 S CA -0.531 57.660 58.200 -0.014 0.000 1.110 108 S CB -0.121 63.058 63.200 -0.035 0.000 1.683 108 S HN 0.215 nan 8.310 nan 0.000 0.473 109 T N 1.639 116.200 114.554 0.011 0.000 2.862 109 T HA 0.517 4.867 4.350 -0.000 0.000 0.276 109 T C 0.419 175.124 174.700 0.008 0.000 0.974 109 T CA 0.143 62.250 62.100 0.011 0.000 0.966 109 T CB 0.927 69.813 68.868 0.031 0.000 1.072 109 T HN 0.457 nan 8.240 nan 0.000 0.538 110 T N 1.953 116.507 114.554 0.001 0.000 2.946 110 T HA 0.325 4.675 4.350 -0.000 0.000 0.311 110 T C -0.414 174.300 174.700 0.023 0.000 1.063 110 T CA -0.167 61.929 62.100 -0.006 0.000 1.139 110 T CB 0.249 69.101 68.868 -0.027 0.000 0.994 110 T HN 0.386 nan 8.240 nan 0.000 0.547 111 V N 4.784 124.715 119.914 0.028 0.000 2.604 111 V HA 0.540 4.660 4.120 -0.000 0.000 0.305 111 V C -0.159 175.980 176.094 0.076 0.000 1.043 111 V CA -0.779 61.562 62.300 0.068 0.000 0.888 111 V CB 1.864 33.729 31.823 0.070 0.000 0.995 111 V HN 0.828 nan 8.190 nan 0.000 0.429 112 M N 4.337 124.009 119.600 0.120 0.000 2.204 112 M HA 0.551 5.031 4.480 -0.000 0.000 0.293 112 M C -1.341 175.188 176.300 0.381 0.000 0.994 112 M CA -0.614 54.767 55.300 0.134 0.000 0.925 112 M CB 2.282 34.812 32.600 -0.116 0.000 1.577 112 M HN 0.354 nan 8.290 nan 0.000 0.439 113 V N 3.158 123.340 119.914 0.446 0.000 2.370 113 V HA 0.347 4.467 4.120 -0.000 0.000 0.283 113 V C -0.762 175.661 176.094 0.547 0.000 1.023 113 V CA -0.586 61.970 62.300 0.427 0.000 0.857 113 V CB 1.489 33.428 31.823 0.194 0.000 0.985 113 V HN 0.856 nan 8.190 nan 0.000 0.443 114 W N 6.933 128.371 121.300 0.230 0.000 2.351 114 W HA 0.584 5.244 4.660 -0.000 0.000 0.311 114 W C -1.248 175.153 176.519 -0.197 0.000 1.168 114 W CA -0.788 56.401 57.345 -0.261 0.000 1.200 114 W CB 1.187 30.519 29.460 -0.213 0.000 1.221 114 W HN 0.431 nan 8.180 nan 0.000 0.519 115 I N 9.684 129.530 120.570 -1.207 0.000 2.405 115 I HA 0.025 4.195 4.170 -0.000 0.000 0.280 115 I C -0.205 175.158 176.117 -1.257 0.000 1.027 115 I CA -1.057 59.671 61.300 -0.954 0.000 1.161 115 I CB 0.386 38.012 38.000 -0.625 0.000 1.300 115 I HN 0.304 nan 8.210 nan 0.000 0.463 116 Y N 4.647 124.488 120.300 -0.764 0.000 2.550 116 Y HA 0.568 5.118 4.550 -0.000 0.000 0.343 116 Y C 0.626 176.381 175.900 -0.240 0.000 1.245 116 Y CA -0.811 57.008 58.100 -0.468 0.000 1.462 116 Y CB -0.056 38.369 38.460 -0.059 0.000 1.340 116 Y HN 0.472 nan 8.280 nan 0.000 0.604 117 G N -0.805 108.017 108.800 0.038 0.000 2.820 117 G HA2 0.565 4.525 3.960 -0.000 0.000 0.291 117 G HA3 0.565 4.525 3.960 -0.000 0.000 0.291 117 G C -0.101 174.703 174.900 -0.159 0.000 1.323 117 G CA -0.987 44.047 45.100 -0.109 0.000 1.055 117 G HN 1.625 nan 8.290 nan 0.000 0.520 118 G N -2.236 106.321 108.800 -0.406 0.000 2.812 118 G HA2 0.450 4.410 3.960 -0.000 0.000 0.232 118 G HA3 0.450 4.410 3.960 -0.000 0.000 0.232 118 G C 0.891 175.242 174.900 -0.915 0.000 2.283 118 G CA 0.702 45.427 45.100 -0.624 0.000 0.929 118 G HN 2.243 nan 8.290 nan 0.000 0.471 119 G N -0.133 108.042 108.800 -1.041 0.000 2.244 119 G HA2 -0.168 3.791 3.960 -0.000 0.000 0.274 119 G HA3 -0.168 3.791 3.960 -0.000 0.000 0.274 119 G C 0.999 175.483 174.900 -0.694 0.000 1.002 119 G CA 0.911 45.034 45.100 -1.629 0.000 0.740 119 G HN 1.781 nan 8.290 nan 0.000 0.516 120 F N -3.665 116.107 119.950 -0.296 0.000 2.748 120 F HA -0.326 4.201 4.527 -0.000 0.000 0.370 120 F C 1.556 177.425 175.800 0.114 0.000 0.620 120 F CA 2.143 60.130 58.000 -0.021 0.000 1.233 120 F CB -2.017 36.848 39.000 -0.225 0.000 1.708 120 F HN 0.820 nan 8.300 nan 0.000 0.298 121 Y N -0.518 119.827 120.300 0.075 0.000 2.535 121 Y HA 0.590 5.140 4.550 -0.000 0.000 0.266 121 Y C 0.910 176.886 175.900 0.127 0.000 1.088 121 Y CA 0.432 58.597 58.100 0.108 0.000 1.285 121 Y CB -0.198 38.245 38.460 -0.028 0.000 1.166 121 Y HN 0.054 nan 8.280 nan 0.000 0.525 122 S N -0.665 114.751 115.700 -0.474 0.000 2.794 122 S HA 0.912 5.382 4.470 -0.000 0.000 0.299 122 S C -0.104 174.300 174.600 -0.327 0.000 1.179 122 S CA -0.540 57.469 58.200 -0.319 0.000 0.838 122 S CB 1.596 64.541 63.200 -0.426 0.000 1.206 122 S HN 1.240 nan 8.310 nan 0.000 0.523 123 G N -0.445 108.136 108.800 -0.365 0.000 2.348 123 G HA2 0.424 4.384 3.960 -0.000 0.000 0.606 123 G HA3 0.424 4.384 3.960 -0.000 0.000 0.606 123 G C -1.144 173.077 174.900 -1.131 0.000 1.466 123 G CA -0.417 44.286 45.100 -0.661 0.000 0.950 123 G HN 1.203 nan 8.290 nan 0.000 0.657 124 S N -1.019 113.994 115.700 -1.145 0.000 2.556 124 S HA 0.713 5.183 4.470 -0.000 0.000 0.271 124 S C 0.948 175.386 174.600 -0.269 0.000 1.135 124 S CA 0.073 57.841 58.200 -0.721 0.000 0.858 124 S CB 1.828 64.846 63.200 -0.304 0.000 1.114 124 S HN 1.891 nan 8.310 nan 0.000 0.468 125 S N -0.184 115.580 115.700 0.106 0.000 2.528 125 S HA -0.048 4.422 4.470 -0.000 0.000 0.219 125 S C 1.451 176.174 174.600 0.205 0.000 0.985 125 S CA 0.833 59.292 58.200 0.432 0.000 0.914 125 S CB -0.609 62.852 63.200 0.435 0.000 0.776 125 S HN 0.843 nan 8.310 nan 0.000 0.526 126 T N 0.463 114.930 114.554 -0.146 0.000 3.107 126 T HA 0.376 4.726 4.350 -0.000 0.000 0.249 126 T C 0.588 175.011 174.700 -0.462 0.000 1.096 126 T CA -0.461 61.244 62.100 -0.658 0.000 1.012 126 T CB -0.689 67.701 68.868 -0.797 0.000 0.977 126 T HN 0.319 nan 8.240 nan 0.000 0.527 127 L N 2.014 123.059 121.223 -0.298 0.000 2.499 127 L HA 0.129 4.469 4.340 -0.000 0.000 0.281 127 L C 1.434 178.056 176.870 -0.413 0.000 1.234 127 L CA -0.510 54.070 54.840 -0.434 0.000 0.839 127 L CB 0.303 41.934 42.059 -0.713 0.000 1.104 127 L HN 0.047 nan 8.230 nan 0.000 0.500 128 D N 1.039 121.221 120.400 -0.363 0.000 2.123 128 D HA -0.143 4.497 4.640 -0.000 0.000 0.196 128 D C 2.007 178.097 176.300 -0.350 0.000 0.992 128 D CA 1.421 55.265 54.000 -0.261 0.000 0.833 128 D CB -0.116 40.542 40.800 -0.236 0.000 0.954 128 D HN 0.519 nan 8.370 nan 0.000 0.455 129 V N -0.837 118.725 119.914 -0.587 0.000 3.026 129 V HA -0.183 3.937 4.120 -0.000 0.000 0.265 129 V C 1.204 176.843 176.094 -0.759 0.000 1.121 129 V CA 1.089 63.015 62.300 -0.623 0.000 1.142 129 V CB -1.188 30.202 31.823 -0.721 0.000 0.730 129 V HN 0.088 nan 8.190 nan 0.000 0.503 130 Y N 0.102 119.977 120.300 -0.710 0.000 2.571 130 Y HA 0.430 4.980 4.550 -0.000 0.000 0.275 130 Y C 1.036 176.646 175.900 -0.483 0.000 1.179 130 Y CA -1.884 55.581 58.100 -1.059 0.000 1.242 130 Y CB -1.109 36.974 38.460 -0.628 0.000 1.126 130 Y HN 0.250 nan 8.280 nan 0.000 0.524 131 N N 1.496 120.086 118.700 -0.183 0.000 2.434 131 N HA -0.010 4.730 4.740 -0.000 0.000 0.268 131 N C 1.267 176.469 175.510 -0.514 0.000 1.256 131 N CA 0.580 53.511 53.050 -0.199 0.000 0.914 131 N CB 1.171 39.628 38.487 -0.050 0.000 1.088 131 N HN 0.478 nan 8.380 nan 0.000 0.478 132 G N 3.282 111.131 108.800 -1.585 0.000 2.920 132 G HA2 -0.143 3.817 3.960 -0.000 0.000 0.208 132 G HA3 -0.143 3.817 3.960 -0.000 0.000 0.208 132 G C 1.384 175.689 174.900 -0.993 0.000 1.159 132 G CA 0.197 44.586 45.100 -1.185 0.000 0.784 132 G HN 0.747 nan 8.290 nan 0.000 0.535 133 K N -0.282 119.420 120.400 -1.163 0.000 2.026 133 K HA -0.146 4.174 4.320 -0.000 0.000 0.208 133 K C 1.782 178.178 176.600 -0.340 0.000 1.048 133 K CA 1.133 57.040 56.287 -0.633 0.000 0.929 133 K CB -0.643 31.499 32.500 -0.597 0.000 0.713 133 K HN 0.352 nan 8.250 nan 0.000 0.439 134 Y N 1.291 121.522 120.300 -0.115 0.000 2.128 134 Y HA -0.206 4.344 4.550 -0.000 0.000 0.284 134 Y C 2.479 178.383 175.900 0.007 0.000 1.154 134 Y CA 0.888 58.979 58.100 -0.016 0.000 1.149 134 Y CB -0.440 37.984 38.460 -0.060 0.000 0.976 134 Y HN 0.057 nan 8.280 nan 0.000 0.505 135 L N 0.223 121.490 121.223 0.073 0.000 2.072 135 L HA -0.020 4.320 4.340 -0.000 0.000 0.205 135 L C 2.343 179.231 176.870 0.029 0.000 1.079 135 L CA 1.783 56.620 54.840 -0.005 0.000 0.752 135 L CB -1.064 40.909 42.059 -0.143 0.000 0.906 135 L HN 0.135 nan 8.230 nan 0.000 0.436 136 A N -1.271 121.579 122.820 0.050 0.000 1.902 136 A HA -0.271 4.049 4.320 -0.000 0.000 0.217 136 A C 2.317 179.993 177.584 0.153 0.000 1.181 136 A CA 1.853 53.967 52.037 0.130 0.000 0.623 136 A CB -1.153 17.979 19.000 0.221 0.000 0.818 136 A HN 0.645 nan 8.150 nan 0.000 0.443 137 Y N 0.866 121.188 120.300 0.035 0.000 2.133 137 Y HA -0.170 4.379 4.550 -0.000 0.000 0.287 137 Y C 2.691 178.618 175.900 0.046 0.000 1.134 137 Y CA 2.388 60.513 58.100 0.043 0.000 1.133 137 Y CB -0.520 37.946 38.460 0.011 0.000 0.987 137 Y HN 0.292 nan 8.280 nan 0.000 0.502 138 T N 0.489 114.991 114.554 -0.087 0.000 2.652 138 T HA -0.158 4.192 4.350 -0.000 0.000 0.267 138 T C 1.365 175.994 174.700 -0.118 0.000 1.039 138 T CA 1.757 63.760 62.100 -0.163 0.000 1.153 138 T CB -0.188 68.693 68.868 0.022 0.000 0.863 138 T HN 0.329 nan 8.240 nan 0.000 0.428 139 E N 0.336 120.518 120.200 -0.029 0.000 2.479 139 E HA 0.101 4.451 4.350 -0.000 0.000 0.193 139 E C 0.485 177.087 176.600 0.003 0.000 1.049 139 E CA 0.095 56.503 56.400 0.013 0.000 0.870 139 E CB 0.068 29.789 29.700 0.035 0.000 0.944 139 E HN 0.464 nan 8.360 nan 0.000 0.492 140 E N 0.020 120.212 120.200 -0.015 0.000 2.340 140 E HA -0.165 4.185 4.350 -0.000 0.000 0.240 140 E C -0.863 175.763 176.600 0.043 0.000 1.154 140 E CA 0.519 56.925 56.400 0.010 0.000 0.717 140 E CB -1.749 27.947 29.700 -0.007 0.000 1.250 140 E HN 0.114 nan 8.360 nan 0.000 0.386 141 V N -2.861 117.091 119.914 0.065 0.000 3.001 141 V HA 0.794 4.914 4.120 -0.000 0.000 0.314 141 V C 0.343 176.516 176.094 0.133 0.000 1.099 141 V CA -0.878 61.467 62.300 0.075 0.000 0.989 141 V CB 2.381 34.231 31.823 0.045 0.000 1.040 141 V HN -0.013 nan 8.190 nan 0.000 0.434 142 V N 4.014 124.012 119.914 0.141 0.000 2.372 142 V HA 0.321 4.441 4.120 -0.000 0.000 0.261 142 V C 0.081 176.308 176.094 0.222 0.000 1.055 142 V CA -0.096 62.320 62.300 0.193 0.000 0.930 142 V CB 0.886 32.805 31.823 0.160 0.000 1.031 142 V HN 0.788 nan 8.190 nan 0.000 0.479 143 L N 7.057 128.471 121.223 0.319 0.000 2.264 143 L HA 0.601 4.941 4.340 -0.000 0.000 0.289 143 L C -0.700 176.475 176.870 0.508 0.000 1.044 143 L CA -0.233 54.850 54.840 0.406 0.000 0.807 143 L CB 1.478 43.784 42.059 0.410 0.000 1.192 143 L HN 0.380 nan 8.230 nan 0.000 0.425 144 V N 3.352 123.534 119.914 0.447 0.000 2.555 144 V HA 0.532 4.652 4.120 -0.000 0.000 0.302 144 V C -0.220 176.154 176.094 0.468 0.000 1.038 144 V CA -0.536 61.989 62.300 0.376 0.000 0.887 144 V CB 2.002 33.961 31.823 0.227 0.000 0.991 144 V HN 0.861 nan 8.190 nan 0.000 0.434 145 S N 4.787 120.756 115.700 0.449 0.000 2.561 145 S HA 0.842 5.312 4.470 -0.000 0.000 0.303 145 S C -0.839 173.939 174.600 0.297 0.000 1.110 145 S CA -0.778 57.709 58.200 0.478 0.000 1.034 145 S CB 1.635 65.234 63.200 0.665 0.000 1.010 145 S HN 0.681 nan 8.310 nan 0.000 0.482 146 L N 0.585 121.919 121.223 0.185 0.000 2.492 146 L HA 1.015 5.355 4.340 -0.000 0.000 0.263 146 L C -0.004 176.991 176.870 0.208 0.000 1.062 146 L CA -0.804 54.108 54.840 0.119 0.000 0.817 146 L CB 0.237 42.238 42.059 -0.097 0.000 1.441 146 L HN 0.874 nan 8.230 nan 0.000 0.493 147 S N -1.389 114.494 115.700 0.304 0.000 2.564 147 S HA 0.846 5.316 4.470 -0.000 0.000 0.274 147 S C -1.340 173.482 174.600 0.369 0.000 1.124 147 S CA -0.628 57.771 58.200 0.331 0.000 0.869 147 S CB 1.335 64.775 63.200 0.400 0.000 1.105 147 S HN 1.042 nan 8.310 nan 0.000 0.472 148 Y N -1.131 119.266 120.300 0.162 0.000 2.534 148 Y HA 0.707 5.257 4.550 -0.000 0.000 0.345 148 Y C -0.442 175.572 175.900 0.189 0.000 1.031 148 Y CA -1.424 56.764 58.100 0.146 0.000 1.022 148 Y CB 0.933 39.431 38.460 0.063 0.000 1.292 148 Y HN 0.744 nan 8.280 nan 0.000 0.459 149 R N 1.984 122.580 120.500 0.160 0.000 2.585 149 R HA 0.431 4.771 4.340 -0.000 0.000 0.275 149 R C -0.261 176.152 176.300 0.189 0.000 1.018 149 R CA 0.073 56.228 56.100 0.092 0.000 1.072 149 R CB 0.559 30.876 30.300 0.029 0.000 0.953 149 R HN 0.704 nan 8.270 nan 0.000 0.419 150 V N 0.116 120.182 119.914 0.253 0.000 3.166 150 V HA 0.851 4.971 4.120 -0.000 0.000 0.317 150 V C 0.921 177.312 176.094 0.495 0.000 1.136 150 V CA -0.191 62.377 62.300 0.446 0.000 1.035 150 V CB 1.164 33.170 31.823 0.307 0.000 1.110 150 V HN 0.979 nan 8.190 nan 0.000 0.450 151 G N 0.945 110.087 108.800 0.570 0.000 2.574 151 G HA2 -0.080 3.880 3.960 -0.000 0.000 0.286 151 G HA3 -0.080 3.880 3.960 -0.000 0.000 0.286 151 G C 1.052 176.131 174.900 0.297 0.000 1.212 151 G CA 1.187 46.563 45.100 0.460 0.000 0.979 151 G HN 2.131 nan 8.290 nan 0.000 0.557 152 A N -1.183 121.527 122.820 -0.183 0.000 2.014 152 A HA 0.415 4.735 4.320 -0.000 0.000 0.218 152 A C 2.214 179.523 177.584 -0.460 0.000 1.163 152 A CA 2.222 53.801 52.037 -0.763 0.000 0.652 152 A CB -0.398 17.973 19.000 -1.049 0.000 0.808 152 A HN 0.779 nan 8.150 nan 0.000 0.449 153 F N 0.142 120.017 119.950 -0.126 0.000 2.134 153 F HA 0.019 4.546 4.527 -0.000 0.000 0.299 153 F C 2.465 178.132 175.800 -0.222 0.000 1.097 153 F CA 1.249 59.069 58.000 -0.300 0.000 1.264 153 F CB -0.723 38.140 39.000 -0.228 0.000 1.001 153 F HN 0.275 nan 8.300 nan 0.000 0.479 154 G N -2.503 106.285 108.800 -0.019 0.000 2.921 154 G HA2 0.055 4.015 3.960 -0.000 0.000 0.213 154 G HA3 0.055 4.015 3.960 -0.000 0.000 0.213 154 G C 0.738 175.140 174.900 -0.830 0.000 1.143 154 G CA 0.112 44.989 45.100 -0.373 0.000 0.764 154 G HN 0.315 nan 8.290 nan 0.000 0.542 155 F N -0.608 119.395 119.950 0.089 0.000 2.856 155 F HA 0.426 4.953 4.527 -0.000 0.000 0.338 155 F C 0.378 176.217 175.800 0.065 0.000 1.100 155 F CA -1.099 56.949 58.000 0.081 0.000 1.150 155 F CB 0.432 39.504 39.000 0.120 0.000 1.101 155 F HN -0.098 nan 8.300 nan 0.000 0.548 156 L N 2.213 123.445 121.223 0.015 0.000 2.559 156 L HA 0.395 4.735 4.340 -0.000 0.000 0.274 156 L C 0.260 177.143 176.870 0.021 0.000 1.205 156 L CA 0.121 54.879 54.840 -0.138 0.000 0.907 156 L CB 0.171 41.993 42.059 -0.394 0.000 1.153 156 L HN 0.161 nan 8.230 nan 0.000 0.490 157 A N 7.149 130.024 122.820 0.091 0.000 2.360 157 A HA 0.544 4.864 4.320 -0.000 0.000 0.309 157 A C -0.559 177.064 177.584 0.065 0.000 1.311 157 A CA -0.466 51.625 52.037 0.091 0.000 0.805 157 A CB 0.156 19.236 19.000 0.133 0.000 1.144 157 A HN 0.715 nan 8.150 nan 0.000 0.486 158 L N 3.414 124.654 121.223 0.027 0.000 2.603 158 L HA 0.199 4.539 4.340 -0.000 0.000 0.242 158 L C 0.168 177.077 176.870 0.066 0.000 1.169 158 L CA -0.825 54.029 54.840 0.024 0.000 1.029 158 L CB -0.077 41.955 42.059 -0.044 0.000 1.361 158 L HN 0.847 nan 8.230 nan 0.000 0.439 159 H N 1.788 120.865 119.070 0.011 0.000 3.231 159 H HA 0.127 4.683 4.556 -0.000 0.000 0.280 159 H C 1.101 176.437 175.328 0.014 0.000 0.901 159 H CA 1.401 57.462 56.048 0.021 0.000 1.414 159 H CB 0.359 30.139 29.762 0.031 0.000 1.433 159 H HN 0.712 nan 8.280 nan 0.000 0.549 160 G N 2.664 111.252 108.800 -0.352 0.000 2.428 160 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.199 160 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.199 160 G C 0.342 175.165 174.900 -0.129 0.000 1.005 160 G CA 0.050 44.982 45.100 -0.280 0.000 0.671 160 G HN 0.850 nan 8.290 nan 0.000 0.485 161 S N 0.293 115.947 115.700 -0.076 0.000 2.562 161 S HA 0.563 5.033 4.470 -0.000 0.000 0.275 161 S C 1.024 175.612 174.600 -0.021 0.000 1.281 161 S CA -0.125 58.051 58.200 -0.040 0.000 1.045 161 S CB 1.390 64.569 63.200 -0.034 0.000 0.962 161 S HN 0.195 nan 8.310 nan 0.000 0.503 162 Q N 2.102 121.897 119.800 -0.009 0.000 2.360 162 Q HA 0.159 4.499 4.340 -0.000 0.000 0.202 162 Q C 0.857 176.872 176.000 0.025 0.000 0.915 162 Q CA 0.361 56.169 55.803 0.009 0.000 0.943 162 Q CB 0.304 29.047 28.738 0.008 0.000 1.064 162 Q HN 0.696 nan 8.270 nan 0.000 0.511 163 E N -0.086 120.128 120.200 0.022 0.000 2.216 163 E HA 0.116 4.466 4.350 -0.000 0.000 0.192 163 E C 0.209 176.844 176.600 0.059 0.000 0.973 163 E CA 0.468 56.894 56.400 0.044 0.000 0.851 163 E CB 0.608 30.329 29.700 0.035 0.000 0.804 163 E HN 0.087 nan 8.360 nan 0.000 0.477 164 A N 2.143 124.970 122.820 0.011 0.000 3.355 164 A HA 0.288 4.608 4.320 -0.000 0.000 0.290 164 A C -1.965 175.627 177.584 0.014 0.000 0.973 164 A CA -0.931 51.102 52.037 -0.006 0.000 0.933 164 A CB 0.568 19.456 19.000 -0.185 0.000 1.138 164 A HN -0.105 nan 8.150 nan 0.000 0.490 165 P HA 0.089 nan 4.420 nan 0.000 0.221 165 P C 0.911 178.280 177.300 0.114 0.000 1.150 165 P CA 1.900 65.049 63.100 0.082 0.000 0.800 165 P CB 0.187 31.934 31.700 0.078 0.000 0.787 166 G N 0.325 109.174 108.800 0.082 0.000 2.662 166 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.686 166 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.686 166 G C -0.206 174.726 174.900 0.054 0.000 1.271 166 G CA -0.294 44.862 45.100 0.093 0.000 0.816 166 G HN 0.132 nan 8.290 nan 0.000 0.608 167 N N -2.300 116.439 118.700 0.065 0.000 2.753 167 N HA -0.272 4.468 4.740 -0.000 0.000 0.251 167 N C 1.844 177.241 175.510 -0.189 0.000 1.097 167 N CA 2.363 55.388 53.050 -0.042 0.000 0.786 167 N CB -1.641 36.762 38.487 -0.139 0.000 1.137 167 N HN 1.866 nan 8.380 nan 0.000 0.566 168 V N -3.246 116.534 119.914 -0.222 0.000 2.809 168 V HA 0.063 4.183 4.120 -0.000 0.000 0.256 168 V C 2.297 178.251 176.094 -0.234 0.000 1.080 168 V CA 2.085 64.287 62.300 -0.162 0.000 1.102 168 V CB -0.736 31.029 31.823 -0.096 0.000 0.705 168 V HN 0.270 nan 8.190 nan 0.000 0.475 169 G N 0.457 108.903 108.800 -0.591 0.000 2.408 169 G HA2 -0.116 3.844 3.960 -0.000 0.000 0.217 169 G HA3 -0.116 3.844 3.960 -0.000 0.000 0.217 169 G C 1.548 176.411 174.900 -0.063 0.000 1.150 169 G CA 1.007 45.864 45.100 -0.405 0.000 0.776 169 G HN 0.507 nan 8.290 nan 0.000 0.542 170 L N -0.080 121.077 121.223 -0.110 0.000 2.141 170 L HA 0.068 4.408 4.340 -0.000 0.000 0.209 170 L C 2.786 179.707 176.870 0.084 0.000 1.094 170 L CA 0.404 55.180 54.840 -0.108 0.000 0.763 170 L CB -0.206 41.481 42.059 -0.621 0.000 0.908 170 L HN 0.193 nan 8.230 nan 0.000 0.437 171 L N -0.780 120.482 121.223 0.067 0.000 2.217 171 L HA -0.177 4.163 4.340 -0.000 0.000 0.211 171 L C 2.063 179.018 176.870 0.141 0.000 1.107 171 L CA 0.681 55.624 54.840 0.173 0.000 0.783 171 L CB -0.525 41.610 42.059 0.126 0.000 0.919 171 L HN 0.268 nan 8.230 nan 0.000 0.442 172 D N -0.050 120.425 120.400 0.125 0.000 2.117 172 D HA -0.185 4.455 4.640 -0.000 0.000 0.197 172 D C 2.260 178.636 176.300 0.127 0.000 0.987 172 D CA 1.095 55.220 54.000 0.208 0.000 0.829 172 D CB -0.118 40.840 40.800 0.264 0.000 0.961 172 D HN 0.407 nan 8.370 nan 0.000 0.460 173 Q N 0.229 120.073 119.800 0.072 0.000 2.084 173 Q HA -0.122 4.218 4.340 -0.000 0.000 0.202 173 Q C 2.293 178.207 176.000 -0.144 0.000 0.978 173 Q CA 0.919 56.683 55.803 -0.065 0.000 0.844 173 Q CB -0.069 28.652 28.738 -0.030 0.000 0.898 173 Q HN 0.195 nan 8.270 nan 0.000 0.426 174 R N 0.618 121.115 120.500 -0.005 0.000 2.096 174 R HA -0.129 4.211 4.340 -0.000 0.000 0.235 174 R C 2.198 178.473 176.300 -0.043 0.000 1.127 174 R CA 1.338 57.416 56.100 -0.036 0.000 0.968 174 R CB -0.135 30.248 30.300 0.138 0.000 0.861 174 R HN 0.274 nan 8.270 nan 0.000 0.440 175 M N -0.106 119.494 119.600 -0.000 0.000 2.132 175 M HA -0.101 4.379 4.480 -0.000 0.000 0.263 175 M C 2.117 178.365 176.300 -0.087 0.000 1.065 175 M CA 1.948 57.272 55.300 0.040 0.000 1.122 175 M CB -0.028 32.683 32.600 0.185 0.000 1.365 175 M HN 0.297 nan 8.290 nan 0.000 0.411 176 A N 0.257 122.772 122.820 -0.507 0.000 1.930 176 A HA -0.110 4.210 4.320 -0.000 0.000 0.217 176 A C 1.978 179.440 177.584 -0.203 0.000 1.175 176 A CA 1.259 52.816 52.037 -0.802 0.000 0.627 176 A CB -0.952 17.211 19.000 -1.395 0.000 0.815 176 A HN 0.576 nan 8.150 nan 0.000 0.443 177 L N -1.061 120.062 121.223 -0.167 0.000 2.131 177 L HA -0.217 4.123 4.340 -0.000 0.000 0.210 177 L C 2.818 179.723 176.870 0.059 0.000 1.092 177 L CA 1.647 56.456 54.840 -0.051 0.000 0.759 177 L CB -0.399 41.588 42.059 -0.121 0.000 0.903 177 L HN 0.501 nan 8.230 nan 0.000 0.435 178 Q N -0.344 119.484 119.800 0.047 0.000 2.079 178 Q HA -0.246 4.094 4.340 -0.000 0.000 0.200 178 Q C 2.009 178.093 176.000 0.139 0.000 0.974 178 Q CA 1.775 57.617 55.803 0.066 0.000 0.840 178 Q CB -0.475 28.286 28.738 0.037 0.000 0.898 178 Q HN 0.452 nan 8.270 nan 0.000 0.430 179 W N -0.496 120.808 121.300 0.007 0.000 2.338 179 W HA -0.199 4.461 4.660 -0.000 0.000 0.304 179 W C 1.776 178.330 176.519 0.060 0.000 1.212 179 W CA 1.806 59.182 57.345 0.053 0.000 1.264 179 W CB -0.181 29.307 29.460 0.046 0.000 1.142 179 W HN 0.029 nan 8.180 nan 0.000 0.512 180 V N -0.042 120.076 119.914 0.341 0.000 2.407 180 V HA -0.354 3.766 4.120 -0.000 0.000 0.248 180 V C 2.509 178.618 176.094 0.025 0.000 1.055 180 V CA 2.304 64.732 62.300 0.213 0.000 1.049 180 V CB -1.212 30.724 31.823 0.189 0.000 0.662 180 V HN 0.348 nan 8.190 nan 0.000 0.455 181 H N 0.278 119.325 119.070 -0.038 0.000 2.389 181 H HA -0.124 4.432 4.556 -0.000 0.000 0.299 181 H C 1.805 177.045 175.328 -0.147 0.000 1.081 181 H CA 1.834 57.839 56.048 -0.072 0.000 1.345 181 H CB 0.067 29.807 29.762 -0.035 0.000 1.393 181 H HN 0.410 nan 8.280 nan 0.000 0.520 182 D N -0.440 119.957 120.400 -0.006 0.000 2.333 182 D HA -0.023 4.617 4.640 -0.000 0.000 0.208 182 D C 1.178 177.315 176.300 -0.272 0.000 0.984 182 D CA 0.417 54.353 54.000 -0.106 0.000 0.873 182 D CB 0.204 40.941 40.800 -0.104 0.000 0.935 182 D HN 0.454 nan 8.370 nan 0.000 0.521 183 N N -0.247 118.175 118.700 -0.464 0.000 2.266 183 N HA 0.019 4.759 4.740 -0.000 0.000 0.217 183 N C 1.532 176.940 175.510 -0.171 0.000 1.211 183 N CA -0.168 52.653 53.050 -0.382 0.000 0.881 183 N CB 0.985 38.897 38.487 -0.958 0.000 1.153 183 N HN -0.005 nan 8.380 nan 0.000 0.489 184 I N 3.328 123.797 120.570 -0.168 0.000 2.399 184 I HA -0.272 3.898 4.170 -0.000 0.000 0.254 184 I C 2.544 178.653 176.117 -0.013 0.000 1.146 184 I CA 1.460 62.778 61.300 0.030 0.000 1.412 184 I CB -0.205 37.794 38.000 -0.002 0.000 1.076 184 I HN 0.212 nan 8.210 nan 0.000 0.432 185 Q N -0.798 118.815 119.800 -0.312 0.000 2.291 185 Q HA -0.220 4.120 4.340 -0.000 0.000 0.206 185 Q C 1.596 177.359 176.000 -0.394 0.000 0.976 185 Q CA 1.559 57.117 55.803 -0.408 0.000 0.875 185 Q CB -0.690 27.688 28.738 -0.600 0.000 0.927 185 Q HN 0.455 nan 8.270 nan 0.000 0.450 186 F N -0.684 119.238 119.950 -0.046 0.000 2.780 186 F HA 0.196 4.723 4.527 -0.000 0.000 0.299 186 F C 0.678 176.260 175.800 -0.363 0.000 1.146 186 F CA 0.043 57.918 58.000 -0.207 0.000 1.428 186 F CB 0.109 38.926 39.000 -0.306 0.000 1.115 186 F HN -0.003 nan 8.300 nan 0.000 0.583 187 F N -0.719 119.230 119.950 -0.001 0.000 2.682 187 F HA 0.438 4.965 4.527 -0.000 0.000 0.308 187 F C 1.735 177.540 175.800 0.008 0.000 1.093 187 F CA 0.214 58.191 58.000 -0.038 0.000 1.244 187 F CB 0.261 39.197 39.000 -0.105 0.000 1.052 187 F HN 0.003 nan 8.300 nan 0.000 0.573 188 G N 0.306 109.181 108.800 0.125 0.000 2.159 188 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.227 188 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.227 188 G C 0.569 175.508 174.900 0.065 0.000 0.986 188 G CA -0.302 44.847 45.100 0.082 0.000 0.651 188 G HN 0.701 nan 8.290 nan 0.000 0.523 189 G N -0.500 108.340 108.800 0.067 0.000 2.448 189 G HA2 0.498 4.458 3.960 -0.000 0.000 0.285 189 G HA3 0.498 4.458 3.960 -0.000 0.000 0.285 189 G C -0.864 174.014 174.900 -0.036 0.000 1.176 189 G CA 0.250 45.370 45.100 0.033 0.000 0.852 189 G HN 0.232 nan 8.290 nan 0.000 0.530 190 D N 1.328 121.703 120.400 -0.041 0.000 2.427 190 D HA 0.290 4.930 4.640 -0.000 0.000 0.226 190 D C -1.165 175.077 176.300 -0.096 0.000 1.076 190 D CA -2.408 51.545 54.000 -0.079 0.000 0.849 190 D CB 1.927 42.691 40.800 -0.060 0.000 1.052 190 D HN 0.075 nan 8.370 nan 0.000 0.515 191 P HA -0.092 nan 4.420 nan 0.000 0.231 191 P C 0.456 177.662 177.300 -0.157 0.000 1.158 191 P CA 0.613 63.591 63.100 -0.204 0.000 0.763 191 P CB 0.360 31.812 31.700 -0.414 0.000 0.805 192 K N -0.922 119.406 120.400 -0.121 0.000 2.374 192 K HA 0.130 4.450 4.320 -0.000 0.000 0.196 192 K C 0.181 176.746 176.600 -0.057 0.000 1.023 192 K CA 0.440 56.678 56.287 -0.082 0.000 1.103 192 K CB 0.370 32.822 32.500 -0.082 0.000 0.848 192 K HN -0.002 nan 8.250 nan 0.000 0.528 193 T N 1.304 115.828 114.554 -0.049 0.000 3.630 193 T HA 0.132 4.482 4.350 -0.000 0.000 0.238 193 T C -0.664 174.028 174.700 -0.012 0.000 1.195 193 T CA -0.484 61.590 62.100 -0.043 0.000 1.433 193 T CB 0.552 69.386 68.868 -0.057 0.000 0.940 193 T HN -0.010 nan 8.240 nan 0.000 0.641 194 V N -0.584 119.349 119.914 0.032 0.000 2.513 194 V HA 0.851 4.971 4.120 -0.000 0.000 0.299 194 V C -0.461 175.714 176.094 0.135 0.000 1.035 194 V CA -0.314 62.035 62.300 0.081 0.000 0.889 194 V CB 1.965 33.855 31.823 0.112 0.000 0.988 194 V HN 0.287 nan 8.190 nan 0.000 0.440 195 T N 7.421 122.047 114.554 0.121 0.000 2.779 195 T HA 0.595 4.945 4.350 -0.000 0.000 0.280 195 T C -0.081 174.741 174.700 0.203 0.000 0.987 195 T CA -0.199 61.997 62.100 0.160 0.000 0.966 195 T CB 0.852 69.772 68.868 0.087 0.000 0.933 195 T HN 0.934 nan 8.240 nan 0.000 0.442 196 I N 2.093 122.772 120.570 0.181 0.000 2.331 196 I HA 0.803 4.973 4.170 -0.000 0.000 0.292 196 I C -0.864 175.415 176.117 0.270 0.000 0.998 196 I CA -0.903 60.475 61.300 0.130 0.000 1.267 196 I CB 0.568 38.432 38.000 -0.227 0.000 1.386 196 I HN 0.435 nan 8.210 nan 0.000 0.476 197 F N 3.776 123.750 119.950 0.039 0.000 2.578 197 F HA 1.018 5.545 4.527 -0.000 0.000 0.311 197 F C -0.336 175.396 175.800 -0.114 0.000 1.094 197 F CA -1.539 56.511 58.000 0.083 0.000 0.923 197 F CB 1.367 40.547 39.000 0.300 0.000 1.230 197 F HN 0.775 nan 8.300 nan 0.000 0.450 198 G N 1.323 109.939 108.800 -0.306 0.000 2.660 198 G HA2 0.494 4.453 3.960 -0.000 0.000 0.290 198 G HA3 0.494 4.453 3.960 -0.000 0.000 0.290 198 G C -2.458 172.184 174.900 -0.430 0.000 1.432 198 G CA -0.805 43.746 45.100 -0.916 0.000 0.807 198 G HN 0.846 nan 8.290 nan 0.000 0.485 199 E N 0.325 120.242 120.200 -0.472 0.000 2.212 199 E HA 0.636 4.986 4.350 -0.000 0.000 0.268 199 E C 0.669 177.185 176.600 -0.139 0.000 0.902 199 E CA 0.178 56.527 56.400 -0.084 0.000 0.779 199 E CB 2.064 31.859 29.700 0.158 0.000 1.172 199 E HN 0.674 nan 8.360 nan 0.000 0.409 200 S N 2.332 118.022 115.700 -0.018 0.000 4.114 200 S HA -0.385 4.085 4.470 -0.000 0.000 0.618 200 S C 1.425 176.041 174.600 0.027 0.000 1.937 200 S CA 1.875 60.118 58.200 0.071 0.000 4.228 200 S CB -1.572 61.601 63.200 -0.044 0.000 0.216 200 S HN 0.926 nan 8.310 nan 0.000 0.528 201 A N 0.835 123.528 122.820 -0.212 0.000 2.076 201 A HA 0.115 4.435 4.320 -0.000 0.000 0.220 201 A C 2.274 179.553 177.584 -0.507 0.000 1.160 201 A CA 2.409 54.105 52.037 -0.569 0.000 0.653 201 A CB -1.345 16.940 19.000 -1.192 0.000 0.801 201 A HN 1.456 nan 8.150 nan 0.000 0.455 202 G N -1.001 107.582 108.800 -0.362 0.000 2.464 202 G HA2 0.156 4.116 3.960 -0.000 0.000 0.217 202 G HA3 0.156 4.116 3.960 -0.000 0.000 0.217 202 G C 1.359 176.066 174.900 -0.322 0.000 1.138 202 G CA 1.038 45.889 45.100 -0.416 0.000 0.793 202 G HN 0.641 nan 8.290 nan 0.000 0.539 203 G N 0.752 109.431 108.800 -0.201 0.000 2.430 203 G HA2 0.198 4.158 3.960 -0.000 0.000 0.216 203 G HA3 0.198 4.158 3.960 -0.000 0.000 0.216 203 G C 1.893 176.691 174.900 -0.171 0.000 1.146 203 G CA 1.255 46.273 45.100 -0.136 0.000 0.793 203 G HN 0.523 nan 8.290 nan 0.000 0.537 204 A N 0.832 123.568 122.820 -0.140 0.000 1.930 204 A HA 0.130 4.450 4.320 -0.000 0.000 0.215 204 A C 2.650 180.163 177.584 -0.118 0.000 1.176 204 A CA 1.954 53.886 52.037 -0.174 0.000 0.632 204 A CB -0.463 18.458 19.000 -0.131 0.000 0.819 204 A HN 0.258 nan 8.150 nan 0.000 0.445 205 S N -0.205 115.441 115.700 -0.089 0.000 2.368 205 S HA -0.145 4.325 4.470 -0.000 0.000 0.225 205 S C 1.905 176.443 174.600 -0.104 0.000 1.030 205 S CA 1.461 59.611 58.200 -0.083 0.000 0.999 205 S CB -0.497 62.604 63.200 -0.164 0.000 0.844 205 S HN 0.330 nan 8.310 nan 0.000 0.459 206 V N 1.676 121.519 119.914 -0.118 0.000 2.287 206 V HA -0.191 3.929 4.120 -0.000 0.000 0.248 206 V C 2.623 178.670 176.094 -0.078 0.000 1.053 206 V CA 2.060 64.302 62.300 -0.098 0.000 1.027 206 V CB -1.470 30.275 31.823 -0.130 0.000 0.646 206 V HN 0.604 nan 8.190 nan 0.000 0.447 207 G N -1.014 107.677 108.800 -0.182 0.000 2.422 207 G HA2 -0.263 3.696 3.960 -0.000 0.000 0.218 207 G HA3 -0.263 3.696 3.960 -0.000 0.000 0.218 207 G C 1.591 176.481 174.900 -0.017 0.000 1.146 207 G CA 0.985 45.943 45.100 -0.237 0.000 0.769 207 G HN 0.458 nan 8.290 nan 0.000 0.547 208 M N -0.157 119.445 119.600 0.003 0.000 2.296 208 M HA 0.006 4.486 4.480 -0.000 0.000 0.265 208 M C 2.186 178.614 176.300 0.212 0.000 1.064 208 M CA 0.813 56.254 55.300 0.236 0.000 1.109 208 M CB -0.210 32.554 32.600 0.274 0.000 1.396 208 M HN 0.191 nan 8.290 nan 0.000 0.430 209 H N -0.258 118.942 119.070 0.217 0.000 2.470 209 H HA 0.097 4.653 4.556 -0.000 0.000 0.289 209 H C 2.047 177.592 175.328 0.361 0.000 1.033 209 H CA 1.142 57.304 56.048 0.189 0.000 1.331 209 H CB -0.051 29.662 29.762 -0.082 0.000 1.414 209 H HN 0.403 nan 8.280 nan 0.000 0.545 210 I N 0.574 121.424 120.570 0.467 0.000 2.493 210 I HA -0.206 3.963 4.170 -0.000 0.000 0.254 210 I C 1.887 178.259 176.117 0.425 0.000 1.160 210 I CA 0.806 62.419 61.300 0.523 0.000 1.445 210 I CB 0.038 38.282 38.000 0.407 0.000 1.086 210 I HN 0.122 nan 8.210 nan 0.000 0.433 211 L N -1.056 120.385 121.223 0.363 0.000 2.298 211 L HA 0.068 4.408 4.340 -0.000 0.000 0.209 211 L C 1.417 178.425 176.870 0.230 0.000 1.084 211 L CA 0.120 55.173 54.840 0.355 0.000 0.816 211 L CB -0.157 42.141 42.059 0.399 0.000 0.967 211 L HN 0.014 nan 8.230 nan 0.000 0.460 212 S N 0.353 116.111 115.700 0.098 0.000 2.448 212 S HA 0.172 4.642 4.470 -0.000 0.000 0.279 212 S C -1.544 172.956 174.600 -0.167 0.000 1.195 212 S CA -1.418 56.639 58.200 -0.238 0.000 1.051 212 S CB 0.978 63.588 63.200 -0.984 0.000 0.948 212 S HN -0.112 nan 8.310 nan 0.000 0.493 213 P HA -0.095 nan 4.420 nan 0.000 0.216 213 P C 1.421 178.650 177.300 -0.117 0.000 1.154 213 P CA 1.313 64.357 63.100 -0.093 0.000 0.865 213 P CB -0.086 31.563 31.700 -0.085 0.000 0.789 214 G N -1.803 106.875 108.800 -0.203 0.000 2.625 214 G HA2 -0.128 3.832 3.960 -0.000 0.000 0.214 214 G HA3 -0.128 3.832 3.960 -0.000 0.000 0.214 214 G C 1.321 176.155 174.900 -0.110 0.000 1.132 214 G CA 0.610 45.609 45.100 -0.168 0.000 0.782 214 G HN 0.242 nan 8.290 nan 0.000 0.538 215 S N -0.663 115.001 115.700 -0.060 0.000 2.514 215 S HA 0.136 4.606 4.470 -0.000 0.000 0.223 215 S C 2.153 176.910 174.600 0.263 0.000 1.046 215 S CA -0.442 57.835 58.200 0.129 0.000 0.914 215 S CB 0.200 63.608 63.200 0.347 0.000 0.807 215 S HN 0.316 nan 8.310 nan 0.000 0.497 216 R N 1.982 122.569 120.500 0.146 0.000 2.159 216 R HA -0.153 4.187 4.340 -0.000 0.000 0.252 216 R C 0.639 176.772 176.300 -0.278 0.000 1.144 216 R CA 1.857 57.927 56.100 -0.050 0.000 0.961 216 R CB -0.437 29.835 30.300 -0.047 0.000 0.877 216 R HN 0.374 nan 8.270 nan 0.000 0.444 217 D N 0.182 120.505 120.400 -0.129 0.000 2.328 217 D HA 0.003 4.643 4.640 -0.000 0.000 0.226 217 D C 1.160 177.437 176.300 -0.039 0.000 1.066 217 D CA 0.508 54.435 54.000 -0.122 0.000 0.861 217 D CB 0.261 41.011 40.800 -0.084 0.000 0.912 217 D HN 0.295 nan 8.370 nan 0.000 0.521 218 L N -0.116 121.139 121.223 0.053 0.000 2.607 218 L HA 0.152 4.492 4.340 -0.000 0.000 0.228 218 L C 0.016 177.088 176.870 0.337 0.000 1.123 218 L CA 0.030 54.988 54.840 0.196 0.000 0.890 218 L CB -0.057 42.099 42.059 0.161 0.000 1.103 218 L HN -0.071 nan 8.230 nan 0.000 0.468 219 F N -4.086 115.890 119.950 0.044 0.000 2.668 219 F HA 0.597 5.124 4.527 -0.000 0.000 0.309 219 F C 0.430 176.256 175.800 0.043 0.000 1.117 219 F CA -1.457 56.568 58.000 0.041 0.000 0.951 219 F CB 1.210 40.232 39.000 0.036 0.000 1.323 219 F HN -0.380 nan 8.300 nan 0.000 0.451 220 R N 0.845 121.396 120.500 0.085 0.000 2.074 220 R HA 0.441 4.781 4.340 -0.000 0.000 0.218 220 R C 0.072 176.391 176.300 0.032 0.000 1.137 220 R CA 1.102 57.188 56.100 -0.025 0.000 0.998 220 R CB 0.250 30.538 30.300 -0.021 0.000 0.895 220 R HN 0.791 nan 8.270 nan 0.000 0.442 221 R N -1.371 119.235 120.500 0.177 0.000 2.905 221 R HA 0.751 5.091 4.340 -0.000 0.000 0.260 221 R C -1.426 175.124 176.300 0.416 0.000 1.086 221 R CA -0.740 55.493 56.100 0.221 0.000 0.978 221 R CB 2.132 32.403 30.300 -0.049 0.000 1.215 221 R HN 0.206 nan 8.270 nan 0.000 0.480 222 A N 1.158 124.236 122.820 0.430 0.000 2.486 222 A HA 0.684 5.004 4.320 -0.000 0.000 0.300 222 A C -1.135 176.563 177.584 0.190 0.000 1.048 222 A CA -0.623 51.598 52.037 0.306 0.000 0.696 222 A CB 1.287 20.436 19.000 0.249 0.000 1.278 222 A HN 0.556 nan 8.150 nan 0.000 0.405 223 I N 2.092 122.731 120.570 0.116 0.000 2.447 223 I HA 0.359 4.529 4.170 -0.000 0.000 0.287 223 I C -1.493 174.673 176.117 0.083 0.000 1.023 223 I CA -0.596 60.696 61.300 -0.012 0.000 1.083 223 I CB 1.858 39.835 38.000 -0.037 0.000 1.245 223 I HN 0.430 nan 8.210 nan 0.000 0.434 224 L N 6.696 127.939 121.223 0.033 0.000 2.325 224 L HA 0.442 4.782 4.340 -0.000 0.000 0.281 224 L C -0.478 176.478 176.870 0.142 0.000 1.004 224 L CA -0.222 54.637 54.840 0.033 0.000 0.823 224 L CB 1.651 43.656 42.059 -0.091 0.000 1.236 224 L HN 0.493 nan 8.230 nan 0.000 0.415 225 Q N 1.847 121.773 119.800 0.211 0.000 2.348 225 Q HA 0.493 4.833 4.340 -0.000 0.000 0.265 225 Q C 0.023 176.148 176.000 0.209 0.000 0.998 225 Q CA -0.597 55.407 55.803 0.335 0.000 0.831 225 Q CB 1.597 30.638 28.738 0.505 0.000 1.251 225 Q HN 0.629 nan 8.270 nan 0.000 0.456 226 S N 0.821 116.638 115.700 0.195 0.000 3.614 226 S HA -0.177 4.293 4.470 -0.000 0.000 0.360 226 S C 0.061 174.815 174.600 0.258 0.000 1.023 226 S CA 0.585 58.923 58.200 0.230 0.000 1.114 226 S CB -1.214 62.149 63.200 0.271 0.000 0.907 226 S HN 0.962 nan 8.310 nan 0.000 0.470 227 G N -0.867 108.018 108.800 0.141 0.000 2.632 227 G HA2 0.657 4.617 3.960 -0.000 0.000 0.292 227 G HA3 0.657 4.617 3.960 -0.000 0.000 0.292 227 G C -1.290 173.558 174.900 -0.087 0.000 1.465 227 G CA 0.206 45.390 45.100 0.140 0.000 0.824 227 G HN 0.667 nan 8.290 nan 0.000 0.509 228 S N 0.190 115.760 115.700 -0.216 0.000 2.543 228 S HA 0.697 5.167 4.470 -0.000 0.000 0.274 228 S C -1.954 172.353 174.600 -0.489 0.000 1.149 228 S CA -0.696 57.239 58.200 -0.442 0.000 0.866 228 S CB 2.353 65.339 63.200 -0.358 0.000 1.111 228 S HN 0.357 nan 8.310 nan 0.000 0.457 229 P HA -0.120 nan 4.420 nan 0.000 0.218 229 P C 0.628 177.702 177.300 -0.377 0.000 1.148 229 P CA 1.331 64.194 63.100 -0.395 0.000 0.822 229 P CB -0.283 31.221 31.700 -0.326 0.000 0.784 230 N N -0.805 117.702 118.700 -0.322 0.000 2.370 230 N HA -0.017 4.723 4.740 -0.000 0.000 0.198 230 N C -0.032 175.245 175.510 -0.387 0.000 1.156 230 N CA -0.198 52.694 53.050 -0.263 0.000 0.839 230 N CB -1.355 37.095 38.487 -0.062 0.000 0.989 230 N HN 0.034 nan 8.380 nan 0.000 0.468 231 C N 3.186 122.124 119.300 -0.604 0.000 2.596 231 C HA 0.073 4.533 4.460 -0.000 0.000 0.414 231 C C -0.209 174.272 174.990 -0.849 0.000 1.396 231 C CA -0.915 57.570 59.018 -0.888 0.000 1.698 231 C CB 0.835 27.589 27.740 -1.642 0.000 2.572 231 C HN 0.366 nan 8.230 nan 0.000 0.604 232 P HA -0.147 nan 4.420 nan 0.000 0.219 232 P C 1.116 178.297 177.300 -0.198 0.000 1.144 232 P CA 1.952 64.860 63.100 -0.320 0.000 0.806 232 P CB -0.089 31.467 31.700 -0.241 0.000 0.771 233 W N -1.906 119.329 121.300 -0.108 0.000 3.177 233 W HA 0.603 5.263 4.660 -0.000 0.000 0.309 233 W C 0.994 177.617 176.519 0.173 0.000 1.224 233 W CA 0.296 57.657 57.345 0.026 0.000 1.718 233 W CB -0.802 28.701 29.460 0.073 0.000 1.078 233 W HN -0.125 nan 8.180 nan 0.000 0.618 234 A N 1.538 124.118 122.820 -0.400 0.000 2.251 234 A HA 0.292 4.612 4.320 -0.000 0.000 0.209 234 A C 0.741 178.208 177.584 -0.195 0.000 1.187 234 A CA 0.899 52.832 52.037 -0.172 0.000 0.823 234 A CB -0.597 18.029 19.000 -0.624 0.000 0.846 234 A HN 0.216 nan 8.150 nan 0.000 0.486 235 S N -1.646 113.934 115.700 -0.201 0.000 2.565 235 S HA 0.549 5.019 4.470 -0.000 0.000 0.274 235 S C -0.854 173.654 174.600 -0.154 0.000 1.144 235 S CA -0.147 57.910 58.200 -0.239 0.000 0.849 235 S CB 0.966 63.962 63.200 -0.339 0.000 1.103 235 S HN 1.273 nan 8.310 nan 0.000 0.455 236 V N -0.507 119.328 119.914 -0.132 0.000 3.074 236 V HA 0.968 5.088 4.120 -0.000 0.000 0.314 236 V C 0.325 176.370 176.094 -0.082 0.000 1.117 236 V CA -0.475 61.774 62.300 -0.084 0.000 1.014 236 V CB 1.227 33.014 31.823 -0.060 0.000 1.057 236 V HN 1.496 nan 8.190 nan 0.000 0.438 237 S N 0.603 116.267 115.700 -0.061 0.000 2.603 237 S HA 0.328 4.798 4.470 -0.000 0.000 0.268 237 S C 1.245 175.814 174.600 -0.051 0.000 1.317 237 S CA -0.036 58.129 58.200 -0.058 0.000 1.012 237 S CB 1.248 64.424 63.200 -0.040 0.000 0.926 237 S HN 1.968 nan 8.310 nan 0.000 0.539 238 V N -0.862 119.009 119.914 -0.072 0.000 2.594 238 V HA -0.033 4.087 4.120 -0.000 0.000 0.253 238 V C 2.505 178.598 176.094 -0.001 0.000 1.069 238 V CA 1.623 63.883 62.300 -0.066 0.000 1.082 238 V CB -2.136 29.578 31.823 -0.181 0.000 0.680 238 V HN 0.992 nan 8.190 nan 0.000 0.469 239 A N 0.959 123.777 122.820 -0.004 0.000 1.845 239 A HA -0.227 4.093 4.320 -0.000 0.000 0.215 239 A C 2.238 179.823 177.584 0.001 0.000 1.195 239 A CA 2.037 54.079 52.037 0.008 0.000 0.616 239 A CB -0.805 18.198 19.000 0.004 0.000 0.832 239 A HN 0.607 nan 8.150 nan 0.000 0.443 240 E N 0.083 120.275 120.200 -0.014 0.000 2.130 240 E HA -0.097 4.253 4.350 -0.000 0.000 0.196 240 E C 1.892 178.481 176.600 -0.019 0.000 0.998 240 E CA 1.709 58.092 56.400 -0.029 0.000 0.806 240 E CB -0.785 28.890 29.700 -0.042 0.000 0.738 240 E HN 0.439 nan 8.360 nan 0.000 0.459 241 G N 0.487 109.289 108.800 0.004 0.000 2.418 241 G HA2 -0.339 3.621 3.960 -0.000 0.000 0.217 241 G HA3 -0.339 3.621 3.960 -0.000 0.000 0.217 241 G C 1.724 176.665 174.900 0.068 0.000 1.158 241 G CA 0.850 45.978 45.100 0.046 0.000 0.771 241 G HN 0.337 nan 8.290 nan 0.000 0.545 242 R N 0.382 120.911 120.500 0.049 0.000 2.066 242 R HA 0.019 4.359 4.340 -0.000 0.000 0.232 242 R C 2.546 178.864 176.300 0.029 0.000 1.131 242 R CA 1.350 57.476 56.100 0.044 0.000 0.955 242 R CB -0.425 29.901 30.300 0.043 0.000 0.851 242 R HN 0.321 nan 8.270 nan 0.000 0.432 243 R N 0.564 121.072 120.500 0.012 0.000 2.112 243 R HA -0.190 4.150 4.340 -0.000 0.000 0.242 243 R C 2.260 178.558 176.300 -0.003 0.000 1.137 243 R CA 2.211 58.308 56.100 -0.005 0.000 0.944 243 R CB -0.206 30.078 30.300 -0.026 0.000 0.857 243 R HN 0.288 nan 8.270 nan 0.000 0.435 244 R N -0.267 120.230 120.500 -0.006 0.000 2.096 244 R HA -0.072 4.268 4.340 -0.000 0.000 0.235 244 R C 2.384 178.768 176.300 0.139 0.000 1.127 244 R CA 1.246 57.340 56.100 -0.010 0.000 0.968 244 R CB -0.341 29.876 30.300 -0.139 0.000 0.861 244 R HN 0.322 nan 8.270 nan 0.000 0.440 245 A N 0.713 123.638 122.820 0.174 0.000 1.933 245 A HA -0.107 4.213 4.320 -0.000 0.000 0.218 245 A C 2.315 179.925 177.584 0.042 0.000 1.175 245 A CA 1.335 53.450 52.037 0.131 0.000 0.628 245 A CB -0.380 18.636 19.000 0.026 0.000 0.814 245 A HN 0.119 nan 8.150 nan 0.000 0.444 246 V N -0.265 119.665 119.914 0.027 0.000 2.453 246 V HA -0.162 3.958 4.120 -0.000 0.000 0.247 246 V C 2.503 178.608 176.094 0.018 0.000 1.048 246 V CA 2.160 64.465 62.300 0.008 0.000 1.049 246 V CB -0.527 31.298 31.823 0.003 0.000 0.672 246 V HN 0.673 nan 8.190 nan 0.000 0.457 247 E N 0.373 120.588 120.200 0.025 0.000 2.150 247 E HA -0.189 4.161 4.350 -0.000 0.000 0.193 247 E C 1.891 178.518 176.600 0.046 0.000 0.985 247 E CA 0.909 57.321 56.400 0.020 0.000 0.814 247 E CB -0.304 29.393 29.700 -0.005 0.000 0.752 247 E HN 0.445 nan 8.360 nan 0.000 0.466 248 L N -0.437 120.840 121.223 0.090 0.000 2.093 248 L HA 0.068 4.408 4.340 -0.000 0.000 0.208 248 L C 2.105 179.012 176.870 0.060 0.000 1.085 248 L CA 2.257 57.169 54.840 0.120 0.000 0.755 248 L CB -0.872 41.314 42.059 0.211 0.000 0.904 248 L HN 0.221 nan 8.230 nan 0.000 0.435 249 G N -1.163 107.656 108.800 0.031 0.000 2.421 249 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.217 249 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.217 249 G C 1.807 176.721 174.900 0.023 0.000 1.143 249 G CA 0.578 45.687 45.100 0.015 0.000 0.784 249 G HN 0.351 nan 8.290 nan 0.000 0.541 250 R N 0.346 120.860 120.500 0.023 0.000 2.066 250 R HA -0.022 4.318 4.340 -0.000 0.000 0.232 250 R C 2.200 178.517 176.300 0.029 0.000 1.131 250 R CA 1.076 57.189 56.100 0.022 0.000 0.955 250 R CB -0.346 29.964 30.300 0.017 0.000 0.851 250 R HN 0.228 nan 8.270 nan 0.000 0.432 251 N N 0.511 119.232 118.700 0.036 0.000 2.513 251 N HA -0.144 4.596 4.740 -0.000 0.000 0.187 251 N C 0.768 176.307 175.510 0.048 0.000 1.056 251 N CA 0.929 54.006 53.050 0.044 0.000 0.907 251 N CB 0.143 38.663 38.487 0.055 0.000 0.954 251 N HN 0.307 nan 8.380 nan 0.000 0.445 252 L N -0.343 120.907 121.223 0.045 0.000 3.014 252 L HA 0.188 4.528 4.340 -0.000 0.000 0.263 252 L C -0.080 176.815 176.870 0.041 0.000 1.207 252 L CA -0.180 54.688 54.840 0.048 0.000 1.017 252 L CB 0.081 42.171 42.059 0.052 0.000 1.360 252 L HN -0.068 nan 8.230 nan 0.000 0.560 253 N N -0.572 118.149 118.700 0.035 0.000 2.747 253 N HA -0.178 4.562 4.740 -0.000 0.000 0.249 253 N C -0.140 175.389 175.510 0.032 0.000 1.107 253 N CA 0.457 53.526 53.050 0.031 0.000 0.707 253 N CB -1.384 37.123 38.487 0.033 0.000 1.054 253 N HN 0.297 nan 8.380 nan 0.000 0.555 254 c N 0.587 119.205 118.600 0.030 0.000 2.539 254 c HA 0.250 4.820 4.570 -0.000 0.000 0.392 254 c C 1.090 175.194 174.090 0.023 0.000 1.269 254 c CA -1.066 55.281 56.329 0.030 0.000 2.250 254 c CB 0.544 43.069 42.510 0.025 0.000 2.584 254 c HN 0.429 nan 8.230 nan 0.000 0.589 255 N N 2.398 121.113 118.700 0.025 0.000 2.452 255 N HA 0.081 4.821 4.740 -0.000 0.000 0.266 255 N C 0.061 175.575 175.510 0.008 0.000 1.209 255 N CA 0.252 53.311 53.050 0.014 0.000 0.929 255 N CB 0.443 38.937 38.487 0.011 0.000 1.063 255 N HN 0.628 nan 8.380 nan 0.000 0.472 256 L N 3.219 124.444 121.223 0.003 0.000 2.791 256 L HA 0.165 4.505 4.340 -0.000 0.000 0.239 256 L C 1.542 178.409 176.870 -0.004 0.000 1.203 256 L CA -0.200 54.639 54.840 -0.001 0.000 1.002 256 L CB -0.432 41.627 42.059 0.001 0.000 1.295 256 L HN 0.544 nan 8.230 nan 0.000 0.504 257 N N 0.725 119.422 118.700 -0.006 0.000 2.006 257 N HA -0.132 4.607 4.740 -0.000 0.000 0.196 257 N C 0.733 176.237 175.510 -0.010 0.000 1.057 257 N CA 1.686 54.731 53.050 -0.008 0.000 0.853 257 N CB 0.142 38.622 38.487 -0.012 0.000 1.051 257 N HN 0.365 nan 8.380 nan 0.000 0.423 258 S N -0.896 114.796 115.700 -0.013 0.000 2.632 258 S HA 0.293 4.763 4.470 -0.000 0.000 0.289 258 S C -0.088 174.502 174.600 -0.018 0.000 1.115 258 S CA -0.951 57.240 58.200 -0.014 0.000 0.889 258 S CB 2.049 65.240 63.200 -0.015 0.000 1.116 258 S HN -0.024 nan 8.310 nan 0.000 0.486 259 D N 1.060 121.447 120.400 -0.022 0.000 2.158 259 D HA -0.117 4.523 4.640 -0.000 0.000 0.197 259 D C 1.470 177.753 176.300 -0.028 0.000 0.995 259 D CA 1.668 55.648 54.000 -0.033 0.000 0.846 259 D CB -0.200 40.579 40.800 -0.035 0.000 0.941 259 D HN 0.696 nan 8.370 nan 0.000 0.456 260 E N 0.713 120.905 120.200 -0.013 0.000 2.110 260 E HA -0.132 4.218 4.350 -0.000 0.000 0.193 260 E C 2.030 178.645 176.600 0.025 0.000 0.988 260 E CA 0.849 57.252 56.400 0.005 0.000 0.804 260 E CB -0.072 29.628 29.700 0.002 0.000 0.745 260 E HN 0.452 nan 8.360 nan 0.000 0.458 261 E N -0.095 120.108 120.200 0.005 0.000 2.112 261 E HA -0.111 4.239 4.350 -0.000 0.000 0.190 261 E C 2.052 178.674 176.600 0.037 0.000 0.979 261 E CA 0.447 56.855 56.400 0.014 0.000 0.814 261 E CB -0.095 29.598 29.700 -0.013 0.000 0.762 261 E HN 0.128 nan 8.360 nan 0.000 0.460 262 L N 1.375 122.598 121.223 0.000 0.000 2.083 262 L HA -0.152 4.188 4.340 -0.000 0.000 0.209 262 L C 2.048 178.891 176.870 -0.046 0.000 1.083 262 L CA 1.507 56.333 54.840 -0.023 0.000 0.752 262 L CB -0.150 41.877 42.059 -0.053 0.000 0.899 262 L HN 0.071 nan 8.230 nan 0.000 0.433 263 I N -1.460 119.078 120.570 -0.054 0.000 2.286 263 I HA -0.257 3.913 4.170 -0.000 0.000 0.245 263 I C 2.508 178.653 176.117 0.047 0.000 1.104 263 I CA 1.114 62.362 61.300 -0.086 0.000 1.397 263 I CB -0.684 37.261 38.000 -0.090 0.000 1.072 263 I HN 0.411 nan 8.210 nan 0.000 0.417 264 H N 0.524 119.595 119.070 0.002 0.000 2.421 264 H HA -0.229 4.327 4.556 -0.000 0.000 0.298 264 H C 2.364 177.717 175.328 0.042 0.000 1.087 264 H CA 1.998 58.065 56.048 0.031 0.000 1.330 264 H CB -0.007 29.767 29.762 0.019 0.000 1.388 264 H HN 0.464 nan 8.280 nan 0.000 0.526 265 c N 0.618 119.316 118.600 0.164 0.000 2.496 265 c HA -0.089 4.481 4.570 -0.000 0.000 0.281 265 c C 3.056 177.187 174.090 0.068 0.000 1.250 265 c CA 0.811 57.208 56.329 0.114 0.000 1.717 265 c CB -1.284 41.277 42.510 0.085 0.000 2.082 265 c HN 0.575 nan 8.230 nan 0.000 0.472 266 L N 0.547 121.808 121.223 0.063 0.000 2.081 266 L HA -0.190 4.150 4.340 -0.000 0.000 0.212 266 L C 2.893 179.887 176.870 0.206 0.000 1.080 266 L CA 1.813 56.722 54.840 0.115 0.000 0.754 266 L CB -0.754 41.334 42.059 0.049 0.000 0.893 266 L HN 0.411 nan 8.230 nan 0.000 0.433 267 R N -0.200 120.411 120.500 0.184 0.000 2.237 267 R HA -0.125 4.215 4.340 -0.000 0.000 0.219 267 R C 1.928 178.245 176.300 0.027 0.000 1.080 267 R CA 0.866 57.049 56.100 0.137 0.000 0.995 267 R CB -0.070 30.276 30.300 0.077 0.000 0.875 267 R HN 0.486 nan 8.270 nan 0.000 0.462 268 E N 0.093 120.291 120.200 -0.002 0.000 2.250 268 E HA 0.011 4.361 4.350 -0.000 0.000 0.192 268 E C -0.031 176.588 176.600 0.032 0.000 0.986 268 E CA 0.173 56.566 56.400 -0.011 0.000 0.849 268 E CB 0.388 30.071 29.700 -0.028 0.000 0.797 268 E HN 0.036 nan 8.360 nan 0.000 0.482 269 K N 2.101 122.537 120.400 0.060 0.000 2.414 269 K HA 0.066 4.386 4.320 -0.000 0.000 0.272 269 K C -0.018 176.632 176.600 0.083 0.000 0.993 269 K CA 0.344 56.675 56.287 0.073 0.000 0.964 269 K CB 0.469 33.022 32.500 0.089 0.000 0.925 269 K HN -0.019 nan 8.250 nan 0.000 0.487 270 K N 3.003 123.448 120.400 0.075 0.000 2.326 270 K HA 0.018 4.338 4.320 -0.000 0.000 0.275 270 K C -1.583 175.090 176.600 0.122 0.000 1.018 270 K CA -1.455 54.876 56.287 0.072 0.000 0.962 270 K CB 0.285 32.816 32.500 0.053 0.000 0.953 270 K HN 0.209 nan 8.250 nan 0.000 0.475 271 P HA -0.301 nan 4.420 nan 0.000 0.218 271 P C 1.123 178.590 177.300 0.278 0.000 1.165 271 P CA 1.430 64.671 63.100 0.235 0.000 0.922 271 P CB 0.221 31.905 31.700 -0.027 0.000 0.794 272 Q N -0.167 119.727 119.800 0.157 0.000 2.234 272 Q HA -0.205 4.135 4.340 -0.000 0.000 0.206 272 Q C 1.949 178.045 176.000 0.159 0.000 0.980 272 Q CA 1.668 57.562 55.803 0.152 0.000 0.869 272 Q CB -0.819 27.976 28.738 0.096 0.000 0.912 272 Q HN 0.378 nan 8.270 nan 0.000 0.436 273 E N -0.946 119.338 120.200 0.140 0.000 2.110 273 E HA -0.181 4.169 4.350 -0.000 0.000 0.193 273 E C 1.561 178.240 176.600 0.131 0.000 0.988 273 E CA 0.915 57.388 56.400 0.122 0.000 0.804 273 E CB -0.014 29.746 29.700 0.100 0.000 0.745 273 E HN 0.244 nan 8.360 nan 0.000 0.458 274 L N 0.534 121.846 121.223 0.149 0.000 2.131 274 L HA -0.074 4.266 4.340 -0.000 0.000 0.206 274 L C 2.070 179.019 176.870 0.132 0.000 1.087 274 L CA 1.192 56.091 54.840 0.098 0.000 0.767 274 L CB -0.207 41.842 42.059 -0.017 0.000 0.917 274 L HN 0.129 nan 8.230 nan 0.000 0.441 275 I N -0.628 120.070 120.570 0.214 0.000 2.252 275 I HA -0.272 3.898 4.170 -0.000 0.000 0.245 275 I C 1.780 178.063 176.117 0.277 0.000 1.102 275 I CA 1.065 62.525 61.300 0.267 0.000 1.385 275 I CB -0.473 37.728 38.000 0.334 0.000 1.064 275 I HN 0.204 nan 8.210 nan 0.000 0.414 276 D N 0.557 121.102 120.400 0.241 0.000 2.265 276 D HA -0.130 4.510 4.640 -0.000 0.000 0.208 276 D C 1.883 178.307 176.300 0.208 0.000 0.977 276 D CA 1.379 55.520 54.000 0.236 0.000 0.871 276 D CB -0.059 40.844 40.800 0.171 0.000 0.925 276 D HN 0.408 nan 8.370 nan 0.000 0.485 277 V N -2.875 117.139 119.914 0.168 0.000 3.528 277 V HA 0.194 4.314 4.120 -0.000 0.000 0.294 277 V C 1.789 177.953 176.094 0.117 0.000 1.404 277 V CA -0.053 62.329 62.300 0.137 0.000 1.065 277 V CB 0.285 32.173 31.823 0.109 0.000 0.904 277 V HN -0.076 nan 8.190 nan 0.000 0.435 278 E N 1.013 121.270 120.200 0.095 0.000 2.068 278 E HA -0.286 4.064 4.350 -0.000 0.000 0.207 278 E C 1.570 178.052 176.600 -0.196 0.000 1.032 278 E CA 2.870 59.250 56.400 -0.034 0.000 0.839 278 E CB -0.256 29.321 29.700 -0.206 0.000 0.758 278 E HN 0.818 nan 8.360 nan 0.000 0.457 279 W N 0.831 122.076 121.300 -0.092 0.000 2.721 279 W HA -0.012 4.648 4.660 -0.000 0.000 0.245 279 W C 1.798 178.245 176.519 -0.120 0.000 1.276 279 W CA 0.128 57.380 57.345 -0.156 0.000 1.342 279 W CB -0.162 29.168 29.460 -0.216 0.000 1.135 279 W HN 0.134 nan 8.180 nan 0.000 0.654 280 N N 0.306 119.067 118.700 0.101 0.000 2.309 280 N HA -0.134 4.606 4.740 -0.000 0.000 0.182 280 N C 1.877 177.379 175.510 -0.014 0.000 1.018 280 N CA 1.742 54.823 53.050 0.051 0.000 0.876 280 N CB -0.855 37.667 38.487 0.059 0.000 0.972 280 N HN 0.251 nan 8.380 nan 0.000 0.434 281 V N -1.659 118.212 119.914 -0.072 0.000 3.461 281 V HA 0.153 4.273 4.120 -0.000 0.000 0.267 281 V C 0.918 176.902 176.094 -0.183 0.000 1.186 281 V CA 0.125 62.345 62.300 -0.133 0.000 1.154 281 V CB -0.829 30.875 31.823 -0.198 0.000 0.802 281 V HN 0.027 nan 8.190 nan 0.000 0.474 282 L N 0.830 121.957 121.223 -0.160 0.000 2.483 282 L HA 0.179 4.519 4.340 -0.000 0.000 0.275 282 L C -0.669 176.046 176.870 -0.258 0.000 1.220 282 L CA -0.915 53.813 54.840 -0.187 0.000 0.833 282 L CB 0.167 42.172 42.059 -0.090 0.000 1.102 282 L HN 0.127 nan 8.230 nan 0.000 0.490 283 P HA -0.008 nan 4.420 nan 0.000 0.217 283 P C -0.678 176.124 177.300 -0.829 0.000 1.154 283 P CA 1.164 63.778 63.100 -0.810 0.000 0.841 283 P CB 0.291 31.168 31.700 -1.372 0.000 0.788 284 F N -2.044 117.884 119.950 -0.038 0.000 2.664 284 F HA 0.381 4.908 4.527 -0.000 0.000 0.329 284 F C 0.007 175.785 175.800 -0.036 0.000 1.090 284 F CA -1.553 56.428 58.000 -0.032 0.000 0.978 284 F CB 0.055 39.033 39.000 -0.038 0.000 1.378 284 F HN -0.439 nan 8.300 nan 0.000 0.495 285 D N 1.536 122.049 120.400 0.189 0.000 2.339 285 D HA 0.398 5.038 4.640 -0.000 0.000 0.256 285 D C -0.225 176.119 176.300 0.074 0.000 1.214 285 D CA 0.348 54.397 54.000 0.082 0.000 0.877 285 D CB 0.927 41.759 40.800 0.054 0.000 1.111 285 D HN 0.662 nan 8.370 nan 0.000 0.478 286 S N 1.269 116.989 115.700 0.034 0.000 2.688 286 S HA 0.727 5.197 4.470 -0.000 0.000 0.275 286 S C -0.906 173.680 174.600 -0.024 0.000 1.175 286 S CA -0.883 57.324 58.200 0.012 0.000 0.818 286 S CB 1.310 64.529 63.200 0.031 0.000 1.157 286 S HN 0.142 nan 8.310 nan 0.000 0.482 287 I N 0.805 121.366 120.570 -0.017 0.000 2.608 287 I HA 0.700 4.870 4.170 -0.000 0.000 0.295 287 I C -0.703 175.417 176.117 0.006 0.000 1.049 287 I CA -0.479 60.827 61.300 0.009 0.000 1.063 287 I CB 1.249 39.280 38.000 0.052 0.000 1.248 287 I HN 0.804 nan 8.210 nan 0.000 0.424 288 F N 5.356 125.167 119.950 -0.231 0.000 3.030 288 F HA -0.217 4.310 4.527 -0.000 0.000 0.309 288 F C -0.379 174.986 175.800 -0.726 0.000 0.941 288 F CA 0.315 57.951 58.000 -0.606 0.000 1.082 288 F CB -0.628 37.862 39.000 -0.850 0.000 1.113 288 F HN 0.459 nan 8.300 nan 0.000 0.716 289 R N 0.944 121.021 120.500 -0.705 0.000 2.548 289 R HA 0.571 4.911 4.340 -0.000 0.000 0.280 289 R C -1.139 174.755 176.300 -0.678 0.000 1.061 289 R CA -0.522 55.236 56.100 -0.570 0.000 0.915 289 R CB 1.228 31.425 30.300 -0.171 0.000 1.210 289 R HN 0.021 nan 8.270 nan 0.000 0.442 290 F N -0.444 119.648 119.950 0.237 0.000 2.551 290 F HA 0.397 4.924 4.527 -0.000 0.000 0.316 290 F C 1.596 177.329 175.800 -0.112 0.000 1.089 290 F CA -0.815 57.231 58.000 0.076 0.000 0.915 290 F CB 1.779 40.913 39.000 0.223 0.000 1.186 290 F HN 0.330 nan 8.300 nan 0.000 0.456 291 S N 0.798 116.359 115.700 -0.232 0.000 2.363 291 S HA -0.094 4.376 4.470 -0.000 0.000 0.218 291 S C 0.150 174.411 174.600 -0.565 0.000 1.035 291 S CA 1.294 59.187 58.200 -0.511 0.000 1.043 291 S CB -0.272 62.438 63.200 -0.815 0.000 0.986 291 S HN 0.354 nan 8.310 nan 0.000 0.423 292 F N 1.673 121.628 119.950 0.009 0.000 2.361 292 F HA 0.550 5.077 4.527 -0.000 0.000 0.364 292 F C 0.202 176.004 175.800 0.002 0.000 1.120 292 F CA -0.910 57.129 58.000 0.066 0.000 1.102 292 F CB 0.919 40.000 39.000 0.135 0.000 1.183 292 F HN -0.034 nan 8.300 nan 0.000 0.476 293 V N 0.950 120.838 119.914 -0.043 0.000 3.156 293 V HA 0.753 4.873 4.120 -0.000 0.000 0.310 293 V C -2.931 172.788 176.094 -0.625 0.000 1.234 293 V CA -3.329 58.586 62.300 -0.641 0.000 1.065 293 V CB 1.884 33.516 31.823 -0.317 0.000 1.088 293 V HN 0.282 nan 8.190 nan 0.000 0.451 294 P HA 0.269 nan 4.420 nan 0.000 0.266 294 P C -0.676 176.534 177.300 -0.150 0.000 1.195 294 P CA 0.250 63.118 63.100 -0.387 0.000 0.768 294 P CB 0.445 31.854 31.700 -0.484 0.000 0.838 295 V N 2.036 121.961 119.914 0.020 0.000 2.581 295 V HA 0.378 4.498 4.120 -0.000 0.000 0.303 295 V C 0.272 176.416 176.094 0.083 0.000 1.041 295 V CA -0.889 61.417 62.300 0.009 0.000 0.907 295 V CB 1.650 33.487 31.823 0.024 0.000 0.994 295 V HN 0.278 nan 8.190 nan 0.000 0.442 296 I N 4.718 125.276 120.570 -0.021 0.000 2.357 296 I HA 0.126 4.295 4.170 -0.000 0.000 0.300 296 I C 0.895 177.012 176.117 0.001 0.000 1.159 296 I CA 0.239 61.554 61.300 0.024 0.000 1.339 296 I CB -0.222 37.723 38.000 -0.092 0.000 1.458 296 I HN 0.934 nan 8.210 nan 0.000 0.577 297 D N 3.336 123.787 120.400 0.086 0.000 2.346 297 D HA 0.035 4.674 4.640 -0.000 0.000 0.206 297 D C 1.432 177.743 176.300 0.019 0.000 1.001 297 D CA 0.810 54.755 54.000 -0.092 0.000 0.871 297 D CB 0.298 41.138 40.800 0.067 0.000 0.943 297 D HN 0.634 nan 8.370 nan 0.000 0.518 298 G N 0.240 109.112 108.800 0.121 0.000 2.141 298 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.242 298 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.242 298 G C 0.636 175.610 174.900 0.125 0.000 0.982 298 G CA 0.558 45.731 45.100 0.121 0.000 0.662 298 G HN 0.472 nan 8.290 nan 0.000 0.527 299 E N -1.764 118.520 120.200 0.139 0.000 3.249 299 E HA 0.331 4.681 4.350 -0.000 0.000 0.184 299 E C 1.699 178.321 176.600 0.036 0.000 1.163 299 E CA -0.216 56.241 56.400 0.095 0.000 1.353 299 E CB -0.012 29.764 29.700 0.127 0.000 1.466 299 E HN 0.207 nan 8.360 nan 0.000 0.502 300 F N 1.004 120.880 119.950 -0.122 0.000 2.146 300 F HA 0.033 4.560 4.527 -0.000 0.000 0.298 300 F C 0.232 175.728 175.800 -0.505 0.000 1.096 300 F CA 1.071 58.855 58.000 -0.360 0.000 1.275 300 F CB 0.357 39.033 39.000 -0.541 0.000 1.008 300 F HN -0.138 nan 8.300 nan 0.000 0.480 301 F N 1.061 121.166 119.950 0.258 0.000 2.311 301 F HA 0.368 4.895 4.527 -0.000 0.000 0.371 301 F C -1.636 174.210 175.800 0.077 0.000 1.083 301 F CA -2.940 55.151 58.000 0.150 0.000 1.113 301 F CB 0.400 39.485 39.000 0.141 0.000 1.349 301 F HN -0.216 nan 8.300 nan 0.000 0.470 302 P HA -0.167 nan 4.420 nan 0.000 0.217 302 P C 0.527 177.895 177.300 0.113 0.000 1.158 302 P CA 2.091 65.255 63.100 0.107 0.000 0.887 302 P CB 0.157 31.897 31.700 0.067 0.000 0.792 303 T N -6.528 108.103 114.554 0.127 0.000 2.626 303 T HA 0.471 4.821 4.350 -0.000 0.000 0.279 303 T C -0.199 174.550 174.700 0.081 0.000 0.983 303 T CA -0.652 61.500 62.100 0.087 0.000 1.059 303 T CB 0.702 69.605 68.868 0.060 0.000 1.396 303 T HN -0.015 nan 8.240 nan 0.000 0.519 304 S N 0.029 115.751 115.700 0.036 0.000 2.568 304 S HA 0.200 4.670 4.470 -0.000 0.000 0.282 304 S C 1.472 176.075 174.600 0.005 0.000 1.338 304 S CA -0.759 57.439 58.200 -0.003 0.000 1.045 304 S CB -0.357 62.839 63.200 -0.007 0.000 0.873 304 S HN 0.649 nan 8.310 nan 0.000 0.516 305 L N 0.692 121.880 121.223 -0.058 0.000 2.042 305 L HA -0.114 4.226 4.340 -0.000 0.000 0.210 305 L C 2.890 179.792 176.870 0.053 0.000 1.076 305 L CA 1.916 56.736 54.840 -0.033 0.000 0.749 305 L CB -0.717 41.263 42.059 -0.131 0.000 0.893 305 L HN 0.781 nan 8.230 nan 0.000 0.432 306 E N 0.384 120.613 120.200 0.048 0.000 2.106 306 E HA -0.169 4.181 4.350 -0.000 0.000 0.192 306 E C 2.292 178.952 176.600 0.099 0.000 0.984 306 E CA 1.406 57.867 56.400 0.103 0.000 0.806 306 E CB -0.022 29.728 29.700 0.083 0.000 0.750 306 E HN 0.464 nan 8.360 nan 0.000 0.458 307 S N -0.372 115.369 115.700 0.068 0.000 2.368 307 S HA -0.187 4.283 4.470 -0.000 0.000 0.224 307 S C 2.141 176.784 174.600 0.073 0.000 1.029 307 S CA 1.323 59.560 58.200 0.061 0.000 0.988 307 S CB -0.379 62.846 63.200 0.042 0.000 0.838 307 S HN 0.255 nan 8.310 nan 0.000 0.462 308 M N 0.940 120.598 119.600 0.097 0.000 2.117 308 M HA 0.039 4.519 4.480 -0.000 0.000 0.262 308 M C 2.291 178.719 176.300 0.214 0.000 1.065 308 M CA 1.416 56.798 55.300 0.136 0.000 1.114 308 M CB -0.621 32.091 32.600 0.187 0.000 1.361 308 M HN 0.312 nan 8.290 nan 0.000 0.408 309 L N 0.097 121.453 121.223 0.221 0.000 2.012 309 L HA -0.277 4.063 4.340 -0.000 0.000 0.210 309 L C 2.220 179.245 176.870 0.260 0.000 1.073 309 L CA 1.122 56.117 54.840 0.258 0.000 0.748 309 L CB -0.861 41.273 42.059 0.125 0.000 0.891 309 L HN 0.398 nan 8.230 nan 0.000 0.431 310 N N -0.389 118.411 118.700 0.166 0.000 2.188 310 N HA -0.144 4.596 4.740 -0.000 0.000 0.184 310 N C 1.940 177.514 175.510 0.106 0.000 1.018 310 N CA 1.709 54.858 53.050 0.165 0.000 0.858 310 N CB -0.213 38.346 38.487 0.120 0.000 0.989 310 N HN 0.346 nan 8.380 nan 0.000 0.426 311 S N -0.433 115.249 115.700 -0.030 0.000 2.603 311 S HA 0.176 4.646 4.470 -0.000 0.000 0.220 311 S C 1.347 175.557 174.600 -0.651 0.000 0.967 311 S CA 0.568 58.656 58.200 -0.187 0.000 0.920 311 S CB -0.095 63.035 63.200 -0.117 0.000 0.773 311 S HN 0.415 nan 8.310 nan 0.000 0.529 312 G N 1.913 110.127 108.800 -0.976 0.000 2.179 312 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.257 312 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.257 312 G C 0.077 174.163 174.900 -1.356 0.000 1.010 312 G CA 0.225 44.107 45.100 -2.030 0.000 0.736 312 G HN 0.655 nan 8.290 nan 0.000 0.513 313 N N 0.581 118.924 118.700 -0.595 0.000 3.178 313 N HA 0.486 5.226 4.740 -0.000 0.000 0.300 313 N C -0.020 175.457 175.510 -0.054 0.000 1.242 313 N CA -0.163 52.709 53.050 -0.296 0.000 1.192 313 N CB -0.862 37.564 38.487 -0.102 0.000 1.463 313 N HN 0.625 nan 8.380 nan 0.000 0.539 314 F N -1.409 118.502 119.950 -0.065 0.000 2.779 314 F HA 0.485 5.012 4.527 -0.000 0.000 0.316 314 F C -0.134 175.704 175.800 0.062 0.000 1.164 314 F CA -1.512 56.523 58.000 0.058 0.000 0.924 314 F CB 0.688 39.791 39.000 0.172 0.000 1.348 314 F HN -0.192 nan 8.300 nan 0.000 0.467 315 K N 1.578 122.250 120.400 0.453 0.000 2.368 315 K HA 0.249 4.569 4.320 -0.000 0.000 0.282 315 K C -1.086 175.772 176.600 0.430 0.000 1.035 315 K CA -0.306 56.149 56.287 0.280 0.000 0.973 315 K CB 0.549 33.155 32.500 0.177 0.000 0.957 315 K HN 0.734 nan 8.250 nan 0.000 0.474 316 K N 3.256 123.777 120.400 0.201 0.000 2.334 316 K HA 0.174 4.494 4.320 -0.000 0.000 0.265 316 K C -0.350 176.363 176.600 0.188 0.000 1.039 316 K CA -0.445 55.957 56.287 0.191 0.000 0.920 316 K CB 1.787 34.302 32.500 0.025 0.000 1.160 316 K HN 0.634 nan 8.250 nan 0.000 0.451 317 T N 1.295 116.042 114.554 0.322 0.000 2.612 317 T HA 0.225 4.575 4.350 -0.000 0.000 0.296 317 T C -1.405 173.500 174.700 0.341 0.000 1.148 317 T CA -0.581 61.663 62.100 0.239 0.000 1.077 317 T CB 0.999 69.975 68.868 0.180 0.000 1.591 317 T HN 0.403 nan 8.240 nan 0.000 0.479 318 Q N 0.963 120.936 119.800 0.287 0.000 2.214 318 Q HA 0.754 5.094 4.340 -0.000 0.000 0.251 318 Q C -0.407 175.903 176.000 0.517 0.000 0.936 318 Q CA -0.493 55.550 55.803 0.400 0.000 0.894 318 Q CB 1.319 30.257 28.738 0.333 0.000 1.252 318 Q HN 0.680 nan 8.270 nan 0.000 0.448 319 I N -1.623 119.211 120.570 0.439 0.000 2.686 319 I HA 0.654 4.824 4.170 -0.000 0.000 0.295 319 I C -1.548 174.471 176.117 -0.164 0.000 1.114 319 I CA -1.280 60.119 61.300 0.164 0.000 1.038 319 I CB 1.770 39.719 38.000 -0.085 0.000 1.238 319 I HN 0.522 nan 8.210 nan 0.000 0.420 320 L N 7.153 128.008 121.223 -0.614 0.000 2.356 320 L HA 0.797 5.137 4.340 -0.000 0.000 0.277 320 L C -1.218 175.459 176.870 -0.322 0.000 0.996 320 L CA -0.635 53.761 54.840 -0.739 0.000 0.822 320 L CB 1.649 42.747 42.059 -1.602 0.000 1.256 320 L HN 0.833 nan 8.230 nan 0.000 0.413 321 L N 2.297 123.468 121.223 -0.087 0.000 2.671 321 L HA 1.085 5.425 4.340 -0.000 0.000 0.259 321 L C -0.851 175.821 176.870 -0.330 0.000 1.021 321 L CA -0.507 54.298 54.840 -0.058 0.000 0.871 321 L CB 1.918 43.927 42.059 -0.083 0.000 1.472 321 L HN 0.649 nan 8.230 nan 0.000 0.410 322 G N -0.005 108.397 108.800 -0.663 0.000 2.488 322 G HA2 0.633 4.593 3.960 -0.000 0.000 0.301 322 G HA3 0.633 4.593 3.960 -0.000 0.000 0.301 322 G C -1.481 173.087 174.900 -0.554 0.000 1.339 322 G CA -0.008 44.326 45.100 -1.276 0.000 0.803 322 G HN 1.458 nan 8.290 nan 0.000 0.482 323 V N -2.625 117.123 119.914 -0.277 0.000 3.182 323 V HA 0.871 4.991 4.120 -0.000 0.000 0.308 323 V C -1.059 175.157 176.094 0.203 0.000 1.240 323 V CA -1.389 60.963 62.300 0.087 0.000 1.063 323 V CB 1.851 33.746 31.823 0.121 0.000 1.076 323 V HN 0.691 nan 8.190 nan 0.000 0.446 324 N N 0.481 119.305 118.700 0.206 0.000 2.459 324 N HA 0.470 5.210 4.740 -0.000 0.000 0.288 324 N C 0.494 176.000 175.510 -0.007 0.000 1.186 324 N CA -0.530 52.606 53.050 0.144 0.000 0.917 324 N CB 1.721 40.386 38.487 0.296 0.000 1.219 324 N HN 0.926 nan 8.380 nan 0.000 0.525 325 K N -0.150 120.153 120.400 -0.161 0.000 2.097 325 K HA -0.020 4.300 4.320 -0.000 0.000 0.205 325 K C -0.639 176.063 176.600 0.170 0.000 1.050 325 K CA 1.253 57.534 56.287 -0.011 0.000 0.938 325 K CB 0.230 32.707 32.500 -0.038 0.000 0.718 325 K HN 0.505 nan 8.250 nan 0.000 0.442 326 D N 1.156 121.645 120.400 0.149 0.000 2.749 326 D HA 0.034 4.673 4.640 -0.000 0.000 0.338 326 D C -0.044 176.366 176.300 0.183 0.000 1.236 326 D CA -0.089 54.008 54.000 0.161 0.000 0.845 326 D CB 1.247 42.122 40.800 0.125 0.000 1.080 326 D HN 0.175 nan 8.370 nan 0.000 0.497 327 E N 0.454 120.782 120.200 0.213 0.000 2.209 327 E HA -0.122 4.228 4.350 -0.000 0.000 0.196 327 E C 1.856 178.608 176.600 0.255 0.000 0.993 327 E CA 0.692 57.252 56.400 0.266 0.000 0.819 327 E CB 0.213 30.052 29.700 0.231 0.000 0.745 327 E HN 0.408 nan 8.360 nan 0.000 0.477 328 G N 0.939 109.852 108.800 0.189 0.000 2.939 328 G HA2 -0.111 3.849 3.960 -0.000 0.000 0.210 328 G HA3 -0.111 3.849 3.960 -0.000 0.000 0.210 328 G C 1.636 176.671 174.900 0.224 0.000 1.160 328 G CA 0.578 45.796 45.100 0.196 0.000 0.770 328 G HN 0.319 nan 8.290 nan 0.000 0.543 329 S N 0.468 116.264 115.700 0.159 0.000 2.399 329 S HA -0.118 4.352 4.470 -0.000 0.000 0.231 329 S C 2.035 176.644 174.600 0.016 0.000 1.022 329 S CA 0.775 59.025 58.200 0.083 0.000 0.983 329 S CB -0.497 62.663 63.200 -0.066 0.000 0.803 329 S HN 0.139 nan 8.310 nan 0.000 0.480 330 F N 1.932 121.783 119.950 -0.165 0.000 2.171 330 F HA 0.081 4.608 4.527 -0.000 0.000 0.300 330 F C 1.599 177.181 175.800 -0.363 0.000 1.090 330 F CA 0.399 58.162 58.000 -0.395 0.000 1.293 330 F CB -0.576 38.066 39.000 -0.597 0.000 1.013 330 F HN 0.186 nan 8.300 nan 0.000 0.486 331 F N -0.738 119.211 119.950 -0.000 0.000 2.335 331 F HA -0.021 4.506 4.527 -0.000 0.000 0.296 331 F C 2.184 177.959 175.800 -0.040 0.000 1.091 331 F CA 0.686 58.631 58.000 -0.091 0.000 1.399 331 F CB -1.006 37.856 39.000 -0.231 0.000 1.067 331 F HN -0.163 nan 8.300 nan 0.000 0.520 332 L N -0.474 120.772 121.223 0.039 0.000 2.141 332 L HA -0.163 4.177 4.340 -0.000 0.000 0.209 332 L C 2.431 179.191 176.870 -0.184 0.000 1.094 332 L CA 0.502 55.144 54.840 -0.330 0.000 0.763 332 L CB -0.593 40.862 42.059 -1.007 0.000 0.908 332 L HN 0.192 nan 8.230 nan 0.000 0.437 333 L N -0.931 120.374 121.223 0.136 0.000 2.046 333 L HA -0.238 4.101 4.340 -0.000 0.000 0.208 333 L C 2.376 179.458 176.870 0.353 0.000 1.077 333 L CA 1.998 57.093 54.840 0.424 0.000 0.747 333 L CB -0.742 41.587 42.059 0.450 0.000 0.896 333 L HN 0.082 nan 8.230 nan 0.000 0.432 334 Y N -0.280 120.104 120.300 0.140 0.000 2.220 334 Y HA 0.104 4.654 4.550 -0.000 0.000 0.291 334 Y C 2.409 178.323 175.900 0.023 0.000 1.129 334 Y CA 1.462 59.611 58.100 0.082 0.000 1.161 334 Y CB -0.565 37.919 38.460 0.040 0.000 0.997 334 Y HN 0.286 nan 8.280 nan 0.000 0.522 335 G N -1.753 107.150 108.800 0.172 0.000 3.228 335 G HA2 0.445 4.405 3.960 -0.000 0.000 0.245 335 G HA3 0.445 4.405 3.960 -0.000 0.000 0.245 335 G C 0.043 174.994 174.900 0.084 0.000 1.051 335 G CA 0.427 45.575 45.100 0.082 0.000 0.809 335 G HN 0.326 nan 8.290 nan 0.000 0.531 336 A N 1.230 124.131 122.820 0.136 0.000 2.312 336 A HA 0.820 5.140 4.320 -0.000 0.000 0.328 336 A C -2.472 175.275 177.584 0.272 0.000 1.158 336 A CA -1.518 50.641 52.037 0.203 0.000 0.821 336 A CB 1.371 20.524 19.000 0.254 0.000 1.170 336 A HN 0.080 nan 8.150 nan 0.000 0.490 337 P HA 0.357 nan 4.420 nan 0.000 0.275 337 P C 0.789 178.094 177.300 0.007 0.000 1.228 337 P CA 1.172 64.321 63.100 0.083 0.000 0.786 337 P CB 1.272 32.994 31.700 0.037 0.000 0.927 338 G N 1.069 109.819 108.800 -0.084 0.000 2.241 338 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.244 338 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.244 338 G C -0.238 174.391 174.900 -0.451 0.000 0.998 338 G CA -0.390 44.538 45.100 -0.286 0.000 0.621 338 G HN 0.429 nan 8.290 nan 0.000 0.519 339 F N 2.472 122.356 119.950 -0.109 0.000 2.405 339 F HA 0.697 5.224 4.527 -0.000 0.000 0.355 339 F C 0.654 176.465 175.800 0.018 0.000 1.121 339 F CA -0.301 57.613 58.000 -0.143 0.000 1.112 339 F CB 1.988 40.968 39.000 -0.033 0.000 1.126 339 F HN 0.035 nan 8.300 nan 0.000 0.481 340 S N 1.662 117.471 115.700 0.181 0.000 2.570 340 S HA 0.306 4.776 4.470 -0.000 0.000 0.286 340 S C 0.490 175.347 174.600 0.429 0.000 1.099 340 S CA -1.141 57.210 58.200 0.251 0.000 0.913 340 S CB 2.036 65.299 63.200 0.106 0.000 1.085 340 S HN 0.723 nan 8.310 nan 0.000 0.480 341 K N -0.088 120.512 120.400 0.335 0.000 2.444 341 K HA 0.184 4.504 4.320 -0.000 0.000 0.193 341 K C -0.431 176.244 176.600 0.126 0.000 1.024 341 K CA 0.590 57.028 56.287 0.252 0.000 1.077 341 K CB 0.077 32.499 32.500 -0.129 0.000 0.833 341 K HN 0.294 nan 8.250 nan 0.000 0.517 342 D N 1.315 121.778 120.400 0.106 0.000 2.363 342 D HA 0.029 4.669 4.640 -0.000 0.000 0.214 342 D C -0.061 176.279 176.300 0.068 0.000 1.093 342 D CA 0.224 54.249 54.000 0.043 0.000 0.837 342 D CB 0.923 41.725 40.800 0.004 0.000 0.948 342 D HN 0.344 nan 8.370 nan 0.000 0.507 343 S N -1.252 114.518 115.700 0.116 0.000 2.638 343 S HA 0.233 4.703 4.470 -0.000 0.000 0.274 343 S C 0.605 175.231 174.600 0.043 0.000 1.157 343 S CA -0.707 57.522 58.200 0.048 0.000 0.826 343 S CB 2.364 65.546 63.200 -0.030 0.000 1.139 343 S HN -0.146 nan 8.310 nan 0.000 0.474 344 E N 0.807 120.997 120.200 -0.016 0.000 2.333 344 E HA -0.030 4.320 4.350 -0.000 0.000 0.198 344 E C -0.237 176.157 176.600 -0.344 0.000 1.007 344 E CA 0.880 57.254 56.400 -0.042 0.000 0.845 344 E CB -0.307 29.379 29.700 -0.023 0.000 0.766 344 E HN 0.741 nan 8.360 nan 0.000 0.507 345 S N 0.567 115.999 115.700 -0.448 0.000 3.614 345 S HA -0.174 4.296 4.470 -0.000 0.000 0.360 345 S C -0.438 173.817 174.600 -0.576 0.000 1.023 345 S CA 0.643 58.428 58.200 -0.692 0.000 1.114 345 S CB -1.136 61.254 63.200 -1.351 0.000 0.907 345 S HN 0.295 nan 8.310 nan 0.000 0.470 346 K N 1.037 121.236 120.400 -0.336 0.000 2.402 346 K HA 0.175 4.495 4.320 -0.000 0.000 0.285 346 K C 0.378 176.815 176.600 -0.272 0.000 1.054 346 K CA -0.058 56.088 56.287 -0.234 0.000 1.001 346 K CB 0.279 32.697 32.500 -0.138 0.000 0.946 346 K HN 0.220 nan 8.250 nan 0.000 0.473 347 I N 2.823 123.232 120.570 -0.269 0.000 2.396 347 I HA 0.021 4.191 4.170 -0.000 0.000 0.292 347 I C 1.126 177.187 176.117 -0.093 0.000 0.999 347 I CA -0.145 61.009 61.300 -0.244 0.000 1.310 347 I CB 1.033 38.882 38.000 -0.253 0.000 1.404 347 I HN 0.614 nan 8.210 nan 0.000 0.496 348 S N 5.935 121.591 115.700 -0.072 0.000 2.652 348 S HA 0.333 4.803 4.470 -0.000 0.000 0.270 348 S C 1.107 175.730 174.600 0.039 0.000 1.243 348 S CA -0.528 57.657 58.200 -0.024 0.000 0.999 348 S CB 1.608 64.792 63.200 -0.027 0.000 0.973 348 S HN 0.573 nan 8.310 nan 0.000 0.544 349 R N 0.779 121.296 120.500 0.030 0.000 2.127 349 R HA -0.107 4.233 4.340 -0.000 0.000 0.238 349 R C 2.172 178.550 176.300 0.131 0.000 1.134 349 R CA 2.127 58.264 56.100 0.061 0.000 0.975 349 R CB -0.900 29.422 30.300 0.037 0.000 0.865 349 R HN 0.937 nan 8.270 nan 0.000 0.447 350 E N -0.225 120.025 120.200 0.083 0.000 2.038 350 E HA -0.199 4.151 4.350 -0.000 0.000 0.195 350 E C 0.905 177.556 176.600 0.085 0.000 1.000 350 E CA 1.777 58.222 56.400 0.074 0.000 0.803 350 E CB -0.041 29.682 29.700 0.038 0.000 0.750 350 E HN 0.378 nan 8.360 nan 0.000 0.448 351 D N -0.569 119.870 120.400 0.065 0.000 2.317 351 D HA -0.093 4.547 4.640 -0.000 0.000 0.211 351 D C 1.483 177.833 176.300 0.083 0.000 0.966 351 D CA 0.277 54.305 54.000 0.047 0.000 0.876 351 D CB -0.129 40.656 40.800 -0.025 0.000 0.927 351 D HN 0.195 nan 8.370 nan 0.000 0.519 352 F N 1.236 121.191 119.950 0.010 0.000 2.128 352 F HA -0.107 4.420 4.527 -0.000 0.000 0.295 352 F C 2.298 178.128 175.800 0.050 0.000 1.100 352 F CA 1.132 59.150 58.000 0.031 0.000 1.260 352 F CB -0.066 38.934 39.000 -0.001 0.000 1.009 352 F HN -0.211 nan 8.300 nan 0.000 0.476 353 M N -0.369 119.390 119.600 0.265 0.000 2.065 353 M HA -0.243 4.237 4.480 -0.000 0.000 0.259 353 M C 2.269 178.601 176.300 0.054 0.000 1.069 353 M CA 2.042 57.448 55.300 0.177 0.000 1.110 353 M CB -0.766 31.939 32.600 0.175 0.000 1.328 353 M HN 0.032 nan 8.290 nan 0.000 0.405 354 S N 0.477 116.207 115.700 0.049 0.000 2.383 354 S HA -0.113 4.357 4.470 -0.000 0.000 0.229 354 S C 2.000 176.600 174.600 -0.001 0.000 1.030 354 S CA 1.438 59.655 58.200 0.027 0.000 1.002 354 S CB -0.860 62.362 63.200 0.036 0.000 0.829 354 S HN 0.714 nan 8.310 nan 0.000 0.467 355 G N 1.471 110.250 108.800 -0.034 0.000 2.403 355 G HA2 -0.125 3.834 3.960 -0.000 0.000 0.216 355 G HA3 -0.125 3.834 3.960 -0.000 0.000 0.216 355 G C 1.643 176.464 174.900 -0.131 0.000 1.154 355 G CA 0.937 45.998 45.100 -0.065 0.000 0.784 355 G HN 0.539 nan 8.290 nan 0.000 0.538 356 V N -0.018 119.774 119.914 -0.203 0.000 2.358 356 V HA -0.042 4.078 4.120 -0.000 0.000 0.246 356 V C 2.515 178.576 176.094 -0.055 0.000 1.047 356 V CA 2.526 64.740 62.300 -0.144 0.000 1.035 356 V CB -0.614 31.149 31.823 -0.099 0.000 0.658 356 V HN 0.258 nan 8.190 nan 0.000 0.452 357 K N 0.402 120.780 120.400 -0.036 0.000 2.074 357 K HA -0.131 4.189 4.320 -0.000 0.000 0.209 357 K C 1.818 178.393 176.600 -0.041 0.000 1.048 357 K CA 2.059 58.329 56.287 -0.028 0.000 0.926 357 K CB -0.769 31.724 32.500 -0.011 0.000 0.713 357 K HN 0.479 nan 8.250 nan 0.000 0.444 358 L N 0.305 121.509 121.223 -0.032 0.000 2.179 358 L HA 0.043 4.383 4.340 -0.000 0.000 0.208 358 L C 2.011 178.861 176.870 -0.033 0.000 1.096 358 L CA 1.460 56.287 54.840 -0.023 0.000 0.779 358 L CB -0.604 41.452 42.059 -0.006 0.000 0.922 358 L HN 0.123 nan 8.230 nan 0.000 0.443 359 S N -1.598 114.075 115.700 -0.045 0.000 2.414 359 S HA 0.050 4.520 4.470 -0.000 0.000 0.227 359 S C 1.041 175.608 174.600 -0.055 0.000 1.022 359 S CA 0.426 58.597 58.200 -0.048 0.000 0.958 359 S CB 0.246 63.403 63.200 -0.072 0.000 0.797 359 S HN 0.144 nan 8.310 nan 0.000 0.493 360 V N 3.565 123.447 119.914 -0.053 0.000 2.592 360 V HA 0.193 4.313 4.120 -0.000 0.000 0.278 360 V C -1.652 174.440 176.094 -0.004 0.000 1.087 360 V CA -1.361 60.922 62.300 -0.030 0.000 1.282 360 V CB 0.587 32.422 31.823 0.019 0.000 1.543 360 V HN 0.219 nan 8.190 nan 0.000 0.606 361 P HA -0.199 nan 4.420 nan 0.000 0.217 361 P C 0.603 177.501 177.300 -0.670 0.000 1.148 361 P CA 1.633 64.537 63.100 -0.327 0.000 0.834 361 P CB -0.042 31.568 31.700 -0.149 0.000 0.783 362 H N -0.983 117.841 119.070 -0.411 0.000 2.591 362 H HA 0.724 5.280 4.556 -0.000 0.000 0.302 362 H C -0.068 175.126 175.328 -0.223 0.000 1.163 362 H CA -2.079 53.734 56.048 -0.391 0.000 1.049 362 H CB -0.873 28.875 29.762 -0.024 0.000 1.543 362 H HN 0.061 nan 8.280 nan 0.000 0.523 363 A N 1.518 124.287 122.820 -0.085 0.000 2.356 363 A HA 0.481 4.801 4.320 -0.000 0.000 0.310 363 A C -0.207 177.330 177.584 -0.078 0.000 1.075 363 A CA -1.082 50.910 52.037 -0.075 0.000 0.746 363 A CB 1.173 20.151 19.000 -0.037 0.000 1.221 363 A HN 0.589 nan 8.150 nan 0.000 0.443 364 N N 1.553 120.215 118.700 -0.063 0.000 2.288 364 N HA 0.064 4.804 4.740 -0.000 0.000 0.237 364 N C 0.006 175.503 175.510 -0.021 0.000 1.311 364 N CA -0.005 53.019 53.050 -0.043 0.000 0.909 364 N CB 0.303 38.769 38.487 -0.036 0.000 1.167 364 N HN 0.472 nan 8.380 nan 0.000 0.476 365 D N -0.953 119.443 120.400 -0.007 0.000 2.182 365 D HA -0.128 4.512 4.640 -0.000 0.000 0.201 365 D C 1.637 177.954 176.300 0.029 0.000 0.986 365 D CA 0.695 54.704 54.000 0.014 0.000 0.847 365 D CB -0.231 40.578 40.800 0.016 0.000 0.942 365 D HN 0.466 nan 8.370 nan 0.000 0.467 366 L N 0.534 121.767 121.223 0.017 0.000 2.093 366 L HA 0.039 4.379 4.340 -0.000 0.000 0.208 366 L C 2.129 179.026 176.870 0.045 0.000 1.085 366 L CA 1.850 56.707 54.840 0.029 0.000 0.755 366 L CB -0.880 41.183 42.059 0.006 0.000 0.904 366 L HN 0.058 nan 8.230 nan 0.000 0.435 367 G N -0.363 108.444 108.800 0.013 0.000 2.453 367 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.215 367 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.215 367 G C 1.588 176.534 174.900 0.076 0.000 1.201 367 G CA 1.040 46.149 45.100 0.015 0.000 0.784 367 G HN 0.418 nan 8.290 nan 0.000 0.545 368 L N 0.646 121.906 121.223 0.062 0.000 2.051 368 L HA -0.152 4.188 4.340 -0.000 0.000 0.214 368 L C 2.527 179.480 176.870 0.138 0.000 1.076 368 L CA 1.492 56.386 54.840 0.091 0.000 0.758 368 L CB -0.473 41.625 42.059 0.065 0.000 0.890 368 L HN 0.146 nan 8.230 nan 0.000 0.433 369 D N -0.056 120.422 120.400 0.129 0.000 2.144 369 D HA -0.124 4.516 4.640 -0.000 0.000 0.200 369 D C 2.220 178.626 176.300 0.177 0.000 0.978 369 D CA 1.432 55.523 54.000 0.153 0.000 0.833 369 D CB 0.007 40.878 40.800 0.118 0.000 0.961 369 D HN 0.352 nan 8.370 nan 0.000 0.470 370 A N 0.736 123.675 122.820 0.199 0.000 1.855 370 A HA -0.126 4.194 4.320 -0.000 0.000 0.215 370 A C 2.555 180.250 177.584 0.184 0.000 1.191 370 A CA 1.233 53.431 52.037 0.269 0.000 0.613 370 A CB -0.815 18.456 19.000 0.453 0.000 0.829 370 A HN 0.126 nan 8.150 nan 0.000 0.442 371 V N -0.050 120.022 119.914 0.263 0.000 2.287 371 V HA -0.265 3.855 4.120 -0.000 0.000 0.248 371 V C 2.743 178.963 176.094 0.209 0.000 1.053 371 V CA 2.560 64.970 62.300 0.184 0.000 1.027 371 V CB -1.447 30.513 31.823 0.229 0.000 0.646 371 V HN 0.616 nan 8.190 nan 0.000 0.447 372 T N 0.610 115.311 114.554 0.245 0.000 2.622 372 T HA -0.227 4.123 4.350 -0.000 0.000 0.266 372 T C 1.929 176.735 174.700 0.177 0.000 1.047 372 T CA 2.057 64.344 62.100 0.312 0.000 1.159 372 T CB -0.466 68.599 68.868 0.328 0.000 0.863 372 T HN 0.341 nan 8.240 nan 0.000 0.422 373 L N 1.225 122.553 121.223 0.174 0.000 2.081 373 L HA -0.120 4.220 4.340 -0.000 0.000 0.212 373 L C 2.399 179.230 176.870 -0.064 0.000 1.080 373 L CA 1.852 56.789 54.840 0.161 0.000 0.754 373 L CB -0.729 41.416 42.059 0.143 0.000 0.893 373 L HN 0.158 nan 8.230 nan 0.000 0.433 374 Q N -1.690 117.979 119.800 -0.218 0.000 2.230 374 Q HA -0.141 4.199 4.340 -0.000 0.000 0.202 374 Q C 1.023 176.672 176.000 -0.586 0.000 0.963 374 Q CA 1.675 57.156 55.803 -0.536 0.000 0.866 374 Q CB -0.105 27.960 28.738 -1.121 0.000 0.931 374 Q HN 0.715 nan 8.270 nan 0.000 0.452 375 Y N -1.502 118.707 120.300 -0.152 0.000 2.500 375 Y HA 0.341 4.891 4.550 -0.000 0.000 0.246 375 Y C -0.157 175.637 175.900 -0.176 0.000 1.146 375 Y CA -0.256 57.811 58.100 -0.054 0.000 1.230 375 Y CB 1.095 39.649 38.460 0.155 0.000 1.214 375 Y HN -0.185 nan 8.280 nan 0.000 0.526 376 T N 0.745 115.126 114.554 -0.289 0.000 2.829 376 T HA 0.111 4.460 4.350 -0.000 0.000 0.282 376 T C -0.783 173.528 174.700 -0.648 0.000 0.990 376 T CA -0.602 61.086 62.100 -0.686 0.000 1.028 376 T CB 1.184 69.325 68.868 -1.213 0.000 0.951 376 T HN -0.022 nan 8.240 nan 0.000 0.460 377 D N 1.878 121.949 120.400 -0.549 0.000 2.479 377 D HA 0.125 4.765 4.640 -0.000 0.000 0.218 377 D C 0.032 176.143 176.300 -0.315 0.000 1.131 377 D CA -0.780 53.027 54.000 -0.322 0.000 0.916 377 D CB 0.248 40.936 40.800 -0.187 0.000 1.022 377 D HN 0.626 nan 8.370 nan 0.000 0.515 378 W N 2.940 124.191 121.300 -0.082 0.000 2.747 378 W HA 0.012 4.671 4.660 -0.000 0.000 0.244 378 W C 1.963 178.448 176.519 -0.056 0.000 1.270 378 W CA -0.159 57.143 57.345 -0.073 0.000 1.333 378 W CB 0.035 29.456 29.460 -0.065 0.000 1.139 378 W HN 0.376 nan 8.180 nan 0.000 0.662 379 M N -0.948 118.717 119.600 0.108 0.000 2.492 379 M HA 0.014 4.494 4.480 -0.000 0.000 0.255 379 M C 0.283 176.602 176.300 0.032 0.000 1.139 379 M CA 1.102 56.442 55.300 0.067 0.000 1.096 379 M CB 0.315 32.935 32.600 0.034 0.000 1.360 379 M HN -0.196 nan 8.290 nan 0.000 0.480 380 D N -0.019 120.377 120.400 -0.006 0.000 3.216 380 D HA -0.019 4.621 4.640 -0.000 0.000 0.348 380 D C 0.217 176.465 176.300 -0.087 0.000 1.407 380 D CA 0.052 54.033 54.000 -0.032 0.000 0.744 380 D CB 0.249 41.027 40.800 -0.036 0.000 1.264 380 D HN 0.190 nan 8.370 nan 0.000 0.543 381 D N -0.751 119.595 120.400 -0.090 0.000 2.392 381 D HA -0.098 4.542 4.640 -0.000 0.000 0.228 381 D C 0.336 176.552 176.300 -0.139 0.000 1.003 381 D CA 0.146 54.020 54.000 -0.211 0.000 0.917 381 D CB 0.108 40.787 40.800 -0.202 0.000 0.890 381 D HN 0.166 nan 8.370 nan 0.000 0.532 382 N N 0.540 119.200 118.700 -0.068 0.000 2.203 382 N HA -0.040 4.700 4.740 -0.000 0.000 0.207 382 N C -0.003 175.475 175.510 -0.053 0.000 1.130 382 N CA -0.220 52.803 53.050 -0.046 0.000 0.861 382 N CB 0.112 38.591 38.487 -0.013 0.000 1.005 382 N HN 0.168 nan 8.380 nan 0.000 0.507 383 N N 1.180 119.839 118.700 -0.069 0.000 2.406 383 N HA 0.034 4.774 4.740 -0.000 0.000 0.265 383 N C 1.247 176.724 175.510 -0.055 0.000 1.203 383 N CA 0.072 53.090 53.050 -0.055 0.000 0.945 383 N CB 0.960 39.416 38.487 -0.053 0.000 1.165 383 N HN 0.146 nan 8.380 nan 0.000 0.485 384 G N 4.660 113.431 108.800 -0.049 0.000 2.422 384 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.218 384 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.218 384 G C 1.567 176.441 174.900 -0.043 0.000 1.146 384 G CA 0.359 45.424 45.100 -0.059 0.000 0.769 384 G HN 0.631 nan 8.290 nan 0.000 0.547 385 I N 0.855 121.412 120.570 -0.021 0.000 2.142 385 I HA -0.107 4.063 4.170 -0.000 0.000 0.240 385 I C 2.640 178.783 176.117 0.044 0.000 1.078 385 I CA 1.340 62.648 61.300 0.014 0.000 1.343 385 I CB -0.891 37.125 38.000 0.026 0.000 1.046 385 I HN 0.215 nan 8.210 nan 0.000 0.405 386 K N 0.594 121.007 120.400 0.021 0.000 2.097 386 K HA -0.155 4.165 4.320 -0.000 0.000 0.206 386 K C 1.832 178.468 176.600 0.061 0.000 1.049 386 K CA 1.157 57.461 56.287 0.028 0.000 0.933 386 K CB -0.131 32.349 32.500 -0.033 0.000 0.717 386 K HN 0.340 nan 8.250 nan 0.000 0.442 387 N N 0.817 119.539 118.700 0.038 0.000 2.188 387 N HA -0.161 4.579 4.740 -0.000 0.000 0.184 387 N C 1.760 177.460 175.510 0.317 0.000 1.018 387 N CA 0.921 54.071 53.050 0.167 0.000 0.858 387 N CB -0.145 38.410 38.487 0.112 0.000 0.989 387 N HN 0.226 nan 8.380 nan 0.000 0.426 388 R N 1.116 121.713 120.500 0.162 0.000 2.062 388 R HA -0.098 4.242 4.340 -0.000 0.000 0.231 388 R C 0.851 177.330 176.300 0.298 0.000 1.136 388 R CA 1.550 57.765 56.100 0.192 0.000 0.948 388 R CB -0.044 30.282 30.300 0.043 0.000 0.845 388 R HN 0.045 nan 8.270 nan 0.000 0.430 389 D N -0.575 119.970 120.400 0.241 0.000 2.219 389 D HA -0.073 4.567 4.640 -0.000 0.000 0.205 389 D C 1.657 178.110 176.300 0.254 0.000 0.970 389 D CA 1.322 55.469 54.000 0.245 0.000 0.851 389 D CB -0.405 40.514 40.800 0.198 0.000 0.943 389 D HN 0.518 nan 8.370 nan 0.000 0.488 390 G N 0.648 109.623 108.800 0.292 0.000 2.404 390 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.215 390 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.215 390 G C 1.515 176.567 174.900 0.252 0.000 1.174 390 G CA 0.244 45.568 45.100 0.373 0.000 0.780 390 G HN 0.220 nan 8.290 nan 0.000 0.537 391 L N 0.923 122.277 121.223 0.219 0.000 2.156 391 L HA 0.056 4.395 4.340 -0.000 0.000 0.208 391 L C 2.174 179.046 176.870 0.003 0.000 1.095 391 L CA 1.936 56.753 54.840 -0.039 0.000 0.770 391 L CB -0.505 41.527 42.059 -0.044 0.000 0.914 391 L HN 0.195 nan 8.230 nan 0.000 0.439 392 D N -0.458 120.018 120.400 0.126 0.000 2.078 392 D HA -0.220 4.419 4.640 -0.000 0.000 0.193 392 D C 1.671 178.016 176.300 0.074 0.000 0.990 392 D CA 1.545 55.619 54.000 0.122 0.000 0.827 392 D CB -0.022 40.915 40.800 0.228 0.000 0.975 392 D HN 0.324 nan 8.370 nan 0.000 0.451 393 D N 0.041 120.507 120.400 0.109 0.000 2.133 393 D HA -0.162 4.478 4.640 -0.000 0.000 0.195 393 D C 2.343 178.615 176.300 -0.046 0.000 0.997 393 D CA 0.629 54.698 54.000 0.115 0.000 0.840 393 D CB -0.353 40.611 40.800 0.273 0.000 0.947 393 D HN 0.383 nan 8.370 nan 0.000 0.452 394 I N 0.518 120.926 120.570 -0.270 0.000 2.118 394 I HA -0.267 3.903 4.170 -0.000 0.000 0.241 394 I C 2.493 178.465 176.117 -0.241 0.000 1.070 394 I CA 0.820 61.907 61.300 -0.354 0.000 1.327 394 I CB -0.248 37.541 38.000 -0.351 0.000 1.034 394 I HN -0.100 nan 8.210 nan 0.000 0.405 395 V N 0.797 120.613 119.914 -0.164 0.000 2.515 395 V HA -0.181 3.938 4.120 -0.000 0.000 0.250 395 V C 2.427 178.402 176.094 -0.198 0.000 1.058 395 V CA 2.074 64.280 62.300 -0.157 0.000 1.064 395 V CB -1.170 30.610 31.823 -0.072 0.000 0.675 395 V HN 0.599 nan 8.190 nan 0.000 0.461 396 G N -0.753 107.982 108.800 -0.108 0.000 2.396 396 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.214 396 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.214 396 G C 1.232 176.046 174.900 -0.143 0.000 1.166 396 G CA 0.656 45.716 45.100 -0.068 0.000 0.793 396 G HN 0.467 nan 8.290 nan 0.000 0.533 397 D N 0.089 120.392 120.400 -0.162 0.000 2.084 397 D HA -0.094 4.546 4.640 -0.000 0.000 0.196 397 D C 2.081 178.021 176.300 -0.600 0.000 0.985 397 D CA 1.287 55.153 54.000 -0.223 0.000 0.826 397 D CB -0.470 40.341 40.800 0.018 0.000 0.978 397 D HN 0.380 nan 8.370 nan 0.000 0.456 398 H N 1.086 119.455 119.070 -1.169 0.000 2.352 398 H HA -0.016 4.540 4.556 -0.000 0.000 0.299 398 H C 1.483 176.413 175.328 -0.662 0.000 1.097 398 H CA 1.845 57.104 56.048 -1.314 0.000 1.311 398 H CB 0.058 28.881 29.762 -1.565 0.000 1.377 398 H HN 0.006 nan 8.280 nan 0.000 0.504 399 N N -0.766 117.472 118.700 -0.769 0.000 2.405 399 N HA 0.003 4.742 4.740 -0.000 0.000 0.175 399 N C 1.135 176.379 175.510 -0.444 0.000 1.051 399 N CA 1.014 53.581 53.050 -0.806 0.000 0.899 399 N CB 1.079 38.626 38.487 -1.565 0.000 1.000 399 N HN 0.280 nan 8.380 nan 0.000 0.451 400 V N 0.409 120.135 119.914 -0.313 0.000 3.668 400 V HA 0.142 4.262 4.120 -0.000 0.000 0.199 400 V C 2.058 178.108 176.094 -0.074 0.000 1.241 400 V CA -0.102 62.142 62.300 -0.092 0.000 1.308 400 V CB -0.185 31.664 31.823 0.043 0.000 1.411 400 V HN -0.107 nan 8.190 nan 0.000 0.535 401 I N 0.938 121.482 120.570 -0.043 0.000 2.087 401 I HA -0.349 3.821 4.170 -0.000 0.000 0.240 401 I C 2.591 178.698 176.117 -0.018 0.000 1.054 401 I CA 2.245 63.541 61.300 -0.007 0.000 1.311 401 I CB -0.574 37.454 38.000 0.047 0.000 1.024 401 I HN 0.407 nan 8.210 nan 0.000 0.402 402 c N 0.247 118.828 118.600 -0.032 0.000 2.425 402 c HA -0.052 4.517 4.570 -0.000 0.000 0.277 402 c C 0.289 174.392 174.090 0.022 0.000 1.280 402 c CA 0.663 57.013 56.329 0.036 0.000 1.744 402 c CB -1.938 40.636 42.510 0.106 0.000 1.989 402 c HN 0.377 nan 8.230 nan 0.000 0.491 403 P HA -0.093 nan 4.420 nan 0.000 0.217 403 P C 1.759 179.067 177.300 0.014 0.000 1.150 403 P CA 1.077 64.136 63.100 -0.069 0.000 0.832 403 P CB -0.160 31.406 31.700 -0.223 0.000 0.787 404 L N -1.837 119.374 121.223 -0.021 0.000 2.056 404 L HA -0.124 4.216 4.340 -0.000 0.000 0.207 404 L C 2.059 178.960 176.870 0.051 0.000 1.078 404 L CA 1.625 56.468 54.840 0.004 0.000 0.749 404 L CB -0.532 41.502 42.059 -0.041 0.000 0.901 404 L HN -0.109 nan 8.230 nan 0.000 0.433 405 M N -1.115 118.503 119.600 0.030 0.000 2.229 405 M HA -0.200 4.280 4.480 -0.000 0.000 0.264 405 M C 2.221 178.575 176.300 0.090 0.000 1.063 405 M CA 1.540 56.855 55.300 0.025 0.000 1.114 405 M CB -1.523 31.106 32.600 0.048 0.000 1.387 405 M HN 0.429 nan 8.290 nan 0.000 0.420 406 H N -0.278 118.820 119.070 0.046 0.000 2.363 406 H HA -0.134 4.422 4.556 -0.000 0.000 0.301 406 H C 1.821 177.191 175.328 0.069 0.000 1.074 406 H CA 1.731 57.815 56.048 0.060 0.000 1.354 406 H CB -0.303 29.490 29.762 0.052 0.000 1.397 406 H HN 0.242 nan 8.280 nan 0.000 0.516 407 F N -0.122 119.775 119.950 -0.089 0.000 2.146 407 F HA -0.119 4.408 4.527 -0.000 0.000 0.298 407 F C 2.377 178.089 175.800 -0.147 0.000 1.096 407 F CA 1.308 59.212 58.000 -0.160 0.000 1.275 407 F CB -0.763 38.155 39.000 -0.137 0.000 1.008 407 F HN 0.115 nan 8.300 nan 0.000 0.480 408 V N 1.071 120.904 119.914 -0.135 0.000 2.427 408 V HA -0.261 3.859 4.120 -0.000 0.000 0.248 408 V C 2.064 178.029 176.094 -0.216 0.000 1.051 408 V CA 2.341 64.464 62.300 -0.295 0.000 1.048 408 V CB -0.606 30.946 31.823 -0.453 0.000 0.666 408 V HN 0.414 nan 8.190 nan 0.000 0.456 409 N N -0.237 118.401 118.700 -0.105 0.000 2.270 409 N HA -0.079 4.661 4.740 -0.000 0.000 0.181 409 N C 1.773 177.256 175.510 -0.045 0.000 1.016 409 N CA 0.872 53.947 53.050 0.041 0.000 0.870 409 N CB -0.147 38.391 38.487 0.085 0.000 0.979 409 N HN 0.419 nan 8.380 nan 0.000 0.431 410 K N 0.566 120.852 120.400 -0.189 0.000 2.007 410 K HA -0.074 4.246 4.320 -0.000 0.000 0.206 410 K C 1.962 178.542 176.600 -0.033 0.000 1.047 410 K CA 0.612 56.819 56.287 -0.133 0.000 0.937 410 K CB -0.935 31.414 32.500 -0.252 0.000 0.718 410 K HN 0.209 nan 8.250 nan 0.000 0.438 411 Y N 2.642 122.689 120.300 -0.421 0.000 2.128 411 Y HA -0.263 4.287 4.550 -0.000 0.000 0.284 411 Y C 2.231 178.127 175.900 -0.007 0.000 1.154 411 Y CA 2.149 60.005 58.100 -0.407 0.000 1.149 411 Y CB -0.560 37.341 38.460 -0.932 0.000 0.976 411 Y HN 0.075 nan 8.280 nan 0.000 0.505 412 T N 0.746 115.320 114.554 0.033 0.000 2.849 412 T HA -0.189 4.161 4.350 -0.000 0.000 0.270 412 T C 1.865 176.543 174.700 -0.036 0.000 1.066 412 T CA 1.355 63.498 62.100 0.071 0.000 1.130 412 T CB -0.151 68.858 68.868 0.235 0.000 0.864 412 T HN 0.212 nan 8.240 nan 0.000 0.481 413 K N 0.284 120.638 120.400 -0.077 0.000 2.103 413 K HA -0.014 4.306 4.320 -0.000 0.000 0.207 413 K C 1.442 177.740 176.600 -0.503 0.000 1.048 413 K CA 1.318 57.429 56.287 -0.293 0.000 0.930 413 K CB -0.250 32.035 32.500 -0.357 0.000 0.716 413 K HN 0.452 nan 8.250 nan 0.000 0.444 414 F N -0.452 119.441 119.950 -0.095 0.000 2.724 414 F HA 0.222 4.749 4.527 -0.000 0.000 0.306 414 F C 1.524 177.189 175.800 -0.224 0.000 1.100 414 F CA -0.334 57.566 58.000 -0.168 0.000 1.255 414 F CB -0.044 38.789 39.000 -0.278 0.000 1.072 414 F HN -0.116 nan 8.300 nan 0.000 0.589 415 G N -0.016 108.668 108.800 -0.194 0.000 2.653 415 G HA2 -0.046 3.914 3.960 -0.000 0.000 0.265 415 G HA3 -0.046 3.914 3.960 -0.000 0.000 0.265 415 G C 0.429 175.336 174.900 0.011 0.000 1.237 415 G CA -0.322 44.647 45.100 -0.218 0.000 0.946 415 G HN 0.278 nan 8.290 nan 0.000 0.522 416 N N -0.448 118.324 118.700 0.119 0.000 2.234 416 N HA 0.264 5.004 4.740 -0.000 0.000 0.227 416 N C 0.271 175.875 175.510 0.156 0.000 1.151 416 N CA 0.463 53.580 53.050 0.111 0.000 0.865 416 N CB 0.408 38.955 38.487 0.100 0.000 1.066 416 N HN 0.874 nan 8.380 nan 0.000 0.515 417 G N 0.529 109.451 108.800 0.203 0.000 2.177 417 G HA2 0.024 3.984 3.960 -0.000 0.000 0.202 417 G HA3 0.024 3.984 3.960 -0.000 0.000 0.202 417 G C -1.330 173.735 174.900 0.275 0.000 1.581 417 G CA -0.713 44.519 45.100 0.221 0.000 0.983 417 G HN 0.019 nan 8.290 nan 0.000 0.689 418 T N 1.945 116.551 114.554 0.087 0.000 2.841 418 T HA 0.634 4.984 4.350 -0.000 0.000 0.285 418 T C -1.192 173.411 174.700 -0.163 0.000 0.991 418 T CA -0.367 61.787 62.100 0.090 0.000 0.966 418 T CB 1.167 70.118 68.868 0.139 0.000 0.962 418 T HN 0.410 nan 8.240 nan 0.000 0.438 419 Y N 2.208 122.455 120.300 -0.088 0.000 2.341 419 Y HA 0.681 5.231 4.550 -0.000 0.000 0.338 419 Y C -0.358 175.617 175.900 0.125 0.000 0.965 419 Y CA -1.328 56.682 58.100 -0.150 0.000 1.108 419 Y CB 1.422 39.369 38.460 -0.856 0.000 1.180 419 Y HN 0.437 nan 8.280 nan 0.000 0.458 420 L N 5.989 127.584 121.223 0.620 0.000 2.322 420 L HA 0.592 4.932 4.340 -0.000 0.000 0.281 420 L C -1.252 176.074 176.870 0.761 0.000 1.014 420 L CA -1.037 54.104 54.840 0.502 0.000 0.815 420 L CB 0.681 42.895 42.059 0.258 0.000 1.247 420 L HN 0.539 nan 8.230 nan 0.000 0.421 421 Y N 3.483 124.093 120.300 0.518 0.000 2.570 421 Y HA 0.746 5.296 4.550 -0.000 0.000 0.345 421 Y C -1.758 174.397 175.900 0.425 0.000 1.014 421 Y CA -2.086 56.247 58.100 0.388 0.000 1.063 421 Y CB 1.406 40.068 38.460 0.335 0.000 1.272 421 Y HN 0.524 nan 8.280 nan 0.000 0.477 422 F N 4.487 124.750 119.950 0.522 0.000 2.646 422 F HA 0.424 4.951 4.527 -0.000 0.000 0.364 422 F C -1.872 174.199 175.800 0.450 0.000 1.137 422 F CA -1.863 56.367 58.000 0.385 0.000 1.085 422 F CB 0.501 39.688 39.000 0.311 0.000 1.331 422 F HN 0.566 nan 8.300 nan 0.000 0.472 423 F N 7.451 127.435 119.950 0.056 0.000 2.466 423 F HA 0.242 4.769 4.527 -0.000 0.000 0.363 423 F C 0.535 176.133 175.800 -0.336 0.000 1.109 423 F CA -0.042 57.932 58.000 -0.044 0.000 1.161 423 F CB 0.441 39.512 39.000 0.118 0.000 1.117 423 F HN 0.527 nan 8.300 nan 0.000 0.539 424 N N 3.318 121.637 118.700 -0.635 0.000 2.433 424 N HA 0.066 4.806 4.740 -0.000 0.000 0.270 424 N C -0.987 174.277 175.510 -0.410 0.000 1.354 424 N CA -0.465 52.310 53.050 -0.458 0.000 0.889 424 N CB -0.584 37.774 38.487 -0.214 0.000 1.285 424 N HN 0.598 nan 8.380 nan 0.000 0.503 425 H N 0.681 119.220 119.070 -0.886 0.000 2.488 425 H HA 0.529 5.085 4.556 -0.000 0.000 0.322 425 H C -0.483 174.704 175.328 -0.235 0.000 1.078 425 H CA -0.654 55.044 56.048 -0.583 0.000 1.260 425 H CB 1.075 30.369 29.762 -0.781 0.000 1.425 425 H HN 0.058 nan 8.280 nan 0.000 0.471 426 R N 4.190 124.257 120.500 -0.722 0.000 2.204 426 R HA 0.507 4.847 4.340 -0.000 0.000 0.341 426 R C -0.876 175.156 176.300 -0.446 0.000 1.035 426 R CA -0.348 55.537 56.100 -0.358 0.000 0.887 426 R CB -0.043 30.135 30.300 -0.205 0.000 1.114 426 R HN 0.742 nan 8.270 nan 0.000 0.473 427 A N 3.392 126.233 122.820 0.034 0.000 2.567 427 A HA 0.077 4.397 4.320 -0.000 0.000 0.240 427 A C 1.285 178.968 177.584 0.166 0.000 1.053 427 A CA 0.597 52.846 52.037 0.353 0.000 0.755 427 A CB 0.015 19.370 19.000 0.591 0.000 0.978 427 A HN 1.065 nan 8.150 nan 0.000 0.507 428 S N 1.745 117.569 115.700 0.206 0.000 2.419 428 S HA -0.201 4.269 4.470 -0.000 0.000 0.233 428 S C 0.896 175.491 174.600 -0.009 0.000 1.016 428 S CA 1.361 59.612 58.200 0.085 0.000 0.974 428 S CB -0.493 62.776 63.200 0.114 0.000 0.786 428 S HN 0.974 nan 8.310 nan 0.000 0.492 429 N N 0.369 119.025 118.700 -0.074 0.000 2.273 429 N HA 0.291 5.031 4.740 -0.000 0.000 0.231 429 N C -0.296 175.150 175.510 -0.106 0.000 1.134 429 N CA -0.520 52.436 53.050 -0.157 0.000 0.856 429 N CB -0.509 37.767 38.487 -0.351 0.000 1.068 429 N HN 0.332 nan 8.380 nan 0.000 0.510 430 L N 1.160 122.374 121.223 -0.015 0.000 2.514 430 L HA -0.002 4.337 4.340 -0.000 0.000 0.280 430 L C 1.366 178.199 176.870 -0.062 0.000 1.223 430 L CA 0.155 55.005 54.840 0.017 0.000 0.864 430 L CB 0.993 43.084 42.059 0.053 0.000 1.118 430 L HN 0.251 nan 8.230 nan 0.000 0.494 431 V N 0.177 120.005 119.914 -0.144 0.000 3.590 431 V HA 0.161 4.280 4.120 -0.000 0.000 0.265 431 V C 0.398 176.380 176.094 -0.185 0.000 1.239 431 V CA -0.427 61.728 62.300 -0.240 0.000 1.117 431 V CB -1.019 30.488 31.823 -0.525 0.000 0.818 431 V HN 0.642 nan 8.190 nan 0.000 0.451 432 W N 2.062 123.323 121.300 -0.065 0.000 2.313 432 W HA 0.570 5.230 4.660 -0.000 0.000 0.328 432 W C -1.841 174.543 176.519 -0.226 0.000 1.197 432 W CA -2.384 54.865 57.345 -0.161 0.000 1.235 432 W CB -0.007 29.235 29.460 -0.363 0.000 1.158 432 W HN -0.032 nan 8.180 nan 0.000 0.578 433 P HA -0.112 nan 4.420 nan 0.000 0.268 433 P C 0.319 177.514 177.300 -0.176 0.000 1.208 433 P CA 0.397 63.449 63.100 -0.080 0.000 0.777 433 P CB 0.977 32.678 31.700 0.001 0.000 0.875 434 E N 2.196 122.380 120.200 -0.027 0.000 2.118 434 E HA -0.175 4.175 4.350 -0.000 0.000 0.195 434 E C 1.702 178.324 176.600 0.037 0.000 0.992 434 E CA 1.450 57.853 56.400 0.006 0.000 0.804 434 E CB -0.380 29.361 29.700 0.068 0.000 0.741 434 E HN 0.636 nan 8.360 nan 0.000 0.458 435 W N -0.281 121.057 121.300 0.063 0.000 2.421 435 W HA -0.142 4.518 4.660 -0.000 0.000 0.270 435 W C 1.288 177.859 176.519 0.087 0.000 1.233 435 W CA 0.422 57.816 57.345 0.082 0.000 1.226 435 W CB -0.688 28.833 29.460 0.102 0.000 1.121 435 W HN 0.085 nan 8.180 nan 0.000 0.579 436 M N 1.330 120.537 119.600 -0.654 0.000 2.476 436 M HA 0.107 4.587 4.480 -0.000 0.000 0.262 436 M C 1.743 177.898 176.300 -0.242 0.000 1.079 436 M CA 1.606 56.486 55.300 -0.700 0.000 1.104 436 M CB -0.774 31.203 32.600 -1.038 0.000 1.409 436 M HN 0.159 nan 8.290 nan 0.000 0.467 437 G N 0.479 109.203 108.800 -0.128 0.000 2.566 437 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.280 437 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.280 437 G C -0.190 174.684 174.900 -0.043 0.000 1.225 437 G CA -0.243 44.835 45.100 -0.036 0.000 0.966 437 G HN 0.216 nan 8.290 nan 0.000 0.560 438 V N 1.936 121.864 119.914 0.023 0.000 2.276 438 V HA 0.348 4.468 4.120 -0.000 0.000 0.249 438 V C 1.258 177.442 176.094 0.150 0.000 1.160 438 V CA -0.058 62.304 62.300 0.104 0.000 1.042 438 V CB -0.293 31.595 31.823 0.109 0.000 1.224 438 V HN 0.535 nan 8.190 nan 0.000 0.496 439 I N 2.751 123.359 120.570 0.063 0.000 2.948 439 I HA 0.002 4.171 4.170 -0.000 0.000 0.290 439 I C 1.025 177.358 176.117 0.361 0.000 1.226 439 I CA -0.144 61.198 61.300 0.070 0.000 1.413 439 I CB 0.080 37.859 38.000 -0.368 0.000 1.352 439 I HN 0.577 nan 8.210 nan 0.000 0.597 440 H N 4.249 123.476 119.070 0.262 0.000 3.107 440 H HA 0.206 4.762 4.556 -0.000 0.000 0.301 440 H C 0.900 176.377 175.328 0.249 0.000 0.981 440 H CA 0.867 57.054 56.048 0.232 0.000 1.443 440 H CB 0.112 29.978 29.762 0.173 0.000 1.479 440 H HN 0.730 nan 8.280 nan 0.000 0.564 441 G N 3.759 112.486 108.800 -0.121 0.000 2.194 441 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.236 441 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.236 441 G C 0.537 175.461 174.900 0.041 0.000 0.987 441 G CA 0.306 45.301 45.100 -0.174 0.000 0.635 441 G HN 0.607 nan 8.290 nan 0.000 0.520 442 Y N 1.691 122.105 120.300 0.189 0.000 2.471 442 Y HA 0.221 4.771 4.550 -0.000 0.000 0.286 442 Y C 2.330 178.296 175.900 0.110 0.000 1.188 442 Y CA 0.954 59.214 58.100 0.266 0.000 1.286 442 Y CB 0.332 39.004 38.460 0.354 0.000 1.072 442 Y HN 0.526 nan 8.280 nan 0.000 0.517 443 E N -0.147 119.925 120.200 -0.213 0.000 2.400 443 E HA -0.042 4.308 4.350 -0.000 0.000 0.195 443 E C 1.687 178.166 176.600 -0.202 0.000 1.012 443 E CA 0.524 56.432 56.400 -0.819 0.000 0.875 443 E CB -0.512 28.454 29.700 -1.223 0.000 0.859 443 E HN 0.484 nan 8.360 nan 0.000 0.498 444 I N 2.798 123.356 120.570 -0.020 0.000 2.091 444 I HA -0.338 3.832 4.170 -0.000 0.000 0.239 444 I C 2.653 178.811 176.117 0.069 0.000 1.061 444 I CA 2.341 63.701 61.300 0.101 0.000 1.317 444 I CB -0.591 37.519 38.000 0.185 0.000 1.031 444 I HN 0.222 nan 8.210 nan 0.000 0.401 445 E N 0.830 121.000 120.200 -0.049 0.000 2.219 445 E HA -0.254 4.096 4.350 -0.000 0.000 0.198 445 E C 2.002 178.432 176.600 -0.283 0.000 0.998 445 E CA 1.643 57.930 56.400 -0.188 0.000 0.818 445 E CB -0.551 28.992 29.700 -0.261 0.000 0.741 445 E HN 0.486 nan 8.360 nan 0.000 0.477 446 F N 0.743 120.590 119.950 -0.172 0.000 2.387 446 F HA 0.012 4.539 4.527 -0.000 0.000 0.294 446 F C 2.311 177.939 175.800 -0.287 0.000 1.093 446 F CA 0.382 58.246 58.000 -0.226 0.000 1.420 446 F CB 0.106 39.020 39.000 -0.143 0.000 1.086 446 F HN -0.133 nan 8.300 nan 0.000 0.531 447 V N -0.897 118.933 119.914 -0.140 0.000 2.515 447 V HA -0.258 3.862 4.120 -0.000 0.000 0.250 447 V C 1.611 177.482 176.094 -0.372 0.000 1.058 447 V CA 1.638 63.688 62.300 -0.417 0.000 1.064 447 V CB -0.580 31.005 31.823 -0.396 0.000 0.675 447 V HN 0.216 nan 8.190 nan 0.000 0.461 448 F N 0.299 120.116 119.950 -0.221 0.000 2.765 448 F HA 0.402 4.929 4.527 -0.000 0.000 0.302 448 F C 1.832 177.538 175.800 -0.157 0.000 1.111 448 F CA 0.631 58.528 58.000 -0.170 0.000 1.359 448 F CB -0.201 38.679 39.000 -0.199 0.000 1.097 448 F HN 0.248 nan 8.300 nan 0.000 0.577 449 G N 0.313 109.031 108.800 -0.138 0.000 2.147 449 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.244 449 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.244 449 G C 1.039 175.627 174.900 -0.521 0.000 1.005 449 G CA 0.297 45.244 45.100 -0.255 0.000 0.713 449 G HN 0.250 nan 8.290 nan 0.000 0.515 450 L N -0.536 120.352 121.223 -0.558 0.000 2.265 450 L HA -0.022 4.318 4.340 -0.000 0.000 0.215 450 L C -0.009 176.465 176.870 -0.660 0.000 1.117 450 L CA 2.062 56.524 54.840 -0.631 0.000 0.782 450 L CB -1.648 40.162 42.059 -0.415 0.000 0.914 450 L HN 0.199 nan 8.230 nan 0.000 0.441 451 P HA -0.050 nan 4.420 nan 0.000 0.233 451 P C 1.962 179.050 177.300 -0.353 0.000 1.167 451 P CA 0.635 63.203 63.100 -0.887 0.000 0.770 451 P CB 0.185 31.247 31.700 -1.065 0.000 0.837 452 L N -1.184 119.822 121.223 -0.361 0.000 2.376 452 L HA 0.003 4.343 4.340 -0.000 0.000 0.219 452 L C 1.075 177.838 176.870 -0.178 0.000 1.133 452 L CA 0.619 55.328 54.840 -0.217 0.000 0.816 452 L CB -0.410 41.545 42.059 -0.173 0.000 0.933 452 L HN -0.068 nan 8.230 nan 0.000 0.449 453 V N 0.243 120.006 119.914 -0.251 0.000 2.334 453 V HA 0.135 4.255 4.120 -0.000 0.000 0.267 453 V C 1.358 177.418 176.094 -0.057 0.000 1.040 453 V CA -0.665 61.550 62.300 -0.143 0.000 0.866 453 V CB 1.005 32.718 31.823 -0.184 0.000 1.019 453 V HN 0.131 nan 8.190 nan 0.000 0.468 454 K N 4.723 125.105 120.400 -0.030 0.000 2.052 454 K HA -0.203 4.117 4.320 -0.000 0.000 0.215 454 K C 1.787 178.376 176.600 -0.017 0.000 1.053 454 K CA 2.248 58.529 56.287 -0.011 0.000 0.934 454 K CB -0.458 32.035 32.500 -0.011 0.000 0.717 454 K HN 1.000 nan 8.250 nan 0.000 0.450 455 E N 1.293 121.476 120.200 -0.028 0.000 2.526 455 E HA -0.159 4.191 4.350 -0.000 0.000 0.205 455 E C 1.324 177.887 176.600 -0.061 0.000 1.104 455 E CA 0.675 57.050 56.400 -0.041 0.000 0.899 455 E CB -0.416 29.261 29.700 -0.039 0.000 0.838 455 E HN 0.369 nan 8.360 nan 0.000 0.564 456 L N -0.045 121.147 121.223 -0.052 0.000 2.640 456 L HA 0.174 4.513 4.340 -0.000 0.000 0.230 456 L C 0.186 176.923 176.870 -0.221 0.000 1.123 456 L CA -0.085 54.694 54.840 -0.102 0.000 0.900 456 L CB -0.425 41.639 42.059 0.009 0.000 1.146 456 L HN 0.101 nan 8.230 nan 0.000 0.484 457 N N -0.879 117.746 118.700 -0.125 0.000 2.747 457 N HA -0.222 4.518 4.740 -0.000 0.000 0.249 457 N C -0.604 174.804 175.510 -0.171 0.000 1.107 457 N CA 0.184 53.150 53.050 -0.140 0.000 0.707 457 N CB -0.923 37.465 38.487 -0.165 0.000 1.054 457 N HN 0.252 nan 8.380 nan 0.000 0.555 458 Y N 0.861 121.132 120.300 -0.048 0.000 2.300 458 Y HA 0.183 4.732 4.550 -0.000 0.000 0.328 458 Y C 1.779 177.689 175.900 0.015 0.000 1.270 458 Y CA 0.051 58.146 58.100 -0.008 0.000 1.352 458 Y CB 0.552 38.984 38.460 -0.046 0.000 1.286 458 Y HN 0.006 nan 8.280 nan 0.000 0.536 459 T N -1.760 112.925 114.554 0.218 0.000 2.726 459 T HA 0.337 4.686 4.350 -0.000 0.000 0.294 459 T C 1.225 175.995 174.700 0.116 0.000 1.013 459 T CA -0.264 61.917 62.100 0.134 0.000 0.996 459 T CB 0.908 69.856 68.868 0.133 0.000 1.016 459 T HN 0.755 nan 8.240 nan 0.000 0.529 460 A N 0.722 123.585 122.820 0.071 0.000 1.969 460 A HA -0.042 4.278 4.320 -0.000 0.000 0.218 460 A C 2.276 179.884 177.584 0.040 0.000 1.169 460 A CA 1.062 53.127 52.037 0.046 0.000 0.635 460 A CB -0.672 18.346 19.000 0.030 0.000 0.810 460 A HN 0.908 nan 8.150 nan 0.000 0.445 461 E N 0.697 120.925 120.200 0.046 0.000 2.274 461 E HA -0.152 4.198 4.350 -0.000 0.000 0.194 461 E C 1.263 177.868 176.600 0.009 0.000 0.996 461 E CA 1.076 57.487 56.400 0.019 0.000 0.840 461 E CB -0.499 29.211 29.700 0.018 0.000 0.772 461 E HN 0.792 nan 8.360 nan 0.000 0.491 462 E N 0.937 121.186 120.200 0.082 0.000 2.230 462 E HA -0.076 4.274 4.350 -0.000 0.000 0.192 462 E C 1.977 178.654 176.600 0.129 0.000 0.987 462 E CA 0.380 56.887 56.400 0.179 0.000 0.841 462 E CB 0.103 30.040 29.700 0.396 0.000 0.783 462 E HN 0.346 nan 8.360 nan 0.000 0.481 463 E N 1.035 121.263 120.200 0.045 0.000 2.047 463 E HA -0.166 4.184 4.350 -0.000 0.000 0.191 463 E C 2.078 178.669 176.600 -0.016 0.000 0.987 463 E CA 0.897 57.283 56.400 -0.023 0.000 0.799 463 E CB -0.010 29.678 29.700 -0.019 0.000 0.752 463 E HN 0.180 nan 8.360 nan 0.000 0.449 464 A N 1.283 124.098 122.820 -0.008 0.000 1.908 464 A HA -0.188 4.132 4.320 -0.000 0.000 0.218 464 A C 2.154 179.719 177.584 -0.031 0.000 1.181 464 A CA 1.398 53.420 52.037 -0.025 0.000 0.627 464 A CB -0.706 18.280 19.000 -0.023 0.000 0.818 464 A HN 0.390 nan 8.150 nan 0.000 0.445 465 L N -0.168 121.039 121.223 -0.027 0.000 2.042 465 L HA -0.119 4.221 4.340 -0.000 0.000 0.210 465 L C 2.555 179.431 176.870 0.010 0.000 1.076 465 L CA 2.718 57.524 54.840 -0.057 0.000 0.749 465 L CB -0.827 41.110 42.059 -0.202 0.000 0.893 465 L HN 0.337 nan 8.230 nan 0.000 0.432 466 S N -0.843 114.929 115.700 0.120 0.000 2.368 466 S HA -0.191 4.279 4.470 -0.000 0.000 0.225 466 S C 2.213 176.799 174.600 -0.023 0.000 1.030 466 S CA 1.259 59.526 58.200 0.112 0.000 0.999 466 S CB -0.252 62.961 63.200 0.022 0.000 0.844 466 S HN 0.540 nan 8.310 nan 0.000 0.459 467 R N 0.681 121.157 120.500 -0.040 0.000 2.081 467 R HA -0.044 4.296 4.340 -0.000 0.000 0.235 467 R C 2.614 178.874 176.300 -0.066 0.000 1.131 467 R CA 1.727 57.793 56.100 -0.056 0.000 0.960 467 R CB -0.240 30.020 30.300 -0.065 0.000 0.856 467 R HN 0.591 nan 8.270 nan 0.000 0.436 468 R N 0.081 120.521 120.500 -0.100 0.000 2.240 468 R HA 0.046 4.386 4.340 -0.000 0.000 0.203 468 R C 1.859 178.030 176.300 -0.216 0.000 1.011 468 R CA 0.884 56.855 56.100 -0.215 0.000 1.007 468 R CB -0.240 29.889 30.300 -0.285 0.000 0.911 468 R HN 0.199 nan 8.270 nan 0.000 0.468 469 I N 1.107 121.649 120.570 -0.048 0.000 2.286 469 I HA -0.156 4.014 4.170 -0.000 0.000 0.245 469 I C 2.389 178.495 176.117 -0.017 0.000 1.104 469 I CA 1.282 62.595 61.300 0.020 0.000 1.397 469 I CB -0.136 37.747 38.000 -0.195 0.000 1.072 469 I HN 0.196 nan 8.210 nan 0.000 0.417 470 M N -0.561 118.996 119.600 -0.072 0.000 2.175 470 M HA -0.227 4.253 4.480 -0.000 0.000 0.264 470 M C 2.360 178.739 176.300 0.133 0.000 1.063 470 M CA 1.612 56.892 55.300 -0.034 0.000 1.119 470 M CB -0.630 31.936 32.600 -0.056 0.000 1.377 470 M HN 0.240 nan 8.290 nan 0.000 0.415 471 H N -0.309 118.764 119.070 0.004 0.000 2.389 471 H HA -0.142 4.414 4.556 -0.000 0.000 0.299 471 H C 1.550 176.983 175.328 0.173 0.000 1.081 471 H CA 1.926 57.986 56.048 0.021 0.000 1.345 471 H CB -0.019 29.692 29.762 -0.085 0.000 1.393 471 H HN 0.258 nan 8.280 nan 0.000 0.520 472 Y N -0.747 119.730 120.300 0.295 0.000 2.128 472 Y HA -0.271 4.279 4.550 -0.000 0.000 0.284 472 Y C 2.589 178.667 175.900 0.296 0.000 1.154 472 Y CA 1.186 59.483 58.100 0.328 0.000 1.149 472 Y CB -1.046 37.804 38.460 0.649 0.000 0.976 472 Y HN 0.364 nan 8.280 nan 0.000 0.505 473 W N -0.437 120.970 121.300 0.178 0.000 2.333 473 W HA -0.258 4.402 4.660 -0.000 0.000 0.316 473 W C 2.610 179.129 176.519 -0.001 0.000 1.215 473 W CA 1.348 58.728 57.345 0.059 0.000 1.278 473 W CB -0.599 28.844 29.460 -0.028 0.000 1.154 473 W HN 0.071 nan 8.180 nan 0.000 0.486 474 A N -0.160 122.763 122.820 0.172 0.000 1.930 474 A HA -0.156 4.164 4.320 -0.000 0.000 0.217 474 A C 1.814 179.363 177.584 -0.058 0.000 1.175 474 A CA 2.197 54.244 52.037 0.016 0.000 0.627 474 A CB -1.136 17.863 19.000 -0.002 0.000 0.815 474 A HN 0.221 nan 8.150 nan 0.000 0.443 475 T N -0.875 113.609 114.554 -0.117 0.000 2.904 475 T HA -0.065 4.285 4.350 -0.000 0.000 0.267 475 T C 1.567 176.196 174.700 -0.117 0.000 1.059 475 T CA 1.363 63.362 62.100 -0.170 0.000 1.137 475 T CB -0.339 68.371 68.868 -0.263 0.000 0.879 475 T HN 0.510 nan 8.240 nan 0.000 0.467 476 F N 2.494 122.327 119.950 -0.195 0.000 2.084 476 F HA 0.069 4.596 4.527 -0.000 0.000 0.296 476 F C 2.452 178.137 175.800 -0.193 0.000 1.111 476 F CA 1.000 58.838 58.000 -0.270 0.000 1.224 476 F CB -0.780 37.994 39.000 -0.377 0.000 0.991 476 F HN 0.130 nan 8.300 nan 0.000 0.471 477 A N 0.447 123.139 122.820 -0.214 0.000 1.908 477 A HA -0.227 4.093 4.320 -0.000 0.000 0.218 477 A C 2.256 179.686 177.584 -0.255 0.000 1.181 477 A CA 2.093 53.986 52.037 -0.241 0.000 0.627 477 A CB -0.740 18.209 19.000 -0.085 0.000 0.818 477 A HN 0.512 nan 8.150 nan 0.000 0.445 478 K N -1.252 119.031 120.400 -0.195 0.000 2.001 478 K HA -0.088 4.232 4.320 -0.000 0.000 0.208 478 K C 2.174 178.663 176.600 -0.185 0.000 1.048 478 K CA 1.881 58.076 56.287 -0.154 0.000 0.932 478 K CB -0.221 32.212 32.500 -0.111 0.000 0.715 478 K HN 0.703 nan 8.250 nan 0.000 0.437 479 T N -4.397 110.023 114.554 -0.225 0.000 2.990 479 T HA 0.238 4.588 4.350 -0.000 0.000 0.249 479 T C 1.355 175.888 174.700 -0.277 0.000 1.039 479 T CA 0.520 62.498 62.100 -0.204 0.000 1.036 479 T CB 0.978 69.762 68.868 -0.140 0.000 0.994 479 T HN 0.341 nan 8.240 nan 0.000 0.489 480 G N 1.499 109.996 108.800 -0.505 0.000 2.176 480 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.232 480 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.232 480 G C -0.156 174.555 174.900 -0.316 0.000 0.986 480 G CA 0.010 44.746 45.100 -0.608 0.000 0.643 480 G HN 0.870 nan 8.290 nan 0.000 0.522 481 N N 0.073 118.610 118.700 -0.270 0.000 2.430 481 N HA 0.463 5.203 4.740 -0.000 0.000 0.290 481 N C -1.417 173.913 175.510 -0.300 0.000 1.063 481 N CA -1.667 51.191 53.050 -0.320 0.000 0.883 481 N CB 2.578 41.017 38.487 -0.080 0.000 1.465 481 N HN -0.032 nan 8.380 nan 0.000 0.493 482 P HA -0.061 nan 4.420 nan 0.000 0.226 482 P C -0.461 176.898 177.300 0.100 0.000 1.153 482 P CA 0.623 63.609 63.100 -0.189 0.000 0.777 482 P CB 0.318 31.709 31.700 -0.515 0.000 0.794 483 N N 1.509 120.244 118.700 0.058 0.000 2.514 483 N HA 0.080 4.819 4.740 -0.000 0.000 0.277 483 N C 0.023 175.620 175.510 0.144 0.000 1.126 483 N CA 0.038 53.212 53.050 0.207 0.000 0.978 483 N CB 1.037 39.654 38.487 0.216 0.000 1.106 483 N HN 0.146 nan 8.380 nan 0.000 0.461 484 E N 2.819 123.131 120.200 0.187 0.000 2.289 484 E HA 0.161 4.511 4.350 -0.000 0.000 0.278 484 E C -2.041 174.640 176.600 0.134 0.000 1.032 484 E CA -1.689 54.797 56.400 0.144 0.000 0.854 484 E CB 0.651 30.474 29.700 0.206 0.000 1.046 484 E HN 0.310 nan 8.360 nan 0.000 0.409 485 P HA -0.129 nan 4.420 nan 0.000 0.264 485 P C -0.939 176.450 177.300 0.149 0.000 1.183 485 P CA 0.597 63.740 63.100 0.072 0.000 0.763 485 P CB 0.177 31.835 31.700 -0.069 0.000 0.807 486 H N -1.558 117.552 119.070 0.066 0.000 2.385 486 H HA -0.115 4.441 4.556 -0.000 0.000 0.319 486 H C 0.274 175.640 175.328 0.064 0.000 0.985 486 H CA 0.029 56.113 56.048 0.059 0.000 1.067 486 H CB -1.149 28.640 29.762 0.045 0.000 1.610 486 H HN 0.413 nan 8.280 nan 0.000 0.361 487 S N 0.035 115.847 115.700 0.186 0.000 2.664 487 S HA 0.268 4.738 4.470 -0.000 0.000 0.304 487 S C 1.000 175.666 174.600 0.109 0.000 1.099 487 S CA -0.683 57.600 58.200 0.138 0.000 1.003 487 S CB 2.299 65.589 63.200 0.150 0.000 1.092 487 S HN 0.533 nan 8.310 nan 0.000 0.525 488 Q N 0.613 120.465 119.800 0.086 0.000 2.319 488 Q HA 0.175 4.515 4.340 -0.000 0.000 0.202 488 Q C -0.066 175.979 176.000 0.076 0.000 0.896 488 Q CA 0.147 55.991 55.803 0.068 0.000 0.942 488 Q CB 0.147 28.915 28.738 0.049 0.000 1.083 488 Q HN 0.748 nan 8.270 nan 0.000 0.510 489 E N -1.131 119.129 120.200 0.098 0.000 2.376 489 E HA 0.278 4.628 4.350 -0.000 0.000 0.254 489 E C -0.489 176.195 176.600 0.139 0.000 1.213 489 E CA -0.491 55.978 56.400 0.115 0.000 0.945 489 E CB 0.339 30.122 29.700 0.139 0.000 1.057 489 E HN -0.163 nan 8.360 nan 0.000 0.479 490 S N 0.661 116.453 115.700 0.155 0.000 2.565 490 S HA 0.181 4.651 4.470 -0.000 0.000 0.276 490 S C -0.098 174.638 174.600 0.228 0.000 1.326 490 S CA -0.776 57.519 58.200 0.158 0.000 1.045 490 S CB 0.338 63.618 63.200 0.133 0.000 0.918 490 S HN 0.262 nan 8.310 nan 0.000 0.505 491 K N 1.961 122.485 120.400 0.207 0.000 2.205 491 K HA 0.131 4.451 4.320 -0.000 0.000 0.279 491 K C -0.619 176.178 176.600 0.328 0.000 1.027 491 K CA -0.313 56.132 56.287 0.264 0.000 0.932 491 K CB 0.761 33.386 32.500 0.209 0.000 1.032 491 K HN 0.660 nan 8.250 nan 0.000 0.466 492 W N 7.312 128.708 121.300 0.160 0.000 2.311 492 W HA 0.217 4.877 4.660 -0.000 0.000 0.317 492 W C -2.385 174.277 176.519 0.238 0.000 1.065 492 W CA -2.823 54.610 57.345 0.148 0.000 1.364 492 W CB 0.159 29.636 29.460 0.030 0.000 1.233 492 W HN 0.371 nan 8.180 nan 0.000 0.409 493 P HA 0.018 nan 4.420 nan 0.000 0.274 493 P C 0.032 177.412 177.300 0.133 0.000 1.231 493 P CA -0.401 62.874 63.100 0.292 0.000 0.790 493 P CB 1.506 33.316 31.700 0.183 0.000 0.951 494 L N 2.253 123.412 121.223 -0.107 0.000 2.506 494 L HA 0.070 4.410 4.340 -0.000 0.000 0.281 494 L C 0.676 177.477 176.870 -0.115 0.000 1.228 494 L CA 0.280 54.876 54.840 -0.406 0.000 0.850 494 L CB -0.970 40.938 42.059 -0.251 0.000 1.110 494 L HN 0.444 nan 8.230 nan 0.000 0.496 495 F N 2.678 122.494 119.950 -0.223 0.000 2.411 495 F HA 0.411 4.938 4.527 -0.000 0.000 0.350 495 F C 0.383 176.154 175.800 -0.048 0.000 1.114 495 F CA -0.547 57.434 58.000 -0.031 0.000 1.135 495 F CB 1.130 40.148 39.000 0.030 0.000 1.120 495 F HN 0.560 nan 8.300 nan 0.000 0.495 496 T N 0.669 114.906 114.554 -0.528 0.000 2.924 496 T HA 0.246 4.596 4.350 -0.000 0.000 0.291 496 T C 0.959 175.368 174.700 -0.485 0.000 1.045 496 T CA -0.018 61.892 62.100 -0.316 0.000 1.015 496 T CB 1.363 70.114 68.868 -0.195 0.000 1.103 496 T HN 0.702 nan 8.240 nan 0.000 0.496 497 T N -1.089 113.347 114.554 -0.197 0.000 2.962 497 T HA -0.053 4.297 4.350 -0.000 0.000 0.270 497 T C 1.569 176.180 174.700 -0.149 0.000 1.088 497 T CA 0.743 62.768 62.100 -0.125 0.000 1.127 497 T CB -0.293 68.551 68.868 -0.039 0.000 0.883 497 T HN 0.505 nan 8.240 nan 0.000 0.493 498 K N 0.568 120.873 120.400 -0.158 0.000 2.029 498 K HA 0.103 4.423 4.320 -0.000 0.000 0.205 498 K C 2.203 178.723 176.600 -0.133 0.000 1.042 498 K CA 1.261 57.479 56.287 -0.116 0.000 0.949 498 K CB -0.187 32.259 32.500 -0.090 0.000 0.740 498 K HN 0.297 nan 8.250 nan 0.000 0.442 499 E N 0.793 120.887 120.200 -0.176 0.000 2.250 499 E HA 0.022 4.372 4.350 -0.000 0.000 0.192 499 E C -0.196 176.281 176.600 -0.206 0.000 0.986 499 E CA 0.248 56.556 56.400 -0.152 0.000 0.849 499 E CB 0.201 29.828 29.700 -0.122 0.000 0.797 499 E HN 0.207 nan 8.360 nan 0.000 0.482 500 Q N 0.117 119.637 119.800 -0.467 0.000 2.453 500 Q HA -0.241 4.099 4.340 -0.000 0.000 0.294 500 Q C -0.803 175.111 176.000 -0.143 0.000 1.295 500 Q CA 0.566 55.951 55.803 -0.697 0.000 0.853 500 Q CB -1.595 27.003 28.738 -0.233 0.000 1.193 500 Q HN 0.172 nan 8.270 nan 0.000 0.461 501 K N 0.529 120.874 120.400 -0.092 0.000 2.237 501 K HA 0.578 4.898 4.320 -0.000 0.000 0.270 501 K C 0.004 176.899 176.600 0.492 0.000 1.015 501 K CA 0.110 56.490 56.287 0.155 0.000 0.949 501 K CB 0.488 33.022 32.500 0.057 0.000 0.976 501 K HN 0.232 nan 8.250 nan 0.000 0.472 502 F N -0.143 119.981 119.950 0.291 0.000 2.745 502 F HA 0.632 5.158 4.527 -0.000 0.000 0.316 502 F C -1.174 174.743 175.800 0.196 0.000 1.155 502 F CA -1.459 56.743 58.000 0.337 0.000 0.937 502 F CB 0.789 39.991 39.000 0.336 0.000 1.361 502 F HN 0.411 nan 8.300 nan 0.000 0.472 503 I N -1.256 119.413 120.570 0.164 0.000 3.108 503 I HA 0.659 4.829 4.170 -0.000 0.000 0.312 503 I C -1.401 174.829 176.117 0.188 0.000 1.095 503 I CA -0.964 60.296 61.300 -0.066 0.000 1.000 503 I CB 2.156 39.901 38.000 -0.426 0.000 1.229 503 I HN 0.431 nan 8.210 nan 0.000 0.454 504 D N 2.703 123.202 120.400 0.165 0.000 2.175 504 D HA 0.473 5.113 4.640 -0.000 0.000 0.248 504 D C -1.015 175.344 176.300 0.099 0.000 1.047 504 D CA -0.012 54.142 54.000 0.257 0.000 0.883 504 D CB 2.396 43.350 40.800 0.256 0.000 1.180 504 D HN 0.230 nan 8.370 nan 0.000 0.438 505 L N 3.494 124.776 121.223 0.098 0.000 2.337 505 L HA 0.302 4.642 4.340 -0.000 0.000 0.269 505 L C -0.483 176.285 176.870 -0.170 0.000 1.018 505 L CA -0.358 54.496 54.840 0.023 0.000 0.876 505 L CB -0.209 41.946 42.059 0.161 0.000 1.236 505 L HN 0.505 nan 8.230 nan 0.000 0.436 506 N N -0.669 117.939 118.700 -0.154 0.000 3.378 506 N HA 0.259 4.999 4.740 -0.000 0.000 0.294 506 N C 0.536 175.936 175.510 -0.183 0.000 1.544 506 N CA -0.098 52.804 53.050 -0.246 0.000 0.872 506 N CB 0.295 38.697 38.487 -0.141 0.000 1.670 506 N HN 0.049 nan 8.380 nan 0.000 0.551 507 T N -3.103 111.337 114.554 -0.189 0.000 2.867 507 T HA -0.020 4.330 4.350 -0.000 0.000 0.268 507 T C 0.544 175.223 174.700 -0.035 0.000 1.057 507 T CA 0.898 62.921 62.100 -0.128 0.000 1.136 507 T CB -0.446 68.361 68.868 -0.102 0.000 0.874 507 T HN 0.558 nan 8.240 nan 0.000 0.466 508 E N 2.419 122.618 120.200 -0.002 0.000 2.438 508 E HA 0.137 4.487 4.350 -0.000 0.000 0.261 508 E C -2.450 174.162 176.600 0.020 0.000 1.103 508 E CA -1.740 54.672 56.400 0.021 0.000 0.959 508 E CB 0.272 29.996 29.700 0.040 0.000 0.958 508 E HN 0.194 nan 8.360 nan 0.000 0.447 509 P HA -0.075 nan 4.420 nan 0.000 0.267 509 P C -0.227 177.093 177.300 0.034 0.000 1.205 509 P CA 0.359 63.477 63.100 0.029 0.000 0.765 509 P CB 0.393 32.108 31.700 0.026 0.000 0.828 510 M N 3.253 122.880 119.600 0.046 0.000 2.199 510 M HA -0.111 4.369 4.480 -0.000 0.000 0.346 510 M C -0.330 175.977 176.300 0.011 0.000 1.120 510 M CA 1.299 56.624 55.300 0.041 0.000 0.932 510 M CB 0.028 32.671 32.600 0.072 0.000 1.724 510 M HN 0.258 nan 8.290 nan 0.000 0.465 511 K N 2.902 123.294 120.400 -0.014 0.000 2.469 511 K HA 0.616 4.936 4.320 -0.000 0.000 0.254 511 K C -1.720 174.764 176.600 -0.193 0.000 0.939 511 K CA -0.831 55.394 56.287 -0.104 0.000 0.812 511 K CB 2.522 34.965 32.500 -0.095 0.000 1.301 511 K HN 0.541 nan 8.250 nan 0.000 0.433 512 V N 3.666 123.400 119.914 -0.300 0.000 2.435 512 V HA 0.411 4.531 4.120 -0.000 0.000 0.290 512 V C -0.226 175.512 176.094 -0.593 0.000 1.030 512 V CA -0.673 61.434 62.300 -0.322 0.000 0.881 512 V CB 1.226 32.952 31.823 -0.163 0.000 0.983 512 V HN 0.724 nan 8.190 nan 0.000 0.445 513 H N 2.880 121.607 119.070 -0.573 0.000 2.812 513 H HA 0.662 5.217 4.556 -0.000 0.000 0.355 513 H C -1.010 174.000 175.328 -0.530 0.000 1.207 513 H CA -0.756 54.900 56.048 -0.653 0.000 1.217 513 H CB 2.460 31.584 29.762 -1.064 0.000 1.874 513 H HN 0.594 nan 8.280 nan 0.000 0.581 514 Q N 0.143 119.934 119.800 -0.016 0.000 2.456 514 Q HA 0.359 4.699 4.340 -0.000 0.000 0.283 514 Q C -0.645 175.587 176.000 0.386 0.000 1.084 514 Q CA -0.991 54.924 55.803 0.187 0.000 0.801 514 Q CB 2.843 31.623 28.738 0.070 0.000 1.434 514 Q HN 0.475 nan 8.270 nan 0.000 0.419 515 R N 0.881 121.597 120.500 0.360 0.000 3.127 515 R HA -0.209 4.131 4.340 -0.000 0.000 0.247 515 R C -0.552 175.897 176.300 0.248 0.000 0.896 515 R CA -0.124 56.137 56.100 0.270 0.000 0.624 515 R CB -1.506 28.892 30.300 0.162 0.000 1.154 515 R HN 0.441 nan 8.270 nan 0.000 0.474 516 L N 2.212 123.528 121.223 0.155 0.000 2.700 516 L HA -0.048 4.292 4.340 -0.000 0.000 0.272 516 L C 0.807 177.618 176.870 -0.099 0.000 1.176 516 L CA 0.859 55.548 54.840 -0.250 0.000 0.961 516 L CB -0.257 41.269 42.059 -0.888 0.000 1.249 516 L HN 0.450 nan 8.230 nan 0.000 0.487 517 R N 2.078 122.545 120.500 -0.054 0.000 3.405 517 R HA -0.211 4.129 4.340 -0.000 0.000 0.258 517 R C 1.280 177.632 176.300 0.086 0.000 1.030 517 R CA 0.614 56.728 56.100 0.023 0.000 0.691 517 R CB -1.994 28.328 30.300 0.036 0.000 1.093 517 R HN 0.777 nan 8.270 nan 0.000 0.448 518 V N -2.870 117.097 119.914 0.089 0.000 2.231 518 V HA -0.366 3.754 4.120 -0.000 0.000 0.248 518 V C 2.266 178.430 176.094 0.117 0.000 1.054 518 V CA 2.161 64.527 62.300 0.110 0.000 1.015 518 V CB -0.583 31.300 31.823 0.100 0.000 0.638 518 V HN 0.346 nan 8.190 nan 0.000 0.444 519 Q N -0.123 119.728 119.800 0.086 0.000 2.012 519 Q HA -0.239 4.101 4.340 -0.000 0.000 0.211 519 Q C 2.176 178.237 176.000 0.102 0.000 1.009 519 Q CA 2.724 58.564 55.803 0.062 0.000 0.866 519 Q CB -0.511 28.235 28.738 0.013 0.000 0.945 519 Q HN 0.598 nan 8.270 nan 0.000 0.414 520 M N -1.225 118.458 119.600 0.139 0.000 2.175 520 M HA -0.132 4.348 4.480 -0.000 0.000 0.264 520 M C 2.354 178.944 176.300 0.484 0.000 1.063 520 M CA 0.953 56.416 55.300 0.272 0.000 1.119 520 M CB -1.186 31.633 32.600 0.364 0.000 1.377 520 M HN 0.336 nan 8.290 nan 0.000 0.415 521 c N -0.344 118.477 118.600 0.369 0.000 2.472 521 c HA 0.010 4.580 4.570 -0.000 0.000 0.278 521 c C 2.878 177.137 174.090 0.282 0.000 1.447 521 c CA 0.109 56.655 56.329 0.362 0.000 1.773 521 c CB -0.907 41.746 42.510 0.240 0.000 1.793 521 c HN 0.308 nan 8.230 nan 0.000 0.544 522 V N 0.273 120.325 119.914 0.229 0.000 2.488 522 V HA -0.150 3.970 4.120 -0.000 0.000 0.246 522 V C 2.028 178.234 176.094 0.186 0.000 1.046 522 V CA 1.784 64.189 62.300 0.175 0.000 1.053 522 V CB -0.749 31.153 31.823 0.131 0.000 0.679 522 V HN 0.520 nan 8.190 nan 0.000 0.458 523 F N 0.324 120.310 119.950 0.060 0.000 2.046 523 F HA -0.217 4.310 4.527 -0.000 0.000 0.297 523 F C 2.012 177.814 175.800 0.004 0.000 1.123 523 F CA 1.868 59.855 58.000 -0.022 0.000 1.199 523 F CB -0.551 38.321 39.000 -0.215 0.000 0.972 523 F HN 0.169 nan 8.300 nan 0.000 0.474 524 W N 0.577 121.901 121.300 0.040 0.000 2.381 524 W HA -0.133 4.527 4.660 -0.000 0.000 0.301 524 W C 2.238 178.700 176.519 -0.095 0.000 1.205 524 W CA 1.083 58.388 57.345 -0.068 0.000 1.285 524 W CB -0.645 28.913 29.460 0.163 0.000 1.133 524 W HN -0.024 nan 8.180 nan 0.000 0.521 525 N N -0.633 118.182 118.700 0.192 0.000 2.416 525 N HA -0.040 4.700 4.740 -0.000 0.000 0.177 525 N C 1.371 176.880 175.510 -0.003 0.000 1.036 525 N CA 0.966 54.048 53.050 0.053 0.000 0.901 525 N CB -0.068 38.473 38.487 0.090 0.000 0.976 525 N HN 0.395 nan 8.380 nan 0.000 0.444 526 Q N -1.258 118.557 119.800 0.025 0.000 2.652 526 Q HA 0.203 4.543 4.340 -0.000 0.000 0.211 526 Q C 1.251 177.249 176.000 -0.003 0.000 0.858 526 Q CA -0.231 55.587 55.803 0.025 0.000 0.895 526 Q CB 0.093 28.882 28.738 0.084 0.000 1.194 526 Q HN 0.109 nan 8.270 nan 0.000 0.645 527 F N 1.752 121.611 119.950 -0.151 0.000 2.014 527 F HA -0.236 4.291 4.527 -0.000 0.000 0.295 527 F C 2.044 177.671 175.800 -0.289 0.000 1.145 527 F CA 1.367 59.255 58.000 -0.186 0.000 1.178 527 F CB -0.447 38.470 39.000 -0.138 0.000 0.972 527 F HN 0.085 nan 8.300 nan 0.000 0.476 528 L N 1.081 121.984 121.223 -0.532 0.000 2.043 528 L HA -0.148 4.192 4.340 -0.000 0.000 0.212 528 L C -0.911 175.706 176.870 -0.422 0.000 1.075 528 L CA 2.256 56.726 54.840 -0.617 0.000 0.752 528 L CB -1.853 39.731 42.059 -0.791 0.000 0.891 528 L HN 0.051 nan 8.230 nan 0.000 0.432 529 P HA -0.207 nan 4.420 nan 0.000 0.215 529 P C 1.470 178.630 177.300 -0.232 0.000 1.153 529 P CA 1.594 64.562 63.100 -0.219 0.000 0.853 529 P CB -0.068 31.535 31.700 -0.161 0.000 0.788 530 K N -0.236 120.004 120.400 -0.266 0.000 2.097 530 K HA -0.109 4.211 4.320 -0.000 0.000 0.205 530 K C 2.010 178.416 176.600 -0.323 0.000 1.050 530 K CA 0.901 57.037 56.287 -0.251 0.000 0.938 530 K CB -0.640 31.723 32.500 -0.228 0.000 0.718 530 K HN 0.084 nan 8.250 nan 0.000 0.442 531 L N 0.925 121.846 121.223 -0.504 0.000 2.093 531 L HA -0.114 4.226 4.340 -0.000 0.000 0.208 531 L C 1.873 178.577 176.870 -0.276 0.000 1.085 531 L CA 1.068 55.624 54.840 -0.474 0.000 0.755 531 L CB -0.045 41.600 42.059 -0.690 0.000 0.904 531 L HN 0.197 nan 8.230 nan 0.000 0.435 532 L N -0.218 120.854 121.223 -0.253 0.000 2.240 532 L HA -0.119 4.221 4.340 -0.000 0.000 0.211 532 L C 2.097 178.884 176.870 -0.137 0.000 1.106 532 L CA 0.845 55.580 54.840 -0.175 0.000 0.793 532 L CB -0.592 41.360 42.059 -0.179 0.000 0.927 532 L HN 0.360 nan 8.230 nan 0.000 0.446 533 N N 0.633 119.245 118.700 -0.146 0.000 2.135 533 N HA -0.106 4.634 4.740 -0.000 0.000 0.186 533 N C 1.821 177.277 175.510 -0.091 0.000 1.027 533 N CA 1.251 54.237 53.050 -0.107 0.000 0.849 533 N CB -0.018 38.405 38.487 -0.107 0.000 1.002 533 N HN 0.224 nan 8.380 nan 0.000 0.425 534 A N -0.924 121.832 122.820 -0.107 0.000 2.172 534 A HA 0.035 4.355 4.320 -0.000 0.000 0.216 534 A C 0.385 177.926 177.584 -0.071 0.000 1.154 534 A CA 1.429 53.415 52.037 -0.084 0.000 0.701 534 A CB -0.572 18.371 19.000 -0.096 0.000 0.789 534 A HN 0.306 nan 8.150 nan 0.000 0.465 535 T N -1.779 112.725 114.554 -0.082 0.000 4.081 535 T HA 0.174 4.524 4.350 -0.000 0.000 0.364 535 T C -0.149 174.513 174.700 -0.062 0.000 0.757 535 T CA 0.997 63.057 62.100 -0.066 0.000 2.003 535 T CB -2.323 66.519 68.868 -0.043 0.000 1.820 535 T HN 2.186 nan 8.240 nan 0.000 0.875 536 A N 0.000 122.771 122.820 -0.082 0.000 2.254 536 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 536 A CA 0.000 nan 52.037 nan 0.000 0.836 536 A CB 0.000 19.000 19.000 -0.000 0.000 0.831 536 A HN 0.000 nan 8.150 nan 0.000 0.486