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 1som_1_A DATA FIRST_RESID 4 DATA SEQUENCE SELLVNTKSG KVMGTRVPVL SSHISAFLGI PFAEPPVGNM RFRRPEPKKP DATA SEQUENCE WSGVWNASTY PNNcQQYVDE QFPGFSGSEM WNPNREMSED cLYLNIWVPS DATA SEQUENCE PRPKSTTVMV WIYGGGFYSG SSTLDVYNGK YLAYTEEVVL VSLSYRVGAF DATA SEQUENCE GFLALHGSQE APGNVGLLDQ RMALQWVHDN IQFFGGDPKT VTIFGESAGG DATA SEQUENCE ASVGMHILSP GSRDLFRRAI LQSGSPNCPW ASVSVAEGRR RAVELGRNLN DATA SEQUENCE cNLNSDEELI HcLREKKPQE LIDVEWNVLP FDSIFRFSFV PVIDGEFFPT DATA SEQUENCE SLESMLNSGN FKKTQILLGV NKDEGSFFLL YGAPGFSKDS ESKISREDFM DATA SEQUENCE SGVKLSVPHA NDLGLDAVTL QYTDWMDDNN GIKNRDGLDD IVGDHNVIcP DATA SEQUENCE LMHFVNKYTK FGNGTYLYFF NHRASNLVWP EWMGVIHGYE IEFVFGLPLV DATA SEQUENCE KELNYTAEEE ALSRRIMHYW ATFAKTGNPN EPXXXXSKWP LFTTKEQKFI DATA SEQUENCE DLNTEPMKVH QRLRVQMcVF WNQFLPKLLN AT VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 4 S HA 0.000 nan 4.470 nan 0.000 0.327 4 S C 0.000 174.654 174.600 0.089 0.000 1.055 4 S CA 0.000 58.235 58.200 0.059 0.000 1.107 4 S CB 0.000 63.235 63.200 0.058 0.000 0.593 5 E N 3.010 123.267 120.200 0.094 0.000 2.160 5 E HA -0.054 4.295 4.350 -0.001 0.000 0.195 5 E C 1.085 177.820 176.600 0.224 0.000 0.991 5 E CA 1.375 57.858 56.400 0.140 0.000 0.810 5 E CB -0.045 29.724 29.700 0.115 0.000 0.742 5 E HN 0.750 nan 8.360 nan 0.000 0.466 6 L N 0.819 122.141 121.223 0.165 0.000 2.591 6 L HA 0.164 4.503 4.340 -0.001 0.000 0.228 6 L C 0.098 177.166 176.870 0.330 0.000 1.133 6 L CA -0.385 54.558 54.840 0.172 0.000 0.880 6 L CB 0.269 42.322 42.059 -0.010 0.000 1.033 6 L HN 0.123 nan 8.230 nan 0.000 0.450 7 L N 0.646 122.033 121.223 0.273 0.000 2.325 7 L HA 0.592 4.931 4.340 -0.001 0.000 0.281 7 L C -0.688 176.274 176.870 0.154 0.000 1.004 7 L CA -0.344 54.639 54.840 0.238 0.000 0.823 7 L CB 1.720 43.860 42.059 0.135 0.000 1.236 7 L HN -0.310 nan 8.230 nan 0.000 0.415 8 V N 4.616 124.590 119.914 0.101 0.000 2.656 8 V HA 0.507 4.626 4.120 -0.001 0.000 0.307 8 V C -0.474 175.533 176.094 -0.145 0.000 1.051 8 V CA -0.834 61.350 62.300 -0.194 0.000 0.893 8 V CB 1.978 33.334 31.823 -0.779 0.000 0.999 8 V HN 0.730 nan 8.190 nan 0.000 0.426 9 N N 2.882 121.441 118.700 -0.235 0.000 2.439 9 N HA 0.433 5.173 4.740 -0.001 0.000 0.249 9 N C -0.115 175.091 175.510 -0.506 0.000 1.003 9 N CA 0.012 52.900 53.050 -0.270 0.000 0.942 9 N CB 1.787 40.102 38.487 -0.287 0.000 1.115 9 N HN 0.959 nan 8.380 nan 0.000 0.505 10 T N -0.316 114.048 114.554 -0.318 0.000 2.919 10 T HA 0.391 4.741 4.350 -0.001 0.000 0.282 10 T C 1.161 175.634 174.700 -0.377 0.000 1.020 10 T CA -0.534 61.353 62.100 -0.356 0.000 0.994 10 T CB 1.399 70.327 68.868 0.101 0.000 1.180 10 T HN 0.291 nan 8.240 nan 0.000 0.566 11 K N 0.133 120.364 120.400 -0.282 0.000 2.362 11 K HA 0.060 4.379 4.320 -0.001 0.000 0.200 11 K C 1.981 178.448 176.600 -0.222 0.000 1.046 11 K CA 0.766 56.920 56.287 -0.221 0.000 0.952 11 K CB -0.049 32.376 32.500 -0.125 0.000 0.753 11 K HN 0.400 nan 8.250 nan 0.000 0.466 12 S N -0.222 115.345 115.700 -0.221 0.000 2.517 12 S HA 0.185 4.655 4.470 -0.001 0.000 0.214 12 S C 0.468 174.338 174.600 -1.216 0.000 0.991 12 S CA 0.286 58.215 58.200 -0.451 0.000 0.906 12 S CB 0.889 64.042 63.200 -0.077 0.000 0.789 12 S HN 0.547 nan 8.310 nan 0.000 0.513 13 G N 0.898 109.193 108.800 -0.842 0.000 2.369 13 G HA2 0.137 4.096 3.960 -0.001 0.000 0.307 13 G HA3 0.137 4.096 3.960 -0.001 0.000 0.307 13 G C -1.764 173.096 174.900 -0.065 0.000 1.327 13 G CA -1.116 43.483 45.100 -0.836 0.000 0.963 13 G HN 0.090 nan 8.290 nan 0.000 0.590 14 K N -0.933 119.616 120.400 0.247 0.000 2.144 14 K HA 0.653 4.972 4.320 -0.001 0.000 0.270 14 K C -0.654 176.319 176.600 0.621 0.000 1.005 14 K CA -0.594 55.893 56.287 0.333 0.000 0.932 14 K CB 2.114 34.748 32.500 0.223 0.000 1.021 14 K HN 0.497 nan 8.250 nan 0.000 0.462 15 V N 3.519 123.725 119.914 0.487 0.000 2.709 15 V HA 0.410 4.529 4.120 -0.001 0.000 0.308 15 V C -1.521 174.874 176.094 0.501 0.000 1.062 15 V CA -0.907 61.737 62.300 0.574 0.000 0.901 15 V CB 1.946 34.164 31.823 0.658 0.000 1.003 15 V HN 0.726 nan 8.190 nan 0.000 0.425 16 M N 5.971 125.823 119.600 0.420 0.000 2.114 16 M HA 0.761 5.241 4.480 -0.001 0.000 0.332 16 M C 0.179 176.587 176.300 0.180 0.000 1.014 16 M CA 0.122 55.594 55.300 0.286 0.000 0.956 16 M CB 0.990 33.678 32.600 0.146 0.000 1.551 16 M HN 0.717 nan 8.290 nan 0.000 0.427 17 G N 1.710 110.499 108.800 -0.018 0.000 2.509 17 G HA2 0.611 4.571 3.960 -0.001 0.000 0.269 17 G HA3 0.611 4.571 3.960 -0.001 0.000 0.269 17 G C -1.021 173.663 174.900 -0.360 0.000 1.416 17 G CA -0.334 44.423 45.100 -0.571 0.000 1.052 17 G HN 0.678 nan 8.290 nan 0.000 0.542 18 T N -1.600 112.696 114.554 -0.431 0.000 2.923 18 T HA 0.508 4.858 4.350 -0.001 0.000 0.311 18 T C -0.757 173.815 174.700 -0.214 0.000 1.183 18 T CA -0.689 61.264 62.100 -0.246 0.000 1.020 18 T CB 1.519 70.268 68.868 -0.198 0.000 1.165 18 T HN 0.625 nan 8.240 nan 0.000 0.482 19 R N 2.634 123.061 120.500 -0.121 0.000 2.308 19 R HA 0.686 5.025 4.340 -0.001 0.000 0.305 19 R C -0.570 175.730 176.300 -0.000 0.000 1.053 19 R CA -0.501 55.567 56.100 -0.052 0.000 0.957 19 R CB 0.604 30.871 30.300 -0.054 0.000 1.022 19 R HN 0.514 nan 8.270 nan 0.000 0.461 20 V N 2.383 122.331 119.914 0.057 0.000 2.735 20 V HA 0.716 4.836 4.120 -0.001 0.000 0.310 20 V C -2.670 173.466 176.094 0.070 0.000 1.061 20 V CA -2.617 59.719 62.300 0.059 0.000 0.913 20 V CB 1.884 33.729 31.823 0.036 0.000 1.005 20 V HN 0.803 nan 8.190 nan 0.000 0.428 21 P HA 0.552 nan 4.420 nan 0.000 0.277 21 P C -1.077 176.069 177.300 -0.256 0.000 1.240 21 P CA -0.361 62.595 63.100 -0.239 0.000 0.798 21 P CB 1.794 33.384 31.700 -0.183 0.000 0.979 22 V N 3.389 123.072 119.914 -0.386 0.000 2.775 22 V HA 0.084 4.204 4.120 -0.001 0.000 0.295 22 V C 0.561 176.399 176.094 -0.427 0.000 1.226 22 V CA -0.803 61.278 62.300 -0.364 0.000 0.934 22 V CB 1.341 32.878 31.823 -0.477 0.000 1.056 22 V HN 0.497 nan 8.190 nan 0.000 0.436 23 L N 4.322 125.439 121.223 -0.176 0.000 3.833 23 L HA -0.279 4.061 4.340 -0.001 0.000 0.447 23 L C 1.159 177.920 176.870 -0.182 0.000 1.213 23 L CA 0.967 55.730 54.840 -0.127 0.000 0.801 23 L CB -1.359 40.678 42.059 -0.036 0.000 1.676 23 L HN 1.494 nan 8.230 nan 0.000 0.883 24 S N -3.316 112.265 115.700 -0.199 0.000 3.490 24 S HA -0.225 4.244 4.470 -0.001 0.000 0.301 24 S C 0.169 174.630 174.600 -0.232 0.000 1.233 24 S CA 1.327 59.421 58.200 -0.176 0.000 0.914 24 S CB -1.289 61.866 63.200 -0.074 0.000 1.047 24 S HN 1.027 nan 8.310 nan 0.000 0.602 25 S N -0.523 114.924 115.700 -0.422 0.000 2.998 25 S HA 0.883 5.352 4.470 -0.001 0.000 0.323 25 S C -1.251 172.921 174.600 -0.712 0.000 1.141 25 S CA -0.266 57.706 58.200 -0.378 0.000 0.873 25 S CB 1.180 64.230 63.200 -0.251 0.000 1.315 25 S HN 0.800 nan 8.310 nan 0.000 0.637 26 H N -0.296 118.709 119.070 -0.108 0.000 3.046 26 H HA 0.712 5.268 4.556 -0.001 0.000 0.361 26 H C -0.576 174.768 175.328 0.027 0.000 1.235 26 H CA -0.356 55.657 56.048 -0.058 0.000 1.146 26 H CB 1.376 31.128 29.762 -0.017 0.000 1.859 26 H HN 0.753 nan 8.280 nan 0.000 0.548 27 I N -2.137 118.536 120.570 0.172 0.000 3.354 27 I HA 0.760 4.929 4.170 -0.001 0.000 0.316 27 I C -0.989 175.226 176.117 0.164 0.000 1.182 27 I CA -1.074 60.349 61.300 0.206 0.000 0.942 27 I CB 2.504 40.658 38.000 0.257 0.000 1.299 27 I HN 0.440 nan 8.210 nan 0.000 0.473 28 S N 1.187 116.993 115.700 0.176 0.000 2.617 28 S HA 0.859 5.329 4.470 -0.001 0.000 0.283 28 S C -0.306 174.295 174.600 0.001 0.000 1.189 28 S CA -0.584 57.645 58.200 0.049 0.000 1.036 28 S CB 1.588 64.860 63.200 0.121 0.000 1.014 28 S HN 0.910 nan 8.310 nan 0.000 0.522 29 A N 1.670 124.304 122.820 -0.309 0.000 2.374 29 A HA 0.777 5.096 4.320 -0.001 0.000 0.305 29 A C -1.464 175.741 177.584 -0.633 0.000 1.053 29 A CA -0.667 51.115 52.037 -0.425 0.000 0.726 29 A CB 0.553 19.276 19.000 -0.462 0.000 1.229 29 A HN 0.633 nan 8.150 nan 0.000 0.431 30 F N 2.740 122.547 119.950 -0.237 0.000 2.366 30 F HA 0.463 4.990 4.527 -0.001 0.000 0.366 30 F C -0.117 175.552 175.800 -0.218 0.000 1.096 30 F CA -0.410 57.530 58.000 -0.100 0.000 1.060 30 F CB 1.278 40.317 39.000 0.065 0.000 1.282 30 F HN 0.359 nan 8.300 nan 0.000 0.450 31 L N 2.303 123.461 121.223 -0.108 0.000 2.325 31 L HA 0.639 4.979 4.340 -0.001 0.000 0.279 31 L C 1.033 177.920 176.870 0.027 0.000 1.054 31 L CA -0.902 53.864 54.840 -0.123 0.000 0.804 31 L CB 1.419 43.316 42.059 -0.269 0.000 1.200 31 L HN 0.853 nan 8.230 nan 0.000 0.436 32 G N 3.233 112.076 108.800 0.072 0.000 2.246 32 G HA2 -0.265 3.695 3.960 -0.001 0.000 0.273 32 G HA3 -0.265 3.695 3.960 -0.001 0.000 0.273 32 G C -0.053 174.921 174.900 0.124 0.000 1.055 32 G CA -0.275 44.878 45.100 0.088 0.000 0.851 32 G HN 0.498 nan 8.290 nan 0.000 0.500 33 I N 2.253 122.809 120.570 -0.023 0.000 2.471 33 I HA 0.200 4.370 4.170 -0.001 0.000 0.286 33 I C -1.241 174.637 176.117 -0.399 0.000 1.079 33 I CA -1.968 59.132 61.300 -0.333 0.000 1.398 33 I CB 1.030 38.830 38.000 -0.332 0.000 1.403 33 I HN 0.025 nan 8.210 nan 0.000 0.530 34 P HA 0.057 nan 4.420 nan 0.000 0.275 34 P C -0.384 176.512 177.300 -0.673 0.000 1.227 34 P CA 0.014 62.560 63.100 -0.923 0.000 0.781 34 P CB 0.723 31.800 31.700 -1.038 0.000 0.906 35 F N 0.349 119.944 119.950 -0.592 0.000 2.798 35 F HA 0.734 5.260 4.527 -0.001 0.000 0.328 35 F C -0.075 175.613 175.800 -0.186 0.000 1.098 35 F CA -0.909 56.829 58.000 -0.437 0.000 1.172 35 F CB 0.033 38.761 39.000 -0.453 0.000 1.072 35 F HN 0.359 nan 8.300 nan 0.000 0.555 36 A N 0.031 122.527 122.820 -0.540 0.000 2.587 36 A HA 0.633 4.952 4.320 -0.001 0.000 0.293 36 A C -0.833 176.570 177.584 -0.301 0.000 1.087 36 A CA -0.720 51.144 52.037 -0.289 0.000 0.692 36 A CB 1.143 19.951 19.000 -0.321 0.000 1.291 36 A HN 0.039 nan 8.150 nan 0.000 0.407 37 E N 0.808 120.923 120.200 -0.141 0.000 2.398 37 E HA 0.271 4.621 4.350 -0.001 0.000 0.263 37 E C -2.329 174.180 176.600 -0.152 0.000 1.046 37 E CA -1.405 54.931 56.400 -0.105 0.000 0.908 37 E CB 0.126 29.806 29.700 -0.034 0.000 0.963 37 E HN 0.238 nan 8.360 nan 0.000 0.431 38 P HA 0.041 nan 4.420 nan 0.000 0.266 38 P C -2.211 175.037 177.300 -0.088 0.000 1.215 38 P CA -0.787 62.246 63.100 -0.112 0.000 0.763 38 P CB 0.062 31.733 31.700 -0.048 0.000 0.806 39 P HA 0.009 nan 4.420 nan 0.000 0.226 39 P C -0.359 176.886 177.300 -0.092 0.000 1.783 39 P CA 0.139 63.188 63.100 -0.084 0.000 0.980 39 P CB -0.078 31.573 31.700 -0.082 0.000 1.967 40 V N -2.386 117.482 119.914 -0.076 0.000 3.019 40 V HA 0.908 5.027 4.120 -0.001 0.000 0.317 40 V C 0.860 176.914 176.094 -0.067 0.000 1.094 40 V CA 0.092 62.346 62.300 -0.077 0.000 1.000 40 V CB 0.913 32.701 31.823 -0.058 0.000 1.060 40 V HN 0.563 nan 8.190 nan 0.000 0.443 41 G N 1.537 110.296 108.800 -0.069 0.000 2.591 41 G HA2 -0.346 3.614 3.960 -0.001 0.000 0.298 41 G HA3 -0.346 3.614 3.960 -0.001 0.000 0.298 41 G C 0.886 175.748 174.900 -0.063 0.000 1.195 41 G CA 1.381 46.448 45.100 -0.055 0.000 0.989 41 G HN 2.123 nan 8.290 nan 0.000 0.551 42 N N -0.558 118.122 118.700 -0.033 0.000 2.550 42 N HA 0.206 4.946 4.740 -0.001 0.000 0.186 42 N C 2.047 177.550 175.510 -0.013 0.000 1.110 42 N CA 2.181 55.222 53.050 -0.014 0.000 0.912 42 N CB -0.314 38.180 38.487 0.011 0.000 0.968 42 N HN 0.514 nan 8.380 nan 0.000 0.448 43 M N 0.025 119.605 119.600 -0.034 0.000 2.561 43 M HA 0.157 4.637 4.480 -0.001 0.000 0.238 43 M C 0.971 177.228 176.300 -0.072 0.000 1.131 43 M CA -0.135 55.146 55.300 -0.031 0.000 1.046 43 M CB -0.796 31.786 32.600 -0.030 0.000 1.532 43 M HN 0.374 nan 8.290 nan 0.000 0.497 44 R N 0.381 120.787 120.500 -0.156 0.000 2.489 44 R HA 0.040 4.379 4.340 -0.001 0.000 0.287 44 R C -0.316 175.754 176.300 -0.385 0.000 1.053 44 R CA 0.488 56.363 56.100 -0.375 0.000 1.036 44 R CB 0.172 30.122 30.300 -0.584 0.000 0.966 44 R HN 0.200 nan 8.270 nan 0.000 0.432 45 F N -0.257 119.690 119.950 -0.005 0.000 2.496 45 F HA -0.288 4.239 4.527 -0.001 0.000 0.523 45 F C 0.492 176.271 175.800 -0.036 0.000 0.526 45 F CA 0.865 58.838 58.000 -0.045 0.000 1.272 45 F CB -1.383 37.578 39.000 -0.065 0.000 1.968 45 F HN 0.622 nan 8.300 nan 0.000 0.263 46 R N 1.466 122.033 120.500 0.111 0.000 2.637 46 R HA 0.501 4.840 4.340 -0.001 0.000 0.269 46 R C 0.628 176.954 176.300 0.043 0.000 1.089 46 R CA -0.817 55.326 56.100 0.072 0.000 1.177 46 R CB 0.441 30.769 30.300 0.047 0.000 1.091 46 R HN 0.125 nan 8.270 nan 0.000 0.540 47 R N 1.862 122.388 120.500 0.043 0.000 2.679 47 R HA 0.064 4.404 4.340 -0.001 0.000 0.268 47 R C -1.885 174.438 176.300 0.039 0.000 1.044 47 R CA -1.012 55.113 56.100 0.042 0.000 1.105 47 R CB -0.117 30.213 30.300 0.051 0.000 0.989 47 R HN 0.422 nan 8.270 nan 0.000 0.447 48 P HA 0.080 nan 4.420 nan 0.000 0.275 48 P C -0.951 176.381 177.300 0.052 0.000 1.228 48 P CA -0.098 63.030 63.100 0.047 0.000 0.786 48 P CB 0.969 32.724 31.700 0.091 0.000 0.927 49 E N 2.754 122.973 120.200 0.032 0.000 2.191 49 E HA 0.408 4.758 4.350 -0.001 0.000 0.274 49 E C -2.218 174.413 176.600 0.051 0.000 0.948 49 E CA -2.732 53.692 56.400 0.040 0.000 0.802 49 E CB 0.814 30.528 29.700 0.024 0.000 1.137 49 E HN 0.338 nan 8.360 nan 0.000 0.397 50 P HA 0.023 nan 4.420 nan 0.000 0.269 50 P C -0.779 176.572 177.300 0.086 0.000 1.209 50 P CA -0.405 62.763 63.100 0.112 0.000 0.776 50 P CB 0.604 32.380 31.700 0.127 0.000 0.876 51 K N 3.508 123.966 120.400 0.097 0.000 2.447 51 K HA 0.038 4.357 4.320 -0.001 0.000 0.281 51 K C 0.203 176.888 176.600 0.141 0.000 1.031 51 K CA 0.241 56.581 56.287 0.088 0.000 1.019 51 K CB -0.027 32.523 32.500 0.085 0.000 0.918 51 K HN 0.185 nan 8.250 nan 0.000 0.476 52 K N 5.776 126.258 120.400 0.135 0.000 2.401 52 K HA 0.160 4.480 4.320 -0.001 0.000 0.278 52 K C -2.253 174.439 176.600 0.153 0.000 1.018 52 K CA -1.759 54.601 56.287 0.122 0.000 0.981 52 K CB 0.093 32.660 32.500 0.113 0.000 0.933 52 K HN 0.538 nan 8.250 nan 0.000 0.477 53 P HA -0.015 nan 4.420 nan 0.000 0.267 53 P C -0.836 176.458 177.300 -0.011 0.000 1.200 53 P CA 0.024 63.033 63.100 -0.151 0.000 0.772 53 P CB 0.254 31.833 31.700 -0.201 0.000 0.855 54 W N 1.415 122.799 121.300 0.140 0.000 2.639 54 W HA 0.698 5.358 4.660 -0.001 0.000 0.347 54 W C -0.493 176.103 176.519 0.129 0.000 1.067 54 W CA -0.877 56.565 57.345 0.162 0.000 1.218 54 W CB 0.072 29.701 29.460 0.281 0.000 1.393 54 W HN 0.375 nan 8.180 nan 0.000 0.557 55 S N 1.613 117.465 115.700 0.254 0.000 2.730 55 S HA 0.889 5.359 4.470 -0.001 0.000 0.284 55 S C 0.498 175.282 174.600 0.307 0.000 1.153 55 S CA -0.062 58.234 58.200 0.161 0.000 0.995 55 S CB 0.806 64.065 63.200 0.097 0.000 1.058 55 S HN 2.169 nan 8.310 nan 0.000 0.552 56 G N -0.810 108.116 108.800 0.210 0.000 2.741 56 G HA2 -0.086 3.874 3.960 -0.001 0.000 0.222 56 G HA3 -0.086 3.874 3.960 -0.001 0.000 0.222 56 G C -0.842 174.254 174.900 0.327 0.000 1.364 56 G CA -0.387 44.841 45.100 0.212 0.000 0.866 56 G HN 1.607 nan 8.290 nan 0.000 0.555 57 V N 0.742 120.796 119.914 0.235 0.000 2.384 57 V HA 0.476 4.596 4.120 -0.001 0.000 0.287 57 V C 0.345 176.537 176.094 0.162 0.000 1.020 57 V CA -0.569 61.889 62.300 0.263 0.000 0.850 57 V CB 1.727 33.645 31.823 0.159 0.000 0.987 57 V HN 0.707 nan 8.190 nan 0.000 0.436 58 W N 5.537 126.895 121.300 0.096 0.000 2.304 58 W HA 0.199 4.858 4.660 -0.001 0.000 0.313 58 W C 0.284 176.776 176.519 -0.045 0.000 1.323 58 W CA -0.341 56.889 57.345 -0.192 0.000 1.223 58 W CB 0.798 29.939 29.460 -0.530 0.000 1.237 58 W HN 0.625 nan 8.180 nan 0.000 0.535 59 N N 4.596 123.072 118.700 -0.374 0.000 2.405 59 N HA 0.175 4.915 4.740 -0.001 0.000 0.260 59 N C -0.423 175.127 175.510 0.067 0.000 1.152 59 N CA 0.283 53.251 53.050 -0.137 0.000 0.948 59 N CB 1.039 39.380 38.487 -0.244 0.000 1.111 59 N HN 0.395 nan 8.380 nan 0.000 0.485 60 A N 2.773 125.706 122.820 0.189 0.000 3.041 60 A HA 0.179 4.499 4.320 -0.001 0.000 0.307 60 A C 1.037 178.622 177.584 0.002 0.000 1.116 60 A CA -0.410 51.751 52.037 0.208 0.000 1.001 60 A CB -0.438 18.769 19.000 0.345 0.000 1.112 60 A HN 0.639 nan 8.150 nan 0.000 0.556 61 S N -0.862 114.806 115.700 -0.052 0.000 2.535 61 S HA 0.168 4.637 4.470 -0.001 0.000 0.214 61 S C 0.776 175.283 174.600 -0.155 0.000 0.980 61 S CA 0.627 58.750 58.200 -0.127 0.000 0.907 61 S CB -0.280 62.855 63.200 -0.109 0.000 0.790 61 S HN 0.891 nan 8.310 nan 0.000 0.510 62 T N -1.181 113.300 114.554 -0.122 0.000 2.903 62 T HA 0.625 4.975 4.350 -0.001 0.000 0.299 62 T C -0.863 173.798 174.700 -0.066 0.000 1.093 62 T CA -0.785 61.236 62.100 -0.132 0.000 1.002 62 T CB 0.685 69.503 68.868 -0.084 0.000 1.127 62 T HN 0.051 nan 8.240 nan 0.000 0.488 63 Y N 2.870 123.130 120.300 -0.065 0.000 2.683 63 Y HA 0.308 4.858 4.550 -0.001 0.000 0.340 63 Y C -1.339 174.490 175.900 -0.118 0.000 1.245 63 Y CA -1.161 56.900 58.100 -0.066 0.000 1.485 63 Y CB 0.069 38.510 38.460 -0.031 0.000 1.328 63 Y HN 0.553 nan 8.280 nan 0.000 0.603 64 P HA 0.116 nan 4.420 nan 0.000 0.282 64 P C -0.680 176.525 177.300 -0.158 0.000 1.287 64 P CA -0.560 62.402 63.100 -0.230 0.000 0.792 64 P CB 0.982 32.451 31.700 -0.385 0.000 1.163 65 N N 0.258 118.833 118.700 -0.209 0.000 2.371 65 N HA 0.106 4.846 4.740 -0.001 0.000 0.243 65 N C 0.037 175.500 175.510 -0.079 0.000 1.287 65 N CA 0.217 53.196 53.050 -0.120 0.000 0.911 65 N CB -0.119 38.306 38.487 -0.103 0.000 1.142 65 N HN 0.427 nan 8.380 nan 0.000 0.451 66 N N -0.848 117.800 118.700 -0.086 0.000 2.472 66 N HA 0.322 5.062 4.740 -0.001 0.000 0.289 66 N C -0.399 175.059 175.510 -0.086 0.000 1.156 66 N CA -0.725 52.272 53.050 -0.089 0.000 0.940 66 N CB 1.079 39.485 38.487 -0.135 0.000 1.200 66 N HN 0.408 nan 8.380 nan 0.000 0.511 67 c N 0.990 119.543 118.600 -0.079 0.000 2.727 67 c HA 0.029 4.598 4.570 -0.001 0.000 0.401 67 c C 0.677 174.671 174.090 -0.160 0.000 1.294 67 c CA -0.490 55.770 56.329 -0.115 0.000 2.134 67 c CB -0.163 42.303 42.510 -0.072 0.000 2.724 67 c HN 0.526 nan 8.230 nan 0.000 0.677 68 Q N 2.322 121.944 119.800 -0.298 0.000 2.311 68 Q HA 0.260 4.600 4.340 -0.001 0.000 0.272 68 Q C -0.095 175.852 176.000 -0.090 0.000 1.012 68 Q CA 0.854 56.472 55.803 -0.307 0.000 0.891 68 Q CB 0.671 28.981 28.738 -0.713 0.000 1.201 68 Q HN 0.872 nan 8.270 nan 0.000 0.391 69 Q N 1.374 121.211 119.800 0.062 0.000 2.575 69 Q HA 0.288 4.628 4.340 -0.001 0.000 0.290 69 Q C -1.231 174.950 176.000 0.303 0.000 0.963 69 Q CA -1.013 54.928 55.803 0.230 0.000 0.783 69 Q CB 0.746 29.578 28.738 0.157 0.000 1.467 69 Q HN 0.478 nan 8.270 nan 0.000 0.402 70 Y N 1.046 121.551 120.300 0.342 0.000 2.702 70 Y HA 0.300 4.849 4.550 -0.001 0.000 0.336 70 Y C -1.014 175.063 175.900 0.295 0.000 1.235 70 Y CA 0.458 58.787 58.100 0.381 0.000 1.492 70 Y CB 0.803 39.626 38.460 0.605 0.000 1.308 70 Y HN 0.444 nan 8.280 nan 0.000 0.589 71 V N 6.682 126.356 119.914 -0.400 0.000 2.448 71 V HA 0.131 4.250 4.120 -0.001 0.000 0.295 71 V C -0.568 175.247 176.094 -0.465 0.000 1.025 71 V CA -1.102 61.044 62.300 -0.257 0.000 0.859 71 V CB 1.554 33.292 31.823 -0.141 0.000 0.988 71 V HN 0.763 nan 8.190 nan 0.000 0.431 72 D N 3.772 124.125 120.400 -0.078 0.000 2.358 72 D HA 0.094 4.733 4.640 -0.001 0.000 0.258 72 D C 0.557 176.902 176.300 0.074 0.000 1.223 72 D CA 0.381 54.442 54.000 0.102 0.000 0.886 72 D CB 0.975 41.970 40.800 0.325 0.000 1.120 72 D HN 0.682 nan 8.370 nan 0.000 0.482 73 E N 2.410 122.622 120.200 0.021 0.000 2.624 73 E HA -0.002 4.347 4.350 -0.001 0.000 0.210 73 E C 1.103 177.678 176.600 -0.041 0.000 0.997 73 E CA -0.266 56.138 56.400 0.007 0.000 0.999 73 E CB 0.627 30.302 29.700 -0.042 0.000 1.040 73 E HN 0.399 nan 8.360 nan 0.000 0.469 74 Q N -0.510 119.242 119.800 -0.079 0.000 2.135 74 Q HA -0.099 4.241 4.340 -0.001 0.000 0.204 74 Q C 0.033 175.540 176.000 -0.822 0.000 0.981 74 Q CA 1.246 56.728 55.803 -0.534 0.000 0.856 74 Q CB 0.121 28.318 28.738 -0.902 0.000 0.902 74 Q HN 0.221 nan 8.270 nan 0.000 0.425 75 F N -0.175 119.850 119.950 0.124 0.000 2.622 75 F HA 0.343 4.869 4.527 -0.001 0.000 0.338 75 F C -2.159 173.724 175.800 0.138 0.000 1.334 75 F CA -2.841 55.214 58.000 0.092 0.000 1.179 75 F CB 0.986 40.040 39.000 0.091 0.000 1.471 75 F HN -0.203 nan 8.300 nan 0.000 0.576 76 P HA 0.034 nan 4.420 nan 0.000 0.259 76 P C 1.081 178.470 177.300 0.148 0.000 1.155 76 P CA 1.741 64.916 63.100 0.125 0.000 0.759 76 P CB 0.508 32.247 31.700 0.064 0.000 0.753 77 G N 2.751 111.623 108.800 0.121 0.000 2.284 77 G HA2 -0.326 3.634 3.960 -0.001 0.000 0.261 77 G HA3 -0.326 3.634 3.960 -0.001 0.000 0.261 77 G C 0.161 175.136 174.900 0.125 0.000 0.997 77 G CA -0.219 44.937 45.100 0.092 0.000 0.621 77 G HN 0.557 nan 8.290 nan 0.000 0.534 78 F N 3.226 123.188 119.950 0.019 0.000 2.543 78 F HA 0.469 4.995 4.527 -0.001 0.000 0.375 78 F C 1.717 177.468 175.800 -0.082 0.000 1.075 78 F CA -0.042 57.917 58.000 -0.068 0.000 1.225 78 F CB 1.050 40.004 39.000 -0.078 0.000 1.099 78 F HN 0.256 nan 8.300 nan 0.000 0.561 79 S N 3.331 118.612 115.700 -0.698 0.000 2.423 79 S HA -0.058 4.412 4.470 -0.001 0.000 0.231 79 S C 2.189 176.383 174.600 -0.677 0.000 1.014 79 S CA 0.686 58.547 58.200 -0.566 0.000 0.965 79 S CB -1.080 61.847 63.200 -0.454 0.000 0.785 79 S HN 0.823 nan 8.310 nan 0.000 0.495 80 G N 1.928 109.848 108.800 -1.465 0.000 2.442 80 G HA2 -0.194 3.766 3.960 -0.001 0.000 0.219 80 G HA3 -0.194 3.766 3.960 -0.001 0.000 0.219 80 G C 1.720 176.858 174.900 0.397 0.000 1.141 80 G CA 1.328 45.899 45.100 -0.883 0.000 0.763 80 G HN 0.794 nan 8.290 nan 0.000 0.554 81 S N -0.434 115.522 115.700 0.428 0.000 2.475 81 S HA 0.163 4.632 4.470 -0.001 0.000 0.224 81 S C 1.798 176.673 174.600 0.458 0.000 1.042 81 S CA 0.728 59.447 58.200 0.866 0.000 0.935 81 S CB 0.158 64.002 63.200 1.072 0.000 0.801 81 S HN 0.393 nan 8.310 nan 0.000 0.509 82 E N 1.728 122.035 120.200 0.178 0.000 2.358 82 E HA 0.065 4.415 4.350 -0.001 0.000 0.195 82 E C 1.963 178.501 176.600 -0.103 0.000 1.010 82 E CA 0.828 57.261 56.400 0.055 0.000 0.856 82 E CB -0.320 29.387 29.700 0.013 0.000 0.795 82 E HN 0.817 nan 8.360 nan 0.000 0.504 83 M N -1.808 117.634 119.600 -0.263 0.000 2.549 83 M HA -0.047 4.433 4.480 -0.001 0.000 0.260 83 M C 0.814 176.665 176.300 -0.749 0.000 1.076 83 M CA 1.262 56.232 55.300 -0.551 0.000 1.090 83 M CB -0.229 31.934 32.600 -0.729 0.000 1.418 83 M HN 0.048 nan 8.290 nan 0.000 0.486 84 W N 0.789 122.025 121.300 -0.107 0.000 3.013 84 W HA 0.281 4.940 4.660 -0.001 0.000 0.280 84 W C 0.500 176.922 176.519 -0.161 0.000 1.249 84 W CA -0.901 56.341 57.345 -0.172 0.000 1.577 84 W CB 0.003 29.385 29.460 -0.130 0.000 1.057 84 W HN 0.102 nan 8.180 nan 0.000 0.613 85 N N 1.473 120.205 118.700 0.054 0.000 2.467 85 N HA 0.138 4.877 4.740 -0.001 0.000 0.262 85 N C -2.478 172.987 175.510 -0.076 0.000 1.234 85 N CA -1.446 51.609 53.050 0.008 0.000 0.952 85 N CB -0.169 38.331 38.487 0.021 0.000 1.158 85 N HN -0.363 nan 8.380 nan 0.000 0.463 86 P HA 0.036 nan 4.420 nan 0.000 0.262 86 P C 0.169 177.401 177.300 -0.114 0.000 1.182 86 P CA 0.103 63.132 63.100 -0.119 0.000 0.761 86 P CB 0.252 31.894 31.700 -0.096 0.000 0.795 87 N N 2.403 121.019 118.700 -0.140 0.000 2.204 87 N HA 0.075 4.815 4.740 -0.001 0.000 0.219 87 N C 0.171 175.623 175.510 -0.095 0.000 1.151 87 N CA 0.017 52.995 53.050 -0.118 0.000 0.867 87 N CB 0.366 38.769 38.487 -0.141 0.000 1.043 87 N HN 0.171 nan 8.380 nan 0.000 0.516 88 R N 0.160 120.599 120.500 -0.101 0.000 2.912 88 R HA 0.289 4.629 4.340 -0.001 0.000 0.262 88 R C -0.474 175.782 176.300 -0.074 0.000 1.057 88 R CA -0.667 55.386 56.100 -0.079 0.000 0.981 88 R CB 1.403 31.647 30.300 -0.092 0.000 1.201 88 R HN 0.269 nan 8.270 nan 0.000 0.484 89 E N 1.599 121.760 120.200 -0.065 0.000 2.392 89 E HA 0.052 4.401 4.350 -0.001 0.000 0.264 89 E C -0.429 176.127 176.600 -0.073 0.000 1.024 89 E CA 0.115 56.478 56.400 -0.062 0.000 0.903 89 E CB 0.677 30.343 29.700 -0.057 0.000 0.963 89 E HN 0.259 nan 8.360 nan 0.000 0.432 90 M N 2.177 121.734 119.600 -0.071 0.000 2.288 90 M HA 0.236 4.715 4.480 -0.001 0.000 0.334 90 M C -0.089 176.154 176.300 -0.094 0.000 1.150 90 M CA -0.101 55.147 55.300 -0.087 0.000 1.118 90 M CB 1.677 34.225 32.600 -0.086 0.000 1.501 90 M HN 0.394 nan 8.290 nan 0.000 0.462 91 S N 0.007 115.638 115.700 -0.115 0.000 2.543 91 S HA 0.208 4.678 4.470 -0.001 0.000 0.274 91 S C -0.048 174.456 174.600 -0.160 0.000 1.149 91 S CA -0.684 57.446 58.200 -0.117 0.000 0.866 91 S CB 1.462 64.618 63.200 -0.073 0.000 1.111 91 S HN 0.837 nan 8.310 nan 0.000 0.457 92 E N 0.986 121.070 120.200 -0.194 0.000 2.338 92 E HA -0.081 4.269 4.350 -0.001 0.000 0.197 92 E C -0.259 176.267 176.600 -0.123 0.000 1.007 92 E CA 0.553 56.813 56.400 -0.232 0.000 0.849 92 E CB 0.129 29.692 29.700 -0.228 0.000 0.774 92 E HN 0.521 nan 8.360 nan 0.000 0.506 93 D N 0.267 120.633 120.400 -0.057 0.000 2.483 93 D HA -0.001 4.638 4.640 -0.001 0.000 0.220 93 D C -0.034 176.348 176.300 0.138 0.000 1.173 93 D CA -0.309 53.706 54.000 0.025 0.000 0.964 93 D CB -0.015 40.822 40.800 0.060 0.000 1.046 93 D HN 0.124 nan 8.370 nan 0.000 0.517 94 c N 2.431 121.087 118.600 0.094 0.000 3.626 94 c HA 0.387 4.956 4.570 -0.001 0.000 0.276 94 c C 0.623 174.804 174.090 0.152 0.000 1.694 94 c CA -0.692 55.749 56.329 0.186 0.000 1.785 94 c CB -1.268 41.263 42.510 0.035 0.000 3.152 94 c HN 0.435 nan 8.230 nan 0.000 0.571 95 L N 2.620 123.690 121.223 -0.254 0.000 2.387 95 L HA 0.409 4.749 4.340 -0.001 0.000 0.267 95 L C -0.864 175.212 176.870 -1.323 0.000 1.197 95 L CA 0.479 54.893 54.840 -0.710 0.000 1.070 95 L CB -0.626 40.903 42.059 -0.883 0.000 1.349 95 L HN 0.380 nan 8.230 nan 0.000 0.422 96 Y N 1.854 121.977 120.300 -0.295 0.000 2.602 96 Y HA 0.678 5.228 4.550 -0.001 0.000 0.342 96 Y C -0.067 175.995 175.900 0.271 0.000 1.029 96 Y CA -1.324 56.712 58.100 -0.105 0.000 1.080 96 Y CB 1.869 40.274 38.460 -0.092 0.000 1.284 96 Y HN 0.195 nan 8.280 nan 0.000 0.485 97 L N -0.123 121.284 121.223 0.307 0.000 2.350 97 L HA 0.768 5.108 4.340 -0.001 0.000 0.260 97 L C -1.323 175.599 176.870 0.086 0.000 1.015 97 L CA -1.070 53.887 54.840 0.194 0.000 0.821 97 L CB 1.962 44.048 42.059 0.046 0.000 1.370 97 L HN 0.474 nan 8.230 nan 0.000 0.416 98 N N 2.100 120.857 118.700 0.095 0.000 2.269 98 N HA 0.720 5.459 4.740 -0.001 0.000 0.304 98 N C -1.288 174.159 175.510 -0.105 0.000 1.072 98 N CA -0.269 52.744 53.050 -0.061 0.000 0.802 98 N CB 2.754 41.196 38.487 -0.076 0.000 1.348 98 N HN 0.655 nan 8.380 nan 0.000 0.484 99 I N 0.373 120.794 120.570 -0.249 0.000 2.499 99 I HA 0.383 4.553 4.170 -0.001 0.000 0.288 99 I C -0.766 175.304 176.117 -0.078 0.000 1.048 99 I CA -0.716 60.537 61.300 -0.079 0.000 1.062 99 I CB 2.225 40.098 38.000 -0.211 0.000 1.238 99 I HN 0.249 nan 8.210 nan 0.000 0.426 100 W N 5.772 127.195 121.300 0.205 0.000 2.429 100 W HA 0.582 5.242 4.660 -0.001 0.000 0.314 100 W C -1.006 175.649 176.519 0.227 0.000 1.062 100 W CA -0.674 56.793 57.345 0.203 0.000 1.211 100 W CB 2.198 31.750 29.460 0.154 0.000 1.305 100 W HN 0.096 nan 8.180 nan 0.000 0.476 101 V N 5.137 125.323 119.914 0.453 0.000 2.444 101 V HA 0.256 4.376 4.120 -0.001 0.000 0.294 101 V C -1.987 174.306 176.094 0.332 0.000 1.022 101 V CA -2.351 60.184 62.300 0.392 0.000 0.850 101 V CB 1.875 33.987 31.823 0.483 0.000 0.992 101 V HN 0.262 nan 8.190 nan 0.000 0.426 102 P HA 0.048 nan 4.420 nan 0.000 0.267 102 P C -0.481 176.953 177.300 0.224 0.000 1.201 102 P CA 0.383 63.625 63.100 0.236 0.000 0.775 102 P CB 0.480 32.282 31.700 0.170 0.000 0.854 103 S N 1.578 117.408 115.700 0.217 0.000 2.561 103 S HA 0.554 5.023 4.470 -0.001 0.000 0.303 103 S C -2.459 172.235 174.600 0.156 0.000 1.110 103 S CA -1.549 56.761 58.200 0.183 0.000 1.034 103 S CB 0.170 63.480 63.200 0.183 0.000 1.010 103 S HN 0.252 nan 8.310 nan 0.000 0.482 104 P HA 0.205 nan 4.420 nan 0.000 0.272 104 P C -0.533 176.842 177.300 0.126 0.000 1.230 104 P CA -0.608 62.561 63.100 0.115 0.000 0.788 104 P CB 0.419 32.172 31.700 0.087 0.000 0.949 105 R N 2.105 122.687 120.500 0.135 0.000 2.486 105 R HA 0.066 4.405 4.340 -0.001 0.000 0.303 105 R C -1.853 174.514 176.300 0.111 0.000 0.958 105 R CA -0.784 55.403 56.100 0.146 0.000 1.077 105 R CB -0.540 29.846 30.300 0.143 0.000 0.921 105 R HN 0.379 nan 8.270 nan 0.000 0.406 106 P HA 0.032 nan 4.420 nan 0.000 0.271 106 P C -0.156 177.181 177.300 0.062 0.000 1.244 106 P CA -0.326 62.823 63.100 0.082 0.000 0.793 106 P CB 0.701 32.454 31.700 0.088 0.000 0.984 107 K N -0.486 119.937 120.400 0.039 0.000 2.190 107 K HA 0.144 4.463 4.320 -0.001 0.000 0.202 107 K C 0.587 177.188 176.600 0.001 0.000 1.045 107 K CA 0.992 57.291 56.287 0.019 0.000 0.976 107 K CB -0.227 32.280 32.500 0.011 0.000 0.849 107 K HN 0.339 nan 8.250 nan 0.000 0.468 108 S N 1.005 116.707 115.700 0.004 0.000 2.592 108 S HA 0.161 4.630 4.470 -0.001 0.000 0.151 108 S C -0.957 173.644 174.600 0.001 0.000 1.280 108 S CA -0.369 57.823 58.200 -0.012 0.000 1.187 108 S CB 0.300 63.482 63.200 -0.031 0.000 1.471 108 S HN 0.146 nan 8.310 nan 0.000 0.409 109 T N 1.681 116.247 114.554 0.020 0.000 2.937 109 T HA 0.576 4.926 4.350 -0.001 0.000 0.283 109 T C 0.129 174.843 174.700 0.024 0.000 1.012 109 T CA -0.067 62.048 62.100 0.024 0.000 0.997 109 T CB 1.180 70.074 68.868 0.043 0.000 1.136 109 T HN 0.433 nan 8.240 nan 0.000 0.551 110 T N 2.214 116.779 114.554 0.018 0.000 2.908 110 T HA 0.312 4.661 4.350 -0.001 0.000 0.301 110 T C -0.285 174.441 174.700 0.043 0.000 1.019 110 T CA -0.165 61.944 62.100 0.014 0.000 1.152 110 T CB 0.133 68.998 68.868 -0.005 0.000 0.966 110 T HN 0.403 nan 8.240 nan 0.000 0.540 111 V N 5.328 125.273 119.914 0.052 0.000 2.513 111 V HA 0.521 4.641 4.120 -0.001 0.000 0.299 111 V C 0.017 176.173 176.094 0.103 0.000 1.035 111 V CA -0.765 61.590 62.300 0.092 0.000 0.889 111 V CB 1.633 33.515 31.823 0.098 0.000 0.988 111 V HN 0.837 nan 8.190 nan 0.000 0.440 112 M N 4.483 124.173 119.600 0.150 0.000 2.259 112 M HA 0.577 5.057 4.480 -0.001 0.000 0.304 112 M C -1.375 175.178 176.300 0.422 0.000 1.019 112 M CA -0.640 54.773 55.300 0.189 0.000 0.922 112 M CB 2.319 34.899 32.600 -0.033 0.000 1.600 112 M HN 0.360 nan 8.290 nan 0.000 0.433 113 V N 2.844 123.058 119.914 0.499 0.000 2.378 113 V HA 0.342 4.462 4.120 -0.001 0.000 0.288 113 V C -0.813 175.590 176.094 0.516 0.000 1.016 113 V CA -0.651 61.916 62.300 0.445 0.000 0.840 113 V CB 1.545 33.499 31.823 0.219 0.000 0.994 113 V HN 0.883 nan 8.190 nan 0.000 0.431 114 W N 6.905 128.302 121.300 0.161 0.000 2.316 114 W HA 0.636 5.295 4.660 -0.001 0.000 0.311 114 W C -1.304 175.103 176.519 -0.186 0.000 1.217 114 W CA -0.681 56.487 57.345 -0.295 0.000 1.199 114 W CB 1.129 30.452 29.460 -0.229 0.000 1.202 114 W HN 0.448 nan 8.180 nan 0.000 0.528 115 I N 9.092 129.091 120.570 -0.951 0.000 2.411 115 I HA 0.068 4.238 4.170 -0.001 0.000 0.284 115 I C -0.303 175.042 176.117 -1.287 0.000 1.012 115 I CA -1.145 59.647 61.300 -0.847 0.000 1.119 115 I CB 0.769 38.440 38.000 -0.549 0.000 1.261 115 I HN 0.299 nan 8.210 nan 0.000 0.448 116 Y N 4.629 124.442 120.300 -0.812 0.000 2.457 116 Y HA 0.655 5.205 4.550 -0.001 0.000 0.341 116 Y C 0.722 176.441 175.900 -0.300 0.000 1.240 116 Y CA -0.856 56.876 58.100 -0.613 0.000 1.437 116 Y CB -0.060 38.307 38.460 -0.155 0.000 1.328 116 Y HN 0.532 nan 8.280 nan 0.000 0.588 117 G N -0.562 108.229 108.800 -0.014 0.000 2.583 117 G HA2 0.492 4.452 3.960 -0.001 0.000 0.280 117 G HA3 0.492 4.452 3.960 -0.001 0.000 0.280 117 G C 0.289 175.127 174.900 -0.102 0.000 1.376 117 G CA -0.909 44.118 45.100 -0.121 0.000 1.043 117 G HN 1.737 nan 8.290 nan 0.000 0.538 118 G N -2.865 105.715 108.800 -0.367 0.000 2.207 118 G HA2 0.405 4.365 3.960 -0.001 0.000 0.193 118 G HA3 0.405 4.365 3.960 -0.001 0.000 0.193 118 G C 1.035 175.378 174.900 -0.928 0.000 1.050 118 G CA 0.702 45.450 45.100 -0.586 0.000 0.780 118 G HN 2.308 nan 8.290 nan 0.000 0.504 119 G N -0.431 107.835 108.800 -0.890 0.000 2.233 119 G HA2 -0.137 3.822 3.960 -0.001 0.000 0.270 119 G HA3 -0.137 3.822 3.960 -0.001 0.000 0.270 119 G C 0.936 175.598 174.900 -0.396 0.000 1.011 119 G CA 0.836 45.238 45.100 -1.163 0.000 0.762 119 G HN 1.755 nan 8.290 nan 0.000 0.511 120 F N -3.484 116.365 119.950 -0.169 0.000 2.871 120 F HA -0.318 4.209 4.527 -0.001 0.000 0.326 120 F C 1.468 177.356 175.800 0.146 0.000 0.675 120 F CA 2.156 60.155 58.000 -0.002 0.000 1.188 120 F CB -2.078 36.757 39.000 -0.275 0.000 1.567 120 F HN 0.899 nan 8.300 nan 0.000 0.325 121 Y N -0.940 119.433 120.300 0.122 0.000 2.500 121 Y HA 0.662 5.211 4.550 -0.001 0.000 0.246 121 Y C 0.593 176.596 175.900 0.173 0.000 1.146 121 Y CA 0.235 58.439 58.100 0.173 0.000 1.230 121 Y CB 0.039 38.539 38.460 0.067 0.000 1.214 121 Y HN 0.104 nan 8.280 nan 0.000 0.526 122 S N -0.835 114.624 115.700 -0.403 0.000 2.672 122 S HA 0.874 5.343 4.470 -0.001 0.000 0.271 122 S C -0.285 174.126 174.600 -0.315 0.000 1.171 122 S CA -0.489 57.525 58.200 -0.311 0.000 0.817 122 S CB 1.418 64.356 63.200 -0.437 0.000 1.150 122 S HN 1.318 nan 8.310 nan 0.000 0.478 123 G N -0.274 108.306 108.800 -0.367 0.000 2.402 123 G HA2 0.435 4.394 3.960 -0.001 0.000 0.666 123 G HA3 0.435 4.394 3.960 -0.001 0.000 0.666 123 G C -1.074 173.128 174.900 -1.164 0.000 1.402 123 G CA -0.312 44.381 45.100 -0.679 0.000 0.920 123 G HN 1.417 nan 8.290 nan 0.000 0.651 124 S N -0.869 114.149 115.700 -1.136 0.000 2.541 124 S HA 0.685 5.154 4.470 -0.001 0.000 0.271 124 S C 0.889 175.331 174.600 -0.263 0.000 1.133 124 S CA 0.062 57.846 58.200 -0.694 0.000 0.876 124 S CB 1.820 64.821 63.200 -0.331 0.000 1.105 124 S HN 1.939 nan 8.310 nan 0.000 0.470 125 S N -0.189 115.549 115.700 0.064 0.000 2.558 125 S HA -0.036 4.434 4.470 -0.001 0.000 0.217 125 S C 1.323 176.026 174.600 0.172 0.000 0.975 125 S CA 0.749 59.173 58.200 0.374 0.000 0.912 125 S CB -0.579 62.877 63.200 0.427 0.000 0.776 125 S HN 0.843 nan 8.310 nan 0.000 0.526 126 T N -0.092 114.357 114.554 -0.175 0.000 3.069 126 T HA 0.402 4.752 4.350 -0.001 0.000 0.252 126 T C 0.495 174.913 174.700 -0.469 0.000 1.053 126 T CA -0.544 61.139 62.100 -0.694 0.000 0.964 126 T CB -0.551 67.733 68.868 -0.973 0.000 1.005 126 T HN 0.312 nan 8.240 nan 0.000 0.532 127 L N 2.324 123.369 121.223 -0.296 0.000 2.514 127 L HA 0.115 4.455 4.340 -0.001 0.000 0.280 127 L C 1.265 177.917 176.870 -0.363 0.000 1.223 127 L CA -0.409 54.179 54.840 -0.419 0.000 0.864 127 L CB 0.352 41.954 42.059 -0.761 0.000 1.118 127 L HN 0.109 nan 8.230 nan 0.000 0.494 128 D N 1.490 121.698 120.400 -0.320 0.000 2.149 128 D HA -0.144 4.496 4.640 -0.001 0.000 0.198 128 D C 1.966 178.084 176.300 -0.303 0.000 0.990 128 D CA 1.302 55.171 54.000 -0.218 0.000 0.839 128 D CB -0.049 40.643 40.800 -0.180 0.000 0.948 128 D HN 0.530 nan 8.370 nan 0.000 0.460 129 V N -1.063 118.535 119.914 -0.527 0.000 3.078 129 V HA -0.162 3.957 4.120 -0.001 0.000 0.265 129 V C 1.189 176.894 176.094 -0.648 0.000 1.122 129 V CA 1.027 62.999 62.300 -0.546 0.000 1.141 129 V CB -1.131 30.276 31.823 -0.694 0.000 0.735 129 V HN 0.076 nan 8.190 nan 0.000 0.498 130 Y N -0.103 119.781 120.300 -0.694 0.000 2.555 130 Y HA 0.424 4.974 4.550 -0.001 0.000 0.259 130 Y C 1.110 176.562 175.900 -0.746 0.000 1.179 130 Y CA -1.801 55.577 58.100 -1.203 0.000 1.230 130 Y CB -0.897 37.144 38.460 -0.698 0.000 1.146 130 Y HN 0.251 nan 8.280 nan 0.000 0.526 131 N N 1.513 120.045 118.700 -0.280 0.000 2.417 131 N HA -0.041 4.699 4.740 -0.001 0.000 0.272 131 N C 1.350 176.501 175.510 -0.598 0.000 1.304 131 N CA 0.703 53.571 53.050 -0.304 0.000 0.906 131 N CB 1.124 39.519 38.487 -0.153 0.000 1.135 131 N HN 0.485 nan 8.380 nan 0.000 0.483 132 G N 3.502 111.323 108.800 -1.631 0.000 2.744 132 G HA2 -0.201 3.759 3.960 -0.001 0.000 0.211 132 G HA3 -0.201 3.759 3.960 -0.001 0.000 0.211 132 G C 1.446 175.714 174.900 -1.053 0.000 1.143 132 G CA 0.438 44.794 45.100 -1.239 0.000 0.788 132 G HN 0.756 nan 8.290 nan 0.000 0.534 133 K N -0.263 119.331 120.400 -1.344 0.000 2.097 133 K HA -0.164 4.156 4.320 -0.001 0.000 0.206 133 K C 1.795 178.170 176.600 -0.375 0.000 1.049 133 K CA 1.170 57.044 56.287 -0.688 0.000 0.933 133 K CB -0.546 31.623 32.500 -0.552 0.000 0.717 133 K HN 0.310 nan 8.250 nan 0.000 0.442 134 Y N 1.148 121.372 120.300 -0.126 0.000 2.200 134 Y HA -0.138 4.412 4.550 -0.001 0.000 0.290 134 Y C 2.361 178.264 175.900 0.005 0.000 1.137 134 Y CA 0.718 58.806 58.100 -0.021 0.000 1.163 134 Y CB -0.656 37.768 38.460 -0.060 0.000 0.988 134 Y HN 0.038 nan 8.280 nan 0.000 0.518 135 L N 0.099 121.354 121.223 0.054 0.000 2.056 135 L HA -0.042 4.298 4.340 -0.001 0.000 0.207 135 L C 2.375 179.263 176.870 0.031 0.000 1.078 135 L CA 1.792 56.624 54.840 -0.014 0.000 0.749 135 L CB -1.281 40.688 42.059 -0.151 0.000 0.901 135 L HN 0.151 nan 8.230 nan 0.000 0.433 136 A N -1.224 121.630 122.820 0.055 0.000 1.865 136 A HA -0.318 4.001 4.320 -0.001 0.000 0.217 136 A C 2.334 180.005 177.584 0.146 0.000 1.191 136 A CA 2.061 54.178 52.037 0.132 0.000 0.623 136 A CB -1.285 17.851 19.000 0.228 0.000 0.826 136 A HN 0.600 nan 8.150 nan 0.000 0.444 137 Y N 1.159 121.486 120.300 0.044 0.000 2.114 137 Y HA -0.176 4.373 4.550 -0.001 0.000 0.284 137 Y C 2.646 178.574 175.900 0.047 0.000 1.143 137 Y CA 2.445 60.575 58.100 0.051 0.000 1.135 137 Y CB -0.764 37.715 38.460 0.030 0.000 0.980 137 Y HN 0.296 nan 8.280 nan 0.000 0.499 138 T N 0.326 114.852 114.554 -0.046 0.000 2.821 138 T HA -0.108 4.241 4.350 -0.001 0.000 0.267 138 T C 1.272 175.897 174.700 -0.125 0.000 1.046 138 T CA 1.646 63.655 62.100 -0.152 0.000 1.139 138 T CB -0.091 68.788 68.868 0.019 0.000 0.871 138 T HN 0.350 nan 8.240 nan 0.000 0.454 139 E N 0.328 120.503 120.200 -0.041 0.000 2.498 139 E HA 0.158 4.507 4.350 -0.001 0.000 0.203 139 E C 0.060 176.661 176.600 0.001 0.000 1.013 139 E CA -0.008 56.395 56.400 0.005 0.000 0.927 139 E CB 0.324 30.049 29.700 0.041 0.000 1.012 139 E HN 0.499 nan 8.360 nan 0.000 0.482 140 E N 0.217 120.405 120.200 -0.020 0.000 2.340 140 E HA -0.165 4.185 4.350 -0.001 0.000 0.240 140 E C -0.613 176.016 176.600 0.048 0.000 1.154 140 E CA 0.457 56.864 56.400 0.011 0.000 0.717 140 E CB -1.255 28.443 29.700 -0.004 0.000 1.250 140 E HN 0.160 nan 8.360 nan 0.000 0.386 141 V N -3.375 116.581 119.914 0.070 0.000 2.960 141 V HA 0.743 4.863 4.120 -0.001 0.000 0.315 141 V C 0.366 176.543 176.094 0.139 0.000 1.087 141 V CA -1.032 61.317 62.300 0.083 0.000 0.982 141 V CB 2.270 34.126 31.823 0.055 0.000 1.039 141 V HN -0.067 nan 8.190 nan 0.000 0.437 142 V N 3.647 123.651 119.914 0.149 0.000 2.389 142 V HA 0.362 4.482 4.120 -0.001 0.000 0.264 142 V C -0.033 176.199 176.094 0.230 0.000 1.049 142 V CA -0.025 62.396 62.300 0.202 0.000 0.932 142 V CB 0.839 32.768 31.823 0.176 0.000 1.011 142 V HN 0.773 nan 8.190 nan 0.000 0.475 143 L N 7.182 128.597 121.223 0.319 0.000 2.282 143 L HA 0.630 4.969 4.340 -0.001 0.000 0.288 143 L C -0.455 176.719 176.870 0.507 0.000 1.033 143 L CA 0.139 55.215 54.840 0.394 0.000 0.807 143 L CB 1.471 43.754 42.059 0.373 0.000 1.209 143 L HN 0.426 nan 8.230 nan 0.000 0.423 144 V N 3.503 123.688 119.914 0.451 0.000 2.555 144 V HA 0.622 4.741 4.120 -0.001 0.000 0.302 144 V C -0.335 176.046 176.094 0.478 0.000 1.038 144 V CA -0.521 62.020 62.300 0.401 0.000 0.887 144 V CB 1.916 33.889 31.823 0.250 0.000 0.991 144 V HN 0.854 nan 8.190 nan 0.000 0.434 145 S N 4.945 120.937 115.700 0.486 0.000 2.519 145 S HA 0.841 5.311 4.470 -0.001 0.000 0.309 145 S C -0.721 174.068 174.600 0.314 0.000 1.100 145 S CA -0.794 57.694 58.200 0.481 0.000 1.059 145 S CB 1.592 65.170 63.200 0.630 0.000 1.008 145 S HN 0.635 nan 8.310 nan 0.000 0.478 146 L N 0.787 122.129 121.223 0.199 0.000 2.492 146 L HA 0.988 5.328 4.340 -0.001 0.000 0.263 146 L C 0.187 177.199 176.870 0.237 0.000 1.062 146 L CA -0.719 54.200 54.840 0.133 0.000 0.817 146 L CB 0.047 42.056 42.059 -0.082 0.000 1.441 146 L HN 0.867 nan 8.230 nan 0.000 0.493 147 S N -1.772 114.129 115.700 0.334 0.000 2.661 147 S HA 0.899 5.368 4.470 -0.001 0.000 0.285 147 S C -1.293 173.550 174.600 0.404 0.000 1.138 147 S CA -0.540 57.880 58.200 0.367 0.000 0.855 147 S CB 1.575 65.030 63.200 0.424 0.000 1.136 147 S HN 1.166 nan 8.310 nan 0.000 0.484 148 Y N -1.859 118.558 120.300 0.195 0.000 2.604 148 Y HA 0.673 5.223 4.550 -0.001 0.000 0.331 148 Y C -0.804 175.230 175.900 0.224 0.000 1.158 148 Y CA -1.399 56.808 58.100 0.178 0.000 1.056 148 Y CB 0.647 39.164 38.460 0.094 0.000 1.330 148 Y HN 0.772 nan 8.280 nan 0.000 0.457 149 R N 1.816 122.456 120.500 0.233 0.000 2.623 149 R HA 0.523 4.863 4.340 -0.001 0.000 0.271 149 R C -0.139 176.349 176.300 0.314 0.000 1.043 149 R CA -0.065 56.130 56.100 0.157 0.000 1.083 149 R CB 0.852 31.208 30.300 0.094 0.000 0.974 149 R HN 0.699 nan 8.270 nan 0.000 0.436 150 V N -0.453 119.660 119.914 0.332 0.000 3.181 150 V HA 0.889 5.008 4.120 -0.001 0.000 0.314 150 V C 0.717 177.156 176.094 0.575 0.000 1.173 150 V CA -0.158 62.470 62.300 0.546 0.000 1.052 150 V CB 1.119 33.136 31.823 0.324 0.000 1.123 150 V HN 0.975 nan 8.190 nan 0.000 0.454 151 G N 0.300 109.470 108.800 0.617 0.000 2.575 151 G HA2 0.023 3.982 3.960 -0.001 0.000 0.267 151 G HA3 0.023 3.982 3.960 -0.001 0.000 0.267 151 G C 1.009 176.084 174.900 0.291 0.000 1.264 151 G CA 1.061 46.465 45.100 0.507 0.000 0.935 151 G HN 2.221 nan 8.290 nan 0.000 0.568 152 A N -1.286 121.379 122.820 -0.259 0.000 1.933 152 A HA 0.224 4.543 4.320 -0.001 0.000 0.218 152 A C 2.247 179.688 177.584 -0.239 0.000 1.175 152 A CA 2.522 54.044 52.037 -0.857 0.000 0.628 152 A CB -0.535 17.758 19.000 -1.179 0.000 0.814 152 A HN 0.995 nan 8.150 nan 0.000 0.444 153 F N 0.158 120.140 119.950 0.054 0.000 2.202 153 F HA -0.072 4.454 4.527 -0.001 0.000 0.301 153 F C 2.425 178.218 175.800 -0.013 0.000 1.082 153 F CA 1.140 59.139 58.000 -0.002 0.000 1.313 153 F CB -0.628 38.331 39.000 -0.069 0.000 1.024 153 F HN 0.294 nan 8.300 nan 0.000 0.495 154 G N -2.299 106.592 108.800 0.153 0.000 2.762 154 G HA2 0.067 4.026 3.960 -0.001 0.000 0.209 154 G HA3 0.067 4.026 3.960 -0.001 0.000 0.209 154 G C 0.775 175.158 174.900 -0.862 0.000 1.134 154 G CA 0.102 45.028 45.100 -0.290 0.000 0.781 154 G HN 0.346 nan 8.290 nan 0.000 0.528 155 F N -0.492 119.551 119.950 0.154 0.000 2.899 155 F HA 0.429 4.956 4.527 -0.001 0.000 0.337 155 F C 0.295 176.166 175.800 0.119 0.000 1.129 155 F CA -0.995 57.080 58.000 0.125 0.000 1.128 155 F CB 0.443 39.538 39.000 0.158 0.000 1.154 155 F HN -0.106 nan 8.300 nan 0.000 0.531 156 L N 2.350 123.588 121.223 0.025 0.000 2.584 156 L HA 0.405 4.744 4.340 -0.001 0.000 0.272 156 L C 0.197 177.054 176.870 -0.023 0.000 1.195 156 L CA 0.267 55.030 54.840 -0.128 0.000 0.920 156 L CB 0.162 41.863 42.059 -0.597 0.000 1.173 156 L HN 0.171 nan 8.230 nan 0.000 0.489 157 A N 7.003 129.864 122.820 0.068 0.000 2.311 157 A HA 0.654 4.974 4.320 -0.001 0.000 0.306 157 A C -0.827 176.777 177.584 0.035 0.000 1.189 157 A CA -0.493 51.577 52.037 0.055 0.000 0.791 157 A CB 0.626 19.684 19.000 0.098 0.000 1.172 157 A HN 0.699 nan 8.150 nan 0.000 0.481 158 L N 3.637 124.871 121.223 0.017 0.000 2.445 158 L HA 0.238 4.578 4.340 -0.001 0.000 0.252 158 L C -0.045 176.866 176.870 0.067 0.000 1.105 158 L CA -0.801 54.052 54.840 0.021 0.000 0.943 158 L CB 0.474 42.512 42.059 -0.036 0.000 1.277 158 L HN 0.892 nan 8.230 nan 0.000 0.465 159 H N 1.847 120.917 119.070 0.001 0.000 3.115 159 H HA 0.187 4.743 4.556 -0.001 0.000 0.324 159 H C 1.216 176.549 175.328 0.009 0.000 1.007 159 H CA 1.591 57.646 56.048 0.012 0.000 1.385 159 H CB 0.824 30.596 29.762 0.018 0.000 1.351 159 H HN 0.711 nan 8.280 nan 0.000 0.592 160 G N 2.663 111.176 108.800 -0.479 0.000 2.284 160 G HA2 -0.287 3.673 3.960 -0.001 0.000 0.230 160 G HA3 -0.287 3.673 3.960 -0.001 0.000 0.230 160 G C 0.495 175.309 174.900 -0.143 0.000 1.021 160 G CA 0.365 45.266 45.100 -0.331 0.000 0.619 160 G HN 0.951 nan 8.290 nan 0.000 0.510 161 S N 0.190 115.841 115.700 -0.081 0.000 2.562 161 S HA 0.585 5.054 4.470 -0.001 0.000 0.275 161 S C 1.111 175.699 174.600 -0.020 0.000 1.281 161 S CA 0.187 58.364 58.200 -0.037 0.000 1.045 161 S CB 1.476 64.663 63.200 -0.022 0.000 0.962 161 S HN 0.213 nan 8.310 nan 0.000 0.503 162 Q N 1.858 121.655 119.800 -0.005 0.000 2.384 162 Q HA 0.162 4.501 4.340 -0.001 0.000 0.207 162 Q C 1.236 177.255 176.000 0.030 0.000 0.904 162 Q CA 0.416 56.226 55.803 0.011 0.000 0.933 162 Q CB 0.137 28.880 28.738 0.009 0.000 1.077 162 Q HN 0.721 nan 8.270 nan 0.000 0.522 163 E N 0.478 120.698 120.200 0.034 0.000 2.112 163 E HA 0.045 4.394 4.350 -0.001 0.000 0.190 163 E C 0.169 176.823 176.600 0.089 0.000 0.979 163 E CA 0.625 57.063 56.400 0.062 0.000 0.814 163 E CB 0.405 30.144 29.700 0.065 0.000 0.762 163 E HN 0.112 nan 8.360 nan 0.000 0.460 164 A N 1.689 124.534 122.820 0.041 0.000 3.266 164 A HA 0.302 4.621 4.320 -0.001 0.000 0.310 164 A C -2.071 175.518 177.584 0.008 0.000 1.066 164 A CA -0.964 51.084 52.037 0.018 0.000 0.839 164 A CB 0.753 19.656 19.000 -0.162 0.000 1.192 164 A HN -0.108 nan 8.150 nan 0.000 0.496 165 P HA 0.164 nan 4.420 nan 0.000 0.225 165 P C 0.869 178.219 177.300 0.084 0.000 1.156 165 P CA 1.704 64.842 63.100 0.063 0.000 0.787 165 P CB 0.287 32.026 31.700 0.065 0.000 0.802 166 G N 0.434 109.263 108.800 0.049 0.000 2.612 166 G HA2 -0.142 3.817 3.960 -0.001 0.000 0.686 166 G HA3 -0.142 3.817 3.960 -0.001 0.000 0.686 166 G C -0.162 174.741 174.900 0.006 0.000 1.274 166 G CA -0.285 44.847 45.100 0.053 0.000 0.849 166 G HN 0.082 nan 8.290 nan 0.000 0.595 167 N N -2.419 116.278 118.700 -0.006 0.000 2.815 167 N HA -0.289 4.450 4.740 -0.001 0.000 0.247 167 N C 1.994 177.361 175.510 -0.239 0.000 1.030 167 N CA 2.607 55.587 53.050 -0.116 0.000 0.881 167 N CB -1.633 36.742 38.487 -0.188 0.000 1.134 167 N HN 1.941 nan 8.380 nan 0.000 0.582 168 V N -2.591 117.172 119.914 -0.251 0.000 2.594 168 V HA -0.025 4.094 4.120 -0.001 0.000 0.253 168 V C 2.282 178.250 176.094 -0.209 0.000 1.069 168 V CA 2.365 64.566 62.300 -0.165 0.000 1.082 168 V CB -0.945 30.833 31.823 -0.075 0.000 0.680 168 V HN 0.288 nan 8.190 nan 0.000 0.469 169 G N 0.299 108.770 108.800 -0.549 0.000 2.408 169 G HA2 -0.132 3.827 3.960 -0.001 0.000 0.217 169 G HA3 -0.132 3.827 3.960 -0.001 0.000 0.217 169 G C 1.548 176.449 174.900 0.002 0.000 1.150 169 G CA 1.105 46.032 45.100 -0.289 0.000 0.776 169 G HN 0.537 nan 8.290 nan 0.000 0.542 170 L N -0.145 121.030 121.223 -0.079 0.000 2.093 170 L HA 0.079 4.419 4.340 -0.001 0.000 0.208 170 L C 2.828 179.755 176.870 0.095 0.000 1.085 170 L CA 0.404 55.184 54.840 -0.100 0.000 0.755 170 L CB -0.256 41.427 42.059 -0.627 0.000 0.904 170 L HN 0.179 nan 8.230 nan 0.000 0.435 171 L N -0.616 120.652 121.223 0.075 0.000 2.141 171 L HA -0.201 4.139 4.340 -0.001 0.000 0.209 171 L C 2.156 179.123 176.870 0.161 0.000 1.094 171 L CA 0.832 55.775 54.840 0.171 0.000 0.763 171 L CB -0.626 41.507 42.059 0.124 0.000 0.908 171 L HN 0.287 nan 8.230 nan 0.000 0.437 172 D N 0.047 120.540 120.400 0.155 0.000 2.123 172 D HA -0.211 4.428 4.640 -0.001 0.000 0.196 172 D C 2.267 178.676 176.300 0.182 0.000 0.992 172 D CA 1.225 55.384 54.000 0.265 0.000 0.833 172 D CB -0.173 40.821 40.800 0.322 0.000 0.954 172 D HN 0.419 nan 8.370 nan 0.000 0.455 173 Q N 0.020 119.885 119.800 0.108 0.000 2.119 173 Q HA -0.087 4.253 4.340 -0.001 0.000 0.201 173 Q C 2.264 178.201 176.000 -0.104 0.000 0.972 173 Q CA 0.786 56.570 55.803 -0.031 0.000 0.847 173 Q CB 0.004 28.735 28.738 -0.011 0.000 0.903 173 Q HN 0.198 nan 8.270 nan 0.000 0.433 174 R N 0.660 121.187 120.500 0.045 0.000 2.075 174 R HA -0.118 4.221 4.340 -0.001 0.000 0.232 174 R C 2.203 178.490 176.300 -0.021 0.000 1.126 174 R CA 1.316 57.417 56.100 0.002 0.000 0.963 174 R CB -0.133 30.266 30.300 0.166 0.000 0.858 174 R HN 0.253 nan 8.270 nan 0.000 0.435 175 M N 0.140 119.758 119.600 0.031 0.000 2.108 175 M HA -0.146 4.334 4.480 -0.001 0.000 0.261 175 M C 2.112 178.363 176.300 -0.082 0.000 1.066 175 M CA 2.099 57.443 55.300 0.072 0.000 1.107 175 M CB -0.063 32.682 32.600 0.241 0.000 1.356 175 M HN 0.302 nan 8.290 nan 0.000 0.406 176 A N 0.219 122.740 122.820 -0.498 0.000 1.902 176 A HA -0.123 4.197 4.320 -0.001 0.000 0.217 176 A C 2.007 179.474 177.584 -0.195 0.000 1.181 176 A CA 1.479 53.061 52.037 -0.757 0.000 0.623 176 A CB -1.033 17.265 19.000 -1.169 0.000 0.818 176 A HN 0.583 nan 8.150 nan 0.000 0.443 177 L N -1.053 120.077 121.223 -0.155 0.000 2.083 177 L HA -0.232 4.108 4.340 -0.001 0.000 0.209 177 L C 2.835 179.743 176.870 0.063 0.000 1.083 177 L CA 1.668 56.483 54.840 -0.041 0.000 0.752 177 L CB -0.512 41.485 42.059 -0.103 0.000 0.899 177 L HN 0.462 nan 8.230 nan 0.000 0.433 178 Q N -0.273 119.561 119.800 0.056 0.000 2.084 178 Q HA -0.255 4.085 4.340 -0.001 0.000 0.202 178 Q C 1.986 178.089 176.000 0.171 0.000 0.978 178 Q CA 1.957 57.817 55.803 0.095 0.000 0.844 178 Q CB -0.482 28.304 28.738 0.080 0.000 0.898 178 Q HN 0.474 nan 8.270 nan 0.000 0.426 179 W N -0.703 120.614 121.300 0.029 0.000 2.355 179 W HA -0.172 4.488 4.660 -0.001 0.000 0.309 179 W C 1.919 178.485 176.519 0.077 0.000 1.206 179 W CA 1.749 59.134 57.345 0.068 0.000 1.284 179 W CB -0.288 29.208 29.460 0.060 0.000 1.145 179 W HN 0.007 nan 8.180 nan 0.000 0.502 180 V N 0.104 120.217 119.914 0.331 0.000 2.287 180 V HA -0.399 3.721 4.120 -0.001 0.000 0.248 180 V C 2.558 178.682 176.094 0.049 0.000 1.053 180 V CA 2.384 64.805 62.300 0.203 0.000 1.027 180 V CB -1.340 30.594 31.823 0.184 0.000 0.646 180 V HN 0.366 nan 8.190 nan 0.000 0.447 181 H N 0.312 119.377 119.070 -0.008 0.000 2.319 181 H HA -0.196 4.359 4.556 -0.001 0.000 0.299 181 H C 2.000 177.262 175.328 -0.110 0.000 1.092 181 H CA 2.203 58.225 56.048 -0.043 0.000 1.302 181 H CB -0.036 29.712 29.762 -0.022 0.000 1.373 181 H HN 0.427 nan 8.280 nan 0.000 0.497 182 D N -0.230 120.124 120.400 -0.076 0.000 2.234 182 D HA -0.058 4.581 4.640 -0.001 0.000 0.205 182 D C 1.290 177.412 176.300 -0.296 0.000 0.962 182 D CA 0.667 54.558 54.000 -0.182 0.000 0.855 182 D CB -0.007 40.723 40.800 -0.116 0.000 0.951 182 D HN 0.483 nan 8.370 nan 0.000 0.500 183 N N -0.288 118.159 118.700 -0.421 0.000 2.193 183 N HA 0.030 4.769 4.740 -0.001 0.000 0.210 183 N C 1.432 176.859 175.510 -0.139 0.000 1.215 183 N CA -0.173 52.665 53.050 -0.354 0.000 0.901 183 N CB 1.012 38.916 38.487 -0.971 0.000 1.060 183 N HN 0.011 nan 8.380 nan 0.000 0.508 184 I N 3.174 123.677 120.570 -0.111 0.000 2.567 184 I HA -0.241 3.929 4.170 -0.001 0.000 0.257 184 I C 2.598 178.705 176.117 -0.017 0.000 1.184 184 I CA 1.238 62.587 61.300 0.082 0.000 1.451 184 I CB -0.196 37.834 38.000 0.050 0.000 1.089 184 I HN 0.199 nan 8.210 nan 0.000 0.441 185 Q N -0.630 118.974 119.800 -0.327 0.000 2.170 185 Q HA -0.242 4.097 4.340 -0.001 0.000 0.203 185 Q C 1.885 177.625 176.000 -0.434 0.000 0.976 185 Q CA 1.725 57.266 55.803 -0.436 0.000 0.858 185 Q CB -0.894 27.447 28.738 -0.661 0.000 0.907 185 Q HN 0.412 nan 8.270 nan 0.000 0.433 186 F N -0.156 119.731 119.950 -0.104 0.000 2.604 186 F HA 0.077 4.604 4.527 -0.001 0.000 0.298 186 F C 1.008 176.583 175.800 -0.374 0.000 1.131 186 F CA 0.373 58.220 58.000 -0.255 0.000 1.457 186 F CB -0.153 38.619 39.000 -0.380 0.000 1.095 186 F HN 0.002 nan 8.300 nan 0.000 0.574 187 F N -0.661 119.286 119.950 -0.005 0.000 2.664 187 F HA 0.407 4.933 4.527 -0.001 0.000 0.303 187 F C 1.801 177.610 175.800 0.014 0.000 1.092 187 F CA 0.385 58.368 58.000 -0.028 0.000 1.305 187 F CB 0.073 39.035 39.000 -0.062 0.000 1.054 187 F HN 0.038 nan 8.300 nan 0.000 0.565 188 G N 0.147 109.011 108.800 0.107 0.000 2.175 188 G HA2 -0.190 3.769 3.960 -0.001 0.000 0.244 188 G HA3 -0.190 3.769 3.960 -0.001 0.000 0.244 188 G C 0.637 175.576 174.900 0.066 0.000 0.982 188 G CA -0.270 44.876 45.100 0.077 0.000 0.641 188 G HN 0.702 nan 8.290 nan 0.000 0.527 189 G N -0.282 108.564 108.800 0.077 0.000 2.420 189 G HA2 0.478 4.438 3.960 -0.001 0.000 0.284 189 G HA3 0.478 4.438 3.960 -0.001 0.000 0.284 189 G C -0.642 174.246 174.900 -0.019 0.000 1.177 189 G CA 0.358 45.488 45.100 0.051 0.000 0.841 189 G HN 0.264 nan 8.290 nan 0.000 0.527 190 D N 1.921 122.311 120.400 -0.017 0.000 2.380 190 D HA 0.234 4.873 4.640 -0.001 0.000 0.230 190 D C -0.969 175.299 176.300 -0.053 0.000 1.154 190 D CA -2.417 51.553 54.000 -0.049 0.000 0.859 190 D CB 1.720 42.499 40.800 -0.034 0.000 1.045 190 D HN 0.086 nan 8.370 nan 0.000 0.495 191 P HA -0.119 nan 4.420 nan 0.000 0.228 191 P C 0.519 177.790 177.300 -0.049 0.000 1.151 191 P CA 0.551 63.587 63.100 -0.107 0.000 0.770 191 P CB 0.397 31.930 31.700 -0.277 0.000 0.786 192 K N -0.599 119.770 120.400 -0.051 0.000 2.404 192 K HA 0.142 4.462 4.320 -0.001 0.000 0.194 192 K C 0.530 177.121 176.600 -0.014 0.000 1.023 192 K CA 0.493 56.765 56.287 -0.025 0.000 1.094 192 K CB -0.305 32.172 32.500 -0.039 0.000 0.841 192 K HN 0.097 nan 8.250 nan 0.000 0.523 193 T N 0.869 115.418 114.554 -0.008 0.000 3.630 193 T HA 0.163 4.513 4.350 -0.001 0.000 0.238 193 T C -0.698 174.016 174.700 0.023 0.000 1.195 193 T CA -0.401 61.694 62.100 -0.008 0.000 1.433 193 T CB 0.627 69.478 68.868 -0.029 0.000 0.940 193 T HN -0.123 nan 8.240 nan 0.000 0.641 194 V N 1.808 121.763 119.914 0.069 0.000 2.394 194 V HA 0.650 4.770 4.120 -0.001 0.000 0.282 194 V C -0.423 175.772 176.094 0.168 0.000 1.031 194 V CA 0.103 62.475 62.300 0.119 0.000 0.881 194 V CB 1.427 33.343 31.823 0.156 0.000 0.982 194 V HN 0.508 nan 8.190 nan 0.000 0.451 195 T N 8.699 123.341 114.554 0.146 0.000 2.770 195 T HA 0.517 4.866 4.350 -0.001 0.000 0.283 195 T C -0.075 174.753 174.700 0.214 0.000 0.988 195 T CA -0.164 62.040 62.100 0.173 0.000 0.957 195 T CB 0.742 69.664 68.868 0.089 0.000 0.930 195 T HN 0.787 nan 8.240 nan 0.000 0.443 196 I N 1.829 122.490 120.570 0.152 0.000 2.440 196 I HA 0.835 5.005 4.170 -0.001 0.000 0.294 196 I C -0.748 175.537 176.117 0.281 0.000 0.995 196 I CA -0.858 60.510 61.300 0.114 0.000 1.306 196 I CB 0.705 38.554 38.000 -0.252 0.000 1.407 196 I HN 0.501 nan 8.210 nan 0.000 0.501 197 F N 3.019 123.007 119.950 0.064 0.000 2.619 197 F HA 0.992 5.518 4.527 -0.001 0.000 0.308 197 F C -0.477 175.341 175.800 0.031 0.000 1.097 197 F CA -1.115 56.964 58.000 0.132 0.000 0.953 197 F CB 1.342 40.529 39.000 0.311 0.000 1.287 197 F HN 0.849 nan 8.300 nan 0.000 0.446 198 G N 1.107 109.809 108.800 -0.163 0.000 2.576 198 G HA2 0.482 4.441 3.960 -0.001 0.000 0.290 198 G HA3 0.482 4.441 3.960 -0.001 0.000 0.290 198 G C -2.550 172.135 174.900 -0.359 0.000 1.442 198 G CA -0.809 43.789 45.100 -0.836 0.000 0.792 198 G HN 0.866 nan 8.290 nan 0.000 0.491 199 E N 0.365 120.299 120.200 -0.443 0.000 2.212 199 E HA 0.621 4.970 4.350 -0.001 0.000 0.268 199 E C 0.721 177.267 176.600 -0.091 0.000 0.902 199 E CA 0.364 56.739 56.400 -0.041 0.000 0.779 199 E CB 2.045 31.872 29.700 0.211 0.000 1.172 199 E HN 0.918 nan 8.360 nan 0.000 0.409 200 S N 3.053 118.777 115.700 0.041 0.000 4.114 200 S HA -0.402 4.068 4.470 -0.001 0.000 0.618 200 S C 1.506 176.189 174.600 0.139 0.000 1.937 200 S CA 2.214 60.508 58.200 0.157 0.000 4.228 200 S CB -1.607 61.634 63.200 0.068 0.000 0.216 200 S HN 0.996 nan 8.310 nan 0.000 0.528 201 A N 0.979 123.777 122.820 -0.037 0.000 1.986 201 A HA 0.067 4.387 4.320 -0.001 0.000 0.220 201 A C 2.503 179.841 177.584 -0.410 0.000 1.171 201 A CA 2.647 54.460 52.037 -0.373 0.000 0.640 201 A CB -1.628 16.689 19.000 -1.139 0.000 0.811 201 A HN 1.655 nan 8.150 nan 0.000 0.451 202 G N -0.921 107.680 108.800 -0.332 0.000 2.403 202 G HA2 0.104 4.064 3.960 -0.001 0.000 0.216 202 G HA3 0.104 4.064 3.960 -0.001 0.000 0.216 202 G C 1.450 176.163 174.900 -0.311 0.000 1.154 202 G CA 1.129 45.986 45.100 -0.405 0.000 0.784 202 G HN 0.679 nan 8.290 nan 0.000 0.538 203 G N 0.970 109.650 108.800 -0.199 0.000 2.403 203 G HA2 0.128 4.088 3.960 -0.001 0.000 0.216 203 G HA3 0.128 4.088 3.960 -0.001 0.000 0.216 203 G C 2.012 176.813 174.900 -0.166 0.000 1.154 203 G CA 1.369 46.387 45.100 -0.137 0.000 0.784 203 G HN 0.569 nan 8.290 nan 0.000 0.538 204 A N 0.929 123.674 122.820 -0.125 0.000 1.902 204 A HA 0.012 4.331 4.320 -0.001 0.000 0.217 204 A C 2.689 180.207 177.584 -0.111 0.000 1.181 204 A CA 2.221 54.159 52.037 -0.165 0.000 0.623 204 A CB -0.689 18.230 19.000 -0.134 0.000 0.818 204 A HN 0.291 nan 8.150 nan 0.000 0.443 205 S N -0.430 115.230 115.700 -0.066 0.000 2.359 205 S HA -0.165 4.305 4.470 -0.001 0.000 0.224 205 S C 1.919 176.443 174.600 -0.125 0.000 1.035 205 S CA 1.490 59.631 58.200 -0.098 0.000 1.018 205 S CB -0.576 62.521 63.200 -0.172 0.000 0.876 205 S HN 0.347 nan 8.310 nan 0.000 0.448 206 V N 1.533 121.372 119.914 -0.125 0.000 2.282 206 V HA -0.221 3.898 4.120 -0.001 0.000 0.249 206 V C 2.594 178.621 176.094 -0.111 0.000 1.057 206 V CA 2.108 64.337 62.300 -0.118 0.000 1.032 206 V CB -1.449 30.285 31.823 -0.147 0.000 0.645 206 V HN 0.615 nan 8.190 nan 0.000 0.447 207 G N -1.301 107.381 108.800 -0.196 0.000 2.432 207 G HA2 -0.252 3.708 3.960 -0.001 0.000 0.219 207 G HA3 -0.252 3.708 3.960 -0.001 0.000 0.219 207 G C 1.597 176.482 174.900 -0.024 0.000 1.135 207 G CA 0.937 45.892 45.100 -0.241 0.000 0.767 207 G HN 0.455 nan 8.290 nan 0.000 0.550 208 M N -0.180 119.420 119.600 0.000 0.000 2.229 208 M HA 0.004 4.484 4.480 -0.001 0.000 0.264 208 M C 2.235 178.655 176.300 0.200 0.000 1.063 208 M CA 0.903 56.339 55.300 0.227 0.000 1.114 208 M CB -0.199 32.543 32.600 0.237 0.000 1.387 208 M HN 0.185 nan 8.290 nan 0.000 0.420 209 H N -0.437 118.753 119.070 0.201 0.000 2.470 209 H HA 0.081 4.637 4.556 -0.001 0.000 0.289 209 H C 2.074 177.593 175.328 0.317 0.000 1.033 209 H CA 1.145 57.300 56.048 0.177 0.000 1.331 209 H CB -0.079 29.673 29.762 -0.016 0.000 1.414 209 H HN 0.409 nan 8.280 nan 0.000 0.545 210 I N 0.345 121.166 120.570 0.419 0.000 2.353 210 I HA -0.219 3.950 4.170 -0.001 0.000 0.248 210 I C 2.110 178.476 176.117 0.415 0.000 1.119 210 I CA 0.753 62.368 61.300 0.525 0.000 1.417 210 I CB 0.011 38.265 38.000 0.423 0.000 1.078 210 I HN 0.108 nan 8.210 nan 0.000 0.421 211 L N -0.589 120.840 121.223 0.344 0.000 2.049 211 L HA -0.048 4.292 4.340 -0.001 0.000 0.203 211 L C 1.555 178.548 176.870 0.204 0.000 1.074 211 L CA 0.382 55.425 54.840 0.338 0.000 0.749 211 L CB -0.331 41.956 42.059 0.381 0.000 0.907 211 L HN 0.052 nan 8.230 nan 0.000 0.439 212 S N 0.352 116.089 115.700 0.062 0.000 2.506 212 S HA 0.061 4.531 4.470 -0.001 0.000 0.291 212 S C -1.468 173.013 174.600 -0.199 0.000 1.230 212 S CA -1.293 56.741 58.200 -0.276 0.000 1.107 212 S CB 0.677 63.251 63.200 -1.043 0.000 0.942 212 S HN -0.063 nan 8.310 nan 0.000 0.502 213 P HA -0.100 nan 4.420 nan 0.000 0.216 213 P C 1.403 178.620 177.300 -0.137 0.000 1.154 213 P CA 1.349 64.385 63.100 -0.107 0.000 0.865 213 P CB -0.119 31.524 31.700 -0.095 0.000 0.789 214 G N -1.788 106.877 108.800 -0.225 0.000 2.679 214 G HA2 -0.111 3.849 3.960 -0.001 0.000 0.212 214 G HA3 -0.111 3.849 3.960 -0.001 0.000 0.212 214 G C 1.348 176.164 174.900 -0.141 0.000 1.137 214 G CA 0.524 45.511 45.100 -0.190 0.000 0.787 214 G HN 0.240 nan 8.290 nan 0.000 0.534 215 S N -0.558 115.078 115.700 -0.108 0.000 2.524 215 S HA 0.116 4.586 4.470 -0.001 0.000 0.222 215 S C 2.191 176.879 174.600 0.147 0.000 1.040 215 S CA -0.443 57.796 58.200 0.064 0.000 0.915 215 S CB 0.238 63.604 63.200 0.276 0.000 0.831 215 S HN 0.349 nan 8.310 nan 0.000 0.492 216 R N 1.973 122.516 120.500 0.071 0.000 2.119 216 R HA -0.148 4.192 4.340 -0.001 0.000 0.246 216 R C 0.895 177.034 176.300 -0.270 0.000 1.146 216 R CA 1.815 57.878 56.100 -0.061 0.000 0.962 216 R CB -0.548 29.718 30.300 -0.056 0.000 0.863 216 R HN 0.302 nan 8.270 nan 0.000 0.442 217 D N 0.443 120.745 120.400 -0.164 0.000 2.348 217 D HA -0.040 4.599 4.640 -0.001 0.000 0.216 217 D C 1.403 177.593 176.300 -0.184 0.000 0.970 217 D CA 0.756 54.644 54.000 -0.186 0.000 0.889 217 D CB 0.022 40.730 40.800 -0.154 0.000 0.912 217 D HN 0.253 nan 8.370 nan 0.000 0.524 218 L N -0.237 120.925 121.223 -0.102 0.000 2.612 218 L HA 0.167 4.507 4.340 -0.001 0.000 0.230 218 L C -0.046 176.935 176.870 0.186 0.000 1.140 218 L CA -0.128 54.710 54.840 -0.002 0.000 0.896 218 L CB -0.451 41.627 42.059 0.032 0.000 1.065 218 L HN -0.044 nan 8.230 nan 0.000 0.447 219 F N -4.079 115.879 119.950 0.014 0.000 2.713 219 F HA 0.559 5.086 4.527 -0.001 0.000 0.311 219 F C 0.392 176.218 175.800 0.042 0.000 1.141 219 F CA -1.341 56.681 58.000 0.037 0.000 0.939 219 F CB 1.224 40.243 39.000 0.031 0.000 1.325 219 F HN -0.383 nan 8.300 nan 0.000 0.453 220 R N 0.918 121.476 120.500 0.096 0.000 2.087 220 R HA 0.443 4.782 4.340 -0.001 0.000 0.216 220 R C -0.039 176.303 176.300 0.070 0.000 1.114 220 R CA 1.245 57.339 56.100 -0.010 0.000 1.002 220 R CB 0.236 30.542 30.300 0.009 0.000 0.903 220 R HN 0.830 nan 8.270 nan 0.000 0.445 221 R N -1.481 119.180 120.500 0.268 0.000 2.810 221 R HA 0.796 5.135 4.340 -0.001 0.000 0.266 221 R C -1.544 175.013 176.300 0.429 0.000 1.061 221 R CA -0.779 55.504 56.100 0.305 0.000 0.943 221 R CB 1.235 31.558 30.300 0.038 0.000 1.237 221 R HN 0.062 nan 8.270 nan 0.000 0.459 222 A N 0.734 123.798 122.820 0.407 0.000 2.549 222 A HA 0.731 5.051 4.320 -0.001 0.000 0.297 222 A C -1.238 176.461 177.584 0.192 0.000 1.061 222 A CA -0.855 51.341 52.037 0.264 0.000 0.690 222 A CB 1.621 20.721 19.000 0.168 0.000 1.287 222 A HN 0.604 nan 8.150 nan 0.000 0.402 223 I N 1.471 122.106 120.570 0.108 0.000 2.466 223 I HA 0.412 4.582 4.170 -0.001 0.000 0.289 223 I C -1.524 174.630 176.117 0.062 0.000 1.026 223 I CA -0.583 60.706 61.300 -0.019 0.000 1.078 223 I CB 1.956 39.914 38.000 -0.068 0.000 1.249 223 I HN 0.440 nan 8.210 nan 0.000 0.429 224 L N 6.611 127.836 121.223 0.004 0.000 2.343 224 L HA 0.462 4.802 4.340 -0.001 0.000 0.278 224 L C -0.556 176.380 176.870 0.109 0.000 0.996 224 L CA -0.297 54.549 54.840 0.010 0.000 0.831 224 L CB 1.613 43.603 42.059 -0.115 0.000 1.232 224 L HN 0.483 nan 8.230 nan 0.000 0.413 225 Q N 1.798 121.723 119.800 0.209 0.000 2.348 225 Q HA 0.504 4.844 4.340 -0.001 0.000 0.265 225 Q C 0.036 176.164 176.000 0.214 0.000 0.998 225 Q CA -0.539 55.466 55.803 0.336 0.000 0.831 225 Q CB 1.515 30.557 28.738 0.507 0.000 1.251 225 Q HN 0.656 nan 8.270 nan 0.000 0.456 226 S N 0.935 116.751 115.700 0.192 0.000 3.641 226 S HA -0.166 4.304 4.470 -0.001 0.000 0.346 226 S C 0.009 174.748 174.600 0.232 0.000 1.074 226 S CA 0.587 58.916 58.200 0.216 0.000 1.026 226 S CB -1.154 62.213 63.200 0.278 0.000 0.908 226 S HN 0.970 nan 8.310 nan 0.000 0.479 227 G N -0.313 108.563 108.800 0.127 0.000 2.616 227 G HA2 0.650 4.609 3.960 -0.001 0.000 0.294 227 G HA3 0.650 4.609 3.960 -0.001 0.000 0.294 227 G C -0.996 173.848 174.900 -0.094 0.000 1.489 227 G CA 0.166 45.343 45.100 0.128 0.000 0.836 227 G HN 1.144 nan 8.290 nan 0.000 0.527 228 S N 0.804 116.372 115.700 -0.219 0.000 2.570 228 S HA 0.770 5.240 4.470 -0.001 0.000 0.270 228 S C -2.140 172.173 174.600 -0.479 0.000 1.149 228 S CA -1.007 56.920 58.200 -0.456 0.000 0.837 228 S CB 2.930 65.858 63.200 -0.453 0.000 1.124 228 S HN 0.437 nan 8.310 nan 0.000 0.465 229 P HA -0.142 nan 4.420 nan 0.000 0.218 229 P C 0.652 177.716 177.300 -0.393 0.000 1.148 229 P CA 1.448 64.306 63.100 -0.402 0.000 0.822 229 P CB -0.328 31.186 31.700 -0.309 0.000 0.784 230 N N -0.845 117.662 118.700 -0.321 0.000 2.383 230 N HA -0.024 4.716 4.740 -0.001 0.000 0.192 230 N C 0.086 175.372 175.510 -0.374 0.000 1.141 230 N CA -0.161 52.732 53.050 -0.262 0.000 0.851 230 N CB -1.435 37.019 38.487 -0.054 0.000 0.976 230 N HN 0.046 nan 8.380 nan 0.000 0.465 231 C N 2.999 121.962 119.300 -0.561 0.000 2.634 231 C HA 0.067 4.526 4.460 -0.001 0.000 0.417 231 C C -0.137 174.377 174.990 -0.794 0.000 1.334 231 C CA -0.901 57.649 59.018 -0.780 0.000 1.829 231 C CB 1.005 27.949 27.740 -1.327 0.000 2.665 231 C HN 0.367 nan 8.230 nan 0.000 0.614 232 P HA -0.116 nan 4.420 nan 0.000 0.221 232 P C 1.148 178.277 177.300 -0.285 0.000 1.145 232 P CA 1.834 64.680 63.100 -0.424 0.000 0.795 232 P CB -0.075 31.375 31.700 -0.416 0.000 0.775 233 W N -1.461 119.730 121.300 -0.181 0.000 3.211 233 W HA 0.569 5.229 4.660 -0.000 0.000 0.292 233 W C 1.179 177.764 176.519 0.111 0.000 1.268 233 W CA 0.331 57.655 57.345 -0.035 0.000 1.702 233 W CB -1.059 28.443 29.460 0.070 0.000 1.092 233 W HN -0.116 nan 8.180 nan 0.000 0.643 234 A N 1.402 123.919 122.820 -0.505 0.000 2.169 234 A HA 0.176 4.495 4.320 -0.001 0.000 0.212 234 A C 1.051 178.435 177.584 -0.333 0.000 1.153 234 A CA 1.162 52.981 52.037 -0.362 0.000 0.756 234 A CB -0.517 18.014 19.000 -0.782 0.000 0.813 234 A HN 0.223 nan 8.150 nan 0.000 0.471 235 S N -1.877 113.639 115.700 -0.306 0.000 2.615 235 S HA 0.674 5.143 4.470 -0.001 0.000 0.269 235 S C -0.814 173.658 174.600 -0.212 0.000 1.161 235 S CA -0.071 57.944 58.200 -0.308 0.000 0.817 235 S CB 1.343 64.298 63.200 -0.408 0.000 1.131 235 S HN 1.331 nan 8.310 nan 0.000 0.467 236 V N -1.218 118.590 119.914 -0.176 0.000 3.159 236 V HA 0.925 5.045 4.120 -0.001 0.000 0.308 236 V C 0.130 176.155 176.094 -0.114 0.000 1.190 236 V CA -0.469 61.753 62.300 -0.129 0.000 1.037 236 V CB 1.095 32.856 31.823 -0.103 0.000 1.060 236 V HN 1.529 nan 8.190 nan 0.000 0.437 237 S N 0.680 116.323 115.700 -0.094 0.000 2.600 237 S HA 0.344 4.813 4.470 -0.001 0.000 0.265 237 S C 1.314 175.869 174.600 -0.075 0.000 1.325 237 S CA 0.036 58.186 58.200 -0.084 0.000 1.002 237 S CB 1.247 64.408 63.200 -0.066 0.000 0.921 237 S HN 2.134 nan 8.310 nan 0.000 0.554 238 V N -1.174 118.684 119.914 -0.092 0.000 2.515 238 V HA 0.014 4.134 4.120 -0.001 0.000 0.250 238 V C 2.548 178.626 176.094 -0.026 0.000 1.058 238 V CA 1.615 63.866 62.300 -0.082 0.000 1.064 238 V CB -2.043 29.659 31.823 -0.201 0.000 0.675 238 V HN 0.999 nan 8.190 nan 0.000 0.461 239 A N 0.766 123.569 122.820 -0.029 0.000 1.898 239 A HA -0.193 4.127 4.320 -0.001 0.000 0.216 239 A C 2.220 179.786 177.584 -0.030 0.000 1.181 239 A CA 1.955 53.982 52.037 -0.016 0.000 0.620 239 A CB -0.640 18.351 19.000 -0.016 0.000 0.819 239 A HN 0.635 nan 8.150 nan 0.000 0.442 240 E N 0.185 120.357 120.200 -0.046 0.000 2.106 240 E HA -0.028 4.322 4.350 -0.001 0.000 0.192 240 E C 1.938 178.497 176.600 -0.068 0.000 0.984 240 E CA 1.530 57.890 56.400 -0.067 0.000 0.806 240 E CB -0.814 28.838 29.700 -0.080 0.000 0.750 240 E HN 0.385 nan 8.360 nan 0.000 0.458 241 G N 0.730 109.504 108.800 -0.044 0.000 2.418 241 G HA2 -0.353 3.607 3.960 -0.001 0.000 0.217 241 G HA3 -0.353 3.607 3.960 -0.001 0.000 0.217 241 G C 1.759 176.665 174.900 0.010 0.000 1.158 241 G CA 0.901 45.995 45.100 -0.011 0.000 0.771 241 G HN 0.335 nan 8.290 nan 0.000 0.545 242 R N 0.291 120.796 120.500 0.007 0.000 2.070 242 R HA -0.014 4.326 4.340 -0.001 0.000 0.233 242 R C 2.579 178.875 176.300 -0.007 0.000 1.137 242 R CA 1.498 57.604 56.100 0.010 0.000 0.945 242 R CB -0.409 29.903 30.300 0.019 0.000 0.845 242 R HN 0.311 nan 8.270 nan 0.000 0.430 243 R N 0.433 120.918 120.500 -0.025 0.000 2.091 243 R HA -0.158 4.182 4.340 -0.001 0.000 0.238 243 R C 2.192 178.462 176.300 -0.050 0.000 1.136 243 R CA 1.951 58.027 56.100 -0.041 0.000 0.959 243 R CB -0.105 30.159 30.300 -0.060 0.000 0.856 243 R HN 0.285 nan 8.270 nan 0.000 0.437 244 R N -0.337 120.121 120.500 -0.070 0.000 2.115 244 R HA -0.015 4.325 4.340 -0.001 0.000 0.226 244 R C 2.333 178.657 176.300 0.040 0.000 1.100 244 R CA 1.094 57.135 56.100 -0.099 0.000 0.980 244 R CB -0.229 29.906 30.300 -0.275 0.000 0.875 244 R HN 0.249 nan 8.270 nan 0.000 0.445 245 A N 0.739 123.617 122.820 0.095 0.000 1.877 245 A HA -0.114 4.206 4.320 -0.001 0.000 0.216 245 A C 2.318 179.917 177.584 0.025 0.000 1.186 245 A CA 1.374 53.473 52.037 0.103 0.000 0.620 245 A CB -0.540 18.465 19.000 0.008 0.000 0.822 245 A HN 0.106 nan 8.150 nan 0.000 0.443 246 V N 0.037 119.953 119.914 0.004 0.000 2.343 246 V HA -0.218 3.902 4.120 -0.001 0.000 0.247 246 V C 2.590 178.685 176.094 0.001 0.000 1.051 246 V CA 2.366 64.662 62.300 -0.006 0.000 1.036 246 V CB -0.687 31.130 31.823 -0.010 0.000 0.654 246 V HN 0.703 nan 8.190 nan 0.000 0.451 247 E N 0.259 120.459 120.200 -0.000 0.000 2.150 247 E HA -0.207 4.143 4.350 -0.001 0.000 0.193 247 E C 1.897 178.512 176.600 0.024 0.000 0.985 247 E CA 1.082 57.481 56.400 -0.002 0.000 0.814 247 E CB -0.371 29.311 29.700 -0.030 0.000 0.752 247 E HN 0.450 nan 8.360 nan 0.000 0.466 248 L N -0.272 120.986 121.223 0.059 0.000 2.017 248 L HA 0.038 4.377 4.340 -0.001 0.000 0.208 248 L C 2.194 179.087 176.870 0.037 0.000 1.073 248 L CA 2.305 57.197 54.840 0.087 0.000 0.745 248 L CB -1.010 41.145 42.059 0.160 0.000 0.894 248 L HN 0.244 nan 8.230 nan 0.000 0.432 249 G N -0.957 107.850 108.800 0.013 0.000 2.442 249 G HA2 -0.330 3.629 3.960 -0.001 0.000 0.219 249 G HA3 -0.330 3.629 3.960 -0.001 0.000 0.219 249 G C 1.805 176.715 174.900 0.016 0.000 1.141 249 G CA 0.794 45.897 45.100 0.005 0.000 0.763 249 G HN 0.413 nan 8.290 nan 0.000 0.554 250 R N 0.398 120.907 120.500 0.015 0.000 2.120 250 R HA -0.011 4.329 4.340 -0.001 0.000 0.234 250 R C 2.141 178.455 176.300 0.023 0.000 1.123 250 R CA 1.170 57.279 56.100 0.016 0.000 0.975 250 R CB -0.296 30.009 30.300 0.010 0.000 0.866 250 R HN 0.322 nan 8.270 nan 0.000 0.446 251 N N 0.211 118.929 118.700 0.030 0.000 2.396 251 N HA -0.086 4.653 4.740 -0.001 0.000 0.180 251 N C 0.962 176.497 175.510 0.041 0.000 1.028 251 N CA 0.802 53.875 53.050 0.039 0.000 0.893 251 N CB 0.199 38.716 38.487 0.050 0.000 0.967 251 N HN 0.268 nan 8.380 nan 0.000 0.440 252 L N 0.826 122.071 121.223 0.037 0.000 2.700 252 L HA 0.194 4.534 4.340 -0.001 0.000 0.234 252 L C -0.230 176.661 176.870 0.035 0.000 1.156 252 L CA -0.093 54.770 54.840 0.038 0.000 0.946 252 L CB -0.082 41.999 42.059 0.037 0.000 1.216 252 L HN 0.045 nan 8.230 nan 0.000 0.493 253 N N -0.774 117.945 118.700 0.031 0.000 2.740 253 N HA -0.178 4.561 4.740 -0.001 0.000 0.248 253 N C -0.126 175.402 175.510 0.031 0.000 1.062 253 N CA 0.483 53.550 53.050 0.029 0.000 0.704 253 N CB -1.922 36.583 38.487 0.030 0.000 0.968 253 N HN 0.285 nan 8.380 nan 0.000 0.547 254 c N 1.013 119.630 118.600 0.029 0.000 2.534 254 c HA 0.231 4.801 4.570 -0.001 0.000 0.385 254 c C 1.390 175.497 174.090 0.029 0.000 1.264 254 c CA -0.901 55.448 56.329 0.034 0.000 2.342 254 c CB 0.955 43.482 42.510 0.029 0.000 2.564 254 c HN 0.400 nan 8.230 nan 0.000 0.603 255 N N 1.762 120.482 118.700 0.034 0.000 2.475 255 N HA 0.116 4.856 4.740 -0.001 0.000 0.267 255 N C -0.062 175.460 175.510 0.020 0.000 1.169 255 N CA 0.246 53.311 53.050 0.025 0.000 0.947 255 N CB 0.437 38.940 38.487 0.026 0.000 1.061 255 N HN 0.632 nan 8.380 nan 0.000 0.466 256 L N 2.411 123.641 121.223 0.012 0.000 2.818 256 L HA 0.147 4.487 4.340 -0.001 0.000 0.243 256 L C 2.168 179.041 176.870 0.004 0.000 1.185 256 L CA -0.014 54.830 54.840 0.007 0.000 0.988 256 L CB -0.871 41.190 42.059 0.004 0.000 1.292 256 L HN 0.633 nan 8.230 nan 0.000 0.519 257 N N 0.787 119.490 118.700 0.004 0.000 2.166 257 N HA -0.105 4.634 4.740 -0.001 0.000 0.186 257 N C 0.975 176.485 175.510 0.000 0.000 1.019 257 N CA 1.418 54.469 53.050 0.001 0.000 0.856 257 N CB 0.047 38.534 38.487 0.000 0.000 0.993 257 N HN 0.484 nan 8.380 nan 0.000 0.426 258 S N -2.618 113.083 115.700 0.001 0.000 2.579 258 S HA 0.471 4.941 4.470 -0.001 0.000 0.272 258 S C -0.563 174.038 174.600 0.001 0.000 1.141 258 S CA -0.377 57.823 58.200 0.000 0.000 0.843 258 S CB 1.665 64.865 63.200 -0.000 0.000 1.122 258 S HN 0.087 nan 8.310 nan 0.000 0.468 259 D N 1.244 121.642 120.400 -0.003 0.000 2.123 259 D HA -0.082 4.558 4.640 -0.001 0.000 0.196 259 D C 1.537 177.840 176.300 0.006 0.000 0.992 259 D CA 1.879 55.873 54.000 -0.009 0.000 0.833 259 D CB -0.225 40.567 40.800 -0.014 0.000 0.954 259 D HN 0.717 nan 8.370 nan 0.000 0.455 260 E N 0.878 121.089 120.200 0.017 0.000 2.085 260 E HA -0.148 4.201 4.350 -0.001 0.000 0.194 260 E C 2.006 178.646 176.600 0.066 0.000 0.994 260 E CA 0.818 57.242 56.400 0.040 0.000 0.801 260 E CB -0.235 29.481 29.700 0.026 0.000 0.743 260 E HN 0.297 nan 8.360 nan 0.000 0.453 261 E N 0.223 120.446 120.200 0.039 0.000 2.051 261 E HA -0.168 4.182 4.350 -0.001 0.000 0.192 261 E C 2.104 178.752 176.600 0.079 0.000 0.991 261 E CA 0.699 57.128 56.400 0.048 0.000 0.799 261 E CB -0.342 29.369 29.700 0.019 0.000 0.748 261 E HN 0.176 nan 8.360 nan 0.000 0.449 262 L N 1.189 122.435 121.223 0.039 0.000 1.994 262 L HA -0.128 4.211 4.340 -0.001 0.000 0.208 262 L C 2.282 179.160 176.870 0.013 0.000 1.071 262 L CA 1.509 56.358 54.840 0.015 0.000 0.745 262 L CB -0.685 41.361 42.059 -0.023 0.000 0.892 262 L HN 0.055 nan 8.230 nan 0.000 0.431 263 I N -0.870 119.706 120.570 0.009 0.000 2.226 263 I HA -0.326 3.843 4.170 -0.001 0.000 0.245 263 I C 2.612 178.793 176.117 0.106 0.000 1.100 263 I CA 1.475 62.787 61.300 0.020 0.000 1.374 263 I CB -0.700 37.318 38.000 0.030 0.000 1.057 263 I HN 0.491 nan 8.210 nan 0.000 0.413 264 H N 0.597 119.699 119.070 0.053 0.000 2.321 264 H HA -0.260 4.296 4.556 -0.001 0.000 0.300 264 H C 2.463 177.828 175.328 0.063 0.000 1.087 264 H CA 2.301 58.385 56.048 0.059 0.000 1.319 264 H CB -0.237 29.547 29.762 0.036 0.000 1.379 264 H HN 0.492 nan 8.280 nan 0.000 0.501 265 c N 0.883 119.559 118.600 0.126 0.000 2.432 265 c HA -0.088 4.482 4.570 -0.001 0.000 0.277 265 c C 3.089 177.197 174.090 0.029 0.000 1.249 265 c CA 0.845 57.225 56.329 0.084 0.000 1.725 265 c CB -1.408 41.160 42.510 0.097 0.000 2.028 265 c HN 0.567 nan 8.230 nan 0.000 0.477 266 L N 0.271 121.529 121.223 0.058 0.000 2.131 266 L HA -0.088 4.252 4.340 -0.001 0.000 0.210 266 L C 2.964 179.935 176.870 0.168 0.000 1.092 266 L CA 1.420 56.331 54.840 0.118 0.000 0.759 266 L CB -0.672 41.443 42.059 0.094 0.000 0.903 266 L HN 0.356 nan 8.230 nan 0.000 0.435 267 R N -0.393 120.178 120.500 0.118 0.000 2.189 267 R HA -0.084 4.256 4.340 -0.001 0.000 0.218 267 R C 1.778 178.031 176.300 -0.078 0.000 1.074 267 R CA 0.559 56.657 56.100 -0.003 0.000 0.991 267 R CB 0.033 30.307 30.300 -0.044 0.000 0.883 267 R HN 0.295 nan 8.270 nan 0.000 0.457 268 E N 0.587 120.727 120.200 -0.100 0.000 2.385 268 E HA 0.021 4.370 4.350 -0.001 0.000 0.194 268 E C 0.093 176.685 176.600 -0.013 0.000 1.013 268 E CA 0.549 56.904 56.400 -0.075 0.000 0.866 268 E CB 0.229 29.878 29.700 -0.084 0.000 0.832 268 E HN 0.038 nan 8.360 nan 0.000 0.500 269 K N 1.866 122.272 120.400 0.010 0.000 2.326 269 K HA 0.104 4.424 4.320 -0.001 0.000 0.275 269 K C 0.691 177.321 176.600 0.050 0.000 1.018 269 K CA -0.185 56.123 56.287 0.036 0.000 0.962 269 K CB 0.771 33.298 32.500 0.046 0.000 0.953 269 K HN -0.174 nan 8.250 nan 0.000 0.475 270 K N 2.417 122.852 120.400 0.058 0.000 2.230 270 K HA 0.052 4.372 4.320 -0.001 0.000 0.253 270 K C -1.567 175.112 176.600 0.131 0.000 1.008 270 K CA -1.654 54.675 56.287 0.071 0.000 0.910 270 K CB -0.107 32.427 32.500 0.056 0.000 0.994 270 K HN 0.199 nan 8.250 nan 0.000 0.495 271 P HA -0.184 nan 4.420 nan 0.000 0.214 271 P C 1.173 178.659 177.300 0.311 0.000 1.163 271 P CA 1.344 64.641 63.100 0.329 0.000 0.889 271 P CB 0.285 32.047 31.700 0.104 0.000 0.790 272 Q N 0.078 119.986 119.800 0.180 0.000 2.297 272 Q HA -0.189 4.151 4.340 -0.001 0.000 0.208 272 Q C 1.827 177.921 176.000 0.155 0.000 0.981 272 Q CA 1.582 57.484 55.803 0.164 0.000 0.876 272 Q CB -0.823 27.980 28.738 0.108 0.000 0.921 272 Q HN 0.361 nan 8.270 nan 0.000 0.446 273 E N -1.050 119.228 120.200 0.131 0.000 2.106 273 E HA -0.158 4.192 4.350 -0.001 0.000 0.192 273 E C 1.525 178.186 176.600 0.102 0.000 0.984 273 E CA 0.882 57.344 56.400 0.104 0.000 0.806 273 E CB 0.019 29.766 29.700 0.079 0.000 0.750 273 E HN 0.230 nan 8.360 nan 0.000 0.458 274 L N 0.559 121.838 121.223 0.093 0.000 2.027 274 L HA -0.129 4.210 4.340 -0.001 0.000 0.206 274 L C 2.184 179.112 176.870 0.096 0.000 1.074 274 L CA 1.413 56.267 54.840 0.023 0.000 0.745 274 L CB -0.442 41.513 42.059 -0.172 0.000 0.898 274 L HN 0.146 nan 8.230 nan 0.000 0.433 275 I N -0.478 120.211 120.570 0.199 0.000 2.286 275 I HA -0.289 3.880 4.170 -0.001 0.000 0.248 275 I C 1.876 178.168 176.117 0.291 0.000 1.115 275 I CA 1.048 62.518 61.300 0.282 0.000 1.392 275 I CB -0.386 37.825 38.000 0.353 0.000 1.065 275 I HN 0.248 nan 8.210 nan 0.000 0.418 276 D N 0.229 120.769 120.400 0.234 0.000 2.218 276 D HA -0.119 4.521 4.640 -0.001 0.000 0.204 276 D C 1.899 178.330 176.300 0.219 0.000 0.976 276 D CA 1.492 55.629 54.000 0.228 0.000 0.853 276 D CB 0.055 40.953 40.800 0.162 0.000 0.939 276 D HN 0.400 nan 8.370 nan 0.000 0.481 277 V N -2.577 117.444 119.914 0.177 0.000 3.477 277 V HA 0.192 4.312 4.120 -0.001 0.000 0.297 277 V C 1.794 177.972 176.094 0.139 0.000 1.433 277 V CA 0.050 62.441 62.300 0.152 0.000 1.052 277 V CB 0.327 32.214 31.823 0.107 0.000 0.895 277 V HN -0.057 nan 8.190 nan 0.000 0.438 278 E N 0.979 121.255 120.200 0.126 0.000 2.108 278 E HA -0.301 4.049 4.350 -0.001 0.000 0.203 278 E C 1.611 178.115 176.600 -0.160 0.000 1.022 278 E CA 2.835 59.257 56.400 0.036 0.000 0.823 278 E CB -0.306 29.351 29.700 -0.071 0.000 0.744 278 E HN 0.787 nan 8.360 nan 0.000 0.456 279 W N 0.806 122.113 121.300 0.011 0.000 2.595 279 W HA -0.007 4.653 4.660 -0.001 0.000 0.257 279 W C 1.753 178.239 176.519 -0.056 0.000 1.267 279 W CA 0.326 57.628 57.345 -0.071 0.000 1.300 279 W CB -0.106 29.280 29.460 -0.124 0.000 1.120 279 W HN 0.119 nan 8.180 nan 0.000 0.618 280 N N 0.206 118.991 118.700 0.141 0.000 2.573 280 N HA -0.099 4.640 4.740 -0.001 0.000 0.187 280 N C 1.632 177.145 175.510 0.004 0.000 1.107 280 N CA 1.398 54.494 53.050 0.078 0.000 0.918 280 N CB -0.489 38.044 38.487 0.077 0.000 0.966 280 N HN 0.264 nan 8.380 nan 0.000 0.448 281 V N -2.531 117.348 119.914 -0.058 0.000 3.647 281 V HA 0.251 4.371 4.120 -0.001 0.000 0.279 281 V C 0.787 176.772 176.094 -0.182 0.000 1.314 281 V CA -0.164 62.059 62.300 -0.127 0.000 1.125 281 V CB -0.553 31.157 31.823 -0.187 0.000 0.907 281 V HN -0.018 nan 8.190 nan 0.000 0.434 282 L N 2.505 123.640 121.223 -0.147 0.000 2.514 282 L HA 0.159 4.499 4.340 -0.001 0.000 0.280 282 L C -0.276 176.459 176.870 -0.225 0.000 1.223 282 L CA -0.662 54.082 54.840 -0.159 0.000 0.864 282 L CB 0.577 42.610 42.059 -0.043 0.000 1.118 282 L HN 0.180 nan 8.230 nan 0.000 0.494 283 P HA -0.039 nan 4.420 nan 0.000 0.224 283 P C -0.157 176.672 177.300 -0.785 0.000 1.157 283 P CA 1.107 63.794 63.100 -0.689 0.000 0.799 283 P CB 0.312 31.392 31.700 -1.034 0.000 0.809 284 F N -0.521 119.429 119.950 0.000 0.000 2.631 284 F HA 0.414 4.940 4.527 -0.001 0.000 0.328 284 F C 0.425 176.234 175.800 0.015 0.000 1.067 284 F CA -1.601 56.407 58.000 0.012 0.000 0.969 284 F CB -0.011 39.003 39.000 0.023 0.000 1.332 284 F HN -0.363 nan 8.300 nan 0.000 0.490 285 D N 1.161 121.704 120.400 0.239 0.000 2.338 285 D HA 0.391 5.031 4.640 -0.001 0.000 0.255 285 D C -0.643 175.740 176.300 0.139 0.000 1.237 285 D CA 0.383 54.463 54.000 0.134 0.000 0.883 285 D CB 0.380 41.240 40.800 0.099 0.000 1.087 285 D HN 0.630 nan 8.370 nan 0.000 0.485 286 S N 2.623 118.391 115.700 0.113 0.000 2.671 286 S HA 0.696 5.166 4.470 -0.001 0.000 0.277 286 S C -0.969 173.669 174.600 0.063 0.000 1.165 286 S CA -0.949 57.311 58.200 0.100 0.000 0.822 286 S CB 1.181 64.471 63.200 0.150 0.000 1.150 286 S HN 0.267 nan 8.310 nan 0.000 0.479 287 I N 0.705 121.312 120.570 0.062 0.000 2.689 287 I HA 0.725 4.895 4.170 -0.001 0.000 0.299 287 I C -0.701 175.466 176.117 0.082 0.000 1.059 287 I CA -0.701 60.642 61.300 0.072 0.000 1.055 287 I CB 1.412 39.461 38.000 0.083 0.000 1.243 287 I HN 0.850 nan 8.210 nan 0.000 0.425 288 F N 5.340 125.186 119.950 -0.174 0.000 3.071 288 F HA -0.221 4.305 4.527 -0.001 0.000 0.295 288 F C -0.494 174.853 175.800 -0.755 0.000 0.919 288 F CA 0.429 58.105 58.000 -0.539 0.000 1.050 288 F CB -0.657 37.947 39.000 -0.660 0.000 1.040 288 F HN 0.439 nan 8.300 nan 0.000 0.692 289 R N 0.476 120.587 120.500 -0.648 0.000 2.673 289 R HA 0.658 4.998 4.340 -0.001 0.000 0.281 289 R C -1.066 174.787 176.300 -0.745 0.000 0.991 289 R CA -0.578 55.190 56.100 -0.554 0.000 0.896 289 R CB 1.407 31.640 30.300 -0.112 0.000 1.201 289 R HN -0.007 nan 8.270 nan 0.000 0.457 290 F N -0.742 119.305 119.950 0.162 0.000 2.563 290 F HA 0.373 4.900 4.527 -0.001 0.000 0.316 290 F C 1.546 177.239 175.800 -0.177 0.000 1.076 290 F CA -0.824 57.170 58.000 -0.010 0.000 0.921 290 F CB 1.803 40.921 39.000 0.197 0.000 1.209 290 F HN 0.358 nan 8.300 nan 0.000 0.462 291 S N 0.682 116.205 115.700 -0.295 0.000 2.343 291 S HA -0.059 4.411 4.470 -0.001 0.000 0.219 291 S C 0.074 174.249 174.600 -0.708 0.000 1.033 291 S CA 1.270 59.109 58.200 -0.603 0.000 1.014 291 S CB -0.255 62.407 63.200 -0.897 0.000 0.915 291 S HN 0.348 nan 8.310 nan 0.000 0.435 292 F N 1.633 121.595 119.950 0.021 0.000 2.375 292 F HA 0.571 5.097 4.527 -0.001 0.000 0.361 292 F C 0.062 175.897 175.800 0.058 0.000 1.117 292 F CA -0.934 57.119 58.000 0.089 0.000 1.037 292 F CB 1.168 40.265 39.000 0.162 0.000 1.192 292 F HN -0.069 nan 8.300 nan 0.000 0.452 293 V N 0.786 120.712 119.914 0.019 0.000 3.156 293 V HA 0.747 4.866 4.120 -0.001 0.000 0.310 293 V C -2.915 172.937 176.094 -0.403 0.000 1.234 293 V CA -3.341 58.678 62.300 -0.469 0.000 1.065 293 V CB 1.905 33.581 31.823 -0.245 0.000 1.088 293 V HN 0.262 nan 8.190 nan 0.000 0.451 294 P HA 0.221 nan 4.420 nan 0.000 0.266 294 P C -0.616 176.611 177.300 -0.121 0.000 1.193 294 P CA 0.341 63.275 63.100 -0.277 0.000 0.770 294 P CB 0.384 31.820 31.700 -0.440 0.000 0.836 295 V N 1.427 121.360 119.914 0.032 0.000 2.555 295 V HA 0.398 4.518 4.120 -0.001 0.000 0.302 295 V C 0.116 176.266 176.094 0.094 0.000 1.038 295 V CA -0.852 61.456 62.300 0.012 0.000 0.887 295 V CB 1.657 33.495 31.823 0.023 0.000 0.991 295 V HN 0.240 nan 8.190 nan 0.000 0.434 296 I N 5.275 125.833 120.570 -0.021 0.000 2.357 296 I HA 0.151 4.321 4.170 -0.001 0.000 0.300 296 I C 0.895 177.020 176.117 0.013 0.000 1.159 296 I CA 0.337 61.651 61.300 0.022 0.000 1.339 296 I CB -0.190 37.745 38.000 -0.108 0.000 1.458 296 I HN 0.963 nan 8.210 nan 0.000 0.577 297 D N 3.216 123.678 120.400 0.104 0.000 2.360 297 D HA 0.075 4.715 4.640 -0.001 0.000 0.210 297 D C 1.361 177.659 176.300 -0.004 0.000 1.047 297 D CA 0.628 54.587 54.000 -0.068 0.000 0.854 297 D CB 0.551 41.379 40.800 0.047 0.000 0.936 297 D HN 0.633 nan 8.370 nan 0.000 0.514 298 G N 0.380 109.236 108.800 0.092 0.000 2.179 298 G HA2 -0.335 3.625 3.960 -0.001 0.000 0.260 298 G HA3 -0.335 3.625 3.960 -0.001 0.000 0.260 298 G C 0.704 175.670 174.900 0.109 0.000 0.977 298 G CA 0.655 45.813 45.100 0.097 0.000 0.641 298 G HN 0.477 nan 8.290 nan 0.000 0.533 299 E N -1.624 118.650 120.200 0.123 0.000 2.949 299 E HA 0.389 4.738 4.350 -0.001 0.000 0.182 299 E C 1.702 178.319 176.600 0.028 0.000 1.154 299 E CA -0.239 56.211 56.400 0.084 0.000 1.205 299 E CB -0.083 29.685 29.700 0.113 0.000 1.865 299 E HN 0.165 nan 8.360 nan 0.000 0.516 300 F N 1.150 121.009 119.950 -0.152 0.000 2.126 300 F HA -0.064 4.463 4.527 -0.001 0.000 0.299 300 F C 0.235 175.720 175.800 -0.525 0.000 1.096 300 F CA 1.244 59.010 58.000 -0.390 0.000 1.255 300 F CB 0.242 38.895 39.000 -0.577 0.000 0.997 300 F HN -0.108 nan 8.300 nan 0.000 0.479 301 F N 0.827 120.926 119.950 0.249 0.000 2.347 301 F HA 0.353 4.880 4.527 -0.001 0.000 0.366 301 F C -1.664 174.177 175.800 0.068 0.000 1.107 301 F CA -2.911 55.173 58.000 0.140 0.000 1.058 301 F CB 0.578 39.654 39.000 0.127 0.000 1.236 301 F HN -0.227 nan 8.300 nan 0.000 0.456 302 P HA -0.067 nan 4.420 nan 0.000 0.217 302 P C 0.440 177.800 177.300 0.100 0.000 1.150 302 P CA 1.457 64.616 63.100 0.098 0.000 0.832 302 P CB 0.204 31.935 31.700 0.052 0.000 0.787 303 T N -5.827 108.795 114.554 0.113 0.000 2.654 303 T HA 0.472 4.822 4.350 -0.001 0.000 0.289 303 T C -0.230 174.512 174.700 0.070 0.000 1.062 303 T CA -0.660 61.485 62.100 0.074 0.000 1.041 303 T CB 0.668 69.566 68.868 0.049 0.000 1.417 303 T HN -0.022 nan 8.240 nan 0.000 0.510 304 S N 0.057 115.774 115.700 0.028 0.000 2.563 304 S HA 0.148 4.618 4.470 -0.001 0.000 0.284 304 S C 1.469 176.070 174.600 0.001 0.000 1.331 304 S CA -0.664 57.531 58.200 -0.008 0.000 1.047 304 S CB -0.387 62.805 63.200 -0.014 0.000 0.859 304 S HN 0.653 nan 8.310 nan 0.000 0.514 305 L N 0.599 121.785 121.223 -0.060 0.000 2.083 305 L HA -0.089 4.251 4.340 -0.001 0.000 0.209 305 L C 2.904 179.802 176.870 0.048 0.000 1.083 305 L CA 1.848 56.667 54.840 -0.034 0.000 0.752 305 L CB -0.754 41.218 42.059 -0.145 0.000 0.899 305 L HN 0.813 nan 8.230 nan 0.000 0.433 306 E N 0.732 120.957 120.200 0.041 0.000 2.077 306 E HA -0.196 4.154 4.350 -0.001 0.000 0.193 306 E C 2.260 178.917 176.600 0.095 0.000 0.989 306 E CA 1.684 58.143 56.400 0.098 0.000 0.800 306 E CB -0.064 29.684 29.700 0.079 0.000 0.746 306 E HN 0.466 nan 8.360 nan 0.000 0.452 307 S N -0.431 115.307 115.700 0.063 0.000 2.402 307 S HA -0.154 4.316 4.470 -0.001 0.000 0.229 307 S C 2.107 176.745 174.600 0.063 0.000 1.021 307 S CA 1.223 59.456 58.200 0.056 0.000 0.974 307 S CB -0.360 62.861 63.200 0.035 0.000 0.800 307 S HN 0.255 nan 8.310 nan 0.000 0.484 308 M N 0.997 120.651 119.600 0.090 0.000 2.099 308 M HA 0.042 4.522 4.480 -0.001 0.000 0.262 308 M C 2.236 178.662 176.300 0.211 0.000 1.067 308 M CA 1.407 56.783 55.300 0.126 0.000 1.124 308 M CB -0.675 32.033 32.600 0.179 0.000 1.353 308 M HN 0.298 nan 8.290 nan 0.000 0.410 309 L N -0.054 121.304 121.223 0.224 0.000 2.046 309 L HA -0.232 4.107 4.340 -0.001 0.000 0.208 309 L C 2.273 179.286 176.870 0.238 0.000 1.077 309 L CA 0.944 55.945 54.840 0.268 0.000 0.747 309 L CB -0.844 41.291 42.059 0.126 0.000 0.896 309 L HN 0.369 nan 8.230 nan 0.000 0.432 310 N N -0.192 118.596 118.700 0.147 0.000 2.166 310 N HA -0.141 4.598 4.740 -0.001 0.000 0.186 310 N C 1.942 177.495 175.510 0.072 0.000 1.019 310 N CA 1.760 54.890 53.050 0.133 0.000 0.856 310 N CB -0.096 38.455 38.487 0.106 0.000 0.993 310 N HN 0.353 nan 8.380 nan 0.000 0.426 311 S N -1.142 114.530 115.700 -0.046 0.000 2.575 311 S HA 0.238 4.708 4.470 -0.001 0.000 0.215 311 S C 1.300 175.518 174.600 -0.638 0.000 0.966 311 S CA 0.503 58.589 58.200 -0.190 0.000 0.911 311 S CB 0.258 63.386 63.200 -0.121 0.000 0.780 311 S HN 0.386 nan 8.310 nan 0.000 0.514 312 G N 1.881 110.088 108.800 -0.987 0.000 2.143 312 G HA2 -0.287 3.673 3.960 -0.001 0.000 0.248 312 G HA3 -0.287 3.673 3.960 -0.001 0.000 0.248 312 G C -0.010 174.070 174.900 -1.366 0.000 0.991 312 G CA 0.082 43.956 45.100 -2.043 0.000 0.689 312 G HN 0.612 nan 8.290 nan 0.000 0.522 313 N N 0.686 119.007 118.700 -0.630 0.000 2.895 313 N HA 0.517 5.256 4.740 -0.001 0.000 0.277 313 N C -0.145 175.330 175.510 -0.057 0.000 1.185 313 N CA -0.079 52.786 53.050 -0.308 0.000 1.106 313 N CB -0.871 37.553 38.487 -0.105 0.000 1.422 313 N HN 0.738 nan 8.380 nan 0.000 0.521 314 F N -1.023 118.876 119.950 -0.085 0.000 2.807 314 F HA 0.394 4.921 4.527 -0.000 0.000 0.316 314 F C -0.503 175.324 175.800 0.045 0.000 1.162 314 F CA -1.430 56.591 58.000 0.034 0.000 0.910 314 F CB 0.624 39.704 39.000 0.135 0.000 1.314 314 F HN -0.133 nan 8.300 nan 0.000 0.454 315 K N 1.624 122.306 120.400 0.470 0.000 2.416 315 K HA 0.257 4.577 4.320 -0.001 0.000 0.283 315 K C -1.045 175.818 176.600 0.439 0.000 1.037 315 K CA -0.324 56.144 56.287 0.302 0.000 0.995 315 K CB 0.548 33.170 32.500 0.204 0.000 0.938 315 K HN 0.606 nan 8.250 nan 0.000 0.475 316 K N 2.622 123.147 120.400 0.209 0.000 2.262 316 K HA 0.224 4.543 4.320 -0.001 0.000 0.282 316 K C -0.179 176.551 176.600 0.217 0.000 1.066 316 K CA -0.161 56.246 56.287 0.200 0.000 0.901 316 K CB 1.746 34.272 32.500 0.044 0.000 1.089 316 K HN 0.721 nan 8.250 nan 0.000 0.476 317 T N 1.275 116.041 114.554 0.353 0.000 2.647 317 T HA 0.293 4.643 4.350 -0.001 0.000 0.302 317 T C -1.468 173.443 174.700 0.351 0.000 1.389 317 T CA -0.685 61.568 62.100 0.255 0.000 1.037 317 T CB 0.455 69.441 68.868 0.198 0.000 1.755 317 T HN 0.383 nan 8.240 nan 0.000 0.467 318 Q N 1.017 120.988 119.800 0.286 0.000 2.222 318 Q HA 0.765 5.105 4.340 -0.001 0.000 0.252 318 Q C -0.343 175.964 176.000 0.511 0.000 0.926 318 Q CA -0.466 55.569 55.803 0.388 0.000 0.899 318 Q CB 1.357 30.306 28.738 0.352 0.000 1.250 318 Q HN 0.679 nan 8.270 nan 0.000 0.441 319 I N -1.413 119.401 120.570 0.407 0.000 2.865 319 I HA 0.718 4.888 4.170 -0.001 0.000 0.302 319 I C -1.527 174.474 176.117 -0.194 0.000 1.140 319 I CA -1.389 60.003 61.300 0.155 0.000 1.021 319 I CB 1.900 39.812 38.000 -0.147 0.000 1.233 319 I HN 0.552 nan 8.210 nan 0.000 0.427 320 L N 6.697 127.578 121.223 -0.569 0.000 2.410 320 L HA 0.830 5.170 4.340 -0.001 0.000 0.270 320 L C -1.383 175.263 176.870 -0.373 0.000 0.983 320 L CA -0.547 53.848 54.840 -0.742 0.000 0.822 320 L CB 1.783 42.893 42.059 -1.582 0.000 1.285 320 L HN 0.884 nan 8.230 nan 0.000 0.409 321 L N 2.336 123.459 121.223 -0.166 0.000 2.838 321 L HA 1.089 5.428 4.340 -0.001 0.000 0.266 321 L C -0.883 175.741 176.870 -0.410 0.000 1.040 321 L CA -0.348 54.413 54.840 -0.132 0.000 0.906 321 L CB 1.762 43.743 42.059 -0.129 0.000 1.501 321 L HN 0.720 nan 8.230 nan 0.000 0.407 322 G N -0.166 108.221 108.800 -0.687 0.000 2.342 322 G HA2 0.575 4.534 3.960 -0.001 0.000 0.297 322 G HA3 0.575 4.534 3.960 -0.001 0.000 0.297 322 G C -1.564 173.006 174.900 -0.551 0.000 1.313 322 G CA 0.011 44.399 45.100 -1.186 0.000 0.830 322 G HN 1.597 nan 8.290 nan 0.000 0.506 323 V N -2.444 117.310 119.914 -0.265 0.000 3.160 323 V HA 0.886 5.006 4.120 -0.001 0.000 0.310 323 V C -0.940 175.264 176.094 0.185 0.000 1.181 323 V CA -1.399 60.953 62.300 0.085 0.000 1.047 323 V CB 1.923 33.810 31.823 0.106 0.000 1.068 323 V HN 0.705 nan 8.190 nan 0.000 0.441 324 N N 0.823 119.636 118.700 0.189 0.000 2.472 324 N HA 0.432 5.171 4.740 -0.001 0.000 0.289 324 N C 0.555 176.019 175.510 -0.077 0.000 1.156 324 N CA -0.554 52.581 53.050 0.142 0.000 0.940 324 N CB 1.710 40.382 38.487 0.309 0.000 1.200 324 N HN 0.912 nan 8.380 nan 0.000 0.511 325 K N 0.012 120.265 120.400 -0.245 0.000 2.057 325 K HA -0.070 4.250 4.320 -0.001 0.000 0.207 325 K C -0.626 176.065 176.600 0.153 0.000 1.049 325 K CA 1.269 57.488 56.287 -0.114 0.000 0.931 325 K CB 0.195 32.667 32.500 -0.048 0.000 0.714 325 K HN 0.512 nan 8.250 nan 0.000 0.440 326 D N 1.161 121.654 120.400 0.155 0.000 2.795 326 D HA 0.038 4.678 4.640 -0.001 0.000 0.335 326 D C 0.203 176.632 176.300 0.215 0.000 1.262 326 D CA -0.078 54.032 54.000 0.184 0.000 0.885 326 D CB 1.238 42.127 40.800 0.148 0.000 1.047 326 D HN 0.160 nan 8.370 nan 0.000 0.500 327 E N 0.525 120.868 120.200 0.238 0.000 2.118 327 E HA -0.123 4.227 4.350 -0.001 0.000 0.195 327 E C 1.976 178.760 176.600 0.306 0.000 0.992 327 E CA 0.727 57.303 56.400 0.292 0.000 0.804 327 E CB 0.110 29.954 29.700 0.240 0.000 0.741 327 E HN 0.414 nan 8.360 nan 0.000 0.458 328 G N 1.233 110.183 108.800 0.250 0.000 2.572 328 G HA2 -0.181 3.778 3.960 -0.001 0.000 0.216 328 G HA3 -0.181 3.778 3.960 -0.001 0.000 0.216 328 G C 1.712 176.790 174.900 0.295 0.000 1.133 328 G CA 0.855 46.133 45.100 0.298 0.000 0.791 328 G HN 0.353 nan 8.290 nan 0.000 0.538 329 S N 0.718 116.538 115.700 0.200 0.000 2.380 329 S HA -0.211 4.258 4.470 -0.001 0.000 0.229 329 S C 2.043 176.617 174.600 -0.044 0.000 1.043 329 S CA 1.185 59.453 58.200 0.113 0.000 1.038 329 S CB -0.603 62.553 63.200 -0.073 0.000 0.872 329 S HN 0.155 nan 8.310 nan 0.000 0.456 330 F N 1.861 121.693 119.950 -0.196 0.000 2.095 330 F HA 0.026 4.553 4.527 -0.001 0.000 0.298 330 F C 1.953 177.479 175.800 -0.457 0.000 1.104 330 F CA 0.968 58.679 58.000 -0.481 0.000 1.232 330 F CB -0.741 37.733 39.000 -0.877 0.000 0.987 330 F HN 0.177 nan 8.300 nan 0.000 0.475 331 F N -0.684 119.290 119.950 0.041 0.000 2.259 331 F HA -0.116 4.411 4.527 -0.001 0.000 0.298 331 F C 2.175 177.955 175.800 -0.034 0.000 1.088 331 F CA 0.820 58.791 58.000 -0.048 0.000 1.358 331 F CB -1.016 37.899 39.000 -0.141 0.000 1.040 331 F HN -0.119 nan 8.300 nan 0.000 0.505 332 L N -0.800 120.422 121.223 -0.002 0.000 2.044 332 L HA -0.155 4.185 4.340 -0.001 0.000 0.205 332 L C 2.437 179.167 176.870 -0.234 0.000 1.075 332 L CA 0.509 55.102 54.840 -0.413 0.000 0.747 332 L CB -0.730 40.650 42.059 -1.132 0.000 0.903 332 L HN 0.135 nan 8.230 nan 0.000 0.435 333 L N -0.731 120.562 121.223 0.117 0.000 2.013 333 L HA -0.281 4.059 4.340 -0.001 0.000 0.212 333 L C 2.385 179.445 176.870 0.316 0.000 1.073 333 L CA 2.094 57.177 54.840 0.406 0.000 0.753 333 L CB -0.762 41.545 42.059 0.414 0.000 0.890 333 L HN 0.126 nan 8.230 nan 0.000 0.432 334 Y N -0.621 119.743 120.300 0.106 0.000 2.373 334 Y HA 0.168 4.717 4.550 -0.001 0.000 0.293 334 Y C 2.216 178.125 175.900 0.016 0.000 1.129 334 Y CA 1.000 59.144 58.100 0.073 0.000 1.226 334 Y CB -0.236 38.236 38.460 0.020 0.000 1.000 334 Y HN 0.324 nan 8.280 nan 0.000 0.549 335 G N -1.848 107.038 108.800 0.144 0.000 4.213 335 G HA2 0.480 4.440 3.960 -0.001 0.000 0.274 335 G HA3 0.480 4.440 3.960 -0.001 0.000 0.274 335 G C -0.380 174.560 174.900 0.067 0.000 1.033 335 G CA 0.328 45.473 45.100 0.075 0.000 0.822 335 G HN 0.272 nan 8.290 nan 0.000 0.432 336 A N 1.609 124.475 122.820 0.077 0.000 2.330 336 A HA 0.847 5.166 4.320 -0.001 0.000 0.327 336 A C -2.549 175.215 177.584 0.299 0.000 1.155 336 A CA -1.639 50.480 52.037 0.137 0.000 0.803 336 A CB 1.497 20.518 19.000 0.035 0.000 1.208 336 A HN 0.051 nan 8.150 nan 0.000 0.477 337 P HA 0.230 nan 4.420 nan 0.000 0.265 337 P C 0.858 178.241 177.300 0.139 0.000 1.193 337 P CA 1.557 64.749 63.100 0.154 0.000 0.765 337 P CB 1.056 32.807 31.700 0.086 0.000 0.823 338 G N 1.943 110.761 108.800 0.030 0.000 2.232 338 G HA2 -0.216 3.744 3.960 -0.001 0.000 0.226 338 G HA3 -0.216 3.744 3.960 -0.001 0.000 0.226 338 G C -0.242 174.457 174.900 -0.336 0.000 0.996 338 G CA -0.505 44.487 45.100 -0.179 0.000 0.626 338 G HN 0.433 nan 8.290 nan 0.000 0.509 339 F N 2.329 122.220 119.950 -0.099 0.000 2.404 339 F HA 0.700 5.227 4.527 -0.001 0.000 0.345 339 F C 0.687 176.496 175.800 0.015 0.000 1.110 339 F CA -0.208 57.703 58.000 -0.148 0.000 1.130 339 F CB 2.090 41.050 39.000 -0.067 0.000 1.129 339 F HN 0.066 nan 8.300 nan 0.000 0.500 340 S N 1.851 117.681 115.700 0.216 0.000 2.564 340 S HA 0.285 4.755 4.470 -0.001 0.000 0.274 340 S C 0.573 175.415 174.600 0.402 0.000 1.124 340 S CA -1.192 57.164 58.200 0.260 0.000 0.869 340 S CB 2.247 65.521 63.200 0.123 0.000 1.105 340 S HN 0.696 nan 8.310 nan 0.000 0.472 341 K N 0.508 121.091 120.400 0.306 0.000 2.097 341 K HA -0.076 4.243 4.320 -0.001 0.000 0.205 341 K C -0.083 176.578 176.600 0.103 0.000 1.050 341 K CA 1.464 57.841 56.287 0.151 0.000 0.938 341 K CB 0.025 32.348 32.500 -0.295 0.000 0.718 341 K HN 0.479 nan 8.250 nan 0.000 0.442 342 D N 0.195 120.643 120.400 0.080 0.000 2.368 342 D HA 0.026 4.666 4.640 -0.001 0.000 0.218 342 D C -0.049 176.297 176.300 0.076 0.000 1.112 342 D CA 0.107 54.131 54.000 0.040 0.000 0.834 342 D CB 0.789 41.579 40.800 -0.017 0.000 0.953 342 D HN 0.185 nan 8.370 nan 0.000 0.505 343 S N -1.167 114.606 115.700 0.122 0.000 2.709 343 S HA 0.357 4.827 4.470 -0.001 0.000 0.302 343 S C 0.783 175.442 174.600 0.098 0.000 1.127 343 S CA -0.722 57.514 58.200 0.060 0.000 0.905 343 S CB 2.405 65.595 63.200 -0.018 0.000 1.151 343 S HN -0.150 nan 8.310 nan 0.000 0.510 344 E N 0.468 120.674 120.200 0.010 0.000 2.478 344 E HA 0.058 4.408 4.350 -0.001 0.000 0.198 344 E C -0.392 175.984 176.600 -0.372 0.000 1.046 344 E CA 0.376 56.772 56.400 -0.007 0.000 0.870 344 E CB -0.213 29.482 29.700 -0.008 0.000 0.818 344 E HN 0.704 nan 8.360 nan 0.000 0.527 345 S N 1.067 116.485 115.700 -0.469 0.000 3.631 345 S HA -0.180 4.290 4.470 -0.001 0.000 0.366 345 S C -0.260 173.939 174.600 -0.669 0.000 0.993 345 S CA 0.656 58.411 58.200 -0.740 0.000 1.167 345 S CB -1.172 61.184 63.200 -1.406 0.000 0.909 345 S HN 0.281 nan 8.310 nan 0.000 0.478 346 K N 0.872 121.034 120.400 -0.397 0.000 2.412 346 K HA 0.234 4.554 4.320 -0.001 0.000 0.281 346 K C 0.341 176.737 176.600 -0.340 0.000 1.027 346 K CA -0.042 56.066 56.287 -0.298 0.000 0.989 346 K CB 0.357 32.748 32.500 -0.181 0.000 0.935 346 K HN 0.210 nan 8.250 nan 0.000 0.475 347 I N 2.840 123.219 120.570 -0.319 0.000 2.359 347 I HA 0.046 4.215 4.170 -0.001 0.000 0.294 347 I C 1.022 177.053 176.117 -0.143 0.000 0.987 347 I CA -0.266 60.863 61.300 -0.286 0.000 1.225 347 I CB 1.141 38.972 38.000 -0.281 0.000 1.366 347 I HN 0.686 nan 8.210 nan 0.000 0.466 348 S N 6.164 121.798 115.700 -0.109 0.000 2.608 348 S HA 0.219 4.688 4.470 -0.001 0.000 0.261 348 S C 1.140 175.734 174.600 -0.010 0.000 1.314 348 S CA -0.339 57.824 58.200 -0.061 0.000 0.992 348 S CB 1.314 64.487 63.200 -0.045 0.000 0.935 348 S HN 0.631 nan 8.310 nan 0.000 0.564 349 R N 0.597 121.091 120.500 -0.010 0.000 2.115 349 R HA -0.025 4.314 4.340 -0.001 0.000 0.230 349 R C 2.241 178.611 176.300 0.116 0.000 1.111 349 R CA 1.950 58.065 56.100 0.025 0.000 0.976 349 R CB -0.676 29.622 30.300 -0.003 0.000 0.870 349 R HN 0.930 nan 8.270 nan 0.000 0.445 350 E N -0.317 119.928 120.200 0.075 0.000 2.107 350 E HA -0.165 4.184 4.350 -0.001 0.000 0.191 350 E C 0.848 177.502 176.600 0.090 0.000 0.982 350 E CA 1.455 57.904 56.400 0.081 0.000 0.809 350 E CB -0.006 29.722 29.700 0.047 0.000 0.756 350 E HN 0.301 nan 8.360 nan 0.000 0.459 351 D N -0.177 120.268 120.400 0.074 0.000 2.224 351 D HA -0.122 4.518 4.640 -0.001 0.000 0.205 351 D C 1.468 177.845 176.300 0.129 0.000 0.965 351 D CA 0.491 54.533 54.000 0.071 0.000 0.852 351 D CB -0.243 40.559 40.800 0.003 0.000 0.947 351 D HN 0.219 nan 8.370 nan 0.000 0.494 352 F N 0.933 120.889 119.950 0.009 0.000 2.102 352 F HA -0.129 4.398 4.527 -0.001 0.000 0.298 352 F C 2.242 178.073 175.800 0.051 0.000 1.105 352 F CA 1.319 59.340 58.000 0.034 0.000 1.239 352 F CB -0.172 38.825 39.000 -0.004 0.000 0.991 352 F HN -0.157 nan 8.300 nan 0.000 0.474 353 M N -0.222 119.486 119.600 0.181 0.000 2.175 353 M HA -0.160 4.320 4.480 -0.001 0.000 0.264 353 M C 2.435 178.731 176.300 -0.008 0.000 1.063 353 M CA 1.752 57.094 55.300 0.071 0.000 1.119 353 M CB -0.570 32.126 32.600 0.159 0.000 1.377 353 M HN 0.383 nan 8.290 nan 0.000 0.415 354 S N -0.034 115.681 115.700 0.025 0.000 2.428 354 S HA -0.040 4.430 4.470 -0.001 0.000 0.230 354 S C 1.928 176.523 174.600 -0.009 0.000 1.014 354 S CA 1.054 59.264 58.200 0.016 0.000 0.957 354 S CB -0.930 62.294 63.200 0.039 0.000 0.784 354 S HN 0.513 nan 8.310 nan 0.000 0.499 355 G N 1.705 110.487 108.800 -0.029 0.000 2.402 355 G HA2 -0.138 3.821 3.960 -0.001 0.000 0.216 355 G HA3 -0.138 3.821 3.960 -0.001 0.000 0.216 355 G C 1.590 176.404 174.900 -0.143 0.000 1.162 355 G CA 1.018 46.088 45.100 -0.049 0.000 0.777 355 G HN 0.843 nan 8.290 nan 0.000 0.539 356 V N 0.311 120.073 119.914 -0.254 0.000 2.515 356 V HA 0.005 4.124 4.120 -0.001 0.000 0.250 356 V C 2.527 178.550 176.094 -0.118 0.000 1.058 356 V CA 2.670 64.838 62.300 -0.220 0.000 1.064 356 V CB -0.361 31.299 31.823 -0.271 0.000 0.675 356 V HN 0.276 nan 8.190 nan 0.000 0.461 357 K N 0.233 120.581 120.400 -0.088 0.000 2.057 357 K HA -0.104 4.216 4.320 -0.001 0.000 0.207 357 K C 1.878 178.444 176.600 -0.056 0.000 1.049 357 K CA 2.094 58.341 56.287 -0.067 0.000 0.931 357 K CB -0.837 31.642 32.500 -0.036 0.000 0.714 357 K HN 0.455 nan 8.250 nan 0.000 0.440 358 L N 0.749 121.953 121.223 -0.032 0.000 2.083 358 L HA -0.048 4.292 4.340 -0.001 0.000 0.209 358 L C 2.097 178.965 176.870 -0.003 0.000 1.083 358 L CA 1.664 56.503 54.840 -0.002 0.000 0.752 358 L CB -0.972 41.094 42.059 0.011 0.000 0.899 358 L HN 0.154 nan 8.230 nan 0.000 0.433 359 S N -1.589 114.088 115.700 -0.037 0.000 2.428 359 S HA 0.032 4.502 4.470 -0.001 0.000 0.230 359 S C 0.947 175.515 174.600 -0.054 0.000 1.014 359 S CA 0.411 58.590 58.200 -0.036 0.000 0.957 359 S CB 0.222 63.375 63.200 -0.079 0.000 0.784 359 S HN 0.173 nan 8.310 nan 0.000 0.499 360 V N 2.941 122.789 119.914 -0.110 0.000 2.405 360 V HA 0.201 4.320 4.120 -0.001 0.000 0.253 360 V C -1.753 174.177 176.094 -0.274 0.000 0.963 360 V CA -1.365 60.792 62.300 -0.238 0.000 1.003 360 V CB 0.894 32.553 31.823 -0.272 0.000 1.251 360 V HN 0.154 nan 8.190 nan 0.000 0.520 361 P HA -0.213 nan 4.420 nan 0.000 0.216 361 P C 1.127 178.060 177.300 -0.612 0.000 1.150 361 P CA 1.673 64.629 63.100 -0.240 0.000 0.843 361 P CB -0.034 31.663 31.700 -0.005 0.000 0.787 362 H N -0.932 117.830 119.070 -0.513 0.000 2.547 362 H HA 0.493 5.049 4.556 -0.001 0.000 0.274 362 H C 0.288 175.440 175.328 -0.293 0.000 1.024 362 H CA -0.222 55.527 56.048 -0.498 0.000 1.155 362 H CB -0.724 28.910 29.762 -0.213 0.000 1.344 362 H HN 0.013 nan 8.280 nan 0.000 0.598 363 A N 2.107 124.610 122.820 -0.528 0.000 2.301 363 A HA 0.325 4.644 4.320 -0.001 0.000 0.312 363 A C 0.236 177.689 177.584 -0.218 0.000 1.182 363 A CA -0.760 51.058 52.037 -0.364 0.000 0.826 363 A CB 0.724 19.506 19.000 -0.362 0.000 1.134 363 A HN 0.603 nan 8.150 nan 0.000 0.501 364 N N 1.577 120.186 118.700 -0.151 0.000 2.317 364 N HA 0.065 4.804 4.740 -0.001 0.000 0.245 364 N C -0.070 175.393 175.510 -0.078 0.000 1.294 364 N CA -0.160 52.831 53.050 -0.097 0.000 0.924 364 N CB 0.198 38.643 38.487 -0.071 0.000 1.186 364 N HN 0.475 nan 8.380 nan 0.000 0.495 365 D N -0.812 119.559 120.400 -0.047 0.000 2.149 365 D HA -0.126 4.513 4.640 -0.001 0.000 0.198 365 D C 1.668 177.962 176.300 -0.010 0.000 0.990 365 D CA 0.738 54.724 54.000 -0.024 0.000 0.839 365 D CB -0.239 40.554 40.800 -0.011 0.000 0.948 365 D HN 0.468 nan 8.370 nan 0.000 0.460 366 L N 0.627 121.841 121.223 -0.016 0.000 2.017 366 L HA 0.019 4.358 4.340 -0.001 0.000 0.208 366 L C 2.200 179.077 176.870 0.012 0.000 1.073 366 L CA 1.999 56.840 54.840 0.002 0.000 0.745 366 L CB -0.896 41.156 42.059 -0.012 0.000 0.894 366 L HN 0.076 nan 8.230 nan 0.000 0.432 367 G N -0.463 108.318 108.800 -0.033 0.000 2.418 367 G HA2 -0.243 3.717 3.960 -0.001 0.000 0.217 367 G HA3 -0.243 3.717 3.960 -0.001 0.000 0.217 367 G C 1.602 176.503 174.900 0.001 0.000 1.158 367 G CA 1.100 46.173 45.100 -0.045 0.000 0.771 367 G HN 0.426 nan 8.290 nan 0.000 0.545 368 L N 0.425 121.636 121.223 -0.020 0.000 2.083 368 L HA -0.079 4.261 4.340 -0.001 0.000 0.209 368 L C 2.493 179.404 176.870 0.068 0.000 1.083 368 L CA 1.196 56.038 54.840 0.004 0.000 0.752 368 L CB -0.367 41.682 42.059 -0.017 0.000 0.899 368 L HN 0.110 nan 8.230 nan 0.000 0.433 369 D N 0.105 120.551 120.400 0.076 0.000 2.144 369 D HA -0.127 4.513 4.640 -0.001 0.000 0.200 369 D C 2.237 178.628 176.300 0.151 0.000 0.978 369 D CA 1.421 55.489 54.000 0.113 0.000 0.833 369 D CB 0.024 40.873 40.800 0.082 0.000 0.961 369 D HN 0.304 nan 8.370 nan 0.000 0.470 370 A N 0.643 123.566 122.820 0.171 0.000 1.902 370 A HA -0.135 4.185 4.320 -0.001 0.000 0.217 370 A C 2.540 180.252 177.584 0.213 0.000 1.181 370 A CA 1.199 53.397 52.037 0.269 0.000 0.623 370 A CB -0.737 18.523 19.000 0.432 0.000 0.818 370 A HN 0.136 nan 8.150 nan 0.000 0.443 371 V N -0.304 119.735 119.914 0.207 0.000 2.261 371 V HA -0.242 3.878 4.120 -0.001 0.000 0.246 371 V C 2.759 178.945 176.094 0.155 0.000 1.047 371 V CA 2.526 64.879 62.300 0.088 0.000 1.015 371 V CB -1.357 30.539 31.823 0.122 0.000 0.642 371 V HN 0.603 nan 8.190 nan 0.000 0.446 372 T N 0.659 115.339 114.554 0.210 0.000 2.665 372 T HA -0.236 4.114 4.350 -0.001 0.000 0.268 372 T C 1.899 176.812 174.700 0.355 0.000 1.035 372 T CA 2.095 64.408 62.100 0.355 0.000 1.151 372 T CB -0.416 68.668 68.868 0.360 0.000 0.862 372 T HN 0.324 nan 8.240 nan 0.000 0.438 373 L N 1.174 122.583 121.223 0.310 0.000 2.083 373 L HA -0.042 4.298 4.340 -0.001 0.000 0.209 373 L C 2.449 179.408 176.870 0.148 0.000 1.083 373 L CA 1.807 56.862 54.840 0.359 0.000 0.752 373 L CB -0.803 41.394 42.059 0.230 0.000 0.899 373 L HN 0.123 nan 8.230 nan 0.000 0.433 374 Q N -1.367 118.397 119.800 -0.061 0.000 2.226 374 Q HA -0.192 4.147 4.340 -0.001 0.000 0.204 374 Q C 1.146 176.919 176.000 -0.379 0.000 0.975 374 Q CA 1.880 57.468 55.803 -0.358 0.000 0.866 374 Q CB -0.200 27.990 28.738 -0.913 0.000 0.915 374 Q HN 0.705 nan 8.270 nan 0.000 0.440 375 Y N -1.374 118.886 120.300 -0.067 0.000 2.481 375 Y HA 0.322 4.872 4.550 -0.001 0.000 0.247 375 Y C -0.143 175.707 175.900 -0.083 0.000 1.151 375 Y CA -0.195 57.912 58.100 0.012 0.000 1.238 375 Y CB 1.038 39.604 38.460 0.176 0.000 1.179 375 Y HN -0.176 nan 8.280 nan 0.000 0.524 376 T N 0.835 115.310 114.554 -0.133 0.000 2.795 376 T HA 0.089 4.439 4.350 -0.001 0.000 0.282 376 T C -0.771 173.541 174.700 -0.646 0.000 0.980 376 T CA -0.614 61.134 62.100 -0.587 0.000 1.012 376 T CB 0.980 69.181 68.868 -1.111 0.000 0.936 376 T HN -0.012 nan 8.240 nan 0.000 0.457 377 D N 2.039 122.101 120.400 -0.563 0.000 2.411 377 D HA 0.114 4.754 4.640 -0.001 0.000 0.225 377 D C 0.007 176.028 176.300 -0.465 0.000 1.156 377 D CA -0.782 52.999 54.000 -0.365 0.000 0.874 377 D CB 0.370 41.034 40.800 -0.226 0.000 1.034 377 D HN 0.599 nan 8.370 nan 0.000 0.502 378 W N 3.109 124.371 121.300 -0.063 0.000 2.961 378 W HA 0.013 4.673 4.660 -0.001 0.000 0.240 378 W C 1.825 178.315 176.519 -0.047 0.000 1.305 378 W CA -0.298 57.014 57.345 -0.056 0.000 1.465 378 W CB 0.058 29.490 29.460 -0.046 0.000 1.135 378 W HN 0.370 nan 8.180 nan 0.000 0.688 379 M N -0.773 118.860 119.600 0.056 0.000 2.509 379 M HA 0.045 4.524 4.480 -0.001 0.000 0.250 379 M C 0.013 176.306 176.300 -0.010 0.000 1.132 379 M CA 1.199 56.520 55.300 0.036 0.000 1.080 379 M CB -0.065 32.544 32.600 0.014 0.000 1.408 379 M HN -0.135 nan 8.290 nan 0.000 0.484 380 D N 0.268 120.627 120.400 -0.068 0.000 3.404 380 D HA 0.012 4.651 4.640 -0.001 0.000 0.329 380 D C 0.517 176.716 176.300 -0.169 0.000 1.421 380 D CA 0.093 54.038 54.000 -0.092 0.000 0.742 380 D CB 0.294 41.045 40.800 -0.083 0.000 1.290 380 D HN 0.180 nan 8.370 nan 0.000 0.600 381 D N -0.799 119.486 120.400 -0.192 0.000 2.384 381 D HA -0.126 4.514 4.640 -0.001 0.000 0.222 381 D C 0.444 176.598 176.300 -0.244 0.000 0.976 381 D CA 0.313 54.121 54.000 -0.320 0.000 0.915 381 D CB 0.180 40.788 40.800 -0.320 0.000 0.896 381 D HN 0.150 nan 8.370 nan 0.000 0.523 382 N N 0.594 119.205 118.700 -0.149 0.000 2.214 382 N HA -0.035 4.705 4.740 -0.001 0.000 0.214 382 N C -0.054 175.386 175.510 -0.117 0.000 1.132 382 N CA -0.222 52.758 53.050 -0.117 0.000 0.856 382 N CB 0.074 38.521 38.487 -0.068 0.000 1.020 382 N HN 0.161 nan 8.380 nan 0.000 0.509 383 N N 1.068 119.685 118.700 -0.137 0.000 2.405 383 N HA 0.044 4.783 4.740 -0.001 0.000 0.260 383 N C 1.280 176.715 175.510 -0.124 0.000 1.152 383 N CA 0.076 53.058 53.050 -0.113 0.000 0.948 383 N CB 1.010 39.433 38.487 -0.108 0.000 1.111 383 N HN 0.137 nan 8.380 nan 0.000 0.485 384 G N 4.410 113.147 108.800 -0.106 0.000 2.418 384 G HA2 -0.192 3.768 3.960 -0.001 0.000 0.217 384 G HA3 -0.192 3.768 3.960 -0.001 0.000 0.217 384 G C 1.475 176.309 174.900 -0.110 0.000 1.158 384 G CA 0.416 45.445 45.100 -0.119 0.000 0.771 384 G HN 0.625 nan 8.290 nan 0.000 0.545 385 I N 0.890 121.415 120.570 -0.075 0.000 2.252 385 I HA -0.065 4.104 4.170 -0.001 0.000 0.245 385 I C 2.567 178.675 176.117 -0.016 0.000 1.102 385 I CA 1.123 62.401 61.300 -0.037 0.000 1.385 385 I CB -0.998 36.996 38.000 -0.010 0.000 1.064 385 I HN 0.181 nan 8.210 nan 0.000 0.414 386 K N 0.553 120.927 120.400 -0.044 0.000 2.097 386 K HA -0.155 4.165 4.320 -0.001 0.000 0.206 386 K C 1.884 178.454 176.600 -0.050 0.000 1.049 386 K CA 1.183 57.442 56.287 -0.046 0.000 0.933 386 K CB -0.053 32.386 32.500 -0.101 0.000 0.717 386 K HN 0.283 nan 8.250 nan 0.000 0.442 387 N N 0.648 119.285 118.700 -0.106 0.000 2.142 387 N HA -0.152 4.588 4.740 -0.001 0.000 0.186 387 N C 1.679 177.298 175.510 0.181 0.000 1.023 387 N CA 0.959 53.961 53.050 -0.081 0.000 0.852 387 N CB -0.168 38.234 38.487 -0.141 0.000 0.998 387 N HN 0.177 nan 8.380 nan 0.000 0.424 388 R N 1.000 121.539 120.500 0.064 0.000 2.070 388 R HA -0.117 4.223 4.340 -0.001 0.000 0.232 388 R C 0.903 177.364 176.300 0.269 0.000 1.138 388 R CA 1.703 57.867 56.100 0.107 0.000 0.936 388 R CB -0.106 30.145 30.300 -0.082 0.000 0.839 388 R HN 0.102 nan 8.270 nan 0.000 0.429 389 D N -0.637 119.886 120.400 0.205 0.000 2.144 389 D HA -0.096 4.543 4.640 -0.001 0.000 0.199 389 D C 1.712 178.167 176.300 0.259 0.000 0.984 389 D CA 1.448 55.588 54.000 0.234 0.000 0.834 389 D CB -0.541 40.366 40.800 0.178 0.000 0.955 389 D HN 0.528 nan 8.370 nan 0.000 0.465 390 G N 0.737 109.701 108.800 0.273 0.000 2.418 390 G HA2 -0.217 3.743 3.960 -0.001 0.000 0.217 390 G HA3 -0.217 3.743 3.960 -0.001 0.000 0.217 390 G C 1.545 176.631 174.900 0.310 0.000 1.158 390 G CA 0.294 45.614 45.100 0.367 0.000 0.771 390 G HN 0.186 nan 8.290 nan 0.000 0.545 391 L N 1.096 122.527 121.223 0.347 0.000 2.046 391 L HA -0.023 4.317 4.340 -0.001 0.000 0.208 391 L C 2.308 179.240 176.870 0.104 0.000 1.077 391 L CA 1.997 56.924 54.840 0.145 0.000 0.747 391 L CB -0.730 41.498 42.059 0.282 0.000 0.896 391 L HN 0.183 nan 8.230 nan 0.000 0.432 392 D N -0.474 120.053 120.400 0.213 0.000 2.106 392 D HA -0.225 4.415 4.640 -0.001 0.000 0.191 392 D C 1.689 178.074 176.300 0.141 0.000 0.997 392 D CA 1.510 55.630 54.000 0.201 0.000 0.834 392 D CB 0.025 41.000 40.800 0.292 0.000 0.956 392 D HN 0.346 nan 8.370 nan 0.000 0.448 393 D N -0.144 120.355 120.400 0.165 0.000 2.144 393 D HA -0.113 4.527 4.640 -0.001 0.000 0.199 393 D C 2.338 178.638 176.300 0.000 0.000 0.984 393 D CA 0.391 54.497 54.000 0.177 0.000 0.834 393 D CB -0.248 40.770 40.800 0.364 0.000 0.955 393 D HN 0.371 nan 8.370 nan 0.000 0.465 394 I N 0.421 120.830 120.570 -0.268 0.000 2.179 394 I HA -0.244 3.926 4.170 -0.001 0.000 0.242 394 I C 2.418 178.377 176.117 -0.263 0.000 1.088 394 I CA 0.658 61.706 61.300 -0.421 0.000 1.357 394 I CB -0.077 37.653 38.000 -0.451 0.000 1.051 394 I HN -0.110 nan 8.210 nan 0.000 0.409 395 V N 0.740 120.562 119.914 -0.154 0.000 2.295 395 V HA -0.207 3.912 4.120 -0.001 0.000 0.246 395 V C 2.536 178.511 176.094 -0.198 0.000 1.049 395 V CA 2.205 64.423 62.300 -0.137 0.000 1.024 395 V CB -1.421 30.402 31.823 0.001 0.000 0.648 395 V HN 0.572 nan 8.190 nan 0.000 0.447 396 G N -0.413 108.345 108.800 -0.071 0.000 2.402 396 G HA2 -0.219 3.741 3.960 -0.001 0.000 0.216 396 G HA3 -0.219 3.741 3.960 -0.001 0.000 0.216 396 G C 1.237 176.066 174.900 -0.119 0.000 1.162 396 G CA 0.956 46.031 45.100 -0.041 0.000 0.777 396 G HN 0.494 nan 8.290 nan 0.000 0.539 397 D N -0.102 120.231 120.400 -0.111 0.000 2.084 397 D HA -0.103 4.537 4.640 -0.001 0.000 0.194 397 D C 2.091 178.086 176.300 -0.508 0.000 0.990 397 D CA 1.384 55.293 54.000 -0.152 0.000 0.826 397 D CB -0.495 40.360 40.800 0.091 0.000 0.971 397 D HN 0.433 nan 8.370 nan 0.000 0.453 398 H N 0.808 119.252 119.070 -1.043 0.000 2.357 398 H HA 0.027 4.583 4.556 -0.001 0.000 0.301 398 H C 1.506 176.455 175.328 -0.631 0.000 1.082 398 H CA 1.678 57.003 56.048 -1.205 0.000 1.342 398 H CB 0.061 28.898 29.762 -1.542 0.000 1.389 398 H HN -0.008 nan 8.280 nan 0.000 0.511 399 N N -0.745 117.481 118.700 -0.791 0.000 2.409 399 N HA -0.006 4.734 4.740 -0.001 0.000 0.174 399 N C 1.187 176.442 175.510 -0.426 0.000 1.037 399 N CA 1.076 53.613 53.050 -0.856 0.000 0.898 399 N CB 1.012 38.495 38.487 -1.673 0.000 1.010 399 N HN 0.279 nan 8.380 nan 0.000 0.445 400 V N 0.398 120.139 119.914 -0.288 0.000 3.278 400 V HA 0.161 4.280 4.120 -0.001 0.000 0.215 400 V C 2.058 178.131 176.094 -0.035 0.000 1.287 400 V CA -0.030 62.236 62.300 -0.057 0.000 1.302 400 V CB 0.167 32.022 31.823 0.054 0.000 1.228 400 V HN -0.056 nan 8.190 nan 0.000 0.523 401 I N 0.560 121.119 120.570 -0.019 0.000 2.113 401 I HA -0.273 3.896 4.170 -0.001 0.000 0.238 401 I C 2.551 178.682 176.117 0.022 0.000 1.070 401 I CA 1.889 63.207 61.300 0.030 0.000 1.332 401 I CB -0.493 37.564 38.000 0.094 0.000 1.044 401 I HN 0.375 nan 8.210 nan 0.000 0.402 402 c N 0.691 119.296 118.600 0.008 0.000 2.440 402 c HA -0.034 4.536 4.570 -0.001 0.000 0.278 402 c C 0.235 174.363 174.090 0.064 0.000 1.295 402 c CA 0.654 57.031 56.329 0.080 0.000 1.738 402 c CB -1.817 40.791 42.510 0.164 0.000 1.987 402 c HN 0.368 nan 8.230 nan 0.000 0.492 403 P HA -0.080 nan 4.420 nan 0.000 0.217 403 P C 1.752 179.082 177.300 0.050 0.000 1.151 403 P CA 1.012 64.097 63.100 -0.024 0.000 0.828 403 P CB -0.180 31.417 31.700 -0.172 0.000 0.788 404 L N -1.772 119.457 121.223 0.010 0.000 2.093 404 L HA -0.131 4.209 4.340 -0.001 0.000 0.208 404 L C 2.053 178.963 176.870 0.066 0.000 1.085 404 L CA 1.636 56.492 54.840 0.027 0.000 0.755 404 L CB -0.526 41.522 42.059 -0.019 0.000 0.904 404 L HN -0.107 nan 8.230 nan 0.000 0.435 405 M N -1.120 118.514 119.600 0.057 0.000 2.229 405 M HA -0.197 4.282 4.480 -0.001 0.000 0.264 405 M C 2.217 178.583 176.300 0.109 0.000 1.063 405 M CA 1.560 56.891 55.300 0.051 0.000 1.114 405 M CB -1.490 31.157 32.600 0.078 0.000 1.387 405 M HN 0.436 nan 8.290 nan 0.000 0.420 406 H N -0.190 118.921 119.070 0.068 0.000 2.357 406 H HA -0.150 4.406 4.556 -0.001 0.000 0.301 406 H C 1.833 177.212 175.328 0.085 0.000 1.082 406 H CA 1.842 57.938 56.048 0.079 0.000 1.342 406 H CB -0.335 29.470 29.762 0.073 0.000 1.389 406 H HN 0.226 nan 8.280 nan 0.000 0.511 407 F N 0.069 119.975 119.950 -0.073 0.000 2.134 407 F HA -0.172 4.355 4.527 -0.001 0.000 0.299 407 F C 2.448 178.160 175.800 -0.146 0.000 1.097 407 F CA 1.488 59.398 58.000 -0.150 0.000 1.264 407 F CB -0.826 38.093 39.000 -0.134 0.000 1.001 407 F HN 0.149 nan 8.300 nan 0.000 0.479 408 V N 0.939 120.770 119.914 -0.138 0.000 2.427 408 V HA -0.255 3.864 4.120 -0.001 0.000 0.248 408 V C 2.174 178.125 176.094 -0.238 0.000 1.051 408 V CA 2.414 64.522 62.300 -0.321 0.000 1.048 408 V CB -0.612 30.932 31.823 -0.465 0.000 0.666 408 V HN 0.422 nan 8.190 nan 0.000 0.456 409 N N -0.067 118.574 118.700 -0.097 0.000 2.188 409 N HA -0.104 4.636 4.740 -0.001 0.000 0.184 409 N C 1.793 177.292 175.510 -0.018 0.000 1.018 409 N CA 1.076 54.171 53.050 0.075 0.000 0.858 409 N CB -0.174 38.387 38.487 0.123 0.000 0.989 409 N HN 0.424 nan 8.380 nan 0.000 0.426 410 K N 0.340 120.637 120.400 -0.172 0.000 2.103 410 K HA -0.089 4.231 4.320 -0.001 0.000 0.204 410 K C 1.886 178.470 176.600 -0.027 0.000 1.052 410 K CA 0.527 56.745 56.287 -0.115 0.000 0.945 410 K CB -0.594 31.764 32.500 -0.235 0.000 0.722 410 K HN 0.276 nan 8.250 nan 0.000 0.443 411 Y N 2.280 122.330 120.300 -0.416 0.000 2.163 411 Y HA -0.208 4.342 4.550 -0.001 0.000 0.288 411 Y C 2.263 178.157 175.900 -0.010 0.000 1.136 411 Y CA 1.884 59.722 58.100 -0.437 0.000 1.147 411 Y CB -0.412 37.477 38.460 -0.952 0.000 0.987 411 Y HN 0.006 nan 8.280 nan 0.000 0.509 412 T N -0.252 114.352 114.554 0.083 0.000 2.778 412 T HA -0.224 4.125 4.350 -0.001 0.000 0.269 412 T C 1.936 176.647 174.700 0.019 0.000 1.050 412 T CA 1.719 63.899 62.100 0.132 0.000 1.137 412 T CB -0.252 68.808 68.868 0.321 0.000 0.860 412 T HN 0.186 nan 8.240 nan 0.000 0.468 413 K N 0.463 120.850 120.400 -0.022 0.000 2.152 413 K HA -0.006 4.314 4.320 -0.001 0.000 0.206 413 K C 1.723 178.048 176.600 -0.458 0.000 1.048 413 K CA 1.024 57.166 56.287 -0.241 0.000 0.933 413 K CB -0.561 31.747 32.500 -0.320 0.000 0.721 413 K HN 0.643 nan 8.250 nan 0.000 0.447 414 F N -0.534 119.358 119.950 -0.097 0.000 2.727 414 F HA 0.354 4.881 4.527 -0.001 0.000 0.302 414 F C 1.680 177.358 175.800 -0.202 0.000 1.107 414 F CA -0.330 57.570 58.000 -0.167 0.000 1.277 414 F CB -0.091 38.736 39.000 -0.288 0.000 1.079 414 F HN 0.168 nan 8.300 nan 0.000 0.594 415 G N -0.075 108.646 108.800 -0.132 0.000 2.611 415 G HA2 -0.044 3.915 3.960 -0.001 0.000 0.273 415 G HA3 -0.044 3.915 3.960 -0.001 0.000 0.273 415 G C 0.426 175.362 174.900 0.060 0.000 1.305 415 G CA -0.313 44.725 45.100 -0.104 0.000 1.010 415 G HN 0.289 nan 8.290 nan 0.000 0.509 416 N N -0.704 118.086 118.700 0.150 0.000 2.204 416 N HA 0.272 5.011 4.740 -0.001 0.000 0.219 416 N C 0.302 175.892 175.510 0.133 0.000 1.151 416 N CA 0.453 53.572 53.050 0.115 0.000 0.867 416 N CB 0.448 39.000 38.487 0.107 0.000 1.043 416 N HN 0.838 nan 8.380 nan 0.000 0.516 417 G N 0.367 109.268 108.800 0.168 0.000 2.158 417 G HA2 0.067 4.026 3.960 -0.001 0.000 0.238 417 G HA3 0.067 4.026 3.960 -0.001 0.000 0.238 417 G C -1.370 173.595 174.900 0.109 0.000 1.723 417 G CA -0.694 44.471 45.100 0.108 0.000 0.911 417 G HN 0.007 nan 8.290 nan 0.000 0.741 418 T N 1.424 115.918 114.554 -0.100 0.000 2.886 418 T HA 0.674 5.023 4.350 -0.001 0.000 0.292 418 T C -1.331 173.136 174.700 -0.388 0.000 1.012 418 T CA -0.406 61.638 62.100 -0.094 0.000 0.982 418 T CB 1.404 70.298 68.868 0.044 0.000 1.018 418 T HN 0.437 nan 8.240 nan 0.000 0.451 419 Y N 1.925 122.127 120.300 -0.163 0.000 2.338 419 Y HA 0.660 5.210 4.550 -0.001 0.000 0.333 419 Y C -0.499 175.450 175.900 0.083 0.000 0.968 419 Y CA -1.172 56.781 58.100 -0.245 0.000 1.123 419 Y CB 1.522 39.336 38.460 -1.076 0.000 1.165 419 Y HN 0.457 nan 8.280 nan 0.000 0.452 420 L N 5.978 127.575 121.223 0.622 0.000 2.322 420 L HA 0.625 4.965 4.340 -0.001 0.000 0.281 420 L C -1.244 176.060 176.870 0.722 0.000 1.014 420 L CA -0.951 54.187 54.840 0.497 0.000 0.815 420 L CB 0.664 42.865 42.059 0.237 0.000 1.247 420 L HN 0.532 nan 8.230 nan 0.000 0.421 421 Y N 3.270 123.874 120.300 0.507 0.000 2.570 421 Y HA 0.733 5.283 4.550 -0.001 0.000 0.345 421 Y C -1.735 174.425 175.900 0.434 0.000 1.014 421 Y CA -2.074 56.252 58.100 0.377 0.000 1.063 421 Y CB 1.278 39.899 38.460 0.268 0.000 1.272 421 Y HN 0.531 nan 8.280 nan 0.000 0.477 422 F N 4.270 124.547 119.950 0.545 0.000 2.500 422 F HA 0.465 4.992 4.527 -0.001 0.000 0.349 422 F C -1.857 174.264 175.800 0.535 0.000 1.127 422 F CA -1.902 56.355 58.000 0.429 0.000 0.998 422 F CB 0.743 39.974 39.000 0.386 0.000 1.237 422 F HN 0.570 nan 8.300 nan 0.000 0.439 423 F N 8.241 128.272 119.950 0.135 0.000 2.421 423 F HA 0.309 4.836 4.527 -0.001 0.000 0.358 423 F C 0.179 175.870 175.800 -0.183 0.000 1.115 423 F CA -0.267 57.762 58.000 0.049 0.000 1.160 423 F CB 0.533 39.620 39.000 0.145 0.000 1.123 423 F HN 0.546 nan 8.300 nan 0.000 0.508 424 N N 3.574 121.956 118.700 -0.529 0.000 2.517 424 N HA 0.078 4.817 4.740 -0.001 0.000 0.285 424 N C -1.259 174.023 175.510 -0.380 0.000 1.528 424 N CA -0.483 52.343 53.050 -0.374 0.000 0.892 424 N CB -0.647 37.796 38.487 -0.073 0.000 1.356 424 N HN 0.648 nan 8.380 nan 0.000 0.495 425 H N 0.577 119.130 119.070 -0.862 0.000 2.488 425 H HA 0.446 5.002 4.556 -0.001 0.000 0.322 425 H C -0.457 174.693 175.328 -0.296 0.000 1.078 425 H CA -0.620 55.108 56.048 -0.533 0.000 1.260 425 H CB 1.106 30.480 29.762 -0.646 0.000 1.425 425 H HN 0.135 nan 8.280 nan 0.000 0.471 426 R N 4.143 124.243 120.500 -0.668 0.000 2.254 426 R HA 0.541 4.881 4.340 -0.001 0.000 0.318 426 R C -0.609 175.456 176.300 -0.391 0.000 1.031 426 R CA -0.655 55.258 56.100 -0.312 0.000 0.905 426 R CB 0.529 30.726 30.300 -0.171 0.000 1.050 426 R HN 0.810 nan 8.270 nan 0.000 0.456 427 A N 3.011 125.911 122.820 0.134 0.000 2.567 427 A HA -0.002 4.317 4.320 -0.001 0.000 0.240 427 A C 1.315 178.993 177.584 0.156 0.000 1.053 427 A CA 0.537 52.810 52.037 0.393 0.000 0.755 427 A CB 0.266 19.604 19.000 0.563 0.000 0.978 427 A HN 1.019 nan 8.150 nan 0.000 0.507 428 S N 1.702 117.528 115.700 0.211 0.000 2.423 428 S HA -0.174 4.296 4.470 -0.001 0.000 0.231 428 S C 0.950 175.545 174.600 -0.008 0.000 1.014 428 S CA 1.163 59.415 58.200 0.087 0.000 0.965 428 S CB -0.436 62.839 63.200 0.126 0.000 0.785 428 S HN 0.941 nan 8.310 nan 0.000 0.495 429 N N 0.888 119.542 118.700 -0.078 0.000 2.251 429 N HA 0.217 4.957 4.740 -0.001 0.000 0.217 429 N C -0.114 175.319 175.510 -0.128 0.000 1.124 429 N CA -0.329 52.621 53.050 -0.167 0.000 0.843 429 N CB -0.634 37.635 38.487 -0.364 0.000 1.024 429 N HN 0.397 nan 8.380 nan 0.000 0.501 430 L N 1.356 122.545 121.223 -0.056 0.000 2.499 430 L HA -0.011 4.329 4.340 -0.001 0.000 0.273 430 L C 1.461 178.274 176.870 -0.095 0.000 1.195 430 L CA -0.295 54.512 54.840 -0.055 0.000 0.882 430 L CB 0.988 43.017 42.059 -0.049 0.000 1.133 430 L HN 0.149 nan 8.230 nan 0.000 0.483 431 V N -0.017 119.800 119.914 -0.162 0.000 3.406 431 V HA 0.027 4.147 4.120 -0.001 0.000 0.263 431 V C 0.596 176.613 176.094 -0.130 0.000 1.172 431 V CA -0.426 61.760 62.300 -0.190 0.000 1.140 431 V CB -0.838 30.772 31.823 -0.354 0.000 0.784 431 V HN 0.594 nan 8.190 nan 0.000 0.467 432 W N 2.121 123.378 121.300 -0.071 0.000 2.150 432 W HA 0.466 5.126 4.660 -0.001 0.000 0.341 432 W C -1.648 174.725 176.519 -0.242 0.000 1.276 432 W CA -1.899 55.352 57.345 -0.156 0.000 1.238 432 W CB -0.064 29.180 29.460 -0.360 0.000 1.128 432 W HN 0.033 nan 8.180 nan 0.000 0.581 433 P HA -0.047 nan 4.420 nan 0.000 0.270 433 P C 0.247 177.430 177.300 -0.195 0.000 1.223 433 P CA 0.195 63.217 63.100 -0.130 0.000 0.785 433 P CB 1.168 32.799 31.700 -0.115 0.000 0.923 434 E N 1.783 121.948 120.200 -0.059 0.000 2.097 434 E HA -0.181 4.169 4.350 -0.001 0.000 0.196 434 E C 1.727 178.342 176.600 0.025 0.000 1.000 434 E CA 1.745 58.139 56.400 -0.010 0.000 0.804 434 E CB -0.760 28.973 29.700 0.055 0.000 0.740 434 E HN 0.649 nan 8.360 nan 0.000 0.454 435 W N -0.557 120.768 121.300 0.042 0.000 2.468 435 W HA -0.139 4.520 4.660 -0.001 0.000 0.262 435 W C 1.201 177.760 176.519 0.068 0.000 1.241 435 W CA 0.550 57.931 57.345 0.059 0.000 1.232 435 W CB -0.741 28.762 29.460 0.072 0.000 1.124 435 W HN 0.069 nan 8.180 nan 0.000 0.597 436 M N 1.292 120.566 119.600 -0.543 0.000 2.562 436 M HA 0.145 4.625 4.480 -0.001 0.000 0.257 436 M C 1.721 177.909 176.300 -0.186 0.000 1.099 436 M CA 1.493 56.442 55.300 -0.585 0.000 1.099 436 M CB -0.568 31.456 32.600 -0.960 0.000 1.427 436 M HN 0.167 nan 8.290 nan 0.000 0.489 437 G N 0.483 109.230 108.800 -0.088 0.000 2.550 437 G HA2 -0.279 3.680 3.960 -0.001 0.000 0.277 437 G HA3 -0.279 3.680 3.960 -0.001 0.000 0.277 437 G C -0.193 174.697 174.900 -0.016 0.000 1.190 437 G CA -0.263 44.832 45.100 -0.008 0.000 0.971 437 G HN 0.190 nan 8.290 nan 0.000 0.559 438 V N 2.145 122.084 119.914 0.043 0.000 2.267 438 V HA 0.373 4.492 4.120 -0.001 0.000 0.254 438 V C 1.124 177.330 176.094 0.187 0.000 1.144 438 V CA -0.128 62.240 62.300 0.114 0.000 0.992 438 V CB -0.159 31.714 31.823 0.083 0.000 1.199 438 V HN 0.531 nan 8.190 nan 0.000 0.493 439 I N 2.678 123.343 120.570 0.158 0.000 2.813 439 I HA 0.048 4.218 4.170 -0.001 0.000 0.287 439 I C 1.018 177.399 176.117 0.440 0.000 1.196 439 I CA -0.266 61.154 61.300 0.200 0.000 1.421 439 I CB 0.080 38.058 38.000 -0.038 0.000 1.365 439 I HN 0.584 nan 8.210 nan 0.000 0.591 440 H N 4.734 123.989 119.070 0.308 0.000 3.125 440 H HA 0.143 4.699 4.556 -0.001 0.000 0.310 440 H C 1.044 176.501 175.328 0.214 0.000 0.980 440 H CA 1.034 57.242 56.048 0.266 0.000 1.422 440 H CB 0.244 30.172 29.762 0.277 0.000 1.432 440 H HN 0.776 nan 8.280 nan 0.000 0.577 441 G N 3.518 112.173 108.800 -0.242 0.000 2.199 441 G HA2 -0.331 3.629 3.960 -0.001 0.000 0.254 441 G HA3 -0.331 3.629 3.960 -0.001 0.000 0.254 441 G C 0.555 175.376 174.900 -0.131 0.000 0.982 441 G CA 0.441 45.339 45.100 -0.337 0.000 0.632 441 G HN 0.647 nan 8.290 nan 0.000 0.529 442 Y N 1.432 121.864 120.300 0.220 0.000 2.495 442 Y HA 0.269 4.819 4.550 -0.001 0.000 0.293 442 Y C 2.213 178.284 175.900 0.284 0.000 1.186 442 Y CA 0.871 59.175 58.100 0.341 0.000 1.266 442 Y CB 0.451 39.149 38.460 0.398 0.000 1.101 442 Y HN 0.505 nan 8.280 nan 0.000 0.517 443 E N -0.250 119.926 120.200 -0.041 0.000 2.415 443 E HA -0.023 4.326 4.350 -0.001 0.000 0.197 443 E C 1.586 178.126 176.600 -0.099 0.000 1.007 443 E CA 0.511 56.553 56.400 -0.596 0.000 0.890 443 E CB -0.370 28.590 29.700 -1.234 0.000 0.891 443 E HN 0.520 nan 8.360 nan 0.000 0.496 444 I N 2.819 123.425 120.570 0.061 0.000 2.163 444 I HA -0.315 3.854 4.170 -0.001 0.000 0.243 444 I C 2.681 178.881 176.117 0.139 0.000 1.085 444 I CA 2.160 63.566 61.300 0.176 0.000 1.347 444 I CB -0.486 37.684 38.000 0.283 0.000 1.044 444 I HN 0.217 nan 8.210 nan 0.000 0.408 445 E N 1.080 121.307 120.200 0.045 0.000 2.171 445 E HA -0.258 4.092 4.350 -0.001 0.000 0.197 445 E C 2.070 178.506 176.600 -0.273 0.000 0.997 445 E CA 1.648 57.980 56.400 -0.113 0.000 0.810 445 E CB -0.621 29.001 29.700 -0.131 0.000 0.738 445 E HN 0.452 nan 8.360 nan 0.000 0.467 446 F N 1.099 120.979 119.950 -0.117 0.000 2.293 446 F HA -0.039 4.488 4.527 -0.001 0.000 0.297 446 F C 2.409 178.040 175.800 -0.281 0.000 1.089 446 F CA 0.594 58.476 58.000 -0.195 0.000 1.377 446 F CB -0.152 38.781 39.000 -0.111 0.000 1.051 446 F HN -0.131 nan 8.300 nan 0.000 0.511 447 V N -1.048 118.779 119.914 -0.145 0.000 2.427 447 V HA -0.262 3.858 4.120 -0.001 0.000 0.248 447 V C 1.619 177.487 176.094 -0.375 0.000 1.051 447 V CA 1.582 63.637 62.300 -0.408 0.000 1.048 447 V CB -0.614 30.988 31.823 -0.368 0.000 0.666 447 V HN 0.212 nan 8.190 nan 0.000 0.456 448 F N 0.424 120.251 119.950 -0.204 0.000 2.732 448 F HA 0.399 4.926 4.527 -0.001 0.000 0.303 448 F C 1.795 177.520 175.800 -0.126 0.000 1.110 448 F CA 0.622 58.529 58.000 -0.155 0.000 1.355 448 F CB -0.241 38.652 39.000 -0.178 0.000 1.081 448 F HN 0.255 nan 8.300 nan 0.000 0.565 449 G N 0.323 109.046 108.800 -0.127 0.000 2.198 449 G HA2 -0.281 3.679 3.960 -0.001 0.000 0.260 449 G HA3 -0.281 3.679 3.960 -0.001 0.000 0.260 449 G C 1.121 175.720 174.900 -0.501 0.000 1.025 449 G CA 0.357 45.306 45.100 -0.252 0.000 0.769 449 G HN 0.259 nan 8.290 nan 0.000 0.507 450 L N -0.314 120.596 121.223 -0.521 0.000 2.127 450 L HA -0.061 4.278 4.340 -0.001 0.000 0.211 450 L C 0.245 176.699 176.870 -0.693 0.000 1.089 450 L CA 2.471 56.953 54.840 -0.598 0.000 0.757 450 L CB -1.936 39.906 42.059 -0.360 0.000 0.899 450 L HN 0.205 nan 8.230 nan 0.000 0.434 451 P HA -0.097 nan 4.420 nan 0.000 0.228 451 P C 1.805 178.876 177.300 -0.382 0.000 1.151 451 P CA 0.819 63.362 63.100 -0.929 0.000 0.770 451 P CB 0.067 31.168 31.700 -0.998 0.000 0.786 452 L N -1.647 119.347 121.223 -0.383 0.000 2.492 452 L HA 0.066 4.406 4.340 -0.001 0.000 0.223 452 L C 1.050 177.795 176.870 -0.209 0.000 1.132 452 L CA 0.319 55.014 54.840 -0.242 0.000 0.850 452 L CB -0.367 41.571 42.059 -0.201 0.000 0.966 452 L HN -0.093 nan 8.230 nan 0.000 0.454 453 V N 0.045 119.799 119.914 -0.267 0.000 2.334 453 V HA 0.191 4.311 4.120 -0.001 0.000 0.267 453 V C 1.369 177.423 176.094 -0.065 0.000 1.040 453 V CA -0.681 61.521 62.300 -0.163 0.000 0.866 453 V CB 1.057 32.758 31.823 -0.204 0.000 1.019 453 V HN 0.121 nan 8.190 nan 0.000 0.468 454 K N 4.383 124.758 120.400 -0.041 0.000 2.097 454 K HA -0.255 4.065 4.320 -0.001 0.000 0.214 454 K C 1.605 178.196 176.600 -0.015 0.000 1.052 454 K CA 2.397 58.675 56.287 -0.016 0.000 0.932 454 K CB -0.331 32.159 32.500 -0.017 0.000 0.716 454 K HN 0.910 nan 8.250 nan 0.000 0.455 455 E N 0.819 121.004 120.200 -0.025 0.000 2.209 455 E HA -0.104 4.246 4.350 -0.001 0.000 0.196 455 E C 1.855 178.429 176.600 -0.044 0.000 0.993 455 E CA 0.572 56.952 56.400 -0.033 0.000 0.819 455 E CB -0.316 29.364 29.700 -0.033 0.000 0.745 455 E HN 0.265 nan 8.360 nan 0.000 0.477 456 L N 0.354 121.563 121.223 -0.024 0.000 2.622 456 L HA 0.023 4.363 4.340 -0.001 0.000 0.233 456 L C -0.184 176.598 176.870 -0.146 0.000 1.156 456 L CA 0.267 55.082 54.840 -0.042 0.000 0.866 456 L CB -0.812 41.301 42.059 0.090 0.000 0.980 456 L HN 0.264 nan 8.230 nan 0.000 0.448 457 N N -1.865 116.788 118.700 -0.077 0.000 2.754 457 N HA -0.225 4.514 4.740 -0.001 0.000 0.248 457 N C -0.614 174.800 175.510 -0.161 0.000 1.093 457 N CA 0.093 53.072 53.050 -0.117 0.000 0.699 457 N CB -1.145 37.243 38.487 -0.165 0.000 1.016 457 N HN 0.277 nan 8.380 nan 0.000 0.552 458 Y N 0.416 120.689 120.300 -0.045 0.000 2.480 458 Y HA 0.393 4.943 4.550 -0.001 0.000 0.323 458 Y C 1.612 177.518 175.900 0.011 0.000 1.267 458 Y CA -0.226 57.869 58.100 -0.008 0.000 1.336 458 Y CB 0.613 39.046 38.460 -0.045 0.000 1.361 458 Y HN 0.017 nan 8.280 nan 0.000 0.518 459 T N -2.087 112.603 114.554 0.227 0.000 2.874 459 T HA 0.488 4.838 4.350 -0.001 0.000 0.281 459 T C 1.111 175.874 174.700 0.105 0.000 0.994 459 T CA -0.291 61.888 62.100 0.132 0.000 1.015 459 T CB 1.367 70.311 68.868 0.125 0.000 1.028 459 T HN 0.761 nan 8.240 nan 0.000 0.523 460 A N 1.336 124.191 122.820 0.059 0.000 1.908 460 A HA -0.133 4.187 4.320 -0.001 0.000 0.218 460 A C 2.291 179.889 177.584 0.024 0.000 1.181 460 A CA 1.587 53.643 52.037 0.032 0.000 0.627 460 A CB -0.804 18.207 19.000 0.018 0.000 0.818 460 A HN 0.954 nan 8.150 nan 0.000 0.445 461 E N 0.413 120.629 120.200 0.026 0.000 2.204 461 E HA -0.198 4.151 4.350 -0.001 0.000 0.194 461 E C 1.519 178.110 176.600 -0.015 0.000 0.989 461 E CA 1.267 57.664 56.400 -0.006 0.000 0.824 461 E CB -0.570 29.120 29.700 -0.017 0.000 0.756 461 E HN 0.795 nan 8.360 nan 0.000 0.477 462 E N 1.023 121.257 120.200 0.057 0.000 2.106 462 E HA -0.167 4.182 4.350 -0.001 0.000 0.192 462 E C 2.098 178.775 176.600 0.128 0.000 0.984 462 E CA 1.002 57.505 56.400 0.172 0.000 0.806 462 E CB 0.005 29.939 29.700 0.391 0.000 0.750 462 E HN 0.431 nan 8.360 nan 0.000 0.458 463 E N 0.796 121.011 120.200 0.026 0.000 2.072 463 E HA -0.189 4.160 4.350 -0.001 0.000 0.191 463 E C 2.023 178.601 176.600 -0.036 0.000 0.985 463 E CA 1.009 57.379 56.400 -0.051 0.000 0.801 463 E CB -0.066 29.605 29.700 -0.049 0.000 0.750 463 E HN 0.194 nan 8.360 nan 0.000 0.452 464 A N 1.209 124.014 122.820 -0.025 0.000 1.902 464 A HA -0.166 4.154 4.320 -0.001 0.000 0.217 464 A C 2.165 179.719 177.584 -0.050 0.000 1.181 464 A CA 1.425 53.436 52.037 -0.043 0.000 0.623 464 A CB -0.694 18.281 19.000 -0.041 0.000 0.818 464 A HN 0.420 nan 8.150 nan 0.000 0.443 465 L N -0.171 121.032 121.223 -0.034 0.000 2.017 465 L HA -0.087 4.253 4.340 -0.001 0.000 0.208 465 L C 2.541 179.423 176.870 0.019 0.000 1.073 465 L CA 2.683 57.493 54.840 -0.050 0.000 0.745 465 L CB -0.981 40.990 42.059 -0.145 0.000 0.894 465 L HN 0.338 nan 8.230 nan 0.000 0.432 466 S N -0.621 115.167 115.700 0.148 0.000 2.370 466 S HA -0.240 4.230 4.470 -0.001 0.000 0.226 466 S C 2.214 176.780 174.600 -0.056 0.000 1.033 466 S CA 1.538 59.797 58.200 0.099 0.000 1.011 466 S CB -0.265 62.904 63.200 -0.051 0.000 0.852 466 S HN 0.560 nan 8.310 nan 0.000 0.457 467 R N 0.639 121.096 120.500 -0.072 0.000 2.081 467 R HA -0.045 4.294 4.340 -0.001 0.000 0.235 467 R C 2.681 178.913 176.300 -0.112 0.000 1.131 467 R CA 1.793 57.840 56.100 -0.089 0.000 0.960 467 R CB -0.292 29.955 30.300 -0.089 0.000 0.856 467 R HN 0.569 nan 8.270 nan 0.000 0.436 468 R N 0.242 120.644 120.500 -0.164 0.000 2.115 468 R HA -0.032 4.307 4.340 -0.001 0.000 0.226 468 R C 2.175 178.238 176.300 -0.394 0.000 1.100 468 R CA 1.160 57.059 56.100 -0.335 0.000 0.980 468 R CB -0.522 29.516 30.300 -0.438 0.000 0.875 468 R HN 0.220 nan 8.270 nan 0.000 0.445 469 I N 1.455 121.916 120.570 -0.182 0.000 2.179 469 I HA -0.246 3.923 4.170 -0.001 0.000 0.242 469 I C 2.668 178.701 176.117 -0.140 0.000 1.088 469 I CA 1.470 62.701 61.300 -0.114 0.000 1.357 469 I CB -0.224 37.583 38.000 -0.321 0.000 1.051 469 I HN 0.128 nan 8.210 nan 0.000 0.409 470 M N -0.568 118.929 119.600 -0.172 0.000 2.108 470 M HA -0.281 4.199 4.480 -0.001 0.000 0.261 470 M C 2.429 178.768 176.300 0.065 0.000 1.066 470 M CA 1.868 57.101 55.300 -0.111 0.000 1.107 470 M CB -0.755 31.785 32.600 -0.100 0.000 1.356 470 M HN 0.291 nan 8.290 nan 0.000 0.406 471 H N -0.536 118.514 119.070 -0.035 0.000 2.428 471 H HA -0.113 4.443 4.556 -0.001 0.000 0.296 471 H C 1.516 176.950 175.328 0.177 0.000 1.062 471 H CA 1.708 57.764 56.048 0.014 0.000 1.350 471 H CB 0.058 29.781 29.762 -0.065 0.000 1.403 471 H HN 0.271 nan 8.280 nan 0.000 0.533 472 Y N -0.940 119.491 120.300 0.218 0.000 2.163 472 Y HA -0.222 4.328 4.550 -0.001 0.000 0.288 472 Y C 2.491 178.586 175.900 0.325 0.000 1.136 472 Y CA 1.023 59.296 58.100 0.288 0.000 1.147 472 Y CB -1.027 37.804 38.460 0.619 0.000 0.987 472 Y HN 0.350 nan 8.280 nan 0.000 0.509 473 W N -0.447 120.954 121.300 0.169 0.000 2.355 473 W HA -0.221 4.439 4.660 -0.001 0.000 0.309 473 W C 2.548 179.054 176.519 -0.022 0.000 1.206 473 W CA 1.064 58.432 57.345 0.038 0.000 1.284 473 W CB -0.389 29.036 29.460 -0.059 0.000 1.145 473 W HN 0.052 nan 8.180 nan 0.000 0.502 474 A N -0.158 122.761 122.820 0.165 0.000 1.930 474 A HA -0.142 4.178 4.320 -0.001 0.000 0.217 474 A C 1.790 179.350 177.584 -0.040 0.000 1.175 474 A CA 2.071 54.121 52.037 0.022 0.000 0.627 474 A CB -1.100 17.904 19.000 0.006 0.000 0.815 474 A HN 0.191 nan 8.150 nan 0.000 0.443 475 T N -0.839 113.648 114.554 -0.111 0.000 2.904 475 T HA -0.074 4.275 4.350 -0.001 0.000 0.267 475 T C 1.569 176.224 174.700 -0.077 0.000 1.059 475 T CA 1.372 63.376 62.100 -0.159 0.000 1.137 475 T CB -0.345 68.356 68.868 -0.279 0.000 0.879 475 T HN 0.508 nan 8.240 nan 0.000 0.467 476 F N 2.383 122.232 119.950 -0.168 0.000 2.146 476 F HA 0.098 4.625 4.527 -0.001 0.000 0.298 476 F C 2.406 178.120 175.800 -0.142 0.000 1.096 476 F CA 0.848 58.717 58.000 -0.219 0.000 1.275 476 F CB -0.610 38.200 39.000 -0.315 0.000 1.008 476 F HN 0.131 nan 8.300 nan 0.000 0.480 477 A N 0.329 123.082 122.820 -0.112 0.000 1.902 477 A HA -0.243 4.077 4.320 -0.001 0.000 0.217 477 A C 2.304 179.760 177.584 -0.213 0.000 1.181 477 A CA 1.972 53.897 52.037 -0.187 0.000 0.623 477 A CB -0.854 18.107 19.000 -0.066 0.000 0.818 477 A HN 0.497 nan 8.150 nan 0.000 0.443 478 K N -0.924 119.384 120.400 -0.154 0.000 2.062 478 K HA -0.114 4.206 4.320 -0.001 0.000 0.205 478 K C 1.861 178.371 176.600 -0.149 0.000 1.051 478 K CA 1.897 58.112 56.287 -0.120 0.000 0.941 478 K CB -0.090 32.363 32.500 -0.078 0.000 0.719 478 K HN 0.626 nan 8.250 nan 0.000 0.440 479 T N -5.072 109.365 114.554 -0.195 0.000 2.959 479 T HA 0.256 4.605 4.350 -0.001 0.000 0.254 479 T C 1.146 175.704 174.700 -0.236 0.000 1.003 479 T CA 0.439 62.437 62.100 -0.171 0.000 0.950 479 T CB 0.912 69.716 68.868 -0.107 0.000 1.090 479 T HN 0.310 nan 8.240 nan 0.000 0.503 480 G N 1.499 110.014 108.800 -0.476 0.000 2.141 480 G HA2 -0.186 3.774 3.960 -0.001 0.000 0.231 480 G HA3 -0.186 3.774 3.960 -0.001 0.000 0.231 480 G C -0.196 174.603 174.900 -0.168 0.000 0.984 480 G CA 0.018 44.779 45.100 -0.565 0.000 0.660 480 G HN 0.851 nan 8.290 nan 0.000 0.525 481 N N -0.269 118.345 118.700 -0.144 0.000 2.478 481 N HA 0.426 5.165 4.740 -0.001 0.000 0.291 481 N C -1.598 173.762 175.510 -0.249 0.000 1.090 481 N CA -1.451 51.489 53.050 -0.183 0.000 0.911 481 N CB 2.446 40.906 38.487 -0.046 0.000 1.546 481 N HN -0.055 nan 8.380 nan 0.000 0.500 482 P HA -0.044 nan 4.420 nan 0.000 0.226 482 P C -0.443 176.860 177.300 0.004 0.000 1.153 482 P CA 0.581 63.533 63.100 -0.246 0.000 0.777 482 P CB 0.357 31.708 31.700 -0.582 0.000 0.794 483 N N 1.464 120.138 118.700 -0.043 0.000 2.530 483 N HA 0.089 4.829 4.740 -0.001 0.000 0.277 483 N C 0.129 175.696 175.510 0.096 0.000 1.168 483 N CA -0.064 53.058 53.050 0.120 0.000 0.979 483 N CB 0.650 39.214 38.487 0.129 0.000 1.141 483 N HN -0.030 nan 8.380 nan 0.000 0.459 484 E N 2.962 123.252 120.200 0.151 0.000 2.257 484 E HA 0.157 4.506 4.350 -0.001 0.000 0.278 484 E C -1.747 174.914 176.600 0.102 0.000 1.049 484 E CA -1.346 55.134 56.400 0.134 0.000 0.876 484 E CB 0.242 30.055 29.700 0.187 0.000 1.035 484 E HN 0.351 nan 8.360 nan 0.000 0.419 491 K N 2.932 123.437 120.400 0.174 0.000 2.276 491 K HA 0.235 4.554 4.320 -0.001 0.000 0.283 491 K C -0.276 176.494 176.600 0.284 0.000 1.044 491 K CA -0.455 55.968 56.287 0.228 0.000 0.944 491 K CB 0.326 32.940 32.500 0.190 0.000 1.012 491 K HN 0.665 nan 8.250 nan 0.000 0.472 492 W N 7.162 128.524 121.300 0.104 0.000 2.437 492 W HA 0.176 4.835 4.660 -0.001 0.000 0.312 492 W C -2.304 174.341 176.519 0.209 0.000 1.242 492 W CA -2.495 54.908 57.345 0.098 0.000 1.340 492 W CB -0.020 29.415 29.460 -0.042 0.000 1.327 492 W HN 0.408 nan 8.180 nan 0.000 0.476 493 P HA 0.059 nan 4.420 nan 0.000 0.276 493 P C -0.529 176.965 177.300 0.324 0.000 1.244 493 P CA -0.573 62.748 63.100 0.369 0.000 0.801 493 P CB 1.624 33.456 31.700 0.220 0.000 1.006 494 L N 2.317 123.584 121.223 0.075 0.000 2.461 494 L HA 0.205 4.544 4.340 -0.001 0.000 0.272 494 L C 0.098 176.960 176.870 -0.012 0.000 1.197 494 L CA -0.232 54.454 54.840 -0.256 0.000 0.836 494 L CB -0.790 41.124 42.059 -0.243 0.000 1.105 494 L HN 0.257 nan 8.230 nan 0.000 0.477 495 F N 3.534 123.394 119.950 -0.150 0.000 2.410 495 F HA 0.529 5.055 4.527 -0.001 0.000 0.348 495 F C 0.236 176.015 175.800 -0.036 0.000 1.106 495 F CA -0.199 57.800 58.000 -0.001 0.000 1.163 495 F CB 0.783 39.809 39.000 0.045 0.000 1.129 495 F HN 0.633 nan 8.300 nan 0.000 0.516 496 T N 1.098 115.341 114.554 -0.519 0.000 2.916 496 T HA 0.279 4.628 4.350 -0.001 0.000 0.292 496 T C 0.785 175.169 174.700 -0.527 0.000 1.055 496 T CA -0.410 61.489 62.100 -0.336 0.000 1.009 496 T CB 1.434 70.189 68.868 -0.189 0.000 1.118 496 T HN 0.553 nan 8.240 nan 0.000 0.497 497 T N 0.886 115.302 114.554 -0.230 0.000 2.699 497 T HA -0.080 4.269 4.350 -0.001 0.000 0.268 497 T C 2.522 177.114 174.700 -0.179 0.000 1.036 497 T CA 2.318 64.325 62.100 -0.155 0.000 1.147 497 T CB -0.743 68.081 68.868 -0.073 0.000 0.862 497 T HN 0.876 nan 8.240 nan 0.000 0.446 498 K N 1.348 121.651 120.400 -0.161 0.000 1.991 498 K HA 0.015 4.334 4.320 -0.001 0.000 0.207 498 K C 2.132 178.649 176.600 -0.138 0.000 1.045 498 K CA 1.598 57.814 56.287 -0.119 0.000 0.937 498 K CB -0.902 31.545 32.500 -0.088 0.000 0.720 498 K HN 0.329 nan 8.250 nan 0.000 0.438 499 E N -0.110 119.984 120.200 -0.176 0.000 2.158 499 E HA 0.016 4.366 4.350 -0.001 0.000 0.191 499 E C 0.153 176.633 176.600 -0.201 0.000 0.982 499 E CA 0.519 56.830 56.400 -0.150 0.000 0.823 499 E CB 0.233 29.864 29.700 -0.114 0.000 0.766 499 E HN 0.554 nan 8.360 nan 0.000 0.468 500 Q N 0.061 119.565 119.800 -0.493 0.000 2.457 500 Q HA -0.243 4.096 4.340 -0.001 0.000 0.283 500 Q C -0.780 175.210 176.000 -0.017 0.000 1.234 500 Q CA 0.601 55.995 55.803 -0.681 0.000 0.877 500 Q CB -1.498 27.110 28.738 -0.216 0.000 1.250 500 Q HN 0.194 nan 8.270 nan 0.000 0.481 501 K N 0.572 120.979 120.400 0.012 0.000 2.295 501 K HA 0.478 4.797 4.320 -0.001 0.000 0.270 501 K C 0.015 176.927 176.600 0.520 0.000 1.011 501 K CA 0.247 56.664 56.287 0.216 0.000 0.953 501 K CB 0.409 32.971 32.500 0.103 0.000 0.956 501 K HN 0.202 nan 8.250 nan 0.000 0.477 502 F N 0.003 120.121 119.950 0.280 0.000 2.686 502 F HA 0.594 5.120 4.527 -0.001 0.000 0.311 502 F C -1.059 174.845 175.800 0.174 0.000 1.128 502 F CA -1.563 56.626 58.000 0.315 0.000 0.946 502 F CB 0.725 39.921 39.000 0.327 0.000 1.336 502 F HN 0.414 nan 8.300 nan 0.000 0.457 503 I N -0.512 120.158 120.570 0.166 0.000 2.693 503 I HA 0.631 4.801 4.170 -0.001 0.000 0.303 503 I C -1.075 175.166 176.117 0.206 0.000 1.025 503 I CA -0.778 60.466 61.300 -0.095 0.000 1.086 503 I CB 1.917 39.636 38.000 -0.469 0.000 1.268 503 I HN 0.464 nan 8.210 nan 0.000 0.440 504 D N 3.845 124.355 120.400 0.183 0.000 2.283 504 D HA 0.440 5.079 4.640 -0.001 0.000 0.248 504 D C -0.915 175.470 176.300 0.141 0.000 1.072 504 D CA -0.021 54.187 54.000 0.348 0.000 0.929 504 D CB 2.327 43.335 40.800 0.346 0.000 1.182 504 D HN 0.263 nan 8.370 nan 0.000 0.433 505 L N 2.851 124.163 121.223 0.148 0.000 2.353 505 L HA 0.275 4.614 4.340 -0.001 0.000 0.270 505 L C -0.572 176.221 176.870 -0.128 0.000 1.003 505 L CA -0.334 54.536 54.840 0.049 0.000 0.862 505 L CB 0.111 42.273 42.059 0.171 0.000 1.221 505 L HN 0.505 nan 8.230 nan 0.000 0.430 506 N N -0.219 118.409 118.700 -0.119 0.000 3.526 506 N HA 0.310 5.049 4.740 -0.001 0.000 0.328 506 N C 0.304 175.707 175.510 -0.178 0.000 1.601 506 N CA -0.023 52.904 53.050 -0.206 0.000 0.834 506 N CB 0.365 38.790 38.487 -0.103 0.000 1.983 506 N HN 0.067 nan 8.380 nan 0.000 0.579 507 T N -3.816 110.622 114.554 -0.193 0.000 3.129 507 T HA 0.210 4.559 4.350 -0.001 0.000 0.251 507 T C -0.027 174.637 174.700 -0.059 0.000 1.117 507 T CA 0.056 62.060 62.100 -0.159 0.000 1.034 507 T CB -0.395 68.345 68.868 -0.214 0.000 0.968 507 T HN 0.373 nan 8.240 nan 0.000 0.526 508 E N 1.967 122.152 120.200 -0.026 0.000 2.280 508 E HA 0.433 4.782 4.350 -0.001 0.000 0.264 508 E C -2.688 173.913 176.600 0.001 0.000 1.064 508 E CA -1.912 54.488 56.400 0.001 0.000 0.900 508 E CB 0.393 30.107 29.700 0.023 0.000 1.123 508 E HN 0.358 nan 8.360 nan 0.000 0.418 509 P HA -0.018 nan 4.420 nan 0.000 0.262 509 P C 0.169 177.472 177.300 0.004 0.000 1.182 509 P CA 0.321 63.427 63.100 0.009 0.000 0.761 509 P CB 0.219 31.924 31.700 0.009 0.000 0.795 510 M N 3.134 122.741 119.600 0.013 0.000 2.219 510 M HA -0.081 4.399 4.480 -0.001 0.000 0.340 510 M C -0.039 176.228 176.300 -0.055 0.000 1.135 510 M CA 1.172 56.468 55.300 -0.007 0.000 0.976 510 M CB 0.058 32.673 32.600 0.024 0.000 1.713 510 M HN 0.217 nan 8.290 nan 0.000 0.457 511 K N 3.317 123.643 120.400 -0.123 0.000 2.482 511 K HA 0.546 4.866 4.320 -0.001 0.000 0.251 511 K C -1.790 174.520 176.600 -0.483 0.000 0.936 511 K CA -0.770 55.362 56.287 -0.258 0.000 0.791 511 K CB 2.107 34.472 32.500 -0.224 0.000 1.213 511 K HN 0.552 nan 8.250 nan 0.000 0.428 512 V N 4.718 124.336 119.914 -0.494 0.000 2.472 512 V HA 0.439 4.559 4.120 -0.001 0.000 0.290 512 V C -0.113 175.545 176.094 -0.728 0.000 1.037 512 V CA -0.534 61.468 62.300 -0.496 0.000 0.908 512 V CB 1.225 32.919 31.823 -0.215 0.000 0.985 512 V HN 0.770 nan 8.190 nan 0.000 0.454 513 H N 2.886 121.612 119.070 -0.574 0.000 2.949 513 H HA 0.671 5.227 4.556 -0.001 0.000 0.310 513 H C -1.115 173.916 175.328 -0.495 0.000 1.405 513 H CA -0.862 54.814 56.048 -0.621 0.000 1.253 513 H CB 2.150 31.345 29.762 -0.946 0.000 1.932 513 H HN 0.581 nan 8.280 nan 0.000 0.602 514 Q N 0.159 119.977 119.800 0.030 0.000 2.416 514 Q HA 0.386 4.726 4.340 -0.001 0.000 0.281 514 Q C -0.702 175.549 176.000 0.419 0.000 1.067 514 Q CA -0.945 55.007 55.803 0.249 0.000 0.809 514 Q CB 3.010 31.815 28.738 0.111 0.000 1.418 514 Q HN 0.474 nan 8.270 nan 0.000 0.411 515 R N 0.847 121.587 120.500 0.400 0.000 3.152 515 R HA -0.194 4.146 4.340 -0.001 0.000 0.252 515 R C -0.527 175.911 176.300 0.231 0.000 0.930 515 R CA -0.147 56.118 56.100 0.275 0.000 0.642 515 R CB -1.520 28.882 30.300 0.170 0.000 1.205 515 R HN 0.490 nan 8.270 nan 0.000 0.452 516 L N 1.950 123.235 121.223 0.103 0.000 2.700 516 L HA -0.041 4.299 4.340 -0.001 0.000 0.276 516 L C 0.972 177.786 176.870 -0.093 0.000 1.200 516 L CA 0.853 55.505 54.840 -0.313 0.000 0.951 516 L CB -0.288 41.254 42.059 -0.862 0.000 1.226 516 L HN 0.455 nan 8.230 nan 0.000 0.489 517 R N 2.178 122.639 120.500 -0.066 0.000 3.387 517 R HA -0.208 4.132 4.340 -0.001 0.000 0.254 517 R C 1.295 177.651 176.300 0.094 0.000 1.006 517 R CA 0.591 56.709 56.100 0.030 0.000 0.677 517 R CB -1.705 28.637 30.300 0.070 0.000 1.063 517 R HN 0.766 nan 8.270 nan 0.000 0.453 518 V N -2.479 117.489 119.914 0.091 0.000 2.252 518 V HA -0.370 3.749 4.120 -0.001 0.000 0.249 518 V C 2.288 178.454 176.094 0.120 0.000 1.056 518 V CA 2.225 64.594 62.300 0.115 0.000 1.022 518 V CB -0.559 31.325 31.823 0.102 0.000 0.641 518 V HN 0.347 nan 8.190 nan 0.000 0.445 519 Q N -0.236 119.617 119.800 0.087 0.000 2.014 519 Q HA -0.214 4.126 4.340 -0.001 0.000 0.207 519 Q C 2.170 178.232 176.000 0.102 0.000 0.993 519 Q CA 2.389 58.230 55.803 0.063 0.000 0.850 519 Q CB -0.437 28.309 28.738 0.014 0.000 0.916 519 Q HN 0.545 nan 8.270 nan 0.000 0.417 520 M N -1.139 118.541 119.600 0.134 0.000 2.175 520 M HA -0.125 4.355 4.480 -0.001 0.000 0.264 520 M C 2.377 178.960 176.300 0.473 0.000 1.063 520 M CA 0.952 56.407 55.300 0.259 0.000 1.119 520 M CB -1.221 31.588 32.600 0.349 0.000 1.377 520 M HN 0.339 nan 8.290 nan 0.000 0.415 521 c N -0.495 118.328 118.600 0.372 0.000 2.448 521 c HA -0.013 4.557 4.570 -0.001 0.000 0.280 521 c C 2.912 177.187 174.090 0.309 0.000 1.398 521 c CA 0.175 56.735 56.329 0.386 0.000 1.774 521 c CB -0.885 41.785 42.510 0.267 0.000 1.888 521 c HN 0.314 nan 8.230 nan 0.000 0.519 522 V N 0.557 120.614 119.914 0.238 0.000 2.515 522 V HA -0.203 3.916 4.120 -0.001 0.000 0.250 522 V C 2.031 178.242 176.094 0.193 0.000 1.058 522 V CA 2.018 64.429 62.300 0.185 0.000 1.064 522 V CB -0.770 31.136 31.823 0.137 0.000 0.675 522 V HN 0.572 nan 8.190 nan 0.000 0.461 523 F N 0.098 120.088 119.950 0.067 0.000 2.075 523 F HA -0.201 4.325 4.527 -0.001 0.000 0.297 523 F C 1.992 177.777 175.800 -0.025 0.000 1.113 523 F CA 1.847 59.834 58.000 -0.022 0.000 1.218 523 F CB -0.406 38.467 39.000 -0.211 0.000 0.984 523 F HN 0.169 nan 8.300 nan 0.000 0.472 524 W N 0.516 121.931 121.300 0.191 0.000 2.436 524 W HA -0.096 4.564 4.660 -0.001 0.000 0.284 524 W C 1.947 178.457 176.519 -0.015 0.000 1.225 524 W CA 0.823 58.213 57.345 0.076 0.000 1.271 524 W CB -0.428 29.195 29.460 0.272 0.000 1.114 524 W HN -0.002 nan 8.180 nan 0.000 0.559 525 N N -0.956 117.871 118.700 0.211 0.000 2.356 525 N HA 0.012 4.752 4.740 -0.001 0.000 0.178 525 N C 1.305 176.821 175.510 0.009 0.000 1.075 525 N CA 0.761 53.854 53.050 0.071 0.000 0.889 525 N CB 0.091 38.636 38.487 0.096 0.000 0.999 525 N HN 0.358 nan 8.380 nan 0.000 0.464 526 Q N -1.143 118.674 119.800 0.029 0.000 2.618 526 Q HA 0.226 4.565 4.340 -0.001 0.000 0.209 526 Q C 1.152 177.143 176.000 -0.015 0.000 0.797 526 Q CA -0.183 55.635 55.803 0.024 0.000 0.888 526 Q CB 0.128 28.915 28.738 0.082 0.000 1.244 526 Q HN 0.105 nan 8.270 nan 0.000 0.626 527 F N 1.834 121.679 119.950 -0.175 0.000 2.084 527 F HA -0.177 4.350 4.527 -0.001 0.000 0.296 527 F C 1.986 177.579 175.800 -0.346 0.000 1.111 527 F CA 1.048 58.910 58.000 -0.231 0.000 1.224 527 F CB -0.220 38.655 39.000 -0.208 0.000 0.991 527 F HN 0.063 nan 8.300 nan 0.000 0.471 528 L N 1.258 122.094 121.223 -0.645 0.000 2.012 528 L HA -0.094 4.246 4.340 -0.001 0.000 0.210 528 L C -0.885 175.725 176.870 -0.433 0.000 1.073 528 L CA 2.217 56.632 54.840 -0.708 0.000 0.748 528 L CB -1.967 39.575 42.059 -0.860 0.000 0.891 528 L HN 0.017 nan 8.230 nan 0.000 0.431 529 P HA -0.189 nan 4.420 nan 0.000 0.216 529 P C 1.494 178.669 177.300 -0.208 0.000 1.153 529 P CA 1.515 64.515 63.100 -0.167 0.000 0.848 529 P CB -0.061 31.577 31.700 -0.104 0.000 0.787 530 K N -0.372 119.871 120.400 -0.262 0.000 2.057 530 K HA -0.166 4.153 4.320 -0.001 0.000 0.207 530 K C 1.932 178.334 176.600 -0.331 0.000 1.049 530 K CA 1.138 57.274 56.287 -0.251 0.000 0.931 530 K CB -0.752 31.610 32.500 -0.230 0.000 0.714 530 K HN -0.058 nan 8.250 nan 0.000 0.440 531 L N 1.501 122.396 121.223 -0.546 0.000 2.017 531 L HA -0.118 4.221 4.340 -0.001 0.000 0.208 531 L C 1.835 178.538 176.870 -0.278 0.000 1.073 531 L CA 1.641 56.179 54.840 -0.502 0.000 0.745 531 L CB -0.583 41.026 42.059 -0.749 0.000 0.894 531 L HN 0.242 nan 8.230 nan 0.000 0.432 532 L N -0.259 120.820 121.223 -0.240 0.000 2.201 532 L HA -0.163 4.176 4.340 -0.001 0.000 0.212 532 L C 2.238 179.044 176.870 -0.107 0.000 1.105 532 L CA 1.351 56.103 54.840 -0.147 0.000 0.775 532 L CB -0.680 41.312 42.059 -0.111 0.000 0.913 532 L HN 0.424 nan 8.230 nan 0.000 0.440 533 N N 0.162 118.794 118.700 -0.114 0.000 2.331 533 N HA -0.095 4.645 4.740 -0.001 0.000 0.180 533 N C 1.659 177.124 175.510 -0.075 0.000 1.019 533 N CA 1.115 54.117 53.050 -0.081 0.000 0.881 533 N CB 0.136 38.577 38.487 -0.077 0.000 0.972 533 N HN 0.261 nan 8.380 nan 0.000 0.435 534 A N -0.881 121.881 122.820 -0.097 0.000 2.030 534 A HA 0.132 4.452 4.320 -0.001 0.000 0.215 534 A C 1.153 178.699 177.584 -0.063 0.000 1.164 534 A CA 1.000 52.992 52.037 -0.076 0.000 0.697 534 A CB -0.559 18.389 19.000 -0.087 0.000 0.827 534 A HN 0.445 nan 8.150 nan 0.000 0.457 535 T N 0.000 114.509 114.554 -0.074 0.000 3.816 535 T HA 0.000 4.350 4.350 -0.001 0.000 0.228 535 T CA 0.000 62.066 62.100 -0.057 0.000 1.349 535 T CB 0.000 68.829 68.868 -0.064 0.000 0.612 535 T HN 0.000 nan 8.240 nan 0.000 0.658