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 2oan_1_A DATA FIRST_RESID 6 DATA SEQUENCE AALVVDNGSG MCKAGFAGDD APRAVFPSIV GRPRXXXXXX XXXXKDSYVG DATA SEQUENCE DEAQSKRGIL TLKYPIEHGI VTNWDDMEKI WHHTFYNELR VAPEEHPVLL DATA SEQUENCE TEAPLNPKAN REKMTQIMFE TFNTPAMYVA IQAVLSLYAS GRTTGIVMDS DATA SEQUENCE GDGVTHTVPI YEGYALPHAI LRLDLAGRDL TDYLMKILTE RGYSFTTTAE DATA SEQUENCE REIVRDIKEK LCYVALDFEQ EMATAASSSS LEKSYELPDG QVITIGNERF DATA SEQUENCE RCPEALFQPS FLGMESXGIH ETTFNSIMKC DVDIRKDLYA NTVLSGGTTM DATA SEQUENCE YPGIADRMQK EITALAPSTM KIKIIAPPER KYSVWIGGSI LASLSTFQQM DATA SEQUENCE WISKQEYDES GPSIVH 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 6 A HA 0.000 nan 4.320 nan 0.000 0.244 6 A C 0.000 177.766 177.584 0.303 0.000 1.274 6 A CA 0.000 52.149 52.037 0.187 0.000 0.836 6 A CB 0.000 19.124 19.000 0.206 0.000 0.831 7 A N 1.160 124.103 122.820 0.205 0.000 2.340 7 A HA 0.775 5.096 4.320 0.001 0.000 0.268 7 A C 0.054 177.753 177.584 0.192 0.000 1.100 7 A CA -0.191 51.942 52.037 0.160 0.000 0.803 7 A CB 0.288 19.425 19.000 0.227 0.000 1.043 7 A HN 0.883 nan 8.150 nan 0.000 0.488 8 L N 1.594 122.881 121.223 0.106 0.000 2.357 8 L HA 0.541 4.882 4.340 0.001 0.000 0.273 8 L C -0.670 176.253 176.870 0.088 0.000 1.080 8 L CA -0.704 54.165 54.840 0.049 0.000 0.803 8 L CB 1.550 43.599 42.059 -0.016 0.000 1.174 8 L HN 0.380 nan 8.230 nan 0.000 0.443 9 V N 3.476 123.427 119.914 0.062 0.000 2.409 9 V HA 0.345 4.466 4.120 0.001 0.000 0.290 9 V C -0.365 175.827 176.094 0.162 0.000 1.017 9 V CA -0.538 61.754 62.300 -0.013 0.000 0.841 9 V CB 1.982 33.542 31.823 -0.438 0.000 1.003 9 V HN 0.422 nan 8.190 nan 0.000 0.426 10 V N 3.592 123.584 119.914 0.130 0.000 2.326 10 V HA 0.386 4.507 4.120 0.001 0.000 0.281 10 V C -0.485 175.722 176.094 0.188 0.000 1.015 10 V CA -0.467 61.940 62.300 0.178 0.000 0.823 10 V CB 1.791 33.681 31.823 0.112 0.000 1.009 10 V HN 0.887 nan 8.190 nan 0.000 0.436 11 D N 4.716 125.261 120.400 0.242 0.000 2.479 11 D HA 0.172 4.813 4.640 0.001 0.000 0.218 11 D C 0.094 176.472 176.300 0.130 0.000 1.131 11 D CA -0.290 53.830 54.000 0.200 0.000 0.916 11 D CB 0.337 41.306 40.800 0.282 0.000 1.022 11 D HN 0.441 nan 8.370 nan 0.000 0.515 12 N N 2.309 121.099 118.700 0.150 0.000 2.483 12 N HA 0.404 5.145 4.740 0.001 0.000 0.264 12 N C 0.264 175.803 175.510 0.048 0.000 1.197 12 N CA 0.097 53.207 53.050 0.100 0.000 0.927 12 N CB 1.601 40.200 38.487 0.186 0.000 1.065 12 N HN 0.450 nan 8.380 nan 0.000 0.461 13 G N -0.368 108.425 108.800 -0.011 0.000 2.619 13 G HA2 0.289 4.250 3.960 0.001 0.000 0.296 13 G HA3 0.289 4.250 3.960 0.001 0.000 0.296 13 G C 0.430 175.323 174.900 -0.013 0.000 1.334 13 G CA -0.543 44.558 45.100 0.002 0.000 0.934 13 G HN 0.361 nan 8.290 nan 0.000 0.476 14 S N 0.185 115.890 115.700 0.009 0.000 2.383 14 S HA -0.100 4.371 4.470 0.001 0.000 0.229 14 S C 2.207 176.847 174.600 0.067 0.000 1.030 14 S CA 1.824 60.031 58.200 0.013 0.000 1.002 14 S CB -0.055 63.135 63.200 -0.017 0.000 0.829 14 S HN 0.894 nan 8.310 nan 0.000 0.467 15 G N -0.176 108.651 108.800 0.044 0.000 2.641 15 G HA2 0.363 4.324 3.960 0.001 0.000 0.207 15 G HA3 0.363 4.324 3.960 0.001 0.000 0.207 15 G C 0.289 175.193 174.900 0.006 0.000 1.137 15 G CA -0.051 45.096 45.100 0.078 0.000 0.824 15 G HN 0.244 nan 8.290 nan 0.000 0.547 16 M N 0.174 119.743 119.600 -0.052 0.000 2.501 16 M HA 0.407 4.888 4.480 0.001 0.000 0.293 16 M C -1.487 174.680 176.300 -0.221 0.000 1.192 16 M CA -0.595 54.620 55.300 -0.142 0.000 0.886 16 M CB 1.844 34.392 32.600 -0.087 0.000 1.710 16 M HN -0.067 nan 8.290 nan 0.000 0.457 17 C N 1.870 120.877 119.300 -0.488 0.000 2.376 17 C HA 0.690 5.150 4.460 0.001 0.000 0.335 17 C C 0.062 174.752 174.990 -0.499 0.000 1.229 17 C CA -0.790 57.925 59.018 -0.505 0.000 1.867 17 C CB 1.181 28.476 27.740 -0.742 0.000 2.319 17 C HN 0.698 nan 8.230 nan 0.000 0.515 18 K N 1.733 122.007 120.400 -0.210 0.000 2.323 18 K HA 0.768 5.088 4.320 0.001 0.000 0.259 18 K C -0.580 175.982 176.600 -0.064 0.000 0.947 18 K CA 0.147 56.311 56.287 -0.206 0.000 0.819 18 K CB 1.575 33.976 32.500 -0.165 0.000 1.109 18 K HN 0.837 nan 8.250 nan 0.000 0.429 19 A N 1.523 124.255 122.820 -0.146 0.000 2.435 19 A HA 0.948 5.269 4.320 0.001 0.000 0.304 19 A C -0.370 177.146 177.584 -0.113 0.000 1.064 19 A CA -0.195 51.861 52.037 0.031 0.000 0.727 19 A CB 1.708 20.735 19.000 0.045 0.000 1.284 19 A HN 0.726 nan 8.150 nan 0.000 0.415 20 G N -0.463 108.380 108.800 0.071 0.000 2.428 20 G HA2 0.548 4.509 3.960 0.001 0.000 0.305 20 G HA3 0.548 4.509 3.960 0.001 0.000 0.305 20 G C -1.788 173.034 174.900 -0.129 0.000 1.260 20 G CA -0.602 44.425 45.100 -0.121 0.000 0.853 20 G HN 0.645 nan 8.290 nan 0.000 0.480 21 F N 1.325 121.499 119.950 0.374 0.000 2.458 21 F HA 0.710 5.238 4.527 0.001 0.000 0.336 21 F C 0.904 176.827 175.800 0.205 0.000 1.114 21 F CA -0.408 57.717 58.000 0.209 0.000 0.987 21 F CB 2.003 41.077 39.000 0.122 0.000 1.130 21 F HN 0.679 nan 8.300 nan 0.000 0.458 22 A N 1.860 124.825 122.820 0.242 0.000 2.565 22 A HA 0.408 4.729 4.320 0.001 0.000 0.237 22 A C 1.301 178.978 177.584 0.155 0.000 1.053 22 A CA 0.969 53.065 52.037 0.098 0.000 0.755 22 A CB -0.735 18.328 19.000 0.106 0.000 0.980 22 A HN 1.670 nan 8.150 nan 0.000 0.506 23 G N 1.881 110.743 108.800 0.105 0.000 2.254 23 G HA2 -0.178 3.783 3.960 0.001 0.000 0.225 23 G HA3 -0.178 3.783 3.960 0.001 0.000 0.225 23 G C -0.001 174.994 174.900 0.158 0.000 1.003 23 G CA 0.301 45.471 45.100 0.116 0.000 0.622 23 G HN 0.819 nan 8.290 nan 0.000 0.507 24 D N 0.866 121.423 120.400 0.262 0.000 2.339 24 D HA 0.454 5.094 4.640 0.001 0.000 0.245 24 D C 0.956 177.444 176.300 0.314 0.000 1.115 24 D CA -0.479 53.693 54.000 0.287 0.000 0.917 24 D CB 0.732 41.751 40.800 0.364 0.000 1.192 24 D HN 0.020 nan 8.370 nan 0.000 0.428 25 D N -0.222 120.299 120.400 0.203 0.000 2.310 25 D HA 0.117 4.758 4.640 0.001 0.000 0.212 25 D C 0.059 176.478 176.300 0.197 0.000 0.965 25 D CA 0.758 54.864 54.000 0.176 0.000 0.879 25 D CB 0.248 41.105 40.800 0.095 0.000 0.921 25 D HN 0.384 nan 8.370 nan 0.000 0.510 26 A N -0.160 122.715 122.820 0.092 0.000 2.604 26 A HA 0.524 4.844 4.320 0.001 0.000 0.295 26 A C -2.776 174.213 177.584 -0.991 0.000 1.067 26 A CA -1.224 50.610 52.037 -0.338 0.000 0.683 26 A CB 1.376 20.218 19.000 -0.263 0.000 1.281 26 A HN -0.222 nan 8.150 nan 0.000 0.407 27 P HA 0.233 nan 4.420 nan 0.000 0.271 27 P C 0.139 176.996 177.300 -0.739 0.000 1.216 27 P CA -0.048 62.041 63.100 -1.686 0.000 0.776 27 P CB 1.062 31.714 31.700 -1.747 0.000 0.881 28 R N 2.135 122.364 120.500 -0.453 0.000 2.153 28 R HA 0.200 4.541 4.340 0.001 0.000 0.218 28 R C 0.477 176.667 176.300 -0.183 0.000 1.072 28 R CA 1.013 56.987 56.100 -0.209 0.000 0.990 28 R CB -0.359 29.896 30.300 -0.075 0.000 0.889 28 R HN 0.655 nan 8.270 nan 0.000 0.452 29 A N -0.631 122.061 122.820 -0.214 0.000 2.422 29 A HA 0.651 4.972 4.320 0.001 0.000 0.302 29 A C -1.539 175.990 177.584 -0.091 0.000 1.041 29 A CA -0.654 51.342 52.037 -0.068 0.000 0.708 29 A CB 2.010 21.041 19.000 0.053 0.000 1.257 29 A HN -0.048 nan 8.150 nan 0.000 0.414 30 V N 2.847 122.747 119.914 -0.024 0.000 2.569 30 V HA 0.717 4.838 4.120 0.001 0.000 0.301 30 V C -1.153 174.974 176.094 0.055 0.000 1.044 30 V CA -0.371 61.869 62.300 -0.099 0.000 0.874 30 V CB 0.932 32.693 31.823 -0.104 0.000 1.002 30 V HN 1.011 nan 8.190 nan 0.000 0.424 31 F N 3.666 123.607 119.950 -0.014 0.000 2.619 31 F HA 0.890 5.418 4.527 0.002 0.000 0.308 31 F C -3.174 172.609 175.800 -0.028 0.000 1.097 31 F CA -3.216 54.780 58.000 -0.006 0.000 0.953 31 F CB 1.492 40.511 39.000 0.033 0.000 1.287 31 F HN 0.232 nan 8.300 nan 0.000 0.446 32 P HA 0.090 nan 4.420 nan 0.000 0.265 32 P C -0.283 177.002 177.300 -0.025 0.000 1.193 32 P CA 0.057 63.156 63.100 -0.003 0.000 0.765 32 P CB 0.791 32.484 31.700 -0.011 0.000 0.823 33 S N 3.267 118.881 115.700 -0.144 0.000 4.085 33 S HA 0.183 4.653 4.470 0.001 0.000 0.189 33 S C 0.476 174.870 174.600 -0.344 0.000 1.392 33 S CA 0.118 58.213 58.200 -0.175 0.000 0.972 33 S CB -1.279 61.831 63.200 -0.150 0.000 1.482 33 S HN 0.318 nan 8.310 nan 0.000 0.446 34 I N 1.141 121.526 120.570 -0.307 0.000 2.608 34 I HA 0.446 4.617 4.170 0.001 0.000 0.295 34 I C -0.741 175.234 176.117 -0.235 0.000 1.049 34 I CA -0.914 60.132 61.300 -0.422 0.000 1.063 34 I CB 2.270 40.004 38.000 -0.445 0.000 1.248 34 I HN -0.035 nan 8.210 nan 0.000 0.424 35 V N 4.115 123.911 119.914 -0.197 0.000 2.443 35 V HA 0.619 4.740 4.120 0.001 0.000 0.293 35 V C 0.287 176.341 176.094 -0.066 0.000 1.021 35 V CA -0.566 61.664 62.300 -0.118 0.000 0.848 35 V CB 1.451 33.212 31.823 -0.104 0.000 0.998 35 V HN 0.883 nan 8.190 nan 0.000 0.424 36 G N 3.899 112.690 108.800 -0.014 0.000 2.371 36 G HA2 0.751 4.711 3.960 0.001 0.000 0.326 36 G HA3 0.751 4.711 3.960 0.001 0.000 0.326 36 G C -0.666 174.279 174.900 0.076 0.000 1.127 36 G CA -0.734 44.388 45.100 0.035 0.000 0.885 36 G HN 0.619 nan 8.290 nan 0.000 0.477 37 R N 2.296 122.831 120.500 0.058 0.000 2.538 37 R HA 0.395 4.736 4.340 0.001 0.000 0.292 37 R C -2.558 173.778 176.300 0.059 0.000 1.008 37 R CA -1.457 54.673 56.100 0.050 0.000 0.896 37 R CB 3.209 33.516 30.300 0.012 0.000 1.187 37 R HN 0.422 nan 8.270 nan 0.000 0.440 38 P HA 0.296 nan 4.420 nan 0.000 0.276 38 P C -0.638 176.685 177.300 0.038 0.000 1.261 38 P CA -0.330 62.812 63.100 0.068 0.000 0.800 38 P CB 0.814 32.574 31.700 0.100 0.000 1.066 51 D N -0.134 120.102 120.400 -0.273 0.000 2.510 51 D HA 0.114 4.755 4.640 0.001 0.000 0.234 51 D C -0.516 175.661 176.300 -0.204 0.000 1.178 51 D CA -0.063 53.832 54.000 -0.174 0.000 0.816 51 D CB 0.851 41.593 40.800 -0.097 0.000 1.143 51 D HN 0.338 nan 8.370 nan 0.000 0.526 52 S N -0.793 114.691 115.700 -0.359 0.000 2.540 52 S HA 0.681 5.152 4.470 0.001 0.000 0.275 52 S C -1.500 172.818 174.600 -0.469 0.000 1.123 52 S CA -0.862 57.170 58.200 -0.280 0.000 0.907 52 S CB 1.259 64.367 63.200 -0.153 0.000 1.081 52 S HN 0.080 nan 8.310 nan 0.000 0.476 53 Y N 0.499 120.761 120.300 -0.065 0.000 2.499 53 Y HA 0.737 5.288 4.550 0.001 0.000 0.347 53 Y C -0.285 175.511 175.900 -0.174 0.000 0.987 53 Y CA -1.027 57.018 58.100 -0.092 0.000 1.044 53 Y CB 2.214 40.630 38.460 -0.074 0.000 1.245 53 Y HN 0.651 nan 8.280 nan 0.000 0.461 54 V N 1.725 121.539 119.914 -0.167 0.000 2.735 54 V HA 0.821 4.942 4.120 0.001 0.000 0.310 54 V C 0.441 176.230 176.094 -0.509 0.000 1.061 54 V CA -0.165 61.886 62.300 -0.415 0.000 0.913 54 V CB 1.168 32.600 31.823 -0.652 0.000 1.005 54 V HN 1.106 nan 8.190 nan 0.000 0.428 55 G N 3.397 112.036 108.800 -0.268 0.000 2.527 55 G HA2 -0.243 3.718 3.960 0.001 0.000 0.268 55 G HA3 -0.243 3.718 3.960 0.001 0.000 0.268 55 G C 0.518 175.386 174.900 -0.053 0.000 1.175 55 G CA 0.525 45.572 45.100 -0.089 0.000 0.962 55 G HN 0.640 nan 8.290 nan 0.000 0.560 56 D N 0.970 121.373 120.400 0.005 0.000 2.178 56 D HA -0.056 4.585 4.640 0.001 0.000 0.201 56 D C 2.273 178.558 176.300 -0.026 0.000 0.980 56 D CA 1.585 55.589 54.000 0.007 0.000 0.842 56 D CB -0.128 40.695 40.800 0.038 0.000 0.948 56 D HN 0.700 nan 8.370 nan 0.000 0.472 57 E N 0.814 120.995 120.200 -0.032 0.000 2.110 57 E HA -0.135 4.216 4.350 0.001 0.000 0.193 57 E C 2.129 178.658 176.600 -0.118 0.000 0.988 57 E CA 0.928 57.297 56.400 -0.051 0.000 0.804 57 E CB -0.004 29.718 29.700 0.037 0.000 0.745 57 E HN 0.190 nan 8.360 nan 0.000 0.458 58 A N 0.953 123.727 122.820 -0.078 0.000 1.929 58 A HA -0.176 4.145 4.320 0.001 0.000 0.216 58 A C 1.989 179.522 177.584 -0.084 0.000 1.176 58 A CA 1.042 53.036 52.037 -0.072 0.000 0.628 58 A CB -0.216 18.753 19.000 -0.052 0.000 0.816 58 A HN 0.131 nan 8.150 nan 0.000 0.444 59 Q N -0.091 119.668 119.800 -0.068 0.000 2.435 59 Q HA -0.056 4.285 4.340 0.001 0.000 0.207 59 Q C 1.824 177.797 176.000 -0.044 0.000 0.956 59 Q CA 1.182 56.959 55.803 -0.044 0.000 0.917 59 Q CB 0.014 28.737 28.738 -0.025 0.000 0.997 59 Q HN 0.810 nan 8.270 nan 0.000 0.497 60 S N -1.240 114.420 115.700 -0.067 0.000 2.540 60 S HA 0.164 4.635 4.470 0.001 0.000 0.218 60 S C 0.940 175.480 174.600 -0.100 0.000 0.977 60 S CA -0.267 57.893 58.200 -0.067 0.000 0.918 60 S CB 0.384 63.549 63.200 -0.059 0.000 0.806 60 S HN 0.056 nan 8.310 nan 0.000 0.496 61 K N 1.286 121.602 120.400 -0.139 0.000 2.726 61 K HA 0.328 4.649 4.320 0.001 0.000 0.209 61 K C 1.586 178.126 176.600 -0.100 0.000 1.082 61 K CA -0.355 55.834 56.287 -0.164 0.000 1.081 61 K CB 0.272 32.574 32.500 -0.330 0.000 0.830 61 K HN 0.236 nan 8.250 nan 0.000 0.470 62 R N 0.501 120.963 120.500 -0.063 0.000 2.117 62 R HA -0.141 4.200 4.340 0.001 0.000 0.243 62 R C 1.409 177.697 176.300 -0.019 0.000 1.143 62 R CA 2.070 58.151 56.100 -0.031 0.000 0.968 62 R CB -0.243 30.048 30.300 -0.015 0.000 0.863 62 R HN 0.330 nan 8.270 nan 0.000 0.444 63 G N 0.736 109.522 108.800 -0.023 0.000 2.920 63 G HA2 0.038 3.999 3.960 0.001 0.000 0.208 63 G HA3 0.038 3.999 3.960 0.001 0.000 0.208 63 G C 1.234 176.127 174.900 -0.011 0.000 1.159 63 G CA 0.386 45.478 45.100 -0.013 0.000 0.784 63 G HN 0.550 nan 8.290 nan 0.000 0.535 64 I N -2.972 117.588 120.570 -0.018 0.000 4.102 64 I HA 0.521 4.691 4.170 0.001 0.000 0.325 64 I C -0.443 175.680 176.117 0.009 0.000 1.471 64 I CA -0.382 60.914 61.300 -0.006 0.000 1.133 64 I CB 0.378 38.371 38.000 -0.011 0.000 1.184 64 I HN -0.215 nan 8.210 nan 0.000 0.451 65 L N 0.582 121.809 121.223 0.007 0.000 2.354 65 L HA 0.581 4.922 4.340 0.001 0.000 0.264 65 L C -0.369 176.513 176.870 0.021 0.000 1.008 65 L CA -0.756 54.101 54.840 0.027 0.000 0.819 65 L CB 2.259 44.339 42.059 0.035 0.000 1.339 65 L HN -0.074 nan 8.230 nan 0.000 0.420 66 T N 3.398 117.967 114.554 0.025 0.000 2.728 66 T HA 0.417 4.768 4.350 0.001 0.000 0.296 66 T C 0.009 174.721 174.700 0.020 0.000 0.940 66 T CA -0.338 61.775 62.100 0.022 0.000 1.013 66 T CB 0.199 69.078 68.868 0.020 0.000 0.912 66 T HN 0.219 nan 8.240 nan 0.000 0.484 67 L N 3.391 124.630 121.223 0.026 0.000 2.290 67 L HA 0.597 4.938 4.340 0.001 0.000 0.284 67 L C 0.597 177.498 176.870 0.051 0.000 1.078 67 L CA -0.603 54.249 54.840 0.019 0.000 0.815 67 L CB 0.343 42.422 42.059 0.033 0.000 1.162 67 L HN 0.652 nan 8.230 nan 0.000 0.435 68 K N 3.261 123.664 120.400 0.005 0.000 2.378 68 K HA 0.521 4.841 4.320 0.001 0.000 0.252 68 K C -1.498 175.096 176.600 -0.010 0.000 0.931 68 K CA -0.567 55.745 56.287 0.043 0.000 0.794 68 K CB 1.448 33.951 32.500 0.005 0.000 1.181 68 K HN 0.408 nan 8.250 nan 0.000 0.425 69 Y N 3.654 123.907 120.300 -0.079 0.000 2.595 69 Y HA 0.237 4.788 4.550 0.001 0.000 0.336 69 Y C -1.215 174.605 175.900 -0.132 0.000 0.996 69 Y CA -2.157 55.882 58.100 -0.100 0.000 1.260 69 Y CB 1.824 40.222 38.460 -0.104 0.000 1.108 69 Y HN 0.615 nan 8.280 nan 0.000 0.509 70 P HA -0.042 nan 4.420 nan 0.000 0.226 70 P C -0.001 177.188 177.300 -0.185 0.000 1.153 70 P CA 1.145 64.151 63.100 -0.158 0.000 0.777 70 P CB 0.740 32.299 31.700 -0.234 0.000 0.794 71 I N 0.572 121.072 120.570 -0.118 0.000 2.330 71 I HA 0.167 4.337 4.170 0.001 0.000 0.286 71 I C 1.468 177.542 176.117 -0.073 0.000 1.025 71 I CA -0.528 60.708 61.300 -0.108 0.000 1.197 71 I CB 1.449 39.394 38.000 -0.092 0.000 1.358 71 I HN -0.223 nan 8.210 nan 0.000 0.467 72 E N 4.085 124.228 120.200 -0.095 0.000 2.024 72 E HA 0.006 4.357 4.350 0.001 0.000 0.190 72 E C 0.389 176.799 176.600 -0.316 0.000 0.974 72 E CA 1.257 57.555 56.400 -0.170 0.000 0.810 72 E CB 0.306 29.957 29.700 -0.080 0.000 0.775 72 E HN 0.551 nan 8.360 nan 0.000 0.453 73 H N -1.361 117.702 119.070 -0.011 0.000 2.716 73 H HA 0.261 4.818 4.556 0.001 0.000 0.230 73 H C 0.541 175.896 175.328 0.044 0.000 1.401 73 H CA 0.509 56.555 56.048 -0.004 0.000 1.168 73 H CB 0.923 30.673 29.762 -0.020 0.000 1.935 73 H HN 0.438 nan 8.280 nan 0.000 0.538 74 G N 0.656 109.520 108.800 0.107 0.000 2.253 74 G HA2 -0.315 3.646 3.960 0.001 0.000 0.251 74 G HA3 -0.315 3.646 3.960 0.001 0.000 0.251 74 G C 0.357 175.306 174.900 0.083 0.000 0.998 74 G CA 0.287 45.456 45.100 0.115 0.000 0.621 74 G HN 0.262 nan 8.290 nan 0.000 0.524 75 I N 1.721 122.335 120.570 0.072 0.000 2.353 75 I HA 0.568 4.738 4.170 0.001 0.000 0.293 75 I C 1.148 177.224 176.117 -0.069 0.000 0.992 75 I CA -1.098 60.222 61.300 0.034 0.000 1.268 75 I CB 1.371 39.412 38.000 0.068 0.000 1.387 75 I HN 0.262 nan 8.210 nan 0.000 0.478 76 V N 5.528 125.341 119.914 -0.167 0.000 2.529 76 V HA 0.108 4.229 4.120 0.001 0.000 0.292 76 V C 1.410 177.244 176.094 -0.433 0.000 1.028 76 V CA 0.983 63.019 62.300 -0.441 0.000 1.074 76 V CB 0.951 32.233 31.823 -0.901 0.000 0.958 76 V HN 1.102 nan 8.190 nan 0.000 0.481 77 T N -0.119 114.208 114.554 -0.378 0.000 3.003 77 T HA 0.182 4.532 4.350 0.001 0.000 0.261 77 T C 0.471 175.009 174.700 -0.270 0.000 1.003 77 T CA -0.198 61.755 62.100 -0.245 0.000 0.917 77 T CB 0.073 68.875 68.868 -0.111 0.000 1.084 77 T HN 0.482 nan 8.240 nan 0.000 0.522 78 N N -0.300 118.162 118.700 -0.398 0.000 2.549 78 N HA 0.272 5.013 4.740 0.001 0.000 0.281 78 N C -0.756 174.559 175.510 -0.324 0.000 1.084 78 N CA -0.746 52.148 53.050 -0.259 0.000 0.862 78 N CB 1.062 39.463 38.487 -0.144 0.000 1.333 78 N HN 0.254 nan 8.380 nan 0.000 0.523 79 W N 1.736 123.035 121.300 -0.002 0.000 2.476 79 W HA 0.050 4.711 4.660 0.001 0.000 0.281 79 W C 1.522 178.042 176.519 0.001 0.000 1.230 79 W CA 0.018 57.367 57.345 0.007 0.000 1.287 79 W CB 0.312 29.805 29.460 0.055 0.000 1.108 79 W HN 0.515 nan 8.180 nan 0.000 0.567 80 D N 0.520 121.029 120.400 0.181 0.000 2.106 80 D HA -0.210 4.431 4.640 0.001 0.000 0.191 80 D C 1.616 177.940 176.300 0.040 0.000 0.997 80 D CA 1.842 55.901 54.000 0.099 0.000 0.834 80 D CB -0.286 40.547 40.800 0.056 0.000 0.956 80 D HN -0.018 nan 8.370 nan 0.000 0.448 81 D N -0.746 119.639 120.400 -0.025 0.000 2.149 81 D HA -0.106 4.535 4.640 0.001 0.000 0.201 81 D C 1.919 178.135 176.300 -0.141 0.000 0.972 81 D CA 0.473 54.426 54.000 -0.079 0.000 0.835 81 D CB -0.239 40.497 40.800 -0.106 0.000 0.966 81 D HN 0.151 nan 8.370 nan 0.000 0.476 82 M N 1.033 120.498 119.600 -0.226 0.000 2.159 82 M HA -0.119 4.362 4.480 0.001 0.000 0.263 82 M C 1.801 177.883 176.300 -0.363 0.000 1.063 82 M CA 1.344 56.360 55.300 -0.474 0.000 1.110 82 M CB -0.188 32.006 32.600 -0.676 0.000 1.374 82 M HN -0.081 nan 8.290 nan 0.000 0.411 83 E N -0.370 119.862 120.200 0.052 0.000 2.118 83 E HA -0.268 4.083 4.350 0.001 0.000 0.195 83 E C 1.796 178.611 176.600 0.358 0.000 0.992 83 E CA 1.407 58.024 56.400 0.361 0.000 0.804 83 E CB 0.053 29.924 29.700 0.285 0.000 0.741 83 E HN 0.460 nan 8.360 nan 0.000 0.458 84 K N 0.271 120.760 120.400 0.149 0.000 2.097 84 K HA -0.043 4.278 4.320 0.001 0.000 0.205 84 K C 2.083 178.778 176.600 0.158 0.000 1.050 84 K CA 0.970 57.338 56.287 0.135 0.000 0.938 84 K CB -0.052 32.457 32.500 0.014 0.000 0.718 84 K HN 0.168 nan 8.250 nan 0.000 0.442 85 I N -0.668 119.913 120.570 0.018 0.000 2.315 85 I HA -0.251 3.919 4.170 0.001 0.000 0.248 85 I C 1.606 177.787 176.117 0.107 0.000 1.117 85 I CA 0.842 62.152 61.300 0.017 0.000 1.404 85 I CB -0.140 37.785 38.000 -0.125 0.000 1.071 85 I HN 0.330 nan 8.210 nan 0.000 0.419 86 W N 0.237 121.583 121.300 0.076 0.000 2.436 86 W HA -0.118 4.543 4.660 0.001 0.000 0.284 86 W C 2.590 178.859 176.519 -0.417 0.000 1.225 86 W CA 0.873 58.049 57.345 -0.283 0.000 1.271 86 W CB -1.226 28.164 29.460 -0.117 0.000 1.114 86 W HN 0.314 nan 8.180 nan 0.000 0.559 87 H N -0.725 118.551 119.070 0.344 0.000 2.321 87 H HA -0.197 4.360 4.556 0.001 0.000 0.300 87 H C 2.070 177.582 175.328 0.307 0.000 1.087 87 H CA 2.352 58.702 56.048 0.502 0.000 1.319 87 H CB -0.333 29.749 29.762 0.534 0.000 1.379 87 H HN 0.156 nan 8.280 nan 0.000 0.501 88 H N 0.140 119.313 119.070 0.172 0.000 2.353 88 H HA -0.086 4.470 4.556 0.001 0.000 0.300 88 H C 2.082 177.288 175.328 -0.203 0.000 1.090 88 H CA 2.452 58.482 56.048 -0.030 0.000 1.327 88 H CB -0.130 29.537 29.762 -0.157 0.000 1.383 88 H HN 0.238 nan 8.280 nan 0.000 0.508 89 T N 0.412 114.842 114.554 -0.206 0.000 2.622 89 T HA -0.169 4.182 4.350 0.001 0.000 0.266 89 T C 1.611 176.127 174.700 -0.306 0.000 1.047 89 T CA 1.761 63.700 62.100 -0.267 0.000 1.159 89 T CB -0.481 68.251 68.868 -0.227 0.000 0.863 89 T HN 0.179 nan 8.240 nan 0.000 0.422 90 F N 0.215 119.994 119.950 -0.285 0.000 2.060 90 F HA 0.070 4.597 4.527 0.001 0.000 0.295 90 F C 2.184 177.706 175.800 -0.464 0.000 1.120 90 F CA 0.532 58.239 58.000 -0.488 0.000 1.205 90 F CB -1.243 37.259 39.000 -0.831 0.000 0.986 90 F HN 0.203 nan 8.300 nan 0.000 0.470 91 Y N -1.222 119.018 120.300 -0.100 0.000 2.517 91 Y HA 0.006 4.557 4.550 0.002 0.000 0.281 91 Y C 2.244 178.044 175.900 -0.166 0.000 1.125 91 Y CA 0.708 58.715 58.100 -0.156 0.000 1.283 91 Y CB -0.337 37.937 38.460 -0.311 0.000 1.042 91 Y HN 0.092 nan 8.280 nan 0.000 0.547 92 N N -0.663 117.949 118.700 -0.147 0.000 2.646 92 N HA -0.060 4.681 4.740 0.001 0.000 0.214 92 N C 1.545 176.853 175.510 -0.337 0.000 1.042 92 N CA 0.679 53.562 53.050 -0.278 0.000 0.925 92 N CB 0.363 38.537 38.487 -0.521 0.000 1.383 92 N HN 0.099 nan 8.380 nan 0.000 0.439 93 E N 1.030 120.954 120.200 -0.460 0.000 2.021 93 E HA 0.053 4.404 4.350 0.001 0.000 0.189 93 E C 1.967 178.476 176.600 -0.151 0.000 0.980 93 E CA 0.683 56.894 56.400 -0.315 0.000 0.803 93 E CB -0.070 29.427 29.700 -0.338 0.000 0.766 93 E HN 0.361 nan 8.360 nan 0.000 0.449 94 L N 0.005 121.145 121.223 -0.140 0.000 2.446 94 L HA 0.166 4.506 4.340 0.001 0.000 0.219 94 L C 0.827 177.703 176.870 0.009 0.000 1.116 94 L CA -0.137 54.651 54.840 -0.087 0.000 0.844 94 L CB 0.006 41.942 42.059 -0.205 0.000 0.970 94 L HN 0.045 nan 8.230 nan 0.000 0.457 95 R N 1.498 121.978 120.500 -0.033 0.000 3.205 95 R HA -0.140 4.201 4.340 0.001 0.000 0.249 95 R C -1.112 175.197 176.300 0.016 0.000 0.937 95 R CA 0.681 56.783 56.100 0.003 0.000 0.641 95 R CB -1.576 28.739 30.300 0.026 0.000 1.114 95 R HN 0.282 nan 8.270 nan 0.000 0.451 96 V N -2.377 117.503 119.914 -0.056 0.000 3.007 96 V HA 0.912 5.032 4.120 0.001 0.000 0.311 96 V C -0.018 175.961 176.094 -0.191 0.000 1.120 96 V CA -0.683 61.572 62.300 -0.076 0.000 0.980 96 V CB 2.357 34.075 31.823 -0.175 0.000 1.033 96 V HN 0.357 nan 8.190 nan 0.000 0.429 97 A N 3.522 126.293 122.820 -0.080 0.000 2.309 97 A HA 0.760 5.081 4.320 0.001 0.000 0.290 97 A C -1.276 176.189 177.584 -0.198 0.000 1.206 97 A CA -1.421 50.536 52.037 -0.132 0.000 0.850 97 A CB 0.511 19.516 19.000 0.009 0.000 1.118 97 A HN 0.820 nan 8.150 nan 0.000 0.523 98 P HA -0.133 nan 4.420 nan 0.000 0.225 98 P C 0.955 178.058 177.300 -0.328 0.000 1.156 98 P CA 0.985 63.667 63.100 -0.696 0.000 0.787 98 P CB 0.235 31.173 31.700 -1.271 0.000 0.802 99 E N 0.684 120.786 120.200 -0.163 0.000 2.418 99 E HA -0.100 4.251 4.350 0.001 0.000 0.197 99 E C 0.882 177.423 176.600 -0.100 0.000 1.026 99 E CA 0.825 57.173 56.400 -0.085 0.000 0.862 99 E CB -0.724 28.970 29.700 -0.011 0.000 0.799 99 E HN 0.175 nan 8.360 nan 0.000 0.518 100 E N 0.187 120.321 120.200 -0.110 0.000 2.472 100 E HA 0.078 4.429 4.350 0.001 0.000 0.196 100 E C -0.085 176.259 176.600 -0.427 0.000 1.033 100 E CA 0.131 56.397 56.400 -0.224 0.000 0.886 100 E CB -0.096 29.470 29.700 -0.224 0.000 0.944 100 E HN 0.480 nan 8.360 nan 0.000 0.492 101 H N -0.722 118.225 119.070 -0.205 0.000 2.679 101 H HA 0.358 4.914 4.556 0.001 0.000 0.360 101 H C -2.720 172.425 175.328 -0.305 0.000 1.105 101 H CA -2.564 53.352 56.048 -0.221 0.000 1.196 101 H CB 1.988 31.644 29.762 -0.177 0.000 1.636 101 H HN 0.051 nan 8.280 nan 0.000 0.531 102 P HA 0.008 nan 4.420 nan 0.000 0.268 102 P C -0.524 176.588 177.300 -0.314 0.000 1.205 102 P CA -0.138 62.616 63.100 -0.577 0.000 0.771 102 P CB 0.792 31.695 31.700 -1.329 0.000 0.858 103 V N 4.734 124.554 119.914 -0.156 0.000 2.444 103 V HA 0.334 4.455 4.120 0.001 0.000 0.294 103 V C -0.033 176.256 176.094 0.326 0.000 1.022 103 V CA -0.628 61.702 62.300 0.051 0.000 0.850 103 V CB 1.572 33.353 31.823 -0.069 0.000 0.992 103 V HN 0.406 nan 8.190 nan 0.000 0.426 104 L N 6.443 127.884 121.223 0.364 0.000 2.272 104 L HA 0.658 4.999 4.340 0.001 0.000 0.289 104 L C -0.955 176.000 176.870 0.141 0.000 1.032 104 L CA -0.095 54.940 54.840 0.324 0.000 0.810 104 L CB 0.906 43.112 42.059 0.245 0.000 1.205 104 L HN 0.549 nan 8.230 nan 0.000 0.422 105 L N 3.855 125.144 121.223 0.109 0.000 2.330 105 L HA 0.651 4.992 4.340 0.001 0.000 0.271 105 L C 0.265 177.181 176.870 0.076 0.000 1.013 105 L CA -0.585 54.296 54.840 0.068 0.000 0.816 105 L CB 2.270 44.331 42.059 0.003 0.000 1.287 105 L HN 0.649 nan 8.230 nan 0.000 0.435 106 T N -1.286 113.329 114.554 0.102 0.000 2.952 106 T HA 0.713 5.064 4.350 0.001 0.000 0.286 106 T C -0.706 174.062 174.700 0.114 0.000 1.024 106 T CA -0.699 61.451 62.100 0.084 0.000 1.029 106 T CB 1.999 70.915 68.868 0.081 0.000 1.094 106 T HN 0.744 nan 8.240 nan 0.000 0.515 107 E N 0.406 120.655 120.200 0.082 0.000 2.383 107 E HA 0.653 5.004 4.350 0.001 0.000 0.275 107 E C -0.793 175.838 176.600 0.051 0.000 0.918 107 E CA -1.588 54.867 56.400 0.092 0.000 0.764 107 E CB 1.617 31.371 29.700 0.089 0.000 1.252 107 E HN 0.870 nan 8.360 nan 0.000 0.449 108 A N 2.144 124.992 122.820 0.048 0.000 2.366 108 A HA 0.462 4.783 4.320 0.001 0.000 0.249 108 A C -2.225 175.298 177.584 -0.102 0.000 1.084 108 A CA -1.129 50.899 52.037 -0.014 0.000 0.794 108 A CB -0.469 18.555 19.000 0.039 0.000 1.034 108 A HN 0.515 nan 8.150 nan 0.000 0.491 109 P HA 0.246 nan 4.420 nan 0.000 0.269 109 P C 0.049 177.214 177.300 -0.225 0.000 1.209 109 P CA 0.199 63.125 63.100 -0.291 0.000 0.776 109 P CB 0.167 31.563 31.700 -0.507 0.000 0.876 110 L N -2.015 119.148 121.223 -0.101 0.000 4.001 110 L HA -0.274 4.067 4.340 0.001 0.000 0.413 110 L C 0.439 177.313 176.870 0.007 0.000 1.185 110 L CA -0.007 54.813 54.840 -0.033 0.000 0.963 110 L CB -1.987 40.060 42.059 -0.019 0.000 1.976 110 L HN 0.495 nan 8.230 nan 0.000 0.939 111 N N 1.725 120.436 118.700 0.018 0.000 2.468 111 N HA 0.273 5.014 4.740 0.001 0.000 0.265 111 N C -2.058 173.500 175.510 0.079 0.000 1.199 111 N CA -1.064 52.026 53.050 0.067 0.000 0.928 111 N CB 0.719 39.258 38.487 0.086 0.000 1.059 111 N HN -0.013 nan 8.380 nan 0.000 0.467 112 P HA 0.125 nan 4.420 nan 0.000 0.268 112 P C 0.649 178.016 177.300 0.112 0.000 1.205 112 P CA -0.063 63.090 63.100 0.089 0.000 0.771 112 P CB 0.440 32.202 31.700 0.103 0.000 0.858 113 K N 2.466 122.908 120.400 0.071 0.000 2.059 113 K HA -0.265 4.056 4.320 0.001 0.000 0.212 113 K C 2.087 178.797 176.600 0.183 0.000 1.050 113 K CA 2.564 58.915 56.287 0.107 0.000 0.927 113 K CB -1.864 30.607 32.500 -0.048 0.000 0.714 113 K HN 0.578 nan 8.250 nan 0.000 0.447 114 A N 1.676 124.576 122.820 0.134 0.000 1.917 114 A HA -0.267 4.054 4.320 0.001 0.000 0.219 114 A C 2.297 179.960 177.584 0.133 0.000 1.182 114 A CA 2.247 54.356 52.037 0.121 0.000 0.633 114 A CB -0.627 18.439 19.000 0.109 0.000 0.819 114 A HN 0.697 nan 8.150 nan 0.000 0.448 115 N N -0.760 118.074 118.700 0.222 0.000 2.106 115 N HA -0.106 4.635 4.740 0.001 0.000 0.188 115 N C 1.833 177.506 175.510 0.272 0.000 1.029 115 N CA 1.381 54.651 53.050 0.366 0.000 0.848 115 N CB -0.402 38.357 38.487 0.453 0.000 1.007 115 N HN 0.528 nan 8.380 nan 0.000 0.423 116 R N 1.072 121.708 120.500 0.228 0.000 2.091 116 R HA -0.106 4.235 4.340 0.001 0.000 0.238 116 R C 1.608 177.978 176.300 0.117 0.000 1.136 116 R CA 1.469 57.682 56.100 0.188 0.000 0.959 116 R CB -0.060 30.356 30.300 0.194 0.000 0.856 116 R HN 0.399 nan 8.270 nan 0.000 0.437 117 E N -0.423 119.837 120.200 0.100 0.000 2.077 117 E HA -0.204 4.146 4.350 0.001 0.000 0.193 117 E C 2.109 178.705 176.600 -0.008 0.000 0.989 117 E CA 1.311 57.739 56.400 0.047 0.000 0.800 117 E CB 0.034 29.771 29.700 0.061 0.000 0.746 117 E HN 0.031 nan 8.360 nan 0.000 0.452 118 K N 0.393 120.709 120.400 -0.140 0.000 2.057 118 K HA -0.113 4.208 4.320 0.001 0.000 0.207 118 K C 2.080 178.506 176.600 -0.289 0.000 1.049 118 K CA 1.327 57.370 56.287 -0.406 0.000 0.931 118 K CB -0.364 31.508 32.500 -1.046 0.000 0.714 118 K HN 0.199 nan 8.250 nan 0.000 0.440 119 M N -0.036 119.511 119.600 -0.089 0.000 2.106 119 M HA -0.190 4.291 4.480 0.001 0.000 0.259 119 M C 2.300 178.597 176.300 -0.004 0.000 1.068 119 M CA 2.393 57.782 55.300 0.148 0.000 1.100 119 M CB -0.657 32.097 32.600 0.257 0.000 1.351 119 M HN 0.314 nan 8.290 nan 0.000 0.404 120 T N -0.490 114.073 114.554 0.015 0.000 2.777 120 T HA -0.214 4.137 4.350 0.001 0.000 0.266 120 T C 1.647 176.359 174.700 0.020 0.000 1.040 120 T CA 1.537 63.657 62.100 0.033 0.000 1.141 120 T CB -0.329 68.655 68.868 0.194 0.000 0.868 120 T HN 0.483 nan 8.240 nan 0.000 0.444 121 Q N 0.675 120.524 119.800 0.081 0.000 2.045 121 Q HA -0.150 4.190 4.340 0.001 0.000 0.206 121 Q C 2.220 178.208 176.000 -0.020 0.000 0.991 121 Q CA 1.773 57.626 55.803 0.082 0.000 0.851 121 Q CB -0.429 28.349 28.738 0.067 0.000 0.911 121 Q HN 0.542 nan 8.270 nan 0.000 0.418 122 I N 0.095 120.657 120.570 -0.013 0.000 2.179 122 I HA -0.300 3.870 4.170 0.001 0.000 0.242 122 I C 2.457 178.553 176.117 -0.035 0.000 1.088 122 I CA 0.886 62.194 61.300 0.014 0.000 1.357 122 I CB -0.302 37.842 38.000 0.240 0.000 1.051 122 I HN 0.372 nan 8.210 nan 0.000 0.409 123 M N -0.132 119.417 119.600 -0.084 0.000 2.080 123 M HA -0.204 4.277 4.480 0.001 0.000 0.260 123 M C 2.419 178.545 176.300 -0.289 0.000 1.068 123 M CA 2.135 57.337 55.300 -0.163 0.000 1.109 123 M CB -1.157 31.157 32.600 -0.478 0.000 1.342 123 M HN 0.152 nan 8.290 nan 0.000 0.405 124 F N 0.323 120.132 119.950 -0.236 0.000 2.234 124 F HA -0.051 4.477 4.527 0.001 0.000 0.296 124 F C 2.465 178.138 175.800 -0.212 0.000 1.089 124 F CA 0.966 58.770 58.000 -0.327 0.000 1.343 124 F CB -0.601 37.917 39.000 -0.803 0.000 1.040 124 F HN 0.264 nan 8.300 nan 0.000 0.498 125 E N -0.914 119.274 120.200 -0.021 0.000 2.190 125 E HA -0.045 4.306 4.350 0.001 0.000 0.191 125 E C 1.833 178.409 176.600 -0.040 0.000 0.978 125 E CA 1.382 57.787 56.400 0.007 0.000 0.839 125 E CB -0.043 29.682 29.700 0.041 0.000 0.787 125 E HN 0.281 nan 8.360 nan 0.000 0.473 126 T N -0.042 114.429 114.554 -0.139 0.000 3.021 126 T HA 0.050 4.401 4.350 0.001 0.000 0.245 126 T C 1.022 175.549 174.700 -0.289 0.000 1.028 126 T CA 0.426 62.354 62.100 -0.287 0.000 1.139 126 T CB 0.024 68.582 68.868 -0.516 0.000 0.884 126 T HN 0.016 nan 8.240 nan 0.000 0.457 127 F N 1.461 121.460 119.950 0.081 0.000 2.695 127 F HA 0.422 4.949 4.527 0.001 0.000 0.303 127 F C 1.113 176.885 175.800 -0.047 0.000 1.091 127 F CA -1.009 57.017 58.000 0.044 0.000 1.300 127 F CB -0.743 38.254 39.000 -0.005 0.000 1.071 127 F HN 0.087 nan 8.300 nan 0.000 0.578 128 N N 1.406 120.168 118.700 0.104 0.000 2.710 128 N HA -0.173 4.567 4.740 0.001 0.000 0.249 128 N C -0.091 175.438 175.510 0.031 0.000 1.059 128 N CA 0.775 53.872 53.050 0.078 0.000 0.720 128 N CB -1.027 37.505 38.487 0.074 0.000 0.983 128 N HN 0.372 nan 8.380 nan 0.000 0.544 129 T N -1.492 113.029 114.554 -0.055 0.000 2.934 129 T HA 0.134 4.484 4.350 0.001 0.000 0.306 129 T C -0.907 173.800 174.700 0.012 0.000 1.042 129 T CA -1.052 60.961 62.100 -0.146 0.000 1.145 129 T CB 1.415 70.076 68.868 -0.345 0.000 0.982 129 T HN 0.033 nan 8.240 nan 0.000 0.544 130 P HA 0.221 nan 4.420 nan 0.000 0.225 130 P C 0.155 177.493 177.300 0.062 0.000 1.156 130 P CA 0.535 63.639 63.100 0.007 0.000 0.787 130 P CB 0.157 31.800 31.700 -0.095 0.000 0.802 131 A N -0.681 122.135 122.820 -0.005 0.000 2.605 131 A HA 0.751 5.072 4.320 0.001 0.000 0.294 131 A C -0.884 176.705 177.584 0.007 0.000 1.062 131 A CA -0.578 51.493 52.037 0.055 0.000 0.682 131 A CB 1.096 19.971 19.000 -0.207 0.000 1.278 131 A HN 0.075 nan 8.150 nan 0.000 0.410 132 M N 0.043 119.818 119.600 0.292 0.000 2.813 132 M HA 0.936 5.417 4.480 0.001 0.000 0.270 132 M C -1.181 175.501 176.300 0.638 0.000 1.267 132 M CA -0.618 54.892 55.300 0.348 0.000 0.822 132 M CB 1.447 33.983 32.600 -0.105 0.000 1.671 132 M HN 1.216 nan 8.290 nan 0.000 0.468 133 Y N -0.713 119.789 120.300 0.337 0.000 2.641 133 Y HA 0.762 5.313 4.550 0.001 0.000 0.333 133 Y C -2.273 173.696 175.900 0.114 0.000 1.174 133 Y CA -0.982 57.232 58.100 0.189 0.000 1.057 133 Y CB 1.913 40.419 38.460 0.076 0.000 1.322 133 Y HN 0.751 nan 8.280 nan 0.000 0.457 134 V N 3.774 123.389 119.914 -0.497 0.000 2.525 134 V HA 0.871 4.992 4.120 0.001 0.000 0.299 134 V C -0.615 175.237 176.094 -0.403 0.000 1.034 134 V CA -0.359 61.775 62.300 -0.277 0.000 0.863 134 V CB 1.182 32.910 31.823 -0.159 0.000 0.999 134 V HN 0.923 nan 8.190 nan 0.000 0.423 135 A N 5.164 127.923 122.820 -0.100 0.000 2.340 135 A HA 0.884 5.205 4.320 0.001 0.000 0.331 135 A C -0.446 177.131 177.584 -0.013 0.000 1.140 135 A CA -0.733 51.289 52.037 -0.024 0.000 0.801 135 A CB 0.822 19.854 19.000 0.053 0.000 1.234 135 A HN 0.804 nan 8.150 nan 0.000 0.469 136 I N 2.264 122.829 120.570 -0.009 0.000 2.587 136 I HA -0.057 4.114 4.170 0.001 0.000 0.284 136 I C 1.495 177.613 176.117 0.001 0.000 1.134 136 I CA 0.178 61.475 61.300 -0.004 0.000 1.410 136 I CB 0.676 38.673 38.000 -0.006 0.000 1.392 136 I HN 0.899 nan 8.210 nan 0.000 0.545 137 Q N 4.776 124.584 119.800 0.013 0.000 2.118 137 Q HA -0.303 4.037 4.340 0.001 0.000 0.211 137 Q C 2.274 178.292 176.000 0.030 0.000 0.998 137 Q CA 2.413 58.235 55.803 0.030 0.000 0.872 137 Q CB -0.205 28.563 28.738 0.050 0.000 0.925 137 Q HN 0.922 nan 8.270 nan 0.000 0.414 138 A N 0.042 122.875 122.820 0.020 0.000 1.902 138 A HA -0.140 4.181 4.320 0.001 0.000 0.217 138 A C 2.332 179.933 177.584 0.027 0.000 1.181 138 A CA 1.454 53.507 52.037 0.028 0.000 0.623 138 A CB -0.672 18.339 19.000 0.018 0.000 0.818 138 A HN 0.235 nan 8.150 nan 0.000 0.443 139 V N 0.314 120.236 119.914 0.013 0.000 2.407 139 V HA -0.260 3.861 4.120 0.001 0.000 0.248 139 V C 2.524 178.626 176.094 0.013 0.000 1.055 139 V CA 1.828 64.131 62.300 0.005 0.000 1.049 139 V CB -0.811 30.999 31.823 -0.021 0.000 0.662 139 V HN 0.558 nan 8.190 nan 0.000 0.455 140 L N -0.419 120.805 121.223 0.002 0.000 2.046 140 L HA -0.152 4.189 4.340 0.001 0.000 0.208 140 L C 2.658 179.568 176.870 0.067 0.000 1.077 140 L CA 1.641 56.488 54.840 0.012 0.000 0.747 140 L CB -0.660 41.386 42.059 -0.023 0.000 0.896 140 L HN 0.306 nan 8.230 nan 0.000 0.432 141 S N 0.115 115.851 115.700 0.060 0.000 2.368 141 S HA -0.185 4.285 4.470 0.001 0.000 0.225 141 S C 1.868 176.505 174.600 0.062 0.000 1.030 141 S CA 1.264 59.502 58.200 0.065 0.000 0.999 141 S CB -0.316 62.920 63.200 0.059 0.000 0.844 141 S HN 0.243 nan 8.310 nan 0.000 0.459 142 L N 0.348 121.611 121.223 0.065 0.000 2.079 142 L HA -0.097 4.244 4.340 0.001 0.000 0.210 142 L C 2.006 178.922 176.870 0.077 0.000 1.081 142 L CA 1.722 56.599 54.840 0.062 0.000 0.752 142 L CB -0.620 41.476 42.059 0.062 0.000 0.896 142 L HN 0.299 nan 8.230 nan 0.000 0.433 143 Y N -0.054 120.219 120.300 -0.046 0.000 2.163 143 Y HA -0.165 4.386 4.550 0.002 0.000 0.288 143 Y C 2.461 178.331 175.900 -0.050 0.000 1.136 143 Y CA 1.380 59.441 58.100 -0.065 0.000 1.147 143 Y CB -0.683 37.716 38.460 -0.102 0.000 0.987 143 Y HN 0.258 nan 8.280 nan 0.000 0.509 144 A N -0.705 122.121 122.820 0.012 0.000 2.032 144 A HA -0.230 4.090 4.320 0.001 0.000 0.221 144 A C 2.301 179.846 177.584 -0.066 0.000 1.165 144 A CA 2.108 54.125 52.037 -0.033 0.000 0.645 144 A CB -1.195 17.827 19.000 0.037 0.000 0.807 144 A HN 0.526 nan 8.150 nan 0.000 0.453 145 S N -1.862 113.807 115.700 -0.053 0.000 2.603 145 S HA 0.373 4.843 4.470 0.001 0.000 0.220 145 S C 1.311 175.856 174.600 -0.091 0.000 0.967 145 S CA 1.043 59.215 58.200 -0.047 0.000 0.920 145 S CB -0.424 62.769 63.200 -0.012 0.000 0.773 145 S HN 1.982 nan 8.310 nan 0.000 0.529 146 G N 1.793 110.483 108.800 -0.184 0.000 2.132 146 G HA2 -0.234 3.727 3.960 0.001 0.000 0.234 146 G HA3 -0.234 3.727 3.960 0.001 0.000 0.234 146 G C -0.002 174.789 174.900 -0.182 0.000 0.989 146 G CA 0.124 45.087 45.100 -0.229 0.000 0.676 146 G HN 0.908 nan 8.290 nan 0.000 0.522 147 R N -1.212 119.211 120.500 -0.130 0.000 2.912 147 R HA 0.807 5.148 4.340 0.001 0.000 0.262 147 R C 0.593 176.902 176.300 0.015 0.000 1.057 147 R CA 0.013 56.080 56.100 -0.055 0.000 0.981 147 R CB 0.853 31.139 30.300 -0.024 0.000 1.201 147 R HN 0.493 nan 8.270 nan 0.000 0.484 148 T N -3.644 110.919 114.554 0.015 0.000 3.043 148 T HA 0.207 4.558 4.350 0.001 0.000 0.272 148 T C -0.059 174.620 174.700 -0.034 0.000 0.990 148 T CA -0.071 62.043 62.100 0.024 0.000 0.897 148 T CB 0.310 69.178 68.868 0.001 0.000 1.111 148 T HN 0.518 nan 8.240 nan 0.000 0.529 149 T N 1.151 115.689 114.554 -0.026 0.000 2.861 149 T HA 0.751 5.102 4.350 0.001 0.000 0.287 149 T C -0.106 174.622 174.700 0.046 0.000 1.003 149 T CA -0.098 62.002 62.100 0.001 0.000 0.977 149 T CB 1.615 70.458 68.868 -0.042 0.000 0.996 149 T HN 0.750 nan 8.240 nan 0.000 0.448 150 G N 1.350 110.193 108.800 0.072 0.000 2.337 150 G HA2 0.387 4.348 3.960 0.001 0.000 0.298 150 G HA3 0.387 4.348 3.960 0.001 0.000 0.298 150 G C -2.124 172.800 174.900 0.039 0.000 1.335 150 G CA -0.885 44.246 45.100 0.053 0.000 0.875 150 G HN 0.848 nan 8.290 nan 0.000 0.579 151 I N 0.376 120.958 120.570 0.021 0.000 2.433 151 I HA 0.687 4.858 4.170 0.001 0.000 0.292 151 I C -0.629 175.501 176.117 0.022 0.000 1.001 151 I CA -1.117 60.187 61.300 0.007 0.000 1.119 151 I CB 1.702 39.685 38.000 -0.028 0.000 1.289 151 I HN 0.362 nan 8.210 nan 0.000 0.438 152 V N 8.330 128.259 119.914 0.025 0.000 2.394 152 V HA 0.379 4.499 4.120 0.001 0.000 0.282 152 V C 0.132 176.247 176.094 0.036 0.000 1.031 152 V CA -0.563 61.758 62.300 0.034 0.000 0.881 152 V CB 1.579 33.425 31.823 0.038 0.000 0.982 152 V HN 0.645 nan 8.190 nan 0.000 0.451 153 M N 5.057 124.680 119.600 0.038 0.000 2.055 153 M HA 0.379 4.860 4.480 0.001 0.000 0.346 153 M C -1.003 175.320 176.300 0.038 0.000 1.074 153 M CA -0.322 54.998 55.300 0.033 0.000 1.009 153 M CB 0.698 33.315 32.600 0.028 0.000 1.423 153 M HN 0.705 nan 8.290 nan 0.000 0.410 154 D N 2.851 123.281 120.400 0.050 0.000 2.392 154 D HA 0.282 4.923 4.640 0.001 0.000 0.228 154 D C -1.347 174.977 176.300 0.040 0.000 1.074 154 D CA 0.218 54.251 54.000 0.055 0.000 0.838 154 D CB 1.134 41.983 40.800 0.082 0.000 1.067 154 D HN 0.416 nan 8.370 nan 0.000 0.511 155 S N 2.408 118.121 115.700 0.022 0.000 2.530 155 S HA 0.738 5.208 4.470 0.001 0.000 0.322 155 S C 0.287 174.893 174.600 0.010 0.000 1.085 155 S CA -0.455 57.749 58.200 0.007 0.000 1.096 155 S CB 0.927 64.130 63.200 0.005 0.000 0.988 155 S HN 0.566 nan 8.310 nan 0.000 0.466 156 G N 2.764 111.570 108.800 0.010 0.000 3.310 156 G HA2 0.239 4.200 3.960 0.001 0.000 0.176 156 G HA3 0.239 4.200 3.960 0.001 0.000 0.176 156 G C 0.194 175.095 174.900 0.001 0.000 1.307 156 G CA -0.029 45.075 45.100 0.007 0.000 0.935 156 G HN 0.618 nan 8.290 nan 0.000 0.628 157 D N -1.745 118.656 120.400 0.001 0.000 2.323 157 D HA 0.160 4.801 4.640 0.001 0.000 0.218 157 D C 2.144 178.434 176.300 -0.017 0.000 0.973 157 D CA 1.296 55.292 54.000 -0.006 0.000 0.890 157 D CB 0.159 40.959 40.800 -0.000 0.000 1.011 157 D HN 0.376 nan 8.370 nan 0.000 0.499 158 G N -0.411 108.382 108.800 -0.012 0.000 2.743 158 G HA2 0.321 4.282 3.960 0.001 0.000 0.206 158 G HA3 0.321 4.282 3.960 0.001 0.000 0.206 158 G C -0.044 174.917 174.900 0.101 0.000 1.115 158 G CA 0.222 45.312 45.100 -0.017 0.000 0.782 158 G HN 0.208 nan 8.290 nan 0.000 0.524 159 V N -0.070 119.869 119.914 0.042 0.000 3.147 159 V HA 0.707 4.828 4.120 0.001 0.000 0.306 159 V C -1.468 174.565 176.094 -0.103 0.000 1.209 159 V CA -0.470 61.810 62.300 -0.034 0.000 1.023 159 V CB 2.438 34.227 31.823 -0.057 0.000 1.059 159 V HN 0.029 nan 8.190 nan 0.000 0.435 160 T N 3.558 117.988 114.554 -0.208 0.000 2.812 160 T HA 0.639 4.990 4.350 0.001 0.000 0.282 160 T C -1.214 173.316 174.700 -0.283 0.000 0.990 160 T CA -0.184 61.815 62.100 -0.168 0.000 0.960 160 T CB 0.773 69.569 68.868 -0.121 0.000 0.948 160 T HN 0.780 nan 8.240 nan 0.000 0.438 161 H N 0.985 120.046 119.070 -0.015 0.000 2.524 161 H HA 0.571 5.128 4.556 0.001 0.000 0.353 161 H C 0.160 175.474 175.328 -0.023 0.000 1.136 161 H CA -0.742 55.295 56.048 -0.019 0.000 1.193 161 H CB 1.384 31.143 29.762 -0.006 0.000 1.558 161 H HN 0.603 nan 8.280 nan 0.000 0.515 162 T N 0.481 115.095 114.554 0.100 0.000 2.758 162 T HA 0.514 4.865 4.350 0.001 0.000 0.285 162 T C -0.616 174.100 174.700 0.026 0.000 0.981 162 T CA -0.850 61.273 62.100 0.038 0.000 0.965 162 T CB 0.508 69.373 68.868 -0.004 0.000 0.927 162 T HN 0.243 nan 8.240 nan 0.000 0.448 163 V N 5.238 125.161 119.914 0.016 0.000 2.340 163 V HA 0.376 4.497 4.120 0.001 0.000 0.277 163 V C -2.599 173.489 176.094 -0.009 0.000 1.017 163 V CA -2.140 60.158 62.300 -0.004 0.000 0.820 163 V CB 1.164 32.987 31.823 0.001 0.000 1.028 163 V HN 0.733 nan 8.190 nan 0.000 0.436 164 P HA 0.380 nan 4.420 nan 0.000 0.271 164 P C -0.636 176.683 177.300 0.031 0.000 1.226 164 P CA 0.209 63.296 63.100 -0.021 0.000 0.765 164 P CB 0.591 32.246 31.700 -0.076 0.000 0.835 165 I N 4.031 124.642 120.570 0.067 0.000 2.465 165 I HA 0.414 4.585 4.170 0.001 0.000 0.291 165 I C -0.758 175.469 176.117 0.184 0.000 1.014 165 I CA -0.875 60.490 61.300 0.108 0.000 1.093 165 I CB 1.657 39.696 38.000 0.065 0.000 1.267 165 I HN 0.270 nan 8.210 nan 0.000 0.431 166 Y N 4.695 125.038 120.300 0.071 0.000 2.346 166 Y HA 0.301 4.852 4.550 0.001 0.000 0.332 166 Y C 0.124 176.084 175.900 0.100 0.000 0.985 166 Y CA -0.986 57.159 58.100 0.076 0.000 1.112 166 Y CB 1.267 39.776 38.460 0.081 0.000 1.170 166 Y HN 0.713 nan 8.280 nan 0.000 0.447 167 E N 4.290 124.221 120.200 -0.449 0.000 2.238 167 E HA -0.282 4.069 4.350 0.001 0.000 0.219 167 E C 1.049 177.513 176.600 -0.227 0.000 1.275 167 E CA 1.088 57.288 56.400 -0.334 0.000 0.714 167 E CB -1.256 28.222 29.700 -0.370 0.000 1.154 167 E HN 1.218 nan 8.360 nan 0.000 0.363 168 G N -1.168 107.506 108.800 -0.211 0.000 2.195 168 G HA2 -0.342 3.619 3.960 0.001 0.000 0.246 168 G HA3 -0.342 3.619 3.960 0.001 0.000 0.246 168 G C -0.310 174.346 174.900 -0.407 0.000 0.984 168 G CA 0.340 45.230 45.100 -0.351 0.000 0.633 168 G HN 0.296 nan 8.290 nan 0.000 0.525 169 Y N 1.108 121.426 120.300 0.029 0.000 2.341 169 Y HA 0.711 5.261 4.550 0.001 0.000 0.338 169 Y C 0.639 176.576 175.900 0.063 0.000 0.965 169 Y CA -0.741 57.389 58.100 0.049 0.000 1.108 169 Y CB 1.782 40.283 38.460 0.068 0.000 1.180 169 Y HN 0.469 nan 8.280 nan 0.000 0.458 170 A N 4.378 127.317 122.820 0.198 0.000 2.440 170 A HA 0.511 4.831 4.320 0.001 0.000 0.251 170 A C -0.554 177.106 177.584 0.126 0.000 1.089 170 A CA -0.444 51.665 52.037 0.120 0.000 0.779 170 A CB -0.082 18.957 19.000 0.066 0.000 1.022 170 A HN 0.821 nan 8.150 nan 0.000 0.492 171 L N 4.425 125.700 121.223 0.087 0.000 2.287 171 L HA 0.275 4.616 4.340 0.001 0.000 0.280 171 L C -1.774 175.103 176.870 0.012 0.000 1.055 171 L CA -1.574 53.323 54.840 0.094 0.000 0.863 171 L CB 1.378 43.483 42.059 0.075 0.000 1.245 171 L HN 0.525 nan 8.230 nan 0.000 0.432 172 P HA -0.166 nan 4.420 nan 0.000 0.219 172 P C 1.458 178.760 177.300 0.004 0.000 1.150 172 P CA 1.078 64.192 63.100 0.022 0.000 0.814 172 P CB -0.076 31.649 31.700 0.041 0.000 0.787 173 H N -0.100 118.959 119.070 -0.018 0.000 2.489 173 H HA 0.059 4.616 4.556 0.001 0.000 0.295 173 H C 1.125 176.436 175.328 -0.028 0.000 1.082 173 H CA 1.649 57.683 56.048 -0.024 0.000 1.295 173 H CB -0.719 29.025 29.762 -0.030 0.000 1.380 173 H HN 0.076 nan 8.280 nan 0.000 0.548 174 A N 1.062 123.467 122.820 -0.692 0.000 2.387 174 A HA 0.324 4.645 4.320 0.001 0.000 0.234 174 A C 0.925 178.368 177.584 -0.235 0.000 1.253 174 A CA -0.516 51.207 52.037 -0.523 0.000 0.894 174 A CB -0.046 18.561 19.000 -0.656 0.000 0.963 174 A HN 0.240 nan 8.150 nan 0.000 0.508 175 I N 1.189 121.669 120.570 -0.151 0.000 2.441 175 I HA 0.241 4.412 4.170 0.001 0.000 0.287 175 I C -0.459 175.645 176.117 -0.022 0.000 1.049 175 I CA 0.078 61.340 61.300 -0.063 0.000 1.381 175 I CB 1.141 39.116 38.000 -0.042 0.000 1.409 175 I HN 0.138 nan 8.210 nan 0.000 0.523 176 L N 6.584 127.813 121.223 0.009 0.000 2.342 176 L HA 0.601 4.942 4.340 0.001 0.000 0.271 176 L C -0.177 176.737 176.870 0.074 0.000 1.008 176 L CA -0.764 54.085 54.840 0.016 0.000 0.818 176 L CB 1.973 44.014 42.059 -0.031 0.000 1.296 176 L HN 0.550 nan 8.230 nan 0.000 0.427 177 R N 2.305 122.815 120.500 0.017 0.000 2.494 177 R HA 0.679 5.019 4.340 0.001 0.000 0.305 177 R C -1.809 174.389 176.300 -0.170 0.000 0.959 177 R CA -0.663 55.371 56.100 -0.111 0.000 0.864 177 R CB 1.507 31.783 30.300 -0.041 0.000 1.159 177 R HN 0.442 nan 8.270 nan 0.000 0.446 178 L N 4.080 125.155 121.223 -0.246 0.000 2.377 178 L HA 0.335 4.676 4.340 0.001 0.000 0.270 178 L C -1.064 175.683 176.870 -0.206 0.000 0.991 178 L CA -0.260 54.465 54.840 -0.191 0.000 0.851 178 L CB 1.835 43.797 42.059 -0.161 0.000 1.218 178 L HN 0.697 nan 8.230 nan 0.000 0.420 179 D N 4.618 124.896 120.400 -0.203 0.000 2.977 179 D HA 0.159 4.800 4.640 0.001 0.000 0.241 179 D C -0.408 175.835 176.300 -0.095 0.000 1.206 179 D CA 0.689 54.570 54.000 -0.198 0.000 0.902 179 D CB -0.210 40.381 40.800 -0.350 0.000 1.131 179 D HN 0.269 nan 8.370 nan 0.000 0.447 180 L N 0.170 121.338 121.223 -0.091 0.000 2.404 180 L HA 0.686 5.027 4.340 0.001 0.000 0.272 180 L C -0.902 175.934 176.870 -0.057 0.000 0.980 180 L CA -0.321 54.475 54.840 -0.072 0.000 0.836 180 L CB 1.084 43.081 42.059 -0.104 0.000 1.238 180 L HN 0.106 nan 8.230 nan 0.000 0.408 181 A N 3.125 125.930 122.820 -0.024 0.000 3.613 181 A HA 0.673 4.994 4.320 0.001 0.000 0.276 181 A C 0.875 178.469 177.584 0.017 0.000 1.115 181 A CA 0.210 52.243 52.037 -0.007 0.000 0.652 181 A CB 0.003 19.000 19.000 -0.005 0.000 1.498 181 A HN 0.714 nan 8.150 nan 0.000 0.710 182 G N -0.223 108.592 108.800 0.025 0.000 2.491 182 G HA2 -0.241 3.720 3.960 0.001 0.000 0.218 182 G HA3 -0.241 3.720 3.960 0.001 0.000 0.218 182 G C 1.470 176.385 174.900 0.024 0.000 1.180 182 G CA 1.787 46.909 45.100 0.038 0.000 0.774 182 G HN 0.778 nan 8.290 nan 0.000 0.562 183 R N 0.929 121.427 120.500 -0.003 0.000 2.103 183 R HA -0.102 4.239 4.340 0.001 0.000 0.242 183 R C 2.168 178.466 176.300 -0.005 0.000 1.142 183 R CA 2.153 58.239 56.100 -0.022 0.000 0.960 183 R CB -0.541 29.718 30.300 -0.067 0.000 0.858 183 R HN 0.376 nan 8.270 nan 0.000 0.439 184 D N -0.108 120.294 120.400 0.003 0.000 2.144 184 D HA -0.139 4.502 4.640 0.001 0.000 0.200 184 D C 1.882 178.216 176.300 0.057 0.000 0.978 184 D CA 1.331 55.339 54.000 0.013 0.000 0.833 184 D CB 0.019 40.813 40.800 -0.011 0.000 0.961 184 D HN 0.326 nan 8.370 nan 0.000 0.470 185 L N 0.741 122.005 121.223 0.068 0.000 2.109 185 L HA -0.091 4.250 4.340 0.001 0.000 0.207 185 L C 2.571 179.511 176.870 0.117 0.000 1.086 185 L CA 0.872 55.787 54.840 0.124 0.000 0.760 185 L CB -0.514 41.625 42.059 0.133 0.000 0.910 185 L HN -0.023 nan 8.230 nan 0.000 0.437 186 T N -0.931 113.659 114.554 0.060 0.000 2.737 186 T HA -0.157 4.194 4.350 0.001 0.000 0.265 186 T C 1.437 176.143 174.700 0.010 0.000 1.038 186 T CA 1.328 63.434 62.100 0.011 0.000 1.144 186 T CB -0.203 68.657 68.868 -0.013 0.000 0.866 186 T HN 0.276 nan 8.240 nan 0.000 0.434 187 D N 0.152 120.575 120.400 0.037 0.000 2.149 187 D HA -0.101 4.540 4.640 0.001 0.000 0.198 187 D C 1.694 178.055 176.300 0.102 0.000 0.990 187 D CA 1.034 55.064 54.000 0.051 0.000 0.839 187 D CB -0.321 40.508 40.800 0.048 0.000 0.948 187 D HN 0.382 nan 8.370 nan 0.000 0.460 188 Y N 0.939 121.228 120.300 -0.018 0.000 2.220 188 Y HA -0.074 4.477 4.550 0.001 0.000 0.291 188 Y C 2.099 177.984 175.900 -0.026 0.000 1.129 188 Y CA 0.640 58.732 58.100 -0.013 0.000 1.161 188 Y CB -0.556 37.904 38.460 0.000 0.000 0.997 188 Y HN -0.087 nan 8.280 nan 0.000 0.522 189 L N 0.095 121.250 121.223 -0.114 0.000 2.083 189 L HA -0.187 4.153 4.340 0.001 0.000 0.209 189 L C 2.494 179.249 176.870 -0.192 0.000 1.083 189 L CA 1.894 56.603 54.840 -0.219 0.000 0.752 189 L CB -0.753 41.220 42.059 -0.143 0.000 0.899 189 L HN 0.388 nan 8.230 nan 0.000 0.433 190 M N -0.824 118.702 119.600 -0.124 0.000 2.080 190 M HA -0.286 4.195 4.480 0.001 0.000 0.260 190 M C 2.379 178.680 176.300 0.001 0.000 1.068 190 M CA 2.061 57.323 55.300 -0.063 0.000 1.109 190 M CB -0.180 32.410 32.600 -0.016 0.000 1.342 190 M HN 0.264 nan 8.290 nan 0.000 0.405 191 K N 0.673 121.052 120.400 -0.036 0.000 2.026 191 K HA -0.179 4.142 4.320 0.001 0.000 0.208 191 K C 1.772 178.321 176.600 -0.085 0.000 1.048 191 K CA 1.970 58.239 56.287 -0.029 0.000 0.929 191 K CB -0.457 32.049 32.500 0.010 0.000 0.713 191 K HN 0.665 nan 8.250 nan 0.000 0.439 192 I N -1.636 118.801 120.570 -0.222 0.000 2.761 192 I HA -0.099 4.072 4.170 0.001 0.000 0.261 192 I C 1.673 177.732 176.117 -0.097 0.000 1.198 192 I CA 0.740 61.904 61.300 -0.227 0.000 1.482 192 I CB -0.162 37.581 38.000 -0.428 0.000 1.100 192 I HN 0.043 nan 8.210 nan 0.000 0.445 193 L N 1.682 122.894 121.223 -0.019 0.000 2.240 193 L HA -0.088 4.253 4.340 0.001 0.000 0.211 193 L C 2.912 179.918 176.870 0.226 0.000 1.106 193 L CA 1.679 56.619 54.840 0.166 0.000 0.793 193 L CB -0.660 41.548 42.059 0.248 0.000 0.927 193 L HN 0.469 nan 8.230 nan 0.000 0.446 194 T N -3.605 111.040 114.554 0.152 0.000 2.904 194 T HA -0.161 4.190 4.350 0.001 0.000 0.267 194 T C 1.572 176.273 174.700 0.002 0.000 1.059 194 T CA 0.912 63.063 62.100 0.087 0.000 1.137 194 T CB -0.218 68.693 68.868 0.071 0.000 0.879 194 T HN 0.319 nan 8.240 nan 0.000 0.467 195 E N 0.888 121.077 120.200 -0.018 0.000 2.118 195 E HA -0.134 4.217 4.350 0.001 0.000 0.195 195 E C 2.403 178.960 176.600 -0.072 0.000 0.992 195 E CA 0.858 57.228 56.400 -0.050 0.000 0.804 195 E CB -0.170 29.491 29.700 -0.065 0.000 0.741 195 E HN 0.487 nan 8.360 nan 0.000 0.458 196 R N -0.862 119.595 120.500 -0.071 0.000 2.189 196 R HA -0.098 4.243 4.340 0.001 0.000 0.218 196 R C 1.242 177.377 176.300 -0.276 0.000 1.074 196 R CA 1.216 57.235 56.100 -0.135 0.000 0.991 196 R CB 0.211 30.470 30.300 -0.067 0.000 0.883 196 R HN 0.300 nan 8.270 nan 0.000 0.457 197 G N -1.918 106.733 108.800 -0.248 0.000 2.421 197 G HA2 -0.209 3.752 3.960 0.001 0.000 0.188 197 G HA3 -0.209 3.752 3.960 0.001 0.000 0.188 197 G C -0.442 174.288 174.900 -0.284 0.000 1.001 197 G CA -0.258 44.669 45.100 -0.288 0.000 0.693 197 G HN 0.168 nan 8.290 nan 0.000 0.479 198 Y N 1.460 121.732 120.300 -0.047 0.000 2.357 198 Y HA 0.648 5.199 4.550 0.001 0.000 0.340 198 Y C 0.926 176.658 175.900 -0.280 0.000 1.260 198 Y CA -0.021 57.977 58.100 -0.169 0.000 1.425 198 Y CB 1.395 39.826 38.460 -0.049 0.000 1.326 198 Y HN 0.106 nan 8.280 nan 0.000 0.580 199 S N 1.975 117.437 115.700 -0.397 0.000 2.707 199 S HA 0.590 5.061 4.470 0.001 0.000 0.303 199 S C -1.566 172.688 174.600 -0.577 0.000 1.132 199 S CA -0.621 57.376 58.200 -0.339 0.000 1.046 199 S CB -0.265 62.837 63.200 -0.163 0.000 1.004 199 S HN 0.419 nan 8.310 nan 0.000 0.483 200 F N 3.687 123.656 119.950 0.031 0.000 2.449 200 F HA 0.313 4.841 4.527 0.002 0.000 0.344 200 F C 1.435 177.239 175.800 0.008 0.000 1.180 200 F CA -0.626 57.382 58.000 0.013 0.000 1.209 200 F CB 0.861 39.859 39.000 -0.003 0.000 1.440 200 F HN 0.475 nan 8.300 nan 0.000 0.526 201 T N -1.770 112.844 114.554 0.100 0.000 2.739 201 T HA -0.046 4.305 4.350 0.001 0.000 0.249 201 T C 1.360 176.103 174.700 0.071 0.000 1.050 201 T CA 1.111 63.252 62.100 0.067 0.000 1.165 201 T CB -0.288 68.596 68.868 0.026 0.000 0.872 201 T HN 0.502 nan 8.240 nan 0.000 0.411 202 T N 0.216 114.807 114.554 0.062 0.000 2.680 202 T HA 0.369 4.720 4.350 0.001 0.000 0.314 202 T C 1.769 176.504 174.700 0.059 0.000 1.045 202 T CA 0.460 62.591 62.100 0.052 0.000 1.025 202 T CB -0.203 68.691 68.868 0.042 0.000 1.000 202 T HN 0.405 nan 8.240 nan 0.000 0.535 203 T N 0.290 114.870 114.554 0.044 0.000 2.652 203 T HA 0.052 4.403 4.350 0.001 0.000 0.267 203 T C 2.343 177.071 174.700 0.047 0.000 1.039 203 T CA 2.810 64.935 62.100 0.041 0.000 1.153 203 T CB -1.203 nan 68.868 nan 0.000 0.863 203 T HN 0.942 nan 8.240 nan 0.000 0.428 204 A N 1.324 124.173 122.820 0.048 0.000 1.892 204 A HA -0.161 4.160 4.320 0.001 0.000 0.218 204 A C 2.241 179.873 177.584 0.080 0.000 1.188 204 A CA 2.189 54.259 52.037 0.055 0.000 0.631 204 A CB -0.732 18.298 19.000 0.050 0.000 0.822 204 A HN 0.731 nan 8.150 nan 0.000 0.447 205 E N -1.075 119.194 120.200 0.115 0.000 2.204 205 E HA -0.185 4.166 4.350 0.001 0.000 0.195 205 E C 2.223 178.910 176.600 0.145 0.000 0.990 205 E CA 0.919 57.446 56.400 0.211 0.000 0.821 205 E CB -0.145 29.733 29.700 0.297 0.000 0.750 205 E HN 0.619 nan 8.360 nan 0.000 0.477 206 R N 1.329 121.875 120.500 0.076 0.000 2.081 206 R HA -0.181 4.160 4.340 0.001 0.000 0.235 206 R C 1.774 178.051 176.300 -0.039 0.000 1.131 206 R CA 1.486 57.587 56.100 0.002 0.000 0.960 206 R CB 0.032 30.341 30.300 0.016 0.000 0.856 206 R HN 0.138 nan 8.270 nan 0.000 0.436 207 E N 0.237 120.435 120.200 -0.002 0.000 2.171 207 E HA -0.232 4.119 4.350 0.001 0.000 0.197 207 E C 1.917 178.496 176.600 -0.034 0.000 0.997 207 E CA 1.686 58.083 56.400 -0.006 0.000 0.810 207 E CB -0.135 29.580 29.700 0.024 0.000 0.738 207 E HN 0.441 nan 8.360 nan 0.000 0.467 208 I N 0.059 120.605 120.570 -0.040 0.000 2.163 208 I HA -0.260 3.911 4.170 0.001 0.000 0.240 208 I C 2.278 178.190 176.117 -0.341 0.000 1.081 208 I CA 0.792 62.028 61.300 -0.107 0.000 1.353 208 I CB -0.251 37.757 38.000 0.014 0.000 1.054 208 I HN -0.003 nan 8.210 nan 0.000 0.407 209 V N 0.776 120.431 119.914 -0.433 0.000 2.287 209 V HA -0.316 3.805 4.120 0.001 0.000 0.248 209 V C 2.619 178.532 176.094 -0.302 0.000 1.053 209 V CA 1.984 63.978 62.300 -0.510 0.000 1.027 209 V CB -0.828 30.712 31.823 -0.471 0.000 0.646 209 V HN 0.399 nan 8.190 nan 0.000 0.447 210 R N -0.200 120.188 120.500 -0.187 0.000 2.096 210 R HA -0.227 4.114 4.340 0.001 0.000 0.235 210 R C 2.122 178.354 176.300 -0.114 0.000 1.127 210 R CA 2.138 58.171 56.100 -0.112 0.000 0.968 210 R CB -0.363 29.899 30.300 -0.063 0.000 0.861 210 R HN 0.584 nan 8.270 nan 0.000 0.440 211 D N 0.045 120.364 120.400 -0.133 0.000 2.117 211 D HA -0.099 4.542 4.640 0.001 0.000 0.198 211 D C 1.860 178.053 176.300 -0.177 0.000 0.982 211 D CA 1.045 54.990 54.000 -0.091 0.000 0.828 211 D CB 0.026 40.831 40.800 0.009 0.000 0.967 211 D HN 0.235 nan 8.370 nan 0.000 0.464 212 I N 0.301 120.623 120.570 -0.414 0.000 2.163 212 I HA -0.257 3.913 4.170 0.001 0.000 0.243 212 I C 2.482 178.494 176.117 -0.176 0.000 1.085 212 I CA 1.055 62.081 61.300 -0.456 0.000 1.347 212 I CB -0.281 37.354 38.000 -0.608 0.000 1.044 212 I HN 0.044 nan 8.210 nan 0.000 0.408 213 K N 1.252 121.572 120.400 -0.133 0.000 2.044 213 K HA -0.241 4.079 4.320 0.001 0.000 0.210 213 K C 1.854 178.478 176.600 0.040 0.000 1.049 213 K CA 1.921 58.208 56.287 0.000 0.000 0.927 213 K CB -0.055 32.452 32.500 0.011 0.000 0.713 213 K HN 0.364 nan 8.250 nan 0.000 0.443 214 E N -0.408 119.772 120.200 -0.034 0.000 2.358 214 E HA -0.077 4.274 4.350 0.001 0.000 0.195 214 E C 1.668 178.260 176.600 -0.014 0.000 1.010 214 E CA 0.640 57.001 56.400 -0.065 0.000 0.856 214 E CB 0.319 29.976 29.700 -0.072 0.000 0.795 214 E HN 0.252 nan 8.360 nan 0.000 0.504 215 K N -0.286 120.132 120.400 0.030 0.000 2.350 215 K HA 0.175 4.495 4.320 0.001 0.000 0.196 215 K C 1.657 178.327 176.600 0.116 0.000 1.084 215 K CA 0.288 56.622 56.287 0.078 0.000 0.967 215 K CB 0.661 33.238 32.500 0.127 0.000 0.950 215 K HN 0.069 nan 8.250 nan 0.000 0.512 216 L N 0.071 121.366 121.223 0.121 0.000 2.717 216 L HA 0.195 4.536 4.340 0.001 0.000 0.239 216 L C 0.714 177.725 176.870 0.235 0.000 1.086 216 L CA -0.288 54.651 54.840 0.166 0.000 0.897 216 L CB 0.712 42.848 42.059 0.128 0.000 1.214 216 L HN 0.004 nan 8.230 nan 0.000 0.508 217 C N 0.884 120.314 119.300 0.218 0.000 2.657 217 C HA 0.312 4.773 4.460 0.001 0.000 0.404 217 C C -0.046 175.194 174.990 0.416 0.000 1.291 217 C CA -0.243 58.922 59.018 0.244 0.000 2.218 217 C CB -0.554 27.338 27.740 0.253 0.000 2.687 217 C HN 0.394 nan 8.230 nan 0.000 0.634 218 Y N -1.237 119.204 120.300 0.235 0.000 2.624 218 Y HA 0.644 5.194 4.550 0.002 0.000 0.334 218 Y C -1.203 174.780 175.900 0.138 0.000 1.155 218 Y CA -1.382 56.847 58.100 0.216 0.000 1.046 218 Y CB 0.290 38.850 38.460 0.167 0.000 1.316 218 Y HN 0.277 nan 8.280 nan 0.000 0.457 219 V N 3.006 123.089 119.914 0.281 0.000 2.406 219 V HA 0.695 4.816 4.120 0.001 0.000 0.272 219 V C 0.540 176.772 176.094 0.229 0.000 1.043 219 V CA -0.228 62.153 62.300 0.135 0.000 0.915 219 V CB 0.632 32.503 31.823 0.081 0.000 0.988 219 V HN 1.031 nan 8.190 nan 0.000 0.466 220 A N 4.379 127.297 122.820 0.162 0.000 2.425 220 A HA 0.421 4.742 4.320 0.001 0.000 0.249 220 A C 0.852 178.432 177.584 -0.008 0.000 1.084 220 A CA -0.253 51.850 52.037 0.110 0.000 0.781 220 A CB 0.362 19.358 19.000 -0.007 0.000 1.019 220 A HN 0.832 nan 8.150 nan 0.000 0.490 221 L N 1.203 122.410 121.223 -0.028 0.000 1.988 221 L HA 0.024 4.365 4.340 0.001 0.000 0.207 221 L C 0.677 177.496 176.870 -0.085 0.000 1.071 221 L CA 2.068 56.864 54.840 -0.075 0.000 0.744 221 L CB -0.236 41.790 42.059 -0.055 0.000 0.893 221 L HN 0.756 nan 8.230 nan 0.000 0.433 222 D N -1.389 118.976 120.400 -0.057 0.000 2.392 222 D HA 0.044 4.685 4.640 0.001 0.000 0.228 222 D C 0.675 176.973 176.300 -0.003 0.000 1.074 222 D CA -0.342 53.640 54.000 -0.031 0.000 0.838 222 D CB 0.965 41.740 40.800 -0.042 0.000 1.067 222 D HN 0.143 nan 8.370 nan 0.000 0.511 223 F N 3.920 123.825 119.950 -0.076 0.000 2.098 223 F HA -0.060 4.468 4.527 0.001 0.000 0.294 223 F C 1.823 177.659 175.800 0.059 0.000 1.107 223 F CA 1.161 59.163 58.000 0.004 0.000 1.234 223 F CB 0.253 39.279 39.000 0.044 0.000 1.002 223 F HN 0.314 nan 8.300 nan 0.000 0.472 224 E N 0.533 120.765 120.200 0.053 0.000 2.097 224 E HA -0.280 4.071 4.350 0.001 0.000 0.196 224 E C 2.092 178.614 176.600 -0.130 0.000 1.000 224 E CA 1.561 57.934 56.400 -0.046 0.000 0.804 224 E CB -0.606 29.144 29.700 0.083 0.000 0.740 224 E HN 0.503 nan 8.360 nan 0.000 0.454 225 Q N 0.707 120.446 119.800 -0.102 0.000 2.030 225 Q HA -0.214 4.127 4.340 0.001 0.000 0.204 225 Q C 2.035 177.926 176.000 -0.181 0.000 0.986 225 Q CA 2.282 58.017 55.803 -0.113 0.000 0.843 225 Q CB -0.461 28.225 28.738 -0.088 0.000 0.904 225 Q HN 0.227 nan 8.270 nan 0.000 0.420 226 E N -1.036 118.989 120.200 -0.292 0.000 2.097 226 E HA -0.181 4.170 4.350 0.001 0.000 0.196 226 E C 1.778 178.188 176.600 -0.316 0.000 1.000 226 E CA 1.664 57.783 56.400 -0.469 0.000 0.804 226 E CB -0.127 28.987 29.700 -0.976 0.000 0.740 226 E HN 0.359 nan 8.360 nan 0.000 0.454 227 M N -0.347 119.113 119.600 -0.234 0.000 2.149 227 M HA -0.119 4.362 4.480 0.001 0.000 0.261 227 M C 2.267 178.544 176.300 -0.038 0.000 1.064 227 M CA 1.623 56.891 55.300 -0.054 0.000 1.102 227 M CB -1.044 31.421 32.600 -0.224 0.000 1.369 227 M HN 0.258 nan 8.290 nan 0.000 0.408 228 A N -0.633 122.142 122.820 -0.075 0.000 1.929 228 A HA -0.093 4.227 4.320 0.001 0.000 0.216 228 A C 2.291 179.854 177.584 -0.036 0.000 1.176 228 A CA 1.933 53.942 52.037 -0.046 0.000 0.628 228 A CB -0.961 18.010 19.000 -0.049 0.000 0.816 228 A HN 0.442 nan 8.150 nan 0.000 0.444 229 T N 0.406 114.926 114.554 -0.057 0.000 2.746 229 T HA -0.052 4.299 4.350 0.001 0.000 0.267 229 T C 2.224 176.921 174.700 -0.006 0.000 1.039 229 T CA 1.602 63.675 62.100 -0.044 0.000 1.142 229 T CB -0.437 68.382 68.868 -0.081 0.000 0.866 229 T HN 0.582 nan 8.240 nan 0.000 0.444 230 A N 1.362 124.198 122.820 0.027 0.000 1.940 230 A HA 0.112 4.433 4.320 0.001 0.000 0.219 230 A C 2.522 180.135 177.584 0.048 0.000 1.176 230 A CA 1.805 53.894 52.037 0.086 0.000 0.631 230 A CB -0.924 18.195 19.000 0.197 0.000 0.814 230 A HN 0.517 nan 8.150 nan 0.000 0.446 231 A N -1.393 121.442 122.820 0.025 0.000 2.168 231 A HA 0.171 4.492 4.320 0.001 0.000 0.215 231 A C 2.059 179.647 177.584 0.006 0.000 1.152 231 A CA 1.667 53.711 52.037 0.011 0.000 0.716 231 A CB -0.230 18.770 19.000 0.000 0.000 0.794 231 A HN 0.425 nan 8.150 nan 0.000 0.465 232 S N -1.966 113.737 115.700 0.005 0.000 2.575 232 S HA 0.245 4.716 4.470 0.001 0.000 0.230 232 S C 0.624 175.227 174.600 0.004 0.000 1.062 232 S CA 0.383 58.584 58.200 0.001 0.000 0.913 232 S CB 0.305 63.501 63.200 -0.007 0.000 0.837 232 S HN 0.469 nan 8.310 nan 0.000 0.487 233 S N 0.987 116.693 115.700 0.010 0.000 2.599 233 S HA 0.506 4.977 4.470 0.001 0.000 0.287 233 S C 0.156 174.772 174.600 0.026 0.000 1.105 233 S CA -0.235 57.973 58.200 0.012 0.000 0.899 233 S CB 1.800 65.003 63.200 0.004 0.000 1.100 233 S HN 0.170 nan 8.310 nan 0.000 0.482 234 S N 1.282 116.999 115.700 0.028 0.000 2.575 234 S HA 0.112 4.583 4.470 0.001 0.000 0.237 234 S C 1.284 175.911 174.600 0.044 0.000 0.975 234 S CA 0.405 58.630 58.200 0.042 0.000 0.960 234 S CB -0.352 62.872 63.200 0.040 0.000 0.822 234 S HN 0.892 nan 8.310 nan 0.000 0.472 235 S N 0.804 116.523 115.700 0.032 0.000 2.547 235 S HA 0.104 4.575 4.470 0.001 0.000 0.235 235 S C 1.194 175.816 174.600 0.036 0.000 0.980 235 S CA 0.306 58.520 58.200 0.024 0.000 0.941 235 S CB -0.359 62.845 63.200 0.006 0.000 0.763 235 S HN 0.418 nan 8.310 nan 0.000 0.532 236 L N 0.899 122.162 121.223 0.066 0.000 2.701 236 L HA 0.423 4.764 4.340 0.001 0.000 0.238 236 L C 0.543 177.505 176.870 0.154 0.000 1.106 236 L CA 0.102 55.009 54.840 0.112 0.000 0.898 236 L CB -0.324 41.824 42.059 0.148 0.000 1.188 236 L HN 0.281 nan 8.230 nan 0.000 0.508 237 E N 1.238 121.511 120.200 0.121 0.000 2.414 237 E HA 0.077 4.428 4.350 0.001 0.000 0.263 237 E C -0.147 176.521 176.600 0.113 0.000 1.000 237 E CA 0.512 56.985 56.400 0.121 0.000 0.914 237 E CB 0.723 30.481 29.700 0.097 0.000 0.948 237 E HN 0.100 nan 8.360 nan 0.000 0.444 238 K N 1.126 121.602 120.400 0.127 0.000 2.375 238 K HA 0.311 4.632 4.320 0.001 0.000 0.249 238 K C -0.816 175.856 176.600 0.119 0.000 0.942 238 K CA -0.687 55.670 56.287 0.116 0.000 0.806 238 K CB 1.994 34.572 32.500 0.130 0.000 1.227 238 K HN 0.541 nan 8.250 nan 0.000 0.430 239 S N 1.011 116.775 115.700 0.105 0.000 2.475 239 S HA 0.359 4.830 4.470 0.001 0.000 0.298 239 S C -1.024 173.653 174.600 0.130 0.000 1.119 239 S CA -0.749 57.516 58.200 0.108 0.000 1.085 239 S CB 0.802 64.046 63.200 0.074 0.000 1.028 239 S HN 0.598 nan 8.310 nan 0.000 0.489 240 Y N 1.478 121.777 120.300 -0.001 0.000 2.335 240 Y HA 0.463 5.014 4.550 0.001 0.000 0.338 240 Y C -0.080 175.811 175.900 -0.015 0.000 0.977 240 Y CA -0.676 57.416 58.100 -0.012 0.000 1.114 240 Y CB 1.227 39.666 38.460 -0.034 0.000 1.182 240 Y HN 0.876 nan 8.280 nan 0.000 0.463 241 E N 5.743 125.624 120.200 -0.533 0.000 2.174 241 E HA 0.296 4.646 4.350 0.001 0.000 0.282 241 E C -1.315 175.000 176.600 -0.476 0.000 0.992 241 E CA -0.713 55.473 56.400 -0.357 0.000 0.803 241 E CB 0.923 30.488 29.700 -0.226 0.000 1.090 241 E HN 0.703 nan 8.360 nan 0.000 0.396 242 L N 5.919 127.041 121.223 -0.169 0.000 2.439 242 L HA 0.187 4.528 4.340 0.001 0.000 0.261 242 L C -1.534 175.299 176.870 -0.061 0.000 1.153 242 L CA -1.195 53.615 54.840 -0.050 0.000 0.808 242 L CB 0.206 42.301 42.059 0.059 0.000 1.126 242 L HN 0.546 nan 8.230 nan 0.000 0.460 243 P HA -0.184 nan 4.420 nan 0.000 0.215 243 P C 0.759 178.051 177.300 -0.014 0.000 1.157 243 P CA 1.304 64.391 63.100 -0.020 0.000 0.874 243 P CB -0.023 31.679 31.700 0.003 0.000 0.790 244 D N -1.399 119.001 120.400 0.000 0.000 2.384 244 D HA -0.060 4.581 4.640 0.001 0.000 0.222 244 D C 1.455 177.751 176.300 -0.005 0.000 0.976 244 D CA 1.354 55.355 54.000 0.001 0.000 0.915 244 D CB -0.970 39.836 40.800 0.009 0.000 0.896 244 D HN 0.333 nan 8.370 nan 0.000 0.523 245 G N -0.079 108.712 108.800 -0.015 0.000 2.195 245 G HA2 -0.297 3.664 3.960 0.001 0.000 0.224 245 G HA3 -0.297 3.664 3.960 0.001 0.000 0.224 245 G C 0.051 174.943 174.900 -0.012 0.000 0.990 245 G CA 0.169 45.256 45.100 -0.020 0.000 0.639 245 G HN 0.648 nan 8.290 nan 0.000 0.514 246 Q N 0.908 120.708 119.800 0.000 0.000 2.313 246 Q HA 0.479 4.820 4.340 0.001 0.000 0.266 246 Q C -0.142 175.867 176.000 0.016 0.000 0.989 246 Q CA -0.112 55.700 55.803 0.016 0.000 0.890 246 Q CB 0.920 29.674 28.738 0.027 0.000 1.200 246 Q HN 0.254 nan 8.270 nan 0.000 0.396 247 V N 5.283 125.213 119.914 0.027 0.000 2.472 247 V HA 0.429 4.550 4.120 0.001 0.000 0.290 247 V C 0.079 176.205 176.094 0.053 0.000 1.037 247 V CA -0.640 61.680 62.300 0.034 0.000 0.908 247 V CB 1.400 33.244 31.823 0.034 0.000 0.985 247 V HN 0.704 nan 8.190 nan 0.000 0.454 248 I N 0.730 121.315 120.570 0.025 0.000 2.466 248 I HA 0.693 4.864 4.170 0.001 0.000 0.289 248 I C -0.103 176.018 176.117 0.007 0.000 1.026 248 I CA -0.446 60.780 61.300 -0.123 0.000 1.078 248 I CB 0.847 38.450 38.000 -0.661 0.000 1.249 248 I HN 0.661 nan 8.210 nan 0.000 0.429 249 T N 4.698 119.367 114.554 0.192 0.000 2.856 249 T HA 0.636 4.986 4.350 0.001 0.000 0.292 249 T C -0.149 174.688 174.700 0.228 0.000 0.980 249 T CA -0.198 62.023 62.100 0.201 0.000 1.091 249 T CB 1.183 70.170 68.868 0.198 0.000 0.936 249 T HN 1.174 nan 8.240 nan 0.000 0.503 250 I N 1.943 122.603 120.570 0.150 0.000 2.498 250 I HA 0.831 5.002 4.170 0.001 0.000 0.290 250 I C 0.352 176.536 176.117 0.112 0.000 1.032 250 I CA -0.286 61.087 61.300 0.122 0.000 1.073 250 I CB 0.993 39.027 38.000 0.056 0.000 1.251 250 I HN 0.905 nan 8.210 nan 0.000 0.426 251 G N 4.476 113.329 108.800 0.087 0.000 2.930 251 G HA2 0.146 4.107 3.960 0.001 0.000 0.209 251 G HA3 0.146 4.107 3.960 0.001 0.000 0.209 251 G C 0.915 175.867 174.900 0.087 0.000 2.018 251 G CA 0.628 45.790 45.100 0.103 0.000 0.751 251 G HN 0.836 nan 8.290 nan 0.000 0.770 252 N N 1.170 119.876 118.700 0.011 0.000 2.364 252 N HA -0.057 4.684 4.740 0.001 0.000 0.183 252 N C 1.452 176.578 175.510 -0.640 0.000 1.022 252 N CA 1.606 54.505 53.050 -0.252 0.000 0.883 252 N CB -0.432 37.930 38.487 -0.208 0.000 0.965 252 N HN 0.431 nan 8.380 nan 0.000 0.438 253 E N 0.365 120.378 120.200 -0.313 0.000 2.331 253 E HA -0.070 4.281 4.350 0.001 0.000 0.199 253 E C 1.833 178.275 176.600 -0.263 0.000 1.008 253 E CA 0.681 56.907 56.400 -0.291 0.000 0.843 253 E CB -0.125 29.470 29.700 -0.176 0.000 0.761 253 E HN 0.485 nan 8.360 nan 0.000 0.507 254 R N -0.361 120.021 120.500 -0.198 0.000 2.081 254 R HA -0.116 4.225 4.340 0.001 0.000 0.235 254 R C 1.815 177.958 176.300 -0.262 0.000 1.131 254 R CA 1.725 57.757 56.100 -0.114 0.000 0.960 254 R CB -0.273 30.071 30.300 0.074 0.000 0.856 254 R HN 0.402 nan 8.270 nan 0.000 0.436 255 F N -1.565 118.150 119.950 -0.391 0.000 2.694 255 F HA 0.369 4.897 4.527 0.002 0.000 0.292 255 F C 1.802 177.605 175.800 0.004 0.000 1.121 255 F CA -0.532 57.230 58.000 -0.398 0.000 1.352 255 F CB -0.197 38.452 39.000 -0.586 0.000 1.107 255 F HN -0.331 nan 8.300 nan 0.000 0.597 256 R N 0.332 120.532 120.500 -0.501 0.000 2.096 256 R HA -0.139 4.202 4.340 0.001 0.000 0.235 256 R C 2.408 178.815 176.300 0.178 0.000 1.127 256 R CA 1.553 57.648 56.100 -0.008 0.000 0.968 256 R CB -0.997 29.199 30.300 -0.173 0.000 0.861 256 R HN 0.597 nan 8.270 nan 0.000 0.440 257 C N 1.563 120.870 119.300 0.011 0.000 2.455 257 C HA 0.001 4.462 4.460 0.001 0.000 0.281 257 C C -0.489 174.567 174.990 0.110 0.000 1.237 257 C CA 0.754 59.854 59.018 0.137 0.000 1.726 257 C CB -1.067 26.662 27.740 -0.018 0.000 2.068 257 C HN 0.300 nan 8.230 nan 0.000 0.466 258 P HA -0.092 nan 4.420 nan 0.000 0.226 258 P C 1.159 178.402 177.300 -0.096 0.000 1.153 258 P CA 1.721 64.639 63.100 -0.305 0.000 0.777 258 P CB -0.339 30.866 31.700 -0.825 0.000 0.794 259 E N 1.273 121.453 120.200 -0.033 0.000 2.219 259 E HA -0.173 4.178 4.350 0.001 0.000 0.198 259 E C 2.006 178.455 176.600 -0.251 0.000 0.998 259 E CA 1.390 57.712 56.400 -0.130 0.000 0.818 259 E CB -1.127 28.379 29.700 -0.323 0.000 0.741 259 E HN 0.148 nan 8.360 nan 0.000 0.477 260 A N 0.191 122.903 122.820 -0.180 0.000 2.076 260 A HA -0.143 4.178 4.320 0.001 0.000 0.220 260 A C 2.135 179.574 177.584 -0.242 0.000 1.160 260 A CA 1.219 53.080 52.037 -0.293 0.000 0.653 260 A CB -0.630 18.207 19.000 -0.272 0.000 0.801 260 A HN 0.370 nan 8.150 nan 0.000 0.455 261 L N -2.369 118.752 121.223 -0.170 0.000 2.131 261 L HA -0.149 4.192 4.340 0.001 0.000 0.210 261 L C 2.121 178.763 176.870 -0.380 0.000 1.092 261 L CA 1.197 55.882 54.840 -0.258 0.000 0.759 261 L CB -0.368 41.516 42.059 -0.292 0.000 0.903 261 L HN 0.446 nan 8.230 nan 0.000 0.435 262 F N -1.127 118.699 119.950 -0.207 0.000 2.582 262 F HA 0.091 4.619 4.527 0.001 0.000 0.290 262 F C 1.048 176.730 175.800 -0.196 0.000 1.115 262 F CA 0.118 58.029 58.000 -0.149 0.000 1.445 262 F CB 0.268 39.080 39.000 -0.314 0.000 1.126 262 F HN -0.037 nan 8.300 nan 0.000 0.574 263 Q N 0.768 120.387 119.800 -0.303 0.000 2.798 263 Q HA 0.212 4.553 4.340 0.001 0.000 0.250 263 Q C -2.152 173.547 176.000 -0.501 0.000 1.006 263 Q CA -1.626 53.879 55.803 -0.497 0.000 0.759 263 Q CB 1.285 29.439 28.738 -0.972 0.000 1.201 263 Q HN 0.019 nan 8.270 nan 0.000 0.486 264 P HA -0.173 nan 4.420 nan 0.000 0.230 264 P C 1.334 178.555 177.300 -0.132 0.000 1.158 264 P CA 1.040 64.018 63.100 -0.203 0.000 0.769 264 P CB 0.246 31.856 31.700 -0.150 0.000 0.807 265 S N -1.487 114.161 115.700 -0.087 0.000 2.440 265 S HA -0.192 4.279 4.470 0.001 0.000 0.238 265 S C 1.700 176.386 174.600 0.142 0.000 1.010 265 S CA 0.902 59.118 58.200 0.026 0.000 0.972 265 S CB -1.614 61.622 63.200 0.060 0.000 0.774 265 S HN -0.058 nan 8.310 nan 0.000 0.501 266 F N 1.613 121.449 119.950 -0.190 0.000 2.250 266 F HA 0.145 4.672 4.527 0.001 0.000 0.301 266 F C 1.717 177.281 175.800 -0.394 0.000 1.077 266 F CA 0.106 57.944 58.000 -0.270 0.000 1.348 266 F CB -0.729 38.031 39.000 -0.399 0.000 1.040 266 F HN 0.252 nan 8.300 nan 0.000 0.509 267 L N -1.397 119.725 121.223 -0.168 0.000 2.667 267 L HA 0.324 4.665 4.340 0.001 0.000 0.232 267 L C 1.684 178.508 176.870 -0.077 0.000 1.138 267 L CA 0.563 55.284 54.840 -0.199 0.000 0.921 267 L CB -0.355 41.577 42.059 -0.212 0.000 1.180 267 L HN 0.239 nan 8.230 nan 0.000 0.487 268 G N -0.048 108.729 108.800 -0.038 0.000 2.159 268 G HA2 -0.304 3.657 3.960 0.001 0.000 0.256 268 G HA3 -0.304 3.657 3.960 0.001 0.000 0.256 268 G C 0.244 175.128 174.900 -0.028 0.000 0.977 268 G CA -0.011 45.078 45.100 -0.018 0.000 0.652 268 G HN 0.256 nan 8.290 nan 0.000 0.531 269 M N 0.951 120.524 119.600 -0.046 0.000 2.277 269 M HA 0.327 4.808 4.480 0.001 0.000 0.350 269 M C 1.525 177.796 176.300 -0.048 0.000 1.180 269 M CA -0.467 54.801 55.300 -0.053 0.000 1.103 269 M CB 0.994 33.549 32.600 -0.075 0.000 1.577 269 M HN 0.259 nan 8.290 nan 0.000 0.459 270 E N 0.803 120.976 120.200 -0.045 0.000 2.512 270 E HA 0.017 4.368 4.350 0.001 0.000 0.195 270 E C -0.234 176.335 176.600 -0.051 0.000 1.083 270 E CA 0.044 56.419 56.400 -0.040 0.000 0.873 270 E CB -0.268 29.412 29.700 -0.034 0.000 0.897 270 E HN 0.591 nan 8.360 nan 0.000 0.514 274 I N -1.346 119.088 120.570 -0.227 0.000 2.493 274 I HA -0.086 4.084 4.170 0.001 0.000 0.254 274 I C 2.287 178.345 176.117 -0.097 0.000 1.160 274 I CA 1.835 62.995 61.300 -0.233 0.000 1.445 274 I CB -0.525 37.255 38.000 -0.367 0.000 1.086 274 I HN 0.639 nan 8.210 nan 0.000 0.433 275 H N 1.347 120.318 119.070 -0.166 0.000 2.357 275 H HA -0.030 4.527 4.556 0.001 0.000 0.301 275 H C 1.652 177.028 175.328 0.080 0.000 1.082 275 H CA 1.692 57.761 56.048 0.035 0.000 1.342 275 H CB -0.876 28.996 29.762 0.183 0.000 1.389 275 H HN 0.479 nan 8.280 nan 0.000 0.511 276 E N 0.408 120.282 120.200 -0.543 0.000 2.072 276 E HA -0.127 4.224 4.350 0.001 0.000 0.191 276 E C 2.436 179.017 176.600 -0.031 0.000 0.985 276 E CA 2.025 58.267 56.400 -0.263 0.000 0.801 276 E CB 0.062 29.538 29.700 -0.372 0.000 0.750 276 E HN 0.649 nan 8.360 nan 0.000 0.452 277 T N -1.589 112.914 114.554 -0.085 0.000 2.951 277 T HA -0.091 4.260 4.350 0.001 0.000 0.268 277 T C 1.945 176.633 174.700 -0.020 0.000 1.073 277 T CA 1.580 63.650 62.100 -0.051 0.000 1.134 277 T CB -0.348 68.475 68.868 -0.076 0.000 0.884 277 T HN -0.020 nan 8.240 nan 0.000 0.479 278 T N 1.301 115.861 114.554 0.009 0.000 2.684 278 T HA -0.009 4.342 4.350 0.001 0.000 0.267 278 T C 1.266 176.005 174.700 0.066 0.000 1.036 278 T CA 1.588 63.710 62.100 0.037 0.000 1.148 278 T CB -0.639 68.275 68.868 0.076 0.000 0.863 278 T HN 0.486 nan 8.240 nan 0.000 0.436 279 F N 2.957 122.900 119.950 -0.011 0.000 2.102 279 F HA -0.129 4.398 4.527 0.001 0.000 0.298 279 F C 2.100 177.891 175.800 -0.016 0.000 1.105 279 F CA 1.178 59.192 58.000 0.024 0.000 1.239 279 F CB -0.531 38.503 39.000 0.057 0.000 0.991 279 F HN 0.049 nan 8.300 nan 0.000 0.474 280 N N 0.082 118.724 118.700 -0.096 0.000 2.149 280 N HA -0.176 4.565 4.740 0.001 0.000 0.188 280 N C 2.136 177.520 175.510 -0.210 0.000 1.019 280 N CA 1.512 54.446 53.050 -0.194 0.000 0.857 280 N CB -0.766 37.680 38.487 -0.068 0.000 0.997 280 N HN 0.278 nan 8.380 nan 0.000 0.426 281 S N 0.864 116.471 115.700 -0.156 0.000 2.368 281 S HA 0.046 4.517 4.470 0.001 0.000 0.225 281 S C 2.065 176.536 174.600 -0.215 0.000 1.030 281 S CA 0.555 58.657 58.200 -0.163 0.000 0.999 281 S CB -0.091 63.041 63.200 -0.113 0.000 0.844 281 S HN 0.246 nan 8.310 nan 0.000 0.459 282 I N 1.246 121.662 120.570 -0.256 0.000 2.226 282 I HA -0.186 3.985 4.170 0.001 0.000 0.245 282 I C 2.312 178.234 176.117 -0.325 0.000 1.100 282 I CA 0.918 62.019 61.300 -0.332 0.000 1.374 282 I CB -0.305 37.388 38.000 -0.512 0.000 1.057 282 I HN 0.290 nan 8.210 nan 0.000 0.413 283 M N 0.348 119.708 119.600 -0.401 0.000 2.267 283 M HA -0.215 4.266 4.480 0.001 0.000 0.263 283 M C 2.035 178.215 176.300 -0.199 0.000 1.063 283 M CA 1.709 56.798 55.300 -0.353 0.000 1.090 283 M CB -0.904 31.409 32.600 -0.479 0.000 1.392 283 M HN 0.157 nan 8.290 nan 0.000 0.422 284 K N -0.890 119.400 120.400 -0.183 0.000 2.432 284 K HA 0.013 4.334 4.320 0.001 0.000 0.196 284 K C 0.422 177.005 176.600 -0.027 0.000 1.038 284 K CA -0.005 56.216 56.287 -0.110 0.000 0.986 284 K CB 0.140 32.540 32.500 -0.167 0.000 0.782 284 K HN 0.288 nan 8.250 nan 0.000 0.485 285 C N 1.412 120.666 119.300 -0.077 0.000 2.364 285 C HA 0.170 4.630 4.460 0.001 0.000 0.356 285 C C 0.364 175.336 174.990 -0.031 0.000 1.201 285 C CA -1.705 57.301 59.018 -0.021 0.000 2.227 285 C CB 0.769 28.449 27.740 -0.099 0.000 2.387 285 C HN 0.425 nan 8.230 nan 0.000 0.546 286 D N 0.923 121.304 120.400 -0.032 0.000 2.629 286 D HA -0.091 4.550 4.640 0.001 0.000 0.228 286 D C 1.107 177.369 176.300 -0.064 0.000 1.127 286 D CA 0.464 54.428 54.000 -0.060 0.000 0.855 286 D CB 0.871 41.614 40.800 -0.095 0.000 1.180 286 D HN 0.428 nan 8.370 nan 0.000 0.484 287 V N 3.839 123.730 119.914 -0.039 0.000 2.453 287 V HA -0.241 3.880 4.120 0.001 0.000 0.252 287 V C 1.419 177.505 176.094 -0.013 0.000 1.068 287 V CA 2.093 64.383 62.300 -0.015 0.000 1.070 287 V CB -0.195 31.628 31.823 -0.000 0.000 0.664 287 V HN 0.546 nan 8.190 nan 0.000 0.461 288 D N -0.178 120.200 120.400 -0.036 0.000 2.348 288 D HA -0.011 4.630 4.640 0.001 0.000 0.216 288 D C 1.686 177.958 176.300 -0.048 0.000 0.970 288 D CA 1.525 55.508 54.000 -0.030 0.000 0.889 288 D CB 0.088 40.868 40.800 -0.034 0.000 0.912 288 D HN 0.768 nan 8.370 nan 0.000 0.524 289 I N -2.986 117.522 120.570 -0.104 0.000 4.057 289 I HA 0.197 4.368 4.170 0.001 0.000 0.334 289 I C 1.839 177.931 176.117 -0.043 0.000 1.308 289 I CA -0.250 60.977 61.300 -0.122 0.000 1.125 289 I CB 0.323 38.092 38.000 -0.386 0.000 1.034 289 I HN -0.311 nan 8.210 nan 0.000 0.401 290 R N 1.602 122.082 120.500 -0.034 0.000 2.081 290 R HA -0.147 4.193 4.340 0.001 0.000 0.235 290 R C 2.446 178.792 176.300 0.077 0.000 1.131 290 R CA 1.768 57.837 56.100 -0.052 0.000 0.960 290 R CB -0.419 29.892 30.300 0.018 0.000 0.856 290 R HN 0.291 nan 8.270 nan 0.000 0.436 291 K N 1.212 121.712 120.400 0.167 0.000 2.074 291 K HA -0.211 4.110 4.320 0.001 0.000 0.209 291 K C 1.301 178.005 176.600 0.173 0.000 1.048 291 K CA 2.288 58.703 56.287 0.213 0.000 0.926 291 K CB -0.561 32.021 32.500 0.137 0.000 0.713 291 K HN 0.317 nan 8.250 nan 0.000 0.444 292 D N -0.195 120.278 120.400 0.123 0.000 2.178 292 D HA -0.019 4.622 4.640 0.001 0.000 0.201 292 D C 1.869 178.224 176.300 0.092 0.000 0.980 292 D CA 1.499 55.572 54.000 0.120 0.000 0.842 292 D CB -0.017 40.884 40.800 0.168 0.000 0.948 292 D HN 0.312 nan 8.370 nan 0.000 0.472 293 L N -0.772 120.469 121.223 0.030 0.000 2.068 293 L HA -0.096 4.245 4.340 0.001 0.000 0.204 293 L C 1.930 178.789 176.870 -0.018 0.000 1.076 293 L CA 0.670 55.485 54.840 -0.043 0.000 0.753 293 L CB -0.479 41.477 42.059 -0.170 0.000 0.910 293 L HN 0.080 nan 8.230 nan 0.000 0.439 294 Y N 0.588 120.927 120.300 0.065 0.000 2.207 294 Y HA -0.232 4.319 4.550 0.001 0.000 0.287 294 Y C 2.571 178.510 175.900 0.065 0.000 1.156 294 Y CA 1.158 59.302 58.100 0.073 0.000 1.182 294 Y CB -0.648 37.857 38.460 0.076 0.000 0.979 294 Y HN 0.139 nan 8.280 nan 0.000 0.521 295 A N -0.970 121.978 122.820 0.212 0.000 2.218 295 A HA 0.045 4.366 4.320 0.001 0.000 0.209 295 A C 0.836 178.479 177.584 0.099 0.000 1.168 295 A CA 0.483 52.602 52.037 0.137 0.000 0.804 295 A CB -0.160 18.908 19.000 0.114 0.000 0.834 295 A HN 0.341 nan 8.150 nan 0.000 0.482 296 N N 0.703 119.458 118.700 0.091 0.000 2.679 296 N HA 0.099 4.840 4.740 0.001 0.000 0.302 296 N C -1.179 174.366 175.510 0.058 0.000 1.941 296 N CA 0.037 53.126 53.050 0.066 0.000 0.875 296 N CB 1.004 39.524 38.487 0.055 0.000 1.278 296 N HN 0.041 nan 8.380 nan 0.000 0.490 297 T N 0.855 115.452 114.554 0.072 0.000 2.723 297 T HA 0.289 4.640 4.350 0.001 0.000 0.297 297 T C 0.516 175.253 174.700 0.062 0.000 0.925 297 T CA -0.144 61.996 62.100 0.066 0.000 1.030 297 T CB 1.318 70.242 68.868 0.093 0.000 0.905 297 T HN -0.131 nan 8.240 nan 0.000 0.502 298 V N 5.573 125.517 119.914 0.050 0.000 2.459 298 V HA 0.451 4.572 4.120 0.001 0.000 0.295 298 V C 0.053 176.176 176.094 0.048 0.000 1.029 298 V CA -0.960 61.369 62.300 0.047 0.000 0.874 298 V CB 1.593 33.440 31.823 0.040 0.000 0.985 298 V HN 0.736 nan 8.190 nan 0.000 0.438 299 L N 4.617 125.870 121.223 0.049 0.000 2.307 299 L HA 0.759 5.100 4.340 0.001 0.000 0.282 299 L C 0.231 177.124 176.870 0.040 0.000 1.051 299 L CA 0.037 54.907 54.840 0.049 0.000 0.804 299 L CB 1.779 43.874 42.059 0.059 0.000 1.197 299 L HN 0.866 nan 8.230 nan 0.000 0.431 300 S N 1.278 116.999 115.700 0.036 0.000 2.588 300 S HA 0.948 5.419 4.470 0.001 0.000 0.275 300 S C -0.390 174.220 174.600 0.017 0.000 1.130 300 S CA -0.152 58.066 58.200 0.029 0.000 0.855 300 S CB 2.190 65.415 63.200 0.042 0.000 1.116 300 S HN 1.242 nan 8.310 nan 0.000 0.472 301 G N 0.080 108.878 108.800 -0.004 0.000 2.675 301 G HA2 0.312 4.273 3.960 0.001 0.000 0.686 301 G HA3 0.312 4.273 3.960 0.001 0.000 0.686 301 G C 0.712 175.572 174.900 -0.067 0.000 1.215 301 G CA -0.104 44.980 45.100 -0.025 0.000 0.777 301 G HN 1.825 nan 8.290 nan 0.000 0.638 302 G N -0.736 108.002 108.800 -0.103 0.000 2.485 302 G HA2 0.004 3.965 3.960 0.001 0.000 0.221 302 G HA3 0.004 3.965 3.960 0.001 0.000 0.221 302 G C 1.673 176.489 174.900 -0.141 0.000 1.115 302 G CA 2.261 47.273 45.100 -0.147 0.000 0.751 302 G HN 1.343 nan 8.290 nan 0.000 0.567 303 T N 0.506 115.023 114.554 -0.063 0.000 3.118 303 T HA 0.011 4.361 4.350 0.001 0.000 0.260 303 T C 2.302 177.053 174.700 0.084 0.000 1.139 303 T CA 1.418 63.523 62.100 0.009 0.000 1.085 303 T CB -0.120 68.788 68.868 0.068 0.000 0.934 303 T HN 0.529 nan 8.240 nan 0.000 0.518 304 T N -0.827 113.742 114.554 0.025 0.000 3.206 304 T HA 0.229 4.580 4.350 0.001 0.000 0.253 304 T C 1.417 176.138 174.700 0.034 0.000 1.042 304 T CA -0.238 61.911 62.100 0.082 0.000 0.931 304 T CB -0.259 68.643 68.868 0.057 0.000 1.029 304 T HN 0.030 nan 8.240 nan 0.000 0.564 305 M N 0.842 120.370 119.600 -0.120 0.000 2.561 305 M HA 0.302 4.783 4.480 0.001 0.000 0.238 305 M C -0.546 175.671 176.300 -0.138 0.000 1.131 305 M CA -0.478 54.726 55.300 -0.160 0.000 1.046 305 M CB -1.053 31.407 32.600 -0.234 0.000 1.532 305 M HN 0.329 nan 8.290 nan 0.000 0.497 306 Y N 1.520 121.860 120.300 0.067 0.000 2.442 306 Y HA 0.171 4.722 4.550 0.001 0.000 0.330 306 Y C -1.682 174.284 175.900 0.110 0.000 1.129 306 Y CA -2.118 56.043 58.100 0.102 0.000 1.365 306 Y CB -0.598 37.941 38.460 0.131 0.000 1.233 306 Y HN 0.103 nan 8.280 nan 0.000 0.529 307 P HA 0.088 nan 4.420 nan 0.000 0.267 307 P C 0.822 178.251 177.300 0.215 0.000 1.200 307 P CA 1.277 64.487 63.100 0.184 0.000 0.772 307 P CB 0.674 32.460 31.700 0.143 0.000 0.855 308 G N 1.981 110.865 108.800 0.141 0.000 2.225 308 G HA2 -0.356 3.605 3.960 0.001 0.000 0.254 308 G HA3 -0.356 3.605 3.960 0.001 0.000 0.254 308 G C 0.962 175.939 174.900 0.129 0.000 0.988 308 G CA 0.286 45.459 45.100 0.122 0.000 0.625 308 G HN 0.558 nan 8.290 nan 0.000 0.527 309 I N 1.159 121.839 120.570 0.183 0.000 2.179 309 I HA 0.049 4.220 4.170 0.001 0.000 0.242 309 I C 2.990 179.211 176.117 0.173 0.000 1.088 309 I CA 2.385 63.814 61.300 0.216 0.000 1.357 309 I CB -0.257 37.910 38.000 0.278 0.000 1.051 309 I HN 0.389 nan 8.210 nan 0.000 0.409 310 A N 0.211 123.109 122.820 0.130 0.000 1.877 310 A HA -0.269 4.052 4.320 0.001 0.000 0.216 310 A C 1.926 179.561 177.584 0.085 0.000 1.186 310 A CA 2.214 54.314 52.037 0.105 0.000 0.620 310 A CB -0.837 18.211 19.000 0.081 0.000 0.822 310 A HN 0.468 nan 8.150 nan 0.000 0.443 311 D N -0.829 119.608 120.400 0.062 0.000 2.123 311 D HA -0.160 4.481 4.640 0.001 0.000 0.196 311 D C 2.101 178.412 176.300 0.018 0.000 0.992 311 D CA 1.611 55.632 54.000 0.034 0.000 0.833 311 D CB -0.260 40.550 40.800 0.017 0.000 0.954 311 D HN 0.407 nan 8.370 nan 0.000 0.455 312 R N 0.072 120.577 120.500 0.007 0.000 2.070 312 R HA -0.049 4.292 4.340 0.001 0.000 0.233 312 R C 2.160 178.469 176.300 0.015 0.000 1.137 312 R CA 1.097 57.150 56.100 -0.078 0.000 0.945 312 R CB -0.433 29.720 30.300 -0.245 0.000 0.845 312 R HN 0.030 nan 8.270 nan 0.000 0.430 313 M N 0.544 120.243 119.600 0.166 0.000 2.073 313 M HA -0.237 4.244 4.480 0.001 0.000 0.258 313 M C 2.251 178.635 176.300 0.140 0.000 1.070 313 M CA 2.072 57.503 55.300 0.218 0.000 1.103 313 M CB -1.208 31.519 32.600 0.210 0.000 1.321 313 M HN 0.279 nan 8.290 nan 0.000 0.405 314 Q N 0.745 120.604 119.800 0.098 0.000 2.062 314 Q HA -0.229 4.112 4.340 0.001 0.000 0.209 314 Q C 2.015 178.044 176.000 0.049 0.000 0.996 314 Q CA 2.616 58.463 55.803 0.073 0.000 0.859 314 Q CB -0.363 28.407 28.738 0.053 0.000 0.920 314 Q HN 0.499 nan 8.270 nan 0.000 0.415 315 K N -0.722 119.691 120.400 0.021 0.000 2.026 315 K HA -0.197 4.124 4.320 0.001 0.000 0.208 315 K C 1.904 178.503 176.600 -0.002 0.000 1.048 315 K CA 1.544 57.827 56.287 -0.007 0.000 0.929 315 K CB -0.068 32.410 32.500 -0.037 0.000 0.713 315 K HN 0.195 nan 8.250 nan 0.000 0.439 316 E N 0.978 121.186 120.200 0.015 0.000 2.051 316 E HA -0.168 4.183 4.350 0.001 0.000 0.192 316 E C 2.117 178.774 176.600 0.095 0.000 0.991 316 E CA 0.914 57.347 56.400 0.055 0.000 0.799 316 E CB -0.219 29.521 29.700 0.066 0.000 0.748 316 E HN 0.348 nan 8.360 nan 0.000 0.449 317 I N 1.293 121.941 120.570 0.130 0.000 2.179 317 I HA -0.209 3.962 4.170 0.001 0.000 0.242 317 I C 2.268 178.402 176.117 0.029 0.000 1.088 317 I CA 1.276 62.654 61.300 0.129 0.000 1.357 317 I CB -1.874 36.262 38.000 0.228 0.000 1.051 317 I HN 0.063 nan 8.210 nan 0.000 0.409 318 T N 1.566 116.129 114.554 0.015 0.000 2.721 318 T HA -0.200 4.151 4.350 0.001 0.000 0.268 318 T C 1.942 176.601 174.700 -0.069 0.000 1.038 318 T CA 1.831 63.910 62.100 -0.036 0.000 1.145 318 T CB -0.308 68.547 68.868 -0.020 0.000 0.858 318 T HN 0.512 nan 8.240 nan 0.000 0.459 319 A N 0.264 123.046 122.820 -0.063 0.000 2.014 319 A HA 0.184 4.505 4.320 0.001 0.000 0.218 319 A C 2.182 179.673 177.584 -0.155 0.000 1.163 319 A CA 0.856 52.843 52.037 -0.082 0.000 0.652 319 A CB -0.410 18.558 19.000 -0.053 0.000 0.808 319 A HN 0.495 nan 8.150 nan 0.000 0.449 320 L N -1.079 119.989 121.223 -0.257 0.000 2.253 320 L HA 0.213 4.554 4.340 0.001 0.000 0.205 320 L C 1.599 178.149 176.870 -0.533 0.000 1.078 320 L CA 0.259 54.745 54.840 -0.591 0.000 0.805 320 L CB -0.367 41.060 42.059 -1.054 0.000 0.963 320 L HN 0.335 nan 8.230 nan 0.000 0.459 321 A N 0.309 122.986 122.820 -0.239 0.000 2.332 321 A HA 0.412 4.733 4.320 0.001 0.000 0.258 321 A C -2.169 175.362 177.584 -0.089 0.000 1.087 321 A CA -1.063 50.936 52.037 -0.064 0.000 0.802 321 A CB -0.562 18.221 19.000 -0.362 0.000 1.042 321 A HN -0.039 nan 8.150 nan 0.000 0.489 322 P HA 0.020 nan 4.420 nan 0.000 0.265 322 P C 0.887 178.130 177.300 -0.095 0.000 1.187 322 P CA 0.637 63.708 63.100 -0.048 0.000 0.766 322 P CB 0.615 32.305 31.700 -0.016 0.000 0.820 323 S N 0.535 116.201 115.700 -0.057 0.000 2.500 323 S HA -0.148 4.323 4.470 0.001 0.000 0.239 323 S C 1.379 175.950 174.600 -0.049 0.000 0.989 323 S CA 1.540 59.708 58.200 -0.053 0.000 0.951 323 S CB -1.326 61.855 63.200 -0.032 0.000 0.759 323 S HN 0.594 nan 8.310 nan 0.000 0.523 324 T N -0.953 113.574 114.554 -0.045 0.000 3.067 324 T HA 0.297 4.647 4.350 0.001 0.000 0.261 324 T C 0.726 175.403 174.700 -0.039 0.000 1.110 324 T CA 0.023 62.106 62.100 -0.029 0.000 1.113 324 T CB -0.314 68.549 68.868 -0.009 0.000 0.917 324 T HN 0.211 nan 8.240 nan 0.000 0.499 325 M N 2.852 122.396 119.600 -0.093 0.000 2.105 325 M HA 0.371 4.852 4.480 0.001 0.000 0.350 325 M C 0.347 176.593 176.300 -0.090 0.000 1.308 325 M CA -0.610 54.615 55.300 -0.126 0.000 1.108 325 M CB 0.168 32.533 32.600 -0.391 0.000 1.622 325 M HN 0.289 nan 8.290 nan 0.000 0.468 326 K N 4.856 125.250 120.400 -0.010 0.000 2.412 326 K HA 0.374 4.694 4.320 0.001 0.000 0.284 326 K C -0.355 176.276 176.600 0.051 0.000 1.046 326 K CA -0.049 56.249 56.287 0.018 0.000 0.999 326 K CB -0.209 32.315 32.500 0.039 0.000 0.941 326 K HN 0.596 nan 8.250 nan 0.000 0.474 327 I N 2.320 122.914 120.570 0.041 0.000 2.359 327 I HA 0.485 4.656 4.170 0.001 0.000 0.294 327 I C 0.193 176.364 176.117 0.090 0.000 0.987 327 I CA -0.898 60.457 61.300 0.092 0.000 1.225 327 I CB 1.456 39.497 38.000 0.068 0.000 1.366 327 I HN 0.710 nan 8.210 nan 0.000 0.466 328 K N 6.517 126.985 120.400 0.113 0.000 2.565 328 K HA 0.493 4.814 4.320 0.001 0.000 0.249 328 K C -1.518 175.138 176.600 0.093 0.000 0.958 328 K CA -0.587 55.753 56.287 0.087 0.000 0.806 328 K CB 1.969 34.513 32.500 0.074 0.000 1.194 328 K HN 0.343 nan 8.250 nan 0.000 0.434 329 I N 5.658 126.278 120.570 0.083 0.000 2.321 329 I HA 0.322 4.493 4.170 0.001 0.000 0.291 329 I C -0.094 176.062 176.117 0.065 0.000 0.998 329 I CA -0.929 60.421 61.300 0.082 0.000 1.227 329 I CB 0.886 38.940 38.000 0.090 0.000 1.368 329 I HN 0.477 nan 8.210 nan 0.000 0.466 330 I N 5.530 126.135 120.570 0.059 0.000 2.321 330 I HA 0.483 4.654 4.170 0.001 0.000 0.291 330 I C 0.519 176.665 176.117 0.047 0.000 0.998 330 I CA -0.073 61.255 61.300 0.047 0.000 1.227 330 I CB 1.643 39.666 38.000 0.038 0.000 1.368 330 I HN 0.668 nan 8.210 nan 0.000 0.466 331 A N 7.664 130.511 122.820 0.045 0.000 2.938 331 A HA 0.705 5.026 4.320 0.001 0.000 0.344 331 A C -2.429 175.176 177.584 0.034 0.000 1.142 331 A CA -1.375 50.689 52.037 0.044 0.000 0.841 331 A CB -0.550 18.483 19.000 0.054 0.000 1.083 331 A HN 0.433 nan 8.150 nan 0.000 0.479 332 P HA 0.112 nan 4.420 nan 0.000 0.266 332 P C -1.913 175.402 177.300 0.024 0.000 1.193 332 P CA -0.734 62.382 63.100 0.026 0.000 0.770 332 P CB 0.519 32.236 31.700 0.028 0.000 0.836 333 P HA -0.098 nan 4.420 nan 0.000 0.225 333 P C 0.476 177.788 177.300 0.020 0.000 1.156 333 P CA 1.128 64.240 63.100 0.020 0.000 0.787 333 P CB -0.079 31.634 31.700 0.022 0.000 0.802 334 E N 0.349 120.571 120.200 0.036 0.000 2.403 334 E HA 0.011 4.362 4.350 0.001 0.000 0.187 334 E C 1.585 178.213 176.600 0.048 0.000 1.073 334 E CA -0.271 56.165 56.400 0.061 0.000 0.888 334 E CB -0.508 29.248 29.700 0.094 0.000 1.035 334 E HN 0.325 nan 8.360 nan 0.000 0.471 335 R N 1.516 122.021 120.500 0.009 0.000 2.280 335 R HA -0.010 4.331 4.340 0.001 0.000 0.207 335 R C 1.877 178.146 176.300 -0.052 0.000 1.043 335 R CA 0.699 56.801 56.100 0.003 0.000 1.006 335 R CB -0.202 30.102 30.300 0.007 0.000 0.885 335 R HN 0.032 nan 8.270 nan 0.000 0.467 336 K N 0.447 120.749 120.400 -0.163 0.000 2.147 336 K HA -0.139 4.181 4.320 0.001 0.000 0.205 336 K C 0.159 176.515 176.600 -0.407 0.000 1.049 336 K CA 1.155 57.223 56.287 -0.365 0.000 0.936 336 K CB 0.119 32.256 32.500 -0.604 0.000 0.722 336 K HN 0.301 nan 8.250 nan 0.000 0.446 337 Y N -0.123 120.204 120.300 0.044 0.000 2.660 337 Y HA 0.117 4.668 4.550 0.001 0.000 0.254 337 Y C 1.805 177.796 175.900 0.152 0.000 1.176 337 Y CA -0.200 57.954 58.100 0.090 0.000 1.195 337 Y CB 0.336 38.832 38.460 0.059 0.000 1.190 337 Y HN 0.096 nan 8.280 nan 0.000 0.535 338 S N -1.628 114.195 115.700 0.205 0.000 2.399 338 S HA -0.156 4.315 4.470 0.001 0.000 0.231 338 S C 1.937 176.632 174.600 0.157 0.000 1.022 338 S CA 1.379 59.675 58.200 0.161 0.000 0.983 338 S CB -0.934 62.322 63.200 0.094 0.000 0.803 338 S HN 0.177 nan 8.310 nan 0.000 0.480 339 V N 0.462 120.473 119.914 0.161 0.000 2.255 339 V HA -0.189 3.932 4.120 0.001 0.000 0.247 339 V C 2.191 178.370 176.094 0.142 0.000 1.051 339 V CA 2.216 64.595 62.300 0.133 0.000 1.018 339 V CB -1.047 30.857 31.823 0.134 0.000 0.641 339 V HN 0.747 nan 8.190 nan 0.000 0.445 340 W N 0.304 121.650 121.300 0.077 0.000 2.379 340 W HA -0.148 4.513 4.660 0.001 0.000 0.307 340 W C 2.288 178.830 176.519 0.038 0.000 1.200 340 W CA 1.792 59.166 57.345 0.049 0.000 1.297 340 W CB -0.235 29.246 29.460 0.035 0.000 1.140 340 W HN 0.171 nan 8.180 nan 0.000 0.507 341 I N 0.683 121.492 120.570 0.398 0.000 2.248 341 I HA -0.280 3.890 4.170 0.001 0.000 0.248 341 I C 2.626 178.737 176.117 -0.011 0.000 1.107 341 I CA 1.621 63.063 61.300 0.236 0.000 1.373 341 I CB -1.253 36.906 38.000 0.264 0.000 1.055 341 I HN 0.199 nan 8.210 nan 0.000 0.418 342 G N 0.466 109.266 108.800 0.001 0.000 2.446 342 G HA2 -0.210 3.751 3.960 0.001 0.000 0.217 342 G HA3 -0.210 3.751 3.960 0.001 0.000 0.217 342 G C 1.737 176.539 174.900 -0.162 0.000 1.168 342 G CA 0.846 45.933 45.100 -0.022 0.000 0.771 342 G HN 0.501 nan 8.290 nan 0.000 0.551 343 G N 0.216 108.843 108.800 -0.287 0.000 2.442 343 G HA2 -0.195 3.766 3.960 0.001 0.000 0.219 343 G HA3 -0.195 3.766 3.960 0.001 0.000 0.219 343 G C 2.088 176.696 174.900 -0.486 0.000 1.141 343 G CA 1.625 46.477 45.100 -0.414 0.000 0.763 343 G HN 0.540 nan 8.290 nan 0.000 0.554 344 S N -0.189 115.135 115.700 -0.626 0.000 2.406 344 S HA 0.039 4.510 4.470 0.001 0.000 0.228 344 S C 2.368 176.841 174.600 -0.211 0.000 1.020 344 S CA 0.710 58.611 58.200 -0.499 0.000 0.965 344 S CB -0.206 62.623 63.200 -0.618 0.000 0.798 344 S HN 0.365 nan 8.310 nan 0.000 0.488 345 I N 0.715 121.190 120.570 -0.158 0.000 2.233 345 I HA -0.087 4.084 4.170 0.001 0.000 0.243 345 I C 2.295 178.354 176.117 -0.097 0.000 1.093 345 I CA 0.758 62.023 61.300 -0.059 0.000 1.380 345 I CB -0.276 37.729 38.000 0.008 0.000 1.067 345 I HN 0.316 nan 8.210 nan 0.000 0.413 346 L N 1.121 122.202 121.223 -0.236 0.000 2.005 346 L HA -0.131 4.210 4.340 0.001 0.000 0.207 346 L C 2.602 179.079 176.870 -0.654 0.000 1.072 346 L CA 2.180 56.691 54.840 -0.549 0.000 0.744 346 L CB -0.826 40.718 42.059 -0.858 0.000 0.895 346 L HN 0.198 nan 8.230 nan 0.000 0.433 347 A N -1.422 121.106 122.820 -0.487 0.000 1.948 347 A HA -0.237 4.084 4.320 0.001 0.000 0.220 347 A C 2.328 180.025 177.584 0.188 0.000 1.177 347 A CA 2.275 54.282 52.037 -0.049 0.000 0.636 347 A CB -0.951 18.114 19.000 0.108 0.000 0.815 347 A HN 0.569 nan 8.150 nan 0.000 0.449 348 S N -0.852 114.888 115.700 0.066 0.000 2.489 348 S HA 0.177 4.648 4.470 0.001 0.000 0.228 348 S C 0.651 175.313 174.600 0.104 0.000 0.995 348 S CA -0.173 58.088 58.200 0.102 0.000 0.934 348 S CB -0.327 62.908 63.200 0.059 0.000 0.771 348 S HN 0.466 nan 8.310 nan 0.000 0.522 349 L N 2.789 124.062 121.223 0.084 0.000 2.455 349 L HA 0.044 4.385 4.340 0.001 0.000 0.272 349 L C 1.581 178.531 176.870 0.133 0.000 1.174 349 L CA -0.339 54.558 54.840 0.096 0.000 0.869 349 L CB 0.849 42.954 42.059 0.078 0.000 1.130 349 L HN 0.286 nan 8.230 nan 0.000 0.474 350 S N -0.643 115.112 115.700 0.092 0.000 2.461 350 S HA -0.137 4.334 4.470 0.001 0.000 0.228 350 S C 1.696 176.326 174.600 0.049 0.000 1.005 350 S CA 0.791 59.037 58.200 0.077 0.000 0.942 350 S CB -0.307 62.925 63.200 0.054 0.000 0.776 350 S HN 0.859 nan 8.310 nan 0.000 0.514 351 T N -1.523 113.060 114.554 0.048 0.000 3.023 351 T HA 0.090 4.441 4.350 0.001 0.000 0.266 351 T C 1.237 175.933 174.700 -0.005 0.000 1.093 351 T CA 0.362 62.473 62.100 0.018 0.000 1.129 351 T CB -0.689 68.193 68.868 0.023 0.000 0.899 351 T HN 0.402 nan 8.240 nan 0.000 0.491 352 F N 1.639 121.496 119.950 -0.154 0.000 2.789 352 F HA 0.306 4.834 4.527 0.001 0.000 0.300 352 F C 2.119 177.714 175.800 -0.341 0.000 1.132 352 F CA -0.103 57.719 58.000 -0.297 0.000 1.404 352 F CB -0.190 38.581 39.000 -0.383 0.000 1.114 352 F HN 0.003 nan 8.300 nan 0.000 0.584 353 Q N 0.799 120.431 119.800 -0.279 0.000 2.291 353 Q HA -0.209 4.132 4.340 0.001 0.000 0.205 353 Q C 1.830 177.705 176.000 -0.208 0.000 0.970 353 Q CA 1.580 57.283 55.803 -0.167 0.000 0.876 353 Q CB -0.551 28.241 28.738 0.091 0.000 0.935 353 Q HN 0.706 nan 8.270 nan 0.000 0.455 354 Q N -0.980 118.661 119.800 -0.266 0.000 2.436 354 Q HA 0.045 4.386 4.340 0.001 0.000 0.209 354 Q C 1.635 177.472 176.000 -0.272 0.000 0.965 354 Q CA 0.662 56.353 55.803 -0.186 0.000 0.910 354 Q CB -0.056 28.608 28.738 -0.122 0.000 0.980 354 Q HN 0.215 nan 8.270 nan 0.000 0.491 355 M N -0.618 118.609 119.600 -0.621 0.000 2.435 355 M HA 0.059 4.539 4.480 0.001 0.000 0.265 355 M C -0.072 175.954 176.300 -0.457 0.000 1.104 355 M CA 0.196 55.101 55.300 -0.657 0.000 1.140 355 M CB -0.477 31.427 32.600 -1.159 0.000 1.372 355 M HN 0.211 nan 8.290 nan 0.000 0.456 356 W N 2.122 123.147 121.300 -0.459 0.000 2.391 356 W HA -0.005 4.656 4.660 0.002 0.000 0.339 356 W C 0.085 176.617 176.519 0.021 0.000 1.252 356 W CA -0.298 56.964 57.345 -0.139 0.000 1.304 356 W CB -0.109 29.279 29.460 -0.120 0.000 1.179 356 W HN 0.053 nan 8.180 nan 0.000 0.567 357 I N 4.666 125.497 120.570 0.436 0.000 2.291 357 I HA 0.057 4.228 4.170 0.001 0.000 0.292 357 I C 0.769 177.093 176.117 0.345 0.000 1.064 357 I CA -0.413 61.086 61.300 0.332 0.000 1.269 357 I CB 0.093 38.305 38.000 0.353 0.000 1.418 357 I HN 0.351 nan 8.210 nan 0.000 0.485 358 S N 4.532 120.343 115.700 0.185 0.000 2.614 358 S HA 0.329 4.800 4.470 0.001 0.000 0.265 358 S C 1.457 176.052 174.600 -0.009 0.000 1.303 358 S CA -0.125 58.147 58.200 0.120 0.000 1.000 358 S CB 1.398 64.631 63.200 0.054 0.000 0.935 358 S HN 0.669 nan 8.310 nan 0.000 0.551 359 K N 0.752 121.152 120.400 -0.000 0.000 2.152 359 K HA -0.174 4.147 4.320 0.001 0.000 0.206 359 K C 2.135 178.642 176.600 -0.156 0.000 1.048 359 K CA 2.226 58.427 56.287 -0.143 0.000 0.933 359 K CB -1.535 nan 32.500 nan 0.000 0.721 359 K HN 0.890 nan 8.250 nan 0.000 0.447 360 Q N -0.410 119.342 119.800 -0.079 0.000 2.046 360 Q HA -0.125 4.216 4.340 0.001 0.000 0.200 360 Q C 2.270 178.223 176.000 -0.079 0.000 0.975 360 Q CA 1.391 57.157 55.803 -0.063 0.000 0.836 360 Q CB -0.141 28.575 28.738 -0.037 0.000 0.896 360 Q HN 0.737 nan 8.270 nan 0.000 0.428 361 E N 0.452 120.608 120.200 -0.074 0.000 2.070 361 E HA -0.255 4.096 4.350 0.001 0.000 0.197 361 E C 1.678 178.211 176.600 -0.111 0.000 1.004 361 E CA 1.448 57.808 56.400 -0.067 0.000 0.805 361 E CB -0.212 29.475 29.700 -0.021 0.000 0.744 361 E HN 0.458 nan 8.360 nan 0.000 0.451 362 Y N 1.094 121.188 120.300 -0.343 0.000 2.163 362 Y HA -0.195 4.356 4.550 0.001 0.000 0.288 362 Y C 1.664 177.413 175.900 -0.251 0.000 1.136 362 Y CA 1.932 59.792 58.100 -0.400 0.000 1.147 362 Y CB -0.066 37.843 38.460 -0.919 0.000 0.987 362 Y HN 0.050 nan 8.280 nan 0.000 0.509 363 D N 0.089 120.406 120.400 -0.137 0.000 2.263 363 D HA -0.149 4.492 4.640 0.001 0.000 0.208 363 D C 1.766 177.968 176.300 -0.163 0.000 0.971 363 D CA 1.468 55.393 54.000 -0.125 0.000 0.867 363 D CB -0.088 40.685 40.800 -0.044 0.000 0.929 363 D HN 0.613 nan 8.370 nan 0.000 0.492 364 E N -0.435 119.671 120.200 -0.157 0.000 2.102 364 E HA 0.072 4.423 4.350 0.001 0.000 0.190 364 E C 1.891 178.398 176.600 -0.154 0.000 0.971 364 E CA 0.939 57.263 56.400 -0.127 0.000 0.821 364 E CB 0.136 29.783 29.700 -0.088 0.000 0.777 364 E HN 0.233 nan 8.360 nan 0.000 0.460 365 S N 0.469 116.050 115.700 -0.199 0.000 2.559 365 S HA 0.408 4.879 4.470 0.001 0.000 0.226 365 S C 0.945 175.383 174.600 -0.271 0.000 1.000 365 S CA 0.432 58.521 58.200 -0.184 0.000 0.948 365 S CB 0.401 63.529 63.200 -0.120 0.000 0.870 365 S HN 0.266 nan 8.310 nan 0.000 0.497 366 G N 1.210 109.712 108.800 -0.497 0.000 2.645 366 G HA2 -0.173 3.787 3.960 0.001 0.000 0.246 366 G HA3 -0.173 3.787 3.960 0.001 0.000 0.246 366 G C -1.961 172.601 174.900 -0.562 0.000 1.322 366 G CA 0.002 44.697 45.100 -0.676 0.000 0.898 366 G HN 0.159 nan 8.290 nan 0.000 0.573 367 P HA 0.076 nan 4.420 nan 0.000 0.222 367 P C 1.841 179.127 177.300 -0.024 0.000 1.147 367 P CA 1.736 64.888 63.100 0.087 0.000 0.790 367 P CB -0.032 31.728 31.700 0.101 0.000 0.780 368 S N -0.962 114.685 115.700 -0.089 0.000 2.507 368 S HA -0.105 4.366 4.470 0.001 0.000 0.235 368 S C 2.189 176.673 174.600 -0.194 0.000 0.988 368 S CA 1.135 59.259 58.200 -0.128 0.000 0.944 368 S CB -1.485 61.702 63.200 -0.021 0.000 0.762 368 S HN 0.189 nan 8.310 nan 0.000 0.526 369 I N 0.812 121.311 120.570 -0.118 0.000 2.315 369 I HA -0.030 4.141 4.170 0.001 0.000 0.251 369 I C 1.694 177.762 176.117 -0.081 0.000 1.125 369 I CA 1.285 62.546 61.300 -0.065 0.000 1.392 369 I CB -1.101 36.899 38.000 -0.001 0.000 1.065 369 I HN 0.295 nan 8.210 nan 0.000 0.424 370 V N 0.161 119.967 119.914 -0.180 0.000 3.815 370 V HA 0.534 4.655 4.120 0.001 0.000 0.269 370 V C 0.658 176.576 176.094 -0.293 0.000 0.928 370 V CA 0.297 62.483 62.300 -0.189 0.000 0.912 370 V CB 0.988 32.733 31.823 -0.130 0.000 1.227 370 V HN 0.883 nan 8.190 nan 0.000 0.404 371 H N 0.000 119.077 119.070 0.012 0.000 2.539 371 H HA 0.000 4.557 4.556 0.001 0.000 0.296 371 H CA 0.000 56.054 56.048 0.010 0.000 1.023 371 H CB 0.000 29.775 29.762 0.022 0.000 1.292 371 H HN 0.000 nan 8.280 nan 0.000 0.496