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 2hgx_1_A DATA FIRST_RESID 3 DATA SEQUENCE SSFKAADLQL EMTQKPHKKP GPGEPLVFGK TFTDHMLMVE WNDKGWGQPR DATA SEQUENCE IQPFQNLTLH PASSSLHYSL QLFEGMKAFK GKDQQVRLFR PWLNMDRMLR DATA SEQUENCE SAMRLCLPSF DKLELLECIR RLIEVDKDWV PDAAGTSLYV RPVLIGNEPS DATA SEQUENCE LGVSQPRRAL LFVILCPVGA XXXXXXVTPV SLLADPAFIR AWVGGVGNYK DATA SEQUENCE LGGNYGPTVL VQQEALKRGC EQVLWLYGPD HQLTEVGTMN IFVYWTHEDG DATA SEQUENCE VLELVTPPLN GVILPGVVRQ SLLDMAQTWG EFRVVERTIT MKQLLRALEE DATA SEQUENCE GRVREVFGSG TAAQVCPVHR ILYKDRNLHI PTMENGPELI LRFQKELKEI DATA SEQUENCE QYGIRAHEWM FPV 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 3 S HA 0.000 nan 4.470 nan 0.000 0.327 3 S C 0.000 174.784 174.600 0.307 0.000 1.055 3 S CA 0.000 58.324 58.200 0.206 0.000 1.107 3 S CB 0.000 63.267 63.200 0.111 0.000 0.593 4 S N 0.980 116.813 115.700 0.222 0.000 2.607 4 S HA 0.752 5.250 4.470 0.045 0.000 0.273 4 S C -1.432 173.177 174.600 0.015 0.000 1.148 4 S CA -0.951 57.297 58.200 0.080 0.000 0.833 4 S CB 0.697 63.791 63.200 -0.176 0.000 1.130 4 S HN 0.394 nan 8.310 nan 0.000 0.470 5 F N 1.391 121.213 119.950 -0.214 0.000 2.418 5 F HA 0.805 5.359 4.527 0.045 0.000 0.341 5 F C -0.026 175.715 175.800 -0.098 0.000 1.120 5 F CA -0.527 57.397 58.000 -0.126 0.000 1.232 5 F CB 0.258 39.109 39.000 -0.248 0.000 1.175 5 F HN 0.328 nan 8.300 nan 0.000 0.569 6 K N 1.543 122.025 120.400 0.137 0.000 2.207 6 K HA 0.627 4.974 4.320 0.045 0.000 0.255 6 K C 0.409 177.078 176.600 0.114 0.000 0.941 6 K CA -0.286 56.034 56.287 0.054 0.000 0.825 6 K CB 1.853 34.380 32.500 0.044 0.000 1.119 6 K HN 0.706 nan 8.250 nan 0.000 0.430 7 A N 1.816 124.680 122.820 0.072 0.000 2.119 7 A HA -0.024 4.323 4.320 0.045 0.000 0.217 7 A C 1.736 179.355 177.584 0.058 0.000 1.153 7 A CA 1.727 53.812 52.037 0.079 0.000 0.692 7 A CB -0.553 18.483 19.000 0.060 0.000 0.799 7 A HN 0.704 nan 8.150 nan 0.000 0.458 8 A N -0.290 122.559 122.820 0.049 0.000 2.067 8 A HA -0.019 4.328 4.320 0.045 0.000 0.217 8 A C 1.158 178.769 177.584 0.045 0.000 1.156 8 A CA 1.346 53.408 52.037 0.041 0.000 0.683 8 A CB -0.169 18.852 19.000 0.034 0.000 0.808 8 A HN 0.361 nan 8.150 nan 0.000 0.455 9 D N -0.570 119.866 120.400 0.059 0.000 2.342 9 D HA 0.157 4.824 4.640 0.045 0.000 0.221 9 D C -0.003 176.331 176.300 0.056 0.000 1.101 9 D CA -0.221 53.815 54.000 0.061 0.000 0.837 9 D CB -0.037 40.812 40.800 0.082 0.000 0.938 9 D HN 0.285 nan 8.370 nan 0.000 0.508 10 L N 1.699 122.951 121.223 0.050 0.000 2.534 10 L HA 0.010 4.377 4.340 0.045 0.000 0.271 10 L C 0.334 177.217 176.870 0.021 0.000 1.178 10 L CA 0.404 55.265 54.840 0.035 0.000 0.907 10 L CB 0.392 42.470 42.059 0.031 0.000 1.164 10 L HN -0.076 nan 8.230 nan 0.000 0.482 11 Q N 5.049 124.857 119.800 0.014 0.000 2.274 11 Q HA 0.439 4.806 4.340 0.045 0.000 0.256 11 Q C -1.482 174.520 176.000 0.004 0.000 0.927 11 Q CA -0.478 55.331 55.803 0.010 0.000 0.939 11 Q CB 0.755 29.499 28.738 0.010 0.000 1.201 11 Q HN 0.684 nan 8.270 nan 0.000 0.426 12 L N 4.102 125.327 121.223 0.004 0.000 2.298 12 L HA 0.466 4.833 4.340 0.045 0.000 0.284 12 L C -0.443 176.433 176.870 0.010 0.000 1.013 12 L CA -0.339 54.500 54.840 -0.003 0.000 0.824 12 L CB 1.568 43.620 42.059 -0.011 0.000 1.221 12 L HN 0.678 nan 8.230 nan 0.000 0.418 13 E N 4.358 124.574 120.200 0.025 0.000 2.402 13 E HA 0.308 4.685 4.350 0.045 0.000 0.244 13 E C -0.717 175.948 176.600 0.108 0.000 0.945 13 E CA -0.725 55.706 56.400 0.050 0.000 0.774 13 E CB 0.916 30.641 29.700 0.042 0.000 1.296 13 E HN 0.444 nan 8.360 nan 0.000 0.414 14 M N 1.620 121.282 119.600 0.103 0.000 2.243 14 M HA 0.117 4.624 4.480 0.045 0.000 0.341 14 M C 0.696 177.139 176.300 0.238 0.000 1.130 14 M CA 0.139 55.566 55.300 0.211 0.000 1.162 14 M CB 0.835 33.499 32.600 0.107 0.000 1.497 14 M HN 0.368 nan 8.290 nan 0.000 0.456 15 T N 2.529 117.290 114.554 0.344 0.000 2.907 15 T HA 0.215 4.592 4.350 0.045 0.000 0.298 15 T C -0.318 174.409 174.700 0.046 0.000 1.017 15 T CA -0.143 61.984 62.100 0.046 0.000 1.118 15 T CB 0.399 69.131 68.868 -0.227 0.000 0.948 15 T HN 0.547 nan 8.240 nan 0.000 0.531 16 Q N 2.594 122.402 119.800 0.013 0.000 2.333 16 Q HA 0.415 4.783 4.340 0.045 0.000 0.267 16 Q C -0.786 175.219 176.000 0.009 0.000 1.012 16 Q CA -0.836 54.980 55.803 0.021 0.000 0.824 16 Q CB 1.535 30.286 28.738 0.022 0.000 1.290 16 Q HN 0.715 nan 8.270 nan 0.000 0.449 17 K N 1.201 121.615 120.400 0.023 0.000 4.278 17 K HA -0.119 4.228 4.320 0.045 0.000 0.306 17 K C -2.636 173.982 176.600 0.031 0.000 1.041 17 K CA -0.240 56.071 56.287 0.040 0.000 0.957 17 K CB -1.163 31.370 32.500 0.054 0.000 1.522 17 K HN 0.422 nan 8.250 nan 0.000 0.437 18 P HA 0.131 nan 4.420 nan 0.000 0.274 18 P C -0.257 177.141 177.300 0.164 0.000 1.246 18 P CA -0.286 62.824 63.100 0.017 0.000 0.795 18 P CB 0.491 32.235 31.700 0.073 0.000 1.006 19 H N -0.286 118.886 119.070 0.169 0.000 2.488 19 H HA 0.307 4.889 4.556 0.043 0.000 0.347 19 H C 0.198 175.608 175.328 0.137 0.000 1.174 19 H CA -0.452 55.698 56.048 0.171 0.000 1.307 19 H CB 0.499 30.390 29.762 0.215 0.000 1.517 19 H HN 0.226 nan 8.280 nan 0.000 0.554 20 K N 2.068 122.584 120.400 0.193 0.000 2.383 20 K HA 0.112 4.459 4.320 0.045 0.000 0.286 20 K C 0.044 176.608 176.600 -0.059 0.000 1.051 20 K CA -0.085 56.216 56.287 0.024 0.000 0.974 20 K CB 0.694 33.198 32.500 0.007 0.000 0.968 20 K HN 0.336 nan 8.250 nan 0.000 0.475 21 K N 4.487 124.688 120.400 -0.332 0.000 2.322 21 K HA 0.159 4.506 4.320 0.045 0.000 0.283 21 K C -1.765 174.697 176.600 -0.230 0.000 1.042 21 K CA -1.359 54.586 56.287 -0.571 0.000 0.958 21 K CB 0.222 32.217 32.500 -0.841 0.000 0.984 21 K HN 0.475 nan 8.250 nan 0.000 0.473 22 P HA 0.267 nan 4.420 nan 0.000 0.276 22 P C -0.414 176.850 177.300 -0.060 0.000 1.252 22 P CA -0.515 62.556 63.100 -0.050 0.000 0.802 22 P CB 1.334 33.036 31.700 0.003 0.000 1.035 23 G N -0.075 108.700 108.800 -0.042 0.000 2.798 23 G HA2 0.496 4.483 3.960 0.045 0.000 0.286 23 G HA3 0.496 4.483 3.960 0.045 0.000 0.286 23 G C -2.564 172.324 174.900 -0.020 0.000 1.389 23 G CA -1.096 43.983 45.100 -0.035 0.000 0.894 23 G HN 0.194 nan 8.290 nan 0.000 0.488 24 P HA 0.142 nan 4.420 nan 0.000 0.269 24 P C 1.277 178.571 177.300 -0.010 0.000 1.376 24 P CA 0.652 63.747 63.100 -0.008 0.000 0.775 24 P CB 0.294 31.991 31.700 -0.005 0.000 1.345 25 G N -0.455 108.338 108.800 -0.013 0.000 2.494 25 G HA2 -0.088 3.899 3.960 0.045 0.000 0.216 25 G HA3 -0.088 3.899 3.960 0.045 0.000 0.216 25 G C 0.385 175.279 174.900 -0.010 0.000 1.140 25 G CA 0.143 45.236 45.100 -0.013 0.000 0.801 25 G HN 0.308 nan 8.290 nan 0.000 0.536 26 E N 0.698 120.892 120.200 -0.010 0.000 2.432 26 E HA 0.286 4.663 4.350 0.045 0.000 0.272 26 E C -2.902 173.694 176.600 -0.008 0.000 0.937 26 E CA -1.676 54.719 56.400 -0.009 0.000 0.812 26 E CB 2.181 31.875 29.700 -0.010 0.000 1.377 26 E HN -0.046 nan 8.360 nan 0.000 0.399 27 P HA 0.061 nan 4.420 nan 0.000 0.269 27 P C -0.620 176.679 177.300 -0.003 0.000 1.263 27 P CA -0.325 62.776 63.100 0.000 0.000 0.813 27 P CB -0.005 31.698 31.700 0.005 0.000 0.868 28 L N 2.954 124.171 121.223 -0.010 0.000 2.483 28 L HA 0.173 4.540 4.340 0.045 0.000 0.276 28 L C 0.270 177.129 176.870 -0.017 0.000 1.213 28 L CA -0.250 54.575 54.840 -0.026 0.000 0.843 28 L CB -0.591 41.438 42.059 -0.050 0.000 1.107 28 L HN 0.048 nan 8.230 nan 0.000 0.487 29 V N 1.715 121.613 119.914 -0.027 0.000 2.834 29 V HA 0.168 4.315 4.120 0.045 0.000 0.301 29 V C 0.332 176.416 176.094 -0.017 0.000 1.066 29 V CA -0.525 61.777 62.300 0.003 0.000 1.052 29 V CB 0.812 32.637 31.823 0.003 0.000 1.021 29 V HN 0.665 nan 8.190 nan 0.000 0.480 30 F N 3.243 123.127 119.950 -0.109 0.000 2.590 30 F HA 0.429 4.935 4.527 -0.036 0.000 0.389 30 F C 1.311 176.999 175.800 -0.186 0.000 1.049 30 F CA 0.940 58.844 58.000 -0.160 0.000 1.199 30 F CB -0.012 38.888 39.000 -0.167 0.000 1.058 30 F HN 0.869 nan 8.300 nan 0.000 0.556 31 G N 5.058 113.305 108.800 -0.922 0.000 2.283 31 G HA2 -0.354 3.633 3.960 0.045 0.000 0.280 31 G HA3 -0.354 3.633 3.960 0.045 0.000 0.280 31 G C 0.875 175.470 174.900 -0.507 0.000 1.029 31 G CA 0.622 45.271 45.100 -0.752 0.000 0.840 31 G HN 0.746 nan 8.290 nan 0.000 0.505 32 K N -1.058 119.035 120.400 -0.511 0.000 2.391 32 K HA 0.104 4.451 4.320 0.045 0.000 0.197 32 K C 0.466 176.712 176.600 -0.591 0.000 1.087 32 K CA 0.646 56.713 56.287 -0.368 0.000 1.012 32 K CB 0.690 33.105 32.500 -0.142 0.000 0.925 32 K HN 0.351 nan 8.250 nan 0.000 0.547 33 T N 1.315 115.399 114.554 -0.783 0.000 2.779 33 T HA 0.475 4.853 4.350 0.045 0.000 0.280 33 T C -0.630 173.463 174.700 -1.012 0.000 0.987 33 T CA -0.439 61.290 62.100 -0.618 0.000 0.966 33 T CB 0.667 69.385 68.868 -0.250 0.000 0.933 33 T HN -0.151 nan 8.240 nan 0.000 0.442 34 F N 1.177 120.902 119.950 -0.375 0.000 2.556 34 F HA 0.590 5.163 4.527 0.078 0.000 0.327 34 F C 1.326 176.528 175.800 -0.997 0.000 1.059 34 F CA -1.133 56.469 58.000 -0.664 0.000 0.953 34 F CB 1.275 39.652 39.000 -1.040 0.000 1.227 34 F HN 0.550 nan 8.300 nan 0.000 0.478 35 T N -2.962 111.029 114.554 -0.937 0.000 2.770 35 T HA 0.152 4.529 4.350 0.045 0.000 0.281 35 T C 0.594 174.706 174.700 -0.980 0.000 0.981 35 T CA -0.576 60.578 62.100 -1.578 0.000 0.955 35 T CB 0.729 68.894 68.868 -1.172 0.000 1.060 35 T HN 0.498 nan 8.240 nan 0.000 0.531 36 D N 0.027 119.958 120.400 -0.781 0.000 2.178 36 D HA 0.038 4.705 4.640 0.045 0.000 0.202 36 D C 0.431 176.486 176.300 -0.409 0.000 0.974 36 D CA 1.391 55.169 54.000 -0.370 0.000 0.841 36 D CB -0.106 40.631 40.800 -0.105 0.000 0.953 36 D HN 0.661 nan 8.370 nan 0.000 0.478 37 H N -1.519 117.514 119.070 -0.062 0.000 2.797 37 H HA 0.574 5.157 4.556 0.044 0.000 0.362 37 H C 0.135 175.511 175.328 0.081 0.000 1.183 37 H CA -0.879 55.184 56.048 0.025 0.000 1.197 37 H CB 1.765 31.530 29.762 0.006 0.000 1.835 37 H HN -0.176 nan 8.280 nan 0.000 0.567 38 M N 0.590 120.305 119.600 0.192 0.000 2.569 38 M HA 0.504 5.011 4.480 0.045 0.000 0.279 38 M C -1.927 174.410 176.300 0.062 0.000 1.253 38 M CA -1.236 54.135 55.300 0.118 0.000 0.867 38 M CB 2.446 35.063 32.600 0.028 0.000 1.727 38 M HN 0.408 nan 8.290 nan 0.000 0.467 39 L N 2.283 123.532 121.223 0.044 0.000 2.322 39 L HA 0.832 5.199 4.340 0.045 0.000 0.279 39 L C -1.334 175.536 176.870 -0.001 0.000 1.036 39 L CA -0.169 54.669 54.840 -0.003 0.000 0.807 39 L CB 1.887 43.924 42.059 -0.036 0.000 1.226 39 L HN 0.949 nan 8.230 nan 0.000 0.433 40 M N 4.750 124.322 119.600 -0.046 0.000 2.277 40 M HA 0.660 5.167 4.480 0.045 0.000 0.282 40 M C -1.955 174.289 176.300 -0.093 0.000 1.074 40 M CA -0.258 55.022 55.300 -0.034 0.000 0.954 40 M CB 1.943 34.517 32.600 -0.042 0.000 1.672 40 M HN 0.251 nan 8.290 nan 0.000 0.471 41 V N 3.133 122.994 119.914 -0.088 0.000 2.623 41 V HA 0.560 4.708 4.120 0.045 0.000 0.304 41 V C -0.870 175.330 176.094 0.178 0.000 1.054 41 V CA -0.806 61.433 62.300 -0.101 0.000 0.882 41 V CB 1.895 33.356 31.823 -0.603 0.000 1.002 41 V HN 0.823 nan 8.190 nan 0.000 0.424 42 E N 2.733 123.058 120.200 0.209 0.000 2.204 42 E HA 0.520 4.897 4.350 0.045 0.000 0.276 42 E C -1.471 175.281 176.600 0.253 0.000 0.974 42 E CA -0.470 56.052 56.400 0.203 0.000 0.815 42 E CB 2.449 32.202 29.700 0.088 0.000 1.119 42 E HN 0.679 nan 8.360 nan 0.000 0.393 43 W N 3.186 124.395 121.300 -0.152 0.000 2.761 43 W HA 0.374 5.061 4.660 0.046 0.000 0.340 43 W C -1.077 175.286 176.519 -0.260 0.000 1.072 43 W CA -0.346 56.745 57.345 -0.422 0.000 1.215 43 W CB 1.160 29.983 29.460 -1.061 0.000 1.420 43 W HN 0.655 nan 8.180 nan 0.000 0.519 44 N N 0.636 118.700 118.700 -1.060 0.000 2.774 44 N HA 0.295 5.062 4.740 0.045 0.000 0.264 44 N C 0.035 174.579 175.510 -1.610 0.000 1.415 44 N CA -0.296 52.156 53.050 -0.998 0.000 0.815 44 N CB 1.076 39.275 38.487 -0.479 0.000 1.514 44 N HN 0.407 nan 8.380 nan 0.000 0.523 45 D N -0.542 119.253 120.400 -1.008 0.000 2.221 45 D HA -0.189 4.478 4.640 0.045 0.000 0.204 45 D C 0.809 176.823 176.300 -0.477 0.000 0.982 45 D CA 1.334 54.897 54.000 -0.729 0.000 0.857 45 D CB -0.011 40.583 40.800 -0.344 0.000 0.934 45 D HN 0.513 nan 8.370 nan 0.000 0.475 46 K N -0.415 119.734 120.400 -0.419 0.000 2.459 46 K HA 0.361 4.709 4.320 0.045 0.000 0.193 46 K C 0.660 177.151 176.600 -0.182 0.000 1.030 46 K CA 0.430 56.581 56.287 -0.226 0.000 1.026 46 K CB 0.855 33.259 32.500 -0.160 0.000 0.809 46 K HN 0.345 nan 8.250 nan 0.000 0.504 47 G N -0.527 108.054 108.800 -0.365 0.000 2.343 47 G HA2 -0.122 3.866 3.960 0.045 0.000 0.465 47 G HA3 -0.122 3.866 3.960 0.045 0.000 0.465 47 G C -1.677 173.164 174.900 -0.098 0.000 1.282 47 G CA -1.186 43.847 45.100 -0.111 0.000 0.996 47 G HN 0.114 nan 8.290 nan 0.000 0.521 48 W N 0.593 122.076 121.300 0.306 0.000 2.202 48 W HA 0.523 5.210 4.660 0.045 0.000 0.332 48 W C 1.145 177.765 176.519 0.170 0.000 1.263 48 W CA 0.899 58.454 57.345 0.351 0.000 1.223 48 W CB 1.123 30.879 29.460 0.494 0.000 1.128 48 W HN 0.880 nan 8.180 nan 0.000 0.573 49 G N 0.714 109.758 108.800 0.407 0.000 2.510 49 G HA2 0.210 4.197 3.960 0.045 0.000 0.280 49 G HA3 0.210 4.197 3.960 0.045 0.000 0.280 49 G C -0.997 174.028 174.900 0.208 0.000 1.386 49 G CA -0.793 44.438 45.100 0.219 0.000 1.047 49 G HN 0.456 nan 8.290 nan 0.000 0.527 50 Q N 0.944 120.814 119.800 0.117 0.000 2.304 50 Q HA 0.197 4.565 4.340 0.045 0.000 0.260 50 Q C -2.034 173.979 176.000 0.021 0.000 0.965 50 Q CA -1.415 54.437 55.803 0.082 0.000 0.898 50 Q CB 1.274 30.045 28.738 0.056 0.000 1.196 50 Q HN 0.258 nan 8.270 nan 0.000 0.402 51 P HA 0.122 nan 4.420 nan 0.000 0.276 51 P C -1.149 176.118 177.300 -0.056 0.000 1.230 51 P CA 0.101 63.126 63.100 -0.125 0.000 0.776 51 P CB 0.872 32.486 31.700 -0.142 0.000 0.888 52 R N 2.679 123.139 120.500 -0.067 0.000 2.621 52 R HA 0.620 4.987 4.340 0.045 0.000 0.292 52 R C -0.296 175.989 176.300 -0.025 0.000 0.969 52 R CA -0.946 55.135 56.100 -0.032 0.000 0.887 52 R CB 1.908 32.195 30.300 -0.023 0.000 1.180 52 R HN 0.462 nan 8.270 nan 0.000 0.450 53 I N 3.874 124.439 120.570 -0.008 0.000 2.328 53 I HA 0.157 4.355 4.170 0.045 0.000 0.287 53 I C 0.006 176.153 176.117 0.051 0.000 1.012 53 I CA -0.310 60.995 61.300 0.008 0.000 1.195 53 I CB 1.271 39.251 38.000 -0.034 0.000 1.350 53 I HN 0.566 nan 8.210 nan 0.000 0.464 54 Q N 6.730 126.581 119.800 0.085 0.000 2.484 54 Q HA 0.673 5.040 4.340 0.045 0.000 0.285 54 Q C -2.906 173.165 176.000 0.119 0.000 1.097 54 Q CA -2.393 53.465 55.803 0.091 0.000 0.802 54 Q CB 1.810 30.552 28.738 0.006 0.000 1.444 54 Q HN 0.173 nan 8.270 nan 0.000 0.429 55 P HA -0.010 nan 4.420 nan 0.000 0.269 55 P C -1.110 176.145 177.300 -0.074 0.000 1.215 55 P CA -0.104 62.929 63.100 -0.113 0.000 0.780 55 P CB 0.236 31.870 31.700 -0.111 0.000 0.898 56 F N 3.652 123.468 119.950 -0.223 0.000 2.557 56 F HA 0.064 4.623 4.527 0.053 0.000 0.384 56 F C 0.820 176.541 175.800 -0.132 0.000 1.057 56 F CA 1.059 58.959 58.000 -0.168 0.000 1.169 56 F CB -0.016 38.881 39.000 -0.171 0.000 1.070 56 F HN 0.268 nan 8.300 nan 0.000 0.554 57 Q N 4.015 123.510 119.800 -0.510 0.000 2.590 57 Q HA 0.421 4.788 4.340 0.045 0.000 0.295 57 Q C -1.408 174.298 176.000 -0.491 0.000 0.973 57 Q CA -1.389 54.210 55.803 -0.341 0.000 0.768 57 Q CB 1.073 29.690 28.738 -0.202 0.000 1.479 57 Q HN 0.432 nan 8.270 nan 0.000 0.419 58 N N 0.564 119.075 118.700 -0.314 0.000 2.482 58 N HA 0.298 5.065 4.740 0.045 0.000 0.260 58 N C -0.427 174.894 175.510 -0.314 0.000 1.236 58 N CA 0.031 52.895 53.050 -0.310 0.000 0.938 58 N CB 0.517 38.890 38.487 -0.190 0.000 1.128 58 N HN 0.436 nan 8.380 nan 0.000 0.448 59 L N 0.715 121.737 121.223 -0.334 0.000 2.375 59 L HA 0.309 4.677 4.340 0.045 0.000 0.271 59 L C 0.468 177.224 176.870 -0.190 0.000 1.107 59 L CA -0.277 54.379 54.840 -0.306 0.000 0.806 59 L CB 0.851 42.680 42.059 -0.383 0.000 1.146 59 L HN 0.331 nan 8.230 nan 0.000 0.447 60 T N 4.209 118.676 114.554 -0.144 0.000 2.893 60 T HA 0.565 4.942 4.350 0.045 0.000 0.324 60 T C -0.247 174.418 174.700 -0.058 0.000 1.082 60 T CA -0.363 61.682 62.100 -0.092 0.000 0.983 60 T CB 0.376 69.198 68.868 -0.076 0.000 1.005 60 T HN 0.263 nan 8.240 nan 0.000 0.475 61 L N 2.612 123.811 121.223 -0.040 0.000 2.346 61 L HA 0.478 4.845 4.340 0.045 0.000 0.274 61 L C 0.471 177.367 176.870 0.044 0.000 1.007 61 L CA -1.290 53.556 54.840 0.010 0.000 0.818 61 L CB 1.540 43.604 42.059 0.009 0.000 1.284 61 L HN 0.572 nan 8.230 nan 0.000 0.424 62 H N 5.077 124.141 119.070 -0.010 0.000 2.848 62 H HA 0.073 4.656 4.556 0.045 0.000 0.341 62 H C -1.715 173.624 175.328 0.017 0.000 1.060 62 H CA -1.049 54.997 56.048 -0.004 0.000 1.444 62 H CB 1.738 31.496 29.762 -0.007 0.000 1.446 62 H HN 0.374 nan 8.280 nan 0.000 0.583 63 P HA -0.078 nan 4.420 nan 0.000 0.228 63 P C 0.515 177.982 177.300 0.279 0.000 1.151 63 P CA 1.033 64.171 63.100 0.063 0.000 0.770 63 P CB 0.160 31.834 31.700 -0.042 0.000 0.786 64 A N -0.578 122.466 122.820 0.374 0.000 2.387 64 A HA 0.165 4.512 4.320 0.045 0.000 0.234 64 A C 1.112 178.686 177.584 -0.016 0.000 1.253 64 A CA -0.086 51.997 52.037 0.076 0.000 0.894 64 A CB -0.638 18.398 19.000 0.060 0.000 0.963 64 A HN 0.169 nan 8.150 nan 0.000 0.508 65 S N 1.113 116.909 115.700 0.159 0.000 2.596 65 S HA 0.067 4.564 4.470 0.045 0.000 0.298 65 S C 1.616 176.290 174.600 0.123 0.000 1.255 65 S CA 0.409 58.675 58.200 0.110 0.000 1.083 65 S CB 0.217 63.491 63.200 0.124 0.000 0.837 65 S HN 0.819 nan 8.310 nan 0.000 0.499 66 S N 3.715 119.459 115.700 0.074 0.000 2.493 66 S HA -0.141 4.356 4.470 0.045 0.000 0.243 66 S C 1.939 176.609 174.600 0.117 0.000 0.991 66 S CA 1.085 59.346 58.200 0.102 0.000 0.957 66 S CB -0.732 62.566 63.200 0.163 0.000 0.756 66 S HN 0.958 nan 8.310 nan 0.000 0.521 67 S N 1.923 117.690 115.700 0.111 0.000 2.423 67 S HA 0.113 4.610 4.470 0.045 0.000 0.231 67 S C 1.660 176.304 174.600 0.073 0.000 1.014 67 S CA 0.751 59.013 58.200 0.103 0.000 0.965 67 S CB -0.647 62.619 63.200 0.109 0.000 0.785 67 S HN 0.567 nan 8.310 nan 0.000 0.495 68 L N -0.307 120.953 121.223 0.061 0.000 2.463 68 L HA 0.263 4.630 4.340 0.045 0.000 0.219 68 L C 2.550 179.298 176.870 -0.203 0.000 1.088 68 L CA 0.494 55.309 54.840 -0.043 0.000 0.849 68 L CB -0.267 41.757 42.059 -0.059 0.000 1.012 68 L HN 0.391 nan 8.230 nan 0.000 0.468 69 H N -1.678 117.246 119.070 -0.244 0.000 2.422 69 H HA 0.109 4.692 4.556 0.046 0.000 0.303 69 H C 0.676 175.682 175.328 -0.537 0.000 1.033 69 H CA 0.870 56.614 56.048 -0.507 0.000 1.335 69 H CB 0.700 29.911 29.762 -0.918 0.000 1.458 69 H HN 0.199 nan 8.280 nan 0.000 0.556 70 Y N 0.463 120.868 120.300 0.176 0.000 2.696 70 Y HA 0.236 4.813 4.550 0.046 0.000 0.260 70 Y C 0.980 176.932 175.900 0.086 0.000 1.165 70 Y CA -0.640 57.526 58.100 0.110 0.000 1.189 70 Y CB 0.521 39.035 38.460 0.089 0.000 1.180 70 Y HN -0.030 nan 8.280 nan 0.000 0.538 71 S N 0.839 116.630 115.700 0.152 0.000 3.549 71 S HA -0.212 4.285 4.470 0.045 0.000 0.366 71 S C -0.034 174.644 174.600 0.129 0.000 1.012 71 S CA 0.069 58.346 58.200 0.128 0.000 1.141 71 S CB -1.428 61.847 63.200 0.125 0.000 0.910 71 S HN 0.484 nan 8.310 nan 0.000 0.471 72 L N 2.460 123.762 121.223 0.133 0.000 2.384 72 L HA 0.290 4.657 4.340 0.045 0.000 0.258 72 L C 0.605 177.535 176.870 0.100 0.000 1.266 72 L CA 0.128 55.033 54.840 0.108 0.000 1.162 72 L CB -0.291 41.836 42.059 0.113 0.000 1.375 72 L HN 0.577 nan 8.230 nan 0.000 0.420 73 Q N 3.190 123.052 119.800 0.103 0.000 2.353 73 Q HA 0.748 5.115 4.340 0.045 0.000 0.275 73 Q C -1.417 174.667 176.000 0.141 0.000 1.029 73 Q CA -1.100 54.773 55.803 0.117 0.000 0.848 73 Q CB 2.568 31.385 28.738 0.132 0.000 1.390 73 Q HN 0.296 nan 8.270 nan 0.000 0.401 74 L N -1.067 120.240 121.223 0.139 0.000 2.479 74 L HA 0.937 5.305 4.340 0.045 0.000 0.255 74 L C -1.243 175.744 176.870 0.195 0.000 1.026 74 L CA -0.909 54.020 54.840 0.149 0.000 0.842 74 L CB 1.806 43.894 42.059 0.049 0.000 1.444 74 L HN 0.779 nan 8.230 nan 0.000 0.409 75 F N -2.162 117.769 119.950 -0.031 0.000 2.715 75 F HA 0.953 5.507 4.527 0.045 0.000 0.318 75 F C -0.921 174.844 175.800 -0.059 0.000 1.141 75 F CA -0.594 57.357 58.000 -0.082 0.000 0.950 75 F CB 1.391 40.337 39.000 -0.091 0.000 1.374 75 F HN 0.584 nan 8.300 nan 0.000 0.477 76 E N -0.305 119.903 120.200 0.014 0.000 2.433 76 E HA 0.704 5.081 4.350 0.045 0.000 0.273 76 E C -1.332 175.283 176.600 0.025 0.000 0.950 76 E CA -0.955 55.393 56.400 -0.087 0.000 0.796 76 E CB 2.151 31.788 29.700 -0.106 0.000 1.330 76 E HN 1.086 nan 8.360 nan 0.000 0.455 77 G N 1.196 109.965 108.800 -0.052 0.000 2.668 77 G HA2 0.596 4.583 3.960 0.045 0.000 0.284 77 G HA3 0.596 4.583 3.960 0.045 0.000 0.284 77 G C -0.655 174.140 174.900 -0.175 0.000 1.456 77 G CA -0.561 44.438 45.100 -0.169 0.000 1.214 77 G HN 0.296 nan 8.290 nan 0.000 0.568 78 M N 0.448 119.831 119.600 -0.362 0.000 2.569 78 M HA 0.710 5.217 4.480 0.045 0.000 0.279 78 M C -1.525 174.657 176.300 -0.197 0.000 1.253 78 M CA -1.092 54.114 55.300 -0.156 0.000 0.867 78 M CB 2.549 35.078 32.600 -0.119 0.000 1.727 78 M HN 0.190 nan 8.290 nan 0.000 0.467 79 K N 0.996 121.359 120.400 -0.061 0.000 2.203 79 K HA 0.855 5.203 4.320 0.045 0.000 0.251 79 K C -1.188 175.240 176.600 -0.286 0.000 0.944 79 K CA -0.695 55.451 56.287 -0.236 0.000 0.829 79 K CB 2.479 34.736 32.500 -0.405 0.000 1.125 79 K HN 0.816 nan 8.250 nan 0.000 0.430 80 A N 2.967 125.545 122.820 -0.402 0.000 2.318 80 A HA 0.699 5.046 4.320 0.045 0.000 0.324 80 A C -1.270 176.051 177.584 -0.439 0.000 1.170 80 A CA -0.557 51.346 52.037 -0.223 0.000 0.810 80 A CB 0.174 19.118 19.000 -0.093 0.000 1.198 80 A HN 0.557 nan 8.150 nan 0.000 0.484 81 F N 1.077 120.995 119.950 -0.054 0.000 2.495 81 F HA 0.533 5.089 4.527 0.047 0.000 0.327 81 F C 0.436 176.218 175.800 -0.031 0.000 1.103 81 F CA -0.528 57.385 58.000 -0.146 0.000 0.949 81 F CB 2.310 41.018 39.000 -0.487 0.000 1.142 81 F HN 0.526 nan 8.300 nan 0.000 0.457 82 K N 1.782 122.327 120.400 0.242 0.000 2.265 82 K HA 0.627 4.974 4.320 0.045 0.000 0.267 82 K C 0.175 176.971 176.600 0.327 0.000 0.994 82 K CA -0.413 56.011 56.287 0.227 0.000 0.860 82 K CB 1.110 33.712 32.500 0.171 0.000 1.099 82 K HN 0.873 nan 8.250 nan 0.000 0.448 83 G N 2.345 111.297 108.800 0.253 0.000 2.563 83 G HA2 0.075 4.062 3.960 0.045 0.000 0.283 83 G HA3 0.075 4.062 3.960 0.045 0.000 0.283 83 G C 0.225 175.220 174.900 0.159 0.000 1.309 83 G CA -0.449 44.800 45.100 0.248 0.000 1.022 83 G HN 0.732 nan 8.290 nan 0.000 0.501 84 K N -0.245 120.223 120.400 0.115 0.000 2.211 84 K HA -0.077 4.271 4.320 0.045 0.000 0.203 84 K C 1.427 178.062 176.600 0.058 0.000 1.050 84 K CA 1.370 57.698 56.287 0.069 0.000 0.945 84 K CB 0.109 32.636 32.500 0.044 0.000 0.732 84 K HN 0.612 nan 8.250 nan 0.000 0.451 85 D N 0.418 120.856 120.400 0.064 0.000 2.325 85 D HA -0.082 4.586 4.640 0.045 0.000 0.234 85 D C 0.024 176.355 176.300 0.051 0.000 1.122 85 D CA 0.207 54.237 54.000 0.050 0.000 0.850 85 D CB 0.221 41.048 40.800 0.046 0.000 0.921 85 D HN -0.048 nan 8.370 nan 0.000 0.513 86 Q N -1.306 118.532 119.800 0.063 0.000 2.406 86 Q HA -0.256 4.111 4.340 0.045 0.000 0.236 86 Q C -0.152 175.887 176.000 0.065 0.000 0.799 86 Q CA 0.929 56.769 55.803 0.063 0.000 1.286 86 Q CB -2.313 26.452 28.738 0.044 0.000 1.615 86 Q HN 0.599 nan 8.270 nan 0.000 0.621 87 Q N 0.715 120.558 119.800 0.071 0.000 2.288 87 Q HA 0.453 4.820 4.340 0.045 0.000 0.258 87 Q C -0.721 175.330 176.000 0.084 0.000 0.957 87 Q CA -0.152 55.690 55.803 0.064 0.000 0.919 87 Q CB 1.145 29.918 28.738 0.057 0.000 1.185 87 Q HN 0.102 nan 8.270 nan 0.000 0.408 88 V N 5.952 125.908 119.914 0.069 0.000 2.481 88 V HA 0.564 4.711 4.120 0.045 0.000 0.286 88 V C -0.030 176.111 176.094 0.078 0.000 1.042 88 V CA -0.472 61.877 62.300 0.082 0.000 0.928 88 V CB 1.334 33.196 31.823 0.065 0.000 0.986 88 V HN 0.771 nan 8.190 nan 0.000 0.462 89 R N 4.041 124.616 120.500 0.124 0.000 2.621 89 R HA 0.630 4.997 4.340 0.045 0.000 0.284 89 R C -1.455 174.976 176.300 0.218 0.000 0.998 89 R CA -0.779 55.410 56.100 0.149 0.000 0.895 89 R CB 2.248 32.647 30.300 0.166 0.000 1.195 89 R HN 0.553 nan 8.270 nan 0.000 0.450 90 L N 2.637 123.986 121.223 0.211 0.000 2.334 90 L HA 0.407 4.774 4.340 0.045 0.000 0.277 90 L C -0.485 176.515 176.870 0.216 0.000 1.075 90 L CA -0.633 54.317 54.840 0.184 0.000 0.804 90 L CB 0.776 42.888 42.059 0.089 0.000 1.174 90 L HN 0.487 nan 8.230 nan 0.000 0.438 91 F N 4.068 124.085 119.950 0.112 0.000 2.413 91 F HA 0.279 4.837 4.527 0.052 0.000 0.359 91 F C 0.765 176.534 175.800 -0.052 0.000 1.122 91 F CA -0.646 57.408 58.000 0.090 0.000 1.160 91 F CB -0.055 39.063 39.000 0.196 0.000 1.146 91 F HN 0.443 nan 8.300 nan 0.000 0.514 92 R N 4.931 125.087 120.500 -0.573 0.000 3.118 92 R HA -0.182 4.185 4.340 0.045 0.000 0.238 92 R C -1.975 174.093 176.300 -0.387 0.000 0.884 92 R CA 0.552 56.380 56.100 -0.453 0.000 0.601 92 R CB -1.430 28.414 30.300 -0.759 0.000 1.009 92 R HN 0.536 nan 8.270 nan 0.000 0.478 93 P HA -0.194 nan 4.420 nan 0.000 0.222 93 P C 1.074 178.082 177.300 -0.487 0.000 1.147 93 P CA 1.094 63.839 63.100 -0.592 0.000 0.790 93 P CB -0.136 31.091 31.700 -0.788 0.000 0.780 94 W N 0.083 121.236 121.300 -0.245 0.000 2.374 94 W HA -0.034 4.655 4.660 0.049 0.000 0.288 94 W C 2.210 178.632 176.519 -0.161 0.000 1.218 94 W CA 0.434 57.659 57.345 -0.199 0.000 1.245 94 W CB -1.243 28.118 29.460 -0.166 0.000 1.126 94 W HN -0.019 nan 8.180 nan 0.000 0.545 95 L N 0.376 121.633 121.223 0.058 0.000 2.156 95 L HA -0.166 4.201 4.340 0.045 0.000 0.208 95 L C 2.201 179.036 176.870 -0.058 0.000 1.095 95 L CA 0.966 55.792 54.840 -0.024 0.000 0.770 95 L CB -0.776 41.234 42.059 -0.081 0.000 0.914 95 L HN -0.003 nan 8.230 nan 0.000 0.439 96 N N -0.276 118.371 118.700 -0.088 0.000 2.270 96 N HA -0.100 4.667 4.740 0.045 0.000 0.181 96 N C 1.841 177.317 175.510 -0.056 0.000 1.016 96 N CA 1.109 54.106 53.050 -0.088 0.000 0.870 96 N CB 0.034 38.449 38.487 -0.120 0.000 0.979 96 N HN 0.284 nan 8.380 nan 0.000 0.431 97 M N 1.034 120.604 119.600 -0.050 0.000 2.200 97 M HA -0.064 4.443 4.480 0.045 0.000 0.265 97 M C 1.136 177.449 176.300 0.021 0.000 1.066 97 M CA 1.124 56.436 55.300 0.020 0.000 1.127 97 M CB -0.893 31.708 32.600 0.000 0.000 1.379 97 M HN -0.014 nan 8.290 nan 0.000 0.420 98 D N -0.062 120.331 120.400 -0.013 0.000 2.097 98 D HA -0.136 4.531 4.640 0.045 0.000 0.197 98 D C 2.128 178.406 176.300 -0.038 0.000 0.984 98 D CA 1.099 55.077 54.000 -0.037 0.000 0.826 98 D CB -0.286 40.494 40.800 -0.034 0.000 0.973 98 D HN 0.312 nan 8.370 nan 0.000 0.460 99 R N -0.044 120.436 120.500 -0.034 0.000 2.092 99 R HA -0.017 4.350 4.340 0.045 0.000 0.231 99 R C 2.314 178.617 176.300 0.005 0.000 1.119 99 R CA 0.785 56.865 56.100 -0.034 0.000 0.970 99 R CB -0.170 30.091 30.300 -0.065 0.000 0.864 99 R HN 0.130 nan 8.270 nan 0.000 0.440 100 M N 0.103 119.722 119.600 0.031 0.000 2.117 100 M HA -0.168 4.339 4.480 0.045 0.000 0.262 100 M C 1.902 178.294 176.300 0.152 0.000 1.065 100 M CA 1.378 56.746 55.300 0.113 0.000 1.114 100 M CB -0.015 32.708 32.600 0.204 0.000 1.361 100 M HN 0.260 nan 8.290 nan 0.000 0.408 101 L N 0.397 121.631 121.223 0.018 0.000 2.093 101 L HA -0.142 4.226 4.340 0.045 0.000 0.208 101 L C 2.308 179.112 176.870 -0.109 0.000 1.085 101 L CA 1.760 56.458 54.840 -0.236 0.000 0.755 101 L CB -0.549 41.231 42.059 -0.464 0.000 0.904 101 L HN 0.223 nan 8.230 nan 0.000 0.435 102 R N -1.311 119.175 120.500 -0.023 0.000 2.075 102 R HA -0.087 4.280 4.340 0.045 0.000 0.232 102 R C 2.258 178.613 176.300 0.092 0.000 1.126 102 R CA 1.441 57.581 56.100 0.066 0.000 0.963 102 R CB -0.492 29.888 30.300 0.134 0.000 0.858 102 R HN 0.356 nan 8.270 nan 0.000 0.435 103 S N 0.836 116.604 115.700 0.114 0.000 2.382 103 S HA -0.125 4.372 4.470 0.045 0.000 0.228 103 S C 2.067 176.626 174.600 -0.069 0.000 1.027 103 S CA 1.205 59.426 58.200 0.036 0.000 0.991 103 S CB -0.119 63.117 63.200 0.059 0.000 0.823 103 S HN 0.466 nan 8.310 nan 0.000 0.469 104 A N 1.873 124.689 122.820 -0.007 0.000 1.902 104 A HA -0.075 4.272 4.320 0.045 0.000 0.217 104 A C 2.104 179.638 177.584 -0.083 0.000 1.181 104 A CA 1.401 53.437 52.037 -0.001 0.000 0.623 104 A CB -0.507 18.555 19.000 0.103 0.000 0.818 104 A HN 0.369 nan 8.150 nan 0.000 0.443 105 M N -1.122 118.410 119.600 -0.112 0.000 2.229 105 M HA -0.060 4.447 4.480 0.045 0.000 0.264 105 M C 2.101 178.297 176.300 -0.172 0.000 1.063 105 M CA 1.506 56.729 55.300 -0.128 0.000 1.114 105 M CB -1.164 31.372 32.600 -0.108 0.000 1.387 105 M HN 0.427 nan 8.290 nan 0.000 0.420 106 R N 0.892 121.222 120.500 -0.283 0.000 2.115 106 R HA 0.026 4.393 4.340 0.045 0.000 0.230 106 R C 1.584 177.724 176.300 -0.267 0.000 1.111 106 R CA 1.150 56.999 56.100 -0.418 0.000 0.976 106 R CB -0.465 29.242 30.300 -0.988 0.000 0.870 106 R HN 0.393 nan 8.270 nan 0.000 0.445 107 L N -0.774 120.334 121.223 -0.192 0.000 2.700 107 L HA 0.125 4.492 4.340 0.045 0.000 0.234 107 L C 0.037 176.860 176.870 -0.078 0.000 1.156 107 L CA -0.258 54.516 54.840 -0.109 0.000 0.946 107 L CB 0.122 42.141 42.059 -0.067 0.000 1.216 107 L HN 0.233 nan 8.230 nan 0.000 0.493 108 C N 0.601 119.844 119.300 -0.095 0.000 4.365 108 C HA -0.192 4.295 4.460 0.045 0.000 0.299 108 C C 0.902 175.828 174.990 -0.107 0.000 1.409 108 C CA -0.044 58.923 59.018 -0.085 0.000 2.007 108 C CB -3.183 24.524 27.740 -0.055 0.000 1.264 108 C HN 0.362 nan 8.230 nan 0.000 0.777 109 L N 1.975 123.125 121.223 -0.121 0.000 2.399 109 L HA 0.494 4.861 4.340 0.045 0.000 0.265 109 L C -1.263 175.437 176.870 -0.284 0.000 1.089 109 L CA -1.613 53.123 54.840 -0.173 0.000 0.802 109 L CB 0.660 42.680 42.059 -0.065 0.000 1.180 109 L HN 0.030 nan 8.230 nan 0.000 0.454 110 P HA 0.024 nan 4.420 nan 0.000 0.267 110 P C -0.791 176.472 177.300 -0.061 0.000 1.200 110 P CA -0.181 62.503 63.100 -0.694 0.000 0.772 110 P CB 0.710 31.314 31.700 -1.826 0.000 0.855 111 S N 1.822 117.509 115.700 -0.022 0.000 2.603 111 S HA 0.583 5.080 4.470 0.045 0.000 0.268 111 S C 0.139 174.940 174.600 0.335 0.000 1.317 111 S CA -0.124 58.087 58.200 0.019 0.000 1.012 111 S CB -0.203 62.972 63.200 -0.043 0.000 0.926 111 S HN 0.529 nan 8.310 nan 0.000 0.539 112 F N -1.293 118.698 119.950 0.068 0.000 2.686 112 F HA 0.521 5.076 4.527 0.046 0.000 0.311 112 F C -1.013 174.638 175.800 -0.249 0.000 1.128 112 F CA -1.325 56.576 58.000 -0.166 0.000 0.946 112 F CB 0.868 39.682 39.000 -0.311 0.000 1.336 112 F HN 0.378 nan 8.300 nan 0.000 0.457 113 D N 1.819 122.091 120.400 -0.214 0.000 2.295 113 D HA 0.183 4.850 4.640 0.045 0.000 0.248 113 D C 0.452 176.702 176.300 -0.083 0.000 1.154 113 D CA -0.084 53.799 54.000 -0.196 0.000 0.857 113 D CB 1.547 42.218 40.800 -0.216 0.000 1.117 113 D HN 0.714 nan 8.370 nan 0.000 0.468 114 K N 2.724 123.089 120.400 -0.058 0.000 2.103 114 K HA -0.124 4.223 4.320 0.045 0.000 0.207 114 K C 1.852 178.454 176.600 0.004 0.000 1.048 114 K CA 1.058 57.371 56.287 0.043 0.000 0.930 114 K CB 0.194 32.682 32.500 -0.021 0.000 0.716 114 K HN 0.498 nan 8.250 nan 0.000 0.444 115 L N 0.723 121.930 121.223 -0.026 0.000 2.313 115 L HA -0.080 4.288 4.340 0.045 0.000 0.214 115 L C 2.215 179.060 176.870 -0.042 0.000 1.119 115 L CA 0.601 55.432 54.840 -0.014 0.000 0.809 115 L CB -0.164 41.911 42.059 0.027 0.000 0.933 115 L HN 0.118 nan 8.230 nan 0.000 0.449 116 E N 0.152 120.285 120.200 -0.112 0.000 2.112 116 E HA -0.159 4.218 4.350 0.045 0.000 0.190 116 E C 2.115 178.649 176.600 -0.110 0.000 0.979 116 E CA 0.860 57.166 56.400 -0.156 0.000 0.814 116 E CB -0.084 29.410 29.700 -0.344 0.000 0.762 116 E HN 0.271 nan 8.360 nan 0.000 0.460 117 L N 1.040 122.181 121.223 -0.137 0.000 2.093 117 L HA -0.102 4.265 4.340 0.045 0.000 0.208 117 L C 2.222 179.072 176.870 -0.033 0.000 1.085 117 L CA 1.104 55.941 54.840 -0.004 0.000 0.755 117 L CB -0.576 41.443 42.059 -0.066 0.000 0.904 117 L HN 0.077 nan 8.230 nan 0.000 0.435 118 L N -0.231 120.941 121.223 -0.085 0.000 2.046 118 L HA -0.175 4.192 4.340 0.045 0.000 0.208 118 L C 2.453 179.290 176.870 -0.055 0.000 1.077 118 L CA 2.026 56.762 54.840 -0.174 0.000 0.747 118 L CB -0.848 41.003 42.059 -0.347 0.000 0.896 118 L HN 0.458 nan 8.230 nan 0.000 0.432 119 E N -1.113 119.102 120.200 0.026 0.000 2.106 119 E HA -0.175 4.202 4.350 0.045 0.000 0.192 119 E C 2.217 178.864 176.600 0.078 0.000 0.984 119 E CA 1.657 58.120 56.400 0.106 0.000 0.806 119 E CB -0.546 29.212 29.700 0.095 0.000 0.750 119 E HN 0.592 nan 8.360 nan 0.000 0.458 120 C N -0.041 119.294 119.300 0.060 0.000 2.440 120 C HA 0.039 4.526 4.460 0.045 0.000 0.278 120 C C 2.564 177.568 174.990 0.023 0.000 1.295 120 C CA 0.401 59.452 59.018 0.054 0.000 1.738 120 C CB -0.892 26.902 27.740 0.092 0.000 1.987 120 C HN 0.467 nan 8.230 nan 0.000 0.492 121 I N 0.307 120.881 120.570 0.006 0.000 2.353 121 I HA -0.157 4.041 4.170 0.045 0.000 0.248 121 I C 2.880 179.013 176.117 0.027 0.000 1.119 121 I CA 1.167 62.459 61.300 -0.013 0.000 1.417 121 I CB -0.559 37.403 38.000 -0.065 0.000 1.078 121 I HN 0.318 nan 8.210 nan 0.000 0.421 122 R N 0.960 121.510 120.500 0.084 0.000 2.081 122 R HA -0.138 4.229 4.340 0.045 0.000 0.235 122 R C 2.433 178.772 176.300 0.064 0.000 1.131 122 R CA 1.220 57.402 56.100 0.137 0.000 0.960 122 R CB -0.031 30.424 30.300 0.258 0.000 0.856 122 R HN 0.196 nan 8.270 nan 0.000 0.436 123 R N 0.586 121.114 120.500 0.048 0.000 2.115 123 R HA -0.127 4.241 4.340 0.045 0.000 0.230 123 R C 2.212 178.509 176.300 -0.004 0.000 1.111 123 R CA 0.748 56.858 56.100 0.018 0.000 0.976 123 R CB -0.673 29.637 30.300 0.016 0.000 0.870 123 R HN 0.256 nan 8.270 nan 0.000 0.445 124 L N 0.792 122.015 121.223 -0.000 0.000 2.072 124 L HA -0.011 4.356 4.340 0.045 0.000 0.205 124 L C 2.064 178.936 176.870 0.003 0.000 1.079 124 L CA 1.477 56.311 54.840 -0.009 0.000 0.752 124 L CB -0.269 41.791 42.059 0.001 0.000 0.906 124 L HN 0.005 nan 8.230 nan 0.000 0.436 125 I N -0.551 120.029 120.570 0.016 0.000 2.394 125 I HA -0.229 3.968 4.170 0.045 0.000 0.251 125 I C 2.456 178.597 176.117 0.039 0.000 1.136 125 I CA 1.259 62.577 61.300 0.030 0.000 1.425 125 I CB -0.358 37.659 38.000 0.029 0.000 1.079 125 I HN 0.425 nan 8.210 nan 0.000 0.425 126 E N 1.015 121.230 120.200 0.024 0.000 2.110 126 E HA -0.184 4.193 4.350 0.045 0.000 0.193 126 E C 2.304 178.914 176.600 0.016 0.000 0.988 126 E CA 1.271 57.682 56.400 0.019 0.000 0.804 126 E CB 0.203 29.907 29.700 0.006 0.000 0.745 126 E HN 0.266 nan 8.360 nan 0.000 0.458 127 V N 1.381 121.288 119.914 -0.012 0.000 2.358 127 V HA -0.171 3.976 4.120 0.045 0.000 0.246 127 V C 0.967 177.090 176.094 0.049 0.000 1.047 127 V CA 1.830 64.098 62.300 -0.054 0.000 1.035 127 V CB -0.167 31.526 31.823 -0.217 0.000 0.658 127 V HN 0.216 nan 8.190 nan 0.000 0.452 128 D N -0.195 120.269 120.400 0.106 0.000 2.587 128 D HA 0.207 4.874 4.640 0.045 0.000 0.233 128 D C 1.738 178.196 176.300 0.264 0.000 1.213 128 D CA 0.551 54.706 54.000 0.258 0.000 0.827 128 D CB 0.433 41.325 40.800 0.152 0.000 1.006 128 D HN 0.451 nan 8.370 nan 0.000 0.490 129 K N 0.481 120.980 120.400 0.163 0.000 2.152 129 K HA -0.158 4.189 4.320 0.045 0.000 0.206 129 K C 1.429 178.106 176.600 0.129 0.000 1.048 129 K CA 1.200 57.561 56.287 0.123 0.000 0.933 129 K CB -0.486 32.059 32.500 0.075 0.000 0.721 129 K HN 0.117 nan 8.250 nan 0.000 0.447 130 D N -1.773 118.703 120.400 0.126 0.000 2.363 130 D HA -0.039 4.629 4.640 0.045 0.000 0.220 130 D C 1.203 177.499 176.300 -0.006 0.000 0.994 130 D CA 0.332 54.351 54.000 0.031 0.000 0.890 130 D CB -0.059 40.718 40.800 -0.039 0.000 0.906 130 D HN 0.731 nan 8.370 nan 0.000 0.530 131 W N 0.881 122.189 121.300 0.014 0.000 2.863 131 W HA 0.032 4.709 4.660 0.029 0.000 0.258 131 W C 0.626 177.141 176.519 -0.007 0.000 1.298 131 W CA 0.023 57.368 57.345 0.001 0.000 1.451 131 W CB 0.286 29.746 29.460 0.000 0.000 1.107 131 W HN -0.315 nan 8.180 nan 0.000 0.641 132 V N 4.745 124.785 119.914 0.210 0.000 2.439 132 V HA 0.081 4.229 4.120 0.045 0.000 0.271 132 V C -1.417 174.736 176.094 0.099 0.000 1.040 132 V CA -1.655 60.719 62.300 0.125 0.000 1.002 132 V CB -0.336 31.542 31.823 0.092 0.000 1.000 132 V HN -0.220 nan 8.190 nan 0.000 0.477 133 P HA 0.240 nan 4.420 nan 0.000 0.274 133 P C -0.418 176.957 177.300 0.125 0.000 1.237 133 P CA -0.242 62.909 63.100 0.084 0.000 0.793 133 P CB 1.158 32.902 31.700 0.074 0.000 0.977 134 D N -0.974 119.491 120.400 0.109 0.000 2.469 134 D HA 0.177 4.844 4.640 0.045 0.000 0.213 134 D C 0.659 177.017 176.300 0.096 0.000 1.135 134 D CA -0.268 53.816 54.000 0.139 0.000 0.834 134 D CB -0.341 40.520 40.800 0.102 0.000 1.009 134 D HN 0.327 nan 8.370 nan 0.000 0.507 135 A N 0.728 123.589 122.820 0.069 0.000 2.386 135 A HA 0.576 4.924 4.320 0.045 0.000 0.246 135 A C 0.698 178.278 177.584 -0.006 0.000 1.089 135 A CA -0.008 52.042 52.037 0.021 0.000 0.790 135 A CB 0.057 19.070 19.000 0.022 0.000 1.042 135 A HN 0.370 nan 8.150 nan 0.000 0.497 136 A N -0.067 122.714 122.820 -0.064 0.000 2.524 136 A HA 0.473 4.820 4.320 0.045 0.000 0.250 136 A C 1.554 179.133 177.584 -0.008 0.000 1.078 136 A CA 0.741 52.707 52.037 -0.118 0.000 0.761 136 A CB -1.128 17.810 19.000 -0.102 0.000 1.012 136 A HN 2.744 nan 8.150 nan 0.000 0.500 137 G N 2.144 110.974 108.800 0.050 0.000 2.148 137 G HA2 -0.171 3.816 3.960 0.045 0.000 0.254 137 G HA3 -0.171 3.816 3.960 0.045 0.000 0.254 137 G C 0.482 175.525 174.900 0.238 0.000 0.981 137 G CA 1.220 46.430 45.100 0.183 0.000 0.670 137 G HN 2.157 nan 8.290 nan 0.000 0.528 138 T N -1.943 112.773 114.554 0.270 0.000 2.945 138 T HA 0.900 5.277 4.350 0.045 0.000 0.286 138 T C 0.118 174.962 174.700 0.240 0.000 1.025 138 T CA 0.647 62.872 62.100 0.209 0.000 1.039 138 T CB 2.613 71.562 68.868 0.135 0.000 1.068 138 T HN 1.805 nan 8.240 nan 0.000 0.497 139 S N 0.833 116.574 115.700 0.069 0.000 2.694 139 S HA 0.617 5.114 4.470 0.045 0.000 0.273 139 S C -1.831 172.709 174.600 -0.101 0.000 1.180 139 S CA -1.098 57.023 58.200 -0.131 0.000 0.864 139 S CB 0.983 63.859 63.200 -0.541 0.000 1.198 139 S HN 1.028 nan 8.310 nan 0.000 0.499 140 L N 1.666 122.783 121.223 -0.177 0.000 2.319 140 L HA 0.638 5.005 4.340 0.045 0.000 0.281 140 L C -1.382 175.438 176.870 -0.084 0.000 1.005 140 L CA -0.538 54.252 54.840 -0.083 0.000 0.828 140 L CB 1.193 43.221 42.059 -0.052 0.000 1.227 140 L HN 0.803 nan 8.230 nan 0.000 0.415 141 Y N 4.964 125.169 120.300 -0.157 0.000 2.336 141 Y HA 0.541 5.131 4.550 0.066 0.000 0.335 141 Y C -0.648 175.196 175.900 -0.093 0.000 1.046 141 Y CA -0.251 57.776 58.100 -0.121 0.000 1.198 141 Y CB 1.039 39.403 38.460 -0.160 0.000 1.182 141 Y HN 0.381 nan 8.280 nan 0.000 0.502 142 V N 7.646 127.256 119.914 -0.506 0.000 2.398 142 V HA 0.422 4.569 4.120 0.045 0.000 0.286 142 V C -0.491 175.304 176.094 -0.498 0.000 1.026 142 V CA -0.853 61.232 62.300 -0.357 0.000 0.868 142 V CB 1.253 32.926 31.823 -0.249 0.000 0.982 142 V HN 0.598 nan 8.190 nan 0.000 0.443 143 R N 6.765 127.128 120.500 -0.228 0.000 2.402 143 R HA 0.508 4.876 4.340 0.045 0.000 0.290 143 R C -3.071 173.169 176.300 -0.099 0.000 1.321 143 R CA -2.113 53.917 56.100 -0.118 0.000 1.283 143 R CB 1.169 31.521 30.300 0.087 0.000 1.111 143 R HN 0.388 nan 8.270 nan 0.000 0.578 144 P HA 0.255 nan 4.420 nan 0.000 0.284 144 P C -1.121 176.044 177.300 -0.226 0.000 1.253 144 P CA -0.429 62.556 63.100 -0.192 0.000 0.800 144 P CB 1.568 33.165 31.700 -0.171 0.000 0.961 145 V N 3.666 123.314 119.914 -0.444 0.000 2.841 145 V HA 0.506 4.654 4.120 0.045 0.000 0.310 145 V C -0.852 174.988 176.094 -0.424 0.000 1.090 145 V CA -0.666 61.336 62.300 -0.497 0.000 0.930 145 V CB 2.224 33.432 31.823 -1.026 0.000 1.014 145 V HN 0.303 nan 8.190 nan 0.000 0.425 146 L N 6.150 127.268 121.223 -0.175 0.000 2.406 146 L HA 0.796 5.163 4.340 0.045 0.000 0.272 146 L C -0.744 176.144 176.870 0.030 0.000 0.980 146 L CA -0.128 54.689 54.840 -0.039 0.000 0.831 146 L CB 1.484 43.565 42.059 0.037 0.000 1.253 146 L HN 0.719 nan 8.230 nan 0.000 0.406 147 I N 1.046 121.667 120.570 0.086 0.000 2.740 147 I HA 0.915 5.112 4.170 0.045 0.000 0.303 147 I C 0.350 176.533 176.117 0.109 0.000 1.044 147 I CA -0.902 60.467 61.300 0.114 0.000 1.064 147 I CB 2.149 40.251 38.000 0.170 0.000 1.249 147 I HN 0.679 nan 8.210 nan 0.000 0.433 148 G N 1.633 110.492 108.800 0.099 0.000 2.467 148 G HA2 0.258 4.245 3.960 0.045 0.000 0.257 148 G HA3 0.258 4.245 3.960 0.045 0.000 0.257 148 G C -0.275 174.688 174.900 0.105 0.000 1.227 148 G CA -0.251 44.907 45.100 0.097 0.000 0.835 148 G HN 0.781 nan 8.290 nan 0.000 0.556 149 N N -0.129 118.631 118.700 0.099 0.000 2.547 149 N HA 0.032 4.799 4.740 0.045 0.000 0.285 149 N C -0.392 175.140 175.510 0.036 0.000 1.600 149 N CA -0.287 52.809 53.050 0.076 0.000 0.872 149 N CB 0.525 39.061 38.487 0.081 0.000 1.412 149 N HN 0.551 nan 8.380 nan 0.000 0.489 150 E N 1.323 121.542 120.200 0.032 0.000 2.289 150 E HA 0.177 4.555 4.350 0.045 0.000 0.278 150 E C -2.158 174.390 176.600 -0.086 0.000 1.032 150 E CA -1.769 54.619 56.400 -0.020 0.000 0.854 150 E CB 1.177 30.883 29.700 0.011 0.000 1.046 150 E HN 0.230 nan 8.360 nan 0.000 0.409 151 P HA 0.046 nan 4.420 nan 0.000 0.225 151 P C -0.777 176.368 177.300 -0.258 0.000 1.768 151 P CA 0.085 62.930 63.100 -0.427 0.000 0.943 151 P CB 0.026 31.209 31.700 -0.862 0.000 1.936 152 S N 0.925 116.543 115.700 -0.136 0.000 2.548 152 S HA 0.382 4.879 4.470 0.045 0.000 0.276 152 S C 0.556 175.136 174.600 -0.033 0.000 1.129 152 S CA -0.704 57.454 58.200 -0.070 0.000 0.931 152 S CB 1.051 64.231 63.200 -0.033 0.000 1.068 152 S HN 0.075 nan 8.310 nan 0.000 0.480 153 L N 3.355 124.570 121.223 -0.013 0.000 2.612 153 L HA 0.311 4.678 4.340 0.045 0.000 0.230 153 L C 1.432 178.440 176.870 0.230 0.000 1.140 153 L CA -0.051 54.834 54.840 0.076 0.000 0.896 153 L CB -0.577 41.491 42.059 0.015 0.000 1.065 153 L HN 0.736 nan 8.230 nan 0.000 0.447 154 G N 0.219 109.087 108.800 0.113 0.000 2.390 154 G HA2 0.365 4.352 3.960 0.045 0.000 0.270 154 G HA3 0.365 4.352 3.960 0.045 0.000 0.270 154 G C -0.202 174.666 174.900 -0.053 0.000 1.211 154 G CA -0.299 44.813 45.100 0.020 0.000 0.842 154 G HN -0.090 nan 8.290 nan 0.000 0.519 155 V N 2.711 122.461 119.914 -0.273 0.000 2.352 155 V HA 0.424 4.571 4.120 0.045 0.000 0.253 155 V C 0.440 176.433 176.094 -0.168 0.000 1.083 155 V CA 0.137 62.180 62.300 -0.428 0.000 0.993 155 V CB -0.816 30.669 31.823 -0.563 0.000 1.111 155 V HN 0.991 nan 8.190 nan 0.000 0.490 156 S N 2.853 118.510 115.700 -0.073 0.000 2.643 156 S HA 0.473 4.971 4.470 0.045 0.000 0.270 156 S C -0.797 173.808 174.600 0.008 0.000 1.166 156 S CA -0.971 57.211 58.200 -0.029 0.000 0.815 156 S CB 1.633 64.822 63.200 -0.017 0.000 1.139 156 S HN 0.563 nan 8.310 nan 0.000 0.472 157 Q N 1.968 121.776 119.800 0.012 0.000 2.255 157 Q HA 0.267 4.634 4.340 0.045 0.000 0.280 157 Q C -2.094 173.945 176.000 0.065 0.000 1.068 157 Q CA -1.394 54.427 55.803 0.030 0.000 0.911 157 Q CB 0.267 29.020 28.738 0.026 0.000 1.157 157 Q HN 0.460 nan 8.270 nan 0.000 0.380 158 P HA 0.008 nan 4.420 nan 0.000 0.271 158 P C -0.798 176.648 177.300 0.243 0.000 1.216 158 P CA 0.186 63.364 63.100 0.130 0.000 0.776 158 P CB 0.779 32.553 31.700 0.124 0.000 0.881 159 R N 1.521 122.116 120.500 0.158 0.000 2.334 159 R HA 0.197 4.564 4.340 0.045 0.000 0.216 159 R C 0.755 177.030 176.300 -0.042 0.000 0.905 159 R CA 0.125 56.271 56.100 0.076 0.000 1.064 159 R CB 0.371 30.646 30.300 -0.042 0.000 1.046 159 R HN 0.445 nan 8.270 nan 0.000 0.508 160 R N -0.206 120.371 120.500 0.129 0.000 2.651 160 R HA 0.643 5.011 4.340 0.045 0.000 0.278 160 R C -1.520 174.926 176.300 0.244 0.000 1.010 160 R CA -0.527 55.634 56.100 0.102 0.000 0.896 160 R CB 2.357 32.654 30.300 -0.005 0.000 1.211 160 R HN 0.040 nan 8.270 nan 0.000 0.456 161 A N 2.075 125.058 122.820 0.272 0.000 2.593 161 A HA 0.791 5.139 4.320 0.045 0.000 0.290 161 A C -2.037 175.642 177.584 0.158 0.000 1.126 161 A CA -0.583 51.562 52.037 0.180 0.000 0.695 161 A CB 1.932 20.980 19.000 0.080 0.000 1.290 161 A HN 0.470 nan 8.150 nan 0.000 0.414 162 L N 0.454 121.781 121.223 0.173 0.000 2.438 162 L HA 0.733 5.100 4.340 0.045 0.000 0.270 162 L C -1.687 175.337 176.870 0.256 0.000 0.972 162 L CA -0.297 54.676 54.840 0.221 0.000 0.831 162 L CB 1.664 43.844 42.059 0.202 0.000 1.273 162 L HN 0.747 nan 8.230 nan 0.000 0.405 163 L N 5.935 127.309 121.223 0.251 0.000 2.305 163 L HA 0.727 5.094 4.340 0.045 0.000 0.284 163 L C -1.364 175.562 176.870 0.094 0.000 1.013 163 L CA -0.549 54.344 54.840 0.088 0.000 0.819 163 L CB 1.064 43.108 42.059 -0.024 0.000 1.227 163 L HN 0.719 nan 8.230 nan 0.000 0.417 164 F N 3.597 123.498 119.950 -0.082 0.000 2.599 164 F HA 0.843 5.396 4.527 0.042 0.000 0.311 164 F C -1.553 174.196 175.800 -0.084 0.000 1.076 164 F CA -1.088 56.853 58.000 -0.099 0.000 0.937 164 F CB 1.456 40.397 39.000 -0.100 0.000 1.282 164 F HN -0.001 nan 8.300 nan 0.000 0.460 165 V N 3.913 123.882 119.914 0.091 0.000 2.577 165 V HA 0.597 4.744 4.120 0.045 0.000 0.303 165 V C -0.192 175.979 176.094 0.128 0.000 1.042 165 V CA -0.732 61.577 62.300 0.015 0.000 0.872 165 V CB 1.568 33.364 31.823 -0.047 0.000 0.998 165 V HN 0.895 nan 8.190 nan 0.000 0.423 166 I N 2.758 123.421 120.570 0.155 0.000 2.740 166 I HA 0.796 4.993 4.170 0.045 0.000 0.303 166 I C -1.129 175.084 176.117 0.160 0.000 1.044 166 I CA -0.957 60.491 61.300 0.247 0.000 1.064 166 I CB 2.173 40.415 38.000 0.404 0.000 1.249 166 I HN 0.387 nan 8.210 nan 0.000 0.433 167 L N 4.114 125.416 121.223 0.131 0.000 2.346 167 L HA 0.677 5.044 4.340 0.045 0.000 0.274 167 L C -1.119 175.724 176.870 -0.045 0.000 1.007 167 L CA -0.583 54.265 54.840 0.013 0.000 0.818 167 L CB 2.022 44.046 42.059 -0.058 0.000 1.284 167 L HN 0.678 nan 8.230 nan 0.000 0.424 168 C N 2.503 121.757 119.300 -0.077 0.000 2.397 168 C HA 0.446 4.933 4.460 0.045 0.000 0.325 168 C C -2.480 172.417 174.990 -0.154 0.000 1.201 168 C CA -1.355 57.527 59.018 -0.227 0.000 1.377 168 C CB 2.002 29.539 27.740 -0.338 0.000 2.038 168 C HN 0.452 nan 8.230 nan 0.000 0.457 169 P HA 0.298 nan 4.420 nan 0.000 0.282 169 P C -0.498 176.755 177.300 -0.077 0.000 1.262 169 P CA 0.385 63.473 63.100 -0.020 0.000 0.773 169 P CB 1.035 32.796 31.700 0.102 0.000 0.879 170 V N 1.035 120.924 119.914 -0.042 0.000 3.046 170 V HA 0.957 5.104 4.120 0.045 0.000 0.316 170 V C 0.247 176.370 176.094 0.050 0.000 1.104 170 V CA -0.472 61.816 62.300 -0.019 0.000 1.006 170 V CB 1.685 33.509 31.823 0.002 0.000 1.058 170 V HN 0.627 nan 8.190 nan 0.000 0.440 171 G N 0.324 109.168 108.800 0.073 0.000 3.387 171 G HA2 1.002 4.990 3.960 0.045 0.000 0.194 171 G HA3 1.002 4.990 3.960 0.045 0.000 0.194 171 G C -0.227 174.730 174.900 0.096 0.000 1.417 171 G CA 0.011 45.159 45.100 0.081 0.000 0.777 171 G HN 1.963 nan 8.290 nan 0.000 0.721 180 T N 2.923 117.479 114.554 0.003 0.000 2.832 180 T HA 0.712 5.090 4.350 0.045 0.000 0.296 180 T C -1.722 172.989 174.700 0.019 0.000 0.968 180 T CA -1.167 60.932 62.100 -0.002 0.000 1.107 180 T CB 1.462 70.328 68.868 -0.004 0.000 0.916 180 T HN 0.848 nan 8.240 nan 0.000 0.517 181 P HA 0.438 nan 4.420 nan 0.000 0.276 181 P C -0.499 176.920 177.300 0.198 0.000 1.252 181 P CA -0.629 62.534 63.100 0.105 0.000 0.802 181 P CB 1.159 32.921 31.700 0.104 0.000 1.035 182 V N -1.759 118.306 119.914 0.253 0.000 2.815 182 V HA 0.726 4.873 4.120 0.045 0.000 0.314 182 V C -0.047 176.111 176.094 0.108 0.000 1.064 182 V CA -0.956 61.462 62.300 0.197 0.000 0.952 182 V CB 1.372 33.248 31.823 0.089 0.000 1.020 182 V HN 0.694 nan 8.190 nan 0.000 0.439 183 S N 3.699 119.412 115.700 0.022 0.000 2.525 183 S HA 0.846 5.343 4.470 0.045 0.000 0.290 183 S C -0.631 173.922 174.600 -0.078 0.000 1.152 183 S CA -0.774 57.339 58.200 -0.146 0.000 1.072 183 S CB 1.094 64.228 63.200 -0.110 0.000 1.027 183 S HN 0.801 nan 8.310 nan 0.000 0.500 184 L N 2.270 123.436 121.223 -0.096 0.000 2.362 184 L HA 0.599 4.966 4.340 0.045 0.000 0.271 184 L C -0.917 175.911 176.870 -0.070 0.000 1.002 184 L CA -1.159 53.632 54.840 -0.081 0.000 0.818 184 L CB 1.669 43.681 42.059 -0.079 0.000 1.298 184 L HN 0.584 nan 8.230 nan 0.000 0.420 185 L N 2.675 123.844 121.223 -0.090 0.000 2.264 185 L HA 0.674 5.041 4.340 0.045 0.000 0.289 185 L C -0.046 176.790 176.870 -0.058 0.000 1.044 185 L CA 0.016 54.822 54.840 -0.056 0.000 0.807 185 L CB 1.256 43.274 42.059 -0.068 0.000 1.192 185 L HN 0.705 nan 8.230 nan 0.000 0.425 186 A N 4.189 127.026 122.820 0.028 0.000 2.644 186 A HA 0.460 4.807 4.320 0.045 0.000 0.343 186 A C -0.885 176.786 177.584 0.144 0.000 1.324 186 A CA -0.534 51.545 52.037 0.071 0.000 0.846 186 A CB -0.198 18.855 19.000 0.090 0.000 1.128 186 A HN 0.643 nan 8.150 nan 0.000 0.484 187 D N 3.720 124.178 120.400 0.096 0.000 2.425 187 D HA 0.341 5.008 4.640 0.045 0.000 0.240 187 D C -1.728 174.555 176.300 -0.029 0.000 1.080 187 D CA -1.789 52.234 54.000 0.040 0.000 0.836 187 D CB 2.130 42.993 40.800 0.106 0.000 1.125 187 D HN 0.228 nan 8.370 nan 0.000 0.525 188 P HA -0.054 nan 4.420 nan 0.000 0.231 188 P C 0.875 178.097 177.300 -0.130 0.000 1.158 188 P CA 0.301 63.291 63.100 -0.184 0.000 0.763 188 P CB 0.309 31.758 31.700 -0.419 0.000 0.805 189 A N -0.656 121.983 122.820 -0.301 0.000 2.119 189 A HA 0.015 4.362 4.320 0.045 0.000 0.217 189 A C 0.806 178.147 177.584 -0.406 0.000 1.153 189 A CA 0.441 52.211 52.037 -0.445 0.000 0.692 189 A CB -0.967 17.603 19.000 -0.718 0.000 0.799 189 A HN 0.168 nan 8.150 nan 0.000 0.458 190 F N 0.749 120.774 119.950 0.125 0.000 2.388 190 F HA 0.501 5.057 4.527 0.049 0.000 0.358 190 F C -0.218 175.825 175.800 0.405 0.000 1.122 190 F CA -0.977 57.174 58.000 0.251 0.000 1.056 190 F CB 1.297 40.426 39.000 0.216 0.000 1.155 190 F HN -0.092 nan 8.300 nan 0.000 0.461 191 I N 3.972 124.866 120.570 0.539 0.000 2.362 191 I HA 0.327 4.524 4.170 0.045 0.000 0.289 191 I C 0.866 177.167 176.117 0.306 0.000 0.994 191 I CA -0.443 61.133 61.300 0.460 0.000 1.158 191 I CB 1.659 39.894 38.000 0.390 0.000 1.315 191 I HN 0.770 nan 8.210 nan 0.000 0.451 192 R N 4.058 124.557 120.500 -0.001 0.000 2.080 192 R HA 0.331 4.698 4.340 0.045 0.000 0.222 192 R C 0.410 176.509 176.300 -0.334 0.000 1.107 192 R CA 0.880 56.632 56.100 -0.581 0.000 0.980 192 R CB 0.576 30.132 30.300 -1.239 0.000 0.879 192 R HN 0.802 nan 8.270 nan 0.000 0.439 193 A N -0.614 122.083 122.820 -0.206 0.000 2.609 193 A HA 0.540 4.888 4.320 0.045 0.000 0.291 193 A C -2.067 175.441 177.584 -0.127 0.000 1.096 193 A CA -0.801 50.992 52.037 -0.407 0.000 0.684 193 A CB 0.658 19.331 19.000 -0.546 0.000 1.282 193 A HN 0.376 nan 8.150 nan 0.000 0.412 194 W N -0.575 120.607 121.300 -0.196 0.000 3.107 194 W HA 0.654 5.342 4.660 0.046 0.000 0.331 194 W C -1.213 175.213 176.519 -0.154 0.000 1.204 194 W CA -1.237 56.021 57.345 -0.145 0.000 1.184 194 W CB 0.691 30.217 29.460 0.110 0.000 1.421 194 W HN 0.438 nan 8.180 nan 0.000 0.544 195 V N 3.795 123.767 119.914 0.096 0.000 2.493 195 V HA 0.381 4.528 4.120 0.045 0.000 0.292 195 V C 1.129 177.320 176.094 0.162 0.000 1.016 195 V CA 1.936 64.274 62.300 0.064 0.000 1.097 195 V CB 0.143 32.052 31.823 0.143 0.000 0.947 195 V HN 1.431 nan 8.190 nan 0.000 0.479 196 G N 3.583 112.423 108.800 0.066 0.000 2.195 196 G HA2 -0.137 3.850 3.960 0.045 0.000 0.224 196 G HA3 -0.137 3.850 3.960 0.045 0.000 0.224 196 G C 0.527 175.473 174.900 0.077 0.000 0.990 196 G CA 0.113 45.278 45.100 0.107 0.000 0.639 196 G HN 1.230 nan 8.290 nan 0.000 0.514 197 G N -0.677 108.051 108.800 -0.120 0.000 2.666 197 G HA2 0.612 4.599 3.960 0.045 0.000 0.207 197 G HA3 0.612 4.599 3.960 0.045 0.000 0.207 197 G C 1.047 175.780 174.900 -0.279 0.000 1.481 197 G CA 1.363 46.211 45.100 -0.421 0.000 1.071 197 G HN 1.369 nan 8.290 nan 0.000 0.572 198 V N -2.723 116.949 119.914 -0.402 0.000 3.078 198 V HA 0.478 4.625 4.120 0.045 0.000 0.344 198 V C 1.619 177.618 176.094 -0.160 0.000 1.409 198 V CA 0.538 62.777 62.300 -0.102 0.000 1.146 198 V CB 0.311 32.081 31.823 -0.088 0.000 1.126 198 V HN 0.761 nan 8.190 nan 0.000 0.513 199 G N 2.412 110.983 108.800 -0.382 0.000 2.534 199 G HA2 -0.197 3.791 3.960 0.045 0.000 0.217 199 G HA3 -0.197 3.791 3.960 0.045 0.000 0.217 199 G C 0.984 175.698 174.900 -0.310 0.000 1.128 199 G CA 0.897 45.764 45.100 -0.389 0.000 0.784 199 G HN 0.865 nan 8.290 nan 0.000 0.542 200 N N -1.664 116.829 118.700 -0.344 0.000 2.383 200 N HA 0.169 4.937 4.740 0.045 0.000 0.192 200 N C -0.602 174.541 175.510 -0.612 0.000 1.141 200 N CA -0.323 52.445 53.050 -0.470 0.000 0.851 200 N CB 0.013 38.179 38.487 -0.536 0.000 0.976 200 N HN 0.294 nan 8.380 nan 0.000 0.465 201 Y N 0.340 120.542 120.300 -0.163 0.000 2.446 201 Y HA 0.339 4.915 4.550 0.045 0.000 0.345 201 Y C 0.066 175.890 175.900 -0.125 0.000 0.984 201 Y CA -1.269 56.749 58.100 -0.136 0.000 1.058 201 Y CB 1.699 40.087 38.460 -0.120 0.000 1.220 201 Y HN -0.190 nan 8.280 nan 0.000 0.455 202 K N 3.823 124.212 120.400 -0.019 0.000 2.307 202 K HA 0.335 4.682 4.320 0.045 0.000 0.240 202 K C -1.220 175.278 176.600 -0.171 0.000 1.214 202 K CA 0.030 56.197 56.287 -0.201 0.000 1.149 202 K CB -0.443 31.741 32.500 -0.527 0.000 1.668 202 K HN 0.554 nan 8.250 nan 0.000 0.314 203 L N 0.146 121.446 121.223 0.127 0.000 2.322 203 L HA 0.291 4.658 4.340 0.045 0.000 0.279 203 L C 1.741 178.895 176.870 0.472 0.000 1.036 203 L CA -0.666 54.298 54.840 0.208 0.000 0.807 203 L CB 1.532 43.656 42.059 0.107 0.000 1.226 203 L HN 0.488 nan 8.230 nan 0.000 0.433 204 G N 1.697 110.779 108.800 0.471 0.000 2.469 204 G HA2 -0.227 3.760 3.960 0.045 0.000 0.220 204 G HA3 -0.227 3.760 3.960 0.045 0.000 0.220 204 G C 1.380 176.504 174.900 0.374 0.000 1.136 204 G CA 0.910 46.300 45.100 0.483 0.000 0.759 204 G HN 0.923 nan 8.290 nan 0.000 0.562 205 G N 0.511 109.442 108.800 0.217 0.000 2.479 205 G HA2 -0.220 3.767 3.960 0.045 0.000 0.220 205 G HA3 -0.220 3.767 3.960 0.045 0.000 0.220 205 G C 1.558 176.466 174.900 0.013 0.000 1.115 205 G CA 0.997 46.165 45.100 0.113 0.000 0.757 205 G HN 0.599 nan 8.290 nan 0.000 0.560 206 N N -1.205 117.436 118.700 -0.098 0.000 2.463 206 N HA 0.052 4.819 4.740 0.045 0.000 0.181 206 N C 1.273 176.370 175.510 -0.689 0.000 1.078 206 N CA 0.355 53.134 53.050 -0.452 0.000 0.902 206 N CB 0.019 38.104 38.487 -0.669 0.000 0.970 206 N HN 0.466 nan 8.380 nan 0.000 0.451 207 Y N -0.299 120.036 120.300 0.057 0.000 2.464 207 Y HA 0.277 4.856 4.550 0.049 0.000 0.288 207 Y C 2.534 178.473 175.900 0.065 0.000 1.133 207 Y CA 0.166 58.308 58.100 0.069 0.000 1.223 207 Y CB -0.638 37.889 38.460 0.111 0.000 1.187 207 Y HN -0.055 nan 8.280 nan 0.000 0.539 208 G N 1.576 110.477 108.800 0.169 0.000 2.476 208 G HA2 -0.233 3.755 3.960 0.045 0.000 0.218 208 G HA3 -0.233 3.755 3.960 0.045 0.000 0.218 208 G C -0.633 174.325 174.900 0.097 0.000 1.164 208 G CA 1.078 46.250 45.100 0.120 0.000 0.768 208 G HN 0.292 nan 8.290 nan 0.000 0.560 209 P HA -0.023 nan 4.420 nan 0.000 0.225 209 P C 2.092 179.466 177.300 0.124 0.000 1.148 209 P CA 1.755 64.912 63.100 0.095 0.000 0.779 209 P CB -0.137 31.616 31.700 0.089 0.000 0.780 210 T N -4.420 110.214 114.554 0.132 0.000 3.055 210 T HA -0.029 4.348 4.350 0.045 0.000 0.265 210 T C 1.710 176.511 174.700 0.168 0.000 1.111 210 T CA 0.479 62.727 62.100 0.248 0.000 1.118 210 T CB -1.200 67.852 68.868 0.307 0.000 0.909 210 T HN -0.136 nan 8.240 nan 0.000 0.501 211 V N 1.414 121.397 119.914 0.115 0.000 2.287 211 V HA -0.097 4.051 4.120 0.045 0.000 0.248 211 V C 2.565 178.673 176.094 0.025 0.000 1.053 211 V CA 1.729 64.072 62.300 0.072 0.000 1.027 211 V CB -0.865 30.998 31.823 0.067 0.000 0.646 211 V HN 0.434 nan 8.190 nan 0.000 0.447 212 L N -0.178 121.055 121.223 0.017 0.000 2.093 212 L HA -0.065 4.303 4.340 0.045 0.000 0.208 212 L C 2.280 179.072 176.870 -0.129 0.000 1.085 212 L CA 1.650 56.476 54.840 -0.023 0.000 0.755 212 L CB -0.338 41.728 42.059 0.012 0.000 0.904 212 L HN 0.144 nan 8.230 nan 0.000 0.435 213 V N -0.628 119.169 119.914 -0.195 0.000 2.427 213 V HA -0.262 3.886 4.120 0.045 0.000 0.248 213 V C 2.506 178.376 176.094 -0.374 0.000 1.051 213 V CA 1.633 63.626 62.300 -0.512 0.000 1.048 213 V CB -0.691 30.831 31.823 -0.502 0.000 0.666 213 V HN 0.545 nan 8.190 nan 0.000 0.456 214 Q N 0.444 120.141 119.800 -0.172 0.000 2.119 214 Q HA -0.197 4.170 4.340 0.045 0.000 0.201 214 Q C 2.170 178.110 176.000 -0.100 0.000 0.972 214 Q CA 1.744 57.477 55.803 -0.118 0.000 0.847 214 Q CB -0.363 28.362 28.738 -0.022 0.000 0.903 214 Q HN 0.681 nan 8.270 nan 0.000 0.433 215 Q N -0.472 119.279 119.800 -0.082 0.000 2.167 215 Q HA -0.168 4.199 4.340 0.045 0.000 0.202 215 Q C 1.736 177.696 176.000 -0.066 0.000 0.970 215 Q CA 1.342 57.113 55.803 -0.054 0.000 0.855 215 Q CB 0.010 28.730 28.738 -0.030 0.000 0.911 215 Q HN 0.366 nan 8.270 nan 0.000 0.438 216 E N 0.776 120.905 120.200 -0.118 0.000 2.150 216 E HA -0.109 4.268 4.350 0.045 0.000 0.193 216 E C 1.680 178.231 176.600 -0.082 0.000 0.985 216 E CA 1.164 57.506 56.400 -0.097 0.000 0.814 216 E CB -0.097 29.505 29.700 -0.163 0.000 0.752 216 E HN 0.327 nan 8.360 nan 0.000 0.466 217 A N 0.364 123.105 122.820 -0.132 0.000 1.898 217 A HA -0.094 4.253 4.320 0.045 0.000 0.216 217 A C 2.237 179.788 177.584 -0.055 0.000 1.181 217 A CA 1.268 53.244 52.037 -0.102 0.000 0.620 217 A CB -0.672 18.240 19.000 -0.147 0.000 0.819 217 A HN 0.326 nan 8.150 nan 0.000 0.442 218 L N -0.880 120.313 121.223 -0.049 0.000 2.083 218 L HA -0.173 4.194 4.340 0.045 0.000 0.209 218 L C 2.570 179.433 176.870 -0.012 0.000 1.083 218 L CA 1.757 56.583 54.840 -0.024 0.000 0.752 218 L CB -0.377 41.670 42.059 -0.019 0.000 0.899 218 L HN 0.340 nan 8.230 nan 0.000 0.433 219 K N 0.881 121.274 120.400 -0.013 0.000 2.147 219 K HA -0.132 4.215 4.320 0.045 0.000 0.205 219 K C 1.800 178.403 176.600 0.005 0.000 1.049 219 K CA 1.383 57.669 56.287 -0.001 0.000 0.936 219 K CB 0.011 32.513 32.500 0.003 0.000 0.722 219 K HN 0.129 nan 8.250 nan 0.000 0.446 220 R N -1.043 119.458 120.500 0.003 0.000 2.391 220 R HA 0.192 4.559 4.340 0.045 0.000 0.249 220 R C 0.475 176.779 176.300 0.007 0.000 0.957 220 R CA 0.507 56.612 56.100 0.009 0.000 1.093 220 R CB 0.343 30.652 30.300 0.016 0.000 1.156 220 R HN 0.419 nan 8.270 nan 0.000 0.526 221 G N 0.371 109.174 108.800 0.005 0.000 2.148 221 G HA2 -0.294 3.694 3.960 0.045 0.000 0.254 221 G HA3 -0.294 3.694 3.960 0.045 0.000 0.254 221 G C 0.171 175.076 174.900 0.009 0.000 0.981 221 G CA 0.007 45.114 45.100 0.011 0.000 0.670 221 G HN 0.379 nan 8.290 nan 0.000 0.528 222 C N -0.619 118.677 119.300 -0.007 0.000 2.399 222 C HA 0.658 5.145 4.460 0.045 0.000 0.348 222 C C 1.614 176.594 174.990 -0.016 0.000 1.183 222 C CA -0.354 58.654 59.018 -0.017 0.000 2.023 222 C CB 1.692 29.409 27.740 -0.039 0.000 2.361 222 C HN 0.547 nan 8.230 nan 0.000 0.521 223 E N -0.495 119.699 120.200 -0.010 0.000 2.216 223 E HA 0.033 4.410 4.350 0.045 0.000 0.192 223 E C 0.381 176.966 176.600 -0.025 0.000 0.973 223 E CA 0.682 57.080 56.400 -0.004 0.000 0.851 223 E CB 0.379 30.094 29.700 0.025 0.000 0.804 223 E HN 0.615 nan 8.360 nan 0.000 0.477 224 Q N -0.277 119.495 119.800 -0.046 0.000 2.615 224 Q HA 0.437 4.804 4.340 0.045 0.000 0.298 224 Q C -1.450 174.461 176.000 -0.148 0.000 1.023 224 Q CA -0.787 54.974 55.803 -0.071 0.000 0.768 224 Q CB 3.001 31.720 28.738 -0.031 0.000 1.500 224 Q HN -0.097 nan 8.270 nan 0.000 0.441 225 V N 1.886 121.656 119.914 -0.240 0.000 2.398 225 V HA 0.316 4.463 4.120 0.045 0.000 0.286 225 V C -0.810 174.990 176.094 -0.490 0.000 1.026 225 V CA -0.671 61.339 62.300 -0.485 0.000 0.868 225 V CB 1.320 32.574 31.823 -0.948 0.000 0.982 225 V HN 0.503 nan 8.190 nan 0.000 0.443 226 L N 5.905 126.914 121.223 -0.356 0.000 2.255 226 L HA 0.514 4.881 4.340 0.045 0.000 0.289 226 L C -0.839 175.920 176.870 -0.185 0.000 1.046 226 L CA -0.296 54.431 54.840 -0.188 0.000 0.816 226 L CB 0.475 42.477 42.059 -0.094 0.000 1.197 226 L HN 0.638 nan 8.230 nan 0.000 0.427 227 W N 6.705 128.027 121.300 0.036 0.000 2.388 227 W HA 0.441 5.126 4.660 0.041 0.000 0.308 227 W C -0.391 176.171 176.519 0.073 0.000 1.263 227 W CA -0.394 56.991 57.345 0.065 0.000 1.286 227 W CB 0.352 29.841 29.460 0.048 0.000 1.294 227 W HN 0.338 nan 8.180 nan 0.000 0.493 228 L N 4.037 125.449 121.223 0.316 0.000 2.343 228 L HA 0.511 4.879 4.340 0.045 0.000 0.275 228 L C -0.658 176.413 176.870 0.335 0.000 1.056 228 L CA -1.282 53.696 54.840 0.229 0.000 0.804 228 L CB 0.881 42.983 42.059 0.072 0.000 1.203 228 L HN 0.331 nan 8.230 nan 0.000 0.440 229 Y N 1.066 121.460 120.300 0.156 0.000 2.524 229 Y HA 0.653 5.231 4.550 0.046 0.000 0.347 229 Y C 0.257 176.255 175.900 0.164 0.000 1.005 229 Y CA -0.024 58.170 58.100 0.157 0.000 1.025 229 Y CB 2.021 40.555 38.460 0.123 0.000 1.275 229 Y HN 0.762 nan 8.280 nan 0.000 0.460 230 G N 5.321 113.691 108.800 -0.717 0.000 2.829 230 G HA2 -0.185 3.802 3.960 0.045 0.000 0.628 230 G HA3 -0.185 3.802 3.960 0.045 0.000 0.628 230 G C -2.193 172.640 174.900 -0.112 0.000 1.412 230 G CA -0.471 44.330 45.100 -0.499 0.000 0.864 230 G HN 0.599 nan 8.290 nan 0.000 0.544 231 P HA 0.045 nan 4.420 nan 0.000 0.229 231 P C 0.817 178.014 177.300 -0.171 0.000 1.160 231 P CA 1.782 64.828 63.100 -0.090 0.000 0.777 231 P CB 0.032 31.682 31.700 -0.084 0.000 0.814 232 D N -1.784 118.557 120.400 -0.098 0.000 2.340 232 D HA -0.084 4.583 4.640 0.045 0.000 0.217 232 D C -0.097 176.206 176.300 0.006 0.000 1.081 232 D CA -0.554 53.395 54.000 -0.085 0.000 0.842 232 D CB -1.664 39.123 40.800 -0.022 0.000 0.934 232 D HN 0.302 nan 8.370 nan 0.000 0.511 233 H N 0.416 119.504 119.070 0.031 0.000 2.591 233 H HA -0.162 4.421 4.556 0.046 0.000 0.325 233 H C -0.513 174.835 175.328 0.033 0.000 1.096 233 H CA -0.010 56.069 56.048 0.051 0.000 1.108 233 H CB -1.611 28.207 29.762 0.093 0.000 1.590 233 H HN 0.382 nan 8.280 nan 0.000 0.399 234 Q N 1.413 121.321 119.800 0.180 0.000 2.313 234 Q HA 0.238 4.605 4.340 0.045 0.000 0.266 234 Q C -0.039 176.034 176.000 0.122 0.000 0.989 234 Q CA -0.519 55.368 55.803 0.139 0.000 0.890 234 Q CB 0.933 29.778 28.738 0.178 0.000 1.200 234 Q HN 0.237 nan 8.270 nan 0.000 0.396 235 L N 2.748 124.001 121.223 0.050 0.000 2.315 235 L HA 0.072 4.440 4.340 0.045 0.000 0.283 235 L C 1.311 178.196 176.870 0.025 0.000 1.089 235 L CA 0.560 55.411 54.840 0.020 0.000 0.833 235 L CB 0.756 42.783 42.059 -0.053 0.000 1.170 235 L HN 0.870 nan 8.230 nan 0.000 0.442 236 T N -0.792 113.808 114.554 0.075 0.000 3.156 236 T HA 0.322 4.699 4.350 0.045 0.000 0.236 236 T C 0.486 175.198 174.700 0.020 0.000 0.978 236 T CA -0.157 61.966 62.100 0.038 0.000 1.240 236 T CB 0.398 69.297 68.868 0.052 0.000 0.951 236 T HN 0.370 nan 8.240 nan 0.000 0.420 237 E N 0.260 120.538 120.200 0.129 0.000 2.416 237 E HA 0.631 5.008 4.350 0.045 0.000 0.273 237 E C -1.676 175.080 176.600 0.260 0.000 0.935 237 E CA -0.833 55.661 56.400 0.157 0.000 0.784 237 E CB 2.878 32.666 29.700 0.147 0.000 1.301 237 E HN 0.135 nan 8.360 nan 0.000 0.454 238 V N 1.827 121.858 119.914 0.195 0.000 2.325 238 V HA 0.446 4.593 4.120 0.045 0.000 0.280 238 V C 0.877 177.084 176.094 0.189 0.000 1.016 238 V CA 0.514 62.896 62.300 0.137 0.000 0.818 238 V CB 0.313 32.179 31.823 0.071 0.000 1.019 238 V HN 0.985 nan 8.190 nan 0.000 0.434 239 G N 5.391 114.344 108.800 0.255 0.000 2.620 239 G HA2 -0.342 3.645 3.960 0.045 0.000 0.315 239 G HA3 -0.342 3.645 3.960 0.045 0.000 0.315 239 G C 0.783 175.908 174.900 0.376 0.000 1.179 239 G CA 0.842 46.129 45.100 0.311 0.000 0.971 239 G HN 1.361 nan 8.290 nan 0.000 0.544 240 T N -1.673 113.023 114.554 0.237 0.000 3.293 240 T HA 0.728 5.105 4.350 0.045 0.000 0.276 240 T C 0.393 175.184 174.700 0.152 0.000 1.003 240 T CA 0.392 62.629 62.100 0.228 0.000 0.916 240 T CB -0.103 68.905 68.868 0.233 0.000 1.134 240 T HN 0.559 nan 8.240 nan 0.000 0.530 241 M N 1.398 121.081 119.600 0.139 0.000 2.591 241 M HA 0.482 4.990 4.480 0.045 0.000 0.306 241 M C -0.545 175.813 176.300 0.096 0.000 1.190 241 M CA -0.941 54.424 55.300 0.109 0.000 0.889 241 M CB 1.896 34.560 32.600 0.106 0.000 1.728 241 M HN -0.024 nan 8.290 nan 0.000 0.458 242 N N 1.402 120.154 118.700 0.087 0.000 2.513 242 N HA 0.472 5.239 4.740 0.045 0.000 0.274 242 N C -1.260 174.270 175.510 0.033 0.000 1.189 242 N CA -0.193 52.871 53.050 0.024 0.000 0.975 242 N CB 1.717 40.207 38.487 0.005 0.000 1.157 242 N HN 0.608 nan 8.380 nan 0.000 0.465 243 I N 1.184 121.685 120.570 -0.115 0.000 2.412 243 I HA 0.424 4.621 4.170 0.045 0.000 0.296 243 I C -1.259 174.621 176.117 -0.394 0.000 0.987 243 I CA -0.621 60.593 61.300 -0.144 0.000 1.180 243 I CB 0.622 38.548 38.000 -0.123 0.000 1.340 243 I HN 0.266 nan 8.210 nan 0.000 0.455 244 F N 5.613 125.264 119.950 -0.499 0.000 2.551 244 F HA 0.582 5.136 4.527 0.045 0.000 0.316 244 F C -0.580 174.804 175.800 -0.694 0.000 1.089 244 F CA -0.635 56.952 58.000 -0.688 0.000 0.915 244 F CB 2.153 40.425 39.000 -1.214 0.000 1.186 244 F HN -0.015 nan 8.300 nan 0.000 0.456 245 V N 3.040 122.731 119.914 -0.372 0.000 2.531 245 V HA 0.299 4.447 4.120 0.045 0.000 0.301 245 V C -1.556 174.383 176.094 -0.258 0.000 1.034 245 V CA -0.975 61.063 62.300 -0.436 0.000 0.865 245 V CB 1.879 33.174 31.823 -0.880 0.000 0.995 245 V HN 0.553 nan 8.190 nan 0.000 0.424 246 Y N 7.081 127.279 120.300 -0.171 0.000 2.356 246 Y HA 0.743 5.321 4.550 0.046 0.000 0.334 246 Y C -0.922 175.042 175.900 0.106 0.000 0.958 246 Y CA -1.491 56.603 58.100 -0.010 0.000 1.196 246 Y CB 1.060 39.579 38.460 0.099 0.000 1.137 246 Y HN 0.782 nan 8.280 nan 0.000 0.485 247 W N 2.534 123.746 121.300 -0.146 0.000 2.961 247 W HA 0.639 5.328 4.660 0.048 0.000 0.368 247 W C -1.863 174.561 176.519 -0.158 0.000 1.213 247 W CA -1.752 55.490 57.345 -0.170 0.000 1.173 247 W CB 0.282 29.730 29.460 -0.020 0.000 1.487 247 W HN 0.241 nan 8.180 nan 0.000 0.585 248 T N 2.364 116.949 114.554 0.051 0.000 2.738 248 T HA 0.179 4.557 4.350 0.045 0.000 0.298 248 T C -0.036 174.493 174.700 -0.285 0.000 0.962 248 T CA -0.116 61.938 62.100 -0.075 0.000 0.972 248 T CB -0.230 68.591 68.868 -0.077 0.000 0.928 248 T HN 0.449 nan 8.240 nan 0.000 0.474 249 H N 2.279 121.077 119.070 -0.453 0.000 2.703 249 H HA 0.086 4.670 4.556 0.046 0.000 0.377 249 H C 1.145 176.220 175.328 -0.420 0.000 1.392 249 H CA 0.012 55.648 56.048 -0.687 0.000 1.458 249 H CB 0.855 30.391 29.762 -0.376 0.000 1.529 249 H HN 0.717 nan 8.280 nan 0.000 0.619 250 E N -0.066 119.508 120.200 -1.043 0.000 2.267 250 E HA -0.184 4.193 4.350 0.045 0.000 0.197 250 E C 0.846 177.207 176.600 -0.400 0.000 0.998 250 E CA 1.184 57.182 56.400 -0.670 0.000 0.830 250 E CB 0.053 29.334 29.700 -0.700 0.000 0.751 250 E HN 0.562 nan 8.360 nan 0.000 0.491 251 D N -0.856 119.342 120.400 -0.335 0.000 2.328 251 D HA 0.034 4.701 4.640 0.045 0.000 0.221 251 D C 1.237 177.493 176.300 -0.074 0.000 1.072 251 D CA 0.609 54.531 54.000 -0.131 0.000 0.850 251 D CB 0.250 41.032 40.800 -0.030 0.000 0.922 251 D HN 0.173 nan 8.370 nan 0.000 0.516 252 G N -0.323 108.417 108.800 -0.100 0.000 2.159 252 G HA2 -0.247 3.740 3.960 0.045 0.000 0.256 252 G HA3 -0.247 3.740 3.960 0.045 0.000 0.256 252 G C 0.073 174.966 174.900 -0.011 0.000 0.977 252 G CA 0.288 45.353 45.100 -0.058 0.000 0.652 252 G HN 0.383 nan 8.290 nan 0.000 0.531 253 V N 1.298 121.226 119.914 0.023 0.000 2.481 253 V HA 0.629 4.776 4.120 0.045 0.000 0.286 253 V C 0.703 176.856 176.094 0.098 0.000 1.042 253 V CA -0.875 61.471 62.300 0.077 0.000 0.928 253 V CB 1.693 33.584 31.823 0.112 0.000 0.986 253 V HN 0.414 nan 8.190 nan 0.000 0.462 254 L N 5.924 127.214 121.223 0.113 0.000 2.418 254 L HA 0.422 4.790 4.340 0.045 0.000 0.274 254 L C 0.146 177.161 176.870 0.241 0.000 1.135 254 L CA 0.700 55.603 54.840 0.105 0.000 0.870 254 L CB 0.025 42.134 42.059 0.083 0.000 1.154 254 L HN 0.937 nan 8.230 nan 0.000 0.462 255 E N 3.974 124.336 120.200 0.269 0.000 2.413 255 E HA 0.559 4.936 4.350 0.045 0.000 0.277 255 E C -1.734 175.139 176.600 0.455 0.000 0.958 255 E CA -1.063 55.584 56.400 0.412 0.000 0.779 255 E CB 1.522 31.441 29.700 0.366 0.000 1.278 255 E HN 0.404 nan 8.360 nan 0.000 0.456 256 L N 2.204 123.718 121.223 0.484 0.000 2.305 256 L HA 0.645 5.012 4.340 0.045 0.000 0.284 256 L C -1.489 175.556 176.870 0.291 0.000 1.013 256 L CA -0.782 54.312 54.840 0.424 0.000 0.819 256 L CB 1.547 43.942 42.059 0.560 0.000 1.227 256 L HN 0.580 nan 8.230 nan 0.000 0.417 257 V N 4.790 124.763 119.914 0.098 0.000 2.769 257 V HA 0.817 4.965 4.120 0.045 0.000 0.312 257 V C -0.700 175.249 176.094 -0.241 0.000 1.061 257 V CA 0.030 62.309 62.300 -0.035 0.000 0.931 257 V CB 2.375 34.178 31.823 -0.033 0.000 1.010 257 V HN 0.933 nan 8.190 nan 0.000 0.433 258 T N 6.304 120.663 114.554 -0.325 0.000 2.923 258 T HA 0.603 4.981 4.350 0.045 0.000 0.311 258 T C -3.042 171.453 174.700 -0.342 0.000 1.183 258 T CA -1.426 60.325 62.100 -0.581 0.000 1.020 258 T CB 2.246 70.415 68.868 -1.166 0.000 1.165 258 T HN 0.556 nan 8.240 nan 0.000 0.482 259 P HA 0.230 nan 4.420 nan 0.000 0.266 259 P C -2.451 174.750 177.300 -0.166 0.000 1.195 259 P CA -0.853 62.139 63.100 -0.180 0.000 0.768 259 P CB 0.098 31.707 31.700 -0.152 0.000 0.838 260 P HA 0.129 nan 4.420 nan 0.000 0.276 260 P C -0.482 176.754 177.300 -0.108 0.000 1.252 260 P CA -0.120 62.922 63.100 -0.097 0.000 0.802 260 P CB 0.742 32.406 31.700 -0.060 0.000 1.035 261 L N 2.281 123.440 121.223 -0.108 0.000 2.391 261 L HA 0.137 4.505 4.340 0.045 0.000 0.249 261 L C 1.280 178.081 176.870 -0.115 0.000 1.308 261 L CA -0.100 54.663 54.840 -0.127 0.000 1.209 261 L CB -1.151 40.830 42.059 -0.129 0.000 1.401 261 L HN 0.404 nan 8.230 nan 0.000 0.416 262 N N 0.349 118.983 118.700 -0.110 0.000 2.230 262 N HA 0.117 4.884 4.740 0.045 0.000 0.202 262 N C 0.989 176.431 175.510 -0.113 0.000 1.119 262 N CA 0.507 53.505 53.050 -0.086 0.000 0.851 262 N CB 1.125 39.585 38.487 -0.045 0.000 0.990 262 N HN 0.472 nan 8.380 nan 0.000 0.497 263 G N -0.391 108.306 108.800 -0.171 0.000 2.428 263 G HA2 -0.266 3.721 3.960 0.045 0.000 0.199 263 G HA3 -0.266 3.721 3.960 0.045 0.000 0.199 263 G C 0.613 175.339 174.900 -0.289 0.000 1.005 263 G CA 0.120 45.093 45.100 -0.211 0.000 0.671 263 G HN 0.660 nan 8.290 nan 0.000 0.485 264 V N -0.634 119.092 119.914 -0.314 0.000 3.647 264 V HA 0.565 4.712 4.120 0.045 0.000 0.279 264 V C 0.677 176.587 176.094 -0.307 0.000 1.314 264 V CA -0.228 61.836 62.300 -0.393 0.000 1.125 264 V CB 0.041 31.518 31.823 -0.576 0.000 0.907 264 V HN 0.280 nan 8.190 nan 0.000 0.434 265 I N 2.294 122.712 120.570 -0.253 0.000 2.377 265 I HA 0.420 4.617 4.170 0.045 0.000 0.293 265 I C -0.321 175.665 176.117 -0.218 0.000 0.987 265 I CA -0.979 60.196 61.300 -0.209 0.000 1.185 265 I CB 1.691 39.583 38.000 -0.179 0.000 1.341 265 I HN 0.073 nan 8.210 nan 0.000 0.455 266 L N 9.029 130.141 121.223 -0.185 0.000 2.313 266 L HA 0.355 4.723 4.340 0.045 0.000 0.282 266 L C -2.003 174.782 176.870 -0.143 0.000 1.092 266 L CA -1.423 53.315 54.840 -0.170 0.000 0.831 266 L CB 1.056 43.051 42.059 -0.107 0.000 1.159 266 L HN 0.305 nan 8.230 nan 0.000 0.442 267 P HA 0.086 nan 4.420 nan 0.000 0.263 267 P C 0.238 177.484 177.300 -0.090 0.000 1.601 267 P CA -0.185 62.838 63.100 -0.129 0.000 1.161 267 P CB -0.073 31.538 31.700 -0.149 0.000 1.730 268 G N 1.997 110.762 108.800 -0.058 0.000 2.491 268 G HA2 0.161 4.148 3.960 0.045 0.000 0.242 268 G HA3 0.161 4.148 3.960 0.045 0.000 0.242 268 G C 1.170 176.058 174.900 -0.021 0.000 1.266 268 G CA -0.557 44.531 45.100 -0.020 0.000 0.844 268 G HN 0.201 nan 8.290 nan 0.000 0.571 269 V N 2.402 122.310 119.914 -0.010 0.000 2.453 269 V HA -0.132 4.015 4.120 0.045 0.000 0.247 269 V C 2.867 178.968 176.094 0.012 0.000 1.048 269 V CA 1.259 63.541 62.300 -0.030 0.000 1.049 269 V CB -0.359 31.459 31.823 -0.010 0.000 0.672 269 V HN 0.536 nan 8.190 nan 0.000 0.457 270 V N 0.366 120.321 119.914 0.070 0.000 2.427 270 V HA -0.214 3.934 4.120 0.045 0.000 0.248 270 V C 2.555 178.647 176.094 -0.003 0.000 1.051 270 V CA 2.173 64.498 62.300 0.041 0.000 1.048 270 V CB -0.841 30.985 31.823 0.005 0.000 0.666 270 V HN 0.514 nan 8.190 nan 0.000 0.456 271 R N 0.285 120.836 120.500 0.084 0.000 2.083 271 R HA -0.285 4.083 4.340 0.045 0.000 0.237 271 R C 2.396 178.790 176.300 0.156 0.000 1.137 271 R CA 2.369 58.612 56.100 0.240 0.000 0.951 271 R CB -0.299 30.089 30.300 0.148 0.000 0.851 271 R HN 0.472 nan 8.270 nan 0.000 0.434 272 Q N 0.343 120.153 119.800 0.017 0.000 2.124 272 Q HA -0.053 4.314 4.340 0.045 0.000 0.202 272 Q C 1.931 177.882 176.000 -0.082 0.000 0.977 272 Q CA 2.305 58.087 55.803 -0.035 0.000 0.850 272 Q CB -0.051 28.631 28.738 -0.094 0.000 0.901 272 Q HN 0.337 nan 8.270 nan 0.000 0.429 273 S N -0.128 115.465 115.700 -0.177 0.000 2.383 273 S HA -0.040 4.457 4.470 0.045 0.000 0.227 273 S C 1.735 176.289 174.600 -0.076 0.000 1.026 273 S CA 1.021 59.056 58.200 -0.276 0.000 0.981 273 S CB -0.207 62.798 63.200 -0.324 0.000 0.818 273 S HN 0.380 nan 8.310 nan 0.000 0.472 274 L N 0.822 121.912 121.223 -0.222 0.000 2.109 274 L HA -0.005 4.362 4.340 0.045 0.000 0.207 274 L C 2.175 178.959 176.870 -0.144 0.000 1.086 274 L CA 0.871 55.395 54.840 -0.527 0.000 0.760 274 L CB -0.584 40.826 42.059 -1.082 0.000 0.910 274 L HN 0.286 nan 8.230 nan 0.000 0.437 275 L N -0.403 120.851 121.223 0.052 0.000 2.056 275 L HA -0.195 4.172 4.340 0.045 0.000 0.207 275 L C 2.236 179.147 176.870 0.069 0.000 1.078 275 L CA 1.048 55.971 54.840 0.138 0.000 0.749 275 L CB -0.518 41.628 42.059 0.145 0.000 0.901 275 L HN 0.250 nan 8.230 nan 0.000 0.433 276 D N -0.397 120.052 120.400 0.081 0.000 2.117 276 D HA -0.215 4.453 4.640 0.045 0.000 0.198 276 D C 2.148 178.480 176.300 0.053 0.000 0.982 276 D CA 1.246 55.325 54.000 0.132 0.000 0.828 276 D CB -0.071 40.925 40.800 0.328 0.000 0.967 276 D HN 0.239 nan 8.370 nan 0.000 0.464 277 M N 0.437 120.055 119.600 0.030 0.000 2.099 277 M HA -0.127 4.380 4.480 0.045 0.000 0.262 277 M C 2.000 177.780 176.300 -0.867 0.000 1.067 277 M CA 1.592 56.736 55.300 -0.260 0.000 1.124 277 M CB 0.077 32.630 32.600 -0.078 0.000 1.353 277 M HN 0.004 nan 8.290 nan 0.000 0.410 278 A N -0.634 121.815 122.820 -0.618 0.000 2.015 278 A HA -0.214 4.134 4.320 0.045 0.000 0.219 278 A C 1.860 179.215 177.584 -0.383 0.000 1.163 278 A CA 1.742 53.382 52.037 -0.663 0.000 0.646 278 A CB -0.651 18.344 19.000 -0.007 0.000 0.806 278 A HN 0.624 nan 8.150 nan 0.000 0.448 279 Q N -0.468 119.214 119.800 -0.196 0.000 2.083 279 Q HA -0.077 4.290 4.340 0.045 0.000 0.198 279 Q C 1.978 177.928 176.000 -0.082 0.000 0.969 279 Q CA 2.263 58.013 55.803 -0.089 0.000 0.838 279 Q CB -0.628 28.101 28.738 -0.015 0.000 0.900 279 Q HN 0.550 nan 8.270 nan 0.000 0.436 280 T N -0.148 114.337 114.554 -0.114 0.000 2.788 280 T HA -0.142 4.235 4.350 0.045 0.000 0.268 280 T C 0.904 175.649 174.700 0.075 0.000 1.044 280 T CA 1.260 63.340 62.100 -0.034 0.000 1.139 280 T CB -0.325 68.518 68.868 -0.042 0.000 0.867 280 T HN 0.400 nan 8.240 nan 0.000 0.454 281 W N 0.943 122.202 121.300 -0.069 0.000 2.358 281 W HA 0.206 4.892 4.660 0.043 0.000 0.303 281 W C 2.088 178.526 176.519 -0.135 0.000 1.208 281 W CA 0.738 58.016 57.345 -0.112 0.000 1.274 281 W CB -1.410 27.943 29.460 -0.179 0.000 1.138 281 W HN 0.456 nan 8.180 nan 0.000 0.515 282 G N 0.591 109.420 108.800 0.049 0.000 2.249 282 G HA2 -0.353 3.634 3.960 0.045 0.000 0.273 282 G HA3 -0.353 3.634 3.960 0.045 0.000 0.273 282 G C 0.792 175.679 174.900 -0.021 0.000 1.036 282 G CA 0.699 45.792 45.100 -0.012 0.000 0.824 282 G HN 0.418 nan 8.290 nan 0.000 0.504 283 E N -1.485 118.650 120.200 -0.108 0.000 2.340 283 E HA 0.350 4.728 4.350 0.045 0.000 0.194 283 E C 0.780 177.469 176.600 0.147 0.000 0.996 283 E CA 0.783 57.182 56.400 -0.002 0.000 0.869 283 E CB 0.229 29.958 29.700 0.048 0.000 0.835 283 E HN 0.824 nan 8.360 nan 0.000 0.493 284 F N -1.954 118.132 119.950 0.226 0.000 2.745 284 F HA 0.480 5.034 4.527 0.044 0.000 0.316 284 F C -0.631 175.296 175.800 0.211 0.000 1.155 284 F CA -1.681 56.457 58.000 0.230 0.000 0.937 284 F CB 0.861 40.057 39.000 0.327 0.000 1.361 284 F HN -0.434 nan 8.300 nan 0.000 0.472 285 R N 1.088 121.877 120.500 0.483 0.000 2.438 285 R HA 0.646 5.013 4.340 0.045 0.000 0.287 285 R C -1.705 174.850 176.300 0.425 0.000 1.077 285 R CA -0.365 55.936 56.100 0.335 0.000 1.034 285 R CB 0.999 31.453 30.300 0.257 0.000 0.993 285 R HN 0.660 nan 8.270 nan 0.000 0.459 286 V N 6.471 126.554 119.914 0.282 0.000 2.376 286 V HA 0.358 4.505 4.120 0.045 0.000 0.287 286 V C -0.339 175.862 176.094 0.178 0.000 1.015 286 V CA -0.626 61.842 62.300 0.281 0.000 0.834 286 V CB 1.266 33.220 31.823 0.219 0.000 1.001 286 V HN 0.655 nan 8.190 nan 0.000 0.428 287 V N 1.587 121.597 119.914 0.160 0.000 3.102 287 V HA 0.732 4.880 4.120 0.045 0.000 0.312 287 V C -0.731 175.382 176.094 0.031 0.000 1.135 287 V CA -0.898 61.453 62.300 0.085 0.000 1.022 287 V CB 2.540 34.404 31.823 0.069 0.000 1.056 287 V HN 0.771 nan 8.190 nan 0.000 0.436 288 E N 1.952 122.151 120.200 -0.001 0.000 2.102 288 E HA 0.677 5.054 4.350 0.045 0.000 0.263 288 E C -0.710 175.868 176.600 -0.036 0.000 0.894 288 E CA -0.492 55.879 56.400 -0.049 0.000 0.746 288 E CB 1.915 31.584 29.700 -0.051 0.000 1.129 288 E HN 0.641 nan 8.360 nan 0.000 0.416 289 R N 1.787 122.258 120.500 -0.048 0.000 2.663 289 R HA 0.229 4.596 4.340 0.045 0.000 0.267 289 R C -0.902 175.385 176.300 -0.022 0.000 1.038 289 R CA -0.536 55.553 56.100 -0.019 0.000 0.886 289 R CB 2.118 32.418 30.300 -0.000 0.000 1.249 289 R HN 0.467 nan 8.270 nan 0.000 0.463 290 T N 2.984 117.543 114.554 0.009 0.000 2.928 290 T HA 0.324 4.702 4.350 0.045 0.000 0.305 290 T C 0.045 174.777 174.700 0.053 0.000 1.035 290 T CA 0.154 62.268 62.100 0.024 0.000 1.145 290 T CB -0.004 68.895 68.868 0.051 0.000 0.963 290 T HN 0.325 nan 8.240 nan 0.000 0.545 291 I N 4.725 125.315 120.570 0.033 0.000 2.406 291 I HA 0.358 4.555 4.170 0.045 0.000 0.290 291 I C 0.667 176.824 176.117 0.067 0.000 0.999 291 I CA -0.861 60.476 61.300 0.061 0.000 1.124 291 I CB 2.160 40.114 38.000 -0.077 0.000 1.289 291 I HN 0.682 nan 8.210 nan 0.000 0.441 292 T N 2.444 117.066 114.554 0.113 0.000 2.945 292 T HA 0.367 4.745 4.350 0.045 0.000 0.286 292 T C 0.990 175.721 174.700 0.052 0.000 1.025 292 T CA -0.906 61.242 62.100 0.081 0.000 1.039 292 T CB 1.739 70.657 68.868 0.083 0.000 1.068 292 T HN 0.348 nan 8.240 nan 0.000 0.497 293 M N 0.651 120.243 119.600 -0.014 0.000 2.279 293 M HA 0.014 4.521 4.480 0.045 0.000 0.264 293 M C 2.112 178.400 176.300 -0.020 0.000 1.062 293 M CA 1.484 56.701 55.300 -0.139 0.000 1.099 293 M CB -1.259 31.064 32.600 -0.462 0.000 1.394 293 M HN 0.865 nan 8.290 nan 0.000 0.426 294 K N 0.220 120.649 120.400 0.047 0.000 2.057 294 K HA -0.185 4.162 4.320 0.045 0.000 0.207 294 K C 1.918 178.567 176.600 0.083 0.000 1.049 294 K CA 1.365 57.695 56.287 0.071 0.000 0.931 294 K CB 0.046 32.580 32.500 0.056 0.000 0.714 294 K HN 0.399 nan 8.250 nan 0.000 0.440 295 Q N 0.291 120.162 119.800 0.118 0.000 2.079 295 Q HA -0.157 4.211 4.340 0.045 0.000 0.200 295 Q C 2.155 178.316 176.000 0.267 0.000 0.974 295 Q CA 1.183 57.089 55.803 0.171 0.000 0.840 295 Q CB -0.052 28.862 28.738 0.294 0.000 0.898 295 Q HN 0.235 nan 8.270 nan 0.000 0.430 296 L N 0.463 121.853 121.223 0.279 0.000 2.056 296 L HA -0.132 4.236 4.340 0.045 0.000 0.207 296 L C 1.944 178.917 176.870 0.172 0.000 1.078 296 L CA 1.428 56.436 54.840 0.281 0.000 0.749 296 L CB -0.329 41.790 42.059 0.100 0.000 0.901 296 L HN 0.184 nan 8.230 nan 0.000 0.433 297 L N -0.683 120.604 121.223 0.107 0.000 2.042 297 L HA -0.241 4.127 4.340 0.045 0.000 0.210 297 L C 2.828 179.750 176.870 0.086 0.000 1.076 297 L CA 1.684 56.582 54.840 0.096 0.000 0.749 297 L CB -0.476 41.647 42.059 0.106 0.000 0.893 297 L HN 0.303 nan 8.230 nan 0.000 0.432 298 R N -0.048 120.495 120.500 0.071 0.000 2.075 298 R HA -0.158 4.210 4.340 0.045 0.000 0.232 298 R C 2.259 178.573 176.300 0.024 0.000 1.126 298 R CA 1.356 57.475 56.100 0.032 0.000 0.963 298 R CB -0.200 30.100 30.300 -0.001 0.000 0.858 298 R HN 0.349 nan 8.270 nan 0.000 0.435 299 A N 0.854 123.707 122.820 0.054 0.000 1.969 299 A HA -0.076 4.271 4.320 0.045 0.000 0.218 299 A C 2.135 179.781 177.584 0.102 0.000 1.169 299 A CA 0.918 52.993 52.037 0.063 0.000 0.635 299 A CB -0.343 18.766 19.000 0.182 0.000 0.810 299 A HN 0.329 nan 8.150 nan 0.000 0.445 300 L N -0.889 120.405 121.223 0.118 0.000 2.109 300 L HA -0.138 4.229 4.340 0.045 0.000 0.207 300 L C 2.500 179.416 176.870 0.076 0.000 1.086 300 L CA 1.331 56.232 54.840 0.101 0.000 0.760 300 L CB -0.427 41.691 42.059 0.098 0.000 0.910 300 L HN 0.443 nan 8.230 nan 0.000 0.437 301 E N -0.060 120.177 120.200 0.063 0.000 2.208 301 E HA -0.184 4.193 4.350 0.045 0.000 0.193 301 E C 1.539 178.159 176.600 0.032 0.000 0.988 301 E CA 0.778 57.207 56.400 0.048 0.000 0.828 301 E CB 0.116 29.841 29.700 0.042 0.000 0.763 301 E HN 0.516 nan 8.360 nan 0.000 0.478 302 E N -0.435 119.779 120.200 0.023 0.000 2.479 302 E HA 0.064 4.442 4.350 0.045 0.000 0.193 302 E C 0.693 177.300 176.600 0.011 0.000 1.049 302 E CA 0.191 56.594 56.400 0.005 0.000 0.870 302 E CB 0.620 30.306 29.700 -0.023 0.000 0.944 302 E HN 0.301 nan 8.360 nan 0.000 0.492 303 G N 2.200 111.020 108.800 0.033 0.000 2.221 303 G HA2 -0.353 3.634 3.960 0.045 0.000 0.265 303 G HA3 -0.353 3.634 3.960 0.045 0.000 0.265 303 G C 0.749 175.669 174.900 0.034 0.000 1.041 303 G CA 0.463 45.587 45.100 0.040 0.000 0.807 303 G HN 0.266 nan 8.290 nan 0.000 0.502 304 R N -1.194 119.329 120.500 0.039 0.000 2.280 304 R HA 0.214 4.581 4.340 0.045 0.000 0.195 304 R C 0.908 177.275 176.300 0.112 0.000 0.935 304 R CA 0.330 56.450 56.100 0.032 0.000 1.033 304 R CB 0.592 30.871 30.300 -0.035 0.000 0.964 304 R HN 0.349 nan 8.270 nan 0.000 0.489 305 V N 1.486 121.494 119.914 0.157 0.000 2.461 305 V HA 0.132 4.280 4.120 0.045 0.000 0.275 305 V C 0.970 177.127 176.094 0.105 0.000 1.047 305 V CA 0.042 62.460 62.300 0.196 0.000 0.955 305 V CB 1.551 33.488 31.823 0.191 0.000 0.988 305 V HN 0.194 nan 8.190 nan 0.000 0.471 306 R N 2.246 122.795 120.500 0.081 0.000 2.072 306 R HA 0.309 4.676 4.340 0.045 0.000 0.214 306 R C 0.026 176.421 176.300 0.159 0.000 1.168 306 R CA 0.461 56.604 56.100 0.071 0.000 1.020 306 R CB 0.428 30.698 30.300 -0.051 0.000 0.914 306 R HN 0.748 nan 8.270 nan 0.000 0.449 307 E N -0.231 120.119 120.200 0.250 0.000 2.356 307 E HA 0.409 4.786 4.350 0.045 0.000 0.275 307 E C -1.709 175.071 176.600 0.300 0.000 0.904 307 E CA -0.629 55.952 56.400 0.300 0.000 0.757 307 E CB 3.391 33.330 29.700 0.398 0.000 1.232 307 E HN -0.198 nan 8.360 nan 0.000 0.442 308 V N 2.988 123.061 119.914 0.264 0.000 2.709 308 V HA 0.665 4.813 4.120 0.045 0.000 0.308 308 V C -1.131 175.153 176.094 0.317 0.000 1.062 308 V CA -0.766 61.620 62.300 0.143 0.000 0.901 308 V CB 0.879 32.705 31.823 0.005 0.000 1.003 308 V HN 0.646 nan 8.190 nan 0.000 0.425 309 F N 1.414 121.417 119.950 0.088 0.000 2.686 309 F HA 0.951 5.504 4.527 0.044 0.000 0.311 309 F C 0.052 175.931 175.800 0.131 0.000 1.128 309 F CA -1.035 57.020 58.000 0.091 0.000 0.946 309 F CB 1.423 40.468 39.000 0.076 0.000 1.336 309 F HN 0.640 nan 8.300 nan 0.000 0.457 310 G N 0.103 109.094 108.800 0.318 0.000 2.417 310 G HA2 0.585 4.572 3.960 0.045 0.000 0.334 310 G HA3 0.585 4.572 3.960 0.045 0.000 0.334 310 G C -1.476 173.584 174.900 0.266 0.000 1.150 310 G CA -0.643 44.591 45.100 0.224 0.000 0.923 310 G HN 1.119 nan 8.290 nan 0.000 0.485 311 S N -0.283 115.557 115.700 0.232 0.000 2.526 311 S HA 0.934 5.431 4.470 0.045 0.000 0.293 311 S C -0.176 174.492 174.600 0.114 0.000 1.092 311 S CA -0.129 58.170 58.200 0.165 0.000 0.980 311 S CB 2.114 65.422 63.200 0.180 0.000 1.048 311 S HN 1.947 nan 8.310 nan 0.000 0.483 312 G N 0.609 109.450 108.800 0.068 0.000 2.368 312 G HA2 0.432 4.420 3.960 0.045 0.000 0.293 312 G HA3 0.432 4.420 3.960 0.045 0.000 0.293 312 G C 0.093 175.027 174.900 0.057 0.000 1.467 312 G CA -0.160 44.979 45.100 0.065 0.000 0.804 312 G HN 0.563 nan 8.290 nan 0.000 0.535 313 T N 0.888 115.501 114.554 0.099 0.000 2.746 313 T HA -0.025 4.353 4.350 0.045 0.000 0.267 313 T C 2.759 177.538 174.700 0.131 0.000 1.039 313 T CA 2.767 64.953 62.100 0.144 0.000 1.142 313 T CB -0.354 68.661 68.868 0.244 0.000 0.866 313 T HN 0.932 nan 8.240 nan 0.000 0.444 314 A N 1.219 124.070 122.820 0.050 0.000 1.855 314 A HA 0.253 4.601 4.320 0.045 0.000 0.215 314 A C 2.469 179.992 177.584 -0.101 0.000 1.191 314 A CA 1.729 53.688 52.037 -0.130 0.000 0.613 314 A CB -0.894 17.758 19.000 -0.580 0.000 0.829 314 A HN 0.503 nan 8.150 nan 0.000 0.442 315 A N -3.226 119.546 122.820 -0.079 0.000 2.195 315 A HA 0.260 4.607 4.320 0.045 0.000 0.210 315 A C 1.355 178.941 177.584 0.002 0.000 1.165 315 A CA 1.168 53.181 52.037 -0.039 0.000 0.806 315 A CB -0.073 18.907 19.000 -0.033 0.000 0.847 315 A HN 0.432 nan 8.150 nan 0.000 0.482 316 Q N -2.109 117.695 119.800 0.007 0.000 1.945 316 Q HA -0.232 4.136 4.340 0.045 0.000 0.247 316 Q C -0.025 175.965 176.000 -0.017 0.000 2.684 316 Q CA 2.112 57.907 55.803 -0.014 0.000 0.607 316 Q CB -1.700 27.030 28.738 -0.013 0.000 1.195 316 Q HN 0.667 nan 8.270 nan 0.000 0.526 317 V N 0.469 120.376 119.914 -0.012 0.000 2.447 317 V HA 0.429 4.576 4.120 0.045 0.000 0.292 317 V C -0.472 175.635 176.094 0.022 0.000 1.021 317 V CA -0.572 61.725 62.300 -0.006 0.000 0.850 317 V CB 1.862 33.614 31.823 -0.119 0.000 1.005 317 V HN 0.608 nan 8.190 nan 0.000 0.426 318 C N 8.405 127.767 119.300 0.103 0.000 2.281 318 C HA 0.684 5.172 4.460 0.045 0.000 0.323 318 C C -2.507 172.576 174.990 0.155 0.000 1.270 318 C CA -1.961 57.116 59.018 0.099 0.000 1.559 318 C CB 1.213 29.004 27.740 0.085 0.000 2.239 318 C HN 0.710 nan 8.230 nan 0.000 0.488 319 P HA 0.241 nan 4.420 nan 0.000 0.271 319 P C -1.018 176.376 177.300 0.156 0.000 1.218 319 P CA 0.003 63.189 63.100 0.144 0.000 0.780 319 P CB 0.615 32.366 31.700 0.086 0.000 0.901 320 V N 3.825 123.835 119.914 0.159 0.000 2.448 320 V HA 0.208 4.356 4.120 0.045 0.000 0.295 320 V C 1.110 177.262 176.094 0.095 0.000 1.025 320 V CA -0.181 62.184 62.300 0.109 0.000 0.859 320 V CB 1.158 33.015 31.823 0.056 0.000 0.988 320 V HN 0.775 nan 8.190 nan 0.000 0.431 321 H N 4.145 123.209 119.070 -0.010 0.000 2.885 321 H HA 0.385 4.967 4.556 0.044 0.000 0.260 321 H C 0.528 175.791 175.328 -0.108 0.000 0.985 321 H CA -0.347 55.657 56.048 -0.073 0.000 1.210 321 H CB 1.018 30.794 29.762 0.024 0.000 1.466 321 H HN 0.519 nan 8.280 nan 0.000 0.493 322 R N 0.500 120.684 120.500 -0.526 0.000 2.604 322 R HA 0.561 4.928 4.340 0.045 0.000 0.270 322 R C -1.954 174.222 176.300 -0.207 0.000 1.052 322 R CA -0.592 55.294 56.100 -0.356 0.000 0.902 322 R CB 2.133 32.163 30.300 -0.450 0.000 1.233 322 R HN 0.119 nan 8.270 nan 0.000 0.455 323 I N 4.352 124.864 120.570 -0.097 0.000 2.499 323 I HA 0.286 4.483 4.170 0.045 0.000 0.288 323 I C -1.100 175.028 176.117 0.018 0.000 1.048 323 I CA -1.066 60.208 61.300 -0.043 0.000 1.062 323 I CB 2.098 40.078 38.000 -0.034 0.000 1.238 323 I HN 0.416 nan 8.210 nan 0.000 0.426 324 L N 8.332 129.572 121.223 0.029 0.000 2.264 324 L HA 0.408 4.775 4.340 0.045 0.000 0.287 324 L C -1.497 175.454 176.870 0.135 0.000 1.039 324 L CA -0.116 54.761 54.840 0.061 0.000 0.829 324 L CB 0.300 42.375 42.059 0.027 0.000 1.211 324 L HN 0.501 nan 8.230 nan 0.000 0.427 325 Y N 4.960 125.257 120.300 -0.005 0.000 2.338 325 Y HA 0.338 4.915 4.550 0.045 0.000 0.333 325 Y C 0.317 176.224 175.900 0.012 0.000 0.968 325 Y CA -0.913 57.187 58.100 0.001 0.000 1.123 325 Y CB 0.996 39.464 38.460 0.014 0.000 1.165 325 Y HN 0.647 nan 8.280 nan 0.000 0.452 326 K N 5.352 125.484 120.400 -0.446 0.000 3.156 326 K HA -0.278 4.069 4.320 0.045 0.000 0.266 326 K C -0.603 175.888 176.600 -0.181 0.000 0.966 326 K CA 1.400 57.445 56.287 -0.402 0.000 0.719 326 K CB -1.033 31.094 32.500 -0.621 0.000 1.333 326 K HN 1.007 nan 8.250 nan 0.000 0.468 327 D N -0.995 119.347 120.400 -0.095 0.000 2.945 327 D HA -0.189 4.478 4.640 0.045 0.000 0.225 327 D C -0.413 175.877 176.300 -0.017 0.000 1.158 327 D CA 1.495 55.471 54.000 -0.041 0.000 0.805 327 D CB -0.433 40.343 40.800 -0.040 0.000 1.098 327 D HN 0.509 nan 8.370 nan 0.000 0.426 328 R N 0.188 120.687 120.500 -0.002 0.000 2.599 328 R HA 0.456 4.823 4.340 0.045 0.000 0.295 328 R C -0.163 176.175 176.300 0.064 0.000 0.963 328 R CA -0.836 55.284 56.100 0.034 0.000 0.883 328 R CB 1.303 31.632 30.300 0.048 0.000 1.171 328 R HN -0.086 nan 8.270 nan 0.000 0.450 329 N N 3.029 121.765 118.700 0.061 0.000 2.434 329 N HA 0.254 5.022 4.740 0.045 0.000 0.272 329 N C -0.817 174.745 175.510 0.086 0.000 1.040 329 N CA -0.131 52.959 53.050 0.067 0.000 0.956 329 N CB 1.357 39.880 38.487 0.060 0.000 1.108 329 N HN 0.335 nan 8.380 nan 0.000 0.481 330 L N 2.863 124.136 121.223 0.082 0.000 2.295 330 L HA 0.235 4.602 4.340 0.045 0.000 0.281 330 L C 0.011 176.925 176.870 0.072 0.000 1.018 330 L CA -0.816 54.075 54.840 0.085 0.000 0.841 330 L CB 0.744 42.846 42.059 0.072 0.000 1.218 330 L HN 0.462 nan 8.230 nan 0.000 0.424 331 H N 4.706 123.800 119.070 0.040 0.000 2.742 331 H HA 0.325 4.908 4.556 0.045 0.000 0.302 331 H C -0.469 174.894 175.328 0.058 0.000 1.069 331 H CA -0.305 55.771 56.048 0.047 0.000 1.446 331 H CB 0.701 30.502 29.762 0.065 0.000 1.462 331 H HN 0.299 nan 8.280 nan 0.000 0.499 332 I N 8.733 128.996 120.570 -0.512 0.000 2.312 332 I HA 0.158 4.355 4.170 0.045 0.000 0.290 332 I C -1.907 173.951 176.117 -0.432 0.000 1.008 332 I CA -2.845 58.276 61.300 -0.297 0.000 1.226 332 I CB 1.316 39.229 38.000 -0.145 0.000 1.371 332 I HN 0.668 nan 8.210 nan 0.000 0.468 333 P HA 0.024 nan 4.420 nan 0.000 0.271 333 P C 0.954 178.291 177.300 0.063 0.000 1.535 333 P CA 0.217 63.332 63.100 0.025 0.000 0.820 333 P CB -0.146 31.625 31.700 0.120 0.000 1.606 334 T N 0.341 114.918 114.554 0.039 0.000 2.635 334 T HA -0.138 4.239 4.350 0.045 0.000 0.267 334 T C 1.777 176.530 174.700 0.088 0.000 1.040 334 T CA 1.469 63.623 62.100 0.089 0.000 1.156 334 T CB -0.337 68.593 68.868 0.104 0.000 0.863 334 T HN 0.104 nan 8.240 nan 0.000 0.430 335 M N 0.866 120.520 119.600 0.090 0.000 2.476 335 M HA 0.101 4.608 4.480 0.045 0.000 0.262 335 M C 1.531 177.878 176.300 0.077 0.000 1.079 335 M CA 1.038 56.383 55.300 0.075 0.000 1.104 335 M CB -1.028 31.613 32.600 0.068 0.000 1.409 335 M HN 0.203 nan 8.290 nan 0.000 0.467 336 E N 0.125 120.387 120.200 0.103 0.000 2.479 336 E HA 0.074 4.451 4.350 0.045 0.000 0.193 336 E C 0.602 177.246 176.600 0.074 0.000 1.049 336 E CA 0.142 56.597 56.400 0.092 0.000 0.870 336 E CB 0.066 29.841 29.700 0.125 0.000 0.944 336 E HN 0.336 nan 8.360 nan 0.000 0.492 337 N N -0.244 118.501 118.700 0.074 0.000 2.338 337 N HA 0.196 4.963 4.740 0.045 0.000 0.251 337 N C 0.399 175.946 175.510 0.061 0.000 1.199 337 N CA 0.616 53.709 53.050 0.071 0.000 0.879 337 N CB 1.550 40.090 38.487 0.089 0.000 1.159 337 N HN 0.228 nan 8.380 nan 0.000 0.514 338 G N 1.677 110.503 108.800 0.043 0.000 2.472 338 G HA2 -0.179 3.808 3.960 0.045 0.000 0.217 338 G HA3 -0.179 3.808 3.960 0.045 0.000 0.217 338 G C -2.369 172.539 174.900 0.013 0.000 2.125 338 G CA -0.589 44.525 45.100 0.023 0.000 1.637 338 G HN 0.233 nan 8.290 nan 0.000 0.548 339 P HA 0.376 nan 4.420 nan 0.000 0.273 339 P C 0.548 177.828 177.300 -0.033 0.000 1.428 339 P CA 0.178 63.281 63.100 0.005 0.000 0.995 339 P CB 1.177 32.874 31.700 -0.004 0.000 1.286 340 E N 1.259 121.453 120.200 -0.009 0.000 2.048 340 E HA -0.229 4.148 4.350 0.045 0.000 0.202 340 E C 1.561 178.083 176.600 -0.130 0.000 1.021 340 E CA 1.221 57.596 56.400 -0.042 0.000 0.825 340 E CB -0.193 29.513 29.700 0.010 0.000 0.756 340 E HN 0.295 nan 8.360 nan 0.000 0.454 341 L N 0.967 122.077 121.223 -0.189 0.000 2.027 341 L HA -0.134 4.233 4.340 0.045 0.000 0.206 341 L C 2.131 178.749 176.870 -0.420 0.000 1.074 341 L CA 1.402 55.994 54.840 -0.414 0.000 0.745 341 L CB -0.272 41.378 42.059 -0.683 0.000 0.898 341 L HN 0.140 nan 8.230 nan 0.000 0.433 342 I N -1.033 119.314 120.570 -0.371 0.000 2.163 342 I HA -0.356 3.841 4.170 0.045 0.000 0.243 342 I C 2.373 178.401 176.117 -0.148 0.000 1.085 342 I CA 1.507 62.591 61.300 -0.361 0.000 1.347 342 I CB -0.354 37.431 38.000 -0.358 0.000 1.044 342 I HN 0.255 nan 8.210 nan 0.000 0.408 343 L N 0.054 121.206 121.223 -0.118 0.000 2.083 343 L HA -0.208 4.159 4.340 0.045 0.000 0.209 343 L C 2.756 179.600 176.870 -0.044 0.000 1.083 343 L CA 1.247 56.048 54.840 -0.065 0.000 0.752 343 L CB -0.513 41.511 42.059 -0.059 0.000 0.899 343 L HN 0.212 nan 8.230 nan 0.000 0.433 344 R N -0.232 120.214 120.500 -0.090 0.000 2.092 344 R HA -0.135 4.232 4.340 0.045 0.000 0.231 344 R C 2.358 178.726 176.300 0.114 0.000 1.119 344 R CA 1.345 57.398 56.100 -0.079 0.000 0.970 344 R CB -0.220 29.928 30.300 -0.254 0.000 0.864 344 R HN 0.217 nan 8.270 nan 0.000 0.440 345 F N 0.825 120.823 119.950 0.081 0.000 2.146 345 F HA -0.211 4.343 4.527 0.045 0.000 0.298 345 F C 2.619 178.426 175.800 0.012 0.000 1.096 345 F CA 1.046 59.092 58.000 0.077 0.000 1.275 345 F CB 0.018 38.966 39.000 -0.087 0.000 1.008 345 F HN 0.156 nan 8.300 nan 0.000 0.480 346 Q N 0.207 120.103 119.800 0.161 0.000 2.084 346 Q HA -0.250 4.117 4.340 0.045 0.000 0.202 346 Q C 2.166 178.207 176.000 0.069 0.000 0.978 346 Q CA 1.520 57.364 55.803 0.067 0.000 0.844 346 Q CB -0.200 28.551 28.738 0.022 0.000 0.898 346 Q HN 0.323 nan 8.270 nan 0.000 0.426 347 K N 1.039 121.482 120.400 0.071 0.000 2.026 347 K HA -0.194 4.153 4.320 0.045 0.000 0.208 347 K C 1.703 178.356 176.600 0.089 0.000 1.048 347 K CA 1.456 57.777 56.287 0.057 0.000 0.929 347 K CB 0.094 32.611 32.500 0.028 0.000 0.713 347 K HN 0.191 nan 8.250 nan 0.000 0.439 348 E N 0.506 120.795 120.200 0.148 0.000 2.152 348 E HA -0.134 4.243 4.350 0.045 0.000 0.192 348 E C 2.127 178.819 176.600 0.153 0.000 0.983 348 E CA 0.702 57.213 56.400 0.185 0.000 0.818 348 E CB 0.049 29.942 29.700 0.321 0.000 0.758 348 E HN 0.309 nan 8.360 nan 0.000 0.467 349 L N 0.817 122.115 121.223 0.125 0.000 2.072 349 L HA -0.164 4.203 4.340 0.045 0.000 0.205 349 L C 2.339 179.171 176.870 -0.063 0.000 1.079 349 L CA 1.175 56.027 54.840 0.020 0.000 0.752 349 L CB -0.163 41.849 42.059 -0.079 0.000 0.906 349 L HN 0.008 nan 8.230 nan 0.000 0.436 350 K N -0.080 120.323 120.400 0.004 0.000 2.097 350 K HA -0.196 4.152 4.320 0.045 0.000 0.206 350 K C 1.955 178.641 176.600 0.144 0.000 1.049 350 K CA 1.357 57.704 56.287 0.100 0.000 0.933 350 K CB -0.034 32.545 32.500 0.131 0.000 0.717 350 K HN 0.344 nan 8.250 nan 0.000 0.442 351 E N 0.527 120.784 120.200 0.094 0.000 2.072 351 E HA -0.152 4.225 4.350 0.045 0.000 0.191 351 E C 1.975 178.632 176.600 0.096 0.000 0.985 351 E CA 0.987 57.446 56.400 0.098 0.000 0.801 351 E CB -0.011 29.741 29.700 0.086 0.000 0.750 351 E HN 0.275 nan 8.360 nan 0.000 0.452 352 I N 0.879 121.494 120.570 0.074 0.000 2.233 352 I HA -0.262 3.936 4.170 0.045 0.000 0.243 352 I C 2.432 178.575 176.117 0.044 0.000 1.093 352 I CA 1.073 62.428 61.300 0.091 0.000 1.380 352 I CB -0.156 37.899 38.000 0.092 0.000 1.067 352 I HN 0.078 nan 8.210 nan 0.000 0.413 353 Q N -0.093 119.616 119.800 -0.152 0.000 2.050 353 Q HA -0.201 4.167 4.340 0.045 0.000 0.202 353 Q C 1.546 177.261 176.000 -0.475 0.000 0.980 353 Q CA 1.752 57.218 55.803 -0.561 0.000 0.840 353 Q CB -0.124 27.739 28.738 -1.459 0.000 0.898 353 Q HN 0.542 nan 8.270 nan 0.000 0.424 354 Y N -0.853 119.376 120.300 -0.118 0.000 2.461 354 Y HA 0.207 4.778 4.550 0.035 0.000 0.277 354 Y C 1.287 177.218 175.900 0.052 0.000 1.182 354 Y CA 0.310 58.419 58.100 0.016 0.000 1.276 354 Y CB 0.594 39.065 38.460 0.019 0.000 1.087 354 Y HN 0.225 nan 8.280 nan 0.000 0.519 355 G N 0.488 109.376 108.800 0.146 0.000 2.160 355 G HA2 -0.319 3.668 3.960 0.045 0.000 0.251 355 G HA3 -0.319 3.668 3.960 0.045 0.000 0.251 355 G C 0.893 175.861 174.900 0.114 0.000 1.008 355 G CA 0.692 45.869 45.100 0.128 0.000 0.724 355 G HN 0.523 nan 8.290 nan 0.000 0.514 356 I N -0.867 119.773 120.570 0.117 0.000 2.439 356 I HA 0.089 4.287 4.170 0.045 0.000 0.251 356 I C 1.655 177.817 176.117 0.074 0.000 1.139 356 I CA 0.917 62.270 61.300 0.087 0.000 1.438 356 I CB 0.031 38.078 38.000 0.079 0.000 1.085 356 I HN 0.203 nan 8.210 nan 0.000 0.427 357 R N 1.502 122.055 120.500 0.088 0.000 2.513 357 R HA 0.594 4.961 4.340 0.045 0.000 0.301 357 R C -0.923 175.441 176.300 0.106 0.000 0.968 357 R CA -0.573 55.578 56.100 0.086 0.000 0.872 357 R CB 1.681 32.039 30.300 0.097 0.000 1.177 357 R HN 0.062 nan 8.270 nan 0.000 0.444 358 A N 3.463 126.330 122.820 0.078 0.000 2.450 358 A HA 0.248 4.595 4.320 0.045 0.000 0.255 358 A C -0.893 176.745 177.584 0.089 0.000 1.096 358 A CA 0.244 52.329 52.037 0.081 0.000 0.778 358 A CB 0.180 19.203 19.000 0.038 0.000 1.031 358 A HN 0.896 nan 8.150 nan 0.000 0.494 359 H N 0.395 119.486 119.070 0.035 0.000 2.996 359 H HA 0.374 4.958 4.556 0.047 0.000 0.368 359 H C 0.215 175.589 175.328 0.076 0.000 1.185 359 H CA -0.529 55.518 56.048 -0.002 0.000 1.160 359 H CB 1.490 31.232 29.762 -0.032 0.000 1.820 359 H HN 0.679 nan 8.280 nan 0.000 0.547 360 E N 2.382 122.677 120.200 0.158 0.000 2.338 360 E HA -0.116 4.261 4.350 0.045 0.000 0.197 360 E C 0.808 177.702 176.600 0.491 0.000 1.007 360 E CA 0.541 57.075 56.400 0.225 0.000 0.849 360 E CB 0.075 29.812 29.700 0.062 0.000 0.774 360 E HN 0.576 nan 8.360 nan 0.000 0.506 361 W N 0.203 121.728 121.300 0.375 0.000 2.519 361 W HA 0.107 4.793 4.660 0.045 0.000 0.266 361 W C 0.155 176.818 176.519 0.240 0.000 1.253 361 W CA 0.193 57.667 57.345 0.215 0.000 1.274 361 W CB -0.207 29.199 29.460 -0.091 0.000 1.114 361 W HN 0.059 nan 8.180 nan 0.000 0.596 362 M N 0.129 120.027 119.600 0.497 0.000 2.144 362 M HA 0.148 4.656 4.480 0.045 0.000 0.356 362 M C -0.860 175.675 176.300 0.392 0.000 1.217 362 M CA -1.214 54.306 55.300 0.367 0.000 1.087 362 M CB -0.040 32.736 32.600 0.294 0.000 1.609 362 M HN -0.195 nan 8.290 nan 0.000 0.467 363 F N 6.387 126.375 119.950 0.062 0.000 2.361 363 F HA 0.536 5.089 4.527 0.043 0.000 0.364 363 F C -2.271 173.543 175.800 0.025 0.000 1.120 363 F CA -2.334 55.662 58.000 -0.006 0.000 1.102 363 F CB 1.033 39.792 39.000 -0.401 0.000 1.183 363 F HN 0.356 nan 8.300 nan 0.000 0.476 364 P HA 0.149 nan 4.420 nan 0.000 0.271 364 P C -0.678 176.380 177.300 -0.405 0.000 1.216 364 P CA -0.025 62.923 63.100 -0.254 0.000 0.771 364 P CB 1.189 32.781 31.700 -0.181 0.000 0.864 365 V N 0.000 119.814 119.914 -0.166 0.000 2.409 365 V HA 0.000 4.147 4.120 0.045 0.000 0.244 365 V CA 0.000 62.235 62.300 -0.109 0.000 1.235 365 V CB 0.000 31.821 31.823 -0.003 0.000 1.184 365 V HN 0.000 nan 8.190 nan 0.000 0.556