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 3hke_1_D DATA FIRST_RESID 2 DATA SEQUENCE REIVHIQAGQ CGNQIGAKFW EVISDEHGID PTGSYHGDSD LQLXXERINV DATA SEQUENCE YYNEATGNKY VPRAILVDLE PGTMDSVRSG PFGQIFRPDN FVFGQSGAGN DATA SEQUENCE NWAKGHYTEG AELVDSVLDV VRKESESCDC LQGFQLTHSL GGGTGSGMGT DATA SEQUENCE LLISKIREEY PDRIMNTFSV MPSPKVSDTV VEPYNATLSV HQLVENTDET DATA SEQUENCE YSIDNEALYD ICFRTLKLTT PTYGDLNHLV SATMSGVTTC LRFPGQLNAD DATA SEQUENCE LRKLAVNMVP FPRLHFFMPG FAPLTSRGSQ QYRALTVPEL TQQMFDSKNM DATA SEQUENCE MAACDPRHGR YLTVAAVFRG RMSMKEVDEQ MLNVQNKNSS YFVEWIPNNV DATA SEQUENCE KTAVCDIPPX XXXXXXXRGL KMSATFIGNS TAIQELFKRI SEQFTAMFRR DATA SEQUENCE KAFLHWYTGE GMDEMEFTEA ESNMNDLVSE YQQYQDA 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 2 R HA 0.000 nan 4.340 nan 0.000 0.208 2 R C 0.000 176.244 176.300 -0.094 0.000 0.893 2 R CA 0.000 56.058 56.100 -0.070 0.000 0.921 2 R CB 0.000 30.271 30.300 -0.049 0.000 0.687 3 E N 1.215 121.329 120.200 -0.142 0.000 5.017 3 E HA 0.009 4.359 4.350 0.001 0.000 0.366 3 E C -1.673 174.787 176.600 -0.234 0.000 1.080 3 E CA -0.306 55.990 56.400 -0.173 0.000 0.824 3 E CB 0.226 29.854 29.700 -0.119 0.000 1.076 3 E HN 0.197 nan 8.360 nan 0.000 0.637 4 I N 3.893 124.283 120.570 -0.299 0.000 2.647 4 I HA 0.735 4.906 4.170 0.001 0.000 0.295 4 I C -0.574 175.388 176.117 -0.258 0.000 1.078 4 I CA -0.775 60.325 61.300 -0.334 0.000 1.048 4 I CB 1.734 39.522 38.000 -0.353 0.000 1.239 4 I HN 0.395 nan 8.210 nan 0.000 0.421 5 V N 3.874 123.611 119.914 -0.295 0.000 2.997 5 V HA 0.559 4.680 4.120 0.001 0.000 0.311 5 V C -0.693 175.457 176.094 0.093 0.000 1.066 5 V CA -0.212 62.019 62.300 -0.115 0.000 1.039 5 V CB 1.463 33.164 31.823 -0.203 0.000 1.081 5 V HN 0.948 nan 8.190 nan 0.000 0.467 6 H N 2.622 121.762 119.070 0.117 0.000 2.744 6 H HA 0.559 5.115 4.556 0.001 0.000 0.339 6 H C -1.436 173.985 175.328 0.154 0.000 1.004 6 H CA -0.675 55.487 56.048 0.190 0.000 1.257 6 H CB 1.771 31.765 29.762 0.387 0.000 1.552 6 H HN 0.734 nan 8.280 nan 0.000 0.522 7 I N 3.926 124.344 120.570 -0.254 0.000 2.437 7 I HA 0.177 4.348 4.170 0.001 0.000 0.298 7 I C -0.044 175.805 176.117 -0.448 0.000 0.984 7 I CA -0.314 60.843 61.300 -0.239 0.000 1.214 7 I CB 1.868 39.796 38.000 -0.119 0.000 1.365 7 I HN 0.482 nan 8.210 nan 0.000 0.469 8 Q N 5.438 125.096 119.800 -0.236 0.000 2.786 8 Q HA 0.611 4.952 4.340 0.001 0.000 0.240 8 Q C -1.630 174.342 176.000 -0.046 0.000 0.928 8 Q CA -0.483 55.241 55.803 -0.131 0.000 0.721 8 Q CB 1.656 30.409 28.738 0.026 0.000 1.318 8 Q HN 0.795 nan 8.270 nan 0.000 0.474 9 A N 1.754 124.563 122.820 -0.018 0.000 2.350 9 A HA 0.963 5.284 4.320 0.001 0.000 0.324 9 A C 0.032 177.662 177.584 0.075 0.000 1.118 9 A CA 0.037 52.088 52.037 0.023 0.000 0.783 9 A CB 1.368 20.373 19.000 0.010 0.000 1.236 9 A HN 0.923 nan 8.150 nan 0.000 0.457 10 G N 0.797 109.636 108.800 0.064 0.000 2.767 10 G HA2 -0.097 3.864 3.960 0.001 0.000 0.686 10 G HA3 -0.097 3.864 3.960 0.001 0.000 0.686 10 G C 0.540 175.468 174.900 0.048 0.000 1.213 10 G CA 0.195 45.334 45.100 0.065 0.000 0.803 10 G HN 0.997 nan 8.290 nan 0.000 0.603 11 Q N -0.130 119.685 119.800 0.025 0.000 2.105 11 Q HA -0.346 3.994 4.340 0.001 0.000 0.217 11 Q C 2.867 178.853 176.000 -0.024 0.000 1.029 11 Q CA 3.391 59.191 55.803 -0.005 0.000 0.899 11 Q CB -0.431 28.285 28.738 -0.036 0.000 1.000 11 Q HN 1.148 nan 8.270 nan 0.000 0.414 12 C N -0.687 118.590 119.300 -0.038 0.000 2.489 12 C HA 0.007 4.467 4.460 0.001 0.000 0.279 12 C C 2.740 177.749 174.990 0.032 0.000 1.266 12 C CA 1.196 60.187 59.018 -0.046 0.000 1.707 12 C CB -1.454 26.255 27.740 -0.053 0.000 2.059 12 C HN 0.729 nan 8.230 nan 0.000 0.481 13 G N 0.400 109.246 108.800 0.076 0.000 2.547 13 G HA2 -0.354 3.607 3.960 0.001 0.000 0.221 13 G HA3 -0.354 3.607 3.960 0.001 0.000 0.221 13 G C 1.461 176.414 174.900 0.089 0.000 1.140 13 G CA 1.668 46.833 45.100 0.108 0.000 0.760 13 G HN 0.789 nan 8.290 nan 0.000 0.583 14 N N -0.717 118.025 118.700 0.071 0.000 2.250 14 N HA -0.011 4.729 4.740 0.001 0.000 0.181 14 N C 2.226 177.796 175.510 0.101 0.000 1.017 14 N CA 0.723 53.820 53.050 0.078 0.000 0.866 14 N CB -0.089 38.434 38.487 0.060 0.000 0.985 14 N HN 0.173 nan 8.380 nan 0.000 0.429 15 Q N 0.873 120.717 119.800 0.073 0.000 2.170 15 Q HA 0.040 4.380 4.340 0.001 0.000 0.203 15 Q C 1.714 177.776 176.000 0.104 0.000 0.976 15 Q CA 1.005 56.855 55.803 0.079 0.000 0.858 15 Q CB -0.031 28.723 28.738 0.027 0.000 0.907 15 Q HN 0.421 nan 8.270 nan 0.000 0.433 16 I N -1.130 119.497 120.570 0.094 0.000 2.193 16 I HA -0.147 4.024 4.170 0.001 0.000 0.240 16 I C 1.917 178.116 176.117 0.137 0.000 1.084 16 I CA 1.148 62.502 61.300 0.090 0.000 1.365 16 I CB -0.423 37.611 38.000 0.057 0.000 1.064 16 I HN 0.355 nan 8.210 nan 0.000 0.410 17 G N 0.068 108.975 108.800 0.178 0.000 2.459 17 G HA2 -0.303 3.658 3.960 0.001 0.000 0.217 17 G HA3 -0.303 3.658 3.960 0.001 0.000 0.217 17 G C 1.790 176.982 174.900 0.487 0.000 1.183 17 G CA 0.794 46.085 45.100 0.319 0.000 0.776 17 G HN 0.516 nan 8.290 nan 0.000 0.552 18 A N 0.637 123.691 122.820 0.391 0.000 1.948 18 A HA -0.133 4.188 4.320 0.001 0.000 0.220 18 A C 2.218 180.033 177.584 0.385 0.000 1.177 18 A CA 2.607 54.911 52.037 0.446 0.000 0.636 18 A CB -0.377 18.808 19.000 0.308 0.000 0.815 18 A HN 0.403 nan 8.150 nan 0.000 0.449 19 K N -0.815 119.742 120.400 0.263 0.000 2.021 19 K HA -0.025 4.296 4.320 0.001 0.000 0.205 19 K C 1.632 178.323 176.600 0.151 0.000 1.047 19 K CA 1.439 57.833 56.287 0.179 0.000 0.943 19 K CB -0.712 31.867 32.500 0.132 0.000 0.725 19 K HN 0.382 nan 8.250 nan 0.000 0.439 20 F N -0.258 119.672 119.950 -0.032 0.000 2.045 20 F HA -0.287 4.241 4.527 0.001 0.000 0.297 20 F C 1.657 177.350 175.800 -0.178 0.000 1.114 20 F CA 2.303 60.175 58.000 -0.213 0.000 1.207 20 F CB -0.627 38.117 39.000 -0.427 0.000 0.964 20 F HN 0.164 nan 8.300 nan 0.000 0.486 21 W N 1.214 122.429 121.300 -0.142 0.000 2.318 21 W HA -0.231 4.430 4.660 0.002 0.000 0.313 21 W C 2.768 179.237 176.519 -0.084 0.000 1.221 21 W CA 1.829 59.045 57.345 -0.216 0.000 1.266 21 W CB -0.647 28.928 29.460 0.192 0.000 1.150 21 W HN 0.351 nan 8.180 nan 0.000 0.496 22 E N -0.174 120.222 120.200 0.327 0.000 2.204 22 E HA -0.177 4.174 4.350 0.001 0.000 0.194 22 E C 1.828 178.483 176.600 0.093 0.000 0.989 22 E CA 1.574 58.144 56.400 0.283 0.000 0.824 22 E CB -0.629 29.119 29.700 0.079 0.000 0.756 22 E HN 0.163 nan 8.360 nan 0.000 0.477 23 V N 2.328 122.232 119.914 -0.017 0.000 2.283 23 V HA -0.218 3.903 4.120 0.001 0.000 0.243 23 V C 2.618 178.672 176.094 -0.067 0.000 1.039 23 V CA 1.863 64.130 62.300 -0.054 0.000 1.016 23 V CB -0.538 31.231 31.823 -0.090 0.000 0.650 23 V HN 0.525 nan 8.190 nan 0.000 0.449 24 I N -1.754 118.673 120.570 -0.239 0.000 2.315 24 I HA -0.121 4.050 4.170 0.001 0.000 0.248 24 I C 2.360 178.539 176.117 0.103 0.000 1.117 24 I CA 1.795 62.994 61.300 -0.169 0.000 1.404 24 I CB -0.636 37.016 38.000 -0.580 0.000 1.071 24 I HN 0.117 nan 8.210 nan 0.000 0.419 25 S N 0.519 116.313 115.700 0.157 0.000 2.440 25 S HA -0.225 4.246 4.470 0.001 0.000 0.238 25 S C 1.739 176.484 174.600 0.240 0.000 1.010 25 S CA 1.717 60.065 58.200 0.245 0.000 0.972 25 S CB -0.645 62.767 63.200 0.353 0.000 0.774 25 S HN 0.650 nan 8.310 nan 0.000 0.501 26 D N 0.177 120.706 120.400 0.215 0.000 2.271 26 D HA -0.017 4.624 4.640 0.001 0.000 0.206 26 D C 1.712 178.105 176.300 0.154 0.000 0.967 26 D CA 0.548 54.653 54.000 0.176 0.000 0.867 26 D CB 0.218 41.084 40.800 0.110 0.000 0.960 26 D HN 0.357 nan 8.370 nan 0.000 0.509 27 E N -0.427 119.865 120.200 0.153 0.000 2.047 27 E HA -0.125 4.226 4.350 0.001 0.000 0.191 27 E C 2.017 178.679 176.600 0.104 0.000 0.987 27 E CA 0.966 57.452 56.400 0.143 0.000 0.799 27 E CB 0.088 29.887 29.700 0.164 0.000 0.752 27 E HN 0.436 nan 8.360 nan 0.000 0.449 28 H N -1.202 117.890 119.070 0.036 0.000 2.502 28 H HA 0.140 4.696 4.556 0.001 0.000 0.283 28 H C 0.583 175.942 175.328 0.053 0.000 1.015 28 H CA 0.725 56.737 56.048 -0.060 0.000 1.298 28 H CB 0.444 30.050 29.762 -0.261 0.000 1.411 28 H HN 0.240 nan 8.280 nan 0.000 0.556 29 G N 1.376 110.320 108.800 0.239 0.000 2.905 29 G HA2 -0.194 3.767 3.960 0.001 0.000 0.245 29 G HA3 -0.194 3.767 3.960 0.001 0.000 0.245 29 G C -0.702 174.340 174.900 0.236 0.000 1.004 29 G CA -0.209 45.055 45.100 0.274 0.000 1.089 29 G HN 0.266 nan 8.290 nan 0.000 0.456 30 I N 1.990 122.645 120.570 0.141 0.000 2.569 30 I HA 0.282 4.453 4.170 0.001 0.000 0.290 30 I C -0.112 176.012 176.117 0.012 0.000 1.088 30 I CA -1.160 60.162 61.300 0.036 0.000 1.047 30 I CB 1.830 39.751 38.000 -0.132 0.000 1.237 30 I HN 0.336 nan 8.210 nan 0.000 0.421 31 D N 6.582 126.968 120.400 -0.023 0.000 2.335 31 D HA 0.020 4.661 4.640 0.001 0.000 0.236 31 D C -1.597 174.518 176.300 -0.308 0.000 1.297 31 D CA -1.250 52.736 54.000 -0.024 0.000 0.906 31 D CB 0.020 40.802 40.800 -0.030 0.000 1.164 31 D HN 0.230 nan 8.370 nan 0.000 0.469 32 P HA -0.123 nan 4.420 nan 0.000 0.216 32 P C 0.810 177.872 177.300 -0.396 0.000 1.150 32 P CA 1.905 64.782 63.100 -0.372 0.000 0.843 32 P CB 0.271 32.038 31.700 0.112 0.000 0.787 33 T N -2.527 111.901 114.554 -0.209 0.000 3.238 33 T HA 0.257 4.608 4.350 0.001 0.000 0.242 33 T C 1.340 175.955 174.700 -0.142 0.000 0.980 33 T CA 0.511 62.511 62.100 -0.167 0.000 1.235 33 T CB -1.111 67.703 68.868 -0.090 0.000 1.069 33 T HN 0.040 nan 8.240 nan 0.000 0.407 34 G N 2.091 110.833 108.800 -0.097 0.000 2.134 34 G HA2 0.235 4.196 3.960 0.001 0.000 0.524 34 G HA3 0.235 4.196 3.960 0.001 0.000 0.524 34 G C 0.662 175.525 174.900 -0.062 0.000 1.387 34 G CA 0.710 45.765 45.100 -0.075 0.000 1.102 34 G HN 0.650 nan 8.290 nan 0.000 0.569 35 S N -2.265 113.415 115.700 -0.034 0.000 3.565 35 S HA 0.470 4.941 4.470 0.001 0.000 0.242 35 S C -0.412 174.282 174.600 0.157 0.000 1.023 35 S CA -0.609 57.613 58.200 0.037 0.000 1.300 35 S CB 0.439 63.557 63.200 -0.136 0.000 1.198 35 S HN 0.621 nan 8.310 nan 0.000 0.697 36 Y N 2.376 122.709 120.300 0.055 0.000 2.425 36 Y HA 0.405 4.956 4.550 0.001 0.000 0.331 36 Y C 0.313 176.232 175.900 0.031 0.000 1.157 36 Y CA 0.851 58.992 58.100 0.069 0.000 1.372 36 Y CB -0.691 37.831 38.460 0.103 0.000 1.253 36 Y HN 0.900 nan 8.280 nan 0.000 0.536 37 H N 1.604 120.475 119.070 -0.332 0.000 3.277 37 H HA 0.664 5.221 4.556 0.001 0.000 0.329 37 H C -0.450 174.610 175.328 -0.448 0.000 1.034 37 H CA -0.671 55.118 56.048 -0.432 0.000 1.530 37 H CB 0.840 30.510 29.762 -0.154 0.000 1.837 37 H HN 1.248 nan 8.280 nan 0.000 0.493 38 G N 0.825 109.223 108.800 -0.670 0.000 2.433 38 G HA2 0.328 4.289 3.960 0.001 0.000 0.306 38 G HA3 0.328 4.289 3.960 0.001 0.000 0.306 38 G C -0.377 174.418 174.900 -0.175 0.000 1.627 38 G CA -0.075 44.862 45.100 -0.273 0.000 0.893 38 G HN 0.514 nan 8.290 nan 0.000 0.648 39 D N 0.136 120.519 120.400 -0.029 0.000 2.350 39 D HA 0.102 4.742 4.640 0.001 0.000 0.216 39 D C 1.703 178.061 176.300 0.098 0.000 0.968 39 D CA 1.069 55.080 54.000 0.019 0.000 0.894 39 D CB 0.334 41.139 40.800 0.009 0.000 0.909 39 D HN 0.358 nan 8.370 nan 0.000 0.520 40 S N -0.416 115.385 115.700 0.167 0.000 2.596 40 S HA 0.031 4.502 4.470 0.001 0.000 0.260 40 S C 0.859 175.608 174.600 0.249 0.000 1.336 40 S CA -0.381 57.927 58.200 0.179 0.000 0.993 40 S CB 1.200 64.497 63.200 0.161 0.000 0.923 40 S HN 0.181 nan 8.310 nan 0.000 0.567 41 D N -0.725 119.757 120.400 0.138 0.000 2.526 41 D HA 0.175 4.816 4.640 0.001 0.000 0.293 41 D C 1.901 178.211 176.300 0.016 0.000 1.081 41 D CA 0.055 54.115 54.000 0.100 0.000 0.924 41 D CB -0.139 40.711 40.800 0.084 0.000 1.498 41 D HN 0.289 nan 8.370 nan 0.000 0.497 42 L N 1.835 123.081 121.223 0.039 0.000 1.965 42 L HA -0.305 4.036 4.340 0.001 0.000 0.226 42 L C 2.276 179.155 176.870 0.015 0.000 1.083 42 L CA 2.298 57.168 54.840 0.051 0.000 0.790 42 L CB -1.266 40.851 42.059 0.097 0.000 0.898 42 L HN 0.326 nan 8.230 nan 0.000 0.439 43 Q N -0.200 119.611 119.800 0.018 0.000 2.483 43 Q HA -0.300 4.040 4.340 0.001 0.000 0.229 43 Q C 1.130 177.052 176.000 -0.130 0.000 1.113 43 Q CA 2.186 57.904 55.803 -0.141 0.000 1.004 43 Q CB -1.608 26.975 28.738 -0.258 0.000 1.033 43 Q HN 0.471 nan 8.270 nan 0.000 0.534 48 R N 0.958 121.454 120.500 -0.007 0.000 2.509 48 R HA 0.349 4.690 4.340 0.001 0.000 0.300 48 R C 1.861 178.168 176.300 0.011 0.000 0.985 48 R CA -0.053 56.047 56.100 0.001 0.000 1.092 48 R CB 0.461 30.762 30.300 0.002 0.000 1.237 48 R HN 0.159 nan 8.270 nan 0.000 0.546 49 I N 1.642 122.193 120.570 -0.032 0.000 2.530 49 I HA -0.321 3.850 4.170 0.001 0.000 0.257 49 I C 1.977 178.068 176.117 -0.044 0.000 1.179 49 I CA 1.086 62.295 61.300 -0.150 0.000 1.440 49 I CB -0.071 37.659 38.000 -0.450 0.000 1.087 49 I HN 0.088 nan 8.210 nan 0.000 0.440 50 N N 0.374 119.059 118.700 -0.025 0.000 2.037 50 N HA -0.221 4.520 4.740 0.001 0.000 0.196 50 N C 1.846 177.349 175.510 -0.013 0.000 1.034 50 N CA 2.016 55.066 53.050 0.001 0.000 0.861 50 N CB -0.501 37.982 38.487 -0.007 0.000 1.039 50 N HN 0.254 nan 8.380 nan 0.000 0.427 51 V N -0.792 119.094 119.914 -0.047 0.000 2.392 51 V HA -0.210 3.911 4.120 0.001 0.000 0.249 51 V C 1.192 177.120 176.094 -0.276 0.000 1.059 51 V CA 1.660 63.854 62.300 -0.176 0.000 1.051 51 V CB -0.464 31.233 31.823 -0.211 0.000 0.658 51 V HN 0.429 nan 8.190 nan 0.000 0.455 52 Y N -3.189 117.073 120.300 -0.064 0.000 2.500 52 Y HA 0.309 4.860 4.550 0.001 0.000 0.246 52 Y C -0.170 175.548 175.900 -0.303 0.000 1.146 52 Y CA -0.465 57.535 58.100 -0.165 0.000 1.230 52 Y CB 0.831 39.094 38.460 -0.328 0.000 1.214 52 Y HN 0.214 nan 8.280 nan 0.000 0.526 53 Y N 0.233 120.575 120.300 0.070 0.000 2.488 53 Y HA 0.267 4.818 4.550 0.001 0.000 0.330 53 Y C -0.454 175.447 175.900 0.001 0.000 1.013 53 Y CA -1.504 56.591 58.100 -0.009 0.000 1.304 53 Y CB 0.477 38.812 38.460 -0.207 0.000 1.098 53 Y HN -0.126 nan 8.280 nan 0.000 0.498 54 N N 3.661 122.431 118.700 0.117 0.000 2.416 54 N HA 0.046 4.787 4.740 0.001 0.000 0.265 54 N C -0.629 174.960 175.510 0.133 0.000 1.195 54 N CA -0.097 53.007 53.050 0.090 0.000 0.943 54 N CB 0.485 38.994 38.487 0.036 0.000 1.115 54 N HN 0.650 nan 8.380 nan 0.000 0.481 55 E N 1.357 121.656 120.200 0.165 0.000 2.231 55 E HA 0.711 5.061 4.350 0.001 0.000 0.277 55 E C -0.602 176.034 176.600 0.060 0.000 0.999 55 E CA -1.018 55.490 56.400 0.180 0.000 0.827 55 E CB 1.288 31.159 29.700 0.285 0.000 1.101 55 E HN 0.423 nan 8.360 nan 0.000 0.393 56 A N 1.657 124.487 122.820 0.017 0.000 2.414 56 A HA 0.841 5.162 4.320 0.001 0.000 0.278 56 A C 0.437 177.996 177.584 -0.042 0.000 1.228 56 A CA -0.336 51.695 52.037 -0.010 0.000 0.857 56 A CB 0.111 19.109 19.000 -0.004 0.000 1.389 56 A HN 0.869 nan 8.150 nan 0.000 0.452 57 T N -1.141 113.392 114.554 -0.034 0.000 2.854 57 T HA 0.521 4.872 4.350 0.001 0.000 0.336 57 T C 1.568 176.233 174.700 -0.058 0.000 1.095 57 T CA 1.765 63.840 62.100 -0.041 0.000 1.118 57 T CB -0.524 68.326 68.868 -0.028 0.000 1.025 57 T HN 2.569 nan 8.240 nan 0.000 0.549 58 G N 0.594 109.359 108.800 -0.058 0.000 2.531 58 G HA2 0.008 3.969 3.960 0.001 0.000 0.274 58 G HA3 0.008 3.969 3.960 0.001 0.000 0.274 58 G C 1.068 175.908 174.900 -0.100 0.000 1.159 58 G CA 1.430 46.489 45.100 -0.068 0.000 0.969 58 G HN 1.759 nan 8.290 nan 0.000 0.554 59 N N -0.454 118.172 118.700 -0.124 0.000 2.284 59 N HA 0.429 5.170 4.740 0.001 0.000 0.210 59 N C 0.810 176.160 175.510 -0.266 0.000 1.029 59 N CA 1.925 54.856 53.050 -0.198 0.000 1.039 59 N CB -0.522 37.861 38.487 -0.174 0.000 1.268 59 N HN 1.576 nan 8.380 nan 0.000 0.546 60 K N -2.721 117.537 120.400 -0.238 0.000 7.163 60 K HA -0.191 4.130 4.320 0.001 0.000 0.574 60 K C -1.250 175.230 176.600 -0.199 0.000 2.584 60 K CA 1.024 57.207 56.287 -0.174 0.000 2.032 60 K CB -0.802 31.636 32.500 -0.103 0.000 2.177 60 K HN 0.783 nan 8.250 nan 0.000 0.203 61 Y N -0.103 120.140 120.300 -0.096 0.000 2.779 61 Y HA 0.066 4.617 4.550 0.001 0.000 0.251 61 Y C 0.490 176.397 175.900 0.012 0.000 1.145 61 Y CA -0.369 57.678 58.100 -0.088 0.000 1.201 61 Y CB 1.415 39.742 38.460 -0.223 0.000 1.281 61 Y HN 0.509 nan 8.280 nan 0.000 0.563 62 V N 3.960 123.941 119.914 0.112 0.000 3.050 62 V HA -0.129 3.992 4.120 0.001 0.000 0.283 62 V C -2.431 173.680 176.094 0.029 0.000 1.384 62 V CA -0.800 61.508 62.300 0.014 0.000 1.419 62 V CB 0.239 32.048 31.823 -0.023 0.000 0.820 62 V HN 0.109 nan 8.190 nan 0.000 0.463 63 P HA 0.246 nan 4.420 nan 0.000 0.274 63 P C -0.666 176.459 177.300 -0.292 0.000 1.231 63 P CA -0.552 62.236 63.100 -0.521 0.000 0.790 63 P CB 0.511 31.293 31.700 -1.530 0.000 0.951 64 R N 1.570 122.017 120.500 -0.087 0.000 2.893 64 R HA 0.478 4.819 4.340 0.001 0.000 0.243 64 R C -0.560 175.840 176.300 0.167 0.000 1.481 64 R CA 0.073 56.202 56.100 0.049 0.000 1.250 64 R CB -1.069 29.277 30.300 0.078 0.000 1.213 64 R HN 0.516 nan 8.270 nan 0.000 0.609 65 A N 3.979 126.824 122.820 0.042 0.000 2.381 65 A HA 0.502 4.823 4.320 0.001 0.000 0.299 65 A C -1.002 176.553 177.584 -0.048 0.000 1.049 65 A CA -0.729 51.376 52.037 0.113 0.000 0.715 65 A CB 0.897 19.890 19.000 -0.012 0.000 1.222 65 A HN 0.534 nan 8.150 nan 0.000 0.428 66 I N 2.203 122.759 120.570 -0.023 0.000 2.377 66 I HA 0.399 4.569 4.170 0.001 0.000 0.293 66 I C -0.862 175.159 176.117 -0.159 0.000 0.987 66 I CA -0.313 60.919 61.300 -0.113 0.000 1.185 66 I CB 1.695 39.664 38.000 -0.052 0.000 1.341 66 I HN 0.526 nan 8.210 nan 0.000 0.455 67 L N 7.441 128.506 121.223 -0.263 0.000 2.298 67 L HA 0.595 4.936 4.340 0.001 0.000 0.284 67 L C -0.670 176.150 176.870 -0.084 0.000 1.013 67 L CA -0.557 54.152 54.840 -0.218 0.000 0.824 67 L CB 1.282 43.108 42.059 -0.388 0.000 1.221 67 L HN 0.214 nan 8.230 nan 0.000 0.418 68 V N 0.848 120.743 119.914 -0.031 0.000 2.555 68 V HA 0.750 4.871 4.120 0.001 0.000 0.302 68 V C -0.790 175.337 176.094 0.055 0.000 1.038 68 V CA -0.454 61.856 62.300 0.016 0.000 0.887 68 V CB 1.951 33.772 31.823 -0.005 0.000 0.991 68 V HN 0.715 nan 8.190 nan 0.000 0.434 69 D N 1.831 122.289 120.400 0.097 0.000 2.599 69 D HA 0.470 5.111 4.640 0.001 0.000 0.252 69 D C -0.271 176.085 176.300 0.092 0.000 1.232 69 D CA -0.574 53.482 54.000 0.093 0.000 0.819 69 D CB 2.199 43.064 40.800 0.109 0.000 1.401 69 D HN 0.374 nan 8.370 nan 0.000 0.429 70 L N 1.096 122.354 121.223 0.058 0.000 2.700 70 L HA 0.314 4.655 4.340 0.001 0.000 0.234 70 L C 0.095 176.977 176.870 0.021 0.000 1.156 70 L CA 0.094 54.960 54.840 0.042 0.000 0.946 70 L CB -0.142 41.933 42.059 0.026 0.000 1.216 70 L HN 0.391 nan 8.230 nan 0.000 0.493 71 E N -1.895 118.311 120.200 0.010 0.000 2.380 71 E HA 0.217 4.568 4.350 0.001 0.000 0.281 71 E C -2.746 173.788 176.600 -0.109 0.000 0.999 71 E CA -1.446 54.923 56.400 -0.052 0.000 0.800 71 E CB 1.703 31.375 29.700 -0.048 0.000 1.228 71 E HN -0.267 nan 8.360 nan 0.000 0.436 72 P HA -0.245 nan 4.420 nan 0.000 0.214 72 P C 1.272 178.467 177.300 -0.175 0.000 1.172 72 P CA 3.113 65.933 63.100 -0.466 0.000 0.925 72 P CB -0.228 31.146 31.700 -0.543 0.000 0.793 73 G N -0.636 108.091 108.800 -0.122 0.000 2.928 73 G HA2 -0.418 3.543 3.960 0.001 0.000 0.329 73 G HA3 -0.418 3.543 3.960 0.001 0.000 0.329 73 G C 1.155 176.051 174.900 -0.006 0.000 1.006 73 G CA 2.934 48.005 45.100 -0.049 0.000 0.883 73 G HN 0.471 nan 8.290 nan 0.000 0.946 74 T N -1.179 113.389 114.554 0.023 0.000 3.272 74 T HA 0.521 4.872 4.350 0.001 0.000 0.250 74 T C 1.924 176.685 174.700 0.102 0.000 1.082 74 T CA 1.056 63.188 62.100 0.054 0.000 0.968 74 T CB 0.187 69.079 68.868 0.040 0.000 1.015 74 T HN 0.355 nan 8.240 nan 0.000 0.563 75 M N 1.085 120.764 119.600 0.132 0.000 2.557 75 M HA 0.149 4.630 4.480 0.001 0.000 0.262 75 M C 1.089 177.497 176.300 0.179 0.000 1.168 75 M CA 0.870 56.312 55.300 0.235 0.000 1.194 75 M CB -0.464 32.377 32.600 0.401 0.000 1.311 75 M HN 0.136 nan 8.290 nan 0.000 0.489 76 D N 0.755 121.214 120.400 0.099 0.000 2.350 76 D HA -0.045 4.596 4.640 0.001 0.000 0.216 76 D C 1.929 178.269 176.300 0.066 0.000 0.968 76 D CA 0.671 54.702 54.000 0.052 0.000 0.894 76 D CB -0.104 40.699 40.800 0.005 0.000 0.909 76 D HN 0.121 nan 8.370 nan 0.000 0.520 77 S N -0.361 115.388 115.700 0.082 0.000 2.338 77 S HA -0.099 4.372 4.470 0.001 0.000 0.218 77 S C 2.223 176.897 174.600 0.124 0.000 1.032 77 S CA 0.813 59.066 58.200 0.087 0.000 0.999 77 S CB -0.093 63.157 63.200 0.082 0.000 0.905 77 S HN 0.115 nan 8.310 nan 0.000 0.439 78 V N 1.644 121.659 119.914 0.169 0.000 2.358 78 V HA -0.091 4.029 4.120 0.001 0.000 0.246 78 V C 2.388 178.642 176.094 0.266 0.000 1.047 78 V CA 1.623 64.067 62.300 0.239 0.000 1.035 78 V CB -0.632 31.363 31.823 0.288 0.000 0.658 78 V HN 0.332 nan 8.190 nan 0.000 0.452 79 R N -0.103 120.534 120.500 0.229 0.000 2.115 79 R HA -0.063 4.278 4.340 0.001 0.000 0.230 79 R C 1.992 178.366 176.300 0.123 0.000 1.111 79 R CA 1.350 57.557 56.100 0.179 0.000 0.976 79 R CB -0.111 30.206 30.300 0.029 0.000 0.870 79 R HN 0.423 nan 8.270 nan 0.000 0.445 80 S N -0.702 115.058 115.700 0.100 0.000 2.597 80 S HA 0.208 4.679 4.470 0.001 0.000 0.224 80 S C 0.256 174.906 174.600 0.084 0.000 0.955 80 S CA 0.063 58.308 58.200 0.075 0.000 0.933 80 S CB 1.162 64.393 63.200 0.051 0.000 0.788 80 S HN 0.551 nan 8.310 nan 0.000 0.488 81 G N 1.947 110.816 108.800 0.115 0.000 3.392 81 G HA2 0.345 4.306 3.960 0.001 0.000 0.185 81 G HA3 0.345 4.306 3.960 0.001 0.000 0.185 81 G C -1.710 173.263 174.900 0.121 0.000 1.206 81 G CA -0.302 44.861 45.100 0.105 0.000 0.776 81 G HN 0.187 nan 8.290 nan 0.000 0.697 82 P HA 0.018 nan 4.420 nan 0.000 0.208 82 P C 0.295 177.690 177.300 0.158 0.000 1.200 82 P CA 1.153 64.286 63.100 0.055 0.000 0.924 82 P CB 0.211 31.931 31.700 0.034 0.000 0.774 83 F N -0.706 119.302 119.950 0.096 0.000 2.739 83 F HA 0.357 4.884 4.527 0.001 0.000 0.345 83 F C 1.612 177.432 175.800 0.033 0.000 1.373 83 F CA -0.702 57.316 58.000 0.030 0.000 1.160 83 F CB 0.894 39.886 39.000 -0.013 0.000 1.137 83 F HN -0.030 nan 8.300 nan 0.000 0.524 84 G N -0.352 108.626 108.800 0.297 0.000 2.494 84 G HA2 -0.145 3.816 3.960 0.001 0.000 0.216 84 G HA3 -0.145 3.816 3.960 0.001 0.000 0.216 84 G C 1.272 176.296 174.900 0.206 0.000 1.140 84 G CA 0.265 45.554 45.100 0.316 0.000 0.801 84 G HN 0.270 nan 8.290 nan 0.000 0.536 85 Q N -0.193 119.663 119.800 0.093 0.000 2.541 85 Q HA 0.131 4.472 4.340 0.001 0.000 0.215 85 Q C 1.855 177.805 176.000 -0.084 0.000 0.977 85 Q CA 0.300 56.117 55.803 0.024 0.000 0.934 85 Q CB 0.210 28.954 28.738 0.011 0.000 0.988 85 Q HN 0.588 nan 8.270 nan 0.000 0.521 86 I N -0.772 119.661 120.570 -0.228 0.000 2.810 86 I HA -0.017 4.154 4.170 0.001 0.000 0.262 86 I C 0.036 175.919 176.117 -0.391 0.000 1.131 86 I CA 0.027 61.063 61.300 -0.440 0.000 1.453 86 I CB 0.482 38.025 38.000 -0.761 0.000 1.161 86 I HN -0.109 nan 8.210 nan 0.000 0.444 87 F N 1.618 121.507 119.950 -0.102 0.000 2.484 87 F HA 0.190 4.717 4.527 0.001 0.000 0.360 87 F C 0.950 176.713 175.800 -0.061 0.000 1.101 87 F CA -0.259 57.620 58.000 -0.201 0.000 1.251 87 F CB -0.003 38.781 39.000 -0.360 0.000 1.132 87 F HN -0.076 nan 8.300 nan 0.000 0.570 88 R N 4.991 125.526 120.500 0.059 0.000 2.504 88 R HA 0.005 4.346 4.340 0.001 0.000 0.291 88 R C -1.825 174.597 176.300 0.203 0.000 0.974 88 R CA -0.685 55.459 56.100 0.073 0.000 1.077 88 R CB 0.241 30.548 30.300 0.012 0.000 0.926 88 R HN 0.294 nan 8.270 nan 0.000 0.407 89 P HA -0.185 nan 4.420 nan 0.000 0.217 89 P C -0.425 177.059 177.300 0.306 0.000 1.148 89 P CA 1.624 64.890 63.100 0.277 0.000 0.834 89 P CB 0.083 31.843 31.700 0.102 0.000 0.783 90 D N -3.239 117.260 120.400 0.166 0.000 2.670 90 D HA 0.065 4.706 4.640 0.001 0.000 0.255 90 D C 0.296 176.618 176.300 0.036 0.000 1.286 90 D CA -0.261 53.795 54.000 0.093 0.000 0.830 90 D CB -1.600 39.215 40.800 0.024 0.000 1.065 90 D HN 0.081 nan 8.370 nan 0.000 0.486 91 N N -0.494 118.201 118.700 -0.009 0.000 2.268 91 N HA 0.162 4.902 4.740 0.001 0.000 0.204 91 N C -0.829 174.505 175.510 -0.294 0.000 1.124 91 N CA -0.295 52.657 53.050 -0.163 0.000 0.838 91 N CB 0.251 38.605 38.487 -0.221 0.000 0.994 91 N HN 0.092 nan 8.380 nan 0.000 0.489 92 F N 1.303 121.163 119.950 -0.151 0.000 2.391 92 F HA 0.263 4.792 4.527 0.003 0.000 0.359 92 F C 0.205 175.850 175.800 -0.258 0.000 1.122 92 F CA -1.101 56.772 58.000 -0.212 0.000 1.120 92 F CB 0.830 39.641 39.000 -0.316 0.000 1.142 92 F HN -0.250 nan 8.300 nan 0.000 0.483 93 V N 3.131 123.042 119.914 -0.005 0.000 2.311 93 V HA 0.364 4.485 4.120 0.001 0.000 0.275 93 V C 0.210 176.391 176.094 0.144 0.000 1.022 93 V CA -1.166 61.136 62.300 0.004 0.000 0.830 93 V CB -0.144 31.686 31.823 0.011 0.000 1.012 93 V HN 0.644 nan 8.190 nan 0.000 0.452 94 F N 2.229 122.218 119.950 0.065 0.000 2.266 94 F HA 0.521 5.048 4.527 0.001 0.000 0.287 94 F C 1.728 177.543 175.800 0.026 0.000 1.255 94 F CA 0.240 58.267 58.000 0.045 0.000 1.201 94 F CB 0.765 39.783 39.000 0.030 0.000 1.450 94 F HN 0.628 nan 8.300 nan 0.000 0.510 95 G N -2.190 106.741 108.800 0.218 0.000 2.448 95 G HA2 0.152 4.113 3.960 0.001 0.000 0.205 95 G HA3 0.152 4.113 3.960 0.001 0.000 0.205 95 G C 0.248 175.173 174.900 0.042 0.000 1.409 95 G CA 0.255 45.412 45.100 0.095 0.000 0.562 95 G HN 0.511 nan 8.290 nan 0.000 1.078 96 Q N 0.185 119.977 119.800 -0.013 0.000 2.171 96 Q HA -0.263 4.078 4.340 0.001 0.000 0.177 96 Q C 1.689 177.674 176.000 -0.025 0.000 2.915 96 Q CA 2.041 57.824 55.803 -0.034 0.000 0.195 96 Q CB -2.181 26.557 28.738 0.000 0.000 0.201 96 Q HN 0.930 nan 8.270 nan 0.000 0.378 97 S N 0.269 115.966 115.700 -0.004 0.000 2.650 97 S HA 0.494 4.965 4.470 0.001 0.000 0.251 97 S C 0.882 175.477 174.600 -0.007 0.000 1.325 97 S CA -0.120 58.079 58.200 -0.002 0.000 0.967 97 S CB 0.337 63.542 63.200 0.009 0.000 1.000 97 S HN 0.750 nan 8.310 nan 0.000 0.584 98 G N -1.465 107.332 108.800 -0.005 0.000 2.537 98 G HA2 0.535 4.496 3.960 0.001 0.000 0.273 98 G HA3 0.535 4.496 3.960 0.001 0.000 0.273 98 G C 0.801 175.700 174.900 -0.001 0.000 1.189 98 G CA -0.406 44.689 45.100 -0.009 0.000 0.881 98 G HN 1.054 nan 8.290 nan 0.000 0.535 99 A N -0.589 122.230 122.820 -0.002 0.000 1.984 99 A HA 0.438 4.759 4.320 0.001 0.000 0.214 99 A C 2.258 179.844 177.584 0.003 0.000 1.173 99 A CA 1.585 53.627 52.037 0.009 0.000 0.673 99 A CB -0.629 18.380 19.000 0.015 0.000 0.830 99 A HN 2.296 nan 8.150 nan 0.000 0.453 100 G N -0.641 108.146 108.800 -0.021 0.000 2.284 100 G HA2 -0.377 3.584 3.960 0.001 0.000 0.261 100 G HA3 -0.377 3.584 3.960 0.001 0.000 0.261 100 G C 0.393 175.255 174.900 -0.064 0.000 0.997 100 G CA 0.684 45.749 45.100 -0.058 0.000 0.621 100 G HN 0.953 nan 8.290 nan 0.000 0.534 101 N N -0.027 118.670 118.700 -0.005 0.000 2.727 101 N HA -0.207 4.534 4.740 0.001 0.000 0.251 101 N C -0.558 174.992 175.510 0.067 0.000 1.040 101 N CA 1.185 54.255 53.050 0.033 0.000 0.712 101 N CB -0.951 37.542 38.487 0.009 0.000 0.912 101 N HN 0.908 nan 8.380 nan 0.000 0.545 102 N N -0.351 118.413 118.700 0.107 0.000 2.503 102 N HA 0.035 4.776 4.740 0.001 0.000 0.287 102 N C 0.267 175.973 175.510 0.327 0.000 1.096 102 N CA -0.504 52.629 53.050 0.138 0.000 0.936 102 N CB 0.577 39.011 38.487 -0.090 0.000 1.570 102 N HN 0.242 nan 8.380 nan 0.000 0.504 103 W N 4.781 126.340 121.300 0.431 0.000 2.358 103 W HA 0.034 4.695 4.660 0.001 0.000 0.303 103 W C 1.874 178.634 176.519 0.402 0.000 1.208 103 W CA 2.435 60.005 57.345 0.375 0.000 1.274 103 W CB -0.070 29.589 29.460 0.331 0.000 1.138 103 W HN 0.771 nan 8.180 nan 0.000 0.515 104 A N 0.779 124.042 122.820 0.738 0.000 1.859 104 A HA -0.287 4.034 4.320 0.001 0.000 0.217 104 A C 2.021 179.780 177.584 0.292 0.000 1.198 104 A CA 2.354 54.710 52.037 0.531 0.000 0.629 104 A CB -1.033 18.247 19.000 0.466 0.000 0.830 104 A HN 0.317 nan 8.150 nan 0.000 0.446 105 K N -1.205 119.303 120.400 0.179 0.000 2.032 105 K HA -0.229 4.092 4.320 0.001 0.000 0.218 105 K C 2.120 178.754 176.600 0.056 0.000 1.054 105 K CA 1.648 57.993 56.287 0.097 0.000 0.941 105 K CB -0.748 31.783 32.500 0.052 0.000 0.720 105 K HN 0.522 nan 8.250 nan 0.000 0.449 106 G N -0.238 108.574 108.800 0.021 0.000 2.422 106 G HA2 -0.279 3.682 3.960 0.001 0.000 0.218 106 G HA3 -0.279 3.682 3.960 0.001 0.000 0.218 106 G C 1.305 176.113 174.900 -0.153 0.000 1.146 106 G CA 1.284 46.350 45.100 -0.057 0.000 0.769 106 G HN 0.410 nan 8.290 nan 0.000 0.547 107 H N -2.092 116.742 119.070 -0.394 0.000 2.547 107 H HA 0.307 4.863 4.556 0.001 0.000 0.272 107 H C 1.444 176.456 175.328 -0.526 0.000 0.971 107 H CA 0.641 56.306 56.048 -0.638 0.000 1.245 107 H CB 0.423 29.366 29.762 -1.366 0.000 1.440 107 H HN 0.416 nan 8.280 nan 0.000 0.540 108 Y N -1.868 118.343 120.300 -0.149 0.000 3.127 108 Y HA 0.100 4.651 4.550 0.001 0.000 0.196 108 Y C 2.551 178.418 175.900 -0.055 0.000 0.920 108 Y CA 0.686 58.737 58.100 -0.082 0.000 1.664 108 Y CB -0.285 38.192 38.460 0.028 0.000 1.399 108 Y HN 0.063 nan 8.280 nan 0.000 0.435 109 T N 0.186 114.848 114.554 0.180 0.000 2.634 109 T HA -0.104 4.247 4.350 0.001 0.000 0.243 109 T C 1.430 176.156 174.700 0.044 0.000 1.121 109 T CA 1.369 63.527 62.100 0.095 0.000 1.315 109 T CB -0.670 68.252 68.868 0.090 0.000 0.944 109 T HN 0.212 nan 8.240 nan 0.000 0.402 110 E N 1.512 121.735 120.200 0.038 0.000 2.265 110 E HA -0.043 4.307 4.350 0.001 0.000 0.196 110 E C 2.329 178.929 176.600 -0.000 0.000 0.996 110 E CA 1.055 57.467 56.400 0.020 0.000 0.832 110 E CB -0.581 29.131 29.700 0.021 0.000 0.756 110 E HN 0.678 nan 8.360 nan 0.000 0.491 111 G N 1.652 110.439 108.800 -0.021 0.000 2.473 111 G HA2 -0.025 3.935 3.960 0.001 0.000 0.212 111 G HA3 -0.025 3.935 3.960 0.001 0.000 0.212 111 G C 1.735 176.588 174.900 -0.079 0.000 1.211 111 G CA 0.651 45.717 45.100 -0.058 0.000 0.813 111 G HN 0.349 nan 8.290 nan 0.000 0.541 112 A N 0.816 123.571 122.820 -0.109 0.000 2.125 112 A HA 0.042 4.363 4.320 0.001 0.000 0.219 112 A C 2.014 179.563 177.584 -0.059 0.000 1.156 112 A CA 2.077 54.045 52.037 -0.115 0.000 0.671 112 A CB -0.382 18.528 19.000 -0.150 0.000 0.794 112 A HN 0.507 nan 8.150 nan 0.000 0.459 113 E N -0.135 120.046 120.200 -0.031 0.000 2.070 113 E HA -0.228 4.123 4.350 0.001 0.000 0.197 113 E C 1.667 178.259 176.600 -0.013 0.000 1.004 113 E CA 1.909 58.303 56.400 -0.011 0.000 0.805 113 E CB -0.321 29.381 29.700 0.003 0.000 0.744 113 E HN 0.483 nan 8.360 nan 0.000 0.451 114 L N -0.732 120.481 121.223 -0.016 0.000 2.117 114 L HA 0.056 4.397 4.340 0.001 0.000 0.200 114 L C 2.167 179.022 176.870 -0.026 0.000 1.110 114 L CA 1.617 56.452 54.840 -0.009 0.000 0.774 114 L CB -0.801 41.261 42.059 0.006 0.000 0.934 114 L HN 0.199 nan 8.230 nan 0.000 0.456 115 V N 0.340 120.226 119.914 -0.046 0.000 0.856 115 V HA -0.610 3.511 4.120 0.001 0.000 0.099 115 V C 2.234 178.299 176.094 -0.048 0.000 1.472 115 V CA 2.587 64.847 62.300 -0.066 0.000 3.130 115 V CB -1.138 30.624 31.823 -0.103 0.000 0.654 115 V HN 0.762 nan 8.190 nan 0.000 0.543 116 D N -0.318 120.058 120.400 -0.040 0.000 2.087 116 D HA -0.122 4.519 4.640 0.001 0.000 0.192 116 D C 2.157 178.447 176.300 -0.017 0.000 0.993 116 D CA 1.928 55.910 54.000 -0.029 0.000 0.828 116 D CB -0.529 40.257 40.800 -0.024 0.000 0.968 116 D HN 0.656 nan 8.370 nan 0.000 0.448 117 S N 0.099 115.792 115.700 -0.011 0.000 2.462 117 S HA -0.110 4.361 4.470 0.001 0.000 0.243 117 S C 2.202 176.798 174.600 -0.006 0.000 1.003 117 S CA 0.540 58.738 58.200 -0.005 0.000 0.970 117 S CB -0.143 63.057 63.200 0.001 0.000 0.762 117 S HN 0.133 nan 8.310 nan 0.000 0.510 118 V N 0.899 120.806 119.914 -0.011 0.000 2.331 118 V HA -0.001 4.119 4.120 0.001 0.000 0.242 118 V C 2.124 178.216 176.094 -0.002 0.000 1.034 118 V CA 0.964 63.256 62.300 -0.013 0.000 1.027 118 V CB -0.765 31.043 31.823 -0.025 0.000 0.667 118 V HN 0.307 nan 8.190 nan 0.000 0.457 119 L N 0.520 121.740 121.223 -0.006 0.000 2.042 119 L HA -0.249 4.092 4.340 0.001 0.000 0.210 119 L C 2.166 179.058 176.870 0.037 0.000 1.076 119 L CA 2.192 57.041 54.840 0.015 0.000 0.749 119 L CB -0.772 41.282 42.059 -0.009 0.000 0.893 119 L HN 0.337 nan 8.230 nan 0.000 0.432 120 D N -1.430 118.981 120.400 0.018 0.000 2.190 120 D HA -0.193 4.448 4.640 0.001 0.000 0.200 120 D C 2.158 178.476 176.300 0.031 0.000 0.992 120 D CA 1.240 55.252 54.000 0.021 0.000 0.854 120 D CB 0.092 40.897 40.800 0.008 0.000 0.936 120 D HN 0.090 nan 8.370 nan 0.000 0.462 121 V N -0.094 119.835 119.914 0.025 0.000 2.599 121 V HA -0.114 4.007 4.120 0.001 0.000 0.245 121 V C 2.407 178.529 176.094 0.045 0.000 1.046 121 V CA 1.094 63.407 62.300 0.022 0.000 1.065 121 V CB 0.203 32.025 31.823 -0.002 0.000 0.703 121 V HN 0.243 nan 8.190 nan 0.000 0.464 122 V N -0.118 119.838 119.914 0.070 0.000 2.407 122 V HA -0.241 3.879 4.120 0.001 0.000 0.248 122 V C 2.373 178.573 176.094 0.177 0.000 1.055 122 V CA 2.353 64.730 62.300 0.128 0.000 1.049 122 V CB -0.836 31.086 31.823 0.165 0.000 0.662 122 V HN 0.461 nan 8.190 nan 0.000 0.455 123 R N -0.157 120.457 120.500 0.190 0.000 2.152 123 R HA -0.137 4.204 4.340 0.001 0.000 0.232 123 R C 2.545 178.927 176.300 0.136 0.000 1.117 123 R CA 1.713 57.947 56.100 0.222 0.000 0.981 123 R CB -0.226 30.164 30.300 0.150 0.000 0.870 123 R HN 0.583 nan 8.270 nan 0.000 0.451 124 K N 0.175 120.625 120.400 0.083 0.000 2.031 124 K HA -0.103 4.217 4.320 0.001 0.000 0.205 124 K C 1.784 178.407 176.600 0.038 0.000 1.049 124 K CA 1.071 57.388 56.287 0.051 0.000 0.939 124 K CB 0.137 32.655 32.500 0.031 0.000 0.717 124 K HN 0.161 nan 8.250 nan 0.000 0.438 125 E N 0.223 120.442 120.200 0.031 0.000 2.072 125 E HA -0.161 4.190 4.350 0.001 0.000 0.191 125 E C 2.248 178.835 176.600 -0.023 0.000 0.985 125 E CA 1.364 57.765 56.400 0.002 0.000 0.801 125 E CB -0.160 29.536 29.700 -0.005 0.000 0.750 125 E HN 0.382 nan 8.360 nan 0.000 0.452 126 S N 1.570 117.262 115.700 -0.014 0.000 2.355 126 S HA -0.149 4.321 4.470 0.001 0.000 0.222 126 S C 1.914 176.525 174.600 0.019 0.000 1.031 126 S CA 1.034 59.196 58.200 -0.065 0.000 0.993 126 S CB -0.304 62.842 63.200 -0.091 0.000 0.859 126 S HN 0.104 nan 8.310 nan 0.000 0.453 127 E N 0.484 120.736 120.200 0.086 0.000 2.333 127 E HA -0.076 4.275 4.350 0.001 0.000 0.198 127 E C 1.071 177.693 176.600 0.037 0.000 1.007 127 E CA 0.882 57.330 56.400 0.080 0.000 0.845 127 E CB -0.015 29.735 29.700 0.083 0.000 0.766 127 E HN 0.559 nan 8.360 nan 0.000 0.507 128 S N -0.179 115.532 115.700 0.018 0.000 2.562 128 S HA 0.134 4.605 4.470 0.001 0.000 0.246 128 S C -0.069 174.525 174.600 -0.011 0.000 1.056 128 S CA -0.714 57.489 58.200 0.006 0.000 1.042 128 S CB -0.266 62.939 63.200 0.009 0.000 0.822 128 S HN 0.103 nan 8.310 nan 0.000 0.465 129 C N 0.731 120.017 119.300 -0.025 0.000 2.362 129 C HA 0.453 4.914 4.460 0.001 0.000 0.363 129 C C 1.758 176.731 174.990 -0.029 0.000 1.220 129 C CA -0.229 58.761 59.018 -0.046 0.000 2.379 129 C CB 1.278 28.962 27.740 -0.092 0.000 2.351 129 C HN 0.819 nan 8.230 nan 0.000 0.582 130 D N -0.565 119.816 120.400 -0.033 0.000 2.197 130 D HA -0.006 4.635 4.640 0.001 0.000 0.212 130 D C 0.344 176.629 176.300 -0.026 0.000 0.963 130 D CA 0.796 54.783 54.000 -0.022 0.000 0.864 130 D CB 0.284 41.074 40.800 -0.018 0.000 1.009 130 D HN 0.607 nan 8.370 nan 0.000 0.479 131 C N 1.500 120.774 119.300 -0.043 0.000 2.919 131 C HA 0.498 4.958 4.460 0.001 0.000 0.337 131 C C -0.767 174.175 174.990 -0.080 0.000 1.039 131 C CA -1.211 57.779 59.018 -0.045 0.000 1.373 131 C CB -0.820 26.899 27.740 -0.035 0.000 1.843 131 C HN 0.360 nan 8.230 nan 0.000 0.493 132 L N 5.324 126.487 121.223 -0.100 0.000 2.456 132 L HA 0.249 4.589 4.340 0.001 0.000 0.277 132 L C 1.452 178.212 176.870 -0.182 0.000 1.124 132 L CA 0.730 55.460 54.840 -0.184 0.000 0.880 132 L CB 0.585 42.498 42.059 -0.244 0.000 1.192 132 L HN 0.908 nan 8.230 nan 0.000 0.463 133 Q N 3.823 123.503 119.800 -0.201 0.000 2.050 133 Q HA 0.150 4.491 4.340 0.001 0.000 0.202 133 Q C 0.717 176.620 176.000 -0.162 0.000 0.980 133 Q CA 1.303 57.012 55.803 -0.156 0.000 0.840 133 Q CB 0.095 28.736 28.738 -0.162 0.000 0.898 133 Q HN 1.039 nan 8.270 nan 0.000 0.424 134 G N -2.083 106.534 108.800 -0.304 0.000 2.352 134 G HA2 0.199 4.160 3.960 0.001 0.000 0.283 134 G HA3 0.199 4.160 3.960 0.001 0.000 0.283 134 G C -1.761 172.835 174.900 -0.506 0.000 1.308 134 G CA -0.840 44.092 45.100 -0.282 0.000 0.892 134 G HN 0.080 nan 8.290 nan 0.000 0.504 135 F N 0.789 120.669 119.950 -0.117 0.000 2.546 135 F HA 0.727 5.254 4.527 0.001 0.000 0.320 135 F C 0.391 176.161 175.800 -0.051 0.000 1.076 135 F CA -0.742 57.201 58.000 -0.096 0.000 0.928 135 F CB 2.332 41.254 39.000 -0.130 0.000 1.189 135 F HN 0.693 nan 8.300 nan 0.000 0.465 136 Q N 2.103 122.005 119.800 0.171 0.000 2.377 136 Q HA 0.838 5.179 4.340 0.001 0.000 0.271 136 Q C -1.879 174.149 176.000 0.047 0.000 1.077 136 Q CA -1.209 54.685 55.803 0.150 0.000 0.820 136 Q CB 3.121 32.019 28.738 0.267 0.000 1.347 136 Q HN 0.695 nan 8.270 nan 0.000 0.444 137 L N 0.863 122.082 121.223 -0.006 0.000 2.408 137 L HA 0.706 5.047 4.340 0.001 0.000 0.268 137 L C -1.139 175.700 176.870 -0.053 0.000 0.986 137 L CA -0.028 54.714 54.840 -0.163 0.000 0.820 137 L CB 2.682 44.590 42.059 -0.251 0.000 1.303 137 L HN 0.930 nan 8.230 nan 0.000 0.411 138 T N 0.343 114.851 114.554 -0.076 0.000 2.888 138 T HA 0.916 5.267 4.350 0.001 0.000 0.284 138 T C -0.826 173.968 174.700 0.157 0.000 1.017 138 T CA -0.434 61.736 62.100 0.117 0.000 1.022 138 T CB 1.345 70.270 68.868 0.095 0.000 1.013 138 T HN 1.061 nan 8.240 nan 0.000 0.465 139 H N -1.474 117.652 119.070 0.094 0.000 2.961 139 H HA 0.364 4.921 4.556 0.001 0.000 0.278 139 H C -0.926 174.458 175.328 0.093 0.000 1.338 139 H CA -1.119 54.976 56.048 0.077 0.000 1.373 139 H CB -0.295 29.510 29.762 0.072 0.000 1.915 139 H HN 0.771 nan 8.280 nan 0.000 0.500 140 S N 0.927 116.646 115.700 0.032 0.000 2.568 140 S HA 0.205 4.676 4.470 0.001 0.000 0.282 140 S C 0.924 175.400 174.600 -0.207 0.000 1.338 140 S CA -0.523 57.643 58.200 -0.057 0.000 1.045 140 S CB 1.146 64.343 63.200 -0.005 0.000 0.873 140 S HN 0.496 nan 8.310 nan 0.000 0.516 141 L N 1.714 122.857 121.223 -0.134 0.000 2.316 141 L HA 0.361 4.702 4.340 0.001 0.000 0.207 141 L C 1.421 178.294 176.870 0.006 0.000 1.070 141 L CA 1.208 55.980 54.840 -0.114 0.000 0.820 141 L CB -0.982 41.026 42.059 -0.085 0.000 0.992 141 L HN 0.935 nan 8.230 nan 0.000 0.466 142 G N -1.478 107.338 108.800 0.027 0.000 2.477 142 G HA2 0.475 4.436 3.960 0.001 0.000 0.304 142 G HA3 0.475 4.436 3.960 0.001 0.000 0.304 142 G C -0.253 174.704 174.900 0.096 0.000 1.175 142 G CA 0.049 45.195 45.100 0.076 0.000 0.907 142 G HN 0.516 nan 8.290 nan 0.000 0.509 143 G N -1.192 107.689 108.800 0.135 0.000 2.778 143 G HA2 0.264 4.225 3.960 0.001 0.000 0.686 143 G HA3 0.264 4.225 3.960 0.001 0.000 0.686 143 G C 0.999 175.996 174.900 0.162 0.000 1.309 143 G CA 0.051 45.227 45.100 0.127 0.000 0.904 143 G HN 1.555 nan 8.290 nan 0.000 0.593 144 G N -0.087 108.805 108.800 0.154 0.000 2.404 144 G HA2 0.127 4.088 3.960 0.001 0.000 0.213 144 G HA3 0.127 4.088 3.960 0.001 0.000 0.213 144 G C 1.951 176.912 174.900 0.102 0.000 1.189 144 G CA 1.952 47.154 45.100 0.171 0.000 0.796 144 G HN 1.814 nan 8.290 nan 0.000 0.532 145 T N 0.490 115.086 114.554 0.069 0.000 2.746 145 T HA 0.036 4.387 4.350 0.001 0.000 0.267 145 T C 2.397 177.143 174.700 0.076 0.000 1.039 145 T CA 2.201 64.331 62.100 0.050 0.000 1.142 145 T CB -0.723 68.168 68.868 0.040 0.000 0.866 145 T HN 0.234 nan 8.240 nan 0.000 0.444 146 G N 0.926 109.785 108.800 0.098 0.000 2.552 146 G HA2 -0.216 3.745 3.960 0.001 0.000 0.216 146 G HA3 -0.216 3.745 3.960 0.001 0.000 0.216 146 G C 2.063 177.094 174.900 0.218 0.000 1.240 146 G CA 1.752 46.940 45.100 0.147 0.000 0.796 146 G HN 0.707 nan 8.290 nan 0.000 0.568 147 S N 0.744 116.536 115.700 0.154 0.000 2.345 147 S HA 0.081 4.552 4.470 0.001 0.000 0.219 147 S C 2.514 177.276 174.600 0.271 0.000 1.031 147 S CA 1.553 59.883 58.200 0.218 0.000 0.984 147 S CB -1.126 62.221 63.200 0.245 0.000 0.874 147 S HN 0.538 nan 8.310 nan 0.000 0.451 148 G N 1.615 110.468 108.800 0.088 0.000 2.480 148 G HA2 -0.186 3.775 3.960 0.001 0.000 0.216 148 G HA3 -0.186 3.775 3.960 0.001 0.000 0.216 148 G C 1.524 176.314 174.900 -0.183 0.000 1.200 148 G CA 1.146 45.974 45.100 -0.453 0.000 0.782 148 G HN 0.440 nan 8.290 nan 0.000 0.554 149 M N 0.855 120.409 119.600 -0.077 0.000 2.156 149 M HA 0.031 4.511 4.480 0.001 0.000 0.264 149 M C 2.700 178.990 176.300 -0.016 0.000 1.067 149 M CA 1.549 56.804 55.300 -0.075 0.000 1.131 149 M CB -0.513 32.058 32.600 -0.049 0.000 1.368 149 M HN 0.299 nan 8.290 nan 0.000 0.416 150 G N 0.386 109.232 108.800 0.075 0.000 2.631 150 G HA2 -0.354 3.607 3.960 0.001 0.000 0.219 150 G HA3 -0.354 3.607 3.960 0.001 0.000 0.219 150 G C 1.335 176.287 174.900 0.087 0.000 1.214 150 G CA 2.164 47.323 45.100 0.098 0.000 0.785 150 G HN 0.582 nan 8.290 nan 0.000 0.596 151 T N -0.180 114.497 114.554 0.205 0.000 2.881 151 T HA -0.084 4.267 4.350 0.001 0.000 0.270 151 T C 2.264 177.083 174.700 0.198 0.000 1.068 151 T CA 1.351 63.585 62.100 0.223 0.000 1.131 151 T CB -0.210 68.849 68.868 0.319 0.000 0.871 151 T HN 0.148 nan 8.240 nan 0.000 0.479 152 L N 0.866 122.161 121.223 0.119 0.000 1.988 152 L HA 0.187 4.528 4.340 0.001 0.000 0.207 152 L C 2.423 179.205 176.870 -0.147 0.000 1.071 152 L CA 1.423 56.134 54.840 -0.215 0.000 0.744 152 L CB -0.985 40.752 42.059 -0.536 0.000 0.893 152 L HN 0.242 nan 8.230 nan 0.000 0.433 153 L N -0.190 120.963 121.223 -0.116 0.000 1.997 153 L HA -0.294 4.047 4.340 0.001 0.000 0.216 153 L C 2.605 179.398 176.870 -0.129 0.000 1.074 153 L CA 2.266 57.035 54.840 -0.119 0.000 0.763 153 L CB -0.684 41.312 42.059 -0.105 0.000 0.890 153 L HN 0.511 nan 8.230 nan 0.000 0.434 154 I N -4.107 116.401 120.570 -0.104 0.000 2.264 154 I HA -0.251 3.920 4.170 0.001 0.000 0.248 154 I C 2.602 178.660 176.117 -0.098 0.000 1.111 154 I CA 1.704 62.932 61.300 -0.119 0.000 1.382 154 I CB -0.613 37.341 38.000 -0.077 0.000 1.060 154 I HN 0.108 nan 8.210 nan 0.000 0.418 155 S N 0.857 116.521 115.700 -0.059 0.000 2.402 155 S HA -0.057 4.414 4.470 0.001 0.000 0.229 155 S C 1.943 176.492 174.600 -0.085 0.000 1.021 155 S CA 1.011 59.180 58.200 -0.052 0.000 0.974 155 S CB -0.141 63.047 63.200 -0.021 0.000 0.800 155 S HN 0.451 nan 8.310 nan 0.000 0.484 156 K N 0.434 120.767 120.400 -0.111 0.000 2.365 156 K HA 0.117 4.437 4.320 0.001 0.000 0.197 156 K C 1.459 177.991 176.600 -0.113 0.000 1.042 156 K CA 0.278 56.496 56.287 -0.114 0.000 0.987 156 K CB 0.033 32.459 32.500 -0.123 0.000 0.779 156 K HN 0.375 nan 8.250 nan 0.000 0.484 157 I N 0.870 121.352 120.570 -0.147 0.000 2.296 157 I HA -0.071 4.100 4.170 0.001 0.000 0.242 157 I C 1.071 177.132 176.117 -0.094 0.000 1.087 157 I CA 0.651 61.833 61.300 -0.196 0.000 1.393 157 I CB -0.677 37.023 38.000 -0.499 0.000 1.093 157 I HN -0.005 nan 8.210 nan 0.000 0.421 158 R N 1.516 121.954 120.500 -0.103 0.000 2.817 158 R HA -0.085 4.255 4.340 0.001 0.000 0.264 158 R C 1.208 177.476 176.300 -0.053 0.000 1.009 158 R CA 0.540 56.614 56.100 -0.044 0.000 1.133 158 R CB -0.239 30.034 30.300 -0.044 0.000 1.013 158 R HN 0.362 nan 8.270 nan 0.000 0.453 159 E N -0.117 120.055 120.200 -0.046 0.000 4.386 159 E HA -0.279 4.072 4.350 0.001 0.000 0.158 159 E C 0.754 177.282 176.600 -0.121 0.000 1.059 159 E CA 1.369 57.727 56.400 -0.070 0.000 2.597 159 E CB -1.006 28.651 29.700 -0.071 0.000 1.637 159 E HN 0.734 nan 8.360 nan 0.000 0.562 160 E N -0.890 119.205 120.200 -0.176 0.000 2.112 160 E HA -0.055 4.295 4.350 0.001 0.000 0.190 160 E C 0.024 176.295 176.600 -0.547 0.000 0.979 160 E CA 1.217 57.370 56.400 -0.411 0.000 0.814 160 E CB 0.254 29.652 29.700 -0.503 0.000 0.762 160 E HN 0.342 nan 8.360 nan 0.000 0.460 161 Y N -0.504 119.779 120.300 -0.029 0.000 2.513 161 Y HA 0.202 4.753 4.550 0.001 0.000 0.341 161 Y C -2.002 173.903 175.900 0.009 0.000 1.075 161 Y CA -1.767 56.352 58.100 0.032 0.000 1.190 161 Y CB 1.074 39.625 38.460 0.152 0.000 1.111 161 Y HN 0.023 nan 8.280 nan 0.000 0.644 162 P HA -0.154 nan 4.420 nan 0.000 0.213 162 P C 0.993 178.336 177.300 0.071 0.000 1.170 162 P CA 1.516 64.650 63.100 0.056 0.000 0.889 162 P CB 0.607 32.320 31.700 0.021 0.000 0.782 163 D N -0.570 119.874 120.400 0.073 0.000 2.608 163 D HA -0.229 4.412 4.640 0.001 0.000 0.573 163 D C 0.609 176.963 176.300 0.089 0.000 0.844 163 D CA 1.778 55.831 54.000 0.089 0.000 1.621 163 D CB -0.594 40.290 40.800 0.141 0.000 0.264 163 D HN 0.134 nan 8.370 nan 0.000 0.455 164 R N 0.246 120.831 120.500 0.141 0.000 2.596 164 R HA 0.560 4.901 4.340 0.001 0.000 0.267 164 R C 0.442 176.809 176.300 0.112 0.000 1.026 164 R CA -0.779 55.390 56.100 0.115 0.000 1.087 164 R CB 0.440 30.821 30.300 0.135 0.000 1.132 164 R HN 0.489 nan 8.270 nan 0.000 0.531 165 I N -1.681 118.929 120.570 0.067 0.000 2.664 165 I HA 0.428 4.598 4.170 0.001 0.000 0.308 165 I C -0.047 176.102 176.117 0.054 0.000 0.984 165 I CA -0.853 60.467 61.300 0.033 0.000 1.213 165 I CB 0.860 38.853 38.000 -0.012 0.000 1.379 165 I HN 0.156 nan 8.210 nan 0.000 0.501 166 M N 4.716 124.303 119.600 -0.023 0.000 2.205 166 M HA 0.488 4.969 4.480 0.001 0.000 0.344 166 M C -1.198 175.040 176.300 -0.103 0.000 1.085 166 M CA -0.656 54.618 55.300 -0.043 0.000 1.001 166 M CB 0.560 33.102 32.600 -0.097 0.000 1.626 166 M HN 0.791 nan 8.290 nan 0.000 0.442 167 N N 2.136 120.805 118.700 -0.051 0.000 2.295 167 N HA 0.673 5.414 4.740 0.001 0.000 0.293 167 N C -1.763 173.702 175.510 -0.074 0.000 1.040 167 N CA -0.125 52.879 53.050 -0.076 0.000 0.840 167 N CB 1.712 40.208 38.487 0.016 0.000 1.468 167 N HN 0.695 nan 8.380 nan 0.000 0.478 168 T N -0.139 114.330 114.554 -0.141 0.000 2.916 168 T HA 0.557 4.908 4.350 0.001 0.000 0.298 168 T C -0.737 173.874 174.700 -0.148 0.000 1.031 168 T CA -0.577 61.479 62.100 -0.074 0.000 0.993 168 T CB 0.444 69.315 68.868 0.006 0.000 1.045 168 T HN 0.177 nan 8.240 nan 0.000 0.454 169 F N 1.889 121.937 119.950 0.163 0.000 2.350 169 F HA 0.528 5.056 4.527 0.002 0.000 0.365 169 F C 0.608 176.573 175.800 0.276 0.000 1.122 169 F CA -0.607 57.513 58.000 0.201 0.000 1.139 169 F CB 1.218 40.255 39.000 0.062 0.000 1.220 169 F HN 0.564 nan 8.300 nan 0.000 0.499 170 S N 2.535 118.466 115.700 0.385 0.000 2.640 170 S HA 0.389 4.860 4.470 0.001 0.000 0.320 170 S C -0.438 174.269 174.600 0.178 0.000 1.097 170 S CA -0.951 57.438 58.200 0.316 0.000 1.092 170 S CB 1.114 64.513 63.200 0.331 0.000 0.988 170 S HN 0.384 nan 8.310 nan 0.000 0.470 171 V N 0.244 120.231 119.914 0.122 0.000 2.381 171 V HA 0.534 4.655 4.120 0.001 0.000 0.257 171 V C 0.785 176.900 176.094 0.036 0.000 1.057 171 V CA -0.695 61.661 62.300 0.094 0.000 1.013 171 V CB -0.943 30.940 31.823 0.099 0.000 1.069 171 V HN 0.905 nan 8.190 nan 0.000 0.484 172 M N 6.924 126.538 119.600 0.023 0.000 2.356 172 M HA 0.467 4.948 4.480 0.001 0.000 0.348 172 M C -1.921 174.374 176.300 -0.007 0.000 1.595 172 M CA -1.135 54.149 55.300 -0.027 0.000 1.095 172 M CB -0.793 31.750 32.600 -0.095 0.000 1.963 172 M HN 0.708 nan 8.290 nan 0.000 0.459 173 P HA 0.677 nan 4.420 nan 0.000 0.278 173 P C -0.504 176.793 177.300 -0.004 0.000 1.266 173 P CA -0.147 62.963 63.100 0.016 0.000 0.807 173 P CB 1.482 33.196 31.700 0.023 0.000 1.094 174 S N -0.445 115.255 115.700 -0.000 0.000 2.579 174 S HA 0.521 4.991 4.470 0.001 0.000 0.272 174 S C -2.179 172.397 174.600 -0.040 0.000 1.141 174 S CA -1.450 56.736 58.200 -0.023 0.000 0.843 174 S CB 1.366 64.552 63.200 -0.023 0.000 1.122 174 S HN 0.181 nan 8.310 nan 0.000 0.468 175 P HA -0.148 nan 4.420 nan 0.000 0.213 175 P C -0.192 177.050 177.300 -0.096 0.000 1.176 175 P CA 1.496 64.556 63.100 -0.066 0.000 0.919 175 P CB -0.549 31.114 31.700 -0.062 0.000 0.791 176 K N 0.441 120.754 120.400 -0.145 0.000 2.368 176 K HA 0.317 4.638 4.320 0.001 0.000 0.282 176 K C -0.018 176.410 176.600 -0.287 0.000 1.035 176 K CA -0.667 55.461 56.287 -0.266 0.000 0.973 176 K CB 0.470 32.721 32.500 -0.414 0.000 0.957 176 K HN -0.169 nan 8.250 nan 0.000 0.474 177 V N 1.220 120.964 119.914 -0.283 0.000 5.998 177 V HA -0.242 3.879 4.120 0.001 0.000 0.253 177 V C -0.646 175.419 176.094 -0.049 0.000 0.630 177 V CA 1.381 63.570 62.300 -0.185 0.000 0.750 177 V CB -1.892 29.814 31.823 -0.196 0.000 0.744 177 V HN 1.102 nan 8.190 nan 0.000 0.481 178 S N 0.968 116.658 115.700 -0.018 0.000 2.570 178 S HA 0.771 5.242 4.470 0.001 0.000 0.270 178 S C 0.112 174.741 174.600 0.050 0.000 1.149 178 S CA -0.096 58.134 58.200 0.049 0.000 0.837 178 S CB 2.408 65.617 63.200 0.015 0.000 1.124 178 S HN 0.457 nan 8.310 nan 0.000 0.465 179 D N 0.896 121.343 120.400 0.079 0.000 2.423 179 D HA 0.194 4.835 4.640 0.001 0.000 0.208 179 D C 0.096 176.422 176.300 0.044 0.000 1.068 179 D CA 0.359 54.402 54.000 0.071 0.000 0.860 179 D CB 0.084 40.945 40.800 0.101 0.000 0.992 179 D HN 0.573 nan 8.370 nan 0.000 0.504 180 T N 0.039 114.613 114.554 0.032 0.000 2.886 180 T HA 0.329 4.680 4.350 0.001 0.000 0.292 180 T C 1.347 176.030 174.700 -0.029 0.000 1.012 180 T CA -0.733 61.378 62.100 0.018 0.000 0.982 180 T CB 2.772 71.661 68.868 0.035 0.000 1.018 180 T HN -0.222 nan 8.240 nan 0.000 0.451 181 V N 1.783 121.660 119.914 -0.062 0.000 2.720 181 V HA -0.117 4.004 4.120 0.001 0.000 0.256 181 V C 2.383 178.285 176.094 -0.320 0.000 1.082 181 V CA 1.536 63.703 62.300 -0.221 0.000 1.101 181 V CB -1.141 30.466 31.823 -0.359 0.000 0.693 181 V HN 0.883 nan 8.190 nan 0.000 0.479 182 V N -2.711 117.114 119.914 -0.148 0.000 3.649 182 V HA 0.156 4.277 4.120 0.001 0.000 0.275 182 V C 1.894 177.995 176.094 0.012 0.000 1.281 182 V CA 0.727 62.984 62.300 -0.070 0.000 1.143 182 V CB -0.181 31.799 31.823 0.260 0.000 0.892 182 V HN 0.443 nan 8.190 nan 0.000 0.441 183 E N 1.757 121.955 120.200 -0.003 0.000 2.086 183 E HA -0.179 4.172 4.350 0.001 0.000 0.205 183 E C -0.226 176.402 176.600 0.047 0.000 1.027 183 E CA 2.603 59.026 56.400 0.039 0.000 0.830 183 E CB -1.323 28.387 29.700 0.016 0.000 0.751 183 E HN 0.570 nan 8.360 nan 0.000 0.456 184 P HA -0.269 nan 4.420 nan 0.000 0.219 184 P C 1.027 178.491 177.300 0.273 0.000 1.159 184 P CA 1.810 64.969 63.100 0.097 0.000 0.944 184 P CB -0.415 31.297 31.700 0.019 0.000 0.792 185 Y N -0.391 120.085 120.300 0.294 0.000 2.053 185 Y HA -0.262 4.289 4.550 0.001 0.000 0.277 185 Y C 2.653 178.507 175.900 -0.076 0.000 1.159 185 Y CA 0.847 59.098 58.100 0.252 0.000 1.125 185 Y CB -1.024 37.580 38.460 0.240 0.000 0.969 185 Y HN -0.005 nan 8.280 nan 0.000 0.492 186 N N 0.167 118.993 118.700 0.210 0.000 2.104 186 N HA -0.189 4.552 4.740 0.001 0.000 0.190 186 N C 1.830 177.303 175.510 -0.061 0.000 1.024 186 N CA 1.371 54.491 53.050 0.116 0.000 0.853 186 N CB -0.571 38.074 38.487 0.263 0.000 1.008 186 N HN 0.400 nan 8.380 nan 0.000 0.424 187 A N 0.348 123.151 122.820 -0.029 0.000 1.855 187 A HA -0.077 4.243 4.320 0.001 0.000 0.215 187 A C 2.369 179.847 177.584 -0.177 0.000 1.191 187 A CA 1.939 53.932 52.037 -0.073 0.000 0.613 187 A CB -1.065 17.910 19.000 -0.041 0.000 0.829 187 A HN 0.315 nan 8.150 nan 0.000 0.442 188 T N 0.511 114.914 114.554 -0.252 0.000 2.788 188 T HA -0.098 4.253 4.350 0.001 0.000 0.268 188 T C 1.785 176.179 174.700 -0.509 0.000 1.044 188 T CA 1.432 63.271 62.100 -0.435 0.000 1.139 188 T CB -0.361 67.997 68.868 -0.850 0.000 0.867 188 T HN 0.309 nan 8.240 nan 0.000 0.454 189 L N 0.626 121.431 121.223 -0.697 0.000 2.141 189 L HA -0.066 4.275 4.340 0.001 0.000 0.209 189 L C 2.656 178.987 176.870 -0.898 0.000 1.094 189 L CA 0.914 55.096 54.840 -1.096 0.000 0.763 189 L CB -0.245 40.661 42.059 -1.923 0.000 0.908 189 L HN 0.240 nan 8.230 nan 0.000 0.437 190 S N -1.409 113.982 115.700 -0.514 0.000 2.421 190 S HA -0.079 4.392 4.470 0.001 0.000 0.224 190 S C 1.937 176.539 174.600 0.003 0.000 1.035 190 S CA 0.411 58.581 58.200 -0.051 0.000 0.953 190 S CB 0.134 63.418 63.200 0.141 0.000 0.810 190 S HN 0.113 nan 8.310 nan 0.000 0.497 191 V N 2.326 122.214 119.914 -0.044 0.000 2.324 191 V HA -0.255 3.866 4.120 0.001 0.000 0.250 191 V C 2.442 178.553 176.094 0.028 0.000 1.060 191 V CA 2.298 64.611 62.300 0.023 0.000 1.042 191 V CB -0.660 31.166 31.823 0.006 0.000 0.650 191 V HN 0.563 nan 8.190 nan 0.000 0.450 192 H N 0.120 119.089 119.070 -0.169 0.000 2.270 192 H HA -0.192 4.365 4.556 0.001 0.000 0.299 192 H C 2.240 177.539 175.328 -0.049 0.000 1.077 192 H CA 2.541 58.495 56.048 -0.156 0.000 1.294 192 H CB -0.497 29.118 29.762 -0.245 0.000 1.371 192 H HN 0.401 nan 8.280 nan 0.000 0.491 193 Q N 0.226 119.944 119.800 -0.136 0.000 2.096 193 Q HA -0.126 4.215 4.340 0.001 0.000 0.208 193 Q C 2.726 178.773 176.000 0.079 0.000 0.993 193 Q CA 2.246 58.000 55.803 -0.082 0.000 0.862 193 Q CB -0.466 28.296 28.738 0.040 0.000 0.915 193 Q HN 0.562 nan 8.270 nan 0.000 0.416 194 L N -1.102 120.224 121.223 0.172 0.000 2.017 194 L HA -0.174 4.167 4.340 0.001 0.000 0.208 194 L C 2.283 179.371 176.870 0.362 0.000 1.073 194 L CA 1.093 56.098 54.840 0.276 0.000 0.745 194 L CB -0.791 41.508 42.059 0.400 0.000 0.894 194 L HN 0.162 nan 8.230 nan 0.000 0.432 195 V N -0.104 120.032 119.914 0.370 0.000 2.794 195 V HA -0.242 3.879 4.120 0.001 0.000 0.260 195 V C 2.305 178.540 176.094 0.235 0.000 1.103 195 V CA 1.628 64.108 62.300 0.299 0.000 1.125 195 V CB -0.342 31.559 31.823 0.129 0.000 0.702 195 V HN 0.456 nan 8.190 nan 0.000 0.494 196 E N -0.937 119.372 120.200 0.182 0.000 2.290 196 E HA 0.081 4.432 4.350 0.001 0.000 0.197 196 E C 1.392 178.040 176.600 0.079 0.000 0.948 196 E CA 0.371 56.842 56.400 0.118 0.000 0.895 196 E CB -0.063 29.683 29.700 0.078 0.000 0.865 196 E HN 0.553 nan 8.360 nan 0.000 0.486 197 N N 0.485 119.226 118.700 0.068 0.000 2.181 197 N HA 0.011 4.751 4.740 0.001 0.000 0.207 197 N C 0.371 175.848 175.510 -0.055 0.000 1.182 197 N CA 0.368 53.422 53.050 0.007 0.000 0.893 197 N CB 1.228 39.723 38.487 0.013 0.000 1.032 197 N HN 0.165 nan 8.380 nan 0.000 0.513 198 T N -2.701 111.789 114.554 -0.105 0.000 2.938 198 T HA 0.442 4.793 4.350 0.001 0.000 0.285 198 T C 0.207 174.518 174.700 -0.649 0.000 1.028 198 T CA -0.503 61.422 62.100 -0.292 0.000 1.005 198 T CB 2.252 70.961 68.868 -0.265 0.000 1.157 198 T HN -0.249 nan 8.240 nan 0.000 0.550 199 D N 0.075 120.091 120.400 -0.641 0.000 2.470 199 D HA 0.191 4.832 4.640 0.001 0.000 0.238 199 D C -0.234 175.620 176.300 -0.743 0.000 1.054 199 D CA 0.542 54.154 54.000 -0.647 0.000 0.896 199 D CB 0.668 41.298 40.800 -0.283 0.000 1.118 199 D HN 0.735 nan 8.370 nan 0.000 0.497 200 E N -0.238 119.580 120.200 -0.637 0.000 2.308 200 E HA 0.498 4.849 4.350 0.001 0.000 0.275 200 E C -1.154 175.043 176.600 -0.671 0.000 0.890 200 E CA -0.581 55.372 56.400 -0.745 0.000 0.754 200 E CB 2.219 31.559 29.700 -0.600 0.000 1.207 200 E HN -0.302 nan 8.360 nan 0.000 0.426 201 T N 1.765 115.858 114.554 -0.769 0.000 2.792 201 T HA 0.333 4.684 4.350 0.001 0.000 0.280 201 T C -1.001 173.408 174.700 -0.486 0.000 0.990 201 T CA -0.634 61.201 62.100 -0.442 0.000 0.960 201 T CB 0.206 69.015 68.868 -0.099 0.000 0.939 201 T HN 0.286 nan 8.240 nan 0.000 0.439 202 Y N 1.652 121.814 120.300 -0.230 0.000 2.436 202 Y HA 0.239 4.790 4.550 0.001 0.000 0.343 202 Y C 1.144 177.109 175.900 0.108 0.000 1.008 202 Y CA -0.355 57.725 58.100 -0.033 0.000 1.241 202 Y CB 0.536 38.919 38.460 -0.128 0.000 1.153 202 Y HN 0.497 nan 8.280 nan 0.000 0.521 203 S N 5.539 121.404 115.700 0.275 0.000 2.485 203 S HA 0.329 4.799 4.470 0.001 0.000 0.312 203 S C -0.202 174.525 174.600 0.212 0.000 1.102 203 S CA -0.536 57.796 58.200 0.219 0.000 1.066 203 S CB -0.718 62.579 63.200 0.162 0.000 1.102 203 S HN 0.433 nan 8.310 nan 0.000 0.519 204 I N 2.832 123.531 120.570 0.216 0.000 2.291 204 I HA 0.167 4.338 4.170 0.001 0.000 0.292 204 I C 0.399 176.586 176.117 0.118 0.000 1.064 204 I CA -0.330 61.082 61.300 0.186 0.000 1.269 204 I CB 0.438 38.566 38.000 0.213 0.000 1.418 204 I HN 0.329 nan 8.210 nan 0.000 0.485 205 D N 5.680 126.136 120.400 0.092 0.000 2.325 205 D HA 0.051 4.692 4.640 0.001 0.000 0.251 205 D C 0.898 177.247 176.300 0.082 0.000 1.196 205 D CA 0.172 54.204 54.000 0.054 0.000 0.866 205 D CB 0.814 41.633 40.800 0.031 0.000 1.101 205 D HN 0.426 nan 8.370 nan 0.000 0.476 206 N N 2.957 121.704 118.700 0.079 0.000 2.223 206 N HA -0.193 4.548 4.740 0.001 0.000 0.185 206 N C 1.359 176.934 175.510 0.109 0.000 1.016 206 N CA 0.760 53.875 53.050 0.109 0.000 0.863 206 N CB 0.240 38.796 38.487 0.116 0.000 0.983 206 N HN 0.619 nan 8.380 nan 0.000 0.429 207 E N 1.087 121.329 120.200 0.069 0.000 2.033 207 E HA -0.173 4.178 4.350 0.001 0.000 0.199 207 E C 1.897 178.572 176.600 0.124 0.000 1.011 207 E CA 1.777 58.218 56.400 0.069 0.000 0.815 207 E CB -0.287 29.430 29.700 0.028 0.000 0.755 207 E HN 0.286 nan 8.360 nan 0.000 0.451 208 A N 0.557 123.438 122.820 0.101 0.000 1.873 208 A HA -0.224 4.097 4.320 0.001 0.000 0.218 208 A C 2.198 179.862 177.584 0.132 0.000 1.193 208 A CA 1.798 53.901 52.037 0.110 0.000 0.629 208 A CB -1.069 17.989 19.000 0.097 0.000 0.826 208 A HN 0.389 nan 8.150 nan 0.000 0.447 209 L N -1.753 119.550 121.223 0.133 0.000 1.978 209 L HA -0.233 4.108 4.340 0.001 0.000 0.218 209 L C 2.403 179.357 176.870 0.140 0.000 1.075 209 L CA 2.466 57.381 54.840 0.125 0.000 0.767 209 L CB -1.417 40.720 42.059 0.131 0.000 0.890 209 L HN 0.611 nan 8.230 nan 0.000 0.434 210 Y N 0.327 120.660 120.300 0.054 0.000 2.207 210 Y HA -0.279 4.272 4.550 0.001 0.000 0.287 210 Y C 2.431 178.383 175.900 0.087 0.000 1.156 210 Y CA 1.998 60.131 58.100 0.055 0.000 1.182 210 Y CB -0.236 38.254 38.460 0.050 0.000 0.979 210 Y HN 0.342 nan 8.280 nan 0.000 0.521 211 D N 0.105 120.657 120.400 0.254 0.000 2.117 211 D HA -0.184 4.457 4.640 0.001 0.000 0.197 211 D C 2.032 178.385 176.300 0.088 0.000 0.987 211 D CA 1.714 55.823 54.000 0.182 0.000 0.829 211 D CB -0.187 40.709 40.800 0.161 0.000 0.961 211 D HN 0.408 nan 8.370 nan 0.000 0.460 212 I N 0.680 121.289 120.570 0.066 0.000 2.700 212 I HA -0.234 3.937 4.170 0.001 0.000 0.261 212 I C 2.188 178.305 176.117 -0.000 0.000 1.219 212 I CA 0.672 61.997 61.300 0.041 0.000 1.463 212 I CB 0.012 38.040 38.000 0.047 0.000 1.092 212 I HN 0.087 nan 8.210 nan 0.000 0.452 213 C N -1.750 117.510 119.300 -0.067 0.000 2.558 213 C HA 0.123 4.584 4.460 0.001 0.000 0.288 213 C C 2.362 177.247 174.990 -0.176 0.000 1.338 213 C CA -0.295 58.628 59.018 -0.159 0.000 1.760 213 C CB -0.656 26.915 27.740 -0.283 0.000 2.159 213 C HN 0.400 nan 8.230 nan 0.000 0.518 214 F N 2.081 121.882 119.950 -0.249 0.000 2.343 214 F HA 0.165 4.693 4.527 0.002 0.000 0.286 214 F C 2.703 178.462 175.800 -0.067 0.000 1.057 214 F CA 1.512 59.409 58.000 -0.172 0.000 1.365 214 F CB -0.831 38.058 39.000 -0.185 0.000 1.114 214 F HN 0.054 nan 8.300 nan 0.000 0.545 215 R N -0.011 120.603 120.500 0.191 0.000 2.148 215 R HA 0.080 4.421 4.340 0.001 0.000 0.223 215 R C 0.605 176.956 176.300 0.085 0.000 1.088 215 R CA 1.698 57.862 56.100 0.106 0.000 0.985 215 R CB -1.957 28.390 30.300 0.078 0.000 0.880 215 R HN 0.327 nan 8.270 nan 0.000 0.451 216 T N -4.568 110.032 114.554 0.077 0.000 3.201 216 T HA 0.566 4.917 4.350 0.001 0.000 0.338 216 T C 0.143 174.872 174.700 0.048 0.000 1.095 216 T CA 0.258 62.395 62.100 0.062 0.000 1.426 216 T CB 0.205 69.106 68.868 0.055 0.000 0.956 216 T HN 1.222 nan 8.240 nan 0.000 0.551 217 L N -1.388 119.860 121.223 0.041 0.000 5.768 217 L HA 0.757 5.098 4.340 0.001 0.000 0.594 217 L C 1.449 178.309 176.870 -0.015 0.000 0.565 217 L CA 0.691 55.537 54.840 0.010 0.000 2.529 217 L CB -1.848 40.198 42.059 -0.022 0.000 1.938 217 L HN 1.504 nan 8.230 nan 0.000 0.555 218 K N -0.988 119.418 120.400 0.010 0.000 2.914 218 K HA 0.281 4.601 4.320 0.001 0.000 0.253 218 K C 0.905 177.443 176.600 -0.104 0.000 0.986 218 K CA 2.163 58.448 56.287 -0.003 0.000 0.730 218 K CB -3.279 29.228 32.500 0.011 0.000 1.228 218 K HN 2.659 nan 8.250 nan 0.000 0.483 219 L N 1.031 122.128 121.223 -0.210 0.000 2.270 219 L HA 0.666 5.007 4.340 0.001 0.000 0.286 219 L C 1.802 178.315 176.870 -0.595 0.000 1.059 219 L CA 0.263 54.922 54.840 -0.301 0.000 0.839 219 L CB -0.103 41.812 42.059 -0.241 0.000 1.221 219 L HN 0.562 nan 8.230 nan 0.000 0.431 220 T N 0.808 115.071 114.554 -0.485 0.000 2.569 220 T HA -0.092 4.259 4.350 0.001 0.000 0.263 220 T C 1.033 175.400 174.700 -0.555 0.000 1.074 220 T CA 2.297 64.045 62.100 -0.586 0.000 1.176 220 T CB -0.133 68.611 68.868 -0.208 0.000 0.863 220 T HN 0.807 nan 8.240 nan 0.000 0.410 221 T N 3.190 117.576 114.554 -0.281 0.000 3.253 221 T HA 0.453 4.804 4.350 0.001 0.000 0.391 221 T C -2.711 171.911 174.700 -0.131 0.000 1.527 221 T CA -1.258 60.752 62.100 -0.150 0.000 1.268 221 T CB 0.945 69.774 68.868 -0.066 0.000 1.126 221 T HN 0.135 nan 8.240 nan 0.000 0.620 222 P HA 0.296 nan 4.420 nan 0.000 0.276 222 P C 0.298 177.554 177.300 -0.073 0.000 1.253 222 P CA -0.278 62.743 63.100 -0.131 0.000 0.766 222 P CB 0.350 31.929 31.700 -0.201 0.000 0.845 223 T N 1.723 116.244 114.554 -0.056 0.000 2.748 223 T HA -0.013 4.338 4.350 0.001 0.000 0.304 223 T C 0.970 175.654 174.700 -0.026 0.000 1.041 223 T CA 0.074 62.155 62.100 -0.032 0.000 1.033 223 T CB 0.197 69.079 68.868 0.022 0.000 0.995 223 T HN 0.326 nan 8.240 nan 0.000 0.536 224 Y N 0.312 120.644 120.300 0.052 0.000 2.556 224 Y HA -0.071 4.480 4.550 0.001 0.000 0.290 224 Y C 2.335 178.267 175.900 0.053 0.000 1.149 224 Y CA 0.423 58.558 58.100 0.058 0.000 1.329 224 Y CB -0.269 38.224 38.460 0.056 0.000 0.975 224 Y HN 0.856 nan 8.280 nan 0.000 0.561 225 G N 0.183 109.083 108.800 0.167 0.000 2.654 225 G HA2 -0.180 3.780 3.960 0.001 0.000 0.215 225 G HA3 -0.180 3.780 3.960 0.001 0.000 0.215 225 G C 0.052 175.008 174.900 0.094 0.000 1.310 225 G CA 0.347 45.514 45.100 0.112 0.000 0.866 225 G HN 0.308 nan 8.290 nan 0.000 0.558 226 D N 0.948 121.377 120.400 0.048 0.000 2.598 226 D HA 0.233 4.874 4.640 0.001 0.000 0.231 226 D C 0.470 176.803 176.300 0.055 0.000 1.127 226 D CA 0.065 54.095 54.000 0.050 0.000 1.126 226 D CB 1.137 41.933 40.800 -0.006 0.000 1.124 226 D HN 0.232 nan 8.370 nan 0.000 0.485 227 L N 0.537 121.817 121.223 0.095 0.000 1.264 227 L HA -0.014 4.327 4.340 0.001 0.000 0.095 227 L C 0.857 177.789 176.870 0.104 0.000 1.410 227 L CA 0.126 55.019 54.840 0.088 0.000 1.187 227 L CB -0.474 41.650 42.059 0.108 0.000 2.452 227 L HN -0.022 nan 8.230 nan 0.000 0.464 228 N N 0.112 118.894 118.700 0.135 0.000 2.223 228 N HA -0.182 4.558 4.740 0.001 0.000 0.185 228 N C 1.588 177.156 175.510 0.097 0.000 1.016 228 N CA 1.707 54.827 53.050 0.117 0.000 0.863 228 N CB -0.438 38.127 38.487 0.130 0.000 0.983 228 N HN 0.608 nan 8.380 nan 0.000 0.429 229 H N -0.116 118.954 119.070 -0.001 0.000 2.387 229 H HA -0.106 4.451 4.556 0.002 0.000 0.299 229 H C 1.658 176.930 175.328 -0.093 0.000 1.099 229 H CA 0.841 56.864 56.048 -0.042 0.000 1.315 229 H CB 0.216 29.953 29.762 -0.042 0.000 1.380 229 H HN 0.032 nan 8.280 nan 0.000 0.513 230 L N 0.685 121.806 121.223 -0.169 0.000 2.017 230 L HA -0.169 4.171 4.340 0.001 0.000 0.208 230 L C 2.839 179.565 176.870 -0.239 0.000 1.073 230 L CA 1.150 55.838 54.840 -0.254 0.000 0.745 230 L CB -1.009 40.989 42.059 -0.101 0.000 0.894 230 L HN 0.173 nan 8.230 nan 0.000 0.432 231 V N -0.938 118.915 119.914 -0.103 0.000 2.295 231 V HA -0.263 3.858 4.120 0.001 0.000 0.246 231 V C 2.668 178.692 176.094 -0.118 0.000 1.049 231 V CA 1.657 63.917 62.300 -0.067 0.000 1.024 231 V CB -1.649 30.176 31.823 0.004 0.000 0.648 231 V HN 0.625 nan 8.190 nan 0.000 0.447 232 S N 2.137 117.779 115.700 -0.098 0.000 2.372 232 S HA -0.287 4.184 4.470 0.001 0.000 0.227 232 S C 2.126 176.629 174.600 -0.163 0.000 1.044 232 S CA 1.972 60.127 58.200 -0.075 0.000 1.050 232 S CB -0.912 62.281 63.200 -0.012 0.000 0.901 232 S HN 0.754 nan 8.310 nan 0.000 0.447 233 A N 1.473 124.085 122.820 -0.347 0.000 1.877 233 A HA -0.044 4.276 4.320 0.001 0.000 0.216 233 A C 2.514 179.822 177.584 -0.460 0.000 1.186 233 A CA 2.254 53.965 52.037 -0.543 0.000 0.620 233 A CB -1.797 16.602 19.000 -1.002 0.000 0.822 233 A HN 0.586 nan 8.150 nan 0.000 0.443 234 T N -0.329 113.984 114.554 -0.402 0.000 2.684 234 T HA -0.175 4.176 4.350 0.001 0.000 0.267 234 T C 1.963 176.688 174.700 0.042 0.000 1.036 234 T CA 1.858 63.934 62.100 -0.041 0.000 1.148 234 T CB -0.288 68.588 68.868 0.013 0.000 0.863 234 T HN 0.427 nan 8.240 nan 0.000 0.436 235 M N 0.889 120.445 119.600 -0.073 0.000 2.086 235 M HA -0.132 4.349 4.480 0.001 0.000 0.261 235 M C 2.676 178.983 176.300 0.011 0.000 1.067 235 M CA 1.652 56.859 55.300 -0.156 0.000 1.116 235 M CB -0.339 32.031 32.600 -0.383 0.000 1.348 235 M HN 0.350 nan 8.290 nan 0.000 0.407 236 S N 0.192 115.923 115.700 0.052 0.000 2.359 236 S HA -0.168 4.303 4.470 0.001 0.000 0.222 236 S C 1.987 176.667 174.600 0.132 0.000 1.038 236 S CA 1.877 60.113 58.200 0.059 0.000 1.051 236 S CB -1.150 62.060 63.200 0.016 0.000 0.944 236 S HN 0.573 nan 8.310 nan 0.000 0.433 237 G N 0.244 109.171 108.800 0.211 0.000 2.448 237 G HA2 -0.069 3.892 3.960 0.001 0.000 0.219 237 G HA3 -0.069 3.892 3.960 0.001 0.000 0.219 237 G C 1.482 176.459 174.900 0.129 0.000 1.127 237 G CA 0.871 46.093 45.100 0.202 0.000 0.766 237 G HN 0.503 nan 8.290 nan 0.000 0.552 238 V N 1.463 121.450 119.914 0.122 0.000 2.453 238 V HA -0.117 4.004 4.120 0.001 0.000 0.247 238 V C 3.157 179.322 176.094 0.117 0.000 1.048 238 V CA 2.315 64.666 62.300 0.084 0.000 1.049 238 V CB -0.333 31.482 31.823 -0.013 0.000 0.672 238 V HN 0.622 nan 8.190 nan 0.000 0.457 239 T N -2.813 111.826 114.554 0.141 0.000 3.067 239 T HA -0.115 4.236 4.350 0.001 0.000 0.257 239 T C 1.906 176.734 174.700 0.214 0.000 1.105 239 T CA 1.104 63.325 62.100 0.202 0.000 1.104 239 T CB -0.449 68.555 68.868 0.227 0.000 0.925 239 T HN 0.601 nan 8.240 nan 0.000 0.498 240 T N 1.374 116.051 114.554 0.206 0.000 2.635 240 T HA -0.341 4.009 4.350 0.001 0.000 0.265 240 T C 2.012 176.880 174.700 0.280 0.000 1.058 240 T CA 1.884 64.157 62.100 0.290 0.000 1.162 240 T CB -1.793 67.213 68.868 0.230 0.000 0.859 240 T HN 0.541 nan 8.240 nan 0.000 0.449 241 C N 1.171 120.586 119.300 0.191 0.000 2.448 241 C HA 0.277 4.738 4.460 0.001 0.000 0.280 241 C C 2.833 177.908 174.990 0.141 0.000 1.398 241 C CA -0.025 59.087 59.018 0.157 0.000 1.774 241 C CB -1.663 26.140 27.740 0.106 0.000 1.888 241 C HN 0.561 nan 8.230 nan 0.000 0.519 242 L N 0.791 122.105 121.223 0.151 0.000 2.156 242 L HA -0.081 4.260 4.340 0.001 0.000 0.208 242 L C 1.913 178.845 176.870 0.103 0.000 1.095 242 L CA 1.353 56.261 54.840 0.114 0.000 0.770 242 L CB -0.376 41.761 42.059 0.131 0.000 0.914 242 L HN 0.484 nan 8.230 nan 0.000 0.439 243 R N -2.361 118.224 120.500 0.142 0.000 2.816 243 R HA 0.355 4.696 4.340 0.001 0.000 0.382 243 R C -0.189 175.967 176.300 -0.241 0.000 1.140 243 R CA -0.117 56.005 56.100 0.036 0.000 1.050 243 R CB 0.108 30.505 30.300 0.161 0.000 1.396 243 R HN 0.069 nan 8.270 nan 0.000 0.583 244 F N -0.093 119.900 119.950 0.071 0.000 1.837 244 F HA 0.313 4.841 4.527 0.001 0.000 0.229 244 F C -1.222 174.580 175.800 0.003 0.000 1.246 244 F CA -0.547 57.460 58.000 0.012 0.000 1.302 244 F CB 0.019 39.011 39.000 -0.013 0.000 1.918 244 F HN -0.018 nan 8.300 nan 0.000 0.224 245 P HA 0.301 nan 4.420 nan 0.000 0.239 245 P C -0.068 177.283 177.300 0.086 0.000 1.215 245 P CA 1.212 64.389 63.100 0.127 0.000 0.654 245 P CB 0.193 31.942 31.700 0.081 0.000 1.146 246 G N -1.885 106.950 108.800 0.058 0.000 3.198 246 G HA2 0.034 3.994 3.960 0.001 0.000 0.228 246 G HA3 0.034 3.994 3.960 0.001 0.000 0.228 246 G C -0.529 174.387 174.900 0.027 0.000 1.499 246 G CA -0.393 44.730 45.100 0.038 0.000 1.104 246 G HN 0.348 nan 8.290 nan 0.000 0.563 247 Q N 0.499 120.317 119.800 0.029 0.000 3.966 247 Q HA 0.222 4.563 4.340 0.001 0.000 0.198 247 Q C -1.054 174.958 176.000 0.021 0.000 0.872 247 Q CA -0.302 55.513 55.803 0.020 0.000 0.767 247 Q CB 1.635 30.383 28.738 0.017 0.000 1.516 247 Q HN 0.405 nan 8.270 nan 0.000 0.434 248 L N 3.207 124.441 121.223 0.017 0.000 2.283 248 L HA 0.228 4.569 4.340 0.001 0.000 0.281 248 L C 0.412 177.294 176.870 0.021 0.000 1.033 248 L CA 0.343 55.194 54.840 0.019 0.000 0.848 248 L CB 0.355 42.422 42.059 0.012 0.000 1.226 248 L HN 0.665 nan 8.230 nan 0.000 0.429 249 N N 3.264 121.982 118.700 0.031 0.000 1.704 249 N HA -0.258 4.483 4.740 0.001 0.000 0.208 249 N C 0.099 175.628 175.510 0.032 0.000 1.385 249 N CA 1.653 54.721 53.050 0.029 0.000 4.019 249 N CB -1.099 37.397 38.487 0.016 0.000 0.691 249 N HN 1.257 nan 8.380 nan 0.000 0.308 250 A N -0.016 122.821 122.820 0.027 0.000 1.616 250 A HA -0.076 4.245 4.320 0.001 0.000 0.208 250 A C 0.436 178.031 177.584 0.017 0.000 1.293 250 A CA 1.071 53.124 52.037 0.028 0.000 0.657 250 A CB -1.758 17.271 19.000 0.048 0.000 1.154 250 A HN 0.731 nan 8.150 nan 0.000 0.202 251 D N 0.990 121.394 120.400 0.008 0.000 2.348 251 D HA 0.139 4.780 4.640 0.001 0.000 0.216 251 D C 1.708 178.006 176.300 -0.003 0.000 0.970 251 D CA 1.422 55.419 54.000 -0.004 0.000 0.889 251 D CB -0.007 40.789 40.800 -0.006 0.000 0.912 251 D HN 1.833 nan 8.370 nan 0.000 0.524 252 L N -0.800 120.433 121.223 0.017 0.000 5.121 252 L HA -0.413 3.928 4.340 0.001 0.000 0.402 252 L C 1.289 178.169 176.870 0.017 0.000 0.826 252 L CA 2.585 57.444 54.840 0.031 0.000 2.021 252 L CB -1.196 40.877 42.059 0.025 0.000 1.272 252 L HN 0.125 nan 8.230 nan 0.000 0.617 253 R N 0.064 120.564 120.500 0.001 0.000 2.093 253 R HA 0.012 4.352 4.340 0.001 0.000 0.224 253 R C 2.156 178.456 176.300 0.001 0.000 1.101 253 R CA 1.818 57.916 56.100 -0.003 0.000 0.979 253 R CB -0.207 30.088 30.300 -0.008 0.000 0.877 253 R HN 0.588 nan 8.270 nan 0.000 0.441 254 K N 0.445 120.846 120.400 0.002 0.000 2.026 254 K HA -0.086 4.235 4.320 0.001 0.000 0.208 254 K C 1.911 178.513 176.600 0.004 0.000 1.048 254 K CA 1.384 57.671 56.287 0.001 0.000 0.929 254 K CB -0.328 32.172 32.500 0.001 0.000 0.713 254 K HN 0.131 nan 8.250 nan 0.000 0.439 255 L N 0.799 122.031 121.223 0.016 0.000 2.013 255 L HA -0.256 4.085 4.340 0.001 0.000 0.212 255 L C 2.130 179.019 176.870 0.033 0.000 1.073 255 L CA 2.264 57.117 54.840 0.022 0.000 0.753 255 L CB -0.966 41.130 42.059 0.061 0.000 0.890 255 L HN 0.253 nan 8.230 nan 0.000 0.432 256 A N -0.626 122.218 122.820 0.040 0.000 1.835 256 A HA -0.210 4.111 4.320 0.001 0.000 0.215 256 A C 2.315 179.914 177.584 0.025 0.000 1.199 256 A CA 1.975 54.038 52.037 0.044 0.000 0.615 256 A CB -1.290 17.709 19.000 -0.001 0.000 0.838 256 A HN 0.298 nan 8.150 nan 0.000 0.444 257 V N 0.557 120.473 119.914 0.002 0.000 2.546 257 V HA -0.305 3.815 4.120 0.001 0.000 0.254 257 V C 1.951 178.035 176.094 -0.017 0.000 1.076 257 V CA 2.675 64.969 62.300 -0.010 0.000 1.087 257 V CB -0.915 30.901 31.823 -0.012 0.000 0.674 257 V HN 0.712 nan 8.190 nan 0.000 0.470 258 N N -1.928 116.764 118.700 -0.015 0.000 2.405 258 N HA 0.070 4.811 4.740 0.001 0.000 0.175 258 N C 1.561 177.049 175.510 -0.037 0.000 1.051 258 N CA 0.564 53.596 53.050 -0.030 0.000 0.899 258 N CB 0.082 38.548 38.487 -0.035 0.000 1.000 258 N HN 0.268 nan 8.380 nan 0.000 0.451 259 M N 0.320 119.911 119.600 -0.015 0.000 2.545 259 M HA 0.163 4.644 4.480 0.001 0.000 0.264 259 M C 0.044 176.397 176.300 0.089 0.000 1.155 259 M CA 0.656 55.944 55.300 -0.019 0.000 1.162 259 M CB 0.096 32.628 32.600 -0.113 0.000 1.330 259 M HN -0.148 nan 8.290 nan 0.000 0.479 260 V N 0.515 120.490 119.914 0.102 0.000 2.311 260 V HA 0.277 4.398 4.120 0.001 0.000 0.275 260 V C -1.565 174.508 176.094 -0.035 0.000 1.022 260 V CA -1.237 61.121 62.300 0.097 0.000 0.830 260 V CB 0.416 32.305 31.823 0.110 0.000 1.012 260 V HN 0.094 nan 8.190 nan 0.000 0.452 261 P HA 0.078 nan 4.420 nan 0.000 0.218 261 P C -0.029 176.814 177.300 -0.761 0.000 1.152 261 P CA 0.898 63.714 63.100 -0.473 0.000 0.826 261 P CB 0.235 31.611 31.700 -0.541 0.000 0.790 262 F N -0.987 118.955 119.950 -0.013 0.000 2.540 262 F HA 0.388 4.916 4.527 0.001 0.000 0.317 262 F C -1.540 174.255 175.800 -0.009 0.000 1.104 262 F CA -2.635 55.347 58.000 -0.030 0.000 0.913 262 F CB 1.389 40.332 39.000 -0.096 0.000 1.170 262 F HN -0.322 nan 8.300 nan 0.000 0.450 263 P HA -0.111 nan 4.420 nan 0.000 0.216 263 P C 1.319 178.703 177.300 0.140 0.000 1.150 263 P CA 1.589 64.764 63.100 0.126 0.000 0.837 263 P CB 0.209 31.969 31.700 0.101 0.000 0.786 264 R N -0.305 120.235 120.500 0.067 0.000 2.062 264 R HA 0.033 4.373 4.340 0.001 0.000 0.229 264 R C 1.210 177.360 176.300 -0.250 0.000 1.128 264 R CA 0.791 56.854 56.100 -0.061 0.000 0.960 264 R CB -0.933 29.314 30.300 -0.088 0.000 0.855 264 R HN 0.217 nan 8.270 nan 0.000 0.432 265 L N 2.624 123.769 121.223 -0.129 0.000 2.511 265 L HA 0.124 4.465 4.340 0.001 0.000 0.239 265 L C -0.204 176.654 176.870 -0.019 0.000 1.400 265 L CA -0.140 54.641 54.840 -0.099 0.000 1.226 265 L CB -0.749 41.242 42.059 -0.112 0.000 1.475 265 L HN 0.273 nan 8.230 nan 0.000 0.428 266 H N -1.855 117.044 119.070 -0.285 0.000 2.704 266 H HA 0.336 4.892 4.556 0.001 0.000 0.315 266 H C -0.665 173.981 175.328 -1.136 0.000 1.117 266 H CA -0.681 54.945 56.048 -0.703 0.000 1.129 266 H CB -0.771 28.512 29.762 -0.799 0.000 1.439 266 H HN 0.246 nan 8.280 nan 0.000 0.528 267 F N 1.532 121.425 119.950 -0.095 0.000 2.332 267 F HA 0.338 4.866 4.527 0.001 0.000 0.368 267 F C -0.379 175.491 175.800 0.116 0.000 1.110 267 F CA -0.977 57.003 58.000 -0.034 0.000 1.087 267 F CB 0.519 39.671 39.000 0.253 0.000 1.235 267 F HN 0.110 nan 8.300 nan 0.000 0.470 268 F N 3.826 123.824 119.950 0.079 0.000 2.408 268 F HA 0.501 5.029 4.527 0.001 0.000 0.344 268 F C 0.281 176.143 175.800 0.103 0.000 1.112 268 F CA -1.154 56.846 58.000 0.000 0.000 1.096 268 F CB 1.311 40.168 39.000 -0.239 0.000 1.129 268 F HN 0.189 nan 8.300 nan 0.000 0.486 269 M N 5.072 124.868 119.600 0.326 0.000 2.113 269 M HA 0.352 4.833 4.480 0.001 0.000 0.352 269 M C -2.698 173.802 176.300 0.333 0.000 1.170 269 M CA -1.879 53.613 55.300 0.320 0.000 1.053 269 M CB 0.667 33.465 32.600 0.329 0.000 1.601 269 M HN 0.151 nan 8.290 nan 0.000 0.459 270 P HA 0.616 nan 4.420 nan 0.000 0.278 270 P C -0.330 177.236 177.300 0.444 0.000 1.266 270 P CA -0.353 62.956 63.100 0.348 0.000 0.807 270 P CB 1.094 33.007 31.700 0.355 0.000 1.094 271 G N -0.687 108.391 108.800 0.463 0.000 2.720 271 G HA2 0.567 4.527 3.960 0.001 0.000 0.295 271 G HA3 0.567 4.527 3.960 0.001 0.000 0.295 271 G C -2.303 172.754 174.900 0.263 0.000 1.437 271 G CA -0.256 45.047 45.100 0.337 0.000 0.886 271 G HN 0.338 nan 8.290 nan 0.000 0.509 272 F N 0.715 120.672 119.950 0.012 0.000 2.579 272 F HA 0.730 5.258 4.527 0.002 0.000 0.324 272 F C 1.042 176.796 175.800 -0.075 0.000 1.058 272 F CA 0.101 58.080 58.000 -0.034 0.000 0.944 272 F CB 2.382 41.365 39.000 -0.029 0.000 1.245 272 F HN 0.727 nan 8.300 nan 0.000 0.477 273 A N 2.698 125.245 122.820 -0.456 0.000 2.028 273 A HA 0.355 4.676 4.320 0.001 0.000 0.213 273 A C -2.229 175.347 177.584 -0.014 0.000 1.486 273 A CA 0.260 52.131 52.037 -0.277 0.000 0.597 273 A CB -1.531 17.219 19.000 -0.417 0.000 1.089 273 A HN 0.513 nan 8.150 nan 0.000 0.489 274 P HA 0.584 nan 4.420 nan 0.000 0.282 274 P C -1.352 176.106 177.300 0.263 0.000 1.259 274 P CA -0.224 62.957 63.100 0.135 0.000 0.826 274 P CB 1.046 32.807 31.700 0.102 0.000 1.064 275 L N 0.471 121.793 121.223 0.164 0.000 2.350 275 L HA 0.847 5.187 4.340 0.001 0.000 0.260 275 L C 0.668 177.596 176.870 0.096 0.000 1.015 275 L CA -0.340 54.565 54.840 0.107 0.000 0.821 275 L CB 1.384 43.491 42.059 0.080 0.000 1.370 275 L HN 0.501 nan 8.230 nan 0.000 0.416 276 T N -1.466 113.130 114.554 0.071 0.000 2.604 276 T HA 0.030 4.381 4.350 0.001 0.000 0.122 276 T C -0.338 174.476 174.700 0.190 0.000 2.881 276 T CA 0.178 62.343 62.100 0.108 0.000 1.038 276 T CB -1.079 67.837 68.868 0.081 0.000 2.592 276 T HN 0.847 nan 8.240 nan 0.000 0.235 277 S N -0.475 115.283 115.700 0.098 0.000 4.205 277 S HA 0.679 5.150 4.470 0.001 0.000 0.268 277 S C 0.416 175.010 174.600 -0.010 0.000 1.082 277 S CA -0.856 57.356 58.200 0.020 0.000 1.431 277 S CB 0.494 63.680 63.200 -0.024 0.000 1.370 277 S HN 0.568 nan 8.310 nan 0.000 0.740 278 R N 1.603 122.078 120.500 -0.042 0.000 1.633 278 R HA 0.321 4.662 4.340 0.001 0.000 0.129 278 R C 1.975 178.258 176.300 -0.029 0.000 0.840 278 R CA 1.229 57.302 56.100 -0.044 0.000 1.694 278 R CB -1.385 28.882 30.300 -0.055 0.000 0.620 278 R HN 0.731 nan 8.270 nan 0.000 0.667 279 G N -0.204 108.576 108.800 -0.033 0.000 3.186 279 G HA2 -0.057 3.903 3.960 0.001 0.000 0.214 279 G HA3 -0.057 3.903 3.960 0.001 0.000 0.214 279 G C 0.926 175.803 174.900 -0.039 0.000 1.222 279 G CA 0.421 45.501 45.100 -0.034 0.000 0.921 279 G HN 0.286 nan 8.290 nan 0.000 0.504 280 S N -1.018 114.663 115.700 -0.032 0.000 2.502 280 S HA 0.137 4.608 4.470 0.001 0.000 0.228 280 S C 1.120 175.701 174.600 -0.031 0.000 1.061 280 S CA -0.146 58.033 58.200 -0.036 0.000 0.935 280 S CB 0.039 63.227 63.200 -0.019 0.000 0.809 280 S HN 0.291 nan 8.310 nan 0.000 0.510 281 Q N 1.933 121.735 119.800 0.003 0.000 2.281 281 Q HA 0.234 4.575 4.340 0.001 0.000 0.267 281 Q C -0.217 175.780 176.000 -0.004 0.000 1.053 281 Q CA 0.824 56.644 55.803 0.028 0.000 0.905 281 Q CB 0.795 29.569 28.738 0.060 0.000 1.195 281 Q HN 0.482 nan 8.270 nan 0.000 0.398 282 Q N 2.163 121.946 119.800 -0.028 0.000 1.842 282 Q HA 0.092 4.433 4.340 0.001 0.000 0.180 282 Q C 0.153 176.136 176.000 -0.027 0.000 0.751 282 Q CA -0.055 55.715 55.803 -0.056 0.000 0.861 282 Q CB 0.485 29.145 28.738 -0.129 0.000 1.223 282 Q HN 0.707 nan 8.270 nan 0.000 0.401 283 Y N 0.923 121.234 120.300 0.019 0.000 2.196 283 Y HA -0.169 4.382 4.550 0.001 0.000 0.265 283 Y C 2.249 178.160 175.900 0.018 0.000 1.076 283 Y CA 2.008 60.119 58.100 0.019 0.000 1.070 283 Y CB 0.130 38.604 38.460 0.023 0.000 1.009 283 Y HN 0.159 nan 8.280 nan 0.000 0.473 284 R N -0.119 120.518 120.500 0.228 0.000 4.012 284 R HA -0.290 4.050 4.340 0.001 0.000 0.355 284 R C 0.944 177.299 176.300 0.092 0.000 1.225 284 R CA 1.313 57.484 56.100 0.119 0.000 1.149 284 R CB -3.161 27.191 30.300 0.085 0.000 1.603 284 R HN 0.696 nan 8.270 nan 0.000 0.574 285 A N 0.364 123.262 122.820 0.131 0.000 2.268 285 A HA 0.538 4.858 4.320 0.001 0.000 0.221 285 A C 0.888 178.447 177.584 -0.042 0.000 1.287 285 A CA 0.527 52.602 52.037 0.064 0.000 0.902 285 A CB -0.469 18.614 19.000 0.138 0.000 0.877 285 A HN 0.977 nan 8.150 nan 0.000 0.487 286 L N -2.096 119.099 121.223 -0.045 0.000 2.367 286 L HA 0.428 4.768 4.340 0.001 0.000 0.275 286 L C 1.191 178.045 176.870 -0.027 0.000 1.129 286 L CA 0.050 54.851 54.840 -0.066 0.000 0.839 286 L CB 0.420 42.453 42.059 -0.042 0.000 1.133 286 L HN 0.116 nan 8.230 nan 0.000 0.453 287 T N 0.396 114.934 114.554 -0.026 0.000 2.954 287 T HA 0.272 4.623 4.350 0.001 0.000 0.252 287 T C 1.017 175.722 174.700 0.008 0.000 0.983 287 T CA 0.757 62.852 62.100 -0.010 0.000 0.941 287 T CB 0.229 69.085 68.868 -0.019 0.000 1.141 287 T HN 0.522 nan 8.240 nan 0.000 0.500 288 V N -0.149 119.786 119.914 0.035 0.000 0.530 288 V HA -0.202 3.919 4.120 0.001 0.000 0.092 288 V C -1.685 174.456 176.094 0.078 0.000 2.175 288 V CA 0.912 63.259 62.300 0.078 0.000 3.543 288 V CB -2.254 29.579 31.823 0.016 0.000 0.834 288 V HN 0.194 nan 8.190 nan 0.000 0.871 289 P HA -0.155 nan 4.420 nan 0.000 0.212 289 P C 1.398 178.712 177.300 0.023 0.000 1.178 289 P CA 2.345 65.461 63.100 0.026 0.000 0.915 289 P CB -0.013 31.689 31.700 0.003 0.000 0.788 290 E N -1.293 118.905 120.200 -0.002 0.000 2.333 290 E HA -0.145 4.206 4.350 0.001 0.000 0.198 290 E C 1.850 178.435 176.600 -0.025 0.000 1.007 290 E CA 0.393 56.777 56.400 -0.027 0.000 0.845 290 E CB -0.599 29.064 29.700 -0.061 0.000 0.766 290 E HN 0.121 nan 8.360 nan 0.000 0.507 291 L N -0.469 120.759 121.223 0.008 0.000 2.209 291 L HA -0.067 4.273 4.340 0.001 0.000 0.207 291 L C 1.976 178.854 176.870 0.014 0.000 1.094 291 L CA 0.994 55.836 54.840 0.004 0.000 0.790 291 L CB 0.049 42.141 42.059 0.054 0.000 0.932 291 L HN 0.111 nan 8.230 nan 0.000 0.447 292 T N -1.452 113.164 114.554 0.103 0.000 2.735 292 T HA -0.206 4.145 4.350 0.001 0.000 0.256 292 T C 1.697 176.484 174.700 0.145 0.000 1.042 292 T CA 1.193 63.393 62.100 0.166 0.000 1.147 292 T CB -0.206 68.807 68.868 0.241 0.000 0.865 292 T HN 0.210 nan 8.240 nan 0.000 0.421 293 Q N 0.772 120.624 119.800 0.088 0.000 2.173 293 Q HA -0.250 4.091 4.340 0.001 0.000 0.208 293 Q C 2.286 178.304 176.000 0.030 0.000 0.989 293 Q CA 1.913 57.748 55.803 0.053 0.000 0.872 293 Q CB -0.171 28.573 28.738 0.011 0.000 0.909 293 Q HN 0.592 nan 8.270 nan 0.000 0.420 294 Q N -0.620 119.176 119.800 -0.007 0.000 2.137 294 Q HA -0.078 4.263 4.340 0.001 0.000 0.198 294 Q C 1.857 177.802 176.000 -0.092 0.000 0.960 294 Q CA 1.337 57.114 55.803 -0.043 0.000 0.847 294 Q CB -0.100 28.605 28.738 -0.055 0.000 0.915 294 Q HN 0.536 nan 8.270 nan 0.000 0.448 295 M N -1.140 118.367 119.600 -0.155 0.000 2.562 295 M HA 0.018 4.498 4.480 0.001 0.000 0.257 295 M C 0.153 176.116 176.300 -0.561 0.000 1.099 295 M CA 1.251 56.356 55.300 -0.325 0.000 1.099 295 M CB 0.185 32.535 32.600 -0.417 0.000 1.427 295 M HN 0.273 nan 8.290 nan 0.000 0.489 296 F N 0.193 119.960 119.950 -0.305 0.000 2.704 296 F HA 0.217 4.745 4.527 0.001 0.000 0.304 296 F C 0.502 176.155 175.800 -0.245 0.000 1.094 296 F CA -0.716 57.058 58.000 -0.377 0.000 1.275 296 F CB 0.412 39.270 39.000 -0.237 0.000 1.073 296 F HN 0.086 nan 8.300 nan 0.000 0.586 297 D N 0.535 120.930 120.400 -0.008 0.000 2.389 297 D HA 0.131 4.772 4.640 0.001 0.000 0.247 297 D C 1.416 177.704 176.300 -0.020 0.000 1.128 297 D CA 0.829 54.822 54.000 -0.012 0.000 0.884 297 D CB 1.661 42.452 40.800 -0.016 0.000 1.194 297 D HN 0.295 nan 8.370 nan 0.000 0.441 298 S N 4.109 119.806 115.700 -0.006 0.000 2.370 298 S HA -0.218 4.253 4.470 0.001 0.000 0.226 298 S C 1.693 176.306 174.600 0.023 0.000 1.033 298 S CA 1.212 59.419 58.200 0.011 0.000 1.011 298 S CB -0.369 62.831 63.200 0.001 0.000 0.852 298 S HN 0.598 nan 8.310 nan 0.000 0.457 299 K N 0.458 120.868 120.400 0.017 0.000 2.520 299 K HA -0.079 4.242 4.320 0.001 0.000 0.198 299 K C 0.520 177.140 176.600 0.033 0.000 1.045 299 K CA 0.746 57.050 56.287 0.028 0.000 0.934 299 K CB -0.059 32.453 32.500 0.020 0.000 0.766 299 K HN 0.374 nan 8.250 nan 0.000 0.483 300 N N -0.247 118.466 118.700 0.022 0.000 2.305 300 N HA 0.067 4.808 4.740 0.001 0.000 0.248 300 N C -0.623 174.911 175.510 0.039 0.000 1.290 300 N CA -0.039 53.027 53.050 0.025 0.000 0.873 300 N CB 0.550 39.033 38.487 -0.007 0.000 1.261 300 N HN -0.019 nan 8.380 nan 0.000 0.504 301 M N 0.235 119.872 119.600 0.063 0.000 2.197 301 M HA 0.267 4.747 4.480 0.001 0.000 0.305 301 M C 1.374 177.762 176.300 0.148 0.000 1.162 301 M CA 0.009 55.385 55.300 0.127 0.000 1.099 301 M CB 0.503 33.190 32.600 0.144 0.000 1.430 301 M HN -0.092 nan 8.290 nan 0.000 0.481 302 M N 0.200 119.916 119.600 0.193 0.000 2.371 302 M HA 0.281 4.761 4.480 0.001 0.000 0.246 302 M C -0.060 176.331 176.300 0.152 0.000 1.103 302 M CA 0.043 55.446 55.300 0.171 0.000 1.010 302 M CB -0.737 31.984 32.600 0.202 0.000 1.457 302 M HN 0.623 nan 8.290 nan 0.000 0.486 303 A N 0.448 123.356 122.820 0.146 0.000 2.342 303 A HA 0.801 5.122 4.320 0.001 0.000 0.323 303 A C 0.027 177.655 177.584 0.074 0.000 1.125 303 A CA -0.647 51.448 52.037 0.097 0.000 0.785 303 A CB 0.746 19.803 19.000 0.094 0.000 1.221 303 A HN 0.290 nan 8.150 nan 0.000 0.463 304 A N 1.598 124.445 122.820 0.044 0.000 2.906 304 A HA 0.494 4.814 4.320 0.001 0.000 0.289 304 A C 0.072 177.674 177.584 0.031 0.000 1.675 304 A CA 0.165 52.228 52.037 0.043 0.000 1.372 304 A CB -1.637 17.383 19.000 0.034 0.000 1.091 304 A HN 1.679 nan 8.150 nan 0.000 0.579 305 C N 0.429 119.760 119.300 0.052 0.000 3.146 305 C HA 0.420 4.881 4.460 0.001 0.000 0.405 305 C C -0.820 174.219 174.990 0.081 0.000 1.012 305 C CA -1.279 57.777 59.018 0.063 0.000 1.217 305 C CB 0.696 28.457 27.740 0.035 0.000 1.599 305 C HN 0.707 nan 8.230 nan 0.000 0.567 306 D N 4.032 124.503 120.400 0.119 0.000 2.336 306 D HA 0.315 4.956 4.640 0.001 0.000 0.249 306 D C -1.797 174.497 176.300 -0.010 0.000 1.213 306 D CA -1.551 52.482 54.000 0.056 0.000 0.870 306 D CB 1.236 42.069 40.800 0.054 0.000 1.076 306 D HN 0.467 nan 8.370 nan 0.000 0.483 307 P HA 0.135 nan 4.420 nan 0.000 0.231 307 P C 0.026 177.241 177.300 -0.141 0.000 1.756 307 P CA -0.048 62.972 63.100 -0.133 0.000 0.990 307 P CB 0.534 32.143 31.700 -0.151 0.000 1.973 308 R N 0.034 120.404 120.500 -0.217 0.000 2.196 308 R HA 0.138 4.478 4.340 0.001 0.000 0.186 308 R C 0.843 177.118 176.300 -0.043 0.000 1.163 308 R CA 0.548 56.510 56.100 -0.231 0.000 1.146 308 R CB -0.493 29.506 30.300 -0.501 0.000 1.113 308 R HN 0.399 nan 8.270 nan 0.000 0.513 309 H N 0.913 120.045 119.070 0.103 0.000 3.191 309 H HA 0.410 4.966 4.556 0.001 0.000 0.261 309 H C 0.266 175.614 175.328 0.033 0.000 1.013 309 H CA 0.838 56.927 56.048 0.069 0.000 1.457 309 H CB -0.624 29.161 29.762 0.038 0.000 1.535 309 H HN 0.545 nan 8.280 nan 0.000 0.518 310 G N 3.000 111.856 108.800 0.093 0.000 3.209 310 G HA2 -0.140 3.821 3.960 0.001 0.000 0.686 310 G HA3 -0.140 3.821 3.960 0.001 0.000 0.686 310 G C -0.580 174.298 174.900 -0.037 0.000 1.065 310 G CA -1.078 44.040 45.100 0.030 0.000 0.812 310 G HN 0.644 nan 8.290 nan 0.000 0.573 311 R N 0.438 120.921 120.500 -0.030 0.000 2.549 311 R HA 0.670 5.010 4.340 0.001 0.000 0.259 311 R C -0.355 175.918 176.300 -0.044 0.000 1.095 311 R CA -0.666 55.416 56.100 -0.030 0.000 1.148 311 R CB 0.587 30.884 30.300 -0.005 0.000 1.181 311 R HN 0.516 nan 8.270 nan 0.000 0.571 312 Y N 0.633 121.010 120.300 0.129 0.000 2.313 312 Y HA 0.063 4.614 4.550 0.001 0.000 0.332 312 Y C 0.853 176.848 175.900 0.158 0.000 1.071 312 Y CA -0.412 57.832 58.100 0.239 0.000 1.169 312 Y CB 0.800 39.557 38.460 0.496 0.000 1.192 312 Y HN 0.362 nan 8.280 nan 0.000 0.487 313 L N 1.778 123.150 121.223 0.249 0.000 1.982 313 L HA 0.020 4.361 4.340 0.001 0.000 0.206 313 L C 1.006 177.920 176.870 0.072 0.000 1.078 313 L CA 1.528 56.424 54.840 0.094 0.000 0.749 313 L CB -0.710 41.440 42.059 0.152 0.000 0.894 313 L HN 0.792 nan 8.230 nan 0.000 0.436 314 T N -3.491 111.135 114.554 0.120 0.000 2.900 314 T HA 0.682 5.033 4.350 0.001 0.000 0.303 314 T C -0.856 173.866 174.700 0.036 0.000 1.142 314 T CA -0.692 61.428 62.100 0.033 0.000 1.007 314 T CB 2.185 71.035 68.868 -0.030 0.000 1.156 314 T HN -0.180 nan 8.240 nan 0.000 0.490 315 V N 1.078 120.969 119.914 -0.038 0.000 2.686 315 V HA 0.801 4.922 4.120 0.001 0.000 0.306 315 V C -0.308 175.695 176.094 -0.152 0.000 1.065 315 V CA -0.850 61.397 62.300 -0.089 0.000 0.894 315 V CB 1.807 33.667 31.823 0.062 0.000 1.004 315 V HN 1.383 nan 8.190 nan 0.000 0.424 316 A N 3.918 126.586 122.820 -0.253 0.000 2.288 316 A HA 0.967 5.288 4.320 0.001 0.000 0.320 316 A C -0.161 177.313 177.584 -0.184 0.000 1.217 316 A CA -0.131 51.792 52.037 -0.189 0.000 0.840 316 A CB 1.278 20.158 19.000 -0.201 0.000 1.179 316 A HN 1.463 nan 8.150 nan 0.000 0.504 317 A N 1.585 124.362 122.820 -0.072 0.000 2.374 317 A HA 0.711 5.032 4.320 0.001 0.000 0.305 317 A C -1.035 176.543 177.584 -0.011 0.000 1.053 317 A CA -0.466 51.529 52.037 -0.070 0.000 0.726 317 A CB 1.622 20.613 19.000 -0.014 0.000 1.229 317 A HN 2.091 nan 8.150 nan 0.000 0.431 318 V N 3.860 123.710 119.914 -0.106 0.000 2.488 318 V HA 0.711 4.832 4.120 0.001 0.000 0.293 318 V C -1.382 174.647 176.094 -0.108 0.000 1.027 318 V CA -0.615 61.680 62.300 -0.008 0.000 0.862 318 V CB 0.375 32.201 31.823 0.005 0.000 1.008 318 V HN 0.727 nan 8.190 nan 0.000 0.428 319 F N 4.991 124.893 119.950 -0.080 0.000 2.352 319 F HA 0.780 5.308 4.527 0.001 0.000 0.304 319 F C 0.706 176.444 175.800 -0.105 0.000 1.215 319 F CA -0.468 57.472 58.000 -0.101 0.000 1.121 319 F CB 0.761 39.712 39.000 -0.080 0.000 1.329 319 F HN 0.480 nan 8.300 nan 0.000 0.528 320 R N -0.150 120.405 120.500 0.092 0.000 2.523 320 R HA 0.543 4.884 4.340 0.001 0.000 0.278 320 R C -1.193 175.102 176.300 -0.009 0.000 1.150 320 R CA -0.151 55.944 56.100 -0.009 0.000 0.987 320 R CB 1.592 31.856 30.300 -0.060 0.000 1.232 320 R HN 1.010 nan 8.270 nan 0.000 0.424 321 G N 0.694 109.472 108.800 -0.036 0.000 2.841 321 G HA2 0.249 4.210 3.960 0.001 0.000 0.684 321 G HA3 0.249 4.210 3.960 0.001 0.000 0.684 321 G C -0.868 174.013 174.900 -0.032 0.000 1.273 321 G CA -0.562 44.517 45.100 -0.036 0.000 0.811 321 G HN 0.753 nan 8.290 nan 0.000 0.631 322 R N 2.071 122.548 120.500 -0.039 0.000 2.723 322 R HA 0.526 4.867 4.340 0.001 0.000 0.358 322 R C 0.895 177.177 176.300 -0.031 0.000 0.966 322 R CA 1.346 57.424 56.100 -0.037 0.000 1.022 322 R CB -0.495 29.785 30.300 -0.033 0.000 0.945 322 R HN 2.170 nan 8.270 nan 0.000 0.420 323 M N 0.594 120.171 119.600 -0.040 0.000 2.520 323 M HA 0.425 4.906 4.480 0.001 0.000 0.283 323 M C -0.571 175.690 176.300 -0.066 0.000 1.237 323 M CA -0.529 54.745 55.300 -0.044 0.000 0.885 323 M CB 2.049 34.629 32.600 -0.034 0.000 1.727 323 M HN 0.334 nan 8.290 nan 0.000 0.468 324 S N 3.156 118.818 115.700 -0.063 0.000 2.808 324 S HA 0.091 4.561 4.470 0.001 0.000 0.342 324 S C 1.142 175.678 174.600 -0.107 0.000 1.154 324 S CA 0.060 58.217 58.200 -0.072 0.000 1.476 324 S CB -0.729 62.437 63.200 -0.058 0.000 1.290 324 S HN 0.672 nan 8.310 nan 0.000 0.582 325 M N 4.480 124.009 119.600 -0.119 0.000 2.557 325 M HA 0.189 4.669 4.480 0.001 0.000 0.259 325 M C 1.820 178.032 176.300 -0.146 0.000 1.086 325 M CA 1.653 56.853 55.300 -0.168 0.000 1.096 325 M CB -1.035 31.472 32.600 -0.154 0.000 1.424 325 M HN 0.399 nan 8.290 nan 0.000 0.488 326 K N 1.368 121.706 120.400 -0.103 0.000 2.074 326 K HA -0.209 4.112 4.320 0.001 0.000 0.209 326 K C 1.915 178.458 176.600 -0.095 0.000 1.048 326 K CA 2.268 58.504 56.287 -0.086 0.000 0.926 326 K CB -1.481 30.981 32.500 -0.063 0.000 0.713 326 K HN 0.802 nan 8.250 nan 0.000 0.444 327 E N -0.166 119.972 120.200 -0.104 0.000 2.152 327 E HA -0.070 4.281 4.350 0.001 0.000 0.192 327 E C 2.022 178.536 176.600 -0.144 0.000 0.983 327 E CA 0.777 57.116 56.400 -0.102 0.000 0.818 327 E CB -0.056 29.594 29.700 -0.082 0.000 0.758 327 E HN 0.304 nan 8.360 nan 0.000 0.467 328 V N 1.721 121.493 119.914 -0.236 0.000 2.255 328 V HA -0.288 3.833 4.120 0.001 0.000 0.247 328 V C 1.827 177.777 176.094 -0.241 0.000 1.051 328 V CA 2.133 64.201 62.300 -0.387 0.000 1.018 328 V CB -0.552 30.848 31.823 -0.704 0.000 0.641 328 V HN 0.296 nan 8.190 nan 0.000 0.445 329 D N 0.343 120.634 120.400 -0.182 0.000 2.127 329 D HA -0.235 4.405 4.640 0.001 0.000 0.190 329 D C 2.210 178.462 176.300 -0.079 0.000 1.000 329 D CA 2.075 56.007 54.000 -0.113 0.000 0.839 329 D CB -0.307 40.439 40.800 -0.091 0.000 0.955 329 D HN 0.814 nan 8.370 nan 0.000 0.446 330 E N -0.107 120.049 120.200 -0.073 0.000 2.358 330 E HA -0.096 4.254 4.350 0.001 0.000 0.195 330 E C 1.854 178.431 176.600 -0.039 0.000 1.010 330 E CA 0.460 56.830 56.400 -0.050 0.000 0.856 330 E CB -0.063 29.610 29.700 -0.045 0.000 0.795 330 E HN 0.152 nan 8.360 nan 0.000 0.504 331 Q N 0.216 119.991 119.800 -0.041 0.000 2.096 331 Q HA 0.015 4.355 4.340 0.001 0.000 0.197 331 Q C 2.147 178.157 176.000 0.016 0.000 0.964 331 Q CA 0.946 56.743 55.803 -0.009 0.000 0.838 331 Q CB -0.067 28.672 28.738 0.002 0.000 0.906 331 Q HN 0.356 nan 8.270 nan 0.000 0.444 332 M N 0.174 119.786 119.600 0.020 0.000 2.117 332 M HA -0.140 4.341 4.480 0.001 0.000 0.262 332 M C 2.222 178.510 176.300 -0.020 0.000 1.065 332 M CA 1.003 56.334 55.300 0.052 0.000 1.114 332 M CB -1.012 31.621 32.600 0.056 0.000 1.361 332 M HN 0.145 nan 8.290 nan 0.000 0.408 333 L N 0.158 121.360 121.223 -0.035 0.000 2.141 333 L HA -0.188 4.153 4.340 0.001 0.000 0.209 333 L C 1.968 178.818 176.870 -0.034 0.000 1.094 333 L CA 1.384 56.197 54.840 -0.045 0.000 0.763 333 L CB -0.525 41.510 42.059 -0.039 0.000 0.908 333 L HN 0.331 nan 8.230 nan 0.000 0.437 334 N N -1.590 117.094 118.700 -0.027 0.000 2.244 334 N HA -0.146 4.595 4.740 0.001 0.000 0.183 334 N C 1.718 177.209 175.510 -0.033 0.000 1.016 334 N CA 0.946 53.983 53.050 -0.023 0.000 0.866 334 N CB 0.096 38.572 38.487 -0.019 0.000 0.980 334 N HN 0.116 nan 8.380 nan 0.000 0.430 335 V N 0.829 120.709 119.914 -0.056 0.000 2.427 335 V HA -0.190 3.931 4.120 0.001 0.000 0.248 335 V C 1.317 177.405 176.094 -0.010 0.000 1.051 335 V CA 1.534 63.760 62.300 -0.123 0.000 1.048 335 V CB -0.410 31.236 31.823 -0.295 0.000 0.666 335 V HN 0.484 nan 8.190 nan 0.000 0.456 336 Q N -0.356 119.459 119.800 0.025 0.000 2.282 336 Q HA 0.114 4.454 4.340 0.001 0.000 0.205 336 Q C 1.102 177.172 176.000 0.116 0.000 0.915 336 Q CA 0.187 56.091 55.803 0.168 0.000 0.949 336 Q CB -0.036 28.648 28.738 -0.090 0.000 1.035 336 Q HN 0.652 nan 8.270 nan 0.000 0.484 337 N N 0.369 119.101 118.700 0.054 0.000 2.804 337 N HA -0.029 4.712 4.740 0.001 0.000 0.250 337 N C 1.709 177.231 175.510 0.019 0.000 1.024 337 N CA 0.696 53.767 53.050 0.035 0.000 0.995 337 N CB 0.123 38.617 38.487 0.012 0.000 1.690 337 N HN 0.116 nan 8.380 nan 0.000 0.515 338 K N 1.347 121.743 120.400 -0.007 0.000 2.519 338 K HA 0.006 4.327 4.320 0.001 0.000 0.196 338 K C 0.739 177.309 176.600 -0.049 0.000 1.041 338 K CA 1.293 57.564 56.287 -0.027 0.000 0.954 338 K CB -0.834 31.641 32.500 -0.042 0.000 0.774 338 K HN 0.424 nan 8.250 nan 0.000 0.480 339 N N -1.348 117.329 118.700 -0.037 0.000 2.217 339 N HA -0.013 4.727 4.740 0.001 0.000 0.239 339 N C 1.280 176.807 175.510 0.027 0.000 1.330 339 N CA 0.456 53.462 53.050 -0.075 0.000 0.838 339 N CB 1.066 39.406 38.487 -0.245 0.000 1.287 339 N HN 0.331 nan 8.380 nan 0.000 0.498 340 S N 0.036 115.791 115.700 0.093 0.000 2.400 340 S HA -0.285 4.186 4.470 0.001 0.000 0.234 340 S C 1.829 176.508 174.600 0.130 0.000 1.049 340 S CA 1.875 60.161 58.200 0.145 0.000 1.039 340 S CB -0.550 62.708 63.200 0.096 0.000 0.856 340 S HN 0.267 nan 8.310 nan 0.000 0.465 341 S N 0.625 116.397 115.700 0.120 0.000 2.399 341 S HA -0.036 4.435 4.470 0.001 0.000 0.231 341 S C 1.107 175.666 174.600 -0.069 0.000 1.022 341 S CA 1.069 59.295 58.200 0.042 0.000 0.983 341 S CB -0.665 62.554 63.200 0.031 0.000 0.803 341 S HN 0.777 nan 8.310 nan 0.000 0.480 342 Y N 0.458 120.649 120.300 -0.183 0.000 2.532 342 Y HA 0.413 4.964 4.550 0.001 0.000 0.283 342 Y C -0.269 175.391 175.900 -0.400 0.000 1.181 342 Y CA -0.659 57.282 58.100 -0.264 0.000 1.256 342 Y CB -0.190 38.090 38.460 -0.301 0.000 1.112 342 Y HN 0.116 nan 8.280 nan 0.000 0.521 343 F N -0.855 119.192 119.950 0.162 0.000 2.477 343 F HA 0.373 4.901 4.527 0.001 0.000 0.335 343 F C 0.013 175.792 175.800 -0.034 0.000 1.130 343 F CA -1.461 56.592 58.000 0.089 0.000 0.948 343 F CB 1.065 40.080 39.000 0.026 0.000 1.154 343 F HN -0.430 nan 8.300 nan 0.000 0.439 344 V N 3.733 123.674 119.914 0.045 0.000 2.644 344 V HA -0.125 3.995 4.120 0.001 0.000 0.305 344 V C 0.931 176.871 176.094 -0.256 0.000 1.053 344 V CA 0.852 63.003 62.300 -0.247 0.000 1.186 344 V CB 0.957 32.383 31.823 -0.663 0.000 0.895 344 V HN 0.811 nan 8.190 nan 0.000 0.490 345 E N 4.957 125.067 120.200 -0.150 0.000 2.268 345 E HA -0.109 4.242 4.350 0.001 0.000 0.195 345 E C 1.476 178.103 176.600 0.046 0.000 0.995 345 E CA 1.459 57.862 56.400 0.004 0.000 0.836 345 E CB 0.057 29.825 29.700 0.115 0.000 0.763 345 E HN 0.925 nan 8.360 nan 0.000 0.491 346 W N -0.487 120.874 121.300 0.101 0.000 3.316 346 W HA 0.370 5.031 4.660 0.001 0.000 0.327 346 W C -0.217 176.348 176.519 0.078 0.000 1.232 346 W CA -0.191 57.209 57.345 0.091 0.000 1.805 346 W CB -0.063 29.464 29.460 0.111 0.000 1.090 346 W HN -0.149 nan 8.180 nan 0.000 0.654 347 I N 3.474 124.003 120.570 -0.068 0.000 2.420 347 I HA 0.269 4.440 4.170 0.001 0.000 0.282 347 I C -2.274 173.817 176.117 -0.043 0.000 1.019 347 I CA -1.983 59.295 61.300 -0.037 0.000 1.130 347 I CB 1.981 39.886 38.000 -0.159 0.000 1.262 347 I HN -0.468 nan 8.210 nan 0.000 0.454 348 P HA 0.206 nan 4.420 nan 0.000 0.274 348 P C -0.585 176.695 177.300 -0.034 0.000 1.237 348 P CA -0.300 62.796 63.100 -0.007 0.000 0.793 348 P CB 0.234 31.942 31.700 0.014 0.000 0.977 349 N N -0.252 118.421 118.700 -0.045 0.000 2.701 349 N HA -0.276 4.464 4.740 0.001 0.000 0.252 349 N C -0.081 175.376 175.510 -0.088 0.000 1.002 349 N CA 1.044 54.055 53.050 -0.066 0.000 0.758 349 N CB -2.392 36.067 38.487 -0.047 0.000 0.937 349 N HN 0.620 nan 8.380 nan 0.000 0.538 350 N N -1.482 117.151 118.700 -0.111 0.000 2.370 350 N HA 0.079 4.820 4.740 0.001 0.000 0.198 350 N C -0.197 175.226 175.510 -0.145 0.000 1.156 350 N CA -0.283 52.700 53.050 -0.111 0.000 0.839 350 N CB 0.690 39.115 38.487 -0.103 0.000 0.989 350 N HN 0.249 nan 8.380 nan 0.000 0.468 351 V N -0.116 119.687 119.914 -0.185 0.000 2.482 351 V HA 0.404 4.525 4.120 0.001 0.000 0.295 351 V C -1.518 174.508 176.094 -0.113 0.000 1.026 351 V CA -0.816 61.375 62.300 -0.182 0.000 0.856 351 V CB 1.590 33.218 31.823 -0.325 0.000 1.001 351 V HN 0.037 nan 8.190 nan 0.000 0.424 352 K N 4.417 124.772 120.400 -0.075 0.000 2.244 352 K HA 0.661 4.982 4.320 0.001 0.000 0.260 352 K C -0.448 176.148 176.600 -0.007 0.000 0.951 352 K CA -0.346 55.916 56.287 -0.043 0.000 0.826 352 K CB 2.148 34.622 32.500 -0.043 0.000 1.108 352 K HN 0.917 nan 8.250 nan 0.000 0.433 353 T N -0.731 113.836 114.554 0.021 0.000 2.863 353 T HA 0.785 5.136 4.350 0.001 0.000 0.285 353 T C -0.486 174.253 174.700 0.065 0.000 1.009 353 T CA -0.975 61.177 62.100 0.087 0.000 0.989 353 T CB 2.024 70.985 68.868 0.155 0.000 1.004 353 T HN 0.521 nan 8.240 nan 0.000 0.455 354 A N 1.812 124.695 122.820 0.105 0.000 2.423 354 A HA 0.932 5.253 4.320 0.001 0.000 0.304 354 A C -0.392 177.263 177.584 0.118 0.000 1.104 354 A CA -0.963 51.116 52.037 0.071 0.000 0.757 354 A CB 1.584 20.613 19.000 0.049 0.000 1.313 354 A HN 1.481 nan 8.150 nan 0.000 0.423 355 V N -1.830 118.113 119.914 0.049 0.000 2.680 355 V HA 0.781 4.902 4.120 0.001 0.000 0.309 355 V C -0.241 175.857 176.094 0.007 0.000 1.052 355 V CA -0.876 61.452 62.300 0.046 0.000 0.908 355 V CB 0.599 32.400 31.823 -0.036 0.000 1.001 355 V HN 1.548 nan 8.190 nan 0.000 0.431 356 C N 4.189 123.481 119.300 -0.013 0.000 2.547 356 C HA 0.759 5.219 4.460 0.001 0.000 0.313 356 C C 0.076 174.990 174.990 -0.126 0.000 1.191 356 C CA -0.110 58.853 59.018 -0.091 0.000 1.474 356 C CB 1.437 29.088 27.740 -0.149 0.000 2.081 356 C HN 1.042 nan 8.230 nan 0.000 0.476 357 D N 3.473 123.784 120.400 -0.149 0.000 2.587 357 D HA 0.227 4.868 4.640 0.001 0.000 0.233 357 D C -0.242 175.960 176.300 -0.164 0.000 1.213 357 D CA 0.084 54.010 54.000 -0.124 0.000 0.827 357 D CB -0.122 40.627 40.800 -0.084 0.000 1.006 357 D HN 0.510 nan 8.370 nan 0.000 0.490 358 I N 0.782 121.194 120.570 -0.265 0.000 2.466 358 I HA 0.303 4.474 4.170 0.001 0.000 0.279 358 I C -2.646 173.343 176.117 -0.213 0.000 1.033 358 I CA -2.406 58.735 61.300 -0.264 0.000 1.123 358 I CB 1.769 39.549 38.000 -0.366 0.000 1.237 358 I HN -0.277 nan 8.210 nan 0.000 0.460 359 P HA 0.150 nan 4.420 nan 0.000 0.267 359 P C -2.477 174.814 177.300 -0.014 0.000 1.201 359 P CA -0.518 62.555 63.100 -0.045 0.000 0.775 359 P CB -0.250 31.441 31.700 -0.015 0.000 0.854 370 G N 0.566 109.400 108.800 0.056 0.000 2.594 370 G HA2 0.206 4.167 3.960 0.001 0.000 0.297 370 G HA3 0.206 4.167 3.960 0.001 0.000 0.297 370 G C -0.051 174.884 174.900 0.059 0.000 1.273 370 G CA 0.303 45.435 45.100 0.055 0.000 0.974 370 G HN 2.341 nan 8.290 nan 0.000 0.552 371 L N -1.877 119.387 121.223 0.067 0.000 3.086 371 L HA -0.060 4.281 4.340 0.001 0.000 0.560 371 L C 2.302 179.199 176.870 0.046 0.000 1.001 371 L CA 2.066 56.948 54.840 0.069 0.000 1.293 371 L CB -2.055 40.062 42.059 0.095 0.000 1.368 371 L HN 2.034 nan 8.230 nan 0.000 0.663 372 K N 2.643 123.067 120.400 0.039 0.000 2.148 372 K HA 0.155 4.476 4.320 0.001 0.000 0.204 372 K C 0.901 177.510 176.600 0.015 0.000 1.050 372 K CA 1.943 58.244 56.287 0.024 0.000 0.942 372 K CB 0.075 32.590 32.500 0.024 0.000 0.724 372 K HN 0.581 nan 8.250 nan 0.000 0.446 373 M N -1.006 118.606 119.600 0.019 0.000 2.619 373 M HA 0.498 4.979 4.480 0.001 0.000 0.297 373 M C -0.553 175.745 176.300 -0.004 0.000 1.229 373 M CA -0.201 55.106 55.300 0.012 0.000 0.860 373 M CB 2.759 35.368 32.600 0.016 0.000 1.741 373 M HN 0.318 nan 8.290 nan 0.000 0.462 374 S N 1.574 117.251 115.700 -0.039 0.000 2.727 374 S HA 1.020 5.491 4.470 0.001 0.000 0.278 374 S C -1.963 172.481 174.600 -0.260 0.000 1.186 374 S CA 0.023 58.134 58.200 -0.148 0.000 0.836 374 S CB 1.316 64.439 63.200 -0.129 0.000 1.186 374 S HN 1.649 nan 8.310 nan 0.000 0.499 375 A N 0.230 122.729 122.820 -0.535 0.000 2.549 375 A HA 0.764 5.085 4.320 0.001 0.000 0.291 375 A C -0.452 176.650 177.584 -0.803 0.000 1.034 375 A CA 0.060 51.706 52.037 -0.652 0.000 0.655 375 A CB 0.391 18.848 19.000 -0.904 0.000 1.299 375 A HN 2.165 nan 8.150 nan 0.000 0.427 376 T N -1.051 113.152 114.554 -0.585 0.000 2.868 376 T HA 0.740 5.091 4.350 0.001 0.000 0.306 376 T C -1.464 173.124 174.700 -0.188 0.000 1.224 376 T CA -0.284 61.595 62.100 -0.369 0.000 1.012 376 T CB 1.284 70.028 68.868 -0.208 0.000 1.221 376 T HN 1.971 nan 8.240 nan 0.000 0.499 377 F N 3.255 123.060 119.950 -0.241 0.000 2.557 377 F HA 0.790 5.318 4.527 0.001 0.000 0.316 377 F C -1.990 173.757 175.800 -0.088 0.000 1.141 377 F CA -1.164 56.679 58.000 -0.261 0.000 0.922 377 F CB 1.288 40.016 39.000 -0.453 0.000 1.194 377 F HN 0.617 nan 8.300 nan 0.000 0.443 378 I N 5.392 125.489 120.570 -0.790 0.000 2.362 378 I HA 0.615 4.785 4.170 0.001 0.000 0.289 378 I C 0.031 175.522 176.117 -1.042 0.000 0.994 378 I CA -0.792 60.075 61.300 -0.723 0.000 1.158 378 I CB 1.834 39.623 38.000 -0.352 0.000 1.315 378 I HN 0.869 nan 8.210 nan 0.000 0.451 379 G N 4.013 112.285 108.800 -0.880 0.000 2.683 379 G HA2 0.240 4.201 3.960 0.001 0.000 0.299 379 G HA3 0.240 4.201 3.960 0.001 0.000 0.299 379 G C -0.997 173.931 174.900 0.048 0.000 1.432 379 G CA -0.620 44.278 45.100 -0.336 0.000 0.978 379 G HN 0.705 nan 8.290 nan 0.000 0.513 380 N N 1.997 120.750 118.700 0.088 0.000 2.508 380 N HA 0.290 5.031 4.740 0.001 0.000 0.253 380 N C -0.274 175.401 175.510 0.275 0.000 1.145 380 N CA -0.111 53.125 53.050 0.311 0.000 0.973 380 N CB 0.407 39.090 38.487 0.327 0.000 1.305 380 N HN 0.299 nan 8.380 nan 0.000 0.506 381 S N 1.348 117.160 115.700 0.187 0.000 2.513 381 S HA 0.189 4.660 4.470 0.001 0.000 0.299 381 S C 1.221 175.743 174.600 -0.130 0.000 1.087 381 S CA -0.746 57.459 58.200 0.009 0.000 1.012 381 S CB 1.348 64.457 63.200 -0.150 0.000 1.044 381 S HN 0.608 nan 8.310 nan 0.000 0.485 382 T N 1.801 116.297 114.554 -0.096 0.000 3.163 382 T HA 0.101 4.452 4.350 0.001 0.000 0.260 382 T C 1.681 176.290 174.700 -0.152 0.000 1.156 382 T CA 0.651 62.657 62.100 -0.157 0.000 1.072 382 T CB -0.281 68.667 68.868 0.134 0.000 0.937 382 T HN 0.614 nan 8.240 nan 0.000 0.528 383 A N 1.677 124.419 122.820 -0.130 0.000 2.070 383 A HA 0.105 4.425 4.320 0.001 0.000 0.220 383 A C 2.219 179.763 177.584 -0.067 0.000 1.159 383 A CA 0.583 52.584 52.037 -0.059 0.000 0.656 383 A CB -0.698 18.262 19.000 -0.066 0.000 0.800 383 A HN 0.470 nan 8.150 nan 0.000 0.453 384 I N 0.229 120.707 120.570 -0.154 0.000 2.335 384 I HA -0.277 3.894 4.170 0.001 0.000 0.251 384 I C 2.480 178.569 176.117 -0.047 0.000 1.129 384 I CA 1.661 62.878 61.300 -0.138 0.000 1.402 384 I CB -1.132 36.764 38.000 -0.174 0.000 1.069 384 I HN 0.567 nan 8.210 nan 0.000 0.424 385 Q N 0.644 120.384 119.800 -0.100 0.000 2.103 385 Q HA -0.318 4.022 4.340 0.001 0.000 0.213 385 Q C 2.042 178.122 176.000 0.134 0.000 1.008 385 Q CA 2.605 58.481 55.803 0.121 0.000 0.879 385 Q CB -0.117 28.681 28.738 0.100 0.000 0.946 385 Q HN 0.531 nan 8.270 nan 0.000 0.413 386 E N 0.187 120.414 120.200 0.045 0.000 2.097 386 E HA -0.212 4.139 4.350 0.001 0.000 0.196 386 E C 2.060 178.651 176.600 -0.015 0.000 1.000 386 E CA 1.264 57.672 56.400 0.014 0.000 0.804 386 E CB -0.176 29.525 29.700 0.002 0.000 0.740 386 E HN 0.396 nan 8.360 nan 0.000 0.454 387 L N -0.180 120.994 121.223 -0.082 0.000 1.955 387 L HA -0.227 4.114 4.340 0.001 0.000 0.213 387 L C 2.025 178.759 176.870 -0.225 0.000 1.072 387 L CA 1.566 56.274 54.840 -0.220 0.000 0.755 387 L CB -0.296 41.513 42.059 -0.417 0.000 0.888 387 L HN 0.128 nan 8.230 nan 0.000 0.432 388 F N 0.178 120.077 119.950 -0.084 0.000 2.065 388 F HA -0.305 4.223 4.527 0.001 0.000 0.298 388 F C 2.570 178.326 175.800 -0.073 0.000 1.112 388 F CA 1.829 59.767 58.000 -0.103 0.000 1.212 388 F CB -0.603 38.322 39.000 -0.125 0.000 0.975 388 F HN -0.014 nan 8.300 nan 0.000 0.476 389 K N 0.263 120.751 120.400 0.147 0.000 2.052 389 K HA -0.283 4.038 4.320 0.001 0.000 0.215 389 K C 2.078 178.701 176.600 0.039 0.000 1.053 389 K CA 2.327 58.657 56.287 0.070 0.000 0.934 389 K CB -0.312 32.217 32.500 0.049 0.000 0.717 389 K HN 0.320 nan 8.250 nan 0.000 0.450 390 R N 0.879 121.386 120.500 0.011 0.000 2.235 390 R HA -0.063 4.278 4.340 0.001 0.000 0.213 390 R C 2.106 178.404 176.300 -0.004 0.000 1.059 390 R CA 1.401 57.498 56.100 -0.005 0.000 0.997 390 R CB -0.555 29.731 30.300 -0.024 0.000 0.884 390 R HN 0.381 nan 8.270 nan 0.000 0.462 391 I N -1.824 118.741 120.570 -0.009 0.000 2.494 391 I HA 0.098 4.268 4.170 0.001 0.000 0.250 391 I C 1.965 178.120 176.117 0.062 0.000 1.112 391 I CA 1.096 62.399 61.300 0.004 0.000 1.438 391 I CB -0.182 37.795 38.000 -0.038 0.000 1.111 391 I HN 0.085 nan 8.210 nan 0.000 0.431 392 S N 0.176 115.908 115.700 0.054 0.000 2.547 392 S HA -0.148 4.323 4.470 0.001 0.000 0.235 392 S C 1.871 176.559 174.600 0.147 0.000 0.980 392 S CA 1.288 59.539 58.200 0.086 0.000 0.941 392 S CB -0.654 62.554 63.200 0.013 0.000 0.763 392 S HN 0.729 nan 8.310 nan 0.000 0.532 393 E N 0.273 120.532 120.200 0.097 0.000 2.166 393 E HA -0.086 4.265 4.350 0.001 0.000 0.192 393 E C 1.703 178.347 176.600 0.073 0.000 0.967 393 E CA 0.505 56.950 56.400 0.076 0.000 0.840 393 E CB -0.041 29.683 29.700 0.039 0.000 0.795 393 E HN 0.670 nan 8.360 nan 0.000 0.470 394 Q N -0.528 119.312 119.800 0.066 0.000 2.432 394 Q HA 0.031 4.371 4.340 0.001 0.000 0.205 394 Q C 1.618 177.650 176.000 0.054 0.000 0.945 394 Q CA 0.540 56.361 55.803 0.030 0.000 0.924 394 Q CB -0.208 28.524 28.738 -0.010 0.000 1.016 394 Q HN 0.262 nan 8.270 nan 0.000 0.503 395 F N 1.796 121.740 119.950 -0.009 0.000 2.094 395 F HA -0.090 4.438 4.527 0.001 0.000 0.291 395 F C 1.888 177.766 175.800 0.130 0.000 1.109 395 F CA 1.668 59.696 58.000 0.045 0.000 1.221 395 F CB -0.354 38.683 39.000 0.061 0.000 1.014 395 F HN -0.084 nan 8.300 nan 0.000 0.473 396 T N 1.005 115.714 114.554 0.258 0.000 2.778 396 T HA -0.217 4.134 4.350 0.001 0.000 0.269 396 T C 2.121 176.863 174.700 0.070 0.000 1.050 396 T CA 1.251 63.448 62.100 0.162 0.000 1.137 396 T CB -0.884 68.093 68.868 0.182 0.000 0.860 396 T HN 0.403 nan 8.240 nan 0.000 0.468 397 A N 0.610 123.454 122.820 0.040 0.000 2.024 397 A HA -0.011 4.310 4.320 0.001 0.000 0.220 397 A C 2.256 179.826 177.584 -0.024 0.000 1.164 397 A CA 1.405 53.447 52.037 0.008 0.000 0.643 397 A CB -0.518 18.480 19.000 -0.003 0.000 0.806 397 A HN 0.479 nan 8.150 nan 0.000 0.451 398 M N -3.137 116.417 119.600 -0.077 0.000 2.556 398 M HA 0.179 4.660 4.480 0.001 0.000 0.259 398 M C 1.886 178.205 176.300 0.032 0.000 1.175 398 M CA 0.759 56.011 55.300 -0.079 0.000 1.202 398 M CB -0.117 32.304 32.600 -0.299 0.000 1.298 398 M HN 0.434 nan 8.290 nan 0.000 0.492 399 F N 1.498 121.346 119.950 -0.169 0.000 2.346 399 F HA -0.244 4.284 4.527 0.001 0.000 0.301 399 F C 2.026 177.771 175.800 -0.091 0.000 1.070 399 F CA 1.254 59.152 58.000 -0.171 0.000 1.407 399 F CB -0.236 38.534 39.000 -0.383 0.000 1.072 399 F HN 0.017 nan 8.300 nan 0.000 0.543 400 R N 0.815 121.346 120.500 0.051 0.000 2.474 400 R HA -0.271 4.069 4.340 0.001 0.000 0.204 400 R C 1.564 177.809 176.300 -0.091 0.000 1.005 400 R CA 2.239 58.344 56.100 0.009 0.000 0.764 400 R CB -0.628 29.679 30.300 0.012 0.000 0.800 400 R HN 0.147 nan 8.270 nan 0.000 0.419 401 R N 1.385 121.837 120.500 -0.081 0.000 4.394 401 R HA 0.022 4.363 4.340 0.001 0.000 0.257 401 R C -0.760 175.448 176.300 -0.154 0.000 1.727 401 R CA 0.032 56.066 56.100 -0.109 0.000 1.497 401 R CB -0.282 29.983 30.300 -0.058 0.000 1.406 401 R HN 0.301 nan 8.270 nan 0.000 0.745 402 K N 0.046 120.264 120.400 -0.303 0.000 4.444 402 K HA -0.286 4.035 4.320 0.001 0.000 0.281 402 K C 0.734 177.278 176.600 -0.094 0.000 0.817 402 K CA 0.433 56.496 56.287 -0.373 0.000 0.793 402 K CB -1.029 31.204 32.500 -0.445 0.000 1.784 402 K HN 0.529 nan 8.250 nan 0.000 0.424 403 A N 1.461 124.331 122.820 0.083 0.000 3.154 403 A HA -0.022 4.299 4.320 0.001 0.000 0.157 403 A C 1.036 178.909 177.584 0.482 0.000 0.966 403 A CA 1.169 53.389 52.037 0.305 0.000 1.076 403 A CB -0.417 18.806 19.000 0.371 0.000 0.868 403 A HN 0.466 nan 8.150 nan 0.000 0.549 404 F N 0.307 120.475 119.950 0.364 0.000 2.773 404 F HA 0.018 4.546 4.527 0.001 0.000 0.299 404 F C 1.822 177.896 175.800 0.457 0.000 1.204 404 F CA 0.197 58.488 58.000 0.485 0.000 1.454 404 F CB -1.206 38.142 39.000 0.580 0.000 1.117 404 F HN 0.376 nan 8.300 nan 0.000 0.590 405 L N 0.782 122.264 121.223 0.432 0.000 2.081 405 L HA -0.275 4.066 4.340 0.001 0.000 0.212 405 L C 2.979 179.909 176.870 0.100 0.000 1.080 405 L CA 2.058 56.944 54.840 0.075 0.000 0.754 405 L CB -0.861 40.990 42.059 -0.348 0.000 0.893 405 L HN 0.398 nan 8.230 nan 0.000 0.433 406 H N -2.049 116.985 119.070 -0.059 0.000 2.492 406 H HA -0.260 4.296 4.556 0.001 0.000 0.296 406 H C 1.670 176.923 175.328 -0.126 0.000 1.095 406 H CA 1.835 57.784 56.048 -0.165 0.000 1.281 406 H CB -1.310 28.260 29.762 -0.320 0.000 1.374 406 H HN 0.648 nan 8.280 nan 0.000 0.545 407 W N 0.586 121.579 121.300 -0.512 0.000 2.425 407 W HA -0.087 4.574 4.660 0.002 0.000 0.277 407 W C 1.610 177.974 176.519 -0.258 0.000 1.231 407 W CA 0.694 57.789 57.345 -0.418 0.000 1.248 407 W CB -0.171 29.041 29.460 -0.414 0.000 1.117 407 W HN 0.153 nan 8.180 nan 0.000 0.568 408 Y N -1.261 119.176 120.300 0.230 0.000 2.266 408 Y HA -0.042 4.509 4.550 0.002 0.000 0.294 408 Y C 2.535 178.512 175.900 0.129 0.000 1.127 408 Y CA 1.267 59.511 58.100 0.241 0.000 1.140 408 Y CB -1.289 37.418 38.460 0.411 0.000 1.071 408 Y HN -0.324 nan 8.280 nan 0.000 0.525 409 T N -0.140 114.543 114.554 0.214 0.000 2.616 409 T HA -0.304 4.047 4.350 0.001 0.000 0.261 409 T C 1.779 176.529 174.700 0.083 0.000 1.105 409 T CA 2.125 64.282 62.100 0.095 0.000 1.159 409 T CB -1.049 67.835 68.868 0.025 0.000 0.856 409 T HN 0.596 nan 8.240 nan 0.000 0.449 410 G N 0.191 109.032 108.800 0.069 0.000 3.448 410 G HA2 0.150 4.111 3.960 0.001 0.000 0.261 410 G HA3 0.150 4.111 3.960 0.001 0.000 0.261 410 G C 0.934 175.874 174.900 0.066 0.000 1.173 410 G CA -0.151 44.980 45.100 0.051 0.000 0.835 410 G HN 0.349 nan 8.290 nan 0.000 0.534 411 E N 0.210 120.463 120.200 0.087 0.000 2.481 411 E HA 0.176 4.527 4.350 0.001 0.000 0.198 411 E C 1.555 178.182 176.600 0.044 0.000 1.027 411 E CA 0.475 56.922 56.400 0.078 0.000 0.900 411 E CB 0.636 30.395 29.700 0.099 0.000 0.993 411 E HN 0.444 nan 8.360 nan 0.000 0.482 412 G N 1.198 110.018 108.800 0.033 0.000 2.164 412 G HA2 -0.195 3.766 3.960 0.001 0.000 0.154 412 G HA3 -0.195 3.766 3.960 0.001 0.000 0.154 412 G C 0.186 175.064 174.900 -0.036 0.000 1.014 412 G CA -0.081 45.020 45.100 0.001 0.000 0.683 412 G HN 0.119 nan 8.290 nan 0.000 0.500 413 M N 0.690 120.296 119.600 0.010 0.000 2.528 413 M HA 0.492 4.972 4.480 0.001 0.000 0.318 413 M C -0.754 175.617 176.300 0.117 0.000 1.195 413 M CA -0.662 54.660 55.300 0.038 0.000 1.000 413 M CB 1.298 33.997 32.600 0.165 0.000 1.615 413 M HN 0.084 nan 8.290 nan 0.000 0.469 414 D N 1.292 121.782 120.400 0.149 0.000 2.198 414 D HA 0.094 4.735 4.640 0.001 0.000 0.245 414 D C 0.648 177.073 176.300 0.208 0.000 1.079 414 D CA 0.045 54.135 54.000 0.150 0.000 0.854 414 D CB 1.404 42.280 40.800 0.127 0.000 1.148 414 D HN 0.625 nan 8.370 nan 0.000 0.456 415 E N 3.057 123.332 120.200 0.125 0.000 2.181 415 E HA -0.343 4.008 4.350 0.001 0.000 0.225 415 E C 1.557 178.298 176.600 0.235 0.000 1.073 415 E CA 3.019 59.483 56.400 0.106 0.000 0.916 415 E CB -0.223 29.510 29.700 0.055 0.000 0.793 415 E HN 0.716 nan 8.360 nan 0.000 0.472 416 M N -0.847 118.872 119.600 0.199 0.000 2.561 416 M HA 0.253 4.734 4.480 0.001 0.000 0.238 416 M C 1.722 178.130 176.300 0.181 0.000 1.131 416 M CA 1.267 56.683 55.300 0.193 0.000 1.046 416 M CB 0.252 32.927 32.600 0.126 0.000 1.532 416 M HN 0.049 nan 8.290 nan 0.000 0.497 417 E N 0.303 120.636 120.200 0.223 0.000 2.347 417 E HA -0.089 4.262 4.350 0.001 0.000 0.196 417 E C 1.039 177.702 176.600 0.104 0.000 1.008 417 E CA 0.882 57.383 56.400 0.169 0.000 0.852 417 E CB 0.010 29.818 29.700 0.179 0.000 0.783 417 E HN 0.607 nan 8.360 nan 0.000 0.505 418 F N 0.531 120.479 119.950 -0.004 0.000 2.094 418 F HA -0.110 4.417 4.527 0.001 0.000 0.291 418 F C 2.626 178.285 175.800 -0.235 0.000 1.109 418 F CA 1.532 59.483 58.000 -0.081 0.000 1.221 418 F CB -0.831 38.202 39.000 0.054 0.000 1.014 418 F HN -0.022 nan 8.300 nan 0.000 0.473 419 T N -0.720 113.788 114.554 -0.076 0.000 2.721 419 T HA -0.290 4.061 4.350 0.001 0.000 0.268 419 T C 1.802 176.423 174.700 -0.132 0.000 1.038 419 T CA 1.783 63.775 62.100 -0.180 0.000 1.145 419 T CB -0.464 68.394 68.868 -0.017 0.000 0.858 419 T HN 0.318 nan 8.240 nan 0.000 0.459 420 E N 0.704 120.857 120.200 -0.078 0.000 2.072 420 E HA -0.061 4.290 4.350 0.001 0.000 0.191 420 E C 2.475 178.908 176.600 -0.279 0.000 0.985 420 E CA 0.934 57.266 56.400 -0.114 0.000 0.801 420 E CB -0.174 29.520 29.700 -0.009 0.000 0.750 420 E HN 0.554 nan 8.360 nan 0.000 0.452 421 A N 0.762 123.428 122.820 -0.257 0.000 1.970 421 A HA -0.164 4.157 4.320 0.001 0.000 0.216 421 A C 1.960 179.271 177.584 -0.455 0.000 1.170 421 A CA 1.215 53.024 52.037 -0.380 0.000 0.645 421 A CB -0.324 18.510 19.000 -0.276 0.000 0.816 421 A HN 0.289 nan 8.150 nan 0.000 0.447 422 E N -0.024 119.935 120.200 -0.402 0.000 2.031 422 E HA -0.148 4.202 4.350 0.001 0.000 0.193 422 E C 2.177 178.613 176.600 -0.274 0.000 0.994 422 E CA 1.338 57.518 56.400 -0.365 0.000 0.800 422 E CB -0.115 29.463 29.700 -0.203 0.000 0.752 422 E HN 0.511 nan 8.360 nan 0.000 0.447 423 S N 0.842 116.399 115.700 -0.237 0.000 2.359 423 S HA -0.224 4.247 4.470 0.001 0.000 0.222 423 S C 1.776 176.227 174.600 -0.250 0.000 1.038 423 S CA 1.353 59.433 58.200 -0.200 0.000 1.051 423 S CB -0.584 62.516 63.200 -0.167 0.000 0.944 423 S HN 0.372 nan 8.310 nan 0.000 0.433 424 N N 0.840 119.324 118.700 -0.359 0.000 2.036 424 N HA -0.154 4.586 4.740 0.001 0.000 0.195 424 N C 1.917 177.228 175.510 -0.332 0.000 1.037 424 N CA 1.635 54.447 53.050 -0.396 0.000 0.855 424 N CB -0.313 37.747 38.487 -0.712 0.000 1.033 424 N HN 0.426 nan 8.380 nan 0.000 0.423 425 M N 0.770 120.158 119.600 -0.353 0.000 2.117 425 M HA -0.141 4.340 4.480 0.001 0.000 0.262 425 M C 1.333 177.465 176.300 -0.279 0.000 1.065 425 M CA 1.459 56.557 55.300 -0.336 0.000 1.114 425 M CB -0.230 32.179 32.600 -0.318 0.000 1.361 425 M HN 0.050 nan 8.290 nan 0.000 0.408 426 N N 1.291 119.861 118.700 -0.216 0.000 2.430 426 N HA -0.157 4.584 4.740 0.001 0.000 0.186 426 N C 0.997 176.421 175.510 -0.144 0.000 1.032 426 N CA 1.295 54.257 53.050 -0.147 0.000 0.893 426 N CB -0.416 38.005 38.487 -0.110 0.000 0.957 426 N HN 0.484 nan 8.380 nan 0.000 0.442 427 D N 0.321 120.614 120.400 -0.178 0.000 2.137 427 D HA -0.079 4.562 4.640 0.001 0.000 0.202 427 D C 2.030 178.214 176.300 -0.193 0.000 0.970 427 D CA 0.238 54.138 54.000 -0.166 0.000 0.837 427 D CB -0.278 40.421 40.800 -0.168 0.000 0.981 427 D HN 0.156 nan 8.370 nan 0.000 0.475 428 L N 0.737 121.800 121.223 -0.267 0.000 2.187 428 L HA -0.131 4.210 4.340 0.001 0.000 0.213 428 L C 2.081 178.801 176.870 -0.251 0.000 1.100 428 L CA 1.129 55.755 54.840 -0.357 0.000 0.765 428 L CB -0.163 41.566 42.059 -0.551 0.000 0.904 428 L HN -0.156 nan 8.230 nan 0.000 0.437 429 V N -1.355 118.465 119.914 -0.157 0.000 2.379 429 V HA -0.222 3.899 4.120 0.001 0.000 0.245 429 V C 2.566 178.667 176.094 0.012 0.000 1.044 429 V CA 1.818 64.118 62.300 -0.000 0.000 1.036 429 V CB -0.103 31.718 31.823 -0.003 0.000 0.664 429 V HN 0.510 nan 8.190 nan 0.000 0.453 430 S N -0.486 115.181 115.700 -0.056 0.000 2.399 430 S HA -0.195 4.276 4.470 0.001 0.000 0.231 430 S C 1.836 176.395 174.600 -0.067 0.000 1.022 430 S CA 1.617 59.781 58.200 -0.059 0.000 0.983 430 S CB -0.128 63.019 63.200 -0.087 0.000 0.803 430 S HN 0.734 nan 8.310 nan 0.000 0.480 431 E N -0.543 119.601 120.200 -0.093 0.000 2.102 431 E HA 0.013 4.364 4.350 0.001 0.000 0.190 431 E C 1.538 178.176 176.600 0.064 0.000 0.971 431 E CA 0.546 56.889 56.400 -0.095 0.000 0.821 431 E CB -0.241 29.367 29.700 -0.153 0.000 0.777 431 E HN 0.570 nan 8.360 nan 0.000 0.460 432 Y N 1.141 121.499 120.300 0.095 0.000 2.241 432 Y HA -0.296 4.255 4.550 0.001 0.000 0.286 432 Y C 2.641 178.626 175.900 0.141 0.000 1.166 432 Y CA 1.123 59.317 58.100 0.156 0.000 1.203 432 Y CB 0.160 38.684 38.460 0.106 0.000 0.977 432 Y HN 0.094 nan 8.280 nan 0.000 0.529 433 Q N 0.487 120.411 119.800 0.206 0.000 2.083 433 Q HA -0.179 4.162 4.340 0.001 0.000 0.198 433 Q C 1.939 177.956 176.000 0.029 0.000 0.969 433 Q CA 1.509 57.375 55.803 0.105 0.000 0.838 433 Q CB -0.213 28.555 28.738 0.050 0.000 0.900 433 Q HN 0.439 nan 8.270 nan 0.000 0.436 434 Q N -1.068 118.688 119.800 -0.074 0.000 2.248 434 Q HA -0.162 4.179 4.340 0.001 0.000 0.208 434 Q C -0.050 175.740 176.000 -0.348 0.000 0.984 434 Q CA 1.067 56.700 55.803 -0.284 0.000 0.875 434 Q CB 0.033 28.468 28.738 -0.506 0.000 0.910 434 Q HN 0.467 nan 8.270 nan 0.000 0.433 435 Y N 0.108 120.448 120.300 0.066 0.000 2.827 435 Y HA 0.241 4.792 4.550 0.001 0.000 0.373 435 Y C -0.365 175.677 175.900 0.236 0.000 1.198 435 Y CA -0.268 57.943 58.100 0.186 0.000 1.589 435 Y CB 0.544 39.172 38.460 0.280 0.000 1.682 435 Y HN -0.059 nan 8.280 nan 0.000 0.506 436 Q N 0.913 120.855 119.800 0.236 0.000 3.300 436 Q HA 0.260 4.601 4.340 0.001 0.000 0.271 436 Q C 0.283 176.371 176.000 0.147 0.000 0.926 436 Q CA 0.006 55.930 55.803 0.201 0.000 0.788 436 Q CB 0.737 29.549 28.738 0.122 0.000 1.385 436 Q HN 0.789 nan 8.270 nan 0.000 0.424 437 D N 0.369 120.905 120.400 0.227 0.000 2.929 437 D HA 0.854 5.495 4.640 0.001 0.000 0.246 437 D C 0.260 176.631 176.300 0.117 0.000 1.237 437 D CA 0.631 54.701 54.000 0.116 0.000 1.171 437 D CB 0.274 41.093 40.800 0.032 0.000 0.933 437 D HN 0.452 nan 8.370 nan 0.000 0.216 438 A N 0.000 122.893 122.820 0.122 0.000 2.254 438 A HA 0.000 4.321 4.320 0.001 0.000 0.244 438 A CA 0.000 52.105 52.037 0.113 0.000 0.836 438 A CB 0.000 19.024 19.000 0.039 0.000 0.831 438 A HN 0.000 nan 8.150 nan 0.000 0.486