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 1b65_1_F DATA FIRST_RESID 9 DATA SEQUENCE KPRARDLGLP FTGVTGPYNA ITDVDGVGVG FQTIIENEPR PGRKRPARSG DATA SEQUENCE VTAILPHMQS ETPVPVYAGV HRFNGNGEMT GTHWIEDGGY FLGPVVITNT DATA SEQUENCE HGIGMAHHAT VRWMVDRYAS TYQTDDFLWI MPVVAETYDG ALNDINGFPV DATA SEQUENCE TEADVRKALD NVASGPVQEG NCGGGTGMIT YGFKGGTGTA SRVVEFGGRS DATA SEQUENCE FTIGALVQAN HGQRDWLTIA GVPVGQHMRD GTPQSQLXXX XSIIVVLATD DATA SEQUENCE LPLMPHQLKR LARRASIGIG RNGTPGGNNS GDIFIAFSTA NQRPMQHRSA DATA SEQUENCE PFLDVEMVND EPLDTVYLAA VDSVEEAVVN AMIAAEDMGG TPFDRLLVQA DATA SEQUENCE IDHERLRAVL RQYGRLA 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 9 K HA 0.000 nan 4.320 nan 0.000 0.191 9 K C 0.000 176.624 176.600 0.040 0.000 0.988 9 K CA 0.000 56.313 56.287 0.044 0.000 0.838 9 K CB 0.000 32.522 32.500 0.036 0.000 1.064 10 P HA 0.263 nan 4.420 nan 0.000 0.271 10 P C -0.497 176.797 177.300 -0.010 0.000 1.218 10 P CA -0.277 62.833 63.100 0.018 0.000 0.780 10 P CB 0.965 32.674 31.700 0.015 0.000 0.901 11 R N 0.482 120.969 120.500 -0.020 0.000 2.719 11 R HA 0.570 4.910 4.340 0.000 0.000 0.233 11 R C 1.573 177.841 176.300 -0.053 0.000 1.257 11 R CA -0.474 55.605 56.100 -0.036 0.000 1.109 11 R CB 0.195 30.481 30.300 -0.023 0.000 1.447 11 R HN 0.467 nan 8.270 nan 0.000 0.537 12 A N 0.832 123.627 122.820 -0.042 0.000 1.908 12 A HA -0.182 4.138 4.320 0.000 0.000 0.218 12 A C 2.019 179.657 177.584 0.090 0.000 1.181 12 A CA 1.491 53.542 52.037 0.024 0.000 0.627 12 A CB -0.432 18.642 19.000 0.123 0.000 0.818 12 A HN 0.604 nan 8.150 nan 0.000 0.445 13 R N -0.283 120.273 120.500 0.093 0.000 2.120 13 R HA -0.111 4.229 4.340 0.000 0.000 0.234 13 R C 1.269 177.598 176.300 0.048 0.000 1.123 13 R CA 1.346 57.515 56.100 0.114 0.000 0.975 13 R CB -0.325 30.022 30.300 0.078 0.000 0.866 13 R HN 0.516 nan 8.270 nan 0.000 0.446 14 D N 0.541 120.951 120.400 0.016 0.000 2.264 14 D HA -0.106 4.534 4.640 0.000 0.000 0.208 14 D C 1.458 177.752 176.300 -0.010 0.000 0.966 14 D CA 0.953 54.955 54.000 0.003 0.000 0.864 14 D CB 0.149 40.947 40.800 -0.003 0.000 0.933 14 D HN 0.272 nan 8.370 nan 0.000 0.499 15 L N -0.563 120.642 121.223 -0.029 0.000 2.592 15 L HA 0.190 4.530 4.340 0.000 0.000 0.227 15 L C 1.430 178.284 176.870 -0.026 0.000 1.127 15 L CA 0.243 55.055 54.840 -0.046 0.000 0.884 15 L CB 0.120 42.109 42.059 -0.116 0.000 1.065 15 L HN 0.063 nan 8.230 nan 0.000 0.457 16 G N 0.237 109.032 108.800 -0.007 0.000 2.157 16 G HA2 -0.251 3.709 3.960 0.000 0.000 0.239 16 G HA3 -0.251 3.709 3.960 0.000 0.000 0.239 16 G C -0.023 174.858 174.900 -0.031 0.000 0.982 16 G CA -0.451 44.642 45.100 -0.013 0.000 0.650 16 G HN 0.122 nan 8.290 nan 0.000 0.527 17 L N 1.965 123.175 121.223 -0.021 0.000 2.453 17 L HA 0.364 4.704 4.340 0.000 0.000 0.272 17 L C -1.123 175.645 176.870 -0.171 0.000 1.182 17 L CA -1.177 53.598 54.840 -0.108 0.000 0.858 17 L CB 0.328 42.349 42.059 -0.063 0.000 1.120 17 L HN -0.009 nan 8.230 nan 0.000 0.474 18 P HA 0.081 nan 4.420 nan 0.000 0.226 18 P C -0.658 176.444 177.300 -0.332 0.000 1.783 18 P CA -0.161 62.795 63.100 -0.239 0.000 0.980 18 P CB -0.418 31.166 31.700 -0.194 0.000 1.967 19 F N 1.244 121.181 119.950 -0.021 0.000 2.429 19 F HA 0.110 4.637 4.527 0.000 0.000 0.348 19 F C 1.622 177.415 175.800 -0.012 0.000 1.109 19 F CA -0.054 57.935 58.000 -0.017 0.000 1.232 19 F CB 0.148 39.138 39.000 -0.018 0.000 1.157 19 F HN 0.005 nan 8.300 nan 0.000 0.564 20 T N 1.786 116.471 114.554 0.219 0.000 2.510 20 T HA 0.221 4.571 4.350 0.000 0.000 0.218 20 T C 0.813 175.582 174.700 0.115 0.000 1.031 20 T CA -0.028 62.166 62.100 0.155 0.000 1.169 20 T CB -0.897 68.112 68.868 0.235 0.000 1.007 20 T HN 1.290 nan 8.240 nan 0.000 0.462 21 G N 2.506 111.348 108.800 0.070 0.000 2.649 21 G HA2 -0.162 3.798 3.960 0.000 0.000 0.413 21 G HA3 -0.162 3.798 3.960 0.000 0.000 0.413 21 G C -0.001 174.921 174.900 0.036 0.000 1.335 21 G CA -0.350 44.778 45.100 0.047 0.000 0.917 21 G HN 1.537 nan 8.290 nan 0.000 0.552 22 V N 1.543 121.471 119.914 0.024 0.000 2.488 22 V HA 0.505 4.626 4.120 0.000 0.000 0.277 22 V C 1.315 177.412 176.094 0.006 0.000 1.046 22 V CA 0.432 62.739 62.300 0.012 0.000 0.986 22 V CB 0.663 32.490 31.823 0.008 0.000 0.989 22 V HN 1.289 nan 8.190 nan 0.000 0.475 23 T N 2.561 117.113 114.554 -0.004 0.000 2.897 23 T HA 0.688 5.038 4.350 0.000 0.000 0.278 23 T C 0.565 175.254 174.700 -0.019 0.000 0.981 23 T CA -0.061 62.033 62.100 -0.011 0.000 0.973 23 T CB 1.604 70.460 68.868 -0.019 0.000 1.092 23 T HN 0.822 nan 8.240 nan 0.000 0.543 24 G N 0.217 109.008 108.800 -0.016 0.000 2.588 24 G HA2 0.442 4.402 3.960 0.000 0.000 0.278 24 G HA3 0.442 4.402 3.960 0.000 0.000 0.278 24 G C -1.606 173.252 174.900 -0.069 0.000 1.307 24 G CA -1.385 43.699 45.100 -0.027 0.000 1.016 24 G HN 0.558 nan 8.290 nan 0.000 0.503 25 P HA -0.111 nan 4.420 nan 0.000 0.216 25 P C 0.644 177.701 177.300 -0.406 0.000 1.153 25 P CA 1.435 64.344 63.100 -0.318 0.000 0.858 25 P CB 0.015 31.433 31.700 -0.470 0.000 0.789 26 Y N -2.977 117.322 120.300 -0.001 0.000 2.458 26 Y HA 0.239 4.789 4.550 0.000 0.000 0.256 26 Y C 0.659 176.555 175.900 -0.007 0.000 1.159 26 Y CA -0.430 57.671 58.100 0.001 0.000 1.261 26 Y CB -0.866 37.599 38.460 0.008 0.000 1.119 26 Y HN -0.108 nan 8.280 nan 0.000 0.524 27 N N 0.887 119.633 118.700 0.077 0.000 2.696 27 N HA -0.166 4.574 4.740 0.000 0.000 0.256 27 N C -0.921 174.618 175.510 0.048 0.000 1.031 27 N CA 0.756 53.826 53.050 0.033 0.000 0.730 27 N CB -0.947 37.540 38.487 -0.000 0.000 0.894 27 N HN 0.467 nan 8.380 nan 0.000 0.544 28 A N 0.243 123.106 122.820 0.071 0.000 2.599 28 A HA 0.592 4.912 4.320 0.000 0.000 0.290 28 A C 0.973 178.587 177.584 0.050 0.000 1.101 28 A CA -0.278 51.797 52.037 0.062 0.000 0.674 28 A CB 0.261 19.315 19.000 0.089 0.000 1.277 28 A HN 0.218 nan 8.150 nan 0.000 0.419 29 I N 0.560 121.151 120.570 0.035 0.000 2.567 29 I HA -0.159 4.011 4.170 0.000 0.000 0.257 29 I C 2.229 178.366 176.117 0.032 0.000 1.184 29 I CA 2.194 63.507 61.300 0.021 0.000 1.451 29 I CB 0.124 38.138 38.000 0.023 0.000 1.089 29 I HN 0.848 nan 8.210 nan 0.000 0.441 30 T N -3.087 111.492 114.554 0.042 0.000 3.113 30 T HA -0.093 4.257 4.350 0.000 0.000 0.263 30 T C 1.312 176.065 174.700 0.088 0.000 1.143 30 T CA 0.683 62.811 62.100 0.045 0.000 1.090 30 T CB -0.445 68.424 68.868 0.003 0.000 0.922 30 T HN 0.272 nan 8.240 nan 0.000 0.521 31 D N 1.219 121.680 120.400 0.102 0.000 2.350 31 D HA 0.041 4.681 4.640 0.000 0.000 0.216 31 D C 0.418 176.751 176.300 0.055 0.000 0.968 31 D CA 0.271 54.330 54.000 0.098 0.000 0.894 31 D CB -0.113 40.730 40.800 0.071 0.000 0.909 31 D HN 0.319 nan 8.370 nan 0.000 0.520 32 V N 3.371 123.307 119.914 0.038 0.000 2.488 32 V HA -0.002 4.118 4.120 0.000 0.000 0.277 32 V C 0.449 176.564 176.094 0.035 0.000 1.046 32 V CA -0.918 61.396 62.300 0.023 0.000 0.986 32 V CB 1.207 33.024 31.823 -0.010 0.000 0.989 32 V HN 0.152 nan 8.190 nan 0.000 0.475 33 D N 4.207 124.629 120.400 0.038 0.000 2.458 33 D HA 0.181 4.821 4.640 0.000 0.000 0.243 33 D C 1.063 177.386 176.300 0.039 0.000 1.146 33 D CA 0.630 54.658 54.000 0.046 0.000 0.877 33 D CB 1.332 42.163 40.800 0.051 0.000 1.176 33 D HN 0.903 nan 8.370 nan 0.000 0.461 34 G N 1.603 110.433 108.800 0.050 0.000 2.225 34 G HA2 -0.255 3.705 3.960 0.000 0.000 0.254 34 G HA3 -0.255 3.705 3.960 0.000 0.000 0.254 34 G C 0.259 175.177 174.900 0.029 0.000 0.988 34 G CA 0.272 45.404 45.100 0.053 0.000 0.625 34 G HN 0.654 nan 8.290 nan 0.000 0.527 35 V N 1.469 121.402 119.914 0.031 0.000 2.461 35 V HA 0.651 4.771 4.120 0.000 0.000 0.275 35 V C 1.051 177.168 176.094 0.038 0.000 1.047 35 V CA 0.368 62.701 62.300 0.056 0.000 0.955 35 V CB 1.238 33.124 31.823 0.105 0.000 0.988 35 V HN 0.788 nan 8.190 nan 0.000 0.471 36 G N 3.398 112.214 108.800 0.027 0.000 2.473 36 G HA2 0.680 4.640 3.960 0.000 0.000 0.321 36 G HA3 0.680 4.640 3.960 0.000 0.000 0.321 36 G C -1.359 173.502 174.900 -0.064 0.000 1.200 36 G CA -0.547 44.544 45.100 -0.015 0.000 0.963 36 G HN 0.552 nan 8.290 nan 0.000 0.483 37 V N -0.091 119.741 119.914 -0.137 0.000 2.656 37 V HA 0.881 5.002 4.120 0.000 0.000 0.307 37 V C 0.450 176.301 176.094 -0.405 0.000 1.051 37 V CA -0.270 61.859 62.300 -0.285 0.000 0.893 37 V CB 1.857 33.491 31.823 -0.315 0.000 0.999 37 V HN 1.150 nan 8.190 nan 0.000 0.426 38 G N 2.511 111.000 108.800 -0.518 0.000 2.612 38 G HA2 0.812 4.772 3.960 0.000 0.000 0.298 38 G HA3 0.812 4.772 3.960 0.000 0.000 0.298 38 G C -1.872 172.705 174.900 -0.538 0.000 1.336 38 G CA -0.405 44.440 45.100 -0.424 0.000 0.953 38 G HN 0.325 nan 8.290 nan 0.000 0.482 39 F N -0.666 119.262 119.950 -0.037 0.000 2.599 39 F HA 0.678 5.205 4.527 0.000 0.000 0.311 39 F C -0.114 175.668 175.800 -0.031 0.000 1.076 39 F CA -0.908 57.072 58.000 -0.032 0.000 0.937 39 F CB 3.088 42.075 39.000 -0.020 0.000 1.282 39 F HN 0.443 nan 8.300 nan 0.000 0.460 40 Q N 1.223 121.137 119.800 0.189 0.000 2.304 40 Q HA 0.645 4.985 4.340 0.000 0.000 0.270 40 Q C -1.631 174.415 176.000 0.076 0.000 1.035 40 Q CA -0.283 55.576 55.803 0.094 0.000 0.781 40 Q CB 2.158 30.924 28.738 0.046 0.000 1.261 40 Q HN 0.657 nan 8.270 nan 0.000 0.444 41 T N 5.044 119.622 114.554 0.041 0.000 2.841 41 T HA 0.611 4.961 4.350 0.000 0.000 0.285 41 T C -0.517 174.183 174.700 -0.001 0.000 0.991 41 T CA -0.382 61.720 62.100 0.004 0.000 0.966 41 T CB 0.505 69.354 68.868 -0.032 0.000 0.962 41 T HN 0.592 nan 8.240 nan 0.000 0.438 42 I N 4.196 124.761 120.570 -0.007 0.000 2.390 42 I HA 0.471 4.641 4.170 0.000 0.000 0.283 42 I C -0.647 175.459 176.117 -0.018 0.000 1.016 42 I CA -0.495 60.800 61.300 -0.008 0.000 1.151 42 I CB 1.029 39.026 38.000 -0.005 0.000 1.293 42 I HN 0.481 nan 8.210 nan 0.000 0.458 43 I N 6.488 127.049 120.570 -0.016 0.000 2.466 43 I HA 0.330 4.500 4.170 0.000 0.000 0.279 43 I C -0.446 175.662 176.117 -0.014 0.000 1.033 43 I CA -0.315 60.974 61.300 -0.018 0.000 1.123 43 I CB 1.271 39.260 38.000 -0.018 0.000 1.237 43 I HN 0.550 nan 8.210 nan 0.000 0.460 44 E N 4.982 125.171 120.200 -0.018 0.000 2.227 44 E HA 0.410 4.760 4.350 0.000 0.000 0.268 44 E C -0.227 176.365 176.600 -0.013 0.000 0.907 44 E CA -0.678 55.710 56.400 -0.020 0.000 0.786 44 E CB 1.838 31.517 29.700 -0.034 0.000 1.191 44 E HN 0.420 nan 8.360 nan 0.000 0.411 45 N N 1.860 120.560 118.700 -0.000 0.000 2.200 45 N HA 0.022 4.762 4.740 0.000 0.000 0.224 45 N C -0.938 174.605 175.510 0.056 0.000 1.179 45 N CA 0.202 53.278 53.050 0.042 0.000 0.877 45 N CB 0.856 39.381 38.487 0.063 0.000 1.072 45 N HN 0.586 nan 8.380 nan 0.000 0.519 46 E N 0.523 120.678 120.200 -0.075 0.000 2.314 46 E HA 0.488 4.838 4.350 0.000 0.000 0.272 46 E C -3.105 173.286 176.600 -0.349 0.000 0.884 46 E CA -1.972 54.252 56.400 -0.294 0.000 0.753 46 E CB 2.273 31.874 29.700 -0.166 0.000 1.213 46 E HN -0.229 nan 8.360 nan 0.000 0.432 47 P HA 0.122 nan 4.420 nan 0.000 0.271 47 P C -0.656 176.517 177.300 -0.212 0.000 1.218 47 P CA -0.221 62.665 63.100 -0.357 0.000 0.780 47 P CB 0.530 31.981 31.700 -0.415 0.000 0.901 48 R N 2.772 123.194 120.500 -0.130 0.000 2.615 48 R HA 0.280 4.620 4.340 0.000 0.000 0.270 48 R C -2.033 174.226 176.300 -0.069 0.000 1.081 48 R CA -1.542 54.511 56.100 -0.079 0.000 1.154 48 R CB -0.670 29.603 30.300 -0.046 0.000 1.063 48 R HN 0.371 nan 8.270 nan 0.000 0.519 49 P HA -0.012 nan 4.420 nan 0.000 0.262 49 P C 0.331 177.617 177.300 -0.023 0.000 1.199 49 P CA 0.987 64.067 63.100 -0.033 0.000 0.763 49 P CB 0.581 32.269 31.700 -0.021 0.000 0.790 50 G N 2.095 110.882 108.800 -0.021 0.000 2.194 50 G HA2 -0.190 3.770 3.960 0.000 0.000 0.236 50 G HA3 -0.190 3.770 3.960 0.000 0.000 0.236 50 G C 0.287 175.182 174.900 -0.009 0.000 0.987 50 G CA -0.440 44.655 45.100 -0.008 0.000 0.635 50 G HN 0.494 nan 8.290 nan 0.000 0.520 51 R N -0.065 120.418 120.500 -0.028 0.000 2.782 51 R HA 0.701 5.041 4.340 0.000 0.000 0.258 51 R C 0.886 177.156 176.300 -0.051 0.000 1.055 51 R CA -0.610 55.471 56.100 -0.031 0.000 1.065 51 R CB 0.663 30.938 30.300 -0.042 0.000 1.172 51 R HN 0.242 nan 8.270 nan 0.000 0.510 52 K N 0.757 121.137 120.400 -0.033 0.000 2.391 52 K HA 0.231 4.551 4.320 0.000 0.000 0.197 52 K C 0.177 176.762 176.600 -0.024 0.000 1.087 52 K CA 0.310 56.590 56.287 -0.013 0.000 1.012 52 K CB 0.888 33.409 32.500 0.035 0.000 0.925 52 K HN 0.288 nan 8.250 nan 0.000 0.547 53 R N 1.232 121.704 120.500 -0.048 0.000 2.807 53 R HA 0.358 4.698 4.340 0.000 0.000 0.276 53 R C -2.840 173.406 176.300 -0.091 0.000 0.979 53 R CA -2.173 53.907 56.100 -0.034 0.000 0.928 53 R CB 1.185 31.483 30.300 -0.003 0.000 1.191 53 R HN -0.147 nan 8.270 nan 0.000 0.471 54 P HA 0.134 nan 4.420 nan 0.000 0.274 54 P C -1.110 176.151 177.300 -0.065 0.000 1.246 54 P CA -0.490 62.555 63.100 -0.091 0.000 0.795 54 P CB 0.749 32.420 31.700 -0.047 0.000 1.006 55 A N 2.387 125.170 122.820 -0.062 0.000 2.274 55 A HA 0.600 4.920 4.320 0.000 0.000 0.309 55 A C -0.154 177.402 177.584 -0.045 0.000 1.226 55 A CA -0.354 51.650 52.037 -0.054 0.000 0.853 55 A CB -0.080 18.895 19.000 -0.042 0.000 1.146 55 A HN 0.396 nan 8.150 nan 0.000 0.518 56 R N 1.596 122.064 120.500 -0.053 0.000 2.576 56 R HA 0.601 4.941 4.340 0.000 0.000 0.283 56 R C -0.480 175.787 176.300 -0.056 0.000 1.493 56 R CA 0.132 56.204 56.100 -0.046 0.000 1.170 56 R CB 1.546 31.820 30.300 -0.043 0.000 1.189 56 R HN 0.772 nan 8.270 nan 0.000 0.542 57 S N 0.013 115.688 115.700 -0.043 0.000 2.800 57 S HA 0.936 5.406 4.470 0.000 0.000 0.293 57 S C -1.058 173.532 174.600 -0.017 0.000 1.209 57 S CA -0.108 58.068 58.200 -0.040 0.000 0.884 57 S CB 1.567 64.738 63.200 -0.049 0.000 1.244 57 S HN 0.669 nan 8.310 nan 0.000 0.540 58 G N -0.410 108.389 108.800 -0.001 0.000 2.323 58 G HA2 0.478 4.438 3.960 0.000 0.000 0.291 58 G HA3 0.478 4.438 3.960 0.000 0.000 0.291 58 G C -2.190 172.735 174.900 0.041 0.000 1.278 58 G CA 0.161 45.274 45.100 0.023 0.000 0.860 58 G HN 1.215 nan 8.290 nan 0.000 0.504 59 V N -0.173 119.783 119.914 0.069 0.000 2.808 59 V HA 0.734 4.854 4.120 0.000 0.000 0.308 59 V C -0.367 175.799 176.094 0.120 0.000 1.099 59 V CA -0.660 61.679 62.300 0.065 0.000 0.920 59 V CB 1.898 33.735 31.823 0.023 0.000 1.014 59 V HN 0.924 nan 8.190 nan 0.000 0.425 60 T N 3.305 117.920 114.554 0.101 0.000 2.823 60 T HA 0.805 5.156 4.350 0.000 0.000 0.279 60 T C -0.248 174.414 174.700 -0.063 0.000 0.998 60 T CA -0.314 61.837 62.100 0.085 0.000 0.994 60 T CB 1.702 70.680 68.868 0.182 0.000 0.960 60 T HN 1.067 nan 8.240 nan 0.000 0.448 61 A N 3.329 126.040 122.820 -0.183 0.000 2.359 61 A HA 0.813 5.133 4.320 0.000 0.000 0.303 61 A C -0.861 176.616 177.584 -0.177 0.000 1.066 61 A CA -0.672 51.256 52.037 -0.181 0.000 0.730 61 A CB 0.646 19.496 19.000 -0.250 0.000 1.211 61 A HN 0.837 nan 8.150 nan 0.000 0.439 62 I N 3.005 123.523 120.570 -0.087 0.000 2.382 62 I HA 0.359 4.529 4.170 0.000 0.000 0.286 62 I C -0.741 175.382 176.117 0.009 0.000 1.002 62 I CA -0.306 60.981 61.300 -0.022 0.000 1.135 62 I CB 1.594 39.641 38.000 0.077 0.000 1.288 62 I HN 0.519 nan 8.210 nan 0.000 0.448 63 L N 8.762 129.993 121.223 0.014 0.000 2.343 63 L HA 0.580 4.920 4.340 0.000 0.000 0.278 63 L C -2.482 174.415 176.870 0.045 0.000 0.996 63 L CA -1.685 53.183 54.840 0.047 0.000 0.831 63 L CB 2.337 44.446 42.059 0.084 0.000 1.232 63 L HN 0.253 nan 8.230 nan 0.000 0.413 64 P HA 0.159 nan 4.420 nan 0.000 0.274 64 P C -0.697 176.597 177.300 -0.010 0.000 1.231 64 P CA 0.141 63.184 63.100 -0.095 0.000 0.790 64 P CB 0.295 31.815 31.700 -0.300 0.000 0.951 65 H N 0.587 119.689 119.070 0.053 0.000 2.604 65 H HA -0.159 4.397 4.556 0.000 0.000 0.321 65 H C 1.292 176.666 175.328 0.075 0.000 1.132 65 H CA 0.973 57.047 56.048 0.043 0.000 1.129 65 H CB -1.515 28.246 29.762 -0.001 0.000 1.526 65 H HN 0.594 nan 8.280 nan 0.000 0.415 66 M N -0.804 118.892 119.600 0.159 0.000 2.358 66 M HA -0.147 4.333 4.480 0.000 0.000 0.264 66 M C 2.101 178.490 176.300 0.147 0.000 1.064 66 M CA 2.166 57.562 55.300 0.159 0.000 1.093 66 M CB -0.112 32.556 32.600 0.113 0.000 1.401 66 M HN 0.312 nan 8.290 nan 0.000 0.440 67 Q N 1.152 121.028 119.800 0.127 0.000 2.311 67 Q HA 0.072 4.412 4.340 0.000 0.000 0.203 67 Q C 0.629 176.684 176.000 0.092 0.000 0.954 67 Q CA 0.962 56.821 55.803 0.094 0.000 0.885 67 Q CB -0.395 28.388 28.738 0.076 0.000 0.963 67 Q HN 0.541 nan 8.270 nan 0.000 0.471 68 S N 0.830 116.600 115.700 0.117 0.000 2.560 68 S HA 0.007 4.477 4.470 0.000 0.000 0.284 68 S C 0.666 175.348 174.600 0.137 0.000 1.327 68 S CA -0.190 58.060 58.200 0.084 0.000 1.055 68 S CB 0.749 63.972 63.200 0.039 0.000 0.868 68 S HN 0.389 nan 8.310 nan 0.000 0.506 69 E N 1.369 121.618 120.200 0.083 0.000 2.371 69 E HA 0.014 4.364 4.350 0.000 0.000 0.194 69 E C 0.492 177.207 176.600 0.191 0.000 1.012 69 E CA 0.530 56.992 56.400 0.103 0.000 0.860 69 E CB 0.229 29.946 29.700 0.028 0.000 0.811 69 E HN 0.792 nan 8.360 nan 0.000 0.502 70 T N -0.866 113.734 114.554 0.076 0.000 2.908 70 T HA 0.424 4.774 4.350 0.000 0.000 0.290 70 T C -2.927 171.582 174.700 -0.318 0.000 1.034 70 T CA -2.708 59.337 62.100 -0.092 0.000 1.010 70 T CB 1.993 70.774 68.868 -0.144 0.000 1.068 70 T HN -0.308 nan 8.240 nan 0.000 0.481 71 P HA 0.321 nan 4.420 nan 0.000 0.267 71 P C -0.888 176.229 177.300 -0.306 0.000 1.205 71 P CA -0.422 62.320 63.100 -0.596 0.000 0.765 71 P CB 0.456 31.824 31.700 -0.554 0.000 0.828 72 V N 6.543 126.326 119.914 -0.218 0.000 2.384 72 V HA 0.311 4.431 4.120 0.000 0.000 0.287 72 V C -2.118 173.839 176.094 -0.230 0.000 1.020 72 V CA -2.206 59.958 62.300 -0.227 0.000 0.850 72 V CB 1.392 33.055 31.823 -0.266 0.000 0.987 72 V HN 0.468 nan 8.190 nan 0.000 0.436 73 P HA 0.121 nan 4.420 nan 0.000 0.265 73 P C -0.664 176.364 177.300 -0.453 0.000 1.193 73 P CA 0.197 63.031 63.100 -0.443 0.000 0.765 73 P CB 0.714 31.918 31.700 -0.826 0.000 0.823 74 V N 5.721 125.358 119.914 -0.463 0.000 2.444 74 V HA 0.249 4.369 4.120 0.000 0.000 0.294 74 V C -0.489 175.447 176.094 -0.265 0.000 1.022 74 V CA -0.674 61.403 62.300 -0.372 0.000 0.850 74 V CB 0.471 31.991 31.823 -0.505 0.000 0.992 74 V HN 0.381 nan 8.190 nan 0.000 0.426 75 Y N 3.479 123.815 120.300 0.060 0.000 2.683 75 Y HA 0.463 5.013 4.550 0.000 0.000 0.340 75 Y C 0.723 176.733 175.900 0.183 0.000 1.245 75 Y CA 0.886 59.064 58.100 0.129 0.000 1.485 75 Y CB 0.579 39.091 38.460 0.086 0.000 1.328 75 Y HN 0.773 nan 8.280 nan 0.000 0.603 76 A N 0.764 123.812 122.820 0.380 0.000 2.599 76 A HA 0.879 5.199 4.320 0.000 0.000 0.290 76 A C -0.629 177.115 177.584 0.268 0.000 1.101 76 A CA -0.164 52.102 52.037 0.381 0.000 0.674 76 A CB 1.426 20.764 19.000 0.565 0.000 1.277 76 A HN 1.007 nan 8.150 nan 0.000 0.419 77 G N -0.864 108.080 108.800 0.241 0.000 2.706 77 G HA2 0.635 4.595 3.960 0.000 0.000 0.297 77 G HA3 0.635 4.595 3.960 0.000 0.000 0.297 77 G C -1.731 173.274 174.900 0.175 0.000 1.403 77 G CA -0.416 44.788 45.100 0.173 0.000 0.954 77 G HN 1.166 nan 8.290 nan 0.000 0.500 78 V N 1.371 121.373 119.914 0.146 0.000 2.769 78 V HA 0.549 4.670 4.120 0.000 0.000 0.312 78 V C -0.715 175.493 176.094 0.191 0.000 1.061 78 V CA -0.825 61.560 62.300 0.141 0.000 0.931 78 V CB 2.014 33.875 31.823 0.063 0.000 1.010 78 V HN 0.863 nan 8.190 nan 0.000 0.433 79 H N 4.514 123.636 119.070 0.086 0.000 2.727 79 H HA 0.442 4.998 4.556 0.000 0.000 0.330 79 H C -0.494 174.779 175.328 -0.092 0.000 0.986 79 H CA -0.783 55.305 56.048 0.067 0.000 1.251 79 H CB 1.234 31.119 29.762 0.206 0.000 1.493 79 H HN 0.611 nan 8.280 nan 0.000 0.515 80 R N 5.476 125.645 120.500 -0.552 0.000 2.391 80 R HA 0.021 4.362 4.340 0.000 0.000 0.310 80 R C -0.003 175.848 176.300 -0.747 0.000 1.174 80 R CA -0.313 55.464 56.100 -0.539 0.000 1.118 80 R CB -0.128 30.000 30.300 -0.287 0.000 1.134 80 R HN 0.547 nan 8.270 nan 0.000 0.524 81 F N 3.053 122.444 119.950 -0.931 0.000 2.113 81 F HA 0.018 4.545 4.527 0.000 0.000 0.297 81 F C 0.411 176.036 175.800 -0.291 0.000 1.103 81 F CA 1.185 58.853 58.000 -0.553 0.000 1.248 81 F CB 0.318 39.118 39.000 -0.333 0.000 0.999 81 F HN 0.413 nan 8.300 nan 0.000 0.475 82 N N -0.495 118.039 118.700 -0.277 0.000 2.571 82 N HA 0.148 4.888 4.740 0.000 0.000 0.286 82 N C -0.095 175.318 175.510 -0.162 0.000 1.138 82 N CA 0.216 53.123 53.050 -0.239 0.000 0.859 82 N CB 1.312 39.722 38.487 -0.129 0.000 1.414 82 N HN 0.197 nan 8.380 nan 0.000 0.529 83 G N 2.081 110.786 108.800 -0.159 0.000 3.375 83 G HA2 -0.102 3.858 3.960 0.000 0.000 0.247 83 G HA3 -0.102 3.858 3.960 0.000 0.000 0.247 83 G C 0.506 175.358 174.900 -0.080 0.000 1.343 83 G CA -0.205 44.821 45.100 -0.123 0.000 1.368 83 G HN 0.528 nan 8.290 nan 0.000 0.549 84 N N 1.287 119.947 118.700 -0.066 0.000 3.250 84 N HA 0.357 5.097 4.740 0.000 0.000 0.307 84 N C 0.415 175.905 175.510 -0.035 0.000 1.355 84 N CA 0.340 53.362 53.050 -0.047 0.000 1.192 84 N CB 0.106 38.568 38.487 -0.041 0.000 1.478 84 N HN 0.349 nan 8.380 nan 0.000 0.543 85 G N -0.283 108.498 108.800 -0.031 0.000 2.451 85 G HA2 0.289 4.250 3.960 0.000 0.000 0.292 85 G HA3 0.289 4.250 3.960 0.000 0.000 0.292 85 G C -1.880 173.012 174.900 -0.013 0.000 1.427 85 G CA -0.553 44.540 45.100 -0.012 0.000 0.792 85 G HN 0.210 nan 8.290 nan 0.000 0.498 86 E N -0.375 119.828 120.200 0.006 0.000 2.212 86 E HA 0.766 5.116 4.350 0.000 0.000 0.268 86 E C -0.686 175.913 176.600 -0.002 0.000 0.902 86 E CA -0.772 55.631 56.400 0.005 0.000 0.779 86 E CB 1.729 31.449 29.700 0.034 0.000 1.172 86 E HN 0.621 nan 8.360 nan 0.000 0.409 87 M N 4.309 123.896 119.600 -0.022 0.000 2.122 87 M HA 0.310 4.790 4.480 0.000 0.000 0.269 87 M C -1.042 175.234 176.300 -0.040 0.000 0.954 87 M CA -0.390 54.891 55.300 -0.032 0.000 0.998 87 M CB 1.247 33.814 32.600 -0.056 0.000 1.755 87 M HN 0.722 nan 8.290 nan 0.000 0.459 88 T N 0.532 115.086 114.554 0.000 0.000 2.816 88 T HA 0.665 5.015 4.350 0.000 0.000 0.282 88 T C 1.090 175.786 174.700 -0.005 0.000 0.993 88 T CA 0.523 62.640 62.100 0.028 0.000 0.994 88 T CB 1.333 70.299 68.868 0.163 0.000 1.025 88 T HN 1.291 nan 8.240 nan 0.000 0.529 89 G N 0.167 108.988 108.800 0.035 0.000 2.162 89 G HA2 -0.332 3.628 3.960 0.000 0.000 0.260 89 G HA3 -0.332 3.628 3.960 0.000 0.000 0.260 89 G C 0.844 175.744 174.900 -0.000 0.000 0.976 89 G CA 1.167 46.300 45.100 0.056 0.000 0.655 89 G HN 1.566 nan 8.290 nan 0.000 0.533 90 T N -3.460 111.013 114.554 -0.136 0.000 3.043 90 T HA 0.066 4.416 4.350 0.000 0.000 0.263 90 T C 1.836 176.481 174.700 -0.092 0.000 1.094 90 T CA 1.430 63.448 62.100 -0.136 0.000 1.127 90 T CB -0.307 68.459 68.868 -0.171 0.000 0.905 90 T HN 0.481 nan 8.240 nan 0.000 0.490 91 H N -0.338 118.806 119.070 0.122 0.000 2.353 91 H HA -0.015 4.542 4.556 0.000 0.000 0.300 91 H C 1.850 177.322 175.328 0.239 0.000 1.090 91 H CA 1.370 57.510 56.048 0.152 0.000 1.327 91 H CB -0.465 29.386 29.762 0.147 0.000 1.383 91 H HN 0.555 nan 8.280 nan 0.000 0.508 92 W N 1.209 122.580 121.300 0.119 0.000 2.658 92 W HA -0.010 4.650 4.660 0.000 0.000 0.263 92 W C 1.783 178.280 176.519 -0.037 0.000 1.274 92 W CA 0.216 57.581 57.345 0.033 0.000 1.343 92 W CB 0.058 29.530 29.460 0.020 0.000 1.106 92 W HN 0.064 nan 8.180 nan 0.000 0.615 93 I N 0.664 121.253 120.570 0.031 0.000 2.226 93 I HA -0.312 3.858 4.170 0.000 0.000 0.245 93 I C 2.398 178.478 176.117 -0.062 0.000 1.100 93 I CA 1.265 62.549 61.300 -0.026 0.000 1.374 93 I CB -0.405 37.644 38.000 0.082 0.000 1.057 93 I HN -0.135 nan 8.210 nan 0.000 0.413 94 E N 0.593 120.790 120.200 -0.006 0.000 2.047 94 E HA -0.199 4.152 4.350 0.000 0.000 0.191 94 E C 1.597 178.162 176.600 -0.059 0.000 0.987 94 E CA 1.324 57.729 56.400 0.009 0.000 0.799 94 E CB -0.156 29.586 29.700 0.070 0.000 0.752 94 E HN 0.485 nan 8.360 nan 0.000 0.449 95 D N -0.735 119.596 120.400 -0.115 0.000 2.259 95 D HA 0.007 4.647 4.640 0.000 0.000 0.216 95 D C 1.872 177.790 176.300 -0.637 0.000 0.961 95 D CA 1.088 54.965 54.000 -0.206 0.000 0.878 95 D CB -0.226 40.597 40.800 0.039 0.000 1.009 95 D HN 0.226 nan 8.370 nan 0.000 0.490 96 G N -0.495 107.466 108.800 -1.399 0.000 2.494 96 G HA2 0.205 4.165 3.960 0.000 0.000 0.216 96 G HA3 0.205 4.165 3.960 0.000 0.000 0.216 96 G C 1.255 175.725 174.900 -0.716 0.000 1.140 96 G CA 0.786 44.764 45.100 -1.870 0.000 0.801 96 G HN 0.461 nan 8.290 nan 0.000 0.536 97 G N -1.580 106.938 108.800 -0.470 0.000 2.175 97 G HA2 -0.161 3.799 3.960 0.000 0.000 0.244 97 G HA3 -0.161 3.799 3.960 0.000 0.000 0.244 97 G C 0.171 175.195 174.900 0.207 0.000 0.982 97 G CA 0.804 45.904 45.100 -0.000 0.000 0.641 97 G HN 1.450 nan 8.290 nan 0.000 0.527 98 Y N -1.546 118.756 120.300 0.003 0.000 2.705 98 Y HA 0.810 5.360 4.550 0.000 0.000 0.332 98 Y C -0.493 175.501 175.900 0.157 0.000 1.221 98 Y CA -2.354 55.761 58.100 0.025 0.000 1.059 98 Y CB 0.528 38.874 38.460 -0.191 0.000 1.298 98 Y HN 0.808 nan 8.280 nan 0.000 0.459 99 F N 0.077 120.159 119.950 0.221 0.000 2.650 99 F HA 0.894 5.421 4.527 0.000 0.000 0.320 99 F C -2.358 173.554 175.800 0.187 0.000 1.091 99 F CA -1.386 56.719 58.000 0.175 0.000 0.962 99 F CB 1.370 40.410 39.000 0.066 0.000 1.363 99 F HN 0.480 nan 8.300 nan 0.000 0.482 100 L N 1.450 122.846 121.223 0.289 0.000 2.341 100 L HA 0.891 5.231 4.340 0.000 0.000 0.267 100 L C 0.502 177.497 176.870 0.208 0.000 1.009 100 L CA 0.122 55.022 54.840 0.101 0.000 0.819 100 L CB 1.014 43.160 42.059 0.146 0.000 1.323 100 L HN 1.245 nan 8.230 nan 0.000 0.425 101 G N 2.641 111.512 108.800 0.118 0.000 2.693 101 G HA2 -0.100 3.860 3.960 0.000 0.000 0.226 101 G HA3 -0.100 3.860 3.960 0.000 0.000 0.226 101 G C -2.916 172.137 174.900 0.255 0.000 1.354 101 G CA -0.564 44.681 45.100 0.242 0.000 0.873 101 G HN 0.503 nan 8.290 nan 0.000 0.562 102 P HA 0.566 nan 4.420 nan 0.000 0.281 102 P C -0.389 176.944 177.300 0.056 0.000 1.264 102 P CA -0.496 62.668 63.100 0.107 0.000 0.824 102 P CB 1.616 33.303 31.700 -0.022 0.000 1.092 103 V N 1.872 121.789 119.914 0.006 0.000 2.383 103 V HA 0.207 4.327 4.120 0.000 0.000 0.275 103 V C 0.404 176.466 176.094 -0.053 0.000 1.036 103 V CA -0.418 61.837 62.300 -0.075 0.000 0.889 103 V CB 1.376 33.172 31.823 -0.045 0.000 0.985 103 V HN 0.244 nan 8.190 nan 0.000 0.459 104 V N 6.851 126.729 119.914 -0.061 0.000 2.459 104 V HA 0.565 4.685 4.120 0.000 0.000 0.295 104 V C -0.226 175.860 176.094 -0.013 0.000 1.029 104 V CA -0.461 61.810 62.300 -0.049 0.000 0.874 104 V CB 1.863 33.649 31.823 -0.062 0.000 0.985 104 V HN 0.688 nan 8.190 nan 0.000 0.438 105 I N 3.667 124.242 120.570 0.009 0.000 2.498 105 I HA 0.713 4.883 4.170 0.000 0.000 0.290 105 I C 0.021 176.164 176.117 0.043 0.000 1.032 105 I CA -0.127 61.193 61.300 0.034 0.000 1.073 105 I CB 2.145 40.176 38.000 0.052 0.000 1.251 105 I HN 0.691 nan 8.210 nan 0.000 0.426 106 T N 3.053 117.633 114.554 0.043 0.000 2.587 106 T HA 0.362 4.712 4.350 0.000 0.000 0.282 106 T C -1.261 173.457 174.700 0.030 0.000 1.018 106 T CA -0.581 61.543 62.100 0.040 0.000 1.120 106 T CB 1.210 70.105 68.868 0.045 0.000 1.538 106 T HN 0.814 nan 8.240 nan 0.000 0.480 107 N N -0.247 118.461 118.700 0.013 0.000 2.458 107 N HA 0.343 5.083 4.740 0.000 0.000 0.271 107 N C 1.023 176.541 175.510 0.014 0.000 1.210 107 N CA 0.082 53.120 53.050 -0.019 0.000 0.978 107 N CB 0.313 38.745 38.487 -0.091 0.000 1.206 107 N HN 0.449 nan 8.380 nan 0.000 0.536 108 T N -0.837 113.717 114.554 -0.001 0.000 2.699 108 T HA -0.173 4.177 4.350 0.000 0.000 0.268 108 T C 0.700 175.519 174.700 0.199 0.000 1.036 108 T CA 1.509 63.651 62.100 0.069 0.000 1.147 108 T CB -0.507 68.390 68.868 0.048 0.000 0.862 108 T HN 0.533 nan 8.240 nan 0.000 0.446 109 H N -0.124 118.964 119.070 0.029 0.000 2.526 109 H HA 0.392 4.949 4.556 0.000 0.000 0.274 109 H C 2.036 177.439 175.328 0.124 0.000 0.999 109 H CA -0.246 55.829 56.048 0.045 0.000 1.157 109 H CB -0.356 29.299 29.762 -0.179 0.000 1.407 109 H HN 0.432 nan 8.280 nan 0.000 0.568 110 G N 0.022 108.938 108.800 0.194 0.000 3.088 110 G HA2 0.010 3.970 3.960 0.000 0.000 0.217 110 G HA3 0.010 3.970 3.960 0.000 0.000 0.217 110 G C 1.520 176.518 174.900 0.164 0.000 1.159 110 G CA -0.195 45.015 45.100 0.183 0.000 0.760 110 G HN 0.157 nan 8.290 nan 0.000 0.550 111 I N 2.271 122.938 120.570 0.162 0.000 2.151 111 I HA -0.174 3.996 4.170 0.000 0.000 0.243 111 I C 2.876 179.090 176.117 0.162 0.000 1.080 111 I CA 1.768 63.155 61.300 0.144 0.000 1.339 111 I CB -1.228 36.849 38.000 0.128 0.000 1.039 111 I HN 0.227 nan 8.210 nan 0.000 0.409 112 G N 0.164 109.051 108.800 0.145 0.000 2.459 112 G HA2 -0.327 3.633 3.960 0.000 0.000 0.217 112 G HA3 -0.327 3.633 3.960 0.000 0.000 0.217 112 G C 1.652 176.649 174.900 0.162 0.000 1.183 112 G CA 1.074 46.245 45.100 0.118 0.000 0.776 112 G HN 0.269 nan 8.290 nan 0.000 0.552 113 M N 1.525 121.214 119.600 0.148 0.000 2.175 113 M HA 0.226 4.706 4.480 0.000 0.000 0.264 113 M C 2.616 179.028 176.300 0.187 0.000 1.063 113 M CA 1.357 56.752 55.300 0.157 0.000 1.119 113 M CB -0.491 32.187 32.600 0.130 0.000 1.377 113 M HN 0.241 nan 8.290 nan 0.000 0.415 114 A N -1.189 121.726 122.820 0.158 0.000 1.930 114 A HA -0.213 4.107 4.320 0.000 0.000 0.217 114 A C 2.302 179.965 177.584 0.131 0.000 1.175 114 A CA 1.851 53.958 52.037 0.116 0.000 0.627 114 A CB -1.216 17.835 19.000 0.084 0.000 0.815 114 A HN 0.707 nan 8.150 nan 0.000 0.443 115 H N -1.047 118.077 119.070 0.089 0.000 2.326 115 H HA -0.197 4.359 4.556 0.000 0.000 0.301 115 H C 2.088 177.479 175.328 0.105 0.000 1.081 115 H CA 2.283 58.382 56.048 0.085 0.000 1.334 115 H CB -0.424 29.389 29.762 0.085 0.000 1.385 115 H HN 0.738 nan 8.280 nan 0.000 0.504 116 H N 0.391 119.609 119.070 0.247 0.000 2.290 116 H HA -0.093 4.463 4.556 0.000 0.000 0.298 116 H C 2.224 177.613 175.328 0.102 0.000 1.087 116 H CA 2.518 58.665 56.048 0.164 0.000 1.291 116 H CB -0.394 29.434 29.762 0.111 0.000 1.369 116 H HN 0.385 nan 8.280 nan 0.000 0.492 117 A N -0.760 122.121 122.820 0.103 0.000 1.972 117 A HA -0.149 4.171 4.320 0.000 0.000 0.219 117 A C 2.477 180.079 177.584 0.030 0.000 1.169 117 A CA 1.915 53.972 52.037 0.033 0.000 0.635 117 A CB -0.909 18.142 19.000 0.085 0.000 0.810 117 A HN 0.595 nan 8.150 nan 0.000 0.446 118 T N -0.348 114.212 114.554 0.010 0.000 2.777 118 T HA -0.099 4.252 4.350 0.000 0.000 0.266 118 T C 1.892 176.631 174.700 0.066 0.000 1.040 118 T CA 1.511 63.627 62.100 0.027 0.000 1.141 118 T CB -0.408 68.424 68.868 -0.060 0.000 0.868 118 T HN 0.164 nan 8.240 nan 0.000 0.444 119 V N 1.823 121.708 119.914 -0.048 0.000 2.295 119 V HA -0.188 3.932 4.120 0.000 0.000 0.246 119 V C 2.691 178.749 176.094 -0.059 0.000 1.049 119 V CA 1.596 63.854 62.300 -0.071 0.000 1.024 119 V CB -0.562 31.219 31.823 -0.070 0.000 0.648 119 V HN 0.396 nan 8.190 nan 0.000 0.447 120 R N -1.419 119.028 120.500 -0.087 0.000 2.096 120 R HA -0.232 4.108 4.340 0.000 0.000 0.235 120 R C 2.126 178.447 176.300 0.035 0.000 1.127 120 R CA 2.009 58.067 56.100 -0.070 0.000 0.968 120 R CB -0.560 29.654 30.300 -0.143 0.000 0.861 120 R HN 0.687 nan 8.270 nan 0.000 0.440 121 W N 1.494 122.743 121.300 -0.084 0.000 2.358 121 W HA -0.118 4.542 4.660 0.000 0.000 0.303 121 W C 2.031 178.528 176.519 -0.038 0.000 1.208 121 W CA 1.334 58.646 57.345 -0.056 0.000 1.274 121 W CB -0.123 29.311 29.460 -0.043 0.000 1.138 121 W HN -0.063 nan 8.180 nan 0.000 0.515 122 M N -0.536 119.166 119.600 0.170 0.000 2.132 122 M HA -0.214 4.266 4.480 0.000 0.000 0.263 122 M C 1.820 178.131 176.300 0.019 0.000 1.065 122 M CA 1.565 56.932 55.300 0.112 0.000 1.122 122 M CB -0.768 31.947 32.600 0.191 0.000 1.365 122 M HN -0.155 nan 8.290 nan 0.000 0.411 123 V N 0.403 120.267 119.914 -0.082 0.000 2.407 123 V HA -0.265 3.855 4.120 0.000 0.000 0.248 123 V C 1.664 177.745 176.094 -0.021 0.000 1.055 123 V CA 1.739 64.024 62.300 -0.024 0.000 1.049 123 V CB -0.698 31.086 31.823 -0.065 0.000 0.662 123 V HN 0.407 nan 8.190 nan 0.000 0.455 124 D N -0.141 120.180 120.400 -0.132 0.000 2.120 124 D HA -0.122 4.518 4.640 0.000 0.000 0.202 124 D C 2.305 178.416 176.300 -0.316 0.000 0.972 124 D CA 1.184 55.072 54.000 -0.187 0.000 0.837 124 D CB -0.223 40.456 40.800 -0.201 0.000 0.989 124 D HN 0.313 nan 8.370 nan 0.000 0.469 125 R N 0.017 120.150 120.500 -0.611 0.000 2.115 125 R HA -0.105 4.235 4.340 0.000 0.000 0.230 125 R C 0.430 176.309 176.300 -0.702 0.000 1.111 125 R CA 1.131 56.708 56.100 -0.871 0.000 0.976 125 R CB -0.426 28.872 30.300 -1.671 0.000 0.870 125 R HN 0.154 nan 8.270 nan 0.000 0.445 126 Y N 0.001 120.202 120.300 -0.164 0.000 2.724 126 Y HA 0.484 5.034 4.550 0.000 0.000 0.370 126 Y C 1.119 177.017 175.900 -0.003 0.000 0.978 126 Y CA -0.299 57.769 58.100 -0.053 0.000 1.443 126 Y CB 0.270 38.754 38.460 0.040 0.000 1.386 126 Y HN 0.160 nan 8.280 nan 0.000 0.557 127 A N 0.188 123.028 122.820 0.034 0.000 1.940 127 A HA -0.237 4.083 4.320 0.000 0.000 0.219 127 A C 2.374 179.969 177.584 0.018 0.000 1.176 127 A CA 2.211 54.268 52.037 0.033 0.000 0.631 127 A CB -0.720 18.267 19.000 -0.021 0.000 0.814 127 A HN 0.529 nan 8.150 nan 0.000 0.446 128 S N -1.526 114.170 115.700 -0.007 0.000 2.500 128 S HA -0.084 4.386 4.470 0.000 0.000 0.239 128 S C 1.569 176.130 174.600 -0.066 0.000 0.989 128 S CA 1.746 59.927 58.200 -0.031 0.000 0.951 128 S CB -0.611 62.569 63.200 -0.033 0.000 0.759 128 S HN 0.490 nan 8.310 nan 0.000 0.523 129 T N 0.238 114.722 114.554 -0.116 0.000 3.004 129 T HA 0.222 4.572 4.350 0.000 0.000 0.243 129 T C 0.969 175.464 174.700 -0.342 0.000 1.020 129 T CA 0.698 62.620 62.100 -0.297 0.000 1.145 129 T CB -0.267 68.259 68.868 -0.571 0.000 0.876 129 T HN 0.503 nan 8.240 nan 0.000 0.449 130 Y N 1.417 121.716 120.300 -0.001 0.000 2.509 130 Y HA 0.318 4.868 4.550 0.000 0.000 0.270 130 Y C 1.536 177.427 175.900 -0.016 0.000 1.103 130 Y CA -0.026 58.062 58.100 -0.019 0.000 1.278 130 Y CB 0.050 38.511 38.460 0.002 0.000 1.087 130 Y HN 0.153 nan 8.280 nan 0.000 0.542 131 Q N 1.517 121.384 119.800 0.112 0.000 3.135 131 Q HA 0.193 4.533 4.340 0.000 0.000 0.344 131 Q C 0.044 176.055 176.000 0.018 0.000 1.321 131 Q CA -0.139 55.700 55.803 0.060 0.000 1.050 131 Q CB -0.023 28.739 28.738 0.041 0.000 1.498 131 Q HN 0.354 nan 8.270 nan 0.000 0.503 132 T N -4.609 109.947 114.554 0.004 0.000 2.626 132 T HA 0.278 4.628 4.350 0.000 0.000 0.279 132 T C 0.095 174.759 174.700 -0.060 0.000 0.983 132 T CA -0.678 61.402 62.100 -0.034 0.000 1.059 132 T CB 0.987 69.823 68.868 -0.053 0.000 1.396 132 T HN -0.097 nan 8.240 nan 0.000 0.519 133 D N 0.629 120.964 120.400 -0.108 0.000 2.339 133 D HA 0.214 4.854 4.640 0.000 0.000 0.217 133 D C -0.362 175.715 176.300 -0.373 0.000 1.050 133 D CA 0.005 53.890 54.000 -0.192 0.000 0.856 133 D CB -0.016 40.682 40.800 -0.169 0.000 0.922 133 D HN 0.388 nan 8.370 nan 0.000 0.518 134 D N 0.079 120.320 120.400 -0.266 0.000 2.372 134 D HA -0.015 4.625 4.640 0.000 0.000 0.243 134 D C -0.075 176.050 176.300 -0.291 0.000 1.121 134 D CA 0.130 53.941 54.000 -0.314 0.000 0.898 134 D CB 0.549 41.224 40.800 -0.208 0.000 1.202 134 D HN -0.033 nan 8.370 nan 0.000 0.428 135 F N 2.038 121.969 119.950 -0.032 0.000 2.423 135 F HA 0.205 4.733 4.527 0.000 0.000 0.356 135 F C 0.056 175.813 175.800 -0.073 0.000 1.170 135 F CA -0.517 57.507 58.000 0.039 0.000 1.163 135 F CB -0.068 39.008 39.000 0.128 0.000 1.318 135 F HN -0.062 nan 8.300 nan 0.000 0.569 136 L N 3.307 124.594 121.223 0.106 0.000 2.370 136 L HA 0.582 4.922 4.340 0.000 0.000 0.266 136 L C -0.910 175.996 176.870 0.059 0.000 1.002 136 L CA -1.411 53.309 54.840 -0.201 0.000 0.818 136 L CB 1.731 43.701 42.059 -0.149 0.000 1.325 136 L HN 0.558 nan 8.230 nan 0.000 0.418 137 W N 2.533 123.875 121.300 0.069 0.000 2.864 137 W HA 0.885 5.545 4.660 0.000 0.000 0.343 137 W C -1.234 175.299 176.519 0.023 0.000 1.109 137 W CA -0.931 56.428 57.345 0.024 0.000 1.192 137 W CB 0.705 30.160 29.460 -0.008 0.000 1.426 137 W HN 0.231 nan 8.180 nan 0.000 0.529 138 I N 2.827 123.499 120.570 0.169 0.000 2.433 138 I HA 0.395 4.565 4.170 0.000 0.000 0.292 138 I C -0.368 175.841 176.117 0.152 0.000 1.001 138 I CA -1.299 60.038 61.300 0.062 0.000 1.119 138 I CB 1.654 39.562 38.000 -0.153 0.000 1.289 138 I HN 0.444 nan 8.210 nan 0.000 0.438 139 M N 7.945 127.650 119.600 0.175 0.000 1.998 139 M HA 0.340 4.820 4.480 0.000 0.000 0.289 139 M C -2.581 173.793 176.300 0.123 0.000 0.886 139 M CA -1.561 53.858 55.300 0.198 0.000 0.853 139 M CB 1.168 33.925 32.600 0.262 0.000 1.462 139 M HN 0.211 nan 8.290 nan 0.000 0.375 140 P HA 0.245 nan 4.420 nan 0.000 0.276 140 P C -0.582 176.689 177.300 -0.048 0.000 1.252 140 P CA -0.424 62.638 63.100 -0.063 0.000 0.802 140 P CB 1.246 32.822 31.700 -0.207 0.000 1.035 141 V N 2.216 122.076 119.914 -0.090 0.000 2.334 141 V HA 0.185 4.306 4.120 0.000 0.000 0.267 141 V C 0.243 176.277 176.094 -0.100 0.000 1.040 141 V CA -0.312 61.894 62.300 -0.156 0.000 0.866 141 V CB 0.999 32.565 31.823 -0.429 0.000 1.019 141 V HN 0.238 nan 8.190 nan 0.000 0.468 142 V N 4.386 124.287 119.914 -0.022 0.000 2.487 142 V HA 0.921 5.041 4.120 0.000 0.000 0.298 142 V C 0.238 176.346 176.094 0.023 0.000 1.028 142 V CA -0.305 62.004 62.300 0.015 0.000 0.860 142 V CB 1.596 33.469 31.823 0.084 0.000 0.991 142 V HN 0.916 nan 8.190 nan 0.000 0.427 143 A N 4.360 127.190 122.820 0.017 0.000 2.486 143 A HA 1.115 5.436 4.320 0.000 0.000 0.289 143 A C -0.886 176.720 177.584 0.038 0.000 1.176 143 A CA -0.587 51.463 52.037 0.021 0.000 0.757 143 A CB 2.253 21.258 19.000 0.008 0.000 1.337 143 A HN 1.049 nan 8.150 nan 0.000 0.423 144 E N -1.379 118.845 120.200 0.040 0.000 2.437 144 E HA 0.681 5.031 4.350 0.000 0.000 0.280 144 E C -0.725 175.907 176.600 0.052 0.000 1.044 144 E CA -0.321 56.108 56.400 0.049 0.000 0.826 144 E CB 1.237 30.973 29.700 0.060 0.000 1.358 144 E HN 0.904 nan 8.360 nan 0.000 0.459 145 T N -2.226 112.362 114.554 0.056 0.000 2.883 145 T HA 0.523 4.873 4.350 0.000 0.000 0.296 145 T C -1.451 173.302 174.700 0.088 0.000 1.117 145 T CA -0.861 61.285 62.100 0.077 0.000 1.006 145 T CB 0.891 69.805 68.868 0.077 0.000 1.191 145 T HN 0.559 nan 8.240 nan 0.000 0.508 146 Y N 2.367 122.643 120.300 -0.039 0.000 2.350 146 Y HA 0.413 4.963 4.550 0.000 0.000 0.340 146 Y C 0.156 176.013 175.900 -0.070 0.000 1.006 146 Y CA -0.951 57.099 58.100 -0.083 0.000 1.166 146 Y CB 0.859 39.268 38.460 -0.085 0.000 1.168 146 Y HN 0.826 nan 8.280 nan 0.000 0.502 147 D N 2.264 122.328 120.400 -0.560 0.000 2.559 147 D HA 0.147 4.787 4.640 0.000 0.000 0.234 147 D C 1.590 177.508 176.300 -0.636 0.000 1.226 147 D CA 0.156 53.888 54.000 -0.448 0.000 0.830 147 D CB -0.055 40.601 40.800 -0.240 0.000 1.028 147 D HN 0.741 nan 8.370 nan 0.000 0.492 148 G N 0.582 108.596 108.800 -1.311 0.000 2.462 148 G HA2 -0.208 3.752 3.960 0.000 0.000 0.220 148 G HA3 -0.208 3.752 3.960 0.000 0.000 0.220 148 G C 1.508 176.219 174.900 -0.316 0.000 1.121 148 G CA 0.792 45.369 45.100 -0.871 0.000 0.758 148 G HN 0.473 nan 8.290 nan 0.000 0.559 149 A N -0.204 122.489 122.820 -0.212 0.000 1.929 149 A HA 0.244 4.564 4.320 0.000 0.000 0.216 149 A C 2.088 179.623 177.584 -0.081 0.000 1.176 149 A CA 1.076 53.066 52.037 -0.078 0.000 0.628 149 A CB -0.112 18.870 19.000 -0.031 0.000 0.816 149 A HN 0.310 nan 8.150 nan 0.000 0.444 150 L N -1.264 119.893 121.223 -0.109 0.000 2.609 150 L HA 0.292 4.632 4.340 0.000 0.000 0.230 150 L C 0.286 177.105 176.870 -0.085 0.000 1.087 150 L CA 0.454 55.250 54.840 -0.073 0.000 0.874 150 L CB -0.739 41.284 42.059 -0.060 0.000 1.114 150 L HN 0.488 nan 8.230 nan 0.000 0.488 151 N N -0.752 117.865 118.700 -0.138 0.000 2.335 151 N HA 0.102 4.842 4.740 0.000 0.000 0.304 151 N C -0.656 174.768 175.510 -0.142 0.000 1.135 151 N CA -0.420 52.549 53.050 -0.136 0.000 0.817 151 N CB 1.409 39.796 38.487 -0.166 0.000 1.294 151 N HN -0.141 nan 8.380 nan 0.000 0.497 152 D N 2.791 123.124 120.400 -0.112 0.000 2.608 152 D HA 0.062 4.702 4.640 0.000 0.000 0.224 152 D C 1.166 177.378 176.300 -0.147 0.000 1.123 152 D CA 0.047 53.987 54.000 -0.101 0.000 1.030 152 D CB -0.736 40.022 40.800 -0.071 0.000 1.093 152 D HN 0.607 nan 8.370 nan 0.000 0.497 153 I N 1.593 122.043 120.570 -0.201 0.000 2.493 153 I HA -0.190 3.980 4.170 0.000 0.000 0.254 153 I C 0.814 176.720 176.117 -0.351 0.000 1.160 153 I CA 0.682 61.811 61.300 -0.285 0.000 1.445 153 I CB 0.175 37.945 38.000 -0.384 0.000 1.086 153 I HN 0.161 nan 8.210 nan 0.000 0.433 154 N N 0.863 119.432 118.700 -0.220 0.000 2.370 154 N HA 0.079 4.819 4.740 0.000 0.000 0.198 154 N C 1.232 176.668 175.510 -0.124 0.000 1.156 154 N CA 0.647 53.557 53.050 -0.233 0.000 0.839 154 N CB 0.436 38.930 38.487 0.011 0.000 0.989 154 N HN 0.413 nan 8.380 nan 0.000 0.468 155 G N -0.736 107.994 108.800 -0.116 0.000 3.088 155 G HA2 0.056 4.017 3.960 0.000 0.000 0.217 155 G HA3 0.056 4.017 3.960 0.000 0.000 0.217 155 G C -0.078 174.936 174.900 0.190 0.000 1.159 155 G CA -0.463 44.680 45.100 0.072 0.000 0.760 155 G HN 0.188 nan 8.290 nan 0.000 0.550 156 F N 0.109 120.081 119.950 0.037 0.000 2.738 156 F HA -0.172 4.355 4.527 0.000 0.000 0.232 156 F C -0.500 175.311 175.800 0.018 0.000 1.025 156 F CA 0.142 58.164 58.000 0.036 0.000 0.895 156 F CB -1.142 37.875 39.000 0.029 0.000 0.839 156 F HN 0.229 nan 8.300 nan 0.000 0.850 157 P HA -0.043 nan 4.420 nan 0.000 0.219 157 P C 0.544 177.882 177.300 0.064 0.000 1.150 157 P CA 0.883 64.016 63.100 0.055 0.000 0.814 157 P CB 0.312 32.014 31.700 0.003 0.000 0.787 158 V N 2.468 122.427 119.914 0.074 0.000 2.470 158 V HA 0.112 4.232 4.120 0.000 0.000 0.276 158 V C 1.220 177.368 176.094 0.090 0.000 1.040 158 V CA 0.223 62.566 62.300 0.071 0.000 1.008 158 V CB 0.230 32.093 31.823 0.066 0.000 0.990 158 V HN 0.285 nan 8.190 nan 0.000 0.477 159 T N 0.776 115.372 114.554 0.071 0.000 2.910 159 T HA 0.341 4.691 4.350 0.000 0.000 0.279 159 T C 1.052 175.799 174.700 0.077 0.000 0.989 159 T CA -0.184 61.960 62.100 0.073 0.000 0.968 159 T CB 1.465 70.368 68.868 0.057 0.000 1.135 159 T HN 0.655 nan 8.240 nan 0.000 0.562 160 E N 0.206 120.461 120.200 0.091 0.000 2.085 160 E HA -0.145 4.205 4.350 0.000 0.000 0.194 160 E C 2.258 178.903 176.600 0.075 0.000 0.994 160 E CA 1.275 57.740 56.400 0.108 0.000 0.801 160 E CB -0.647 29.142 29.700 0.149 0.000 0.743 160 E HN 0.750 nan 8.360 nan 0.000 0.453 161 A N 1.239 124.097 122.820 0.064 0.000 1.933 161 A HA -0.220 4.100 4.320 0.000 0.000 0.218 161 A C 1.843 179.448 177.584 0.036 0.000 1.175 161 A CA 1.797 53.865 52.037 0.051 0.000 0.628 161 A CB -0.512 18.515 19.000 0.045 0.000 0.814 161 A HN 0.328 nan 8.150 nan 0.000 0.444 162 D N -0.429 119.992 120.400 0.035 0.000 2.117 162 D HA -0.138 4.502 4.640 0.000 0.000 0.197 162 D C 2.088 178.392 176.300 0.006 0.000 0.987 162 D CA 1.762 55.777 54.000 0.025 0.000 0.829 162 D CB -0.501 40.318 40.800 0.031 0.000 0.961 162 D HN 0.355 nan 8.370 nan 0.000 0.460 163 V N 1.091 121.008 119.914 0.006 0.000 2.548 163 V HA -0.128 3.992 4.120 0.000 0.000 0.249 163 V C 2.151 178.183 176.094 -0.104 0.000 1.055 163 V CA 1.135 63.411 62.300 -0.041 0.000 1.065 163 V CB -0.196 31.614 31.823 -0.022 0.000 0.681 163 V HN 0.035 nan 8.190 nan 0.000 0.462 164 R N 0.039 120.506 120.500 -0.056 0.000 2.096 164 R HA -0.129 4.211 4.340 0.000 0.000 0.235 164 R C 2.497 178.750 176.300 -0.078 0.000 1.127 164 R CA 1.567 57.624 56.100 -0.072 0.000 0.968 164 R CB -0.469 29.880 30.300 0.081 0.000 0.861 164 R HN 0.460 nan 8.270 nan 0.000 0.440 165 K N 0.890 121.271 120.400 -0.032 0.000 2.057 165 K HA -0.105 4.216 4.320 0.000 0.000 0.207 165 K C 2.000 178.569 176.600 -0.052 0.000 1.049 165 K CA 1.426 57.704 56.287 -0.015 0.000 0.931 165 K CB -0.070 32.435 32.500 0.009 0.000 0.714 165 K HN 0.141 nan 8.250 nan 0.000 0.440 166 A N 1.285 124.055 122.820 -0.083 0.000 1.902 166 A HA -0.127 4.193 4.320 0.000 0.000 0.217 166 A C 2.250 179.705 177.584 -0.217 0.000 1.181 166 A CA 1.201 53.172 52.037 -0.111 0.000 0.623 166 A CB -0.522 18.422 19.000 -0.092 0.000 0.818 166 A HN 0.278 nan 8.150 nan 0.000 0.443 167 L N -0.511 120.490 121.223 -0.369 0.000 2.056 167 L HA -0.164 4.176 4.340 0.000 0.000 0.207 167 L C 1.797 178.479 176.870 -0.314 0.000 1.078 167 L CA 1.361 55.812 54.840 -0.647 0.000 0.749 167 L CB -0.527 40.595 42.059 -1.562 0.000 0.901 167 L HN 0.257 nan 8.230 nan 0.000 0.433 168 D N -0.369 119.969 120.400 -0.103 0.000 2.310 168 D HA -0.111 4.529 4.640 0.000 0.000 0.212 168 D C 1.499 177.819 176.300 0.033 0.000 0.965 168 D CA 0.737 54.792 54.000 0.093 0.000 0.879 168 D CB -0.197 40.677 40.800 0.124 0.000 0.921 168 D HN 0.247 nan 8.370 nan 0.000 0.510 169 N N 0.247 118.932 118.700 -0.026 0.000 2.398 169 N HA -0.014 4.726 4.740 0.000 0.000 0.188 169 N C 0.308 175.786 175.510 -0.053 0.000 1.122 169 N CA -0.031 53.005 53.050 -0.024 0.000 0.866 169 N CB 0.407 38.883 38.487 -0.020 0.000 0.970 169 N HN 0.115 nan 8.380 nan 0.000 0.462 170 V N -0.691 119.182 119.914 -0.069 0.000 2.788 170 V HA 0.537 4.657 4.120 0.000 0.000 0.307 170 V C 0.327 176.396 176.094 -0.042 0.000 1.069 170 V CA -0.780 61.470 62.300 -0.083 0.000 1.173 170 V CB 0.252 32.034 31.823 -0.068 0.000 0.925 170 V HN 0.179 nan 8.190 nan 0.000 0.492 171 A N 3.751 126.534 122.820 -0.061 0.000 2.610 171 A HA 0.856 5.176 4.320 0.000 0.000 0.291 171 A C -0.128 177.423 177.584 -0.055 0.000 1.086 171 A CA -0.195 51.817 52.037 -0.041 0.000 0.677 171 A CB 1.324 20.298 19.000 -0.043 0.000 1.278 171 A HN 1.992 nan 8.150 nan 0.000 0.414 172 S N -0.012 115.661 115.700 -0.046 0.000 2.671 172 S HA 0.850 5.320 4.470 0.000 0.000 0.272 172 S C 0.842 175.348 174.600 -0.158 0.000 1.174 172 S CA 0.519 58.684 58.200 -0.059 0.000 1.004 172 S CB 0.660 63.854 63.200 -0.011 0.000 1.077 172 S HN 2.837 nan 8.310 nan 0.000 0.553 173 G N -0.055 108.576 108.800 -0.282 0.000 2.660 173 G HA2 -0.041 3.919 3.960 0.000 0.000 0.215 173 G HA3 -0.041 3.919 3.960 0.000 0.000 0.215 173 G C -3.287 171.145 174.900 -0.780 0.000 1.345 173 G CA -0.613 44.027 45.100 -0.766 0.000 0.877 173 G HN 0.807 nan 8.290 nan 0.000 0.549 174 P HA 0.427 nan 4.420 nan 0.000 0.267 174 P C -0.146 177.083 177.300 -0.119 0.000 1.200 174 P CA -0.247 62.653 63.100 -0.335 0.000 0.772 174 P CB 1.018 32.623 31.700 -0.157 0.000 0.855 175 V N 3.543 123.454 119.914 -0.005 0.000 2.417 175 V HA 0.238 4.358 4.120 0.000 0.000 0.291 175 V C 0.424 176.605 176.094 0.146 0.000 1.024 175 V CA -0.622 61.743 62.300 0.109 0.000 0.861 175 V CB 1.313 33.209 31.823 0.122 0.000 0.985 175 V HN 0.521 nan 8.190 nan 0.000 0.436 176 Q N 3.238 123.173 119.800 0.225 0.000 2.392 176 Q HA 0.282 4.622 4.340 0.000 0.000 0.262 176 Q C -0.432 175.531 176.000 -0.062 0.000 1.003 176 Q CA 0.267 56.093 55.803 0.038 0.000 0.888 176 Q CB 0.883 29.580 28.738 -0.069 0.000 1.260 176 Q HN 0.786 nan 8.270 nan 0.000 0.435 177 E N 0.942 121.089 120.200 -0.089 0.000 2.423 177 E HA 0.622 4.973 4.350 0.000 0.000 0.269 177 E C -0.113 176.422 176.600 -0.109 0.000 0.948 177 E CA -0.415 55.934 56.400 -0.085 0.000 0.802 177 E CB 1.696 31.386 29.700 -0.016 0.000 1.339 177 E HN 0.904 nan 8.360 nan 0.000 0.445 178 G N 1.339 110.095 108.800 -0.073 0.000 2.527 178 G HA2 -0.273 3.688 3.960 0.000 0.000 0.262 178 G HA3 -0.273 3.688 3.960 0.000 0.000 0.262 178 G C -0.380 174.470 174.900 -0.083 0.000 1.153 178 G CA -0.186 44.884 45.100 -0.051 0.000 0.954 178 G HN 0.486 nan 8.290 nan 0.000 0.552 179 N N 2.111 120.763 118.700 -0.081 0.000 3.050 179 N HA 0.458 5.198 4.740 0.000 0.000 0.289 179 N C 0.126 175.553 175.510 -0.139 0.000 1.209 179 N CA 0.764 53.764 53.050 -0.083 0.000 1.154 179 N CB -0.715 37.741 38.487 -0.052 0.000 1.444 179 N HN 1.145 nan 8.380 nan 0.000 0.529 180 C N -2.476 116.693 119.300 -0.217 0.000 3.086 180 C HA 0.921 5.381 4.460 0.000 0.000 0.311 180 C C 1.089 175.889 174.990 -0.316 0.000 1.260 180 C CA -0.370 58.440 59.018 -0.346 0.000 1.426 180 C CB 1.059 28.411 27.740 -0.646 0.000 1.826 180 C HN 0.667 nan 8.230 nan 0.000 0.474 181 G N 1.842 110.549 108.800 -0.154 0.000 2.582 181 G HA2 0.116 4.076 3.960 0.000 0.000 0.288 181 G HA3 0.116 4.076 3.960 0.000 0.000 0.288 181 G C 1.047 175.989 174.900 0.070 0.000 1.247 181 G CA 0.772 45.949 45.100 0.129 0.000 0.972 181 G HN 2.380 nan 8.290 nan 0.000 0.557 182 G N 0.080 108.952 108.800 0.119 0.000 2.479 182 G HA2 0.231 4.191 3.960 0.000 0.000 0.220 182 G HA3 0.231 4.191 3.960 0.000 0.000 0.220 182 G C 1.707 176.627 174.900 0.033 0.000 1.115 182 G CA 1.698 46.837 45.100 0.064 0.000 0.757 182 G HN 1.799 nan 8.290 nan 0.000 0.560 183 G N -0.194 108.621 108.800 0.025 0.000 2.650 183 G HA2 0.026 3.986 3.960 0.000 0.000 0.214 183 G HA3 0.026 3.986 3.960 0.000 0.000 0.214 183 G C 1.657 176.545 174.900 -0.020 0.000 1.136 183 G CA 1.259 46.364 45.100 0.008 0.000 0.789 183 G HN 0.326 nan 8.290 nan 0.000 0.536 184 T N 1.005 115.536 114.554 -0.038 0.000 2.620 184 T HA -0.175 4.175 4.350 0.000 0.000 0.267 184 T C 2.239 176.917 174.700 -0.037 0.000 1.044 184 T CA 1.713 63.784 62.100 -0.048 0.000 1.161 184 T CB -0.356 68.484 68.868 -0.046 0.000 0.862 184 T HN 0.353 nan 8.240 nan 0.000 0.438 185 G N 0.770 109.544 108.800 -0.042 0.000 3.233 185 G HA2 0.286 4.247 3.960 0.000 0.000 0.227 185 G HA3 0.286 4.247 3.960 0.000 0.000 0.227 185 G C 0.350 175.223 174.900 -0.044 0.000 1.175 185 G CA -0.270 44.799 45.100 -0.052 0.000 0.781 185 G HN 0.247 nan 8.290 nan 0.000 0.542 186 M N 0.551 120.141 119.600 -0.016 0.000 2.291 186 M HA 0.491 4.972 4.480 0.000 0.000 0.324 186 M C -0.343 175.976 176.300 0.033 0.000 1.148 186 M CA -0.653 54.652 55.300 0.010 0.000 1.104 186 M CB 1.343 33.966 32.600 0.039 0.000 1.483 186 M HN -0.163 nan 8.290 nan 0.000 0.467 187 I N 0.334 120.930 120.570 0.043 0.000 2.466 187 I HA 0.373 4.543 4.170 0.000 0.000 0.289 187 I C -0.204 175.949 176.117 0.060 0.000 1.026 187 I CA -0.415 60.915 61.300 0.050 0.000 1.078 187 I CB 2.268 40.277 38.000 0.014 0.000 1.249 187 I HN 0.572 nan 8.210 nan 0.000 0.429 188 T N 4.533 119.145 114.554 0.096 0.000 2.879 188 T HA 0.424 4.774 4.350 0.000 0.000 0.290 188 T C -0.472 174.317 174.700 0.149 0.000 0.993 188 T CA -0.085 62.050 62.100 0.057 0.000 0.975 188 T CB 0.310 69.286 68.868 0.179 0.000 0.981 188 T HN 0.520 nan 8.240 nan 0.000 0.439 189 Y N 2.586 122.837 120.300 -0.082 0.000 3.491 189 Y HA -0.253 4.297 4.550 0.000 0.000 0.215 189 Y C 1.538 177.339 175.900 -0.166 0.000 1.219 189 Y CA 1.447 59.491 58.100 -0.094 0.000 1.485 189 Y CB -1.799 36.673 38.460 0.020 0.000 1.450 189 Y HN 1.305 nan 8.280 nan 0.000 0.603 190 G N -2.611 106.122 108.800 -0.111 0.000 2.184 190 G HA2 -0.333 3.628 3.960 0.000 0.000 0.264 190 G HA3 -0.333 3.628 3.960 0.000 0.000 0.264 190 G C 0.044 174.752 174.900 -0.319 0.000 0.975 190 G CA 0.286 45.235 45.100 -0.252 0.000 0.642 190 G HN 0.395 nan 8.290 nan 0.000 0.536 191 F N -0.216 119.757 119.950 0.038 0.000 2.572 191 F HA 0.758 5.286 4.527 0.000 0.000 0.342 191 F C 0.647 176.469 175.800 0.036 0.000 1.064 191 F CA -1.366 56.657 58.000 0.038 0.000 1.008 191 F CB 0.945 39.980 39.000 0.057 0.000 1.303 191 F HN -0.038 nan 8.300 nan 0.000 0.492 192 K N 0.637 121.192 120.400 0.258 0.000 2.451 192 K HA 0.438 4.759 4.320 0.000 0.000 0.280 192 K C 0.075 176.761 176.600 0.143 0.000 1.020 192 K CA 0.274 56.647 56.287 0.142 0.000 1.008 192 K CB 0.219 32.777 32.500 0.097 0.000 0.917 192 K HN 0.724 nan 8.250 nan 0.000 0.478 193 G N 1.156 110.021 108.800 0.109 0.000 3.008 193 G HA2 0.748 4.708 3.960 0.000 0.000 0.181 193 G HA3 0.748 4.708 3.960 0.000 0.000 0.181 193 G C -0.060 174.885 174.900 0.074 0.000 1.309 193 G CA -0.332 44.837 45.100 0.116 0.000 1.009 193 G HN 0.951 nan 8.290 nan 0.000 0.584 194 G N -2.106 106.740 108.800 0.078 0.000 2.288 194 G HA2 0.354 4.314 3.960 0.000 0.000 0.227 194 G HA3 0.354 4.314 3.960 0.000 0.000 0.227 194 G C -0.676 174.252 174.900 0.047 0.000 1.339 194 G CA 0.114 45.238 45.100 0.039 0.000 1.057 194 G HN 0.985 nan 8.290 nan 0.000 0.470 195 T N 0.703 115.264 114.554 0.012 0.000 2.845 195 T HA 0.654 5.004 4.350 0.000 0.000 0.288 195 T C 0.434 175.157 174.700 0.039 0.000 0.980 195 T CA 0.595 62.718 62.100 0.039 0.000 1.071 195 T CB 1.286 70.156 68.868 0.004 0.000 0.941 195 T HN 1.548 nan 8.240 nan 0.000 0.487 196 G N 0.605 109.442 108.800 0.062 0.000 2.660 196 G HA2 0.674 4.634 3.960 0.000 0.000 0.294 196 G HA3 0.674 4.634 3.960 0.000 0.000 0.294 196 G C -1.198 173.728 174.900 0.042 0.000 1.369 196 G CA -0.565 44.559 45.100 0.041 0.000 0.912 196 G HN 0.763 nan 8.290 nan 0.000 0.479 197 T N -1.516 113.049 114.554 0.018 0.000 2.853 197 T HA 0.852 5.202 4.350 0.000 0.000 0.311 197 T C -1.052 173.631 174.700 -0.028 0.000 1.307 197 T CA 0.503 62.611 62.100 0.014 0.000 1.019 197 T CB 1.630 70.529 68.868 0.052 0.000 1.264 197 T HN 2.081 nan 8.240 nan 0.000 0.497 198 A N 1.491 124.289 122.820 -0.037 0.000 2.566 198 A HA 0.865 5.185 4.320 0.000 0.000 0.290 198 A C -0.849 176.711 177.584 -0.040 0.000 1.071 198 A CA -0.168 51.831 52.037 -0.065 0.000 0.658 198 A CB 1.029 19.947 19.000 -0.137 0.000 1.285 198 A HN 1.716 nan 8.150 nan 0.000 0.427 199 S N 0.130 115.808 115.700 -0.037 0.000 2.607 199 S HA 0.956 5.426 4.470 0.000 0.000 0.273 199 S C -1.213 173.376 174.600 -0.018 0.000 1.148 199 S CA -0.948 57.240 58.200 -0.020 0.000 0.833 199 S CB 1.872 65.073 63.200 0.001 0.000 1.130 199 S HN 0.886 nan 8.310 nan 0.000 0.470 200 R N 0.208 120.705 120.500 -0.005 0.000 2.725 200 R HA 0.709 5.049 4.340 0.000 0.000 0.277 200 R C -1.617 174.695 176.300 0.021 0.000 0.987 200 R CA -0.720 55.385 56.100 0.008 0.000 0.901 200 R CB 1.896 32.205 30.300 0.015 0.000 1.207 200 R HN 0.625 nan 8.270 nan 0.000 0.463 201 V N 2.349 122.279 119.914 0.025 0.000 2.513 201 V HA 0.603 4.724 4.120 0.000 0.000 0.299 201 V C -0.102 176.026 176.094 0.058 0.000 1.035 201 V CA -0.759 61.563 62.300 0.038 0.000 0.889 201 V CB 1.992 33.823 31.823 0.014 0.000 0.988 201 V HN 0.586 nan 8.190 nan 0.000 0.440 202 V N 1.039 121.013 119.914 0.100 0.000 2.876 202 V HA 0.659 4.779 4.120 0.000 0.000 0.312 202 V C -0.512 175.691 176.094 0.182 0.000 1.085 202 V CA -0.817 61.557 62.300 0.124 0.000 0.945 202 V CB 1.972 33.879 31.823 0.140 0.000 1.017 202 V HN 0.868 nan 8.190 nan 0.000 0.428 203 E N 2.008 122.297 120.200 0.148 0.000 2.249 203 E HA 0.524 4.874 4.350 0.000 0.000 0.280 203 E C -2.081 174.676 176.600 0.262 0.000 1.016 203 E CA -0.532 55.967 56.400 0.165 0.000 0.830 203 E CB 1.504 31.249 29.700 0.075 0.000 1.081 203 E HN 0.703 nan 8.360 nan 0.000 0.395 204 F N 2.490 122.549 119.950 0.180 0.000 2.730 204 F HA 0.346 4.873 4.527 0.000 0.000 0.335 204 F C 0.398 176.296 175.800 0.162 0.000 1.212 204 F CA 0.198 58.286 58.000 0.147 0.000 1.016 204 F CB 1.532 40.606 39.000 0.124 0.000 1.290 204 F HN 0.643 nan 8.300 nan 0.000 0.495 205 G N 3.218 112.012 108.800 -0.009 0.000 2.225 205 G HA2 0.078 4.038 3.960 0.000 0.000 0.267 205 G HA3 0.078 4.038 3.960 0.000 0.000 0.267 205 G C 1.162 176.132 174.900 0.116 0.000 1.024 205 G CA 0.883 46.031 45.100 0.079 0.000 0.784 205 G HN 2.284 nan 8.290 nan 0.000 0.507 206 G N -1.972 106.879 108.800 0.085 0.000 2.176 206 G HA2 -0.236 3.724 3.960 0.000 0.000 0.253 206 G HA3 -0.236 3.724 3.960 0.000 0.000 0.253 206 G C 0.376 175.310 174.900 0.055 0.000 0.979 206 G CA 1.000 46.135 45.100 0.057 0.000 0.641 206 G HN 1.055 nan 8.290 nan 0.000 0.530 207 R N -0.249 120.315 120.500 0.108 0.000 2.854 207 R HA 0.704 5.044 4.340 0.000 0.000 0.271 207 R C -0.832 175.385 176.300 -0.138 0.000 0.996 207 R CA -0.193 55.881 56.100 -0.043 0.000 0.961 207 R CB 1.928 32.190 30.300 -0.064 0.000 1.182 207 R HN 0.227 nan 8.270 nan 0.000 0.479 208 S N 1.487 116.958 115.700 -0.382 0.000 2.478 208 S HA 0.643 5.113 4.470 0.000 0.000 0.312 208 S C -1.246 173.030 174.600 -0.539 0.000 1.094 208 S CA -0.552 57.493 58.200 -0.259 0.000 1.081 208 S CB 0.393 63.508 63.200 -0.142 0.000 1.007 208 S HN 0.364 nan 8.310 nan 0.000 0.475 209 F N 1.585 121.544 119.950 0.015 0.000 2.579 209 F HA 0.556 5.083 4.527 0.000 0.000 0.324 209 F C 0.703 176.492 175.800 -0.018 0.000 1.058 209 F CA -0.630 57.361 58.000 -0.014 0.000 0.944 209 F CB 2.330 41.299 39.000 -0.050 0.000 1.245 209 F HN 0.340 nan 8.300 nan 0.000 0.477 210 T N 2.646 117.296 114.554 0.162 0.000 2.855 210 T HA 0.684 5.034 4.350 0.000 0.000 0.281 210 T C -0.701 174.025 174.700 0.043 0.000 1.007 210 T CA -0.412 61.731 62.100 0.072 0.000 1.009 210 T CB 1.197 70.087 68.868 0.037 0.000 0.983 210 T HN 0.260 nan 8.240 nan 0.000 0.455 211 I N 2.121 122.700 120.570 0.015 0.000 2.389 211 I HA 0.593 4.763 4.170 0.000 0.000 0.288 211 I C 0.559 176.655 176.117 -0.034 0.000 0.999 211 I CA -0.427 60.859 61.300 -0.024 0.000 1.129 211 I CB 1.790 39.780 38.000 -0.017 0.000 1.288 211 I HN 0.734 nan 8.210 nan 0.000 0.444 212 G N 4.219 112.981 108.800 -0.063 0.000 2.482 212 G HA2 0.832 4.792 3.960 0.000 0.000 0.317 212 G HA3 0.832 4.792 3.960 0.000 0.000 0.317 212 G C -1.427 173.434 174.900 -0.065 0.000 1.241 212 G CA -0.631 44.439 45.100 -0.050 0.000 0.967 212 G HN 0.730 nan 8.290 nan 0.000 0.482 213 A N 1.097 123.892 122.820 -0.043 0.000 2.401 213 A HA 0.844 5.164 4.320 0.000 0.000 0.310 213 A C -1.168 176.413 177.584 -0.005 0.000 1.075 213 A CA -0.665 51.350 52.037 -0.037 0.000 0.746 213 A CB 1.839 20.810 19.000 -0.048 0.000 1.277 213 A HN 1.097 nan 8.150 nan 0.000 0.425 214 L N 2.353 123.586 121.223 0.017 0.000 2.408 214 L HA 0.823 5.163 4.340 0.000 0.000 0.268 214 L C -1.582 175.320 176.870 0.054 0.000 0.986 214 L CA -0.660 54.209 54.840 0.050 0.000 0.820 214 L CB 2.011 44.117 42.059 0.077 0.000 1.303 214 L HN 0.540 nan 8.230 nan 0.000 0.411 215 V N 3.716 123.665 119.914 0.060 0.000 2.876 215 V HA 0.397 4.517 4.120 0.000 0.000 0.312 215 V C -0.803 175.338 176.094 0.079 0.000 1.085 215 V CA -0.477 61.858 62.300 0.058 0.000 0.945 215 V CB 2.214 34.058 31.823 0.036 0.000 1.017 215 V HN 0.829 nan 8.190 nan 0.000 0.428 216 Q N 3.143 122.990 119.800 0.078 0.000 2.462 216 Q HA 0.678 5.018 4.340 0.000 0.000 0.247 216 Q C -0.437 175.616 176.000 0.088 0.000 1.044 216 Q CA -0.487 55.366 55.803 0.083 0.000 0.803 216 Q CB 1.223 30.009 28.738 0.080 0.000 1.190 216 Q HN 0.909 nan 8.270 nan 0.000 0.507 217 A N 3.888 126.782 122.820 0.123 0.000 2.302 217 A HA 0.339 4.659 4.320 0.000 0.000 0.295 217 A C -0.011 177.716 177.584 0.238 0.000 1.235 217 A CA -0.405 51.762 52.037 0.216 0.000 0.876 217 A CB 0.201 19.378 19.000 0.297 0.000 1.133 217 A HN 0.854 nan 8.150 nan 0.000 0.533 218 N N 0.916 119.787 118.700 0.284 0.000 2.390 218 N HA 0.081 4.821 4.740 0.000 0.000 0.259 218 N C -0.415 175.211 175.510 0.193 0.000 1.395 218 N CA -0.261 52.901 53.050 0.187 0.000 0.852 218 N CB 0.295 38.855 38.487 0.122 0.000 1.371 218 N HN 0.861 nan 8.380 nan 0.000 0.491 219 H N -1.510 117.543 119.070 -0.029 0.000 2.812 219 H HA 0.824 5.380 4.556 0.000 0.000 0.355 219 H C 0.535 175.642 175.328 -0.369 0.000 1.207 219 H CA -0.197 55.791 56.048 -0.099 0.000 1.217 219 H CB 0.800 30.549 29.762 -0.022 0.000 1.874 219 H HN 0.116 nan 8.280 nan 0.000 0.581 220 G N 0.035 108.584 108.800 -0.417 0.000 2.746 220 G HA2 -0.100 3.860 3.960 0.000 0.000 0.685 220 G HA3 -0.100 3.860 3.960 0.000 0.000 0.685 220 G C -1.283 173.238 174.900 -0.631 0.000 1.350 220 G CA -0.458 44.209 45.100 -0.721 0.000 0.837 220 G HN 0.847 nan 8.290 nan 0.000 0.564 221 Q N -0.862 118.483 119.800 -0.758 0.000 2.394 221 Q HA 0.573 4.913 4.340 0.000 0.000 0.273 221 Q C 1.280 177.048 176.000 -0.388 0.000 1.089 221 Q CA -1.049 54.287 55.803 -0.779 0.000 0.812 221 Q CB 2.019 29.848 28.738 -1.516 0.000 1.353 221 Q HN 0.633 nan 8.270 nan 0.000 0.438 222 R N 1.191 121.521 120.500 -0.282 0.000 2.103 222 R HA -0.205 4.135 4.340 0.000 0.000 0.242 222 R C 0.858 177.114 176.300 -0.074 0.000 1.142 222 R CA 2.335 58.351 56.100 -0.141 0.000 0.960 222 R CB -0.101 30.047 30.300 -0.253 0.000 0.858 222 R HN 0.669 nan 8.270 nan 0.000 0.439 223 D N -0.826 119.469 120.400 -0.175 0.000 2.182 223 D HA -0.194 4.446 4.640 0.000 0.000 0.201 223 D C 1.344 177.746 176.300 0.170 0.000 0.986 223 D CA 1.029 55.006 54.000 -0.039 0.000 0.847 223 D CB -0.253 40.515 40.800 -0.054 0.000 0.942 223 D HN 0.401 nan 8.370 nan 0.000 0.467 224 W N 0.675 122.043 121.300 0.114 0.000 2.678 224 W HA 0.167 4.827 4.660 0.000 0.000 0.256 224 W C 0.645 177.217 176.519 0.089 0.000 1.280 224 W CA -0.813 56.612 57.345 0.133 0.000 1.345 224 W CB -1.210 28.384 29.460 0.222 0.000 1.118 224 W HN -0.045 nan 8.180 nan 0.000 0.629 225 L N 2.141 123.507 121.223 0.239 0.000 2.559 225 L HA 0.103 4.443 4.340 0.000 0.000 0.274 225 L C 0.010 176.837 176.870 -0.072 0.000 1.205 225 L CA 1.382 56.155 54.840 -0.112 0.000 0.907 225 L CB 0.303 42.296 42.059 -0.109 0.000 1.153 225 L HN -0.253 nan 8.230 nan 0.000 0.490 226 T N 6.915 121.378 114.554 -0.153 0.000 2.879 226 T HA 0.606 4.956 4.350 0.000 0.000 0.290 226 T C -0.417 174.204 174.700 -0.132 0.000 0.993 226 T CA -0.251 61.788 62.100 -0.102 0.000 0.975 226 T CB 0.900 69.735 68.868 -0.056 0.000 0.981 226 T HN 0.442 nan 8.240 nan 0.000 0.439 227 I N 2.235 122.730 120.570 -0.124 0.000 2.447 227 I HA 0.510 4.680 4.170 0.000 0.000 0.287 227 I C 0.607 176.635 176.117 -0.148 0.000 1.023 227 I CA -0.869 60.359 61.300 -0.120 0.000 1.083 227 I CB 1.681 39.616 38.000 -0.107 0.000 1.245 227 I HN 0.914 nan 8.210 nan 0.000 0.434 228 A N 4.556 127.274 122.820 -0.170 0.000 2.872 228 A HA -0.108 4.213 4.320 0.000 0.000 0.273 228 A C 1.399 178.894 177.584 -0.148 0.000 1.442 228 A CA 1.075 52.990 52.037 -0.203 0.000 0.801 228 A CB -1.961 16.898 19.000 -0.234 0.000 1.031 228 A HN 1.955 nan 8.150 nan 0.000 0.582 229 G N -3.740 104.987 108.800 -0.121 0.000 2.184 229 G HA2 -0.022 3.938 3.960 0.000 0.000 0.264 229 G HA3 -0.022 3.938 3.960 0.000 0.000 0.264 229 G C 0.380 175.193 174.900 -0.145 0.000 0.975 229 G CA 0.654 45.692 45.100 -0.103 0.000 0.642 229 G HN 1.861 nan 8.290 nan 0.000 0.536 230 V N 2.312 122.106 119.914 -0.200 0.000 2.481 230 V HA 0.489 4.609 4.120 0.000 0.000 0.286 230 V C -1.416 174.534 176.094 -0.240 0.000 1.042 230 V CA -1.315 60.775 62.300 -0.349 0.000 0.928 230 V CB 1.819 33.369 31.823 -0.454 0.000 0.986 230 V HN 0.166 nan 8.190 nan 0.000 0.462 231 P HA 0.120 nan 4.420 nan 0.000 0.237 231 P C 0.878 178.209 177.300 0.051 0.000 1.788 231 P CA 0.112 63.181 63.100 -0.052 0.000 1.061 231 P CB 0.753 32.443 31.700 -0.017 0.000 1.967 232 V N 2.612 122.539 119.914 0.022 0.000 2.407 232 V HA -0.175 3.945 4.120 0.000 0.000 0.248 232 V C 2.756 178.948 176.094 0.164 0.000 1.055 232 V CA 2.675 65.031 62.300 0.093 0.000 1.049 232 V CB -1.403 30.428 31.823 0.014 0.000 0.662 232 V HN 0.417 nan 8.190 nan 0.000 0.455 233 G N -0.959 107.910 108.800 0.115 0.000 2.448 233 G HA2 -0.215 3.745 3.960 0.000 0.000 0.219 233 G HA3 -0.215 3.745 3.960 0.000 0.000 0.219 233 G C 1.426 176.367 174.900 0.067 0.000 1.127 233 G CA 0.376 45.541 45.100 0.109 0.000 0.766 233 G HN 0.492 nan 8.290 nan 0.000 0.552 234 Q N -0.056 119.767 119.800 0.038 0.000 2.311 234 Q HA 0.013 4.353 4.340 0.000 0.000 0.203 234 Q C 1.791 177.692 176.000 -0.164 0.000 0.954 234 Q CA 0.725 56.481 55.803 -0.078 0.000 0.885 234 Q CB -0.089 28.564 28.738 -0.141 0.000 0.963 234 Q HN 0.652 nan 8.270 nan 0.000 0.471 235 H N -1.195 117.916 119.070 0.068 0.000 2.582 235 H HA 0.268 4.824 4.556 0.000 0.000 0.269 235 H C 0.360 175.737 175.328 0.082 0.000 0.962 235 H CA 0.279 56.375 56.048 0.080 0.000 1.230 235 H CB 0.726 30.548 29.762 0.100 0.000 1.445 235 H HN 0.140 nan 8.280 nan 0.000 0.528 236 M N 1.198 120.923 119.600 0.209 0.000 2.325 236 M HA 0.289 4.769 4.480 0.000 0.000 0.305 236 M C 0.551 176.926 176.300 0.124 0.000 1.047 236 M CA -0.075 55.348 55.300 0.205 0.000 0.981 236 M CB 1.522 34.310 32.600 0.313 0.000 1.307 236 M HN -0.085 nan 8.290 nan 0.000 0.418 237 R N 0.838 121.371 120.500 0.055 0.000 2.312 237 R HA 0.072 4.412 4.340 0.000 0.000 0.205 237 R C 0.111 176.385 176.300 -0.044 0.000 0.904 237 R CA 0.297 56.387 56.100 -0.016 0.000 1.052 237 R CB 0.309 30.601 30.300 -0.012 0.000 1.014 237 R HN 0.669 nan 8.270 nan 0.000 0.503 238 D N -0.400 119.994 120.400 -0.010 0.000 2.283 238 D HA 0.148 4.788 4.640 0.000 0.000 0.248 238 D C 0.777 177.044 176.300 -0.056 0.000 1.072 238 D CA 0.115 54.103 54.000 -0.020 0.000 0.929 238 D CB 1.378 42.190 40.800 0.020 0.000 1.182 238 D HN 0.088 nan 8.370 nan 0.000 0.433 239 G N 1.423 110.190 108.800 -0.055 0.000 2.153 239 G HA2 -0.290 3.670 3.960 0.000 0.000 0.252 239 G HA3 -0.290 3.670 3.960 0.000 0.000 0.252 239 G C 0.499 175.328 174.900 -0.118 0.000 0.994 239 G CA 0.665 45.727 45.100 -0.063 0.000 0.698 239 G HN 1.074 nan 8.290 nan 0.000 0.521 240 T N -1.636 112.825 114.554 -0.155 0.000 2.932 240 T HA 0.449 4.799 4.350 0.000 0.000 0.312 240 T C -0.514 174.110 174.700 -0.126 0.000 1.071 240 T CA -0.378 61.610 62.100 -0.186 0.000 1.128 240 T CB 1.635 70.387 68.868 -0.193 0.000 0.984 240 T HN -0.005 nan 8.240 nan 0.000 0.549 241 P HA -0.125 nan 4.420 nan 0.000 0.215 241 P C 1.768 179.024 177.300 -0.073 0.000 1.153 241 P CA 1.036 64.086 63.100 -0.082 0.000 0.853 241 P CB 0.048 31.701 31.700 -0.077 0.000 0.788 242 Q N 0.022 119.768 119.800 -0.090 0.000 2.061 242 Q HA -0.187 4.153 4.340 0.000 0.000 0.204 242 Q C 2.203 178.165 176.000 -0.063 0.000 0.984 242 Q CA 2.486 58.242 55.803 -0.077 0.000 0.846 242 Q CB -0.488 28.193 28.738 -0.095 0.000 0.902 242 Q HN 0.274 nan 8.270 nan 0.000 0.421 243 S N -0.609 115.050 115.700 -0.068 0.000 2.442 243 S HA -0.185 4.285 4.470 0.000 0.000 0.236 243 S C 1.620 176.195 174.600 -0.042 0.000 1.007 243 S CA 1.253 59.421 58.200 -0.053 0.000 0.965 243 S CB -0.147 63.019 63.200 -0.057 0.000 0.773 243 S HN 0.453 nan 8.310 nan 0.000 0.504 244 Q N 0.155 119.929 119.800 -0.043 0.000 2.302 244 Q HA 0.352 4.692 4.340 0.000 0.000 0.202 244 Q C 0.474 176.457 176.000 -0.027 0.000 0.936 244 Q CA 0.339 56.122 55.803 -0.033 0.000 0.886 244 Q CB 0.016 28.734 28.738 -0.033 0.000 0.986 244 Q HN 0.530 nan 8.270 nan 0.000 0.487 251 I N 2.760 123.339 120.570 0.014 0.000 2.607 251 I HA 0.557 4.727 4.170 0.000 0.000 0.290 251 I C -1.742 174.417 176.117 0.069 0.000 1.129 251 I CA -0.883 60.393 61.300 -0.040 0.000 1.042 251 I CB 0.759 38.543 38.000 -0.360 0.000 1.242 251 I HN 0.552 nan 8.210 nan 0.000 0.421 252 I N 8.076 128.694 120.570 0.079 0.000 2.359 252 I HA 0.399 4.569 4.170 0.000 0.000 0.294 252 I C -0.313 175.888 176.117 0.141 0.000 0.987 252 I CA -0.653 60.718 61.300 0.118 0.000 1.225 252 I CB 1.533 39.580 38.000 0.079 0.000 1.366 252 I HN 0.233 nan 8.210 nan 0.000 0.466 253 V N 7.261 127.313 119.914 0.230 0.000 2.487 253 V HA 0.441 4.561 4.120 0.000 0.000 0.298 253 V C -0.074 176.100 176.094 0.133 0.000 1.028 253 V CA -0.711 61.665 62.300 0.125 0.000 0.860 253 V CB 2.479 34.297 31.823 -0.008 0.000 0.991 253 V HN 0.416 nan 8.190 nan 0.000 0.427 254 V N 6.636 126.604 119.914 0.090 0.000 2.417 254 V HA 0.524 4.644 4.120 0.000 0.000 0.291 254 V C -0.319 175.792 176.094 0.029 0.000 1.024 254 V CA -0.461 61.906 62.300 0.112 0.000 0.861 254 V CB 1.675 33.592 31.823 0.156 0.000 0.985 254 V HN 0.633 nan 8.190 nan 0.000 0.436 255 L N 4.397 125.611 121.223 -0.016 0.000 2.341 255 L HA 0.893 5.233 4.340 0.000 0.000 0.278 255 L C 0.094 176.750 176.870 -0.358 0.000 1.005 255 L CA -0.388 54.378 54.840 -0.122 0.000 0.818 255 L CB 1.907 43.920 42.059 -0.076 0.000 1.259 255 L HN 0.745 nan 8.230 nan 0.000 0.418 256 A N 1.978 124.531 122.820 -0.446 0.000 2.374 256 A HA 0.871 5.191 4.320 0.000 0.000 0.317 256 A C -0.620 176.747 177.584 -0.362 0.000 1.094 256 A CA -0.481 51.087 52.037 -0.781 0.000 0.765 256 A CB 2.101 20.624 19.000 -0.796 0.000 1.268 256 A HN 0.555 nan 8.150 nan 0.000 0.438 257 T N -0.517 113.862 114.554 -0.293 0.000 2.853 257 T HA 0.484 4.834 4.350 0.000 0.000 0.311 257 T C -1.015 173.657 174.700 -0.047 0.000 1.307 257 T CA 0.093 62.120 62.100 -0.121 0.000 1.019 257 T CB 1.441 70.242 68.868 -0.111 0.000 1.264 257 T HN 0.702 nan 8.240 nan 0.000 0.497 258 D N 2.001 122.431 120.400 0.049 0.000 2.363 258 D HA 0.181 4.821 4.640 0.000 0.000 0.214 258 D C 0.594 176.990 176.300 0.161 0.000 1.093 258 D CA -0.347 53.733 54.000 0.133 0.000 0.837 258 D CB -0.190 40.715 40.800 0.174 0.000 0.948 258 D HN 0.266 nan 8.370 nan 0.000 0.507 259 L N 2.151 123.319 121.223 -0.091 0.000 2.453 259 L HA 0.262 4.603 4.340 0.000 0.000 0.272 259 L C -2.312 174.338 176.870 -0.366 0.000 1.182 259 L CA -1.672 52.807 54.840 -0.602 0.000 0.858 259 L CB 0.401 42.047 42.059 -0.688 0.000 1.120 259 L HN -0.173 nan 8.230 nan 0.000 0.474 260 P HA 0.166 nan 4.420 nan 0.000 0.273 260 P C -1.178 175.991 177.300 -0.218 0.000 1.428 260 P CA -0.229 62.761 63.100 -0.183 0.000 0.995 260 P CB 0.475 32.102 31.700 -0.122 0.000 1.286 261 L N 4.184 125.315 121.223 -0.154 0.000 2.354 261 L HA 0.535 4.875 4.340 0.000 0.000 0.269 261 L C 0.434 177.212 176.870 -0.155 0.000 1.005 261 L CA -0.895 53.839 54.840 -0.177 0.000 0.819 261 L CB 1.750 43.715 42.059 -0.156 0.000 1.311 261 L HN 0.260 nan 8.230 nan 0.000 0.423 262 M N 2.828 122.283 119.600 -0.243 0.000 2.494 262 M HA 0.367 4.848 4.480 0.000 0.000 0.300 262 M C -1.380 174.809 176.300 -0.185 0.000 1.189 262 M CA -2.010 53.130 55.300 -0.267 0.000 0.982 262 M CB 0.833 33.325 32.600 -0.180 0.000 1.534 262 M HN 0.220 nan 8.290 nan 0.000 0.488 263 P HA -0.192 nan 4.420 nan 0.000 0.216 263 P C 1.329 178.658 177.300 0.048 0.000 1.153 263 P CA 1.670 64.803 63.100 0.055 0.000 0.858 263 P CB -0.334 31.424 31.700 0.097 0.000 0.789 264 H N -0.466 118.605 119.070 0.002 0.000 2.421 264 H HA -0.054 4.502 4.556 0.000 0.000 0.298 264 H C 1.492 176.838 175.328 0.030 0.000 1.087 264 H CA 1.246 57.303 56.048 0.016 0.000 1.330 264 H CB -0.968 28.796 29.762 0.005 0.000 1.388 264 H HN 0.252 nan 8.280 nan 0.000 0.526 265 Q N 0.403 119.898 119.800 -0.508 0.000 2.187 265 Q HA 0.091 4.431 4.340 0.000 0.000 0.199 265 Q C 2.659 178.615 176.000 -0.074 0.000 0.957 265 Q CA 0.686 56.323 55.803 -0.277 0.000 0.857 265 Q CB 0.265 28.779 28.738 -0.374 0.000 0.929 265 Q HN 0.373 nan 8.270 nan 0.000 0.453 266 L N 0.656 121.848 121.223 -0.051 0.000 2.217 266 L HA -0.153 4.187 4.340 0.000 0.000 0.211 266 L C 2.167 179.079 176.870 0.071 0.000 1.107 266 L CA 1.045 55.905 54.840 0.034 0.000 0.783 266 L CB -0.162 41.947 42.059 0.082 0.000 0.919 266 L HN 0.102 nan 8.230 nan 0.000 0.442 267 K N -0.156 120.286 120.400 0.070 0.000 2.097 267 K HA -0.149 4.172 4.320 0.000 0.000 0.206 267 K C 2.241 178.870 176.600 0.049 0.000 1.049 267 K CA 1.173 57.513 56.287 0.088 0.000 0.933 267 K CB -0.099 32.457 32.500 0.094 0.000 0.717 267 K HN 0.298 nan 8.250 nan 0.000 0.442 268 R N 0.554 121.070 120.500 0.027 0.000 2.081 268 R HA -0.120 4.220 4.340 0.000 0.000 0.235 268 R C 2.356 178.617 176.300 -0.064 0.000 1.131 268 R CA 0.948 57.029 56.100 -0.031 0.000 0.960 268 R CB -0.436 29.881 30.300 0.028 0.000 0.856 268 R HN 0.090 nan 8.270 nan 0.000 0.436 269 L N 0.911 122.162 121.223 0.046 0.000 2.046 269 L HA -0.094 4.246 4.340 0.000 0.000 0.208 269 L C 2.279 179.157 176.870 0.015 0.000 1.077 269 L CA 1.888 56.768 54.840 0.068 0.000 0.747 269 L CB -0.616 41.502 42.059 0.099 0.000 0.896 269 L HN 0.134 nan 8.230 nan 0.000 0.432 270 A N -0.812 122.046 122.820 0.063 0.000 1.972 270 A HA -0.234 4.086 4.320 0.000 0.000 0.219 270 A C 2.502 180.173 177.584 0.144 0.000 1.169 270 A CA 1.651 53.767 52.037 0.132 0.000 0.635 270 A CB -0.618 18.518 19.000 0.227 0.000 0.810 270 A HN 0.467 nan 8.150 nan 0.000 0.446 271 R N -0.818 119.684 120.500 0.003 0.000 2.152 271 R HA -0.091 4.250 4.340 0.000 0.000 0.232 271 R C 1.885 178.099 176.300 -0.143 0.000 1.117 271 R CA 0.815 56.802 56.100 -0.189 0.000 0.981 271 R CB -0.089 29.988 30.300 -0.372 0.000 0.870 271 R HN 0.278 nan 8.270 nan 0.000 0.451 272 R N -0.176 120.217 120.500 -0.178 0.000 2.241 272 R HA -0.039 4.301 4.340 0.000 0.000 0.224 272 R C 1.792 177.963 176.300 -0.215 0.000 1.101 272 R CA 1.037 57.015 56.100 -0.203 0.000 0.995 272 R CB -0.628 29.547 30.300 -0.208 0.000 0.870 272 R HN 0.237 nan 8.270 nan 0.000 0.463 273 A N 0.414 123.054 122.820 -0.300 0.000 2.121 273 A HA -0.063 4.257 4.320 0.000 0.000 0.218 273 A C 2.202 179.351 177.584 -0.725 0.000 1.154 273 A CA 1.189 52.850 52.037 -0.627 0.000 0.679 273 A CB -0.255 18.088 19.000 -1.094 0.000 0.795 273 A HN 0.220 nan 8.150 nan 0.000 0.458 274 S N 0.146 115.634 115.700 -0.354 0.000 2.359 274 S HA -0.153 4.317 4.470 0.000 0.000 0.224 274 S C 1.762 176.193 174.600 -0.282 0.000 1.035 274 S CA 1.621 59.649 58.200 -0.287 0.000 1.018 274 S CB -0.450 62.699 63.200 -0.085 0.000 0.876 274 S HN 0.606 nan 8.310 nan 0.000 0.448 275 I N 1.407 121.866 120.570 -0.186 0.000 2.315 275 I HA -0.105 4.065 4.170 0.000 0.000 0.248 275 I C 2.686 178.730 176.117 -0.123 0.000 1.117 275 I CA 0.989 62.214 61.300 -0.125 0.000 1.404 275 I CB -0.867 37.079 38.000 -0.089 0.000 1.071 275 I HN 0.369 nan 8.210 nan 0.000 0.419 276 G N 2.116 110.814 108.800 -0.170 0.000 2.440 276 G HA2 -0.254 3.706 3.960 0.000 0.000 0.218 276 G HA3 -0.254 3.706 3.960 0.000 0.000 0.218 276 G C 1.652 176.493 174.900 -0.098 0.000 1.154 276 G CA 1.147 46.166 45.100 -0.135 0.000 0.767 276 G HN 0.608 nan 8.290 nan 0.000 0.552 277 I N -1.558 118.917 120.570 -0.157 0.000 2.761 277 I HA 0.256 4.426 4.170 0.000 0.000 0.261 277 I C 2.453 178.614 176.117 0.073 0.000 1.198 277 I CA 1.028 62.320 61.300 -0.014 0.000 1.482 277 I CB -0.345 37.622 38.000 -0.054 0.000 1.100 277 I HN 0.020 nan 8.210 nan 0.000 0.445 278 G N 1.224 110.011 108.800 -0.021 0.000 2.484 278 G HA2 -0.113 3.847 3.960 0.000 0.000 0.218 278 G HA3 -0.113 3.847 3.960 0.000 0.000 0.218 278 G C 1.686 176.608 174.900 0.037 0.000 1.130 278 G CA 0.001 45.106 45.100 0.009 0.000 0.784 278 G HN 0.200 nan 8.290 nan 0.000 0.543 279 R N 0.710 121.228 120.500 0.029 0.000 2.127 279 R HA -0.021 4.319 4.340 0.000 0.000 0.238 279 R C 1.263 177.582 176.300 0.032 0.000 1.134 279 R CA 0.756 56.872 56.100 0.027 0.000 0.975 279 R CB -0.360 29.960 30.300 0.033 0.000 0.865 279 R HN 0.317 nan 8.270 nan 0.000 0.447 280 N N -0.648 118.096 118.700 0.072 0.000 2.268 280 N HA 0.050 4.790 4.740 0.000 0.000 0.204 280 N C 0.863 176.358 175.510 -0.025 0.000 1.124 280 N CA 0.844 53.884 53.050 -0.018 0.000 0.838 280 N CB 1.296 39.744 38.487 -0.065 0.000 0.994 280 N HN 0.420 nan 8.380 nan 0.000 0.489 281 G N -0.014 108.862 108.800 0.126 0.000 2.316 281 G HA2 -0.240 3.720 3.960 0.000 0.000 0.203 281 G HA3 -0.240 3.720 3.960 0.000 0.000 0.203 281 G C 0.386 175.417 174.900 0.218 0.000 0.999 281 G CA 0.085 45.291 45.100 0.177 0.000 0.649 281 G HN 0.374 nan 8.290 nan 0.000 0.489 282 T N 2.748 117.516 114.554 0.357 0.000 2.930 282 T HA 0.480 4.830 4.350 0.000 0.000 0.306 282 T C -0.420 174.194 174.700 -0.143 0.000 1.045 282 T CA -0.043 62.133 62.100 0.126 0.000 1.134 282 T CB 1.319 70.374 68.868 0.312 0.000 0.961 282 T HN 0.128 nan 8.240 nan 0.000 0.545 283 P HA 0.275 nan 4.420 nan 0.000 0.261 283 P C 0.258 177.541 177.300 -0.029 0.000 1.268 283 P CA 0.143 63.091 63.100 -0.253 0.000 0.833 283 P CB -0.166 31.280 31.700 -0.423 0.000 1.231 284 G N 0.056 108.884 108.800 0.047 0.000 2.897 284 G HA2 0.084 4.045 3.960 0.000 0.000 0.436 284 G HA3 0.084 4.045 3.960 0.000 0.000 0.436 284 G C 0.189 175.187 174.900 0.164 0.000 1.079 284 G CA -0.699 44.578 45.100 0.295 0.000 1.090 284 G HN 0.490 nan 8.290 nan 0.000 0.480 285 G N 0.648 109.576 108.800 0.213 0.000 2.569 285 G HA2 0.429 4.389 3.960 0.000 0.000 0.249 285 G HA3 0.429 4.389 3.960 0.000 0.000 0.249 285 G C 0.973 175.952 174.900 0.132 0.000 1.216 285 G CA 0.366 45.600 45.100 0.223 0.000 0.845 285 G HN 0.955 nan 8.290 nan 0.000 0.568 286 N N 0.336 119.093 118.700 0.095 0.000 2.188 286 N HA -0.123 4.617 4.740 0.000 0.000 0.184 286 N C 1.588 177.112 175.510 0.024 0.000 1.018 286 N CA 1.261 54.333 53.050 0.036 0.000 0.858 286 N CB 0.033 38.534 38.487 0.023 0.000 0.989 286 N HN 0.377 nan 8.380 nan 0.000 0.426 287 N N -0.521 118.201 118.700 0.037 0.000 2.398 287 N HA 0.028 4.768 4.740 0.000 0.000 0.188 287 N C -0.734 174.788 175.510 0.020 0.000 1.122 287 N CA 0.158 53.210 53.050 0.005 0.000 0.866 287 N CB 0.090 38.571 38.487 -0.011 0.000 0.970 287 N HN 0.064 nan 8.380 nan 0.000 0.462 288 S N -0.103 115.635 115.700 0.064 0.000 2.439 288 S HA 0.440 4.910 4.470 0.000 0.000 0.282 288 S C 0.476 175.109 174.600 0.055 0.000 1.170 288 S CA -0.852 57.401 58.200 0.089 0.000 1.054 288 S CB 0.213 63.512 63.200 0.166 0.000 0.956 288 S HN 0.297 nan 8.310 nan 0.000 0.490 289 G N 3.789 112.607 108.800 0.030 0.000 2.519 289 G HA2 0.281 4.241 3.960 0.000 0.000 0.306 289 G HA3 0.281 4.241 3.960 0.000 0.000 0.306 289 G C -0.798 174.093 174.900 -0.016 0.000 0.965 289 G CA -0.503 44.592 45.100 -0.009 0.000 1.291 289 G HN 0.671 nan 8.290 nan 0.000 0.450 290 D N 2.515 122.889 120.400 -0.043 0.000 2.473 290 D HA 0.360 5.000 4.640 0.000 0.000 0.226 290 D C 0.097 176.091 176.300 -0.511 0.000 1.089 290 D CA 0.125 54.066 54.000 -0.099 0.000 0.883 290 D CB 1.359 42.239 40.800 0.132 0.000 1.029 290 D HN 0.272 nan 8.370 nan 0.000 0.517 291 I N 2.249 122.557 120.570 -0.437 0.000 2.499 291 I HA 0.384 4.554 4.170 0.000 0.000 0.288 291 I C -0.905 175.098 176.117 -0.190 0.000 1.048 291 I CA -0.915 60.103 61.300 -0.469 0.000 1.062 291 I CB 1.357 39.237 38.000 -0.200 0.000 1.238 291 I HN -0.039 nan 8.210 nan 0.000 0.426 292 F N 6.406 126.383 119.950 0.045 0.000 2.508 292 F HA 0.670 5.197 4.527 0.000 0.000 0.325 292 F C -0.160 175.685 175.800 0.074 0.000 1.090 292 F CA -1.385 56.651 58.000 0.060 0.000 0.945 292 F CB 1.711 40.767 39.000 0.092 0.000 1.156 292 F HN 0.222 nan 8.300 nan 0.000 0.463 293 I N 1.628 122.353 120.570 0.259 0.000 2.647 293 I HA 0.853 5.024 4.170 0.000 0.000 0.295 293 I C -1.513 174.736 176.117 0.220 0.000 1.078 293 I CA -0.633 60.791 61.300 0.207 0.000 1.048 293 I CB 1.751 39.834 38.000 0.138 0.000 1.239 293 I HN 0.717 nan 8.210 nan 0.000 0.421 294 A N 6.696 129.653 122.820 0.228 0.000 2.371 294 A HA 0.845 5.165 4.320 0.000 0.000 0.311 294 A C -1.327 176.423 177.584 0.277 0.000 1.068 294 A CA -0.413 51.715 52.037 0.151 0.000 0.744 294 A CB 1.044 20.098 19.000 0.089 0.000 1.239 294 A HN 0.701 nan 8.150 nan 0.000 0.435 295 F N 0.290 120.336 119.950 0.161 0.000 2.613 295 F HA 0.861 5.388 4.527 0.000 0.000 0.314 295 F C -0.241 175.608 175.800 0.082 0.000 1.075 295 F CA -0.945 57.156 58.000 0.168 0.000 0.945 295 F CB 1.513 40.666 39.000 0.255 0.000 1.310 295 F HN 0.501 nan 8.300 nan 0.000 0.467 296 S N 0.004 115.872 115.700 0.280 0.000 2.532 296 S HA 0.504 4.974 4.470 0.000 0.000 0.301 296 S C -0.071 174.660 174.600 0.218 0.000 1.083 296 S CA -0.291 57.995 58.200 0.144 0.000 1.025 296 S CB 1.740 65.004 63.200 0.107 0.000 1.056 296 S HN 0.855 nan 8.310 nan 0.000 0.494 297 T N 2.759 117.398 114.554 0.142 0.000 3.105 297 T HA 0.461 4.811 4.350 0.000 0.000 0.253 297 T C 0.598 175.426 174.700 0.213 0.000 1.047 297 T CA 0.307 62.481 62.100 0.123 0.000 0.944 297 T CB -0.350 68.526 68.868 0.013 0.000 1.016 297 T HN 0.757 nan 8.240 nan 0.000 0.544 298 A N 1.172 124.092 122.820 0.167 0.000 2.267 298 A HA 0.513 4.833 4.320 0.000 0.000 0.271 298 A C 0.602 178.283 177.584 0.162 0.000 1.131 298 A CA -0.367 51.763 52.037 0.155 0.000 0.818 298 A CB -0.214 18.851 19.000 0.107 0.000 1.118 298 A HN 0.592 nan 8.150 nan 0.000 0.501 299 N N -0.769 118.007 118.700 0.127 0.000 2.738 299 N HA -0.154 4.586 4.740 0.000 0.000 0.249 299 N C -0.695 174.851 175.510 0.060 0.000 1.047 299 N CA 0.794 53.920 53.050 0.126 0.000 0.707 299 N CB -1.210 37.423 38.487 0.242 0.000 0.937 299 N HN 0.736 nan 8.380 nan 0.000 0.545 300 Q N 0.642 120.438 119.800 -0.006 0.000 2.315 300 Q HA 0.140 4.480 4.340 0.000 0.000 0.289 300 Q C 0.597 176.526 176.000 -0.119 0.000 1.044 300 Q CA 0.571 56.296 55.803 -0.130 0.000 0.920 300 Q CB 0.547 29.164 28.738 -0.201 0.000 1.214 300 Q HN 0.479 nan 8.270 nan 0.000 0.392 301 R N 1.182 121.576 120.500 -0.177 0.000 2.734 301 R HA 0.633 4.973 4.340 0.000 0.000 0.271 301 R C -3.049 173.128 176.300 -0.204 0.000 1.021 301 R CA -2.061 53.945 56.100 -0.157 0.000 0.893 301 R CB 0.395 30.611 30.300 -0.140 0.000 1.244 301 R HN 0.262 nan 8.270 nan 0.000 0.464 302 P HA 0.141 nan 4.420 nan 0.000 0.274 302 P C -0.367 176.800 177.300 -0.222 0.000 1.256 302 P CA -0.491 62.488 63.100 -0.202 0.000 0.795 302 P CB 0.493 32.081 31.700 -0.187 0.000 1.038 303 M N 0.554 120.027 119.600 -0.212 0.000 2.240 303 M HA -0.022 4.458 4.480 0.000 0.000 0.317 303 M C 1.989 178.236 176.300 -0.088 0.000 1.087 303 M CA 0.478 55.695 55.300 -0.138 0.000 1.176 303 M CB -0.010 32.586 32.600 -0.008 0.000 1.439 303 M HN 0.467 nan 8.290 nan 0.000 0.452 304 Q N 1.159 120.968 119.800 0.016 0.000 2.133 304 Q HA -0.264 4.076 4.340 0.000 0.000 0.208 304 Q C 1.594 177.625 176.000 0.051 0.000 0.991 304 Q CA 2.568 58.408 55.803 0.062 0.000 0.867 304 Q CB -0.198 28.641 28.738 0.169 0.000 0.911 304 Q HN 0.890 nan 8.270 nan 0.000 0.417 305 H N -2.339 116.680 119.070 -0.085 0.000 2.555 305 H HA 0.129 4.686 4.556 0.000 0.000 0.269 305 H C 1.113 176.388 175.328 -0.088 0.000 0.988 305 H CA 0.476 56.473 56.048 -0.085 0.000 1.178 305 H CB 0.193 29.887 29.762 -0.113 0.000 1.373 305 H HN 0.109 nan 8.280 nan 0.000 0.588 306 R N 0.438 120.638 120.500 -0.501 0.000 2.508 306 R HA 0.273 4.613 4.340 0.000 0.000 0.300 306 R C -0.326 175.844 176.300 -0.218 0.000 0.970 306 R CA -0.145 55.712 56.100 -0.404 0.000 1.102 306 R CB 1.093 31.094 30.300 -0.499 0.000 1.246 306 R HN 0.091 nan 8.270 nan 0.000 0.539 307 S N 1.038 116.645 115.700 -0.156 0.000 2.586 307 S HA 0.492 4.962 4.470 0.000 0.000 0.274 307 S C 0.301 174.855 174.600 -0.076 0.000 1.281 307 S CA -0.667 57.470 58.200 -0.105 0.000 1.035 307 S CB 1.615 64.767 63.200 -0.081 0.000 0.962 307 S HN 0.349 nan 8.310 nan 0.000 0.512 308 A N 3.223 126.012 122.820 -0.052 0.000 2.366 308 A HA 0.379 4.699 4.320 0.000 0.000 0.250 308 A C -1.090 176.455 177.584 -0.066 0.000 1.099 308 A CA -0.932 51.088 52.037 -0.029 0.000 0.794 308 A CB -0.637 18.373 19.000 0.018 0.000 1.056 308 A HN 0.628 nan 8.150 nan 0.000 0.499 309 P HA 0.021 nan 4.420 nan 0.000 0.221 309 P C -0.302 176.646 177.300 -0.587 0.000 1.150 309 P CA 1.153 64.045 63.100 -0.347 0.000 0.800 309 P CB 0.003 31.453 31.700 -0.417 0.000 0.787 310 F N -0.771 119.188 119.950 0.015 0.000 2.520 310 F HA 0.454 4.981 4.527 0.000 0.000 0.322 310 F C 0.227 176.035 175.800 0.013 0.000 1.103 310 F CA -1.074 56.936 58.000 0.017 0.000 0.926 310 F CB 1.424 40.432 39.000 0.013 0.000 1.154 310 F HN -0.385 nan 8.300 nan 0.000 0.453 311 L N 2.498 123.828 121.223 0.178 0.000 2.354 311 L HA 0.523 4.864 4.340 0.000 0.000 0.269 311 L C -0.890 176.042 176.870 0.104 0.000 1.005 311 L CA -0.729 54.176 54.840 0.110 0.000 0.819 311 L CB 1.669 43.776 42.059 0.080 0.000 1.311 311 L HN 0.437 nan 8.230 nan 0.000 0.423 312 D N 1.571 122.015 120.400 0.073 0.000 2.233 312 D HA 0.525 5.165 4.640 0.000 0.000 0.240 312 D C -0.809 175.521 176.300 0.050 0.000 1.074 312 D CA -0.061 53.972 54.000 0.055 0.000 0.838 312 D CB 2.528 43.352 40.800 0.040 0.000 1.124 312 D HN 0.055 nan 8.370 nan 0.000 0.475 313 V N 1.750 121.688 119.914 0.040 0.000 2.914 313 V HA 0.281 4.401 4.120 0.000 0.000 0.314 313 V C -0.134 175.971 176.094 0.019 0.000 1.084 313 V CA -0.829 61.491 62.300 0.034 0.000 0.963 313 V CB 2.706 34.535 31.823 0.009 0.000 1.025 313 V HN 0.446 nan 8.190 nan 0.000 0.432 314 E N 3.294 123.505 120.200 0.017 0.000 2.191 314 E HA 0.680 5.031 4.350 0.000 0.000 0.278 314 E C -1.008 175.576 176.600 -0.026 0.000 0.972 314 E CA -0.569 55.836 56.400 0.008 0.000 0.804 314 E CB 1.640 31.354 29.700 0.024 0.000 1.110 314 E HN 0.667 nan 8.360 nan 0.000 0.394 315 M N 4.367 123.947 119.600 -0.033 0.000 2.446 315 M HA 0.348 4.829 4.480 0.000 0.000 0.294 315 M C -1.640 174.621 176.300 -0.065 0.000 1.158 315 M CA -0.868 54.390 55.300 -0.070 0.000 0.899 315 M CB 1.976 34.549 32.600 -0.046 0.000 1.687 315 M HN 0.404 nan 8.290 nan 0.000 0.455 316 V N 3.579 123.413 119.914 -0.135 0.000 2.881 316 V HA 0.176 4.296 4.120 0.000 0.000 0.303 316 V C 0.318 176.430 176.094 0.029 0.000 1.070 316 V CA -0.241 62.008 62.300 -0.085 0.000 1.074 316 V CB 1.494 33.081 31.823 -0.394 0.000 1.012 316 V HN 0.960 nan 8.190 nan 0.000 0.482 317 N N 2.667 121.447 118.700 0.133 0.000 2.482 317 N HA 0.033 4.773 4.740 0.000 0.000 0.260 317 N C 0.193 175.779 175.510 0.126 0.000 1.236 317 N CA -0.571 52.542 53.050 0.105 0.000 0.938 317 N CB 0.730 39.267 38.487 0.084 0.000 1.128 317 N HN 0.650 nan 8.380 nan 0.000 0.448 318 D N 1.652 122.096 120.400 0.073 0.000 2.323 318 D HA -0.117 4.523 4.640 0.000 0.000 0.209 318 D C 1.176 177.495 176.300 0.032 0.000 0.973 318 D CA 0.608 54.641 54.000 0.055 0.000 0.874 318 D CB 0.206 41.042 40.800 0.061 0.000 0.930 318 D HN 0.704 nan 8.370 nan 0.000 0.521 319 E N 1.288 121.498 120.200 0.016 0.000 2.049 319 E HA -0.159 4.191 4.350 0.000 0.000 0.198 319 E C -0.923 175.636 176.600 -0.068 0.000 1.007 319 E CA 1.293 57.679 56.400 -0.023 0.000 0.809 319 E CB -0.360 29.318 29.700 -0.036 0.000 0.749 319 E HN 0.173 nan 8.360 nan 0.000 0.450 320 P HA 0.070 nan 4.420 nan 0.000 0.255 320 P C 0.369 177.598 177.300 -0.118 0.000 1.301 320 P CA 0.350 63.299 63.100 -0.251 0.000 0.817 320 P CB 0.112 31.404 31.700 -0.680 0.000 1.259 321 L N -0.602 120.581 121.223 -0.068 0.000 2.552 321 L HA -0.064 4.276 4.340 0.000 0.000 0.227 321 L C 1.468 178.098 176.870 -0.400 0.000 1.146 321 L CA 0.657 55.357 54.840 -0.233 0.000 0.858 321 L CB -0.536 41.209 42.059 -0.523 0.000 0.969 321 L HN -0.058 nan 8.230 nan 0.000 0.451 322 D N -0.242 120.056 120.400 -0.171 0.000 2.149 322 D HA -0.194 4.446 4.640 0.000 0.000 0.198 322 D C 2.281 178.580 176.300 -0.002 0.000 0.990 322 D CA 2.006 55.989 54.000 -0.028 0.000 0.839 322 D CB -0.259 40.563 40.800 0.037 0.000 0.948 322 D HN 0.367 nan 8.370 nan 0.000 0.460 323 T N -1.640 112.903 114.554 -0.019 0.000 2.915 323 T HA -0.075 4.275 4.350 0.000 0.000 0.269 323 T C 2.122 176.840 174.700 0.030 0.000 1.071 323 T CA 0.752 62.864 62.100 0.019 0.000 1.132 323 T CB -0.560 68.322 68.868 0.022 0.000 0.878 323 T HN -0.009 nan 8.240 nan 0.000 0.479 324 V N 0.262 120.167 119.914 -0.015 0.000 2.379 324 V HA -0.076 4.044 4.120 0.000 0.000 0.245 324 V C 2.483 178.609 176.094 0.054 0.000 1.044 324 V CA 1.263 63.548 62.300 -0.025 0.000 1.036 324 V CB -0.881 30.862 31.823 -0.133 0.000 0.664 324 V HN 0.386 nan 8.190 nan 0.000 0.453 325 Y N -0.427 119.880 120.300 0.012 0.000 2.181 325 Y HA -0.190 4.360 4.550 0.000 0.000 0.288 325 Y C 2.236 178.131 175.900 -0.010 0.000 1.146 325 Y CA 1.035 59.130 58.100 -0.008 0.000 1.164 325 Y CB -1.020 37.437 38.460 -0.004 0.000 0.982 325 Y HN 0.192 nan 8.280 nan 0.000 0.515 326 L N 0.200 121.524 121.223 0.168 0.000 2.046 326 L HA -0.113 4.227 4.340 0.000 0.000 0.208 326 L C 2.352 179.262 176.870 0.067 0.000 1.077 326 L CA 1.998 56.894 54.840 0.093 0.000 0.747 326 L CB -1.136 40.966 42.059 0.072 0.000 0.896 326 L HN 0.116 nan 8.230 nan 0.000 0.432 327 A N -0.663 122.195 122.820 0.063 0.000 1.933 327 A HA -0.082 4.238 4.320 0.000 0.000 0.218 327 A C 2.435 180.037 177.584 0.029 0.000 1.175 327 A CA 1.719 53.782 52.037 0.044 0.000 0.628 327 A CB -1.052 17.973 19.000 0.041 0.000 0.814 327 A HN 0.564 nan 8.150 nan 0.000 0.444 328 A N -0.582 122.262 122.820 0.039 0.000 1.873 328 A HA 0.033 4.353 4.320 0.000 0.000 0.215 328 A C 2.226 179.798 177.584 -0.020 0.000 1.186 328 A CA 1.676 53.718 52.037 0.007 0.000 0.616 328 A CB -0.925 18.093 19.000 0.030 0.000 0.823 328 A HN 0.360 nan 8.150 nan 0.000 0.442 329 V N 0.782 120.692 119.914 -0.008 0.000 2.295 329 V HA -0.262 3.858 4.120 0.000 0.000 0.246 329 V C 2.198 178.287 176.094 -0.007 0.000 1.049 329 V CA 2.406 64.688 62.300 -0.031 0.000 1.024 329 V CB -0.844 30.970 31.823 -0.016 0.000 0.648 329 V HN 0.499 nan 8.190 nan 0.000 0.447 330 D N 0.256 120.670 120.400 0.023 0.000 2.144 330 D HA -0.134 4.506 4.640 0.000 0.000 0.199 330 D C 2.436 178.745 176.300 0.015 0.000 0.984 330 D CA 1.774 55.806 54.000 0.053 0.000 0.834 330 D CB -0.351 40.493 40.800 0.073 0.000 0.955 330 D HN 0.593 nan 8.370 nan 0.000 0.465 331 S N -0.034 115.655 115.700 -0.018 0.000 2.402 331 S HA -0.106 4.364 4.470 0.000 0.000 0.229 331 S C 2.178 176.738 174.600 -0.068 0.000 1.021 331 S CA 0.872 59.038 58.200 -0.056 0.000 0.974 331 S CB -0.540 62.633 63.200 -0.045 0.000 0.800 331 S HN 0.088 nan 8.310 nan 0.000 0.484 332 V N 2.288 122.165 119.914 -0.061 0.000 2.358 332 V HA -0.129 3.991 4.120 0.000 0.000 0.246 332 V C 2.838 178.913 176.094 -0.031 0.000 1.047 332 V CA 2.139 64.396 62.300 -0.071 0.000 1.035 332 V CB -0.859 30.887 31.823 -0.129 0.000 0.658 332 V HN 0.667 nan 8.190 nan 0.000 0.452 333 E N 0.277 120.478 120.200 0.003 0.000 2.077 333 E HA -0.297 4.053 4.350 0.000 0.000 0.193 333 E C 2.243 178.873 176.600 0.051 0.000 0.989 333 E CA 1.686 58.131 56.400 0.077 0.000 0.800 333 E CB -0.094 29.692 29.700 0.142 0.000 0.746 333 E HN 0.723 nan 8.360 nan 0.000 0.452 334 E N -0.176 119.953 120.200 -0.119 0.000 2.106 334 E HA -0.174 4.176 4.350 0.000 0.000 0.192 334 E C 1.911 178.342 176.600 -0.283 0.000 0.984 334 E CA 0.933 57.008 56.400 -0.542 0.000 0.806 334 E CB -0.128 29.047 29.700 -0.875 0.000 0.750 334 E HN 0.352 nan 8.360 nan 0.000 0.458 335 A N 0.404 123.138 122.820 -0.144 0.000 1.902 335 A HA -0.135 4.185 4.320 0.000 0.000 0.217 335 A C 2.378 179.958 177.584 -0.006 0.000 1.181 335 A CA 1.362 53.357 52.037 -0.069 0.000 0.623 335 A CB -0.627 18.350 19.000 -0.038 0.000 0.818 335 A HN 0.225 nan 8.150 nan 0.000 0.443 336 V N -0.356 119.580 119.914 0.036 0.000 2.295 336 V HA -0.231 3.889 4.120 0.000 0.000 0.246 336 V C 2.597 178.755 176.094 0.107 0.000 1.049 336 V CA 2.065 64.439 62.300 0.123 0.000 1.024 336 V CB -0.703 31.244 31.823 0.205 0.000 0.648 336 V HN 0.384 nan 8.190 nan 0.000 0.447 337 V N 0.316 120.277 119.914 0.079 0.000 2.343 337 V HA -0.290 3.830 4.120 0.000 0.000 0.247 337 V C 2.072 178.182 176.094 0.025 0.000 1.051 337 V CA 2.388 64.735 62.300 0.079 0.000 1.036 337 V CB -1.097 30.840 31.823 0.190 0.000 0.654 337 V HN 0.619 nan 8.190 nan 0.000 0.451 338 N N 0.210 118.892 118.700 -0.031 0.000 2.149 338 N HA -0.199 4.541 4.740 0.000 0.000 0.188 338 N C 1.935 177.444 175.510 -0.001 0.000 1.019 338 N CA 1.208 54.234 53.050 -0.040 0.000 0.857 338 N CB -0.256 38.187 38.487 -0.075 0.000 0.997 338 N HN 0.514 nan 8.380 nan 0.000 0.426 339 A N 1.141 123.977 122.820 0.026 0.000 1.902 339 A HA -0.148 4.172 4.320 0.000 0.000 0.217 339 A C 2.145 179.761 177.584 0.054 0.000 1.181 339 A CA 1.273 53.337 52.037 0.045 0.000 0.623 339 A CB -0.429 18.618 19.000 0.080 0.000 0.818 339 A HN 0.209 nan 8.150 nan 0.000 0.443 340 M N -0.679 118.960 119.600 0.064 0.000 2.132 340 M HA -0.084 4.396 4.480 0.000 0.000 0.263 340 M C 1.806 178.125 176.300 0.032 0.000 1.065 340 M CA 1.087 56.419 55.300 0.054 0.000 1.122 340 M CB -0.382 32.242 32.600 0.039 0.000 1.365 340 M HN 0.276 nan 8.290 nan 0.000 0.411 341 I N 0.423 121.002 120.570 0.014 0.000 2.394 341 I HA -0.140 4.030 4.170 0.000 0.000 0.251 341 I C 2.547 178.723 176.117 0.099 0.000 1.136 341 I CA 1.266 62.575 61.300 0.015 0.000 1.425 341 I CB -1.545 36.388 38.000 -0.113 0.000 1.079 341 I HN 0.190 nan 8.210 nan 0.000 0.425 342 A N 0.538 123.387 122.820 0.049 0.000 2.072 342 A HA 0.359 4.679 4.320 0.000 0.000 0.216 342 A C 1.584 179.189 177.584 0.035 0.000 1.156 342 A CA 0.536 52.598 52.037 0.042 0.000 0.701 342 A CB -0.442 18.562 19.000 0.007 0.000 0.816 342 A HN 0.305 nan 8.150 nan 0.000 0.458 343 A N 0.094 122.938 122.820 0.039 0.000 2.366 343 A HA 0.508 4.828 4.320 0.000 0.000 0.249 343 A C 0.004 177.601 177.584 0.022 0.000 1.084 343 A CA -0.093 51.960 52.037 0.026 0.000 0.794 343 A CB 0.147 19.172 19.000 0.042 0.000 1.034 343 A HN 0.520 nan 8.150 nan 0.000 0.491 344 E N 0.057 120.263 120.200 0.009 0.000 2.312 344 E HA 0.340 4.690 4.350 0.000 0.000 0.267 344 E C -1.378 175.228 176.600 0.010 0.000 0.894 344 E CA -1.019 55.381 56.400 0.000 0.000 0.773 344 E CB 1.237 30.931 29.700 -0.010 0.000 1.241 344 E HN 0.642 nan 8.360 nan 0.000 0.432 345 D N 1.556 121.961 120.400 0.009 0.000 2.506 345 D HA 0.056 4.696 4.640 0.000 0.000 0.234 345 D C -0.431 175.876 176.300 0.012 0.000 1.143 345 D CA 0.989 55.001 54.000 0.019 0.000 0.871 345 D CB 0.397 41.205 40.800 0.014 0.000 1.190 345 D HN 0.257 nan 8.370 nan 0.000 0.459 346 M N 0.750 120.360 119.600 0.016 0.000 2.470 346 M HA 0.489 4.969 4.480 0.000 0.000 0.285 346 M C 0.007 176.312 176.300 0.010 0.000 1.213 346 M CA 0.030 55.335 55.300 0.009 0.000 0.901 346 M CB 1.936 34.538 32.600 0.004 0.000 1.718 346 M HN 0.603 nan 8.290 nan 0.000 0.469 347 G N 1.903 110.710 108.800 0.012 0.000 2.508 347 G HA2 0.197 4.157 3.960 0.000 0.000 0.220 347 G HA3 0.197 4.157 3.960 0.000 0.000 0.220 347 G C 0.445 175.354 174.900 0.014 0.000 1.287 347 G CA 0.217 45.327 45.100 0.015 0.000 0.916 347 G HN 2.172 nan 8.290 nan 0.000 0.574 348 G N -2.081 106.723 108.800 0.007 0.000 2.162 348 G HA2 0.161 4.121 3.960 0.000 0.000 0.260 348 G HA3 0.161 4.121 3.960 0.000 0.000 0.260 348 G C 1.254 176.145 174.900 -0.015 0.000 0.976 348 G CA 1.961 47.058 45.100 -0.005 0.000 0.655 348 G HN 2.808 nan 8.290 nan 0.000 0.533 349 T N -2.231 112.323 114.554 -0.000 0.000 2.824 349 T HA 0.617 4.967 4.350 0.000 0.000 0.277 349 T C -0.587 174.039 174.700 -0.122 0.000 0.975 349 T CA -0.687 61.400 62.100 -0.022 0.000 0.966 349 T CB 1.813 70.733 68.868 0.086 0.000 1.054 349 T HN -0.091 nan 8.240 nan 0.000 0.533 350 P HA 0.005 nan 4.420 nan 0.000 0.219 350 P C 0.730 177.720 177.300 -0.517 0.000 1.146 350 P CA 1.030 63.832 63.100 -0.496 0.000 0.808 350 P CB -0.183 31.047 31.700 -0.783 0.000 0.779 351 F N -1.394 118.551 119.950 -0.009 0.000 2.797 351 F HA 0.111 4.638 4.527 0.000 0.000 0.302 351 F C 1.032 176.824 175.800 -0.013 0.000 1.130 351 F CA 0.026 58.020 58.000 -0.010 0.000 1.387 351 F CB -0.582 38.412 39.000 -0.010 0.000 1.107 351 F HN -0.137 nan 8.300 nan 0.000 0.577 352 D N -0.049 120.403 120.400 0.087 0.000 2.277 352 D HA 0.269 4.909 4.640 0.000 0.000 0.250 352 D C 1.079 177.390 176.300 0.019 0.000 1.032 352 D CA -0.423 53.609 54.000 0.053 0.000 0.947 352 D CB 1.416 42.237 40.800 0.034 0.000 1.159 352 D HN 0.050 nan 8.370 nan 0.000 0.460 353 R N -0.110 120.397 120.500 0.013 0.000 2.237 353 R HA 0.117 4.457 4.340 0.000 0.000 0.195 353 R C -0.238 176.058 176.300 -0.008 0.000 0.956 353 R CA 0.336 56.436 56.100 0.001 0.000 1.029 353 R CB 0.245 30.547 30.300 0.003 0.000 0.972 353 R HN 0.251 nan 8.270 nan 0.000 0.493 354 L N -1.040 120.179 121.223 -0.007 0.000 2.341 354 L HA 0.519 4.859 4.340 0.000 0.000 0.254 354 L C -0.950 175.915 176.870 -0.008 0.000 1.040 354 L CA -1.348 53.485 54.840 -0.012 0.000 0.837 354 L CB 0.524 42.573 42.059 -0.017 0.000 1.425 354 L HN -0.278 nan 8.230 nan 0.000 0.414 355 L N 0.875 122.093 121.223 -0.009 0.000 2.343 355 L HA 0.807 5.147 4.340 0.000 0.000 0.278 355 L C -1.269 175.602 176.870 0.002 0.000 0.996 355 L CA -0.372 54.467 54.840 -0.001 0.000 0.831 355 L CB 1.764 43.822 42.059 -0.001 0.000 1.232 355 L HN 0.363 nan 8.230 nan 0.000 0.413 356 V N 5.356 125.277 119.914 0.011 0.000 2.370 356 V HA 0.467 4.587 4.120 0.000 0.000 0.279 356 V C 0.027 176.156 176.094 0.058 0.000 1.029 356 V CA -0.489 61.825 62.300 0.024 0.000 0.870 356 V CB 1.148 32.984 31.823 0.022 0.000 0.984 356 V HN 0.802 nan 8.190 nan 0.000 0.451 357 Q N 2.673 122.530 119.800 0.096 0.000 2.222 357 Q HA 0.724 5.064 4.340 0.000 0.000 0.252 357 Q C 0.095 176.227 176.000 0.220 0.000 0.926 357 Q CA -0.530 55.353 55.803 0.134 0.000 0.899 357 Q CB 1.920 30.746 28.738 0.148 0.000 1.250 357 Q HN 0.884 nan 8.270 nan 0.000 0.441 358 A N 2.130 125.025 122.820 0.125 0.000 2.371 358 A HA 0.282 4.602 4.320 0.000 0.000 0.257 358 A C -0.125 177.445 177.584 -0.023 0.000 1.089 358 A CA -0.497 51.588 52.037 0.079 0.000 0.794 358 A CB 0.179 19.191 19.000 0.020 0.000 1.029 358 A HN 0.849 nan 8.150 nan 0.000 0.488 359 I N 0.823 121.207 120.570 -0.309 0.000 2.710 359 I HA -0.028 4.143 4.170 0.000 0.000 0.286 359 I C 0.198 176.183 176.117 -0.220 0.000 1.181 359 I CA 0.143 61.030 61.300 -0.689 0.000 1.430 359 I CB 0.380 37.783 38.000 -0.996 0.000 1.367 359 I HN 0.773 nan 8.210 nan 0.000 0.577 360 D N 5.683 125.987 120.400 -0.161 0.000 2.343 360 D HA 0.075 4.715 4.640 0.000 0.000 0.255 360 D C 1.035 177.356 176.300 0.034 0.000 1.187 360 D CA 0.228 54.190 54.000 -0.064 0.000 0.875 360 D CB 0.655 41.440 40.800 -0.024 0.000 1.136 360 D HN 0.562 nan 8.370 nan 0.000 0.469 361 H N 2.182 121.210 119.070 -0.070 0.000 2.321 361 H HA -0.098 4.458 4.556 0.000 0.000 0.300 361 H C 1.307 176.610 175.328 -0.042 0.000 1.087 361 H CA 0.436 56.450 56.048 -0.057 0.000 1.319 361 H CB 0.460 30.200 29.762 -0.037 0.000 1.379 361 H HN 0.479 nan 8.280 nan 0.000 0.501 362 E N 0.911 121.171 120.200 0.100 0.000 2.110 362 E HA -0.107 4.243 4.350 0.000 0.000 0.193 362 E C 2.278 178.895 176.600 0.029 0.000 0.988 362 E CA 0.590 57.020 56.400 0.050 0.000 0.804 362 E CB -0.055 29.662 29.700 0.029 0.000 0.745 362 E HN 0.400 nan 8.360 nan 0.000 0.458 363 R N 0.313 120.827 120.500 0.025 0.000 2.075 363 R HA -0.047 4.293 4.340 0.000 0.000 0.232 363 R C 2.517 178.824 176.300 0.012 0.000 1.126 363 R CA 0.522 56.636 56.100 0.022 0.000 0.963 363 R CB -0.581 29.739 30.300 0.033 0.000 0.858 363 R HN 0.225 nan 8.270 nan 0.000 0.435 364 L N 0.891 122.113 121.223 -0.002 0.000 1.989 364 L HA -0.236 4.104 4.340 0.000 0.000 0.211 364 L C 2.432 179.288 176.870 -0.023 0.000 1.071 364 L CA 1.687 56.512 54.840 -0.025 0.000 0.749 364 L CB -0.245 41.785 42.059 -0.049 0.000 0.890 364 L HN 0.185 nan 8.230 nan 0.000 0.431 365 R N -0.471 120.022 120.500 -0.011 0.000 2.091 365 R HA -0.184 4.156 4.340 0.000 0.000 0.238 365 R C 2.316 178.610 176.300 -0.010 0.000 1.136 365 R CA 1.484 57.576 56.100 -0.014 0.000 0.959 365 R CB -0.480 29.818 30.300 -0.003 0.000 0.856 365 R HN 0.505 nan 8.270 nan 0.000 0.437 366 A N 0.516 123.334 122.820 -0.004 0.000 1.877 366 A HA -0.136 4.184 4.320 0.000 0.000 0.216 366 A C 2.348 179.924 177.584 -0.013 0.000 1.186 366 A CA 1.585 53.618 52.037 -0.007 0.000 0.620 366 A CB -0.585 18.415 19.000 -0.000 0.000 0.822 366 A HN 0.133 nan 8.150 nan 0.000 0.443 367 V N 0.208 120.111 119.914 -0.018 0.000 2.343 367 V HA -0.253 3.867 4.120 0.000 0.000 0.247 367 V C 2.567 178.687 176.094 0.044 0.000 1.051 367 V CA 1.907 64.188 62.300 -0.033 0.000 1.036 367 V CB -0.815 30.961 31.823 -0.079 0.000 0.654 367 V HN 0.563 nan 8.190 nan 0.000 0.451 368 L N -0.429 120.797 121.223 0.006 0.000 2.046 368 L HA -0.203 4.137 4.340 0.000 0.000 0.208 368 L C 2.744 179.641 176.870 0.045 0.000 1.077 368 L CA 1.837 56.685 54.840 0.014 0.000 0.747 368 L CB -0.667 41.369 42.059 -0.038 0.000 0.896 368 L HN 0.268 nan 8.230 nan 0.000 0.432 369 R N 0.304 120.812 120.500 0.014 0.000 2.096 369 R HA -0.225 4.116 4.340 0.000 0.000 0.240 369 R C 2.299 178.595 176.300 -0.006 0.000 1.139 369 R CA 1.768 57.868 56.100 0.000 0.000 0.952 369 R CB -0.150 30.143 30.300 -0.012 0.000 0.854 369 R HN 0.464 nan 8.270 nan 0.000 0.436 370 Q N -1.228 118.559 119.800 -0.021 0.000 2.297 370 Q HA -0.189 4.151 4.340 0.000 0.000 0.208 370 Q C 0.663 176.532 176.000 -0.219 0.000 0.981 370 Q CA 1.305 57.031 55.803 -0.128 0.000 0.876 370 Q CB 0.106 28.719 28.738 -0.207 0.000 0.921 370 Q HN 0.509 nan 8.270 nan 0.000 0.446 371 Y N -0.779 119.479 120.300 -0.069 0.000 2.607 371 Y HA 0.267 4.817 4.550 0.000 0.000 0.266 371 Y C 1.074 176.948 175.900 -0.044 0.000 1.178 371 Y CA 0.067 58.137 58.100 -0.051 0.000 1.226 371 Y CB 0.907 39.333 38.460 -0.057 0.000 1.144 371 Y HN 0.114 nan 8.280 nan 0.000 0.528 372 G N 1.273 110.110 108.800 0.061 0.000 2.295 372 G HA2 -0.359 3.601 3.960 0.000 0.000 0.287 372 G HA3 -0.359 3.601 3.960 0.000 0.000 0.287 372 G C 0.725 175.636 174.900 0.019 0.000 1.055 372 G CA 0.334 45.448 45.100 0.025 0.000 0.922 372 G HN 0.394 nan 8.290 nan 0.000 0.503 373 R N -1.495 119.014 120.500 0.015 0.000 2.590 373 R HA 0.409 4.749 4.340 0.000 0.000 0.410 373 R C 0.157 176.428 176.300 -0.048 0.000 1.010 373 R CA -0.388 55.697 56.100 -0.025 0.000 1.155 373 R CB 0.368 30.648 30.300 -0.034 0.000 1.455 373 R HN 0.329 nan 8.270 nan 0.000 0.567 374 L N 1.114 122.319 121.223 -0.030 0.000 2.262 374 L HA 0.647 4.987 4.340 0.000 0.000 0.288 374 L C 0.023 176.874 176.870 -0.032 0.000 1.035 374 L CA -0.501 54.318 54.840 -0.035 0.000 0.820 374 L CB 0.858 42.903 42.059 -0.024 0.000 1.204 374 L HN 0.184 nan 8.230 nan 0.000 0.424 375 A N 0.000 122.797 122.820 -0.039 0.000 2.254 375 A HA 0.000 4.320 4.320 0.000 0.000 0.244 375 A CA 0.000 52.020 52.037 -0.029 0.000 0.836 375 A CB 0.000 18.981 19.000 -0.031 0.000 0.831 375 A HN 0.000 nan 8.150 nan 0.000 0.486