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 1wyb_1_A DATA FIRST_RESID 5 DATA SEQUENCE STGQHPARYP GAAAGEPTLD SWQEPPHNRW AFAHLGEMVP SAAVSRRPXX DATA SEQUENCE XXGHALARLG AIAAQLPDLE QRLEQTYTDA FLVLRGTEVV AEYYRAGFAP DATA SEQUENCE DDRHLLMSVS KSLCGTVVGA LVDEGRIDPA QPVTEYVPEL AGSVYDGPSV DATA SEQUENCE LQVLDMQISI DYNEXXXXXX SEVQTHGRSA GWRTRRHGDP ADTYEFLTTL DATA SEQUENCE RGDGSTGEFQ YCSANTDVLA WIVERVTGLR YVEALSTYLW AKLDADRDAT DATA SEQUENCE ITVDTTGFGF AHGGVSCTAR DLARVGRMML DGGVAPGGRV VSEDWVRRVL DATA SEQUENCE AGGSHEAMTD KGFTNTFPDG SYTRQWWCTG NERGNVSGIG IHGQNLWLDP DATA SEQUENCE LTDSVIVKLS SWPDPDTEHW HRLQNGILLD VSRALDAV 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 5 S HA 0.000 nan 4.470 nan 0.000 0.327 5 S C 0.000 174.647 174.600 0.078 0.000 1.055 5 S CA 0.000 58.225 58.200 0.041 0.000 1.107 5 S CB 0.000 63.207 63.200 0.012 0.000 0.593 6 T N -0.577 114.033 114.554 0.093 0.000 3.134 6 T HA 0.626 4.977 4.350 0.002 0.000 0.260 6 T C 1.321 176.052 174.700 0.053 0.000 1.027 6 T CA 0.568 62.794 62.100 0.210 0.000 0.913 6 T CB -0.534 68.463 68.868 0.214 0.000 1.046 6 T HN 2.401 nan 8.240 nan 0.000 0.553 7 G N 1.553 110.291 108.800 -0.103 0.000 2.698 7 G HA2 -0.237 3.725 3.960 0.002 0.000 0.233 7 G HA3 -0.237 3.725 3.960 0.002 0.000 0.233 7 G C -0.535 174.051 174.900 -0.524 0.000 1.352 7 G CA -0.374 44.597 45.100 -0.216 0.000 0.879 7 G HN 0.799 nan 8.290 nan 0.000 0.567 8 Q N 0.251 119.812 119.800 -0.398 0.000 2.332 8 Q HA 0.466 4.808 4.340 0.002 0.000 0.263 8 Q C -0.129 175.510 176.000 -0.602 0.000 0.979 8 Q CA -0.189 55.380 55.803 -0.390 0.000 0.885 8 Q CB 0.298 28.931 28.738 -0.175 0.000 1.218 8 Q HN 0.629 nan 8.270 nan 0.000 0.405 9 H N 2.793 121.770 119.070 -0.155 0.000 2.797 9 H HA 0.400 4.957 4.556 0.002 0.000 0.372 9 H C -2.250 173.033 175.328 -0.074 0.000 1.168 9 H CA -2.278 53.664 56.048 -0.176 0.000 1.163 9 H CB 1.092 30.651 29.762 -0.339 0.000 1.778 9 H HN 0.614 nan 8.280 nan 0.000 0.551 10 P HA 0.146 nan 4.420 nan 0.000 0.267 10 P C -0.457 176.841 177.300 -0.004 0.000 1.205 10 P CA -0.206 62.933 63.100 0.064 0.000 0.765 10 P CB 0.347 32.115 31.700 0.114 0.000 0.828 11 A N 3.334 126.107 122.820 -0.078 0.000 2.445 11 A HA 0.085 4.406 4.320 0.002 0.000 0.242 11 A C 1.655 179.076 177.584 -0.271 0.000 1.075 11 A CA -0.153 51.765 52.037 -0.199 0.000 0.777 11 A CB 0.110 18.961 19.000 -0.249 0.000 1.013 11 A HN 0.510 nan 8.150 nan 0.000 0.493 12 R N 0.199 120.440 120.500 -0.431 0.000 2.120 12 R HA -0.055 4.286 4.340 0.002 0.000 0.234 12 R C -0.073 175.828 176.300 -0.665 0.000 1.123 12 R CA 2.235 57.985 56.100 -0.583 0.000 0.975 12 R CB -0.360 29.469 30.300 -0.785 0.000 0.866 12 R HN 0.856 nan 8.270 nan 0.000 0.446 13 Y N -5.100 114.902 120.300 -0.496 0.000 2.655 13 Y HA 0.607 5.159 4.550 0.003 0.000 0.336 13 Y C -2.815 173.009 175.900 -0.128 0.000 1.154 13 Y CA -3.914 53.992 58.100 -0.325 0.000 1.055 13 Y CB 0.214 38.470 38.460 -0.340 0.000 1.295 13 Y HN -0.252 nan 8.280 nan 0.000 0.465 14 P HA 0.193 nan 4.420 nan 0.000 0.258 14 P C 0.763 178.120 177.300 0.096 0.000 1.187 14 P CA 2.349 65.506 63.100 0.095 0.000 0.767 14 P CB 0.325 32.103 31.700 0.130 0.000 0.770 15 G N 2.415 111.192 108.800 -0.038 0.000 2.176 15 G HA2 -0.185 3.777 3.960 0.002 0.000 0.253 15 G HA3 -0.185 3.777 3.960 0.002 0.000 0.253 15 G C 0.455 175.267 174.900 -0.147 0.000 0.979 15 G CA -0.090 44.989 45.100 -0.035 0.000 0.641 15 G HN 0.848 nan 8.290 nan 0.000 0.530 16 A N 0.287 122.812 122.820 -0.491 0.000 2.498 16 A HA 0.768 5.089 4.320 0.002 0.000 0.239 16 A C 1.120 178.528 177.584 -0.293 0.000 1.068 16 A CA 1.151 52.766 52.037 -0.703 0.000 0.766 16 A CB 0.320 18.468 19.000 -1.419 0.000 1.003 16 A HN 2.114 nan 8.150 nan 0.000 0.497 17 A N 1.687 124.428 122.820 -0.132 0.000 2.346 17 A HA 0.571 4.892 4.320 0.002 0.000 0.252 17 A C 0.970 178.499 177.584 -0.092 0.000 1.089 17 A CA 0.124 52.122 52.037 -0.064 0.000 0.797 17 A CB -0.247 18.764 19.000 0.018 0.000 1.047 17 A HN 2.315 nan 8.150 nan 0.000 0.494 18 A N -0.143 122.641 122.820 -0.060 0.000 2.548 18 A HA 0.461 4.782 4.320 0.002 0.000 0.247 18 A C 1.613 179.175 177.584 -0.038 0.000 1.067 18 A CA 0.873 52.881 52.037 -0.047 0.000 0.757 18 A CB -1.067 17.917 19.000 -0.027 0.000 0.996 18 A HN 2.750 nan 8.150 nan 0.000 0.504 19 G N 1.446 110.220 108.800 -0.042 0.000 2.179 19 G HA2 -0.186 3.776 3.960 0.002 0.000 0.260 19 G HA3 -0.186 3.776 3.960 0.002 0.000 0.260 19 G C 0.031 174.891 174.900 -0.066 0.000 0.977 19 G CA 0.468 45.548 45.100 -0.032 0.000 0.641 19 G HN 0.811 nan 8.290 nan 0.000 0.533 20 E N 1.247 121.377 120.200 -0.116 0.000 2.204 20 E HA 0.470 4.821 4.350 0.002 0.000 0.276 20 E C -2.204 174.276 176.600 -0.199 0.000 0.974 20 E CA -1.623 54.668 56.400 -0.182 0.000 0.815 20 E CB 2.371 31.986 29.700 -0.141 0.000 1.119 20 E HN 0.274 nan 8.360 nan 0.000 0.393 21 P HA 0.164 nan 4.420 nan 0.000 0.281 21 P C -0.286 177.009 177.300 -0.010 0.000 1.281 21 P CA -0.312 62.658 63.100 -0.217 0.000 0.811 21 P CB 0.862 32.569 31.700 0.010 0.000 1.154 22 T N -2.554 112.022 114.554 0.036 0.000 2.938 22 T HA 0.248 4.599 4.350 0.002 0.000 0.285 22 T C 1.086 175.949 174.700 0.272 0.000 1.028 22 T CA -0.729 61.441 62.100 0.117 0.000 1.005 22 T CB 0.289 69.201 68.868 0.073 0.000 1.157 22 T HN 0.124 nan 8.240 nan 0.000 0.550 23 L N 0.367 121.741 121.223 0.252 0.000 2.261 23 L HA 0.015 4.356 4.340 0.002 0.000 0.216 23 L C 1.374 178.479 176.870 0.392 0.000 1.114 23 L CA 1.873 56.937 54.840 0.373 0.000 0.777 23 L CB -0.805 41.382 42.059 0.214 0.000 0.910 23 L HN 0.696 nan 8.230 nan 0.000 0.440 24 D N -2.339 118.184 120.400 0.205 0.000 2.369 24 D HA 0.083 4.725 4.640 0.002 0.000 0.211 24 D C 1.691 177.999 176.300 0.014 0.000 1.077 24 D CA 0.970 55.020 54.000 0.083 0.000 0.842 24 D CB 0.525 41.364 40.800 0.063 0.000 0.947 24 D HN 0.516 nan 8.370 nan 0.000 0.509 25 S N -0.398 115.340 115.700 0.063 0.000 2.632 25 S HA -0.010 4.462 4.470 0.002 0.000 0.237 25 S C 1.737 176.412 174.600 0.125 0.000 1.037 25 S CA -0.798 57.439 58.200 0.062 0.000 1.009 25 S CB -0.717 62.515 63.200 0.053 0.000 0.974 25 S HN 0.403 nan 8.310 nan 0.000 0.544 26 W N 1.904 123.283 121.300 0.132 0.000 2.468 26 W HA 0.055 4.717 4.660 0.002 0.000 0.262 26 W C 0.958 177.600 176.519 0.204 0.000 1.241 26 W CA 0.619 58.081 57.345 0.194 0.000 1.232 26 W CB -0.786 28.802 29.460 0.214 0.000 1.124 26 W HN 0.402 nan 8.180 nan 0.000 0.597 27 Q N 1.001 120.583 119.800 -0.364 0.000 2.451 27 Q HA 0.018 4.359 4.340 0.002 0.000 0.206 27 Q C 0.135 176.087 176.000 -0.079 0.000 0.947 27 Q CA 0.657 56.302 55.803 -0.263 0.000 0.937 27 Q CB 0.111 28.529 28.738 -0.533 0.000 1.025 27 Q HN 0.430 nan 8.270 nan 0.000 0.511 28 E N 1.742 121.938 120.200 -0.007 0.000 2.248 28 E HA 0.248 4.600 4.350 0.002 0.000 0.272 28 E C -2.438 174.121 176.600 -0.067 0.000 1.008 28 E CA -2.306 54.091 56.400 -0.005 0.000 0.856 28 E CB 0.836 30.566 29.700 0.051 0.000 1.120 28 E HN -0.045 nan 8.360 nan 0.000 0.397 29 P HA 0.110 nan 4.420 nan 0.000 0.277 29 P C -2.172 174.939 177.300 -0.316 0.000 1.240 29 P CA -1.502 61.484 63.100 -0.190 0.000 0.798 29 P CB 0.615 32.241 31.700 -0.123 0.000 0.979 30 P HA 0.020 nan 4.420 nan 0.000 0.257 30 P C 0.913 178.032 177.300 -0.301 0.000 1.281 30 P CA 0.630 63.584 63.100 -0.245 0.000 0.826 30 P CB -0.133 31.505 31.700 -0.103 0.000 1.237 31 H N 1.652 120.693 119.070 -0.049 0.000 2.389 31 H HA -0.079 4.479 4.556 0.002 0.000 0.299 31 H C 1.713 176.970 175.328 -0.118 0.000 1.081 31 H CA 1.668 57.691 56.048 -0.042 0.000 1.345 31 H CB -0.930 28.955 29.762 0.206 0.000 1.393 31 H HN 0.346 nan 8.280 nan 0.000 0.520 32 N N 1.884 120.504 118.700 -0.134 0.000 2.381 32 N HA -0.129 4.612 4.740 0.002 0.000 0.182 32 N C 1.697 176.777 175.510 -0.716 0.000 1.025 32 N CA 0.605 53.343 53.050 -0.519 0.000 0.888 32 N CB -0.440 37.540 38.487 -0.846 0.000 0.965 32 N HN 0.256 nan 8.380 nan 0.000 0.438 33 R N -0.624 119.643 120.500 -0.389 0.000 2.073 33 R HA -0.133 4.209 4.340 0.002 0.000 0.234 33 R C 1.891 178.157 176.300 -0.057 0.000 1.134 33 R CA 1.569 57.538 56.100 -0.218 0.000 0.952 33 R CB -0.672 29.543 30.300 -0.141 0.000 0.850 33 R HN 0.427 nan 8.270 nan 0.000 0.433 34 W N 1.497 122.662 121.300 -0.226 0.000 2.379 34 W HA -0.083 4.579 4.660 0.003 0.000 0.307 34 W C 2.278 178.908 176.519 0.185 0.000 1.200 34 W CA 1.608 58.938 57.345 -0.024 0.000 1.297 34 W CB -0.269 29.073 29.460 -0.197 0.000 1.140 34 W HN 0.086 nan 8.180 nan 0.000 0.507 35 A N -0.205 122.696 122.820 0.134 0.000 1.933 35 A HA -0.149 4.173 4.320 0.002 0.000 0.218 35 A C 1.812 179.434 177.584 0.063 0.000 1.175 35 A CA 1.433 53.476 52.037 0.010 0.000 0.628 35 A CB -1.348 17.941 19.000 0.481 0.000 0.814 35 A HN 0.364 nan 8.150 nan 0.000 0.444 36 F N -0.245 119.694 119.950 -0.019 0.000 2.365 36 F HA 0.035 4.563 4.527 0.002 0.000 0.300 36 F C 2.422 178.106 175.800 -0.192 0.000 1.090 36 F CA 0.230 58.204 58.000 -0.045 0.000 1.408 36 F CB -0.845 38.169 39.000 0.024 0.000 1.060 36 F HN 0.301 nan 8.300 nan 0.000 0.534 37 A N -1.778 120.969 122.820 -0.122 0.000 2.348 37 A HA 0.115 4.437 4.320 0.002 0.000 0.224 37 A C 0.111 177.168 177.584 -0.878 0.000 1.227 37 A CA 0.214 51.996 52.037 -0.426 0.000 0.885 37 A CB -0.692 18.054 19.000 -0.424 0.000 0.933 37 A HN 0.431 nan 8.150 nan 0.000 0.506 38 H N -1.866 116.883 119.070 -0.534 0.000 2.907 38 H HA 0.208 4.766 4.556 0.003 0.000 0.233 38 H C 0.729 175.735 175.328 -0.537 0.000 1.285 38 H CA -0.424 55.249 56.048 -0.624 0.000 0.981 38 H CB 0.334 29.417 29.762 -1.131 0.000 2.255 38 H HN 0.208 nan 8.280 nan 0.000 0.601 39 L N 0.534 121.552 121.223 -0.342 0.000 2.191 39 L HA 0.063 4.404 4.340 0.002 0.000 0.212 39 L C 2.230 178.911 176.870 -0.315 0.000 1.103 39 L CA 1.825 56.425 54.840 -0.399 0.000 0.769 39 L CB -0.528 41.293 42.059 -0.396 0.000 0.908 39 L HN 0.524 nan 8.230 nan 0.000 0.438 40 G N -1.344 107.325 108.800 -0.218 0.000 2.498 40 G HA2 -0.207 3.755 3.960 0.002 0.000 0.219 40 G HA3 -0.207 3.755 3.960 0.002 0.000 0.219 40 G C 1.375 176.209 174.900 -0.110 0.000 1.119 40 G CA 0.524 45.531 45.100 -0.154 0.000 0.766 40 G HN 0.536 nan 8.290 nan 0.000 0.552 41 E N -0.517 119.632 120.200 -0.085 0.000 2.427 41 E HA 0.037 4.389 4.350 0.002 0.000 0.196 41 E C 1.937 178.541 176.600 0.007 0.000 1.028 41 E CA 0.324 56.734 56.400 0.016 0.000 0.864 41 E CB 0.057 29.855 29.700 0.164 0.000 0.813 41 E HN 0.363 nan 8.360 nan 0.000 0.514 42 M N -0.343 119.189 119.600 -0.114 0.000 2.730 42 M HA 0.151 4.632 4.480 0.002 0.000 0.258 42 M C 0.473 176.677 176.300 -0.160 0.000 1.279 42 M CA 0.549 55.758 55.300 -0.152 0.000 1.183 42 M CB 0.760 33.117 32.600 -0.405 0.000 1.291 42 M HN -0.251 nan 8.290 nan 0.000 0.518 43 V N 1.551 121.342 119.914 -0.205 0.000 2.638 43 V HA 0.400 4.522 4.120 0.002 0.000 0.306 43 V C -2.405 173.618 176.094 -0.119 0.000 1.052 43 V CA -1.757 60.455 62.300 -0.146 0.000 0.885 43 V CB 1.953 33.671 31.823 -0.175 0.000 0.999 43 V HN 0.073 nan 8.190 nan 0.000 0.424 44 P HA 0.232 nan 4.420 nan 0.000 0.264 44 P C -0.619 176.627 177.300 -0.090 0.000 1.183 44 P CA 0.465 63.512 63.100 -0.088 0.000 0.763 44 P CB 0.407 32.060 31.700 -0.078 0.000 0.807 45 S N 0.904 116.548 115.700 -0.094 0.000 2.546 45 S HA 0.748 5.219 4.470 0.002 0.000 0.274 45 S C -0.916 173.632 174.600 -0.087 0.000 1.121 45 S CA -0.590 57.554 58.200 -0.093 0.000 0.887 45 S CB 2.040 65.175 63.200 -0.108 0.000 1.094 45 S HN 0.510 nan 8.310 nan 0.000 0.474 46 A N 1.414 124.187 122.820 -0.079 0.000 2.340 46 A HA 0.896 5.218 4.320 0.002 0.000 0.331 46 A C 0.020 177.559 177.584 -0.075 0.000 1.140 46 A CA -0.685 51.307 52.037 -0.075 0.000 0.801 46 A CB 0.802 19.762 19.000 -0.066 0.000 1.234 46 A HN 1.121 nan 8.150 nan 0.000 0.469 47 A N 0.833 123.608 122.820 -0.075 0.000 2.388 47 A HA 0.536 4.858 4.320 0.002 0.000 0.257 47 A C -0.264 177.280 177.584 -0.066 0.000 1.095 47 A CA -0.180 51.814 52.037 -0.073 0.000 0.791 47 A CB 0.071 19.025 19.000 -0.077 0.000 1.029 47 A HN 1.126 nan 8.150 nan 0.000 0.489 48 V N 3.096 122.972 119.914 -0.063 0.000 2.311 48 V HA 0.264 4.385 4.120 0.002 0.000 0.275 48 V C 0.749 176.809 176.094 -0.056 0.000 1.022 48 V CA -0.361 61.905 62.300 -0.057 0.000 0.830 48 V CB 0.980 32.771 31.823 -0.054 0.000 1.012 48 V HN 0.954 nan 8.190 nan 0.000 0.452 49 S N 4.570 120.237 115.700 -0.055 0.000 2.533 49 S HA 0.145 4.616 4.470 0.002 0.000 0.282 49 S C 1.455 176.025 174.600 -0.050 0.000 1.304 49 S CA -0.357 57.809 58.200 -0.057 0.000 1.063 49 S CB 0.364 63.529 63.200 -0.059 0.000 0.881 49 S HN 0.849 nan 8.310 nan 0.000 0.493 50 R N 3.813 124.283 120.500 -0.050 0.000 2.275 50 R HA 0.149 4.491 4.340 0.002 0.000 0.199 50 R C 0.096 176.371 176.300 -0.041 0.000 0.989 50 R CA 0.330 56.404 56.100 -0.044 0.000 1.016 50 R CB -0.032 30.243 30.300 -0.042 0.000 0.918 50 R HN 0.445 nan 8.270 nan 0.000 0.473 51 R N 2.248 122.720 120.500 -0.046 0.000 2.407 51 R HA 0.372 4.713 4.340 0.002 0.000 0.303 51 R C -2.046 174.230 176.300 -0.042 0.000 0.981 51 R CA -2.213 53.860 56.100 -0.044 0.000 0.905 51 R CB 0.768 31.038 30.300 -0.051 0.000 1.099 51 R HN 0.091 nan 8.270 nan 0.000 0.459 58 H N 0.641 119.720 119.070 0.016 0.000 2.768 58 H HA 0.786 5.344 4.556 0.002 0.000 0.371 58 H C 0.134 175.471 175.328 0.014 0.000 1.151 58 H CA -0.172 55.888 56.048 0.020 0.000 1.165 58 H CB 1.726 31.500 29.762 0.019 0.000 1.722 58 H HN 0.383 nan 8.280 nan 0.000 0.543 59 A N 2.683 125.597 122.820 0.157 0.000 2.462 59 A HA 0.275 4.596 4.320 0.002 0.000 0.243 59 A C -0.424 177.127 177.584 -0.055 0.000 1.076 59 A CA -0.256 51.775 52.037 -0.010 0.000 0.773 59 A CB -0.070 18.936 19.000 0.010 0.000 1.010 59 A HN 0.447 nan 8.150 nan 0.000 0.493 60 L N 2.656 123.821 121.223 -0.097 0.000 2.262 60 L HA 0.632 4.973 4.340 0.002 0.000 0.288 60 L C 0.210 177.068 176.870 -0.020 0.000 1.035 60 L CA -0.007 54.830 54.840 -0.005 0.000 0.820 60 L CB 0.759 42.889 42.059 0.119 0.000 1.204 60 L HN 0.719 nan 8.230 nan 0.000 0.424 61 A N 6.130 128.993 122.820 0.071 0.000 2.293 61 A HA 0.694 5.016 4.320 0.002 0.000 0.312 61 A C -0.008 177.652 177.584 0.126 0.000 1.309 61 A CA -0.614 51.531 52.037 0.180 0.000 0.839 61 A CB 0.232 19.355 19.000 0.206 0.000 1.155 61 A HN 0.754 nan 8.150 nan 0.000 0.501 62 R N 3.411 123.995 120.500 0.139 0.000 2.835 62 R HA 0.285 4.626 4.340 0.002 0.000 0.290 62 R C -0.075 176.295 176.300 0.115 0.000 1.410 62 R CA -0.162 56.003 56.100 0.110 0.000 1.590 62 R CB 0.349 30.715 30.300 0.109 0.000 1.288 62 R HN 0.745 nan 8.270 nan 0.000 0.637 63 L N -0.382 120.908 121.223 0.110 0.000 2.249 63 L HA 0.103 4.445 4.340 0.002 0.000 0.207 63 L C 1.935 178.851 176.870 0.077 0.000 1.090 63 L CA 0.903 55.809 54.840 0.110 0.000 0.802 63 L CB -0.423 41.681 42.059 0.075 0.000 0.947 63 L HN 0.690 nan 8.230 nan 0.000 0.453 64 G N 1.203 110.037 108.800 0.058 0.000 2.987 64 G HA2 -0.521 3.441 3.960 0.002 0.000 0.363 64 G HA3 -0.521 3.441 3.960 0.002 0.000 0.363 64 G C 1.372 176.296 174.900 0.040 0.000 1.224 64 G CA 1.767 46.894 45.100 0.045 0.000 1.042 64 G HN 0.463 nan 8.290 nan 0.000 0.644 65 A N 0.129 122.975 122.820 0.044 0.000 1.869 65 A HA 0.007 4.328 4.320 0.002 0.000 0.218 65 A C 2.473 180.079 177.584 0.037 0.000 1.203 65 A CA 3.905 55.965 52.037 0.038 0.000 0.638 65 A CB -0.621 18.403 19.000 0.040 0.000 0.831 65 A HN 1.595 nan 8.150 nan 0.000 0.450 66 I N -2.146 118.453 120.570 0.048 0.000 3.428 66 I HA 0.314 4.486 4.170 0.002 0.000 0.286 66 I C 2.087 178.220 176.117 0.027 0.000 1.287 66 I CA 0.442 61.768 61.300 0.044 0.000 1.396 66 I CB -1.049 36.991 38.000 0.067 0.000 1.062 66 I HN 0.156 nan 8.210 nan 0.000 0.471 67 A N 1.445 124.280 122.820 0.025 0.000 1.972 67 A HA 0.065 4.387 4.320 0.002 0.000 0.219 67 A C 2.549 180.133 177.584 0.000 0.000 1.169 67 A CA 1.671 53.712 52.037 0.006 0.000 0.635 67 A CB -0.982 18.025 19.000 0.011 0.000 0.810 67 A HN 0.545 nan 8.150 nan 0.000 0.446 68 A N -0.680 122.145 122.820 0.007 0.000 1.902 68 A HA -0.178 4.144 4.320 0.002 0.000 0.217 68 A C 2.072 179.656 177.584 0.001 0.000 1.181 68 A CA 1.849 53.888 52.037 0.004 0.000 0.623 68 A CB -0.431 18.574 19.000 0.009 0.000 0.818 68 A HN 0.550 nan 8.150 nan 0.000 0.443 69 Q N -0.825 118.978 119.800 0.004 0.000 2.269 69 Q HA 0.257 4.598 4.340 0.002 0.000 0.201 69 Q C -0.035 175.961 176.000 -0.008 0.000 0.946 69 Q CA 0.643 56.447 55.803 0.002 0.000 0.877 69 Q CB 0.067 28.811 28.738 0.010 0.000 0.963 69 Q HN 0.581 nan 8.270 nan 0.000 0.472 70 L N 0.882 122.096 121.223 -0.015 0.000 2.457 70 L HA 0.320 4.662 4.340 0.002 0.000 0.252 70 L C -2.060 174.785 176.870 -0.042 0.000 1.132 70 L CA -1.586 53.234 54.840 -0.034 0.000 0.938 70 L CB 1.357 43.389 42.059 -0.045 0.000 1.246 70 L HN -0.067 nan 8.230 nan 0.000 0.476 71 P HA -0.210 nan 4.420 nan 0.000 0.216 71 P C 0.612 177.881 177.300 -0.052 0.000 1.157 71 P CA 1.429 64.507 63.100 -0.036 0.000 0.880 71 P CB 0.111 31.793 31.700 -0.030 0.000 0.791 72 D N -1.350 119.011 120.400 -0.065 0.000 2.491 72 D HA 0.013 4.654 4.640 0.002 0.000 0.228 72 D C 1.459 177.685 176.300 -0.123 0.000 1.183 72 D CA -0.349 53.602 54.000 -0.082 0.000 0.827 72 D CB -0.725 40.033 40.800 -0.071 0.000 0.989 72 D HN 0.012 nan 8.370 nan 0.000 0.494 73 L N 1.052 122.192 121.223 -0.139 0.000 2.042 73 L HA -0.149 4.193 4.340 0.002 0.000 0.210 73 L C 2.165 178.851 176.870 -0.307 0.000 1.076 73 L CA 1.934 56.645 54.840 -0.214 0.000 0.749 73 L CB -0.595 41.345 42.059 -0.199 0.000 0.893 73 L HN 0.143 nan 8.230 nan 0.000 0.432 74 E N -1.083 118.957 120.200 -0.267 0.000 2.077 74 E HA -0.321 4.031 4.350 0.002 0.000 0.193 74 E C 2.218 178.622 176.600 -0.326 0.000 0.989 74 E CA 1.470 57.654 56.400 -0.360 0.000 0.800 74 E CB -0.239 29.350 29.700 -0.185 0.000 0.746 74 E HN 0.717 nan 8.360 nan 0.000 0.452 75 Q N 0.217 119.897 119.800 -0.201 0.000 2.124 75 Q HA -0.187 4.155 4.340 0.002 0.000 0.202 75 Q C 2.163 178.058 176.000 -0.175 0.000 0.977 75 Q CA 1.371 57.081 55.803 -0.155 0.000 0.850 75 Q CB 0.065 28.743 28.738 -0.101 0.000 0.901 75 Q HN 0.209 nan 8.270 nan 0.000 0.429 76 R N -0.152 120.229 120.500 -0.199 0.000 2.092 76 R HA -0.067 4.275 4.340 0.002 0.000 0.231 76 R C 2.390 178.552 176.300 -0.230 0.000 1.119 76 R CA 1.191 57.180 56.100 -0.184 0.000 0.970 76 R CB -0.199 29.989 30.300 -0.187 0.000 0.864 76 R HN 0.311 nan 8.270 nan 0.000 0.440 77 L N 0.648 121.648 121.223 -0.373 0.000 2.056 77 L HA -0.165 4.176 4.340 0.002 0.000 0.207 77 L C 2.176 178.863 176.870 -0.305 0.000 1.078 77 L CA 1.431 56.003 54.840 -0.446 0.000 0.749 77 L CB -0.429 41.127 42.059 -0.837 0.000 0.901 77 L HN 0.241 nan 8.230 nan 0.000 0.433 78 E N -0.047 119.974 120.200 -0.298 0.000 2.077 78 E HA -0.270 4.081 4.350 0.002 0.000 0.193 78 E C 2.203 178.677 176.600 -0.209 0.000 0.989 78 E CA 1.161 57.441 56.400 -0.200 0.000 0.800 78 E CB -0.128 29.482 29.700 -0.150 0.000 0.746 78 E HN 0.555 nan 8.360 nan 0.000 0.452 79 Q N -0.086 119.636 119.800 -0.131 0.000 2.226 79 Q HA -0.100 4.242 4.340 0.002 0.000 0.204 79 Q C 1.522 177.595 176.000 0.122 0.000 0.975 79 Q CA 1.590 57.380 55.803 -0.021 0.000 0.866 79 Q CB -0.004 28.745 28.738 0.018 0.000 0.915 79 Q HN 0.293 nan 8.270 nan 0.000 0.440 80 T N -4.015 110.580 114.554 0.068 0.000 3.251 80 T HA 0.145 4.496 4.350 0.002 0.000 0.259 80 T C -0.395 174.468 174.700 0.272 0.000 0.998 80 T CA -0.572 61.628 62.100 0.167 0.000 0.905 80 T CB -0.397 68.565 68.868 0.157 0.000 1.067 80 T HN 0.242 nan 8.240 nan 0.000 0.569 81 Y N 0.701 120.991 120.300 -0.016 0.000 3.108 81 Y HA -0.238 4.313 4.550 0.003 0.000 0.208 81 Y C 0.569 176.482 175.900 0.022 0.000 1.245 81 Y CA 0.313 58.416 58.100 0.005 0.000 1.171 81 Y CB -2.651 35.790 38.460 -0.031 0.000 1.331 81 Y HN 0.333 nan 8.280 nan 0.000 0.534 82 T N 0.531 115.138 114.554 0.087 0.000 2.851 82 T HA 0.065 4.416 4.350 0.002 0.000 0.298 82 T C 0.927 175.692 174.700 0.110 0.000 0.977 82 T CA -0.183 61.958 62.100 0.068 0.000 1.126 82 T CB 0.920 69.784 68.868 -0.005 0.000 0.916 82 T HN 0.277 nan 8.240 nan 0.000 0.529 83 D N 1.414 121.794 120.400 -0.034 0.000 2.431 83 D HA 0.283 4.925 4.640 0.002 0.000 0.235 83 D C 0.621 176.732 176.300 -0.315 0.000 0.980 83 D CA 0.315 54.196 54.000 -0.200 0.000 0.912 83 D CB 0.436 41.042 40.800 -0.322 0.000 1.056 83 D HN 0.610 nan 8.370 nan 0.000 0.494 84 A N 0.238 122.892 122.820 -0.276 0.000 2.455 84 A HA 0.575 4.896 4.320 0.002 0.000 0.300 84 A C -1.839 175.737 177.584 -0.012 0.000 1.040 84 A CA -0.552 51.411 52.037 -0.123 0.000 0.697 84 A CB 1.519 20.518 19.000 -0.000 0.000 1.265 84 A HN 0.045 nan 8.150 nan 0.000 0.407 85 F N 2.222 122.021 119.950 -0.251 0.000 2.561 85 F HA 0.768 5.297 4.527 0.002 0.000 0.313 85 F C -1.513 174.185 175.800 -0.170 0.000 1.126 85 F CA -0.851 57.063 58.000 -0.142 0.000 0.918 85 F CB 1.664 40.623 39.000 -0.068 0.000 1.199 85 F HN 0.655 nan 8.300 nan 0.000 0.444 86 L N 6.797 127.612 121.223 -0.681 0.000 2.493 86 L HA 0.741 5.083 4.340 0.002 0.000 0.265 86 L C -1.875 174.676 176.870 -0.532 0.000 0.954 86 L CA -0.658 53.907 54.840 -0.458 0.000 0.844 86 L CB 2.101 44.082 42.059 -0.130 0.000 1.302 86 L HN 0.457 nan 8.230 nan 0.000 0.405 87 V N 5.324 125.013 119.914 -0.374 0.000 2.357 87 V HA 0.415 4.536 4.120 0.002 0.000 0.284 87 V C -0.469 175.577 176.094 -0.081 0.000 1.018 87 V CA -0.466 61.699 62.300 -0.224 0.000 0.841 87 V CB 1.595 33.325 31.823 -0.154 0.000 0.991 87 V HN 0.544 nan 8.190 nan 0.000 0.437 88 L N 6.191 127.390 121.223 -0.040 0.000 2.276 88 L HA 0.568 4.910 4.340 0.002 0.000 0.286 88 L C 0.051 176.928 176.870 0.012 0.000 1.024 88 L CA -0.039 54.798 54.840 -0.004 0.000 0.826 88 L CB 0.949 43.013 42.059 0.007 0.000 1.211 88 L HN 0.649 nan 8.230 nan 0.000 0.422 89 R N 4.524 125.032 120.500 0.014 0.000 2.246 89 R HA 0.593 4.935 4.340 0.002 0.000 0.332 89 R C 0.724 177.034 176.300 0.017 0.000 0.974 89 R CA 0.502 56.615 56.100 0.021 0.000 0.837 89 R CB 0.623 30.938 30.300 0.024 0.000 1.145 89 R HN 0.935 nan 8.270 nan 0.000 0.467 90 G N 2.408 111.217 108.800 0.015 0.000 2.596 90 G HA2 -0.445 3.516 3.960 0.002 0.000 0.304 90 G HA3 -0.445 3.516 3.960 0.002 0.000 0.304 90 G C 0.601 175.506 174.900 0.008 0.000 1.189 90 G CA 0.706 45.812 45.100 0.010 0.000 0.986 90 G HN 0.680 nan 8.290 nan 0.000 0.548 91 T N -1.076 113.482 114.554 0.007 0.000 3.105 91 T HA 0.489 4.841 4.350 0.002 0.000 0.253 91 T C 0.558 175.263 174.700 0.008 0.000 1.047 91 T CA 1.243 63.346 62.100 0.005 0.000 0.944 91 T CB 0.563 69.432 68.868 0.002 0.000 1.016 91 T HN 0.753 nan 8.240 nan 0.000 0.544 92 E N 1.408 121.615 120.200 0.011 0.000 2.166 92 E HA 0.444 4.795 4.350 0.002 0.000 0.275 92 E C -1.046 175.564 176.600 0.017 0.000 0.941 92 E CA -0.799 55.610 56.400 0.015 0.000 0.784 92 E CB 1.811 31.520 29.700 0.016 0.000 1.115 92 E HN 0.053 nan 8.360 nan 0.000 0.399 93 V N 6.035 125.962 119.914 0.021 0.000 2.415 93 V HA -0.000 4.121 4.120 0.002 0.000 0.267 93 V C 1.140 177.251 176.094 0.027 0.000 1.042 93 V CA 0.094 62.408 62.300 0.023 0.000 1.000 93 V CB 0.626 32.473 31.823 0.040 0.000 1.015 93 V HN 0.690 nan 8.190 nan 0.000 0.478 94 V N 2.002 121.929 119.914 0.021 0.000 3.661 94 V HA 0.751 4.872 4.120 0.002 0.000 0.271 94 V C 0.621 176.741 176.094 0.043 0.000 1.315 94 V CA 0.617 62.936 62.300 0.031 0.000 1.072 94 V CB 0.111 31.951 31.823 0.029 0.000 0.830 94 V HN 0.856 nan 8.190 nan 0.000 0.443 95 A N -0.204 122.637 122.820 0.036 0.000 2.566 95 A HA 0.811 5.132 4.320 0.002 0.000 0.297 95 A C -0.977 176.637 177.584 0.050 0.000 1.059 95 A CA -0.494 51.588 52.037 0.075 0.000 0.691 95 A CB 1.634 20.713 19.000 0.131 0.000 1.282 95 A HN 0.378 nan 8.150 nan 0.000 0.401 96 E N -0.052 120.213 120.200 0.109 0.000 2.366 96 E HA 0.530 4.881 4.350 0.002 0.000 0.278 96 E C -2.142 174.513 176.600 0.093 0.000 0.923 96 E CA -0.530 55.896 56.400 0.043 0.000 0.761 96 E CB 2.758 32.522 29.700 0.107 0.000 1.231 96 E HN 0.661 nan 8.360 nan 0.000 0.443 97 Y N 1.823 121.956 120.300 -0.278 0.000 2.479 97 Y HA 0.465 5.016 4.550 0.002 0.000 0.338 97 Y C -2.165 173.371 175.900 -0.607 0.000 1.055 97 Y CA -0.596 57.357 58.100 -0.244 0.000 1.023 97 Y CB 1.275 39.694 38.460 -0.069 0.000 1.287 97 Y HN 0.503 nan 8.280 nan 0.000 0.447 98 Y N 4.604 124.518 120.300 -0.643 0.000 2.421 98 Y HA 0.504 5.056 4.550 0.002 0.000 0.339 98 Y C -0.255 175.244 175.900 -0.668 0.000 0.996 98 Y CA -1.342 56.511 58.100 -0.412 0.000 1.046 98 Y CB 1.572 40.038 38.460 0.011 0.000 1.226 98 Y HN 0.693 nan 8.280 nan 0.000 0.445 99 R N 1.479 121.846 120.500 -0.221 0.000 2.801 99 R HA 0.672 5.014 4.340 0.002 0.000 0.273 99 R C -0.100 176.235 176.300 0.059 0.000 1.080 99 R CA -0.406 55.658 56.100 -0.061 0.000 1.197 99 R CB 0.370 30.739 30.300 0.116 0.000 1.109 99 R HN 0.711 nan 8.270 nan 0.000 0.535 100 A N 0.707 123.580 122.820 0.088 0.000 2.548 100 A HA 0.383 4.705 4.320 0.002 0.000 0.247 100 A C 1.391 179.045 177.584 0.117 0.000 1.067 100 A CA 0.485 52.587 52.037 0.110 0.000 0.757 100 A CB -0.731 18.342 19.000 0.121 0.000 0.996 100 A HN 1.253 nan 8.150 nan 0.000 0.504 101 G N 0.906 109.766 108.800 0.101 0.000 2.195 101 G HA2 -0.225 3.737 3.960 0.002 0.000 0.246 101 G HA3 -0.225 3.737 3.960 0.002 0.000 0.246 101 G C 0.012 174.989 174.900 0.128 0.000 0.984 101 G CA 0.387 45.540 45.100 0.088 0.000 0.633 101 G HN 1.383 nan 8.290 nan 0.000 0.525 102 F N 2.372 122.337 119.950 0.025 0.000 2.427 102 F HA 0.742 5.270 4.527 0.002 0.000 0.348 102 F C 0.413 176.202 175.800 -0.019 0.000 1.125 102 F CA -0.266 57.755 58.000 0.035 0.000 0.989 102 F CB 1.178 40.243 39.000 0.109 0.000 1.165 102 F HN 0.398 nan 8.300 nan 0.000 0.442 103 A N 7.269 129.846 122.820 -0.405 0.000 2.322 103 A HA 0.475 4.797 4.320 0.002 0.000 0.269 103 A C -1.918 175.340 177.584 -0.543 0.000 1.094 103 A CA -1.443 50.377 52.037 -0.362 0.000 0.807 103 A CB 0.267 19.077 19.000 -0.315 0.000 1.047 103 A HN 0.652 nan 8.150 nan 0.000 0.487 104 P HA -0.164 nan 4.420 nan 0.000 0.217 104 P C 0.430 177.478 177.300 -0.420 0.000 1.148 104 P CA 1.771 64.262 63.100 -1.014 0.000 0.828 104 P CB 0.087 31.377 31.700 -0.683 0.000 0.783 105 D N -2.734 117.486 120.400 -0.300 0.000 2.363 105 D HA 0.024 4.665 4.640 0.002 0.000 0.214 105 D C -0.070 176.116 176.300 -0.191 0.000 1.093 105 D CA -0.038 53.863 54.000 -0.164 0.000 0.837 105 D CB -0.590 40.137 40.800 -0.122 0.000 0.948 105 D HN 0.039 nan 8.370 nan 0.000 0.507 106 D N 1.252 121.419 120.400 -0.389 0.000 2.362 106 D HA 0.201 4.843 4.640 0.002 0.000 0.242 106 D C 0.525 176.715 176.300 -0.184 0.000 1.132 106 D CA 0.011 53.706 54.000 -0.508 0.000 0.907 106 D CB 1.210 41.272 40.800 -1.230 0.000 1.195 106 D HN 0.036 nan 8.370 nan 0.000 0.429 107 R N 0.843 121.319 120.500 -0.040 0.000 2.536 107 R HA 0.396 4.738 4.340 0.002 0.000 0.279 107 R C 0.008 176.512 176.300 0.339 0.000 1.001 107 R CA -0.648 55.550 56.100 0.164 0.000 1.027 107 R CB 1.388 31.728 30.300 0.067 0.000 1.096 107 R HN 0.474 nan 8.270 nan 0.000 0.502 108 H N 1.850 121.076 119.070 0.259 0.000 2.771 108 H HA 0.181 4.738 4.556 0.003 0.000 0.361 108 H C -1.179 174.208 175.328 0.099 0.000 1.108 108 H CA -0.941 55.240 56.048 0.221 0.000 1.201 108 H CB 1.621 31.500 29.762 0.194 0.000 1.681 108 H HN 0.314 nan 8.280 nan 0.000 0.534 109 L N 4.800 126.042 121.223 0.032 0.000 2.525 109 L HA -0.009 4.332 4.340 0.002 0.000 0.278 109 L C 0.291 177.321 176.870 0.266 0.000 1.218 109 L CA 0.561 55.457 54.840 0.093 0.000 0.878 109 L CB 0.115 42.142 42.059 -0.055 0.000 1.127 109 L HN 0.727 nan 8.230 nan 0.000 0.492 110 L N 4.779 126.117 121.223 0.192 0.000 2.554 110 L HA 0.044 4.386 4.340 0.002 0.000 0.225 110 L C 1.243 178.210 176.870 0.161 0.000 1.104 110 L CA -0.282 54.657 54.840 0.166 0.000 0.866 110 L CB -0.165 41.968 42.059 0.123 0.000 1.047 110 L HN 0.745 nan 8.230 nan 0.000 0.468 111 M N -0.667 119.059 119.600 0.210 0.000 7.319 111 M HA -0.378 4.103 4.480 0.002 0.000 0.191 111 M C 1.513 177.918 176.300 0.176 0.000 0.480 111 M CA 1.703 57.151 55.300 0.246 0.000 1.311 111 M CB -1.685 31.058 32.600 0.238 0.000 0.421 111 M HN 0.059 nan 8.290 nan 0.000 0.563 112 S N 0.296 116.116 115.700 0.200 0.000 2.603 112 S HA 0.094 4.566 4.470 0.002 0.000 0.229 112 S C 1.652 176.349 174.600 0.162 0.000 0.972 112 S CA 0.735 59.061 58.200 0.210 0.000 0.935 112 S CB -0.290 63.127 63.200 0.363 0.000 0.769 112 S HN 0.416 nan 8.310 nan 0.000 0.536 113 V N 1.586 121.572 119.914 0.120 0.000 2.568 113 V HA -0.176 3.946 4.120 0.002 0.000 0.253 113 V C 2.212 178.311 176.094 0.008 0.000 1.072 113 V CA 1.618 63.950 62.300 0.053 0.000 1.084 113 V CB -0.856 31.008 31.823 0.068 0.000 0.676 113 V HN 0.466 nan 8.190 nan 0.000 0.469 114 S N -0.375 115.350 115.700 0.042 0.000 2.402 114 S HA -0.260 4.211 4.470 0.002 0.000 0.233 114 S C 1.952 176.549 174.600 -0.006 0.000 1.030 114 S CA 1.526 59.739 58.200 0.021 0.000 1.003 114 S CB -0.278 62.924 63.200 0.003 0.000 0.813 114 S HN 0.649 nan 8.310 nan 0.000 0.477 115 K N 1.110 121.504 120.400 -0.010 0.000 2.097 115 K HA -0.009 4.313 4.320 0.002 0.000 0.206 115 K C 2.347 178.884 176.600 -0.106 0.000 1.049 115 K CA 1.466 57.738 56.287 -0.025 0.000 0.933 115 K CB -0.245 32.283 32.500 0.048 0.000 0.717 115 K HN 0.213 nan 8.250 nan 0.000 0.442 116 S N 1.146 116.683 115.700 -0.271 0.000 2.402 116 S HA -0.071 4.401 4.470 0.002 0.000 0.229 116 S C 1.767 176.224 174.600 -0.239 0.000 1.021 116 S CA 0.821 58.649 58.200 -0.621 0.000 0.974 116 S CB -0.097 62.299 63.200 -1.340 0.000 0.800 116 S HN 0.074 nan 8.310 nan 0.000 0.484 117 L N 0.945 122.127 121.223 -0.070 0.000 2.056 117 L HA -0.026 4.316 4.340 0.002 0.000 0.207 117 L C 2.610 179.564 176.870 0.140 0.000 1.078 117 L CA 1.084 55.979 54.840 0.092 0.000 0.749 117 L CB -1.264 40.871 42.059 0.127 0.000 0.901 117 L HN 0.451 nan 8.230 nan 0.000 0.433 118 C N -0.253 119.126 119.300 0.132 0.000 2.432 118 C HA -0.081 4.380 4.460 0.002 0.000 0.277 118 C C 2.939 178.012 174.990 0.138 0.000 1.249 118 C CA 0.875 60.004 59.018 0.185 0.000 1.725 118 C CB -1.343 26.434 27.740 0.062 0.000 2.028 118 C HN 0.638 nan 8.230 nan 0.000 0.477 119 G N -0.423 108.449 108.800 0.121 0.000 2.450 119 G HA2 -0.189 3.773 3.960 0.002 0.000 0.220 119 G HA3 -0.189 3.773 3.960 0.002 0.000 0.220 119 G C 1.744 176.799 174.900 0.258 0.000 1.130 119 G CA 1.664 46.902 45.100 0.230 0.000 0.760 119 G HN 0.570 nan 8.290 nan 0.000 0.557 120 T N 0.702 115.390 114.554 0.223 0.000 2.777 120 T HA -0.088 4.264 4.350 0.002 0.000 0.266 120 T C 2.561 177.224 174.700 -0.062 0.000 1.040 120 T CA 1.136 63.318 62.100 0.136 0.000 1.141 120 T CB -0.197 68.804 68.868 0.222 0.000 0.868 120 T HN 0.085 nan 8.240 nan 0.000 0.444 121 V N 1.334 121.257 119.914 0.016 0.000 2.343 121 V HA -0.146 3.975 4.120 0.002 0.000 0.247 121 V C 2.671 178.644 176.094 -0.201 0.000 1.051 121 V CA 1.261 63.537 62.300 -0.041 0.000 1.036 121 V CB -0.740 31.130 31.823 0.077 0.000 0.654 121 V HN 0.311 nan 8.190 nan 0.000 0.451 122 V N 1.053 120.878 119.914 -0.148 0.000 2.332 122 V HA -0.216 3.905 4.120 0.002 0.000 0.248 122 V C 2.656 178.460 176.094 -0.484 0.000 1.055 122 V CA 2.265 64.434 62.300 -0.217 0.000 1.038 122 V CB -1.464 30.333 31.823 -0.043 0.000 0.651 122 V HN 0.618 nan 8.190 nan 0.000 0.450 123 G N -0.551 107.709 108.800 -0.901 0.000 2.432 123 G HA2 -0.197 3.765 3.960 0.002 0.000 0.219 123 G HA3 -0.197 3.765 3.960 0.002 0.000 0.219 123 G C 1.745 176.105 174.900 -0.900 0.000 1.135 123 G CA 1.027 45.004 45.100 -1.872 0.000 0.767 123 G HN 0.619 nan 8.290 nan 0.000 0.550 124 A N 0.532 123.027 122.820 -0.542 0.000 1.902 124 A HA 0.126 4.447 4.320 0.002 0.000 0.217 124 A C 2.390 179.826 177.584 -0.247 0.000 1.181 124 A CA 1.166 53.038 52.037 -0.276 0.000 0.623 124 A CB -0.333 18.614 19.000 -0.088 0.000 0.818 124 A HN 0.359 nan 8.150 nan 0.000 0.443 125 L N -0.654 120.358 121.223 -0.352 0.000 2.217 125 L HA -0.093 4.249 4.340 0.002 0.000 0.211 125 L C 2.401 179.156 176.870 -0.191 0.000 1.107 125 L CA 0.484 55.148 54.840 -0.293 0.000 0.783 125 L CB -0.387 41.452 42.059 -0.367 0.000 0.919 125 L HN 0.222 nan 8.230 nan 0.000 0.442 126 V N -0.029 119.754 119.914 -0.218 0.000 2.358 126 V HA -0.300 3.821 4.120 0.002 0.000 0.246 126 V C 2.221 178.283 176.094 -0.054 0.000 1.047 126 V CA 2.093 64.332 62.300 -0.101 0.000 1.035 126 V CB -0.439 31.357 31.823 -0.044 0.000 0.658 126 V HN 0.461 nan 8.190 nan 0.000 0.452 127 D N 0.211 120.552 120.400 -0.097 0.000 2.182 127 D HA -0.199 4.442 4.640 0.002 0.000 0.201 127 D C 2.081 178.374 176.300 -0.012 0.000 0.986 127 D CA 1.375 55.354 54.000 -0.036 0.000 0.847 127 D CB -0.058 40.707 40.800 -0.059 0.000 0.942 127 D HN 0.561 nan 8.370 nan 0.000 0.467 128 E N -1.284 118.902 120.200 -0.024 0.000 2.442 128 E HA 0.165 4.517 4.350 0.002 0.000 0.195 128 E C 1.263 177.869 176.600 0.011 0.000 1.030 128 E CA 0.462 56.866 56.400 0.007 0.000 0.869 128 E CB 0.239 29.953 29.700 0.023 0.000 0.857 128 E HN 0.376 nan 8.360 nan 0.000 0.505 129 G N 1.904 110.706 108.800 0.004 0.000 2.136 129 G HA2 -0.323 3.639 3.960 0.002 0.000 0.242 129 G HA3 -0.323 3.639 3.960 0.002 0.000 0.242 129 G C 0.819 175.735 174.900 0.028 0.000 0.989 129 G CA 0.379 45.492 45.100 0.022 0.000 0.682 129 G HN 0.233 nan 8.290 nan 0.000 0.522 130 R N -0.829 119.671 120.500 -0.001 0.000 2.265 130 R HA 0.399 4.741 4.340 0.002 0.000 0.194 130 R C 0.865 177.153 176.300 -0.019 0.000 0.931 130 R CA 0.525 56.628 56.100 0.005 0.000 1.032 130 R CB 0.615 30.900 30.300 -0.026 0.000 0.980 130 R HN 0.476 nan 8.270 nan 0.000 0.497 131 I N 1.102 121.627 120.570 -0.076 0.000 2.498 131 I HA 0.151 4.322 4.170 0.002 0.000 0.290 131 I C -1.074 175.060 176.117 0.029 0.000 1.032 131 I CA -0.971 60.241 61.300 -0.146 0.000 1.073 131 I CB 2.278 40.096 38.000 -0.303 0.000 1.251 131 I HN -0.179 nan 8.210 nan 0.000 0.426 132 D N 8.369 128.872 120.400 0.172 0.000 2.427 132 D HA 0.326 4.967 4.640 0.002 0.000 0.226 132 D C -1.931 174.470 176.300 0.169 0.000 1.076 132 D CA -2.321 51.776 54.000 0.161 0.000 0.849 132 D CB 2.078 42.976 40.800 0.164 0.000 1.052 132 D HN 0.118 nan 8.370 nan 0.000 0.515 133 P HA -0.082 nan 4.420 nan 0.000 0.221 133 P C 0.824 178.192 177.300 0.113 0.000 1.145 133 P CA 0.886 64.064 63.100 0.130 0.000 0.795 133 P CB 0.298 32.084 31.700 0.142 0.000 0.775 134 A N -1.627 121.253 122.820 0.100 0.000 2.067 134 A HA -0.060 4.261 4.320 0.002 0.000 0.217 134 A C 1.350 178.975 177.584 0.069 0.000 1.156 134 A CA 0.678 52.758 52.037 0.072 0.000 0.683 134 A CB -0.597 18.436 19.000 0.054 0.000 0.808 134 A HN 0.107 nan 8.150 nan 0.000 0.455 135 Q N 0.606 120.467 119.800 0.102 0.000 2.373 135 Q HA 0.235 4.576 4.340 0.002 0.000 0.255 135 Q C -2.417 173.627 176.000 0.075 0.000 0.980 135 Q CA -1.980 53.864 55.803 0.068 0.000 0.882 135 Q CB 0.349 29.129 28.738 0.070 0.000 1.249 135 Q HN 0.288 nan 8.270 nan 0.000 0.438 136 P HA 0.009 nan 4.420 nan 0.000 0.272 136 P C 0.761 178.083 177.300 0.037 0.000 1.223 136 P CA -0.088 63.020 63.100 0.014 0.000 0.784 136 P CB 0.758 32.442 31.700 -0.027 0.000 0.923 137 V N 2.108 122.059 119.914 0.062 0.000 2.317 137 V HA -0.270 3.851 4.120 0.002 0.000 0.251 137 V C 2.543 178.628 176.094 -0.015 0.000 1.065 137 V CA 3.068 65.406 62.300 0.063 0.000 1.049 137 V CB -2.063 29.778 31.823 0.030 0.000 0.651 137 V HN 0.737 nan 8.190 nan 0.000 0.450 138 T N -1.657 112.858 114.554 -0.065 0.000 3.051 138 T HA -0.169 4.182 4.350 0.002 0.000 0.269 138 T C 1.598 176.197 174.700 -0.169 0.000 1.127 138 T CA 1.292 63.320 62.100 -0.119 0.000 1.107 138 T CB -0.268 68.544 68.868 -0.094 0.000 0.898 138 T HN 0.521 nan 8.240 nan 0.000 0.517 139 E N 0.787 120.846 120.200 -0.236 0.000 2.204 139 E HA -0.115 4.236 4.350 0.002 0.000 0.195 139 E C 1.068 177.342 176.600 -0.544 0.000 0.990 139 E CA 1.300 57.439 56.400 -0.435 0.000 0.821 139 E CB -0.389 28.929 29.700 -0.637 0.000 0.750 139 E HN 0.782 nan 8.360 nan 0.000 0.477 140 Y N -1.546 118.686 120.300 -0.114 0.000 2.558 140 Y HA 0.317 4.868 4.550 0.002 0.000 0.273 140 Y C 0.421 176.197 175.900 -0.208 0.000 1.100 140 Y CA -0.022 58.001 58.100 -0.127 0.000 1.276 140 Y CB 1.057 39.452 38.460 -0.108 0.000 1.196 140 Y HN -0.186 nan 8.280 nan 0.000 0.527 141 V N 2.413 122.227 119.914 -0.166 0.000 2.313 141 V HA 0.220 4.341 4.120 0.002 0.000 0.262 141 V C -2.060 173.841 176.094 -0.322 0.000 1.011 141 V CA -1.387 60.667 62.300 -0.409 0.000 0.858 141 V CB 1.062 32.359 31.823 -0.876 0.000 1.104 141 V HN 0.000 nan 8.190 nan 0.000 0.456 142 P HA -0.140 nan 4.420 nan 0.000 0.217 142 P C 1.240 178.457 177.300 -0.138 0.000 1.148 142 P CA 1.102 64.112 63.100 -0.150 0.000 0.828 142 P CB 0.423 32.055 31.700 -0.114 0.000 0.783 143 E N -1.091 119.014 120.200 -0.157 0.000 2.472 143 E HA -0.039 4.313 4.350 0.002 0.000 0.200 143 E C 1.474 178.026 176.600 -0.081 0.000 1.046 143 E CA 0.470 56.824 56.400 -0.077 0.000 0.871 143 E CB -0.815 28.900 29.700 0.025 0.000 0.806 143 E HN 0.277 nan 8.360 nan 0.000 0.533 144 L N 0.183 121.293 121.223 -0.189 0.000 2.591 144 L HA 0.205 4.547 4.340 0.002 0.000 0.228 144 L C 0.708 177.554 176.870 -0.040 0.000 1.133 144 L CA -0.550 54.222 54.840 -0.113 0.000 0.880 144 L CB -0.170 41.767 42.059 -0.203 0.000 1.033 144 L HN 0.024 nan 8.230 nan 0.000 0.450 145 A N -0.100 122.687 122.820 -0.055 0.000 2.561 145 A HA 0.345 4.666 4.320 0.002 0.000 0.234 145 A C 1.488 179.060 177.584 -0.020 0.000 1.055 145 A CA 0.775 52.790 52.037 -0.037 0.000 0.756 145 A CB -0.186 18.788 19.000 -0.044 0.000 0.986 145 A HN 0.579 nan 8.150 nan 0.000 0.505 146 G N 0.771 109.559 108.800 -0.021 0.000 2.199 146 G HA2 -0.172 3.789 3.960 0.002 0.000 0.254 146 G HA3 -0.172 3.789 3.960 0.002 0.000 0.254 146 G C 0.601 175.489 174.900 -0.019 0.000 0.982 146 G CA 1.154 46.242 45.100 -0.019 0.000 0.632 146 G HN 2.225 nan 8.290 nan 0.000 0.529 147 S N -1.542 114.153 115.700 -0.009 0.000 2.767 147 S HA 0.678 5.150 4.470 0.002 0.000 0.300 147 S C 1.250 175.812 174.600 -0.062 0.000 1.123 147 S CA 0.307 58.500 58.200 -0.013 0.000 0.992 147 S CB 1.860 65.095 63.200 0.058 0.000 1.138 147 S HN 1.217 nan 8.310 nan 0.000 0.550 148 V N 0.453 120.277 119.914 -0.150 0.000 2.867 148 V HA -0.064 4.058 4.120 0.002 0.000 0.260 148 V C 0.719 176.584 176.094 -0.382 0.000 1.099 148 V CA 1.458 63.582 62.300 -0.292 0.000 1.122 148 V CB -1.212 30.359 31.823 -0.419 0.000 0.708 148 V HN 0.823 nan 8.190 nan 0.000 0.490 149 Y N -0.540 119.721 120.300 -0.064 0.000 2.461 149 Y HA 0.311 4.862 4.550 0.002 0.000 0.277 149 Y C 0.817 176.675 175.900 -0.070 0.000 1.182 149 Y CA -0.423 57.637 58.100 -0.067 0.000 1.276 149 Y CB 0.060 38.475 38.460 -0.075 0.000 1.087 149 Y HN 0.246 nan 8.280 nan 0.000 0.519 150 D N 0.053 120.464 120.400 0.019 0.000 2.380 150 D HA 0.405 5.047 4.640 0.002 0.000 0.230 150 D C 0.968 177.254 176.300 -0.023 0.000 1.154 150 D CA 0.943 54.939 54.000 -0.008 0.000 0.859 150 D CB 0.544 41.330 40.800 -0.023 0.000 1.045 150 D HN 0.455 nan 8.370 nan 0.000 0.495 151 G N 4.733 113.525 108.800 -0.014 0.000 3.151 151 G HA2 -0.183 3.778 3.960 0.002 0.000 0.197 151 G HA3 -0.183 3.778 3.960 0.002 0.000 0.197 151 G C -1.951 172.946 174.900 -0.005 0.000 1.682 151 G CA -0.484 44.605 45.100 -0.019 0.000 1.205 151 G HN 0.547 nan 8.290 nan 0.000 0.510 152 P HA 0.411 nan 4.420 nan 0.000 0.268 152 P C 0.421 177.749 177.300 0.047 0.000 1.208 152 P CA 0.750 63.862 63.100 0.019 0.000 0.777 152 P CB 0.983 32.694 31.700 0.019 0.000 0.875 153 S N 0.277 116.006 115.700 0.049 0.000 2.652 153 S HA 0.152 4.624 4.470 0.002 0.000 0.270 153 S C 1.250 175.903 174.600 0.088 0.000 1.243 153 S CA -0.703 57.536 58.200 0.065 0.000 0.999 153 S CB 0.453 63.687 63.200 0.057 0.000 0.973 153 S HN 0.154 nan 8.310 nan 0.000 0.544 154 V N 1.188 121.167 119.914 0.108 0.000 2.407 154 V HA -0.133 3.989 4.120 0.002 0.000 0.248 154 V C 2.320 178.473 176.094 0.097 0.000 1.055 154 V CA 1.813 64.174 62.300 0.102 0.000 1.049 154 V CB -1.096 30.792 31.823 0.107 0.000 0.662 154 V HN 0.822 nan 8.190 nan 0.000 0.455 155 L N 0.001 121.281 121.223 0.095 0.000 2.083 155 L HA -0.178 4.164 4.340 0.002 0.000 0.209 155 L C 2.399 179.315 176.870 0.078 0.000 1.083 155 L CA 1.854 56.746 54.840 0.086 0.000 0.752 155 L CB -0.717 41.381 42.059 0.066 0.000 0.899 155 L HN 0.343 nan 8.230 nan 0.000 0.433 156 Q N -1.397 118.445 119.800 0.070 0.000 2.167 156 Q HA -0.144 4.198 4.340 0.002 0.000 0.202 156 Q C 2.117 178.160 176.000 0.072 0.000 0.970 156 Q CA 1.575 57.415 55.803 0.062 0.000 0.855 156 Q CB -0.084 28.681 28.738 0.044 0.000 0.911 156 Q HN 0.476 nan 8.270 nan 0.000 0.438 157 V N 0.800 120.770 119.914 0.093 0.000 2.323 157 V HA -0.246 3.876 4.120 0.002 0.000 0.244 157 V C 2.156 178.306 176.094 0.093 0.000 1.041 157 V CA 1.396 63.756 62.300 0.100 0.000 1.025 157 V CB -0.500 31.378 31.823 0.092 0.000 0.656 157 V HN 0.335 nan 8.190 nan 0.000 0.451 158 L N 0.072 121.362 121.223 0.112 0.000 2.043 158 L HA -0.224 4.117 4.340 0.002 0.000 0.212 158 L C 1.943 178.930 176.870 0.195 0.000 1.075 158 L CA 1.642 56.571 54.840 0.147 0.000 0.752 158 L CB -0.505 41.647 42.059 0.156 0.000 0.891 158 L HN 0.366 nan 8.230 nan 0.000 0.432 159 D N -1.114 119.389 120.400 0.171 0.000 2.339 159 D HA 0.079 4.721 4.640 0.002 0.000 0.217 159 D C 0.809 177.258 176.300 0.249 0.000 1.050 159 D CA 0.177 54.329 54.000 0.253 0.000 0.856 159 D CB 0.316 41.206 40.800 0.151 0.000 0.922 159 D HN 0.137 nan 8.370 nan 0.000 0.518 160 M N 0.200 119.857 119.600 0.096 0.000 2.253 160 M HA -0.268 4.213 4.480 0.002 0.000 0.195 160 M C -0.549 175.683 176.300 -0.114 0.000 0.512 160 M CA 0.649 55.885 55.300 -0.107 0.000 0.442 160 M CB -1.769 30.602 32.600 -0.381 0.000 1.189 160 M HN 0.103 nan 8.290 nan 0.000 0.923 161 Q N 0.581 120.370 119.800 -0.019 0.000 2.404 161 Q HA 0.556 4.897 4.340 0.002 0.000 0.368 161 Q C -0.457 175.514 176.000 -0.048 0.000 0.939 161 Q CA -0.001 55.797 55.803 -0.009 0.000 1.099 161 Q CB 0.737 29.506 28.738 0.052 0.000 1.284 161 Q HN 0.595 nan 8.270 nan 0.000 0.421 162 I N -0.018 120.486 120.570 -0.109 0.000 2.466 162 I HA 0.224 4.395 4.170 0.002 0.000 0.289 162 I C -0.096 175.921 176.117 -0.167 0.000 1.026 162 I CA -0.829 60.391 61.300 -0.133 0.000 1.078 162 I CB 2.179 40.078 38.000 -0.168 0.000 1.249 162 I HN -0.006 nan 8.210 nan 0.000 0.429 163 S N 7.063 122.681 115.700 -0.136 0.000 2.481 163 S HA 0.574 5.046 4.470 0.002 0.000 0.276 163 S C -0.509 174.002 174.600 -0.148 0.000 1.247 163 S CA -0.091 58.036 58.200 -0.122 0.000 1.053 163 S CB -0.089 63.062 63.200 -0.081 0.000 0.925 163 S HN 0.403 nan 8.310 nan 0.000 0.491 164 I N 3.467 123.956 120.570 -0.134 0.000 2.582 164 I HA 0.258 4.429 4.170 0.002 0.000 0.292 164 I C -0.750 175.349 176.117 -0.029 0.000 1.066 164 I CA -0.918 60.309 61.300 -0.122 0.000 1.053 164 I CB 2.091 39.992 38.000 -0.165 0.000 1.241 164 I HN 0.463 nan 8.210 nan 0.000 0.421 165 D N 5.470 125.860 120.400 -0.017 0.000 2.416 165 D HA 0.030 4.672 4.640 0.002 0.000 0.240 165 D C -1.301 175.053 176.300 0.091 0.000 1.250 165 D CA 0.512 54.524 54.000 0.021 0.000 0.967 165 D CB -0.074 40.719 40.800 -0.012 0.000 1.059 165 D HN 0.354 nan 8.370 nan 0.000 0.512 166 Y N 3.352 123.635 120.300 -0.028 0.000 2.594 166 Y HA 0.246 4.798 4.550 0.003 0.000 0.338 166 Y C -0.286 175.637 175.900 0.037 0.000 1.019 166 Y CA -1.098 57.008 58.100 0.010 0.000 1.306 166 Y CB 0.347 38.805 38.460 -0.004 0.000 1.094 166 Y HN 0.230 nan 8.280 nan 0.000 0.534 167 N N 4.130 122.788 118.700 -0.070 0.000 2.440 167 N HA -0.012 4.730 4.740 0.002 0.000 0.265 167 N C -0.318 175.182 175.510 -0.018 0.000 1.239 167 N CA 0.143 53.179 53.050 -0.024 0.000 0.909 167 N CB 0.562 39.025 38.487 -0.040 0.000 1.066 167 N HN 0.595 nan 8.380 nan 0.000 0.474 176 E N 0.627 120.716 120.200 -0.185 0.000 2.152 176 E HA 0.018 4.369 4.350 0.002 0.000 0.192 176 E C 1.937 178.347 176.600 -0.316 0.000 0.983 176 E CA 1.288 57.517 56.400 -0.284 0.000 0.818 176 E CB -0.201 29.025 29.700 -0.790 0.000 0.758 176 E HN 0.537 nan 8.360 nan 0.000 0.467 177 V N 0.495 120.224 119.914 -0.308 0.000 2.343 177 V HA -0.260 3.861 4.120 0.002 0.000 0.247 177 V C 1.734 177.855 176.094 0.044 0.000 1.051 177 V CA 1.710 63.995 62.300 -0.024 0.000 1.036 177 V CB -0.060 31.821 31.823 0.096 0.000 0.654 177 V HN 0.246 nan 8.190 nan 0.000 0.451 178 Q N -0.386 119.426 119.800 0.020 0.000 2.083 178 Q HA -0.107 4.235 4.340 0.002 0.000 0.198 178 Q C 2.280 178.282 176.000 0.003 0.000 0.969 178 Q CA 2.171 57.997 55.803 0.038 0.000 0.838 178 Q CB -0.961 27.802 28.738 0.041 0.000 0.900 178 Q HN 0.656 nan 8.270 nan 0.000 0.436 179 T N 0.327 114.871 114.554 -0.017 0.000 2.788 179 T HA -0.173 4.178 4.350 0.002 0.000 0.268 179 T C 1.694 176.234 174.700 -0.267 0.000 1.044 179 T CA 1.548 63.626 62.100 -0.036 0.000 1.139 179 T CB -0.333 68.600 68.868 0.109 0.000 0.867 179 T HN 0.486 nan 8.240 nan 0.000 0.454 180 H N 0.084 118.780 119.070 -0.625 0.000 2.353 180 H HA -0.035 4.522 4.556 0.003 0.000 0.300 180 H C 2.506 177.611 175.328 -0.371 0.000 1.090 180 H CA 0.999 56.444 56.048 -1.005 0.000 1.327 180 H CB -0.255 29.178 29.762 -0.549 0.000 1.383 180 H HN 0.394 nan 8.280 nan 0.000 0.508 181 G N 0.038 108.815 108.800 -0.040 0.000 2.408 181 G HA2 -0.193 3.768 3.960 0.002 0.000 0.217 181 G HA3 -0.193 3.768 3.960 0.002 0.000 0.217 181 G C 1.697 176.557 174.900 -0.067 0.000 1.150 181 G CA 0.190 45.251 45.100 -0.064 0.000 0.776 181 G HN 0.339 nan 8.290 nan 0.000 0.542 182 R N 0.524 120.999 120.500 -0.041 0.000 2.092 182 R HA 0.002 4.343 4.340 0.002 0.000 0.231 182 R C 2.831 179.104 176.300 -0.045 0.000 1.119 182 R CA 1.285 57.370 56.100 -0.024 0.000 0.970 182 R CB -0.288 30.010 30.300 -0.003 0.000 0.864 182 R HN 0.279 nan 8.270 nan 0.000 0.440 183 S N 0.551 116.204 115.700 -0.079 0.000 2.447 183 S HA -0.054 4.417 4.470 0.002 0.000 0.233 183 S C 1.737 176.302 174.600 -0.058 0.000 1.006 183 S CA 1.138 59.307 58.200 -0.051 0.000 0.957 183 S CB 0.200 63.361 63.200 -0.066 0.000 0.773 183 S HN 0.439 nan 8.310 nan 0.000 0.507 184 A N -0.087 122.658 122.820 -0.124 0.000 2.303 184 A HA 0.578 4.899 4.320 0.002 0.000 0.217 184 A C 1.534 178.983 177.584 -0.225 0.000 1.205 184 A CA 0.632 52.536 52.037 -0.221 0.000 0.875 184 A CB -0.200 18.491 19.000 -0.515 0.000 0.910 184 A HN 0.788 nan 8.150 nan 0.000 0.501 185 G N -2.752 105.975 108.800 -0.122 0.000 2.159 185 G HA2 -0.250 3.712 3.960 0.002 0.000 0.227 185 G HA3 -0.250 3.712 3.960 0.002 0.000 0.227 185 G C 0.445 175.365 174.900 0.033 0.000 0.986 185 G CA 0.345 45.421 45.100 -0.039 0.000 0.651 185 G HN 0.374 nan 8.290 nan 0.000 0.523 186 W N 0.891 121.992 121.300 -0.332 0.000 2.678 186 W HA 0.423 5.084 4.660 0.002 0.000 0.256 186 W C 1.621 178.045 176.519 -0.157 0.000 1.280 186 W CA 0.655 57.829 57.345 -0.285 0.000 1.345 186 W CB 0.170 29.410 29.460 -0.366 0.000 1.118 186 W HN 0.231 nan 8.180 nan 0.000 0.629 187 R N -1.453 119.094 120.500 0.078 0.000 2.836 187 R HA 0.347 4.689 4.340 0.002 0.000 0.269 187 R C -0.348 175.963 176.300 0.017 0.000 1.010 187 R CA -0.832 55.291 56.100 0.039 0.000 0.930 187 R CB 1.214 31.549 30.300 0.059 0.000 1.218 187 R HN -0.409 nan 8.270 nan 0.000 0.473 188 T N 2.125 116.687 114.554 0.013 0.000 2.888 188 T HA 0.031 4.382 4.350 0.002 0.000 0.301 188 T C 0.377 175.091 174.700 0.023 0.000 1.001 188 T CA 0.216 62.324 62.100 0.014 0.000 1.147 188 T CB 0.232 69.108 68.868 0.014 0.000 0.931 188 T HN 0.291 nan 8.240 nan 0.000 0.541 189 R N 2.719 123.233 120.500 0.025 0.000 2.623 189 R HA 0.172 4.513 4.340 0.002 0.000 0.271 189 R C -0.071 176.257 176.300 0.047 0.000 1.043 189 R CA 0.008 56.128 56.100 0.033 0.000 1.083 189 R CB 0.445 30.767 30.300 0.036 0.000 0.974 189 R HN 0.598 nan 8.270 nan 0.000 0.436 190 R N 1.467 121.999 120.500 0.053 0.000 2.664 190 R HA 0.156 4.497 4.340 0.002 0.000 0.286 190 R C -0.740 175.619 176.300 0.099 0.000 0.967 190 R CA -1.056 55.088 56.100 0.074 0.000 0.933 190 R CB 1.132 31.467 30.300 0.060 0.000 1.146 190 R HN 0.598 nan 8.270 nan 0.000 0.468 191 H N 0.157 119.241 119.070 0.024 0.000 2.964 191 H HA 0.131 4.688 4.556 0.002 0.000 0.328 191 H C 1.196 176.541 175.328 0.028 0.000 1.030 191 H CA 2.002 58.065 56.048 0.025 0.000 1.445 191 H CB 0.522 30.297 29.762 0.021 0.000 1.449 191 H HN 0.814 nan 8.280 nan 0.000 0.581 192 G N 3.844 112.375 108.800 -0.448 0.000 2.213 192 G HA2 -0.254 3.707 3.960 0.002 0.000 0.236 192 G HA3 -0.254 3.707 3.960 0.002 0.000 0.236 192 G C 0.070 174.908 174.900 -0.104 0.000 0.991 192 G CA 0.099 45.023 45.100 -0.294 0.000 0.629 192 G HN 0.693 nan 8.290 nan 0.000 0.517 193 D N 2.186 122.559 120.400 -0.046 0.000 2.382 193 D HA 0.446 5.088 4.640 0.002 0.000 0.240 193 D C -1.761 174.554 176.300 0.025 0.000 1.146 193 D CA -0.713 53.296 54.000 0.015 0.000 0.897 193 D CB 0.642 41.459 40.800 0.028 0.000 1.197 193 D HN 0.147 nan 8.370 nan 0.000 0.432 194 P HA 0.071 nan 4.420 nan 0.000 0.269 194 P C -0.033 177.300 177.300 0.055 0.000 1.215 194 P CA -0.163 62.986 63.100 0.081 0.000 0.780 194 P CB 0.643 32.443 31.700 0.166 0.000 0.898 195 A N 2.057 124.903 122.820 0.043 0.000 1.930 195 A HA -0.042 4.279 4.320 0.002 0.000 0.217 195 A C 0.567 178.163 177.584 0.020 0.000 1.175 195 A CA 1.865 53.920 52.037 0.031 0.000 0.627 195 A CB -0.861 18.157 19.000 0.030 0.000 0.815 195 A HN 0.735 nan 8.150 nan 0.000 0.443 196 D N -5.508 114.901 120.400 0.015 0.000 2.752 196 D HA 0.365 5.007 4.640 0.002 0.000 0.313 196 D C 0.408 176.678 176.300 -0.049 0.000 1.225 196 D CA 0.133 54.112 54.000 -0.035 0.000 0.976 196 D CB -0.023 40.737 40.800 -0.067 0.000 1.443 196 D HN -0.188 nan 8.370 nan 0.000 0.515 197 T N -1.100 113.356 114.554 -0.163 0.000 2.821 197 T HA -0.097 4.255 4.350 0.002 0.000 0.267 197 T C 1.309 175.880 174.700 -0.215 0.000 1.046 197 T CA 1.325 63.365 62.100 -0.100 0.000 1.139 197 T CB -0.577 68.299 68.868 0.014 0.000 0.871 197 T HN 0.363 nan 8.240 nan 0.000 0.454 198 Y N 1.592 121.606 120.300 -0.475 0.000 2.145 198 Y HA -0.075 4.476 4.550 0.002 0.000 0.286 198 Y C 2.616 178.364 175.900 -0.253 0.000 1.145 198 Y CA 0.879 58.521 58.100 -0.764 0.000 1.148 198 Y CB -0.527 37.193 38.460 -1.234 0.000 0.981 198 Y HN 0.278 nan 8.280 nan 0.000 0.507 199 E N -0.189 120.037 120.200 0.044 0.000 2.110 199 E HA -0.241 4.110 4.350 0.002 0.000 0.193 199 E C 2.038 178.705 176.600 0.111 0.000 0.988 199 E CA 1.114 57.571 56.400 0.094 0.000 0.804 199 E CB -0.381 29.366 29.700 0.078 0.000 0.745 199 E HN 0.437 nan 8.360 nan 0.000 0.458 200 F N 1.346 121.289 119.950 -0.013 0.000 2.126 200 F HA -0.177 4.351 4.527 0.002 0.000 0.299 200 F C 1.812 177.619 175.800 0.010 0.000 1.096 200 F CA 1.383 59.371 58.000 -0.020 0.000 1.255 200 F CB -0.196 38.765 39.000 -0.065 0.000 0.997 200 F HN -0.004 nan 8.300 nan 0.000 0.479 201 L N 0.090 121.303 121.223 -0.016 0.000 2.083 201 L HA -0.207 4.135 4.340 0.002 0.000 0.209 201 L C 2.548 179.439 176.870 0.036 0.000 1.083 201 L CA 1.780 56.611 54.840 -0.016 0.000 0.752 201 L CB -1.377 40.817 42.059 0.226 0.000 0.899 201 L HN 0.353 nan 8.230 nan 0.000 0.433 202 T N -4.448 110.171 114.554 0.109 0.000 3.051 202 T HA -0.120 4.231 4.350 0.002 0.000 0.269 202 T C 1.689 176.387 174.700 -0.002 0.000 1.127 202 T CA 1.213 63.377 62.100 0.107 0.000 1.107 202 T CB -0.608 68.351 68.868 0.153 0.000 0.898 202 T HN 0.471 nan 8.240 nan 0.000 0.517 203 T N -0.222 114.266 114.554 -0.110 0.000 3.081 203 T HA 0.328 4.679 4.350 0.002 0.000 0.255 203 T C 0.665 175.263 174.700 -0.169 0.000 1.113 203 T CA -0.351 61.665 62.100 -0.140 0.000 1.082 203 T CB -0.582 68.179 68.868 -0.178 0.000 0.939 203 T HN 0.392 nan 8.240 nan 0.000 0.506 204 L N 2.127 123.237 121.223 -0.188 0.000 2.380 204 L HA 0.501 4.842 4.340 0.002 0.000 0.273 204 L C 0.583 177.382 176.870 -0.118 0.000 1.138 204 L CA -0.682 54.061 54.840 -0.161 0.000 0.832 204 L CB 0.532 42.520 42.059 -0.118 0.000 1.124 204 L HN 0.090 nan 8.230 nan 0.000 0.454 205 R N 1.648 122.081 120.500 -0.112 0.000 2.867 205 R HA 0.837 5.179 4.340 0.002 0.000 0.268 205 R C -0.354 175.877 176.300 -0.115 0.000 1.014 205 R CA -0.850 55.186 56.100 -0.106 0.000 0.946 205 R CB 2.050 32.306 30.300 -0.073 0.000 1.208 205 R HN 0.783 nan 8.270 nan 0.000 0.477 206 G N -0.417 108.314 108.800 -0.115 0.000 2.649 206 G HA2 0.230 4.192 3.960 0.002 0.000 0.290 206 G HA3 0.230 4.192 3.960 0.002 0.000 0.290 206 G C -0.542 174.309 174.900 -0.082 0.000 1.426 206 G CA -0.557 44.481 45.100 -0.104 0.000 0.794 206 G HN 0.492 nan 8.290 nan 0.000 0.483 207 D N -1.596 118.764 120.400 -0.067 0.000 2.363 207 D HA 0.269 4.911 4.640 0.002 0.000 0.226 207 D C 1.688 177.956 176.300 -0.053 0.000 1.020 207 D CA 1.162 55.132 54.000 -0.051 0.000 0.892 207 D CB 0.100 40.878 40.800 -0.037 0.000 0.900 207 D HN 1.700 nan 8.370 nan 0.000 0.531 208 G N -0.104 108.655 108.800 -0.070 0.000 2.213 208 G HA2 -0.274 3.688 3.960 0.002 0.000 0.236 208 G HA3 -0.274 3.688 3.960 0.002 0.000 0.236 208 G C 0.420 175.286 174.900 -0.057 0.000 0.991 208 G CA 0.297 45.357 45.100 -0.066 0.000 0.629 208 G HN 0.849 nan 8.290 nan 0.000 0.517 209 S N 0.423 116.092 115.700 -0.052 0.000 2.585 209 S HA 0.718 5.189 4.470 0.002 0.000 0.273 209 S C 0.281 174.852 174.600 -0.047 0.000 1.339 209 S CA 0.986 59.162 58.200 -0.040 0.000 1.028 209 S CB 1.876 65.058 63.200 -0.030 0.000 0.906 209 S HN 1.747 nan 8.310 nan 0.000 0.528 210 T N -2.796 111.739 114.554 -0.032 0.000 2.838 210 T HA 0.798 5.149 4.350 0.002 0.000 0.292 210 T C 0.791 175.487 174.700 -0.007 0.000 1.113 210 T CA -0.254 61.829 62.100 -0.028 0.000 1.008 210 T CB 1.037 69.891 68.868 -0.024 0.000 1.259 210 T HN 1.934 nan 8.240 nan 0.000 0.520 211 G N 0.027 108.830 108.800 0.006 0.000 2.259 211 G HA2 -0.180 3.781 3.960 0.002 0.000 0.217 211 G HA3 -0.180 3.781 3.960 0.002 0.000 0.217 211 G C -0.089 174.839 174.900 0.048 0.000 1.001 211 G CA 0.231 45.347 45.100 0.026 0.000 0.627 211 G HN 1.059 nan 8.290 nan 0.000 0.501 212 E N 0.034 120.257 120.200 0.039 0.000 2.204 212 E HA 0.581 4.932 4.350 0.002 0.000 0.276 212 E C -0.510 176.138 176.600 0.081 0.000 0.974 212 E CA -1.189 55.254 56.400 0.072 0.000 0.815 212 E CB 0.728 30.459 29.700 0.051 0.000 1.119 212 E HN 0.184 nan 8.360 nan 0.000 0.393 213 F N 3.730 123.667 119.950 -0.022 0.000 2.543 213 F HA 0.067 4.596 4.527 0.003 0.000 0.375 213 F C -0.289 175.472 175.800 -0.065 0.000 1.075 213 F CA 0.474 58.431 58.000 -0.072 0.000 1.225 213 F CB 0.522 39.476 39.000 -0.077 0.000 1.099 213 F HN 0.401 nan 8.300 nan 0.000 0.561 214 Q N 6.654 125.976 119.800 -0.796 0.000 2.294 214 Q HA 0.155 4.497 4.340 0.002 0.000 0.264 214 Q C -1.848 173.545 176.000 -1.012 0.000 0.992 214 Q CA -0.983 54.379 55.803 -0.736 0.000 0.747 214 Q CB 1.104 29.634 28.738 -0.347 0.000 1.262 214 Q HN 0.758 nan 8.270 nan 0.000 0.452 215 Y N 3.533 123.115 120.300 -1.195 0.000 2.537 215 Y HA 0.279 4.830 4.550 0.003 0.000 0.339 215 Y C -0.978 174.637 175.900 -0.474 0.000 1.066 215 Y CA -0.024 57.574 58.100 -0.836 0.000 1.357 215 Y CB 0.576 38.862 38.460 -0.289 0.000 1.175 215 Y HN 0.671 nan 8.280 nan 0.000 0.525 216 C N 5.848 124.620 119.300 -0.880 0.000 2.599 216 C HA 0.335 4.796 4.460 0.002 0.000 0.354 216 C C 1.132 175.608 174.990 -0.857 0.000 1.092 216 C CA -0.397 58.110 59.018 -0.851 0.000 1.280 216 C CB 0.373 27.703 27.740 -0.684 0.000 1.829 216 C HN 0.997 nan 8.230 nan 0.000 0.454 217 S N 2.801 117.958 115.700 -0.904 0.000 2.442 217 S HA -0.109 4.362 4.470 0.002 0.000 0.236 217 S C 1.999 176.322 174.600 -0.463 0.000 1.007 217 S CA 1.490 59.178 58.200 -0.853 0.000 0.965 217 S CB -0.013 62.362 63.200 -1.374 0.000 0.773 217 S HN 1.030 nan 8.310 nan 0.000 0.504 218 A N 2.586 125.241 122.820 -0.275 0.000 1.978 218 A HA -0.170 4.152 4.320 0.002 0.000 0.220 218 A C 1.935 179.504 177.584 -0.026 0.000 1.170 218 A CA 1.437 53.496 52.037 0.037 0.000 0.636 218 A CB -0.577 18.474 19.000 0.085 0.000 0.810 218 A HN 0.439 nan 8.150 nan 0.000 0.448 219 N N -0.071 118.572 118.700 -0.096 0.000 2.104 219 N HA -0.118 4.623 4.740 0.002 0.000 0.190 219 N C 1.694 177.150 175.510 -0.090 0.000 1.024 219 N CA 2.034 55.050 53.050 -0.056 0.000 0.853 219 N CB -0.773 37.665 38.487 -0.081 0.000 1.008 219 N HN 0.527 nan 8.380 nan 0.000 0.424 220 T N 1.159 115.648 114.554 -0.109 0.000 2.821 220 T HA -0.057 4.294 4.350 0.002 0.000 0.267 220 T C 1.065 175.717 174.700 -0.080 0.000 1.046 220 T CA 0.956 63.005 62.100 -0.085 0.000 1.139 220 T CB -0.145 68.665 68.868 -0.098 0.000 0.871 220 T HN 0.185 nan 8.240 nan 0.000 0.454 221 D N 0.898 121.286 120.400 -0.019 0.000 2.183 221 D HA -0.007 4.634 4.640 0.002 0.000 0.203 221 D C 2.210 178.607 176.300 0.163 0.000 0.969 221 D CA 0.435 54.490 54.000 0.092 0.000 0.842 221 D CB -0.342 40.608 40.800 0.250 0.000 0.957 221 D HN 0.206 nan 8.370 nan 0.000 0.484 222 V N 1.191 121.115 119.914 0.017 0.000 2.343 222 V HA -0.202 3.920 4.120 0.002 0.000 0.247 222 V C 2.621 178.723 176.094 0.015 0.000 1.051 222 V CA 1.028 63.302 62.300 -0.043 0.000 1.036 222 V CB -0.410 31.111 31.823 -0.503 0.000 0.654 222 V HN 0.208 nan 8.190 nan 0.000 0.451 223 L N 0.119 121.329 121.223 -0.021 0.000 2.042 223 L HA -0.193 4.148 4.340 0.002 0.000 0.210 223 L C 2.729 179.620 176.870 0.035 0.000 1.076 223 L CA 1.718 56.555 54.840 -0.006 0.000 0.749 223 L CB -0.831 41.222 42.059 -0.009 0.000 0.893 223 L HN 0.377 nan 8.230 nan 0.000 0.432 224 A N -0.813 122.009 122.820 0.003 0.000 1.930 224 A HA -0.249 4.072 4.320 0.002 0.000 0.217 224 A C 2.064 179.862 177.584 0.357 0.000 1.175 224 A CA 1.226 53.243 52.037 -0.033 0.000 0.627 224 A CB -0.882 17.785 19.000 -0.554 0.000 0.815 224 A HN 0.627 nan 8.150 nan 0.000 0.443 225 W N 0.901 122.313 121.300 0.186 0.000 2.358 225 W HA -0.134 4.527 4.660 0.002 0.000 0.303 225 W C 1.829 178.413 176.519 0.108 0.000 1.208 225 W CA 1.327 58.779 57.345 0.179 0.000 1.274 225 W CB -0.778 28.735 29.460 0.087 0.000 1.138 225 W HN 0.340 nan 8.180 nan 0.000 0.515 226 I N -0.148 120.544 120.570 0.203 0.000 2.163 226 I HA -0.349 3.822 4.170 0.002 0.000 0.243 226 I C 2.310 178.444 176.117 0.029 0.000 1.085 226 I CA 1.483 62.792 61.300 0.015 0.000 1.347 226 I CB -1.060 36.873 38.000 -0.111 0.000 1.044 226 I HN -0.298 nan 8.210 nan 0.000 0.408 227 V N 0.762 120.723 119.914 0.078 0.000 2.324 227 V HA -0.312 3.810 4.120 0.002 0.000 0.250 227 V C 2.387 178.572 176.094 0.151 0.000 1.060 227 V CA 2.036 64.380 62.300 0.073 0.000 1.042 227 V CB -0.676 31.249 31.823 0.169 0.000 0.650 227 V HN 0.464 nan 8.190 nan 0.000 0.450 228 E N -0.532 119.838 120.200 0.283 0.000 2.072 228 E HA -0.185 4.166 4.350 0.002 0.000 0.191 228 E C 2.522 179.255 176.600 0.221 0.000 0.985 228 E CA 0.817 57.396 56.400 0.298 0.000 0.801 228 E CB -0.162 29.790 29.700 0.419 0.000 0.750 228 E HN 0.385 nan 8.360 nan 0.000 0.452 229 R N 0.514 121.148 120.500 0.223 0.000 2.092 229 R HA -0.059 4.283 4.340 0.002 0.000 0.231 229 R C 2.321 178.686 176.300 0.108 0.000 1.119 229 R CA 0.613 56.803 56.100 0.150 0.000 0.970 229 R CB -0.658 29.714 30.300 0.120 0.000 0.864 229 R HN 0.126 nan 8.270 nan 0.000 0.440 230 V N 0.659 120.620 119.914 0.078 0.000 2.453 230 V HA -0.161 3.960 4.120 0.002 0.000 0.247 230 V C 2.307 178.434 176.094 0.055 0.000 1.048 230 V CA 2.224 64.552 62.300 0.047 0.000 1.049 230 V CB -0.493 31.287 31.823 -0.071 0.000 0.672 230 V HN 0.495 nan 8.190 nan 0.000 0.457 231 T N -3.768 110.829 114.554 0.072 0.000 3.015 231 T HA 0.298 4.649 4.350 0.002 0.000 0.250 231 T C 1.652 176.421 174.700 0.114 0.000 1.057 231 T CA 1.011 63.175 62.100 0.107 0.000 1.066 231 T CB 0.751 69.713 68.868 0.155 0.000 0.959 231 T HN 0.883 nan 8.240 nan 0.000 0.488 232 G N 1.482 110.348 108.800 0.112 0.000 2.184 232 G HA2 -0.206 3.755 3.960 0.002 0.000 0.264 232 G HA3 -0.206 3.755 3.960 0.002 0.000 0.264 232 G C -0.070 174.895 174.900 0.108 0.000 0.975 232 G CA 0.368 45.526 45.100 0.097 0.000 0.642 232 G HN 0.651 nan 8.290 nan 0.000 0.536 233 L N 0.392 121.700 121.223 0.141 0.000 2.325 233 L HA 0.540 4.881 4.340 0.002 0.000 0.279 233 L C 1.320 178.294 176.870 0.174 0.000 1.054 233 L CA -1.194 53.730 54.840 0.141 0.000 0.804 233 L CB 0.945 43.100 42.059 0.161 0.000 1.200 233 L HN 0.079 nan 8.230 nan 0.000 0.436 234 R N 0.548 121.137 120.500 0.148 0.000 2.638 234 R HA -0.116 4.225 4.340 0.002 0.000 0.268 234 R C 0.623 177.046 176.300 0.206 0.000 1.006 234 R CA 0.104 56.318 56.100 0.190 0.000 1.088 234 R CB 0.277 30.651 30.300 0.123 0.000 0.950 234 R HN 0.511 nan 8.270 nan 0.000 0.419 235 Y N 3.195 123.592 120.300 0.162 0.000 2.207 235 Y HA -0.248 4.303 4.550 0.003 0.000 0.287 235 Y C 1.803 177.725 175.900 0.037 0.000 1.156 235 Y CA 1.703 59.858 58.100 0.092 0.000 1.182 235 Y CB -0.076 38.381 38.460 -0.004 0.000 0.979 235 Y HN 0.406 nan 8.280 nan 0.000 0.521 236 V N 0.581 120.458 119.914 -0.061 0.000 2.282 236 V HA -0.360 3.761 4.120 0.002 0.000 0.249 236 V C 2.406 178.428 176.094 -0.121 0.000 1.057 236 V CA 2.468 64.695 62.300 -0.121 0.000 1.032 236 V CB -0.665 31.158 31.823 0.000 0.000 0.645 236 V HN 0.526 nan 8.190 nan 0.000 0.447 237 E N -0.248 119.933 120.200 -0.032 0.000 2.112 237 E HA -0.123 4.228 4.350 0.002 0.000 0.190 237 E C 2.227 178.827 176.600 0.000 0.000 0.979 237 E CA 0.979 57.380 56.400 0.002 0.000 0.814 237 E CB -0.197 29.531 29.700 0.047 0.000 0.762 237 E HN 0.557 nan 8.360 nan 0.000 0.460 238 A N 1.146 123.975 122.820 0.014 0.000 1.933 238 A HA -0.162 4.159 4.320 0.002 0.000 0.218 238 A C 2.119 179.738 177.584 0.059 0.000 1.175 238 A CA 1.181 53.309 52.037 0.150 0.000 0.628 238 A CB -0.606 18.494 19.000 0.167 0.000 0.814 238 A HN 0.392 nan 8.150 nan 0.000 0.444 239 L N -0.316 120.748 121.223 -0.265 0.000 2.131 239 L HA -0.077 4.264 4.340 0.002 0.000 0.210 239 L C 2.556 179.432 176.870 0.010 0.000 1.092 239 L CA 2.416 57.114 54.840 -0.237 0.000 0.759 239 L CB -0.611 41.144 42.059 -0.506 0.000 0.903 239 L HN 0.366 nan 8.230 nan 0.000 0.435 240 S N -1.798 113.908 115.700 0.009 0.000 2.345 240 S HA -0.159 4.312 4.470 0.002 0.000 0.219 240 S C 1.909 176.544 174.600 0.059 0.000 1.031 240 S CA 1.652 59.914 58.200 0.104 0.000 0.984 240 S CB -0.451 62.789 63.200 0.067 0.000 0.874 240 S HN 0.595 nan 8.310 nan 0.000 0.451 241 T N 0.525 115.062 114.554 -0.028 0.000 2.746 241 T HA -0.051 4.300 4.350 0.002 0.000 0.267 241 T C 1.215 175.735 174.700 -0.300 0.000 1.039 241 T CA 1.649 63.629 62.100 -0.199 0.000 1.142 241 T CB -0.429 68.231 68.868 -0.347 0.000 0.866 241 T HN 0.565 nan 8.240 nan 0.000 0.444 242 Y N -0.587 119.716 120.300 0.005 0.000 2.500 242 Y HA 0.391 4.942 4.550 0.003 0.000 0.270 242 Y C 1.568 177.474 175.900 0.011 0.000 1.134 242 Y CA -0.120 57.977 58.100 -0.004 0.000 1.293 242 Y CB 0.269 38.717 38.460 -0.021 0.000 1.063 242 Y HN 0.104 nan 8.280 nan 0.000 0.534 243 L N -2.710 118.608 121.223 0.157 0.000 2.865 243 L HA 0.131 4.473 4.340 0.002 0.000 0.167 243 L C 1.622 178.574 176.870 0.136 0.000 1.135 243 L CA 0.501 55.431 54.840 0.149 0.000 0.895 243 L CB -0.856 41.327 42.059 0.206 0.000 1.643 243 L HN 0.201 nan 8.230 nan 0.000 0.518 244 W N 1.232 122.535 121.300 0.005 0.000 2.363 244 W HA -0.100 4.562 4.660 0.003 0.000 0.296 244 W C 1.856 178.374 176.519 -0.001 0.000 1.212 244 W CA 1.903 59.251 57.345 0.006 0.000 1.260 244 W CB 0.049 29.507 29.460 -0.003 0.000 1.131 244 W HN 0.405 nan 8.180 nan 0.000 0.530 245 A N 0.149 123.030 122.820 0.101 0.000 2.209 245 A HA -0.113 4.208 4.320 0.002 0.000 0.212 245 A C 1.743 179.295 177.584 -0.054 0.000 1.158 245 A CA 1.016 53.064 52.037 0.019 0.000 0.742 245 A CB -0.410 18.610 19.000 0.032 0.000 0.790 245 A HN 0.296 nan 8.150 nan 0.000 0.472 246 K N -0.534 119.823 120.400 -0.071 0.000 2.374 246 K HA 0.309 4.631 4.320 0.002 0.000 0.196 246 K C 0.909 177.437 176.600 -0.119 0.000 1.023 246 K CA -0.000 56.240 56.287 -0.077 0.000 1.103 246 K CB 0.132 32.605 32.500 -0.046 0.000 0.848 246 K HN 0.414 nan 8.250 nan 0.000 0.528 247 L N 0.656 121.750 121.223 -0.215 0.000 2.492 247 L HA 0.000 4.342 4.340 0.002 0.000 0.223 247 L C 0.104 176.839 176.870 -0.225 0.000 1.132 247 L CA 0.144 54.821 54.840 -0.271 0.000 0.850 247 L CB -0.323 41.425 42.059 -0.517 0.000 0.966 247 L HN 0.250 nan 8.230 nan 0.000 0.454 248 D N 0.952 121.239 120.400 -0.187 0.000 2.697 248 D HA -0.172 4.469 4.640 0.002 0.000 0.238 248 D C 0.300 176.506 176.300 -0.156 0.000 1.152 248 D CA 0.644 54.565 54.000 -0.133 0.000 0.666 248 D CB -0.438 40.309 40.800 -0.088 0.000 1.037 248 D HN 0.345 nan 8.370 nan 0.000 0.423 249 A N 0.512 123.188 122.820 -0.241 0.000 2.386 249 A HA 0.300 4.622 4.320 0.002 0.000 0.248 249 A C 1.372 178.929 177.584 -0.044 0.000 1.082 249 A CA 0.233 52.141 52.037 -0.215 0.000 0.789 249 A CB 0.501 19.250 19.000 -0.419 0.000 1.025 249 A HN 0.274 nan 8.150 nan 0.000 0.490 250 D N 0.373 120.779 120.400 0.010 0.000 2.123 250 D HA -0.021 4.621 4.640 0.002 0.000 0.200 250 D C 0.575 176.921 176.300 0.077 0.000 0.976 250 D CA 1.330 55.352 54.000 0.037 0.000 0.831 250 D CB 0.148 40.971 40.800 0.038 0.000 0.974 250 D HN 0.541 nan 8.370 nan 0.000 0.469 251 R N 0.604 121.197 120.500 0.154 0.000 2.837 251 R HA 0.255 4.597 4.340 0.002 0.000 0.271 251 R C -0.821 175.679 176.300 0.333 0.000 0.993 251 R CA -0.857 55.348 56.100 0.176 0.000 0.931 251 R CB 1.479 31.855 30.300 0.127 0.000 1.206 251 R HN -0.146 nan 8.270 nan 0.000 0.474 252 D N 0.964 121.497 120.400 0.221 0.000 2.419 252 D HA 0.137 4.779 4.640 0.002 0.000 0.236 252 D C 0.078 176.387 176.300 0.015 0.000 1.165 252 D CA 0.522 54.630 54.000 0.179 0.000 0.882 252 D CB 0.688 41.514 40.800 0.044 0.000 1.201 252 D HN 0.537 nan 8.370 nan 0.000 0.443 253 A N 1.037 123.564 122.820 -0.488 0.000 2.246 253 A HA 0.649 4.971 4.320 0.002 0.000 0.291 253 A C 0.383 177.752 177.584 -0.358 0.000 1.103 253 A CA -0.366 51.276 52.037 -0.658 0.000 0.844 253 A CB 0.568 18.682 19.000 -1.476 0.000 1.136 253 A HN 0.595 nan 8.150 nan 0.000 0.500 254 T N -1.827 112.572 114.554 -0.259 0.000 2.916 254 T HA 0.703 5.054 4.350 0.002 0.000 0.292 254 T C -0.612 174.013 174.700 -0.126 0.000 1.064 254 T CA -0.492 61.516 62.100 -0.154 0.000 1.011 254 T CB 1.256 70.069 68.868 -0.092 0.000 1.152 254 T HN 0.960 nan 8.240 nan 0.000 0.510 255 I N 1.903 122.432 120.570 -0.067 0.000 2.644 255 I HA 0.432 4.603 4.170 0.002 0.000 0.291 255 I C 0.103 176.239 176.117 0.032 0.000 1.180 255 I CA -0.694 60.602 61.300 -0.008 0.000 1.040 255 I CB 2.309 40.298 38.000 -0.018 0.000 1.255 255 I HN 1.124 nan 8.210 nan 0.000 0.422 256 T N 4.631 119.247 114.554 0.102 0.000 2.932 256 T HA 0.445 4.797 4.350 0.002 0.000 0.312 256 T C -0.076 174.660 174.700 0.060 0.000 1.071 256 T CA -0.362 61.800 62.100 0.103 0.000 1.128 256 T CB 1.028 70.051 68.868 0.258 0.000 0.984 256 T HN 0.573 nan 8.240 nan 0.000 0.549 257 V N -0.156 119.774 119.914 0.026 0.000 2.914 257 V HA 0.724 4.846 4.120 0.002 0.000 0.314 257 V C -0.340 175.752 176.094 -0.005 0.000 1.084 257 V CA -1.263 61.042 62.300 0.008 0.000 0.963 257 V CB 1.792 33.640 31.823 0.042 0.000 1.025 257 V HN 1.086 nan 8.190 nan 0.000 0.432 258 D N 1.136 121.534 120.400 -0.003 0.000 2.478 258 D HA 0.230 4.872 4.640 0.002 0.000 0.274 258 D C 1.316 177.624 176.300 0.014 0.000 1.234 258 D CA 0.418 54.410 54.000 -0.013 0.000 1.069 258 D CB 0.309 41.097 40.800 -0.020 0.000 1.113 258 D HN 0.811 nan 8.370 nan 0.000 0.571 259 T N -4.482 110.076 114.554 0.008 0.000 3.072 259 T HA -0.090 4.262 4.350 0.002 0.000 0.266 259 T C 1.513 176.228 174.700 0.026 0.000 1.127 259 T CA 1.331 63.446 62.100 0.024 0.000 1.107 259 T CB -0.994 67.888 68.868 0.023 0.000 0.910 259 T HN 0.591 nan 8.240 nan 0.000 0.513 260 T N -2.571 111.996 114.554 0.021 0.000 3.086 260 T HA 0.489 4.841 4.350 0.002 0.000 0.250 260 T C 1.821 176.547 174.700 0.043 0.000 1.074 260 T CA 0.447 62.563 62.100 0.027 0.000 0.988 260 T CB -0.251 68.644 68.868 0.043 0.000 0.988 260 T HN 0.820 nan 8.240 nan 0.000 0.530 261 G N 1.101 109.939 108.800 0.063 0.000 2.157 261 G HA2 -0.216 3.746 3.960 0.002 0.000 0.239 261 G HA3 -0.216 3.746 3.960 0.002 0.000 0.239 261 G C -0.220 174.758 174.900 0.130 0.000 0.982 261 G CA -0.141 45.008 45.100 0.082 0.000 0.650 261 G HN 0.621 nan 8.290 nan 0.000 0.527 262 F N 2.895 122.806 119.950 -0.066 0.000 2.472 262 F HA 0.561 5.089 4.527 0.003 0.000 0.364 262 F C 1.019 176.797 175.800 -0.036 0.000 1.090 262 F CA -0.420 57.515 58.000 -0.107 0.000 1.188 262 F CB 0.545 39.281 39.000 -0.439 0.000 1.105 262 F HN 0.278 nan 8.300 nan 0.000 0.536 263 G N 5.615 114.157 108.800 -0.430 0.000 2.441 263 G HA2 0.050 4.012 3.960 0.002 0.000 0.243 263 G HA3 0.050 4.012 3.960 0.002 0.000 0.243 263 G C -0.777 173.786 174.900 -0.561 0.000 1.281 263 G CA -0.559 44.364 45.100 -0.294 0.000 0.854 263 G HN 0.667 nan 8.290 nan 0.000 0.560 264 F N 3.685 123.370 119.950 -0.442 0.000 2.679 264 F HA 0.364 4.893 4.527 0.002 0.000 0.351 264 F C 1.579 177.083 175.800 -0.494 0.000 1.279 264 F CA -1.142 56.542 58.000 -0.526 0.000 1.227 264 F CB 0.095 38.795 39.000 -0.500 0.000 1.623 264 F HN 0.516 nan 8.300 nan 0.000 0.666 265 A N 3.552 126.000 122.820 -0.620 0.000 1.978 265 A HA -0.237 4.084 4.320 0.002 0.000 0.220 265 A C 2.352 179.692 177.584 -0.406 0.000 1.170 265 A CA 1.938 53.657 52.037 -0.531 0.000 0.636 265 A CB -1.153 17.296 19.000 -0.919 0.000 0.810 265 A HN 0.834 nan 8.150 nan 0.000 0.448 266 H N -2.638 116.051 119.070 -0.633 0.000 2.547 266 H HA 0.226 4.783 4.556 0.002 0.000 0.272 266 H C 1.251 176.292 175.328 -0.478 0.000 0.989 266 H CA 1.206 56.931 56.048 -0.538 0.000 1.214 266 H CB 0.100 29.501 29.762 -0.603 0.000 1.389 266 H HN 0.406 nan 8.280 nan 0.000 0.577 267 G N -0.300 108.035 108.800 -0.774 0.000 3.601 267 G HA2 0.075 4.037 3.960 0.002 0.000 0.192 267 G HA3 0.075 4.037 3.960 0.002 0.000 0.192 267 G C 1.215 176.158 174.900 0.072 0.000 1.184 267 G CA 0.180 45.077 45.100 -0.338 0.000 0.891 267 G HN 0.453 nan 8.290 nan 0.000 0.706 268 G N 0.694 109.557 108.800 0.106 0.000 3.337 268 G HA2 0.405 4.366 3.960 0.002 0.000 0.246 268 G HA3 0.405 4.366 3.960 0.002 0.000 0.246 268 G C 0.173 175.204 174.900 0.219 0.000 1.131 268 G CA 0.051 45.420 45.100 0.448 0.000 0.773 268 G HN 0.250 nan 8.290 nan 0.000 0.544 269 V N 1.284 121.263 119.914 0.108 0.000 2.583 269 V HA 0.458 4.579 4.120 0.002 0.000 0.287 269 V C 0.146 176.258 176.094 0.030 0.000 1.051 269 V CA -0.109 62.201 62.300 0.018 0.000 1.010 269 V CB 1.387 33.190 31.823 -0.032 0.000 0.988 269 V HN 0.164 nan 8.190 nan 0.000 0.478 270 S N 2.800 118.484 115.700 -0.027 0.000 2.513 270 S HA 0.822 5.294 4.470 0.002 0.000 0.299 270 S C -0.393 174.184 174.600 -0.038 0.000 1.087 270 S CA -0.566 57.641 58.200 0.011 0.000 1.012 270 S CB 1.636 64.841 63.200 0.009 0.000 1.044 270 S HN 1.150 nan 8.310 nan 0.000 0.485 271 C N 0.021 119.363 119.300 0.070 0.000 3.284 271 C HA 0.859 5.320 4.460 0.002 0.000 0.348 271 C C 0.196 175.326 174.990 0.234 0.000 1.448 271 C CA -0.880 58.207 59.018 0.115 0.000 1.223 271 C CB 0.603 28.422 27.740 0.132 0.000 1.588 271 C HN 0.867 nan 8.230 nan 0.000 0.451 272 T N -0.576 114.137 114.554 0.266 0.000 2.882 272 T HA 0.555 4.906 4.350 0.002 0.000 0.287 272 T C 1.207 176.076 174.700 0.281 0.000 1.014 272 T CA 0.339 62.601 62.100 0.270 0.000 1.049 272 T CB 1.181 70.169 68.868 0.200 0.000 1.001 272 T HN 1.973 nan 8.240 nan 0.000 0.525 273 A N 1.614 124.616 122.820 0.303 0.000 1.902 273 A HA -0.046 4.275 4.320 0.002 0.000 0.217 273 A C 2.414 180.111 177.584 0.188 0.000 1.181 273 A CA 1.735 53.912 52.037 0.234 0.000 0.623 273 A CB -0.890 18.270 19.000 0.266 0.000 0.818 273 A HN 0.858 nan 8.150 nan 0.000 0.443 274 R N 0.404 121.022 120.500 0.197 0.000 2.081 274 R HA -0.131 4.211 4.340 0.002 0.000 0.235 274 R C 1.329 177.691 176.300 0.103 0.000 1.131 274 R CA 2.126 58.306 56.100 0.133 0.000 0.960 274 R CB -0.670 29.702 30.300 0.120 0.000 0.856 274 R HN 0.479 nan 8.270 nan 0.000 0.436 275 D N -0.223 120.262 120.400 0.141 0.000 2.149 275 D HA -0.122 4.520 4.640 0.002 0.000 0.201 275 D C 1.753 178.125 176.300 0.119 0.000 0.972 275 D CA 0.912 54.971 54.000 0.099 0.000 0.835 275 D CB -0.249 40.705 40.800 0.257 0.000 0.966 275 D HN 0.174 nan 8.370 nan 0.000 0.476 276 L N 1.029 122.401 121.223 0.249 0.000 2.079 276 L HA -0.084 4.258 4.340 0.002 0.000 0.210 276 L C 2.045 179.009 176.870 0.157 0.000 1.081 276 L CA 1.568 56.560 54.840 0.253 0.000 0.752 276 L CB -0.662 41.537 42.059 0.233 0.000 0.896 276 L HN -0.038 nan 8.230 nan 0.000 0.433 277 A N -0.535 122.352 122.820 0.112 0.000 2.019 277 A HA -0.200 4.122 4.320 0.002 0.000 0.219 277 A C 2.340 179.956 177.584 0.054 0.000 1.164 277 A CA 1.524 53.610 52.037 0.081 0.000 0.644 277 A CB -0.551 18.481 19.000 0.053 0.000 0.805 277 A HN 0.539 nan 8.150 nan 0.000 0.449 278 R N -0.680 119.827 120.500 0.011 0.000 2.148 278 R HA -0.056 4.286 4.340 0.002 0.000 0.227 278 R C 1.853 178.144 176.300 -0.016 0.000 1.103 278 R CA 1.256 57.331 56.100 -0.041 0.000 0.983 278 R CB -0.456 29.758 30.300 -0.143 0.000 0.874 278 R HN 0.414 nan 8.270 nan 0.000 0.451 279 V N 0.160 120.097 119.914 0.039 0.000 2.358 279 V HA -0.133 3.989 4.120 0.002 0.000 0.246 279 V C 2.400 178.595 176.094 0.168 0.000 1.047 279 V CA 2.105 64.479 62.300 0.125 0.000 1.035 279 V CB -0.853 31.104 31.823 0.223 0.000 0.658 279 V HN 0.506 nan 8.190 nan 0.000 0.452 280 G N -0.023 108.879 108.800 0.170 0.000 2.418 280 G HA2 -0.308 3.653 3.960 0.002 0.000 0.217 280 G HA3 -0.308 3.653 3.960 0.002 0.000 0.217 280 G C 1.671 176.609 174.900 0.064 0.000 1.158 280 G CA 0.960 46.147 45.100 0.146 0.000 0.771 280 G HN 0.403 nan 8.290 nan 0.000 0.545 281 R N 0.077 120.605 120.500 0.047 0.000 2.091 281 R HA 0.006 4.347 4.340 0.002 0.000 0.238 281 R C 2.432 178.739 176.300 0.011 0.000 1.136 281 R CA 1.535 57.645 56.100 0.018 0.000 0.959 281 R CB -0.581 29.723 30.300 0.006 0.000 0.856 281 R HN 0.338 nan 8.270 nan 0.000 0.437 282 M N -0.618 118.995 119.600 0.021 0.000 2.117 282 M HA -0.168 4.314 4.480 0.002 0.000 0.262 282 M C 1.442 177.756 176.300 0.023 0.000 1.065 282 M CA 1.762 57.075 55.300 0.022 0.000 1.114 282 M CB -0.243 32.378 32.600 0.035 0.000 1.361 282 M HN 0.213 nan 8.290 nan 0.000 0.408 283 M N 0.274 119.889 119.600 0.026 0.000 2.132 283 M HA -0.118 4.364 4.480 0.002 0.000 0.263 283 M C 2.104 178.366 176.300 -0.063 0.000 1.065 283 M CA 1.303 56.584 55.300 -0.031 0.000 1.122 283 M CB -1.226 31.302 32.600 -0.121 0.000 1.365 283 M HN 0.332 nan 8.290 nan 0.000 0.411 284 L N -0.547 120.646 121.223 -0.049 0.000 2.552 284 L HA -0.097 4.245 4.340 0.002 0.000 0.227 284 L C 0.496 177.348 176.870 -0.030 0.000 1.146 284 L CA 0.324 55.133 54.840 -0.050 0.000 0.858 284 L CB -0.404 41.632 42.059 -0.038 0.000 0.969 284 L HN 0.159 nan 8.230 nan 0.000 0.451 285 D N 0.381 120.771 120.400 -0.018 0.000 2.491 285 D HA 0.175 4.816 4.640 0.002 0.000 0.228 285 D C 1.420 177.717 176.300 -0.006 0.000 1.183 285 D CA 0.471 54.465 54.000 -0.010 0.000 0.827 285 D CB 0.582 41.378 40.800 -0.006 0.000 0.989 285 D HN 0.254 nan 8.370 nan 0.000 0.494 286 G N 0.431 109.225 108.800 -0.010 0.000 2.153 286 G HA2 -0.246 3.716 3.960 0.002 0.000 0.252 286 G HA3 -0.246 3.716 3.960 0.002 0.000 0.252 286 G C 1.105 176.019 174.900 0.022 0.000 0.994 286 G CA 0.371 45.471 45.100 0.001 0.000 0.698 286 G HN 0.836 nan 8.290 nan 0.000 0.521 287 G N -3.075 105.741 108.800 0.027 0.000 2.179 287 G HA2 0.052 4.014 3.960 0.002 0.000 0.220 287 G HA3 0.052 4.014 3.960 0.002 0.000 0.220 287 G C 0.259 175.175 174.900 0.027 0.000 0.990 287 G CA 0.345 45.472 45.100 0.044 0.000 0.646 287 G HN 1.592 nan 8.290 nan 0.000 0.517 288 V N 1.052 120.975 119.914 0.015 0.000 2.481 288 V HA 0.836 4.958 4.120 0.002 0.000 0.286 288 V C 0.700 176.793 176.094 -0.002 0.000 1.042 288 V CA 0.093 62.396 62.300 0.005 0.000 0.928 288 V CB 1.385 33.209 31.823 0.002 0.000 0.986 288 V HN 1.090 nan 8.190 nan 0.000 0.462 289 A N 5.654 128.467 122.820 -0.010 0.000 2.344 289 A HA 0.852 5.174 4.320 0.002 0.000 0.307 289 A C -2.034 175.531 177.584 -0.031 0.000 1.151 289 A CA -1.682 50.339 52.037 -0.026 0.000 0.842 289 A CB 1.099 20.076 19.000 -0.039 0.000 1.350 289 A HN 0.605 nan 8.150 nan 0.000 0.459 290 P HA -0.051 nan 4.420 nan 0.000 0.218 290 P C 1.217 178.495 177.300 -0.037 0.000 1.148 290 P CA 1.846 64.922 63.100 -0.039 0.000 0.822 290 P CB 0.188 31.859 31.700 -0.048 0.000 0.784 291 G N -1.934 106.839 108.800 -0.045 0.000 2.985 291 G HA2 0.440 4.401 3.960 0.002 0.000 0.209 291 G HA3 0.440 4.401 3.960 0.002 0.000 0.209 291 G C 0.529 175.410 174.900 -0.031 0.000 1.165 291 G CA 0.401 45.477 45.100 -0.040 0.000 0.776 291 G HN 0.585 nan 8.290 nan 0.000 0.541 292 G N -0.676 108.109 108.800 -0.025 0.000 2.353 292 G HA2 0.089 4.051 3.960 0.002 0.000 0.424 292 G HA3 0.089 4.051 3.960 0.002 0.000 0.424 292 G C -0.670 174.224 174.900 -0.009 0.000 1.320 292 G CA -0.745 44.346 45.100 -0.016 0.000 0.995 292 G HN 0.442 nan 8.290 nan 0.000 0.580 293 R N -0.286 120.213 120.500 -0.002 0.000 2.489 293 R HA 0.466 4.807 4.340 0.002 0.000 0.287 293 R C 0.934 177.240 176.300 0.010 0.000 1.053 293 R CA 0.202 56.305 56.100 0.005 0.000 1.036 293 R CB 0.824 31.130 30.300 0.009 0.000 0.966 293 R HN 0.390 nan 8.270 nan 0.000 0.432 294 V N 4.928 124.850 119.914 0.013 0.000 2.403 294 V HA 0.028 4.149 4.120 0.002 0.000 0.239 294 V C 0.501 176.585 176.094 -0.016 0.000 1.041 294 V CA 1.131 63.442 62.300 0.018 0.000 1.051 294 V CB 0.454 32.296 31.823 0.031 0.000 0.704 294 V HN 0.717 nan 8.190 nan 0.000 0.472 295 V N -2.094 117.804 119.914 -0.025 0.000 3.126 295 V HA 0.787 4.909 4.120 0.002 0.000 0.314 295 V C -0.134 175.970 176.094 0.016 0.000 1.138 295 V CA -0.501 61.749 62.300 -0.082 0.000 1.034 295 V CB 1.620 33.327 31.823 -0.192 0.000 1.075 295 V HN 0.349 nan 8.190 nan 0.000 0.442 296 S N 0.230 115.962 115.700 0.054 0.000 2.614 296 S HA 0.278 4.750 4.470 0.002 0.000 0.265 296 S C 0.792 175.465 174.600 0.122 0.000 1.303 296 S CA -0.014 58.240 58.200 0.090 0.000 1.000 296 S CB 0.812 64.076 63.200 0.106 0.000 0.935 296 S HN 0.829 nan 8.310 nan 0.000 0.551 297 E N 1.030 121.276 120.200 0.077 0.000 2.118 297 E HA -0.215 4.136 4.350 0.002 0.000 0.195 297 E C 1.461 178.101 176.600 0.067 0.000 0.992 297 E CA 1.760 58.195 56.400 0.057 0.000 0.804 297 E CB -0.502 29.216 29.700 0.031 0.000 0.741 297 E HN 0.924 nan 8.360 nan 0.000 0.458 298 D N 0.228 120.679 120.400 0.085 0.000 2.117 298 D HA -0.177 4.465 4.640 0.002 0.000 0.197 298 D C 1.699 178.054 176.300 0.093 0.000 0.987 298 D CA 1.051 55.095 54.000 0.072 0.000 0.829 298 D CB -0.167 40.683 40.800 0.083 0.000 0.961 298 D HN 0.246 nan 8.370 nan 0.000 0.460 299 W N 0.830 122.117 121.300 -0.021 0.000 2.335 299 W HA -0.212 4.450 4.660 0.002 0.000 0.311 299 W C 1.789 178.273 176.519 -0.058 0.000 1.213 299 W CA 1.152 58.483 57.345 -0.023 0.000 1.274 299 W CB -0.508 28.952 29.460 -0.001 0.000 1.148 299 W HN -0.080 nan 8.180 nan 0.000 0.498 300 V N 1.514 121.518 119.914 0.149 0.000 2.343 300 V HA -0.295 3.826 4.120 0.002 0.000 0.247 300 V C 2.605 178.615 176.094 -0.139 0.000 1.051 300 V CA 2.107 64.396 62.300 -0.017 0.000 1.036 300 V CB -0.885 30.942 31.823 0.008 0.000 0.654 300 V HN 0.138 nan 8.190 nan 0.000 0.451 301 R N -0.217 120.228 120.500 -0.092 0.000 2.081 301 R HA -0.129 4.212 4.340 0.002 0.000 0.235 301 R C 2.545 178.748 176.300 -0.161 0.000 1.131 301 R CA 1.493 57.527 56.100 -0.110 0.000 0.960 301 R CB -0.337 29.924 30.300 -0.065 0.000 0.856 301 R HN 0.491 nan 8.270 nan 0.000 0.436 302 R N 0.044 120.423 120.500 -0.202 0.000 2.092 302 R HA -0.072 4.269 4.340 0.002 0.000 0.231 302 R C 2.300 178.410 176.300 -0.318 0.000 1.119 302 R CA 1.119 57.067 56.100 -0.254 0.000 0.970 302 R CB -0.298 29.811 30.300 -0.318 0.000 0.864 302 R HN 0.059 nan 8.270 nan 0.000 0.440 303 V N 1.529 121.195 119.914 -0.413 0.000 2.307 303 V HA -0.219 3.903 4.120 0.002 0.000 0.245 303 V C 2.263 178.145 176.094 -0.354 0.000 1.045 303 V CA 1.651 63.688 62.300 -0.438 0.000 1.024 303 V CB -0.366 31.094 31.823 -0.605 0.000 0.651 303 V HN 0.289 nan 8.190 nan 0.000 0.449 304 L N 0.039 121.073 121.223 -0.315 0.000 2.191 304 L HA -0.121 4.221 4.340 0.002 0.000 0.212 304 L C 2.584 179.349 176.870 -0.176 0.000 1.103 304 L CA 1.310 55.998 54.840 -0.253 0.000 0.769 304 L CB -0.699 41.232 42.059 -0.212 0.000 0.908 304 L HN 0.374 nan 8.230 nan 0.000 0.438 305 A N -0.299 122.429 122.820 -0.154 0.000 2.014 305 A HA 0.313 4.634 4.320 0.002 0.000 0.218 305 A C 1.310 178.857 177.584 -0.060 0.000 1.163 305 A CA 0.976 52.955 52.037 -0.096 0.000 0.652 305 A CB -0.416 18.529 19.000 -0.092 0.000 0.808 305 A HN 0.483 nan 8.150 nan 0.000 0.449 306 G N -2.917 105.823 108.800 -0.099 0.000 2.661 306 G HA2 0.388 4.350 3.960 0.002 0.000 0.685 306 G HA3 0.388 4.350 3.960 0.002 0.000 0.685 306 G C 0.224 175.105 174.900 -0.032 0.000 1.298 306 G CA -0.354 44.713 45.100 -0.056 0.000 0.855 306 G HN 1.294 nan 8.290 nan 0.000 0.560 307 G N -1.128 107.674 108.800 0.002 0.000 2.568 307 G HA2 0.713 4.674 3.960 0.002 0.000 0.293 307 G HA3 0.713 4.674 3.960 0.002 0.000 0.293 307 G C 0.599 175.572 174.900 0.122 0.000 1.347 307 G CA 0.902 46.018 45.100 0.027 0.000 1.039 307 G HN 1.893 nan 8.290 nan 0.000 0.523 308 S N -1.350 114.406 115.700 0.094 0.000 2.525 308 S HA 0.049 4.521 4.470 0.002 0.000 0.285 308 S C 1.193 175.919 174.600 0.210 0.000 1.283 308 S CA -0.218 58.049 58.200 0.111 0.000 1.072 308 S CB -0.158 63.081 63.200 0.066 0.000 0.867 308 S HN 0.575 nan 8.310 nan 0.000 0.492 309 H N 3.048 122.133 119.070 0.025 0.000 2.389 309 H HA -0.048 4.510 4.556 0.002 0.000 0.299 309 H C 1.497 176.856 175.328 0.052 0.000 1.081 309 H CA 1.288 57.361 56.048 0.042 0.000 1.345 309 H CB 0.263 30.049 29.762 0.039 0.000 1.393 309 H HN 0.614 nan 8.280 nan 0.000 0.520 310 E N 0.998 121.302 120.200 0.173 0.000 2.204 310 E HA -0.079 4.273 4.350 0.002 0.000 0.194 310 E C 2.215 178.882 176.600 0.112 0.000 0.989 310 E CA 0.756 57.226 56.400 0.117 0.000 0.824 310 E CB -0.078 29.667 29.700 0.075 0.000 0.756 310 E HN 0.427 nan 8.360 nan 0.000 0.477 311 A N 0.299 123.189 122.820 0.117 0.000 2.015 311 A HA -0.036 4.286 4.320 0.002 0.000 0.219 311 A C 1.327 179.012 177.584 0.169 0.000 1.163 311 A CA 0.516 52.632 52.037 0.131 0.000 0.646 311 A CB -0.323 18.754 19.000 0.129 0.000 0.806 311 A HN 0.244 nan 8.150 nan 0.000 0.448 312 M N 2.148 121.826 119.600 0.131 0.000 2.201 312 M HA 0.228 4.709 4.480 0.002 0.000 0.345 312 M C 0.662 177.065 176.300 0.171 0.000 1.352 312 M CA 0.613 55.979 55.300 0.111 0.000 1.218 312 M CB 0.160 32.784 32.600 0.041 0.000 1.512 312 M HN 0.219 nan 8.290 nan 0.000 0.447 313 T N -0.518 114.172 114.554 0.226 0.000 3.132 313 T HA 0.222 4.573 4.350 0.002 0.000 0.274 313 T C 0.112 174.942 174.700 0.218 0.000 1.011 313 T CA -0.522 61.692 62.100 0.189 0.000 0.899 313 T CB -0.366 68.593 68.868 0.151 0.000 1.089 313 T HN 0.556 nan 8.240 nan 0.000 0.543 314 D N 2.017 122.599 120.400 0.304 0.000 2.359 314 D HA 0.211 4.852 4.640 0.002 0.000 0.250 314 D C 1.057 177.514 176.300 0.263 0.000 1.264 314 D CA -0.155 54.037 54.000 0.319 0.000 0.911 314 D CB 1.021 42.107 40.800 0.476 0.000 1.056 314 D HN 0.230 nan 8.370 nan 0.000 0.499 315 K N 2.139 122.646 120.400 0.178 0.000 2.211 315 K HA -0.035 4.286 4.320 0.002 0.000 0.203 315 K C 1.952 178.616 176.600 0.107 0.000 1.050 315 K CA 0.798 57.158 56.287 0.123 0.000 0.945 315 K CB 0.124 32.673 32.500 0.082 0.000 0.732 315 K HN 0.509 nan 8.250 nan 0.000 0.451 316 G N 0.603 109.479 108.800 0.127 0.000 2.462 316 G HA2 -0.254 3.707 3.960 0.002 0.000 0.220 316 G HA3 -0.254 3.707 3.960 0.002 0.000 0.220 316 G C 1.192 176.153 174.900 0.101 0.000 1.121 316 G CA 0.501 45.651 45.100 0.082 0.000 0.758 316 G HN 0.229 nan 8.290 nan 0.000 0.559 317 F N 1.703 121.666 119.950 0.022 0.000 2.343 317 F HA 0.078 4.606 4.527 0.003 0.000 0.286 317 F C 2.902 178.774 175.800 0.120 0.000 1.057 317 F CA 1.708 59.753 58.000 0.074 0.000 1.365 317 F CB -0.471 38.636 39.000 0.179 0.000 1.114 317 F HN 0.134 nan 8.300 nan 0.000 0.545 318 T N -1.891 112.742 114.554 0.132 0.000 3.035 318 T HA -0.083 4.268 4.350 0.002 0.000 0.268 318 T C 1.641 176.296 174.700 -0.075 0.000 1.109 318 T CA 1.078 63.184 62.100 0.011 0.000 1.119 318 T CB -0.548 68.377 68.868 0.095 0.000 0.900 318 T HN 0.110 nan 8.240 nan 0.000 0.503 319 N N 1.433 120.088 118.700 -0.075 0.000 2.223 319 N HA -0.041 4.701 4.740 0.002 0.000 0.185 319 N C 1.833 177.210 175.510 -0.222 0.000 1.016 319 N CA 1.665 54.649 53.050 -0.109 0.000 0.863 319 N CB -0.578 37.862 38.487 -0.077 0.000 0.983 319 N HN 0.519 nan 8.380 nan 0.000 0.429 320 T N -0.842 113.480 114.554 -0.388 0.000 3.010 320 T HA 0.164 4.515 4.350 0.002 0.000 0.252 320 T C -0.032 174.134 174.700 -0.889 0.000 1.047 320 T CA 0.485 62.156 62.100 -0.715 0.000 1.140 320 T CB 0.121 68.352 68.868 -1.062 0.000 0.885 320 T HN 0.031 nan 8.240 nan 0.000 0.464 321 F N 1.960 121.696 119.950 -0.357 0.000 2.550 321 F HA 0.366 4.894 4.527 0.002 0.000 0.348 321 F C -1.895 173.735 175.800 -0.283 0.000 1.219 321 F CA -3.056 54.709 58.000 -0.390 0.000 1.203 321 F CB 1.322 39.872 39.000 -0.750 0.000 1.436 321 F HN -0.087 nan 8.300 nan 0.000 0.541 322 P HA -0.181 nan 4.420 nan 0.000 0.217 322 P C 0.369 177.665 177.300 -0.006 0.000 1.148 322 P CA 1.598 64.687 63.100 -0.018 0.000 0.828 322 P CB 0.465 32.157 31.700 -0.013 0.000 0.783 323 D N -0.520 119.862 120.400 -0.030 0.000 2.427 323 D HA 0.180 4.822 4.640 0.002 0.000 0.224 323 D C 1.235 177.328 176.300 -0.345 0.000 1.157 323 D CA 0.045 53.971 54.000 -0.123 0.000 0.828 323 D CB 0.118 40.908 40.800 -0.017 0.000 0.974 323 D HN 0.113 nan 8.370 nan 0.000 0.498 324 G N 0.468 109.184 108.800 -0.140 0.000 2.599 324 G HA2 0.461 4.423 3.960 0.002 0.000 0.264 324 G HA3 0.461 4.423 3.960 0.002 0.000 0.264 324 G C 0.193 175.107 174.900 0.023 0.000 1.200 324 G CA -0.054 45.051 45.100 0.008 0.000 0.896 324 G HN 0.199 nan 8.290 nan 0.000 0.536 325 S N -1.607 114.186 115.700 0.155 0.000 2.703 325 S HA 0.595 5.066 4.470 0.002 0.000 0.273 325 S C -1.683 172.863 174.600 -0.090 0.000 1.178 325 S CA -0.888 57.307 58.200 -0.008 0.000 0.838 325 S CB 1.429 64.622 63.200 -0.013 0.000 1.178 325 S HN 1.138 nan 8.310 nan 0.000 0.494 326 Y N 0.177 120.255 120.300 -0.370 0.000 2.433 326 Y HA 0.652 5.204 4.550 0.003 0.000 0.337 326 Y C -0.902 174.856 175.900 -0.236 0.000 1.026 326 Y CA -0.015 57.796 58.100 -0.481 0.000 1.037 326 Y CB 2.193 40.048 38.460 -1.008 0.000 1.245 326 Y HN 1.110 nan 8.280 nan 0.000 0.443 327 T N 5.625 119.968 114.554 -0.352 0.000 2.956 327 T HA 0.395 4.747 4.350 0.002 0.000 0.312 327 T C -0.845 173.705 174.700 -0.250 0.000 1.151 327 T CA -0.580 61.411 62.100 -0.182 0.000 1.024 327 T CB 0.902 69.672 68.868 -0.165 0.000 1.140 327 T HN 0.843 nan 8.240 nan 0.000 0.473 328 R N 3.309 123.749 120.500 -0.100 0.000 3.416 328 R HA -0.164 4.177 4.340 0.002 0.000 0.263 328 R C 0.012 176.357 176.300 0.076 0.000 1.053 328 R CA 0.833 56.936 56.100 0.004 0.000 0.705 328 R CB -1.460 28.710 30.300 -0.217 0.000 1.124 328 R HN 0.796 nan 8.270 nan 0.000 0.444 329 Q N -4.462 115.252 119.800 -0.143 0.000 2.493 329 Q HA -0.229 4.112 4.340 0.002 0.000 0.260 329 Q C -0.860 174.794 176.000 -0.577 0.000 0.905 329 Q CA 2.005 57.669 55.803 -0.231 0.000 1.140 329 Q CB -1.653 27.049 28.738 -0.060 0.000 1.435 329 Q HN 0.612 nan 8.270 nan 0.000 0.581 330 W N -0.276 120.549 121.300 -0.792 0.000 2.736 330 W HA 0.575 5.237 4.660 0.003 0.000 0.335 330 W C -0.187 175.821 176.519 -0.852 0.000 1.059 330 W CA -0.642 56.374 57.345 -0.548 0.000 1.226 330 W CB 0.720 30.000 29.460 -0.301 0.000 1.416 330 W HN 0.045 nan 8.180 nan 0.000 0.505 331 W N 2.117 123.315 121.300 -0.170 0.000 2.316 331 W HA 0.493 5.154 4.660 0.002 0.000 0.311 331 W C -0.640 175.817 176.519 -0.103 0.000 1.217 331 W CA -0.323 56.894 57.345 -0.213 0.000 1.199 331 W CB 0.822 30.154 29.460 -0.213 0.000 1.202 331 W HN -0.004 nan 8.180 nan 0.000 0.528 332 C N 2.712 122.087 119.300 0.125 0.000 2.301 332 C HA 0.234 4.696 4.460 0.002 0.000 0.323 332 C C 1.771 176.819 174.990 0.098 0.000 1.265 332 C CA -0.544 58.490 59.018 0.028 0.000 1.503 332 C CB 0.342 28.046 27.740 -0.059 0.000 2.195 332 C HN 0.870 nan 8.230 nan 0.000 0.477 333 T N -0.640 113.811 114.554 -0.171 0.000 2.867 333 T HA 0.074 4.425 4.350 0.002 0.000 0.268 333 T C 1.699 176.272 174.700 -0.212 0.000 1.057 333 T CA 1.379 63.172 62.100 -0.511 0.000 1.136 333 T CB -0.363 67.967 68.868 -0.897 0.000 0.874 333 T HN 1.751 nan 8.240 nan 0.000 0.466 334 G N 2.729 111.443 108.800 -0.142 0.000 2.187 334 G HA2 -0.329 3.633 3.960 0.002 0.000 0.261 334 G HA3 -0.329 3.633 3.960 0.002 0.000 0.261 334 G C 0.012 174.897 174.900 -0.026 0.000 1.000 334 G CA 0.384 45.431 45.100 -0.088 0.000 0.718 334 G HN 1.083 nan 8.290 nan 0.000 0.519 335 N N 0.027 118.718 118.700 -0.016 0.000 2.327 335 N HA 0.293 5.034 4.740 0.002 0.000 0.257 335 N C 1.433 176.962 175.510 0.031 0.000 1.281 335 N CA 0.034 53.120 53.050 0.059 0.000 0.942 335 N CB 0.171 38.749 38.487 0.151 0.000 1.199 335 N HN 0.548 nan 8.380 nan 0.000 0.532 336 E N -0.558 119.672 120.200 0.049 0.000 2.265 336 E HA -0.186 4.166 4.350 0.002 0.000 0.196 336 E C 0.963 177.577 176.600 0.023 0.000 0.996 336 E CA 0.905 57.325 56.400 0.034 0.000 0.832 336 E CB -0.218 29.506 29.700 0.040 0.000 0.756 336 E HN 0.550 nan 8.360 nan 0.000 0.491 337 R N 0.102 120.619 120.500 0.028 0.000 2.297 337 R HA 0.107 4.448 4.340 0.002 0.000 0.197 337 R C 1.161 177.436 176.300 -0.042 0.000 0.943 337 R CA 0.452 56.560 56.100 0.013 0.000 1.038 337 R CB 0.281 30.615 30.300 0.058 0.000 0.957 337 R HN 0.355 nan 8.270 nan 0.000 0.484 338 G N 1.945 110.706 108.800 -0.065 0.000 2.198 338 G HA2 -0.324 3.637 3.960 0.002 0.000 0.260 338 G HA3 -0.324 3.637 3.960 0.002 0.000 0.260 338 G C -0.493 174.282 174.900 -0.209 0.000 1.025 338 G CA 0.161 45.192 45.100 -0.115 0.000 0.769 338 G HN 0.417 nan 8.290 nan 0.000 0.507 339 N N -0.461 118.074 118.700 -0.275 0.000 2.412 339 N HA 0.404 5.146 4.740 0.002 0.000 0.254 339 N C 0.394 175.566 175.510 -0.563 0.000 1.232 339 N CA 0.799 53.516 53.050 -0.555 0.000 0.880 339 N CB 1.199 39.188 38.487 -0.829 0.000 1.076 339 N HN 0.799 nan 8.380 nan 0.000 0.458 340 V N -1.310 118.261 119.914 -0.572 0.000 2.962 340 V HA 0.860 4.982 4.120 0.002 0.000 0.313 340 V C -0.332 175.623 176.094 -0.231 0.000 1.099 340 V CA -0.736 61.362 62.300 -0.337 0.000 0.971 340 V CB 1.992 33.641 31.823 -0.289 0.000 1.028 340 V HN 0.556 nan 8.190 nan 0.000 0.430 341 S N 1.187 116.971 115.700 0.139 0.000 2.533 341 S HA 0.762 5.234 4.470 0.002 0.000 0.271 341 S C -0.076 174.825 174.600 0.501 0.000 1.143 341 S CA 0.084 58.494 58.200 0.350 0.000 0.891 341 S CB 1.533 64.939 63.200 0.345 0.000 1.105 341 S HN 1.887 nan 8.310 nan 0.000 0.468 342 G N 2.737 111.756 108.800 0.366 0.000 2.432 342 G HA2 0.603 4.564 3.960 0.002 0.000 0.257 342 G HA3 0.603 4.564 3.960 0.002 0.000 0.257 342 G C -0.755 174.278 174.900 0.220 0.000 1.238 342 G CA -0.305 44.854 45.100 0.097 0.000 0.838 342 G HN 0.727 nan 8.290 nan 0.000 0.547 343 I N 0.923 121.641 120.570 0.247 0.000 2.619 343 I HA 0.578 4.749 4.170 0.002 0.000 0.292 343 I C 0.364 176.579 176.117 0.165 0.000 1.100 343 I CA -0.796 60.595 61.300 0.152 0.000 1.043 343 I CB 2.635 40.596 38.000 -0.064 0.000 1.239 343 I HN 0.657 nan 8.210 nan 0.000 0.420 344 G N 5.283 114.137 108.800 0.091 0.000 2.563 344 G HA2 0.702 4.663 3.960 0.002 0.000 0.302 344 G HA3 0.702 4.663 3.960 0.002 0.000 0.302 344 G C -0.519 174.382 174.900 0.001 0.000 1.301 344 G CA -0.850 44.313 45.100 0.104 0.000 0.965 344 G HN 0.724 nan 8.290 nan 0.000 0.480 345 I N -1.208 119.405 120.570 0.072 0.000 2.993 345 I HA 0.179 4.350 4.170 0.002 0.000 0.286 345 I C 0.770 176.792 176.117 -0.157 0.000 1.215 345 I CA -0.035 61.248 61.300 -0.028 0.000 1.393 345 I CB 0.151 38.215 38.000 0.106 0.000 1.371 345 I HN 0.808 nan 8.210 nan 0.000 0.602 346 H N 2.418 121.230 119.070 -0.429 0.000 3.080 346 H HA -0.153 4.405 4.556 0.002 0.000 0.254 346 H C 1.013 175.392 175.328 -1.581 0.000 1.179 346 H CA 0.956 56.591 56.048 -0.688 0.000 1.144 346 H CB -1.748 27.845 29.762 -0.281 0.000 1.261 346 H HN 1.431 nan 8.280 nan 0.000 0.333 347 G N 0.565 108.208 108.800 -1.928 0.000 2.215 347 G HA2 -0.206 3.756 3.960 0.002 0.000 0.198 347 G HA3 -0.206 3.756 3.960 0.002 0.000 0.198 347 G C -0.257 174.278 174.900 -0.608 0.000 1.047 347 G CA 0.048 44.100 45.100 -1.746 0.000 0.747 347 G HN 0.315 nan 8.290 nan 0.000 0.495 348 Q N 0.174 119.754 119.800 -0.367 0.000 2.278 348 Q HA 0.621 4.963 4.340 0.002 0.000 0.257 348 Q C -0.160 175.829 176.000 -0.018 0.000 0.928 348 Q CA -0.363 55.357 55.803 -0.138 0.000 0.932 348 Q CB 1.346 30.057 28.738 -0.045 0.000 1.221 348 Q HN 0.486 nan 8.270 nan 0.000 0.434 349 N N 1.381 120.110 118.700 0.049 0.000 2.310 349 N HA 0.396 5.137 4.740 0.002 0.000 0.292 349 N C -1.530 174.097 175.510 0.195 0.000 1.049 349 N CA -0.643 52.508 53.050 0.168 0.000 0.849 349 N CB 1.719 40.348 38.487 0.236 0.000 1.532 349 N HN 0.314 nan 8.380 nan 0.000 0.479 350 L N 3.000 124.369 121.223 0.244 0.000 2.297 350 L HA 0.489 4.830 4.340 0.002 0.000 0.277 350 L C -1.396 175.723 176.870 0.416 0.000 1.040 350 L CA -0.606 54.406 54.840 0.286 0.000 0.867 350 L CB 0.047 42.256 42.059 0.250 0.000 1.244 350 L HN 0.610 nan 8.230 nan 0.000 0.433 351 W N 7.859 129.258 121.300 0.165 0.000 2.429 351 W HA 0.471 5.133 4.660 0.002 0.000 0.314 351 W C -1.854 174.732 176.519 0.111 0.000 1.062 351 W CA -0.932 56.504 57.345 0.151 0.000 1.211 351 W CB 1.425 30.957 29.460 0.120 0.000 1.305 351 W HN 0.347 nan 8.180 nan 0.000 0.476 352 L N 5.786 126.892 121.223 -0.195 0.000 2.307 352 L HA 0.218 4.559 4.340 0.002 0.000 0.284 352 L C -0.434 176.249 176.870 -0.312 0.000 1.023 352 L CA -0.318 54.417 54.840 -0.175 0.000 0.810 352 L CB 1.505 43.434 42.059 -0.217 0.000 1.231 352 L HN 0.352 nan 8.230 nan 0.000 0.423 353 D N 4.239 124.594 120.400 -0.075 0.000 2.456 353 D HA 0.249 4.891 4.640 0.002 0.000 0.287 353 D C -1.496 174.791 176.300 -0.022 0.000 1.186 353 D CA -1.670 52.319 54.000 -0.020 0.000 0.916 353 D CB 1.201 42.102 40.800 0.168 0.000 1.029 353 D HN 0.166 nan 8.370 nan 0.000 0.498 354 P HA -0.209 nan 4.420 nan 0.000 0.217 354 P C 1.705 178.988 177.300 -0.027 0.000 1.148 354 P CA 0.344 63.408 63.100 -0.059 0.000 0.828 354 P CB 0.500 32.145 31.700 -0.091 0.000 0.783 355 L N 0.497 121.711 121.223 -0.016 0.000 2.013 355 L HA -0.140 4.201 4.340 0.002 0.000 0.212 355 L C 2.189 179.067 176.870 0.013 0.000 1.073 355 L CA 2.746 57.587 54.840 0.002 0.000 0.753 355 L CB -1.820 40.249 42.059 0.017 0.000 0.890 355 L HN 0.154 nan 8.230 nan 0.000 0.432 356 T N -5.393 109.177 114.554 0.026 0.000 3.134 356 T HA 0.159 4.510 4.350 0.002 0.000 0.260 356 T C 0.729 175.444 174.700 0.025 0.000 1.027 356 T CA 0.323 62.441 62.100 0.032 0.000 0.913 356 T CB -0.169 68.729 68.868 0.051 0.000 1.046 356 T HN 0.286 nan 8.240 nan 0.000 0.553 357 D N 0.530 120.938 120.400 0.013 0.000 2.772 357 D HA -0.156 4.486 4.640 0.002 0.000 0.233 357 D C -0.667 175.643 176.300 0.018 0.000 1.143 357 D CA 0.573 54.577 54.000 0.006 0.000 0.700 357 D CB -1.460 39.342 40.800 0.004 0.000 1.076 357 D HN 0.546 nan 8.370 nan 0.000 0.430 358 S N -1.199 114.522 115.700 0.034 0.000 2.568 358 S HA 0.792 5.264 4.470 0.002 0.000 0.302 358 S C -0.283 174.361 174.600 0.074 0.000 1.082 358 S CA -0.748 57.484 58.200 0.053 0.000 1.009 358 S CB 2.627 65.870 63.200 0.071 0.000 1.069 358 S HN 0.100 nan 8.310 nan 0.000 0.500 359 V N 2.690 122.648 119.914 0.074 0.000 2.540 359 V HA 0.535 4.657 4.120 0.002 0.000 0.302 359 V C -0.755 175.394 176.094 0.092 0.000 1.035 359 V CA -0.565 61.798 62.300 0.105 0.000 0.873 359 V CB 1.454 33.325 31.823 0.080 0.000 0.992 359 V HN 0.755 nan 8.190 nan 0.000 0.428 360 I N 4.462 125.136 120.570 0.173 0.000 2.389 360 I HA 0.469 4.640 4.170 0.002 0.000 0.288 360 I C -0.623 175.523 176.117 0.049 0.000 0.999 360 I CA -0.796 60.523 61.300 0.032 0.000 1.129 360 I CB 1.999 40.024 38.000 0.041 0.000 1.288 360 I HN 0.264 nan 8.210 nan 0.000 0.444 361 V N 6.716 126.574 119.914 -0.092 0.000 2.394 361 V HA 0.373 4.495 4.120 0.002 0.000 0.282 361 V C -0.074 175.978 176.094 -0.070 0.000 1.031 361 V CA -0.564 61.719 62.300 -0.027 0.000 0.881 361 V CB 1.657 33.478 31.823 -0.004 0.000 0.982 361 V HN 0.627 nan 8.190 nan 0.000 0.451 362 K N 5.583 126.002 120.400 0.032 0.000 2.545 362 K HA 0.665 4.986 4.320 0.002 0.000 0.252 362 K C -1.684 174.880 176.600 -0.059 0.000 0.948 362 K CA -0.568 55.766 56.287 0.079 0.000 0.827 362 K CB 1.315 33.925 32.500 0.182 0.000 1.128 362 K HN 0.610 nan 8.250 nan 0.000 0.429 363 L N 2.987 124.099 121.223 -0.185 0.000 2.333 363 L HA 0.533 4.874 4.340 0.002 0.000 0.280 363 L C -0.624 175.945 176.870 -0.501 0.000 1.004 363 L CA -0.607 53.938 54.840 -0.492 0.000 0.820 363 L CB 2.038 43.610 42.059 -0.811 0.000 1.247 363 L HN 0.654 nan 8.230 nan 0.000 0.416 364 S N 0.254 115.733 115.700 -0.367 0.000 2.732 364 S HA 0.625 5.096 4.470 0.002 0.000 0.293 364 S C -0.579 174.002 174.600 -0.032 0.000 1.159 364 S CA -0.765 57.344 58.200 -0.152 0.000 0.847 364 S CB 2.121 65.199 63.200 -0.204 0.000 1.169 364 S HN 0.586 nan 8.310 nan 0.000 0.501 365 S N 0.223 115.933 115.700 0.016 0.000 2.359 365 S HA 0.317 4.788 4.470 0.002 0.000 0.148 365 S C -0.892 173.669 174.600 -0.065 0.000 1.610 365 S CA -0.805 57.383 58.200 -0.021 0.000 1.274 365 S CB -0.319 62.891 63.200 0.017 0.000 1.380 365 S HN 0.585 nan 8.310 nan 0.000 0.380 366 W N 2.420 123.522 121.300 -0.330 0.000 2.274 366 W HA 0.230 4.891 4.660 0.002 0.000 0.345 366 W C -1.952 174.219 176.519 -0.580 0.000 1.265 366 W CA -1.858 54.965 57.345 -0.869 0.000 1.293 366 W CB -0.682 28.142 29.460 -1.060 0.000 1.175 366 W HN 0.300 nan 8.180 nan 0.000 0.577 367 P HA -0.139 nan 4.420 nan 0.000 0.218 367 P C -0.056 177.329 177.300 0.140 0.000 1.149 367 P CA 1.719 64.718 63.100 -0.169 0.000 0.817 367 P CB 0.335 31.952 31.700 -0.138 0.000 0.785 368 D N -1.406 119.106 120.400 0.186 0.000 2.198 368 D HA 0.135 4.777 4.640 0.002 0.000 0.247 368 D C -1.644 174.638 176.300 -0.030 0.000 1.010 368 D CA -1.853 52.287 54.000 0.232 0.000 0.880 368 D CB 1.657 42.705 40.800 0.412 0.000 1.209 368 D HN -0.003 nan 8.370 nan 0.000 0.451 369 P HA -0.100 nan 4.420 nan 0.000 0.216 369 P C 0.158 177.450 177.300 -0.014 0.000 1.153 369 P CA 1.370 64.046 63.100 -0.706 0.000 0.844 369 P CB 0.583 32.111 31.700 -0.287 0.000 0.787 370 D N -0.481 120.049 120.400 0.218 0.000 2.634 370 D HA 0.130 4.771 4.640 0.002 0.000 0.236 370 D C -1.103 175.398 176.300 0.336 0.000 1.323 370 D CA -0.246 53.977 54.000 0.372 0.000 0.884 370 D CB -0.043 40.943 40.800 0.310 0.000 1.496 370 D HN -0.003 nan 8.370 nan 0.000 0.525 371 T N -1.071 113.679 114.554 0.327 0.000 2.908 371 T HA 0.455 4.807 4.350 0.002 0.000 0.290 371 T C 1.219 176.025 174.700 0.177 0.000 1.034 371 T CA -0.666 61.550 62.100 0.193 0.000 1.010 371 T CB 1.988 70.900 68.868 0.073 0.000 1.068 371 T HN 0.056 nan 8.240 nan 0.000 0.481 372 E N 0.085 120.348 120.200 0.105 0.000 2.130 372 E HA -0.277 4.074 4.350 0.002 0.000 0.196 372 E C 1.651 178.228 176.600 -0.038 0.000 0.998 372 E CA 1.737 58.173 56.400 0.060 0.000 0.806 372 E CB -0.322 29.384 29.700 0.010 0.000 0.738 372 E HN 0.865 nan 8.360 nan 0.000 0.459 373 H N -0.454 118.465 119.070 -0.253 0.000 2.319 373 H HA -0.173 4.385 4.556 0.002 0.000 0.299 373 H C 1.615 176.628 175.328 -0.524 0.000 1.092 373 H CA 2.098 57.877 56.048 -0.449 0.000 1.302 373 H CB -0.356 28.994 29.762 -0.688 0.000 1.373 373 H HN 0.220 nan 8.280 nan 0.000 0.497 374 W N -0.321 120.601 121.300 -0.629 0.000 2.418 374 W HA -0.084 4.578 4.660 0.002 0.000 0.292 374 W C 2.666 178.615 176.519 -0.950 0.000 1.213 374 W CA 0.636 57.255 57.345 -1.210 0.000 1.283 374 W CB -0.107 28.056 29.460 -2.161 0.000 1.119 374 W HN 0.320 nan 8.180 nan 0.000 0.542 375 H N 0.183 119.101 119.070 -0.252 0.000 2.353 375 H HA -0.121 4.436 4.556 0.002 0.000 0.300 375 H C 2.168 177.470 175.328 -0.044 0.000 1.090 375 H CA 1.850 57.913 56.048 0.025 0.000 1.327 375 H CB -0.371 29.452 29.762 0.101 0.000 1.383 375 H HN 0.198 nan 8.280 nan 0.000 0.508 376 R N 0.807 121.289 120.500 -0.029 0.000 2.080 376 R HA -0.113 4.229 4.340 0.002 0.000 0.236 376 R C 2.471 178.702 176.300 -0.114 0.000 1.137 376 R CA 1.194 57.239 56.100 -0.092 0.000 0.943 376 R CB -0.270 29.944 30.300 -0.143 0.000 0.846 376 R HN 0.206 nan 8.270 nan 0.000 0.431 377 L N 0.315 121.419 121.223 -0.198 0.000 2.046 377 L HA -0.194 4.147 4.340 0.002 0.000 0.208 377 L C 2.821 179.652 176.870 -0.064 0.000 1.077 377 L CA 1.619 56.364 54.840 -0.158 0.000 0.747 377 L CB -0.462 41.469 42.059 -0.213 0.000 0.896 377 L HN 0.353 nan 8.230 nan 0.000 0.432 378 Q N 0.218 120.020 119.800 0.004 0.000 2.046 378 Q HA -0.181 4.161 4.340 0.002 0.000 0.200 378 Q C 2.028 178.049 176.000 0.034 0.000 0.975 378 Q CA 1.602 57.471 55.803 0.110 0.000 0.836 378 Q CB 0.060 29.018 28.738 0.367 0.000 0.896 378 Q HN 0.367 nan 8.270 nan 0.000 0.428 379 N N -0.387 118.353 118.700 0.066 0.000 2.244 379 N HA -0.086 4.656 4.740 0.002 0.000 0.183 379 N C 1.579 177.058 175.510 -0.051 0.000 1.016 379 N CA 1.199 54.269 53.050 0.033 0.000 0.866 379 N CB -0.482 38.103 38.487 0.163 0.000 0.980 379 N HN 0.439 nan 8.380 nan 0.000 0.430 380 G N 1.286 110.055 108.800 -0.052 0.000 2.418 380 G HA2 -0.168 3.793 3.960 0.002 0.000 0.217 380 G HA3 -0.168 3.793 3.960 0.002 0.000 0.217 380 G C 1.677 176.524 174.900 -0.088 0.000 1.158 380 G CA 0.369 45.430 45.100 -0.065 0.000 0.771 380 G HN 0.258 nan 8.290 nan 0.000 0.545 381 I N 0.323 120.828 120.570 -0.108 0.000 2.202 381 I HA -0.109 4.062 4.170 0.002 0.000 0.242 381 I C 2.716 178.736 176.117 -0.161 0.000 1.091 381 I CA 0.668 61.888 61.300 -0.132 0.000 1.368 381 I CB -0.226 37.684 38.000 -0.151 0.000 1.058 381 I HN 0.116 nan 8.210 nan 0.000 0.410 382 L N 0.105 121.158 121.223 -0.283 0.000 2.046 382 L HA -0.225 4.116 4.340 0.002 0.000 0.208 382 L C 2.512 179.106 176.870 -0.460 0.000 1.077 382 L CA 1.371 55.855 54.840 -0.593 0.000 0.747 382 L CB -0.541 40.751 42.059 -1.279 0.000 0.896 382 L HN 0.270 nan 8.230 nan 0.000 0.432 383 L N -0.729 120.344 121.223 -0.250 0.000 2.072 383 L HA -0.181 4.160 4.340 0.002 0.000 0.205 383 L C 2.240 179.128 176.870 0.029 0.000 1.079 383 L CA 0.937 55.789 54.840 0.019 0.000 0.752 383 L CB -0.548 41.571 42.059 0.099 0.000 0.906 383 L HN 0.222 nan 8.230 nan 0.000 0.436 384 D N -0.285 120.104 120.400 -0.018 0.000 2.117 384 D HA -0.151 4.491 4.640 0.002 0.000 0.197 384 D C 2.328 178.636 176.300 0.014 0.000 0.987 384 D CA 1.120 55.117 54.000 -0.005 0.000 0.829 384 D CB -0.167 40.614 40.800 -0.033 0.000 0.961 384 D HN 0.065 nan 8.370 nan 0.000 0.460 385 V N 0.646 120.566 119.914 0.009 0.000 2.358 385 V HA -0.199 3.923 4.120 0.002 0.000 0.246 385 V C 2.468 178.611 176.094 0.081 0.000 1.047 385 V CA 1.540 63.876 62.300 0.059 0.000 1.035 385 V CB -0.478 31.420 31.823 0.124 0.000 0.658 385 V HN 0.134 nan 8.190 nan 0.000 0.452 386 S N -0.336 115.424 115.700 0.099 0.000 2.359 386 S HA -0.202 4.269 4.470 0.002 0.000 0.224 386 S C 2.106 176.781 174.600 0.125 0.000 1.035 386 S CA 1.546 59.849 58.200 0.173 0.000 1.018 386 S CB -0.310 63.083 63.200 0.321 0.000 0.876 386 S HN 0.536 nan 8.310 nan 0.000 0.448 387 R N 1.014 121.575 120.500 0.101 0.000 2.115 387 R HA 0.087 4.429 4.340 0.002 0.000 0.230 387 R C 2.478 178.812 176.300 0.057 0.000 1.111 387 R CA 0.988 57.133 56.100 0.075 0.000 0.976 387 R CB -0.419 29.919 30.300 0.063 0.000 0.870 387 R HN 0.391 nan 8.270 nan 0.000 0.445 388 A N 0.990 123.842 122.820 0.052 0.000 2.070 388 A HA -0.099 4.223 4.320 0.002 0.000 0.220 388 A C 1.945 179.557 177.584 0.047 0.000 1.159 388 A CA 1.075 53.138 52.037 0.043 0.000 0.656 388 A CB -0.329 18.695 19.000 0.040 0.000 0.800 388 A HN 0.197 nan 8.150 nan 0.000 0.453 389 L N -0.433 120.825 121.223 0.058 0.000 2.509 389 L HA 0.042 4.383 4.340 0.002 0.000 0.222 389 L C -0.117 176.780 176.870 0.046 0.000 1.123 389 L CA -0.322 54.550 54.840 0.054 0.000 0.856 389 L CB -0.322 41.777 42.059 0.067 0.000 0.985 389 L HN 0.153 nan 8.230 nan 0.000 0.456 390 D N 1.492 121.920 120.400 0.046 0.000 2.443 390 D HA 0.178 4.819 4.640 0.002 0.000 0.239 390 D C 0.422 176.740 176.300 0.030 0.000 1.136 390 D CA 0.233 54.256 54.000 0.038 0.000 0.879 390 D CB 1.039 41.862 40.800 0.038 0.000 1.195 390 D HN 0.077 nan 8.370 nan 0.000 0.443 391 A N 1.652 124.487 122.820 0.025 0.000 2.498 391 A HA 0.355 4.676 4.320 0.002 0.000 0.239 391 A C 0.142 177.737 177.584 0.019 0.000 1.068 391 A CA -0.080 51.969 52.037 0.020 0.000 0.766 391 A CB 0.551 19.561 19.000 0.017 0.000 1.003 391 A HN 0.359 nan 8.150 nan 0.000 0.497 392 V N 0.000 119.924 119.914 0.016 0.000 2.409 392 V HA 0.000 4.121 4.120 0.002 0.000 0.244 392 V CA 0.000 62.309 62.300 0.015 0.000 1.235 392 V CB 0.000 31.832 31.823 0.015 0.000 1.184 392 V HN 0.000 nan 8.190 nan 0.000 0.556