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 3mpq_1_A DATA FIRST_RESID 4 DATA SEQUENCE KREHWATRLG LILAMAGNAV GLGNFLRFPV QAAENGGGAF MIPYIIAFLL DATA SEQUENCE VGIPLMWIEW AMGRYGGAQG HGTTPAIFYL LWRNRFAKIL GVFGLWIPLV DATA SEQUENCE VAIYYVYIES WTLGFAIKFL VGLVPEPXXX XXDPDSILRP FKEFLYSYIG DATA SEQUENCE VPKGDEPILK PSLFAYIVFL ITMFINVSIL IRGISKGIER FAKIAMPTLF DATA SEQUENCE XLAVFLVIRV FLLETPNGTA ADGLNFLWTP DFEKLKDPGV WIAAVGQIFF DATA SEQUENCE TLSLGFGAII TYASYVRKDQ DIVLSGLTAA TLNEKAEVIL GGSISIPAAV DATA SEQUENCE AFFGVANAVA IAKAGAFNLG FITLPAIFSQ TAGGTFLGFL WFFLLFFAGL DATA SEQUENCE TSSIAIMQPM IAFLEDELKL SRKHAVLWTA AIVFFSAHLV MFLNKSLDEM DATA SEQUENCE DFWAGTIGVV FFGLTELIIF FWIFGADKAW EEINRGGIIK VPRIYYYVMR DATA SEQUENCE YITPAFLAVL LVVXXXXXXX XXXXXTHWTV WITRFYIIGL FLFLTFLVFL DATA SEQUENCE AERRRNH 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 4 K HA 0.000 nan 4.320 nan 0.000 0.191 4 K C 0.000 176.554 176.600 -0.077 0.000 0.988 4 K CA 0.000 56.261 56.287 -0.044 0.000 0.838 4 K CB 0.000 32.486 32.500 -0.024 0.000 1.064 5 R N 0.825 121.265 120.500 -0.101 0.000 2.629 5 R HA 0.268 4.612 4.340 0.006 0.000 0.266 5 R C -1.339 174.740 176.300 -0.367 0.000 1.051 5 R CA -0.610 55.357 56.100 -0.222 0.000 0.895 5 R CB 1.693 31.830 30.300 -0.272 0.000 1.246 5 R HN 0.227 nan 8.270 nan 0.000 0.459 6 E N 2.170 122.174 120.200 -0.326 0.000 2.398 6 E HA 0.062 4.416 4.350 0.006 0.000 0.263 6 E C -0.695 175.549 176.600 -0.593 0.000 1.046 6 E CA 0.318 56.476 56.400 -0.404 0.000 0.908 6 E CB 0.587 29.981 29.700 -0.510 0.000 0.963 6 E HN 0.344 nan 8.360 nan 0.000 0.431 7 H N 0.973 119.927 119.070 -0.193 0.000 2.806 7 H HA 0.134 4.693 4.556 0.006 0.000 0.367 7 H C -0.789 174.406 175.328 -0.222 0.000 1.136 7 H CA -0.815 55.146 56.048 -0.145 0.000 1.178 7 H CB 0.576 30.332 29.762 -0.010 0.000 1.718 7 H HN 0.480 nan 8.280 nan 0.000 0.540 8 W N 1.340 122.720 121.300 0.133 0.000 2.257 8 W HA 0.207 4.871 4.660 0.007 0.000 0.337 8 W C 1.266 177.816 176.519 0.051 0.000 1.321 8 W CA 0.027 57.396 57.345 0.040 0.000 1.267 8 W CB 0.456 29.943 29.460 0.044 0.000 1.187 8 W HN 0.743 nan 8.180 nan 0.000 0.565 9 A N 2.313 125.281 122.820 0.246 0.000 1.930 9 A HA 0.057 4.381 4.320 0.006 0.000 0.215 9 A C 0.972 178.635 177.584 0.132 0.000 1.176 9 A CA 1.587 53.708 52.037 0.139 0.000 0.632 9 A CB -0.504 18.546 19.000 0.084 0.000 0.819 9 A HN 0.557 nan 8.150 nan 0.000 0.445 10 T N -5.003 109.640 114.554 0.148 0.000 2.896 10 T HA 0.539 4.893 4.350 0.006 0.000 0.297 10 T C 0.272 175.020 174.700 0.080 0.000 1.108 10 T CA -0.430 61.725 62.100 0.092 0.000 1.004 10 T CB 1.918 70.821 68.868 0.057 0.000 1.159 10 T HN 0.090 nan 8.240 nan 0.000 0.499 11 R N 0.394 120.923 120.500 0.049 0.000 2.075 11 R HA 0.079 4.422 4.340 0.006 0.000 0.232 11 R C 2.052 178.346 176.300 -0.009 0.000 1.126 11 R CA 1.599 57.714 56.100 0.025 0.000 0.963 11 R CB -1.216 29.097 30.300 0.021 0.000 0.858 11 R HN 0.626 nan 8.270 nan 0.000 0.435 12 L N -0.052 121.167 121.223 -0.007 0.000 2.046 12 L HA 0.104 4.448 4.340 0.006 0.000 0.208 12 L C 2.061 178.905 176.870 -0.043 0.000 1.077 12 L CA 2.398 57.224 54.840 -0.024 0.000 0.747 12 L CB -1.170 40.879 42.059 -0.016 0.000 0.896 12 L HN 0.294 nan 8.230 nan 0.000 0.432 13 G N -0.367 108.420 108.800 -0.023 0.000 2.418 13 G HA2 -0.273 3.691 3.960 0.006 0.000 0.217 13 G HA3 -0.273 3.691 3.960 0.006 0.000 0.217 13 G C 1.562 176.358 174.900 -0.173 0.000 1.158 13 G CA 0.893 45.975 45.100 -0.030 0.000 0.771 13 G HN 0.428 nan 8.290 nan 0.000 0.545 14 L N 0.942 122.016 121.223 -0.249 0.000 1.978 14 L HA -0.129 4.215 4.340 0.006 0.000 0.218 14 L C 2.531 179.139 176.870 -0.438 0.000 1.075 14 L CA 1.726 56.175 54.840 -0.652 0.000 0.767 14 L CB -0.525 41.301 42.059 -0.388 0.000 0.890 14 L HN 0.136 nan 8.230 nan 0.000 0.434 15 I N -0.737 119.736 120.570 -0.161 0.000 2.315 15 I HA -0.243 3.931 4.170 0.006 0.000 0.248 15 I C 2.595 178.675 176.117 -0.062 0.000 1.117 15 I CA 1.261 62.536 61.300 -0.042 0.000 1.404 15 I CB -1.057 36.932 38.000 -0.019 0.000 1.071 15 I HN 0.351 nan 8.210 nan 0.000 0.419 16 L N 0.375 121.544 121.223 -0.089 0.000 2.109 16 L HA -0.102 4.241 4.340 0.006 0.000 0.207 16 L C 2.795 179.628 176.870 -0.061 0.000 1.086 16 L CA 0.985 55.785 54.840 -0.066 0.000 0.760 16 L CB -0.624 41.396 42.059 -0.065 0.000 0.910 16 L HN 0.149 nan 8.230 nan 0.000 0.437 17 A N 0.063 122.807 122.820 -0.126 0.000 1.883 17 A HA -0.234 4.090 4.320 0.006 0.000 0.217 17 A C 2.326 179.954 177.584 0.072 0.000 1.186 17 A CA 1.652 53.648 52.037 -0.068 0.000 0.624 17 A CB -0.389 18.378 19.000 -0.387 0.000 0.822 17 A HN 0.259 nan 8.150 nan 0.000 0.444 18 M N -0.633 118.944 119.600 -0.037 0.000 2.175 18 M HA -0.100 4.383 4.480 0.006 0.000 0.264 18 M C 2.536 178.856 176.300 0.033 0.000 1.063 18 M CA 1.531 56.855 55.300 0.039 0.000 1.119 18 M CB -1.304 31.343 32.600 0.078 0.000 1.377 18 M HN 0.507 nan 8.290 nan 0.000 0.415 19 A N 0.299 123.135 122.820 0.027 0.000 1.933 19 A HA -0.026 4.297 4.320 0.006 0.000 0.218 19 A C 2.386 179.978 177.584 0.014 0.000 1.175 19 A CA 1.947 53.995 52.037 0.019 0.000 0.628 19 A CB -1.312 17.692 19.000 0.007 0.000 0.814 19 A HN 0.531 nan 8.150 nan 0.000 0.444 20 G N -0.137 108.675 108.800 0.019 0.000 2.421 20 G HA2 -0.235 3.729 3.960 0.006 0.000 0.217 20 G HA3 -0.235 3.729 3.960 0.006 0.000 0.217 20 G C 1.506 176.402 174.900 -0.006 0.000 1.143 20 G CA 1.021 46.135 45.100 0.024 0.000 0.784 20 G HN 0.551 nan 8.290 nan 0.000 0.541 21 N N 1.805 120.485 118.700 -0.033 0.000 2.043 21 N HA -0.128 4.616 4.740 0.006 0.000 0.193 21 N C 2.404 177.795 175.510 -0.200 0.000 1.037 21 N CA 1.959 54.891 53.050 -0.198 0.000 0.851 21 N CB -0.508 37.756 38.487 -0.373 0.000 1.027 21 N HN 0.237 nan 8.380 nan 0.000 0.422 22 A N 0.828 123.575 122.820 -0.122 0.000 1.872 22 A HA 0.105 4.429 4.320 0.006 0.000 0.214 22 A C 0.994 178.552 177.584 -0.043 0.000 1.187 22 A CA 0.584 52.563 52.037 -0.097 0.000 0.614 22 A CB -0.526 18.451 19.000 -0.039 0.000 0.826 22 A HN 0.098 nan 8.150 nan 0.000 0.442 23 V N 0.789 120.705 119.914 0.003 0.000 2.387 23 V HA 0.533 4.656 4.120 0.006 0.000 0.260 23 V C 0.772 176.936 176.094 0.117 0.000 1.054 23 V CA 0.390 62.722 62.300 0.054 0.000 0.967 23 V CB -0.051 31.826 31.823 0.090 0.000 1.036 23 V HN 0.611 nan 8.190 nan 0.000 0.481 24 G N 2.984 111.879 108.800 0.158 0.000 2.976 24 G HA2 0.439 4.403 3.960 0.006 0.000 0.276 24 G HA3 0.439 4.403 3.960 0.006 0.000 0.276 24 G C 0.296 175.389 174.900 0.322 0.000 1.207 24 G CA -0.790 44.456 45.100 0.242 0.000 0.803 24 G HN 0.451 nan 8.290 nan 0.000 0.572 25 L N 1.000 122.419 121.223 0.326 0.000 2.265 25 L HA 0.042 4.386 4.340 0.006 0.000 0.215 25 L C 2.918 179.974 176.870 0.310 0.000 1.117 25 L CA 1.188 56.177 54.840 0.247 0.000 0.782 25 L CB -0.442 41.639 42.059 0.037 0.000 0.914 25 L HN 0.637 nan 8.230 nan 0.000 0.441 26 G N 0.276 109.344 108.800 0.447 0.000 2.432 26 G HA2 -0.255 3.709 3.960 0.006 0.000 0.219 26 G HA3 -0.255 3.709 3.960 0.006 0.000 0.219 26 G C 1.303 176.342 174.900 0.232 0.000 1.135 26 G CA 0.835 46.202 45.100 0.444 0.000 0.767 26 G HN 0.394 nan 8.290 nan 0.000 0.550 27 N N -0.020 118.730 118.700 0.083 0.000 2.216 27 N HA 0.025 4.769 4.740 0.006 0.000 0.183 27 N C 1.436 176.756 175.510 -0.317 0.000 1.017 27 N CA 0.939 53.841 53.050 -0.246 0.000 0.861 27 N CB -0.213 37.902 38.487 -0.619 0.000 0.986 27 N HN 0.386 nan 8.380 nan 0.000 0.428 28 F N -0.734 119.306 119.950 0.151 0.000 2.622 28 F HA 0.366 4.896 4.527 0.006 0.000 0.288 28 F C 1.611 177.539 175.800 0.214 0.000 1.120 28 F CA 0.122 58.228 58.000 0.178 0.000 1.423 28 F CB 0.184 39.196 39.000 0.020 0.000 1.127 28 F HN -0.082 nan 8.300 nan 0.000 0.588 29 L N -1.326 120.066 121.223 0.282 0.000 2.433 29 L HA 0.193 4.536 4.340 0.006 0.000 0.200 29 L C 2.410 179.338 176.870 0.095 0.000 1.059 29 L CA 0.348 55.309 54.840 0.203 0.000 0.835 29 L CB -0.281 41.889 42.059 0.185 0.000 1.076 29 L HN -0.136 nan 8.230 nan 0.000 0.481 30 R N -0.009 120.531 120.500 0.067 0.000 2.055 30 R HA -0.127 4.217 4.340 0.006 0.000 0.226 30 R C 2.376 178.661 176.300 -0.024 0.000 1.135 30 R CA 1.410 57.483 56.100 -0.044 0.000 0.959 30 R CB -0.299 29.918 30.300 -0.139 0.000 0.854 30 R HN 0.085 nan 8.270 nan 0.000 0.431 31 F N 2.130 122.047 119.950 -0.054 0.000 2.043 31 F HA -0.186 4.345 4.527 0.006 0.000 0.297 31 F C -1.155 174.532 175.800 -0.189 0.000 1.118 31 F CA 1.826 59.765 58.000 -0.101 0.000 1.202 31 F CB -1.093 37.858 39.000 -0.083 0.000 0.965 31 F HN 0.064 nan 8.300 nan 0.000 0.482 32 P HA -0.168 nan 4.420 nan 0.000 0.215 32 P C 2.107 179.197 177.300 -0.349 0.000 1.153 32 P CA 1.954 64.890 63.100 -0.273 0.000 0.853 32 P CB -0.084 31.608 31.700 -0.012 0.000 0.788 33 V N -0.325 119.433 119.914 -0.259 0.000 2.358 33 V HA -0.225 3.899 4.120 0.006 0.000 0.246 33 V C 2.544 178.414 176.094 -0.372 0.000 1.047 33 V CA 1.672 63.822 62.300 -0.250 0.000 1.035 33 V CB -1.074 30.641 31.823 -0.181 0.000 0.658 33 V HN 0.127 nan 8.190 nan 0.000 0.452 34 Q N -0.088 119.423 119.800 -0.482 0.000 2.084 34 Q HA -0.136 4.208 4.340 0.006 0.000 0.202 34 Q C 2.421 177.745 176.000 -1.127 0.000 0.978 34 Q CA 1.968 57.389 55.803 -0.638 0.000 0.844 34 Q CB -0.645 27.777 28.738 -0.526 0.000 0.898 34 Q HN 0.645 nan 8.270 nan 0.000 0.426 35 A N 0.935 122.927 122.820 -1.381 0.000 1.898 35 A HA -0.015 4.309 4.320 0.006 0.000 0.216 35 A C 2.325 179.496 177.584 -0.689 0.000 1.181 35 A CA 1.771 52.951 52.037 -1.427 0.000 0.620 35 A CB -0.630 17.546 19.000 -1.373 0.000 0.819 35 A HN 0.353 nan 8.150 nan 0.000 0.442 36 A N -0.149 122.420 122.820 -0.418 0.000 1.898 36 A HA -0.156 4.168 4.320 0.006 0.000 0.216 36 A C 1.865 179.412 177.584 -0.063 0.000 1.181 36 A CA 1.552 53.551 52.037 -0.063 0.000 0.620 36 A CB -0.564 18.399 19.000 -0.062 0.000 0.819 36 A HN 0.606 nan 8.150 nan 0.000 0.442 37 E N -0.117 119.973 120.200 -0.184 0.000 2.333 37 E HA -0.107 4.247 4.350 0.006 0.000 0.198 37 E C 0.168 176.700 176.600 -0.113 0.000 1.007 37 E CA 0.707 57.025 56.400 -0.136 0.000 0.845 37 E CB -0.067 29.535 29.700 -0.163 0.000 0.766 37 E HN 0.514 nan 8.360 nan 0.000 0.507 38 N N -0.623 117.971 118.700 -0.177 0.000 2.480 38 N HA 0.092 4.836 4.740 0.006 0.000 0.281 38 N C 0.237 175.690 175.510 -0.096 0.000 1.381 38 N CA 0.520 53.511 53.050 -0.098 0.000 0.903 38 N CB 1.635 40.100 38.487 -0.037 0.000 1.274 38 N HN 0.191 nan 8.380 nan 0.000 0.505 39 G N 0.308 109.054 108.800 -0.089 0.000 2.179 39 G HA2 -0.294 3.669 3.960 0.006 0.000 0.260 39 G HA3 -0.294 3.669 3.960 0.006 0.000 0.260 39 G C 0.846 175.466 174.900 -0.467 0.000 0.977 39 G CA 0.446 45.468 45.100 -0.131 0.000 0.641 39 G HN 0.754 nan 8.290 nan 0.000 0.533 40 G N -0.492 107.932 108.800 -0.626 0.000 2.720 40 G HA2 0.047 4.010 3.960 0.006 0.000 0.293 40 G HA3 0.047 4.010 3.960 0.006 0.000 0.293 40 G C 1.955 176.504 174.900 -0.585 0.000 1.256 40 G CA 1.717 46.213 45.100 -1.007 0.000 0.974 40 G HN 1.900 nan 8.290 nan 0.000 0.551 41 G N 0.830 109.300 108.800 -0.549 0.000 2.484 41 G HA2 0.341 4.305 3.960 0.006 0.000 0.218 41 G HA3 0.341 4.305 3.960 0.006 0.000 0.218 41 G C 2.027 176.747 174.900 -0.301 0.000 1.130 41 G CA 2.471 47.357 45.100 -0.357 0.000 0.784 41 G HN 1.798 nan 8.290 nan 0.000 0.543 42 A N 0.555 123.201 122.820 -0.291 0.000 1.978 42 A HA -0.013 4.311 4.320 0.006 0.000 0.220 42 A C 2.068 179.533 177.584 -0.199 0.000 1.170 42 A CA 1.487 53.379 52.037 -0.242 0.000 0.636 42 A CB -0.478 18.419 19.000 -0.172 0.000 0.810 42 A HN 0.418 nan 8.150 nan 0.000 0.448 43 F N -0.151 119.602 119.950 -0.329 0.000 2.206 43 F HA -0.089 4.441 4.527 0.005 0.000 0.298 43 F C 2.169 177.816 175.800 -0.255 0.000 1.090 43 F CA 1.497 59.319 58.000 -0.298 0.000 1.323 43 F CB -0.125 38.675 39.000 -0.334 0.000 1.028 43 F HN 0.075 nan 8.300 nan 0.000 0.492 44 M N -0.097 119.385 119.600 -0.196 0.000 2.229 44 M HA -0.163 4.321 4.480 0.006 0.000 0.264 44 M C 2.137 178.342 176.300 -0.158 0.000 1.063 44 M CA 1.020 56.197 55.300 -0.205 0.000 1.114 44 M CB -1.071 31.391 32.600 -0.230 0.000 1.387 44 M HN 0.155 nan 8.290 nan 0.000 0.420 45 I N 0.606 121.045 120.570 -0.218 0.000 2.163 45 I HA -0.155 4.019 4.170 0.006 0.000 0.240 45 I C -0.412 175.559 176.117 -0.244 0.000 1.081 45 I CA 1.413 62.618 61.300 -0.158 0.000 1.353 45 I CB -2.909 35.005 38.000 -0.144 0.000 1.054 45 I HN 0.106 nan 8.210 nan 0.000 0.407 46 P HA -0.189 nan 4.420 nan 0.000 0.218 46 P C 1.906 178.983 177.300 -0.373 0.000 1.149 46 P CA 1.339 63.946 63.100 -0.821 0.000 0.817 46 P CB -0.236 30.593 31.700 -1.451 0.000 0.785 47 Y N 0.553 120.532 120.300 -0.536 0.000 2.145 47 Y HA -0.170 4.384 4.550 0.007 0.000 0.286 47 Y C 2.146 177.976 175.900 -0.117 0.000 1.145 47 Y CA 1.507 59.370 58.100 -0.396 0.000 1.148 47 Y CB -0.927 37.205 38.460 -0.547 0.000 0.981 47 Y HN -0.228 nan 8.280 nan 0.000 0.507 48 I N 0.009 120.636 120.570 0.096 0.000 2.226 48 I HA -0.337 3.837 4.170 0.006 0.000 0.245 48 I C 2.268 178.436 176.117 0.084 0.000 1.100 48 I CA 1.603 62.974 61.300 0.118 0.000 1.374 48 I CB -0.396 37.702 38.000 0.163 0.000 1.057 48 I HN 0.259 nan 8.210 nan 0.000 0.413 49 I N 0.580 121.186 120.570 0.060 0.000 2.286 49 I HA -0.280 3.894 4.170 0.006 0.000 0.248 49 I C 2.738 178.856 176.117 0.002 0.000 1.115 49 I CA 1.270 62.624 61.300 0.089 0.000 1.392 49 I CB -0.447 37.700 38.000 0.244 0.000 1.065 49 I HN 0.192 nan 8.210 nan 0.000 0.418 50 A N 0.627 123.450 122.820 0.005 0.000 1.898 50 A HA -0.246 4.078 4.320 0.006 0.000 0.216 50 A C 2.222 179.729 177.584 -0.128 0.000 1.181 50 A CA 1.265 53.271 52.037 -0.053 0.000 0.620 50 A CB -0.945 18.089 19.000 0.057 0.000 0.819 50 A HN 0.441 nan 8.150 nan 0.000 0.442 51 F N 0.704 120.479 119.950 -0.292 0.000 2.120 51 F HA -0.187 4.344 4.527 0.006 0.000 0.300 51 F C 1.839 177.525 175.800 -0.190 0.000 1.095 51 F CA 1.894 59.720 58.000 -0.290 0.000 1.249 51 F CB -0.290 38.525 39.000 -0.308 0.000 0.995 51 F HN 0.146 nan 8.300 nan 0.000 0.480 52 L N -0.557 120.563 121.223 -0.173 0.000 2.109 52 L HA -0.147 4.196 4.340 0.006 0.000 0.207 52 L C 2.140 178.931 176.870 -0.132 0.000 1.086 52 L CA 0.923 55.665 54.840 -0.163 0.000 0.760 52 L CB -0.453 41.606 42.059 -0.000 0.000 0.910 52 L HN 0.203 nan 8.230 nan 0.000 0.437 53 L N -2.059 119.036 121.223 -0.214 0.000 2.513 53 L HA 0.054 4.397 4.340 0.006 0.000 0.222 53 L C 1.715 178.416 176.870 -0.282 0.000 1.096 53 L CA -0.042 54.641 54.840 -0.261 0.000 0.857 53 L CB 0.292 42.048 42.059 -0.505 0.000 1.026 53 L HN 0.010 nan 8.230 nan 0.000 0.469 54 V N -1.175 118.555 119.914 -0.307 0.000 2.950 54 V HA 0.221 4.344 4.120 0.006 0.000 0.231 54 V C 2.370 178.240 176.094 -0.373 0.000 1.205 54 V CA 0.959 63.094 62.300 -0.274 0.000 1.239 54 V CB -0.563 31.159 31.823 -0.169 0.000 1.050 54 V HN 0.298 nan 8.190 nan 0.000 0.498 55 G N 1.369 109.921 108.800 -0.413 0.000 2.628 55 G HA2 -0.254 3.710 3.960 0.006 0.000 0.217 55 G HA3 -0.254 3.710 3.960 0.006 0.000 0.217 55 G C 1.482 176.024 174.900 -0.597 0.000 1.240 55 G CA 1.483 46.306 45.100 -0.462 0.000 0.792 55 G HN 0.289 nan 8.290 nan 0.000 0.593 56 I N 2.353 122.394 120.570 -0.882 0.000 2.163 56 I HA -0.105 4.068 4.170 0.006 0.000 0.243 56 I C 0.179 175.739 176.117 -0.928 0.000 1.085 56 I CA 1.516 62.163 61.300 -1.089 0.000 1.347 56 I CB -1.802 35.466 38.000 -1.219 0.000 1.044 56 I HN 0.206 nan 8.210 nan 0.000 0.408 57 P HA -0.093 nan 4.420 nan 0.000 0.217 57 P C 2.330 179.538 177.300 -0.153 0.000 1.154 57 P CA 1.177 64.138 63.100 -0.231 0.000 0.841 57 P CB 0.015 31.668 31.700 -0.079 0.000 0.788 58 L N -1.441 119.648 121.223 -0.223 0.000 2.131 58 L HA -0.147 4.197 4.340 0.006 0.000 0.210 58 L C 2.719 179.522 176.870 -0.111 0.000 1.092 58 L CA 1.297 56.039 54.840 -0.163 0.000 0.759 58 L CB -0.619 41.299 42.059 -0.236 0.000 0.903 58 L HN -0.019 nan 8.230 nan 0.000 0.435 59 M N -0.833 118.643 119.600 -0.207 0.000 2.086 59 M HA -0.249 4.235 4.480 0.006 0.000 0.261 59 M C 1.952 178.291 176.300 0.064 0.000 1.067 59 M CA 1.973 57.215 55.300 -0.096 0.000 1.116 59 M CB -0.459 31.979 32.600 -0.269 0.000 1.348 59 M HN 0.146 nan 8.290 nan 0.000 0.407 60 W N 0.438 121.673 121.300 -0.108 0.000 2.355 60 W HA -0.107 4.557 4.660 0.006 0.000 0.309 60 W C 2.332 178.857 176.519 0.010 0.000 1.206 60 W CA 1.250 58.527 57.345 -0.113 0.000 1.284 60 W CB -1.168 28.173 29.460 -0.198 0.000 1.145 60 W HN 0.268 nan 8.180 nan 0.000 0.502 61 I N 0.243 120.954 120.570 0.236 0.000 2.208 61 I HA -0.297 3.877 4.170 0.006 0.000 0.245 61 I C 2.240 178.333 176.117 -0.040 0.000 1.097 61 I CA 1.479 62.859 61.300 0.133 0.000 1.363 61 I CB -0.469 37.612 38.000 0.135 0.000 1.051 61 I HN -0.003 nan 8.210 nan 0.000 0.413 62 E N -0.197 120.035 120.200 0.053 0.000 2.072 62 E HA -0.214 4.140 4.350 0.006 0.000 0.190 62 E C 2.057 178.716 176.600 0.098 0.000 0.982 62 E CA 1.216 57.636 56.400 0.034 0.000 0.803 62 E CB -0.162 29.572 29.700 0.057 0.000 0.755 62 E HN 0.499 nan 8.360 nan 0.000 0.453 63 W N 1.224 122.519 121.300 -0.009 0.000 2.338 63 W HA -0.141 4.523 4.660 0.006 0.000 0.304 63 W C 2.576 179.103 176.519 0.012 0.000 1.212 63 W CA 1.364 58.728 57.345 0.032 0.000 1.264 63 W CB -0.594 28.910 29.460 0.073 0.000 1.142 63 W HN 0.080 nan 8.180 nan 0.000 0.512 64 A N -0.404 122.546 122.820 0.216 0.000 1.898 64 A HA -0.194 4.129 4.320 0.006 0.000 0.216 64 A C 1.955 179.489 177.584 -0.083 0.000 1.181 64 A CA 1.878 53.967 52.037 0.086 0.000 0.620 64 A CB -0.828 18.233 19.000 0.102 0.000 0.819 64 A HN 0.253 nan 8.150 nan 0.000 0.442 65 M N -0.532 118.875 119.600 -0.322 0.000 2.159 65 M HA -0.100 4.384 4.480 0.006 0.000 0.263 65 M C 2.251 178.540 176.300 -0.019 0.000 1.063 65 M CA 1.408 56.520 55.300 -0.313 0.000 1.110 65 M CB -0.515 31.860 32.600 -0.375 0.000 1.374 65 M HN 0.515 nan 8.290 nan 0.000 0.411 66 G N -0.133 108.669 108.800 0.004 0.000 2.404 66 G HA2 -0.185 3.778 3.960 0.006 0.000 0.214 66 G HA3 -0.185 3.778 3.960 0.006 0.000 0.214 66 G C 1.556 176.484 174.900 0.047 0.000 1.189 66 G CA 0.538 45.645 45.100 0.013 0.000 0.789 66 G HN 0.354 nan 8.290 nan 0.000 0.533 67 R N -0.908 119.657 120.500 0.109 0.000 2.103 67 R HA -0.186 4.157 4.340 0.006 0.000 0.242 67 R C 2.246 178.639 176.300 0.155 0.000 1.142 67 R CA 1.737 57.925 56.100 0.145 0.000 0.960 67 R CB -0.526 29.895 30.300 0.202 0.000 0.858 67 R HN 0.455 nan 8.270 nan 0.000 0.439 68 Y N 0.032 120.357 120.300 0.041 0.000 2.163 68 Y HA -0.052 4.502 4.550 0.006 0.000 0.288 68 Y C 2.119 178.044 175.900 0.043 0.000 1.136 68 Y CA 1.915 60.044 58.100 0.049 0.000 1.147 68 Y CB -0.654 37.828 38.460 0.037 0.000 0.987 68 Y HN 0.154 nan 8.280 nan 0.000 0.509 69 G N -0.726 108.146 108.800 0.120 0.000 2.408 69 G HA2 -0.204 3.760 3.960 0.006 0.000 0.217 69 G HA3 -0.204 3.760 3.960 0.006 0.000 0.217 69 G C 1.857 176.747 174.900 -0.017 0.000 1.150 69 G CA 0.677 45.804 45.100 0.045 0.000 0.776 69 G HN 0.598 nan 8.290 nan 0.000 0.542 70 G N 1.059 109.834 108.800 -0.041 0.000 2.408 70 G HA2 0.074 4.038 3.960 0.006 0.000 0.217 70 G HA3 0.074 4.038 3.960 0.006 0.000 0.217 70 G C 2.025 176.891 174.900 -0.057 0.000 1.150 70 G CA 1.391 46.435 45.100 -0.093 0.000 0.776 70 G HN 0.601 nan 8.290 nan 0.000 0.542 71 A N 0.449 123.248 122.820 -0.036 0.000 1.940 71 A HA -0.082 4.242 4.320 0.006 0.000 0.219 71 A C 2.166 179.710 177.584 -0.068 0.000 1.176 71 A CA 1.636 53.654 52.037 -0.031 0.000 0.631 71 A CB -0.273 18.699 19.000 -0.047 0.000 0.814 71 A HN 0.473 nan 8.150 nan 0.000 0.446 72 Q N -1.549 118.190 119.800 -0.102 0.000 2.280 72 Q HA 0.319 4.662 4.340 0.006 0.000 0.202 72 Q C 0.930 176.871 176.000 -0.098 0.000 0.903 72 Q CA 0.268 56.035 55.803 -0.060 0.000 0.948 72 Q CB 0.176 28.895 28.738 -0.032 0.000 1.058 72 Q HN 0.857 nan 8.270 nan 0.000 0.493 73 G N 1.110 109.805 108.800 -0.174 0.000 2.157 73 G HA2 -0.213 3.750 3.960 0.006 0.000 0.248 73 G HA3 -0.213 3.750 3.960 0.006 0.000 0.248 73 G C -0.243 174.334 174.900 -0.539 0.000 0.979 73 G CA -0.286 44.609 45.100 -0.343 0.000 0.650 73 G HN 0.457 nan 8.290 nan 0.000 0.529 74 H N -0.463 118.553 119.070 -0.089 0.000 2.589 74 H HA 0.543 5.103 4.556 0.006 0.000 0.335 74 H C 1.023 176.295 175.328 -0.094 0.000 1.019 74 H CA 0.077 56.081 56.048 -0.073 0.000 1.213 74 H CB 1.524 31.270 29.762 -0.027 0.000 1.472 74 H HN 0.230 nan 8.280 nan 0.000 0.508 75 G N 2.231 111.027 108.800 -0.006 0.000 3.044 75 G HA2 -0.009 3.955 3.960 0.006 0.000 0.223 75 G HA3 -0.009 3.955 3.960 0.006 0.000 0.223 75 G C 0.544 175.446 174.900 0.004 0.000 1.123 75 G CA 0.156 45.207 45.100 -0.081 0.000 0.765 75 G HN 0.583 nan 8.290 nan 0.000 0.546 76 T N -3.355 111.240 114.554 0.070 0.000 2.930 76 T HA 0.441 4.794 4.350 0.006 0.000 0.290 76 T C 1.468 176.175 174.700 0.012 0.000 1.052 76 T CA 0.416 62.552 62.100 0.061 0.000 1.017 76 T CB 1.551 70.494 68.868 0.124 0.000 1.137 76 T HN 0.011 nan 8.240 nan 0.000 0.511 77 T N -2.252 112.245 114.554 -0.094 0.000 2.962 77 T HA 0.089 4.443 4.350 0.006 0.000 0.270 77 T C -1.151 173.362 174.700 -0.312 0.000 1.088 77 T CA 0.499 62.405 62.100 -0.323 0.000 1.127 77 T CB -1.574 66.906 68.868 -0.647 0.000 0.883 77 T HN 0.420 nan 8.240 nan 0.000 0.493 78 P HA 0.084 nan 4.420 nan 0.000 0.215 78 P C 1.867 179.177 177.300 0.016 0.000 1.157 78 P CA 1.479 64.532 63.100 -0.078 0.000 0.863 78 P CB -0.339 31.317 31.700 -0.073 0.000 0.787 79 A N -0.595 122.234 122.820 0.015 0.000 1.855 79 A HA -0.140 4.184 4.320 0.006 0.000 0.215 79 A C 2.250 179.865 177.584 0.051 0.000 1.191 79 A CA 1.374 53.375 52.037 -0.061 0.000 0.613 79 A CB -1.610 17.225 19.000 -0.275 0.000 0.829 79 A HN 0.067 nan 8.150 nan 0.000 0.442 80 I N -1.347 119.279 120.570 0.093 0.000 2.226 80 I HA -0.228 3.945 4.170 0.006 0.000 0.245 80 I C 2.205 178.536 176.117 0.356 0.000 1.100 80 I CA 1.127 62.542 61.300 0.192 0.000 1.374 80 I CB -0.399 37.703 38.000 0.171 0.000 1.057 80 I HN 0.230 nan 8.210 nan 0.000 0.413 81 F N 0.130 120.156 119.950 0.126 0.000 2.171 81 F HA -0.255 4.275 4.527 0.006 0.000 0.300 81 F C 2.479 178.418 175.800 0.232 0.000 1.090 81 F CA 1.133 59.234 58.000 0.169 0.000 1.293 81 F CB -1.317 37.790 39.000 0.177 0.000 1.013 81 F HN 0.100 nan 8.300 nan 0.000 0.486 82 Y N 0.316 120.762 120.300 0.244 0.000 2.242 82 Y HA -0.120 4.434 4.550 0.006 0.000 0.291 82 Y C 2.178 178.162 175.900 0.140 0.000 1.137 82 Y CA 1.191 59.362 58.100 0.118 0.000 1.181 82 Y CB -0.525 37.948 38.460 0.021 0.000 0.989 82 Y HN -0.038 nan 8.280 nan 0.000 0.527 83 L N -0.664 120.651 121.223 0.153 0.000 2.131 83 L HA -0.229 4.115 4.340 0.006 0.000 0.210 83 L C 2.011 178.999 176.870 0.197 0.000 1.092 83 L CA 1.185 56.104 54.840 0.131 0.000 0.759 83 L CB -0.483 41.698 42.059 0.204 0.000 0.903 83 L HN 0.260 nan 8.230 nan 0.000 0.435 84 L N -2.494 118.840 121.223 0.184 0.000 2.446 84 L HA 0.001 4.344 4.340 0.006 0.000 0.219 84 L C 0.213 177.319 176.870 0.392 0.000 1.116 84 L CA 0.000 54.931 54.840 0.151 0.000 0.844 84 L CB 0.111 42.113 42.059 -0.095 0.000 0.970 84 L HN 0.288 nan 8.230 nan 0.000 0.457 85 W N 1.143 122.485 121.300 0.069 0.000 2.680 85 W HA 0.307 4.970 4.660 0.006 0.000 0.305 85 W C -0.597 175.911 176.519 -0.019 0.000 1.033 85 W CA -1.313 56.068 57.345 0.060 0.000 1.242 85 W CB 0.681 30.189 29.460 0.080 0.000 1.138 85 W HN -0.233 nan 8.180 nan 0.000 0.358 86 R N 4.903 125.360 120.500 -0.072 0.000 3.247 86 R HA 0.148 4.492 4.340 0.006 0.000 0.212 86 R C -0.274 175.886 176.300 -0.232 0.000 1.604 86 R CA 0.130 55.962 56.100 -0.446 0.000 1.279 86 R CB -0.496 29.619 30.300 -0.309 0.000 1.277 86 R HN 0.432 nan 8.270 nan 0.000 0.669 87 N N 0.562 119.115 118.700 -0.245 0.000 2.308 87 N HA 0.115 4.859 4.740 0.006 0.000 0.283 87 N C 0.341 175.817 175.510 -0.056 0.000 1.105 87 N CA -0.474 52.411 53.050 -0.274 0.000 0.840 87 N CB 1.857 39.772 38.487 -0.953 0.000 1.633 87 N HN 0.047 nan 8.380 nan 0.000 0.476 88 R N 1.624 122.132 120.500 0.014 0.000 2.115 88 R HA 0.074 4.417 4.340 0.006 0.000 0.230 88 R C 1.678 178.003 176.300 0.042 0.000 1.111 88 R CA 1.214 57.321 56.100 0.010 0.000 0.976 88 R CB -0.586 29.733 30.300 0.031 0.000 0.870 88 R HN 0.586 nan 8.270 nan 0.000 0.445 89 F N 0.492 120.353 119.950 -0.148 0.000 2.216 89 F HA -0.064 4.467 4.527 0.006 0.000 0.300 89 F C 1.887 177.653 175.800 -0.056 0.000 1.085 89 F CA 1.073 59.024 58.000 -0.082 0.000 1.326 89 F CB -0.573 38.391 39.000 -0.060 0.000 1.027 89 F HN 0.103 nan 8.300 nan 0.000 0.497 90 A N 0.345 122.994 122.820 -0.286 0.000 1.908 90 A HA -0.235 4.089 4.320 0.006 0.000 0.218 90 A C 2.310 179.996 177.584 0.169 0.000 1.181 90 A CA 1.911 53.938 52.037 -0.017 0.000 0.627 90 A CB -0.650 18.375 19.000 0.042 0.000 0.818 90 A HN 0.439 nan 8.150 nan 0.000 0.445 91 K N -0.622 119.812 120.400 0.057 0.000 2.097 91 K HA -0.044 4.280 4.320 0.006 0.000 0.206 91 K C 1.798 178.386 176.600 -0.020 0.000 1.049 91 K CA 1.418 57.702 56.287 -0.005 0.000 0.933 91 K CB -0.319 32.095 32.500 -0.143 0.000 0.717 91 K HN 0.565 nan 8.250 nan 0.000 0.442 92 I N 1.016 121.580 120.570 -0.010 0.000 2.235 92 I HA -0.240 3.934 4.170 0.006 0.000 0.241 92 I C 2.212 178.383 176.117 0.090 0.000 1.085 92 I CA 0.947 62.252 61.300 0.009 0.000 1.378 92 I CB -0.240 37.815 38.000 0.092 0.000 1.076 92 I HN 0.066 nan 8.210 nan 0.000 0.415 93 L N 0.722 121.988 121.223 0.072 0.000 2.129 93 L HA -0.197 4.147 4.340 0.006 0.000 0.212 93 L C 2.575 179.786 176.870 0.568 0.000 1.087 93 L CA 1.519 56.602 54.840 0.405 0.000 0.757 93 L CB -1.091 41.147 42.059 0.299 0.000 0.896 93 L HN 0.367 nan 8.230 nan 0.000 0.434 94 G N -0.706 108.264 108.800 0.284 0.000 2.448 94 G HA2 -0.168 3.796 3.960 0.006 0.000 0.219 94 G HA3 -0.168 3.796 3.960 0.006 0.000 0.219 94 G C 1.552 176.362 174.900 -0.151 0.000 1.127 94 G CA 0.705 45.734 45.100 -0.118 0.000 0.766 94 G HN 0.238 nan 8.290 nan 0.000 0.552 95 V N 0.393 120.189 119.914 -0.196 0.000 2.594 95 V HA -0.128 3.996 4.120 0.006 0.000 0.253 95 V C 2.395 178.255 176.094 -0.390 0.000 1.069 95 V CA 1.202 63.210 62.300 -0.487 0.000 1.082 95 V CB -0.665 30.584 31.823 -0.957 0.000 0.680 95 V HN 0.335 nan 8.190 nan 0.000 0.469 96 F N 1.463 121.385 119.950 -0.047 0.000 2.236 96 F HA -0.098 4.433 4.527 0.006 0.000 0.302 96 F C 2.251 177.728 175.800 -0.538 0.000 1.073 96 F CA 1.533 59.477 58.000 -0.093 0.000 1.336 96 F CB -0.787 38.186 39.000 -0.046 0.000 1.040 96 F HN 0.255 nan 8.300 nan 0.000 0.507 97 G N -1.190 107.301 108.800 -0.515 0.000 3.042 97 G HA2 0.136 4.100 3.960 0.006 0.000 0.212 97 G HA3 0.136 4.100 3.960 0.006 0.000 0.212 97 G C 1.387 176.178 174.900 -0.181 0.000 1.166 97 G CA 0.050 44.880 45.100 -0.451 0.000 0.767 97 G HN 0.324 nan 8.290 nan 0.000 0.546 98 L N -2.067 119.044 121.223 -0.187 0.000 2.388 98 L HA 0.269 4.613 4.340 0.006 0.000 0.209 98 L C 2.330 179.170 176.870 -0.050 0.000 1.061 98 L CA -0.040 54.708 54.840 -0.154 0.000 0.834 98 L CB -0.118 41.749 42.059 -0.319 0.000 1.029 98 L HN 0.362 nan 8.230 nan 0.000 0.473 99 W N 1.586 122.754 121.300 -0.220 0.000 2.407 99 W HA -0.071 4.592 4.660 0.006 0.000 0.305 99 W C 2.145 178.672 176.519 0.012 0.000 1.196 99 W CA 1.258 58.545 57.345 -0.098 0.000 1.311 99 W CB -0.035 29.382 29.460 -0.071 0.000 1.135 99 W HN -0.083 nan 8.180 nan 0.000 0.514 100 I N 2.067 122.725 120.570 0.147 0.000 2.091 100 I HA -0.303 3.871 4.170 0.006 0.000 0.239 100 I C -0.342 175.733 176.117 -0.069 0.000 1.061 100 I CA 1.781 63.054 61.300 -0.045 0.000 1.317 100 I CB -1.985 36.000 38.000 -0.026 0.000 1.031 100 I HN -0.070 nan 8.210 nan 0.000 0.401 101 P HA -0.178 nan 4.420 nan 0.000 0.218 101 P C 1.909 179.174 177.300 -0.058 0.000 1.149 101 P CA 1.405 64.508 63.100 0.004 0.000 0.817 101 P CB -0.018 31.680 31.700 -0.002 0.000 0.785 102 L N -0.097 121.086 121.223 -0.066 0.000 2.027 102 L HA -0.094 4.250 4.340 0.006 0.000 0.206 102 L C 2.478 179.299 176.870 -0.083 0.000 1.074 102 L CA 1.596 56.410 54.840 -0.043 0.000 0.745 102 L CB -1.133 40.922 42.059 -0.007 0.000 0.898 102 L HN -0.253 nan 8.230 nan 0.000 0.433 103 V N -1.195 118.579 119.914 -0.234 0.000 2.343 103 V HA -0.269 3.855 4.120 0.006 0.000 0.247 103 V C 2.443 178.505 176.094 -0.055 0.000 1.051 103 V CA 1.665 63.834 62.300 -0.218 0.000 1.036 103 V CB -0.495 30.979 31.823 -0.582 0.000 0.654 103 V HN 0.338 nan 8.190 nan 0.000 0.451 104 V N 0.237 120.086 119.914 -0.107 0.000 2.427 104 V HA -0.200 3.923 4.120 0.006 0.000 0.248 104 V C 2.705 178.547 176.094 -0.420 0.000 1.051 104 V CA 1.761 63.889 62.300 -0.287 0.000 1.048 104 V CB -1.055 30.741 31.823 -0.046 0.000 0.666 104 V HN 0.552 nan 8.190 nan 0.000 0.456 105 A N 0.023 122.728 122.820 -0.191 0.000 1.940 105 A HA -0.214 4.109 4.320 0.006 0.000 0.219 105 A C 2.166 179.755 177.584 0.009 0.000 1.176 105 A CA 1.995 53.976 52.037 -0.093 0.000 0.631 105 A CB -0.574 18.403 19.000 -0.037 0.000 0.814 105 A HN 0.520 nan 8.150 nan 0.000 0.446 106 I N -1.187 119.402 120.570 0.031 0.000 2.226 106 I HA -0.300 3.874 4.170 0.006 0.000 0.245 106 I C 2.517 178.726 176.117 0.154 0.000 1.100 106 I CA 1.966 63.340 61.300 0.125 0.000 1.374 106 I CB -0.393 37.698 38.000 0.151 0.000 1.057 106 I HN 0.718 nan 8.210 nan 0.000 0.413 107 Y N -1.880 118.499 120.300 0.132 0.000 2.436 107 Y HA -0.039 4.514 4.550 0.006 0.000 0.288 107 Y C 2.338 178.318 175.900 0.133 0.000 1.112 107 Y CA 0.253 58.427 58.100 0.122 0.000 1.220 107 Y CB -1.199 37.337 38.460 0.126 0.000 1.073 107 Y HN 0.056 nan 8.280 nan 0.000 0.552 108 Y N 1.150 121.257 120.300 -0.320 0.000 2.200 108 Y HA -0.135 4.419 4.550 0.006 0.000 0.290 108 Y C 2.329 178.198 175.900 -0.051 0.000 1.137 108 Y CA 1.928 59.917 58.100 -0.184 0.000 1.163 108 Y CB -0.217 38.080 38.460 -0.272 0.000 0.988 108 Y HN 0.024 nan 8.280 nan 0.000 0.518 109 V N -0.439 119.626 119.914 0.250 0.000 2.490 109 V HA -0.315 3.809 4.120 0.006 0.000 0.250 109 V C 1.931 178.233 176.094 0.346 0.000 1.061 109 V CA 2.058 64.532 62.300 0.290 0.000 1.064 109 V CB -1.044 30.974 31.823 0.324 0.000 0.670 109 V HN 0.505 nan 8.190 nan 0.000 0.461 110 Y N 0.657 121.003 120.300 0.077 0.000 2.163 110 Y HA -0.154 4.400 4.550 0.006 0.000 0.288 110 Y C 2.256 177.827 175.900 -0.549 0.000 1.136 110 Y CA 1.292 59.306 58.100 -0.144 0.000 1.147 110 Y CB -0.378 37.878 38.460 -0.340 0.000 0.987 110 Y HN 0.185 nan 8.280 nan 0.000 0.509 111 I N 0.223 120.267 120.570 -0.876 0.000 2.208 111 I HA -0.327 3.847 4.170 0.006 0.000 0.245 111 I C 2.522 178.238 176.117 -0.669 0.000 1.097 111 I CA 1.937 62.353 61.300 -1.473 0.000 1.363 111 I CB -0.539 36.906 38.000 -0.926 0.000 1.051 111 I HN 0.294 nan 8.210 nan 0.000 0.413 112 E N 1.159 121.169 120.200 -0.316 0.000 2.097 112 E HA -0.291 4.063 4.350 0.006 0.000 0.196 112 E C 2.261 178.972 176.600 0.185 0.000 1.000 112 E CA 2.032 58.418 56.400 -0.023 0.000 0.804 112 E CB -0.014 29.718 29.700 0.052 0.000 0.740 112 E HN 0.565 nan 8.360 nan 0.000 0.454 113 S N -0.297 115.509 115.700 0.177 0.000 2.399 113 S HA -0.162 4.312 4.470 0.006 0.000 0.231 113 S C 1.659 176.458 174.600 0.331 0.000 1.022 113 S CA 0.925 59.303 58.200 0.296 0.000 0.983 113 S CB -0.722 62.754 63.200 0.460 0.000 0.803 113 S HN 0.424 nan 8.310 nan 0.000 0.480 114 W N 2.989 124.287 121.300 -0.003 0.000 2.338 114 W HA -0.037 4.627 4.660 0.006 0.000 0.304 114 W C 3.053 179.553 176.519 -0.032 0.000 1.212 114 W CA 1.444 58.727 57.345 -0.103 0.000 1.264 114 W CB -1.890 27.273 29.460 -0.495 0.000 1.142 114 W HN 0.633 nan 8.180 nan 0.000 0.512 115 T N -1.310 113.424 114.554 0.300 0.000 2.821 115 T HA -0.166 4.188 4.350 0.006 0.000 0.267 115 T C 1.936 176.749 174.700 0.189 0.000 1.046 115 T CA 1.312 63.554 62.100 0.238 0.000 1.139 115 T CB -0.806 68.205 68.868 0.238 0.000 0.871 115 T HN -0.025 nan 8.240 nan 0.000 0.454 116 L N 2.272 123.543 121.223 0.080 0.000 2.046 116 L HA 0.254 4.598 4.340 0.006 0.000 0.208 116 L C 2.702 179.634 176.870 0.104 0.000 1.077 116 L CA 2.039 56.764 54.840 -0.192 0.000 0.747 116 L CB -1.344 40.419 42.059 -0.493 0.000 0.896 116 L HN 0.395 nan 8.230 nan 0.000 0.432 117 G N -1.316 107.612 108.800 0.213 0.000 2.421 117 G HA2 -0.295 3.669 3.960 0.006 0.000 0.216 117 G HA3 -0.295 3.669 3.960 0.006 0.000 0.216 117 G C 1.446 176.624 174.900 0.464 0.000 1.171 117 G CA 0.873 46.196 45.100 0.372 0.000 0.775 117 G HN 0.376 nan 8.290 nan 0.000 0.543 118 F N 1.850 121.792 119.950 -0.014 0.000 2.186 118 F HA 0.102 4.632 4.527 0.006 0.000 0.299 118 F C 3.017 178.964 175.800 0.246 0.000 1.090 118 F CA 0.569 58.554 58.000 -0.025 0.000 1.307 118 F CB -0.612 37.849 39.000 -0.898 0.000 1.019 118 F HN 0.246 nan 8.300 nan 0.000 0.489 119 A N 0.530 123.611 122.820 0.435 0.000 1.865 119 A HA -0.196 4.128 4.320 0.006 0.000 0.217 119 A C 2.308 180.253 177.584 0.601 0.000 1.191 119 A CA 1.949 54.343 52.037 0.596 0.000 0.623 119 A CB -1.181 18.117 19.000 0.498 0.000 0.826 119 A HN 0.357 nan 8.150 nan 0.000 0.444 120 I N -0.457 120.387 120.570 0.456 0.000 2.118 120 I HA -0.327 3.846 4.170 0.006 0.000 0.241 120 I C 2.505 178.808 176.117 0.310 0.000 1.070 120 I CA 1.953 63.478 61.300 0.375 0.000 1.327 120 I CB -0.337 37.924 38.000 0.436 0.000 1.034 120 I HN 0.314 nan 8.210 nan 0.000 0.405 121 K N 0.008 120.619 120.400 0.351 0.000 2.147 121 K HA -0.140 4.184 4.320 0.006 0.000 0.205 121 K C 2.077 178.771 176.600 0.157 0.000 1.049 121 K CA 1.411 57.815 56.287 0.195 0.000 0.936 121 K CB -0.198 32.433 32.500 0.219 0.000 0.722 121 K HN 0.138 nan 8.250 nan 0.000 0.446 122 F N 0.916 121.003 119.950 0.228 0.000 2.163 122 F HA -0.144 4.386 4.527 0.006 0.000 0.297 122 F C 2.149 178.057 175.800 0.180 0.000 1.094 122 F CA 0.673 58.824 58.000 0.251 0.000 1.290 122 F CB -0.458 38.802 39.000 0.433 0.000 1.017 122 F HN -0.065 nan 8.300 nan 0.000 0.483 123 L N -0.364 121.017 121.223 0.263 0.000 2.079 123 L HA -0.164 4.180 4.340 0.006 0.000 0.210 123 L C 1.830 178.688 176.870 -0.020 0.000 1.081 123 L CA 1.606 56.394 54.840 -0.087 0.000 0.752 123 L CB -0.609 41.226 42.059 -0.373 0.000 0.896 123 L HN -0.022 nan 8.230 nan 0.000 0.433 124 V N -0.457 119.464 119.914 0.011 0.000 3.647 124 V HA 0.320 4.444 4.120 0.006 0.000 0.279 124 V C 1.639 177.715 176.094 -0.030 0.000 1.314 124 V CA 0.690 62.981 62.300 -0.015 0.000 1.125 124 V CB -0.411 31.404 31.823 -0.014 0.000 0.907 124 V HN 0.694 nan 8.190 nan 0.000 0.434 125 G N 0.968 109.748 108.800 -0.033 0.000 2.148 125 G HA2 -0.262 3.702 3.960 0.006 0.000 0.254 125 G HA3 -0.262 3.702 3.960 0.006 0.000 0.254 125 G C 0.272 175.092 174.900 -0.132 0.000 0.981 125 G CA 0.207 45.261 45.100 -0.077 0.000 0.670 125 G HN 0.489 nan 8.290 nan 0.000 0.528 126 L N 1.102 122.245 121.223 -0.133 0.000 2.437 126 L HA 0.468 4.812 4.340 0.006 0.000 0.243 126 L C 0.914 177.678 176.870 -0.177 0.000 1.346 126 L CA -0.365 54.399 54.840 -0.128 0.000 1.233 126 L CB -0.131 41.862 42.059 -0.109 0.000 1.436 126 L HN 0.325 nan 8.230 nan 0.000 0.416 127 V N -1.128 118.593 119.914 -0.321 0.000 3.141 127 V HA 0.762 4.886 4.120 0.006 0.000 0.312 127 V C -2.554 173.248 176.094 -0.486 0.000 1.157 127 V CA -2.220 59.697 62.300 -0.637 0.000 1.041 127 V CB 1.632 32.876 31.823 -0.965 0.000 1.071 127 V HN 0.119 nan 8.190 nan 0.000 0.441 128 P HA 0.412 nan 4.420 nan 0.000 0.274 128 P C -1.068 175.998 177.300 -0.390 0.000 1.246 128 P CA -0.201 62.569 63.100 -0.550 0.000 0.795 128 P CB 0.324 31.507 31.700 -0.861 0.000 1.006 129 E N 1.382 121.445 120.200 -0.228 0.000 2.191 129 E HA 0.431 4.785 4.350 0.006 0.000 0.263 129 E C -2.209 174.356 176.600 -0.058 0.000 0.881 129 E CA -1.595 54.750 56.400 -0.092 0.000 0.757 129 E CB 0.767 30.431 29.700 -0.060 0.000 1.147 129 E HN 0.399 nan 8.360 nan 0.000 0.414 137 P HA -0.111 nan 4.420 nan 0.000 0.213 137 P C 0.665 178.047 177.300 0.137 0.000 1.170 137 P CA 1.268 64.479 63.100 0.186 0.000 0.902 137 P CB 0.208 32.051 31.700 0.239 0.000 0.789 138 D N -0.800 119.650 120.400 0.083 0.000 2.172 138 D HA -0.158 4.486 4.640 0.006 0.000 0.196 138 D C 2.115 178.453 176.300 0.063 0.000 0.999 138 D CA 1.534 55.565 54.000 0.052 0.000 0.856 138 D CB -0.700 40.117 40.800 0.029 0.000 0.934 138 D HN 0.088 nan 8.370 nan 0.000 0.453 139 S N -1.109 114.633 115.700 0.069 0.000 2.447 139 S HA -0.037 4.437 4.470 0.006 0.000 0.233 139 S C 1.746 176.404 174.600 0.096 0.000 1.006 139 S CA 0.515 58.755 58.200 0.067 0.000 0.957 139 S CB -0.056 63.178 63.200 0.057 0.000 0.773 139 S HN 0.190 nan 8.310 nan 0.000 0.507 140 I N 0.278 120.929 120.570 0.135 0.000 2.585 140 I HA 0.057 4.231 4.170 0.006 0.000 0.254 140 I C 1.810 178.086 176.117 0.265 0.000 1.129 140 I CA 0.592 62.008 61.300 0.194 0.000 1.455 140 I CB -0.013 38.100 38.000 0.188 0.000 1.111 140 I HN 0.228 nan 8.210 nan 0.000 0.433 141 L N 0.034 121.373 121.223 0.195 0.000 2.209 141 L HA -0.044 4.300 4.340 0.006 0.000 0.207 141 L C 2.650 179.621 176.870 0.169 0.000 1.094 141 L CA 0.769 55.720 54.840 0.184 0.000 0.790 141 L CB -0.435 41.667 42.059 0.071 0.000 0.932 141 L HN 0.160 nan 8.230 nan 0.000 0.447 142 R N 0.644 121.199 120.500 0.093 0.000 2.091 142 R HA -0.157 4.187 4.340 0.006 0.000 0.238 142 R C -0.543 175.765 176.300 0.013 0.000 1.136 142 R CA 1.617 57.731 56.100 0.024 0.000 0.959 142 R CB -0.974 29.330 30.300 0.006 0.000 0.856 142 R HN 0.229 nan 8.270 nan 0.000 0.437 143 P HA -0.073 nan 4.420 nan 0.000 0.221 143 P C 0.563 177.753 177.300 -0.184 0.000 1.150 143 P CA 1.177 64.203 63.100 -0.123 0.000 0.800 143 P CB -0.049 31.510 31.700 -0.236 0.000 0.787 144 F N 0.336 120.319 119.950 0.055 0.000 2.259 144 F HA -0.027 4.504 4.527 0.007 0.000 0.298 144 F C 2.392 178.283 175.800 0.151 0.000 1.088 144 F CA 1.119 59.193 58.000 0.124 0.000 1.358 144 F CB -0.624 38.450 39.000 0.123 0.000 1.040 144 F HN -0.148 nan 8.300 nan 0.000 0.505 145 K N 1.045 121.527 120.400 0.136 0.000 2.026 145 K HA -0.202 4.122 4.320 0.006 0.000 0.208 145 K C 1.786 178.226 176.600 -0.267 0.000 1.048 145 K CA 1.874 58.068 56.287 -0.155 0.000 0.929 145 K CB -0.226 32.080 32.500 -0.324 0.000 0.713 145 K HN 0.267 nan 8.250 nan 0.000 0.439 146 E N -0.214 119.911 120.200 -0.126 0.000 2.085 146 E HA -0.208 4.145 4.350 0.006 0.000 0.194 146 E C 1.861 178.520 176.600 0.097 0.000 0.994 146 E CA 1.434 57.819 56.400 -0.025 0.000 0.801 146 E CB -0.233 29.458 29.700 -0.014 0.000 0.743 146 E HN 0.369 nan 8.360 nan 0.000 0.453 147 F N 1.197 121.128 119.950 -0.031 0.000 2.146 147 F HA -0.169 4.362 4.527 0.006 0.000 0.298 147 F C 2.090 177.954 175.800 0.106 0.000 1.096 147 F CA 0.843 58.830 58.000 -0.022 0.000 1.275 147 F CB -0.028 38.910 39.000 -0.102 0.000 1.008 147 F HN -0.009 nan 8.300 nan 0.000 0.480 148 L N -0.480 120.998 121.223 0.425 0.000 2.093 148 L HA -0.199 4.145 4.340 0.006 0.000 0.208 148 L C 2.003 179.022 176.870 0.249 0.000 1.085 148 L CA 1.782 56.855 54.840 0.388 0.000 0.755 148 L CB -1.215 41.111 42.059 0.444 0.000 0.904 148 L HN 0.144 nan 8.230 nan 0.000 0.435 149 Y N -0.448 119.848 120.300 -0.007 0.000 2.293 149 Y HA -0.091 4.463 4.550 0.006 0.000 0.291 149 Y C 2.813 178.655 175.900 -0.097 0.000 1.137 149 Y CA 0.975 59.036 58.100 -0.064 0.000 1.202 149 Y CB -1.125 37.321 38.460 -0.023 0.000 0.990 149 Y HN 0.238 nan 8.280 nan 0.000 0.537 150 S N -1.117 114.619 115.700 0.061 0.000 2.406 150 S HA -0.171 4.303 4.470 0.006 0.000 0.228 150 S C 1.839 176.375 174.600 -0.107 0.000 1.020 150 S CA 0.773 58.945 58.200 -0.046 0.000 0.965 150 S CB -0.595 62.555 63.200 -0.084 0.000 0.798 150 S HN 0.548 nan 8.310 nan 0.000 0.488 151 Y N 2.913 123.046 120.300 -0.277 0.000 2.163 151 Y HA -0.049 4.505 4.550 0.007 0.000 0.288 151 Y C 1.967 177.685 175.900 -0.303 0.000 1.136 151 Y CA 1.661 59.578 58.100 -0.305 0.000 1.147 151 Y CB -0.173 38.073 38.460 -0.357 0.000 0.987 151 Y HN 0.317 nan 8.280 nan 0.000 0.509 152 I N -2.937 117.498 120.570 -0.225 0.000 3.603 152 I HA 0.351 4.525 4.170 0.006 0.000 0.297 152 I C 1.320 177.275 176.117 -0.271 0.000 1.269 152 I CA 0.833 61.910 61.300 -0.371 0.000 1.361 152 I CB -0.438 37.172 38.000 -0.651 0.000 1.063 152 I HN 0.308 nan 8.210 nan 0.000 0.448 153 G N 2.496 111.170 108.800 -0.210 0.000 2.248 153 G HA2 -0.194 3.769 3.960 0.006 0.000 0.263 153 G HA3 -0.194 3.769 3.960 0.006 0.000 0.263 153 G C 0.039 174.830 174.900 -0.181 0.000 1.082 153 G CA 0.136 45.137 45.100 -0.165 0.000 0.863 153 G HN 0.279 nan 8.290 nan 0.000 0.495 154 V N 1.372 121.136 119.914 -0.250 0.000 2.720 154 V HA 0.178 4.302 4.120 0.006 0.000 0.307 154 V C -0.800 175.177 176.094 -0.195 0.000 1.071 154 V CA -0.222 61.880 62.300 -0.330 0.000 1.199 154 V CB 0.565 31.942 31.823 -0.744 0.000 0.900 154 V HN 0.409 nan 8.190 nan 0.000 0.494 155 P HA 0.112 nan 4.420 nan 0.000 0.265 155 P C 0.105 177.366 177.300 -0.064 0.000 1.193 155 P CA 0.076 63.117 63.100 -0.098 0.000 0.765 155 P CB 0.497 32.135 31.700 -0.103 0.000 0.823 156 K N 1.111 121.493 120.400 -0.030 0.000 2.334 156 K HA 0.177 4.501 4.320 0.006 0.000 0.195 156 K C 1.345 177.945 176.600 0.000 0.000 1.045 156 K CA 0.514 56.800 56.287 -0.002 0.000 1.004 156 K CB 0.353 32.857 32.500 0.007 0.000 0.837 156 K HN 0.599 nan 8.250 nan 0.000 0.510 157 G N 0.832 109.627 108.800 -0.007 0.000 3.286 157 G HA2 0.021 3.985 3.960 0.006 0.000 0.166 157 G HA3 0.021 3.985 3.960 0.006 0.000 0.166 157 G C -0.306 174.589 174.900 -0.007 0.000 1.155 157 G CA -0.175 44.925 45.100 -0.000 0.000 0.871 157 G HN 0.073 nan 8.290 nan 0.000 0.637 158 D N -0.163 120.241 120.400 0.006 0.000 2.355 158 D HA 0.077 4.720 4.640 0.006 0.000 0.206 158 D C 0.587 176.889 176.300 0.003 0.000 1.010 158 D CA 0.142 54.150 54.000 0.013 0.000 0.875 158 D CB -0.083 40.743 40.800 0.044 0.000 0.966 158 D HN 0.444 nan 8.370 nan 0.000 0.512 159 E N 1.856 122.060 120.200 0.007 0.000 2.384 159 E HA 0.128 4.481 4.350 0.006 0.000 0.266 159 E C -1.908 174.649 176.600 -0.071 0.000 1.012 159 E CA -1.280 55.123 56.400 0.005 0.000 0.901 159 E CB 0.727 30.443 29.700 0.026 0.000 0.967 159 E HN 0.134 nan 8.360 nan 0.000 0.435 160 P HA 0.204 nan 4.420 nan 0.000 0.214 160 P C -0.840 176.378 177.300 -0.136 0.000 1.807 160 P CA 0.119 63.086 63.100 -0.223 0.000 0.921 160 P CB -0.020 31.423 31.700 -0.429 0.000 1.835 161 I N 1.294 121.817 120.570 -0.077 0.000 2.509 161 I HA 0.361 4.535 4.170 0.006 0.000 0.293 161 I C 0.430 176.528 176.117 -0.032 0.000 1.020 161 I CA -1.178 60.105 61.300 -0.027 0.000 1.088 161 I CB 2.261 40.267 38.000 0.009 0.000 1.267 161 I HN -0.049 nan 8.210 nan 0.000 0.430 162 L N 5.677 126.890 121.223 -0.018 0.000 2.334 162 L HA 0.500 4.843 4.340 0.006 0.000 0.275 162 L C 0.563 177.407 176.870 -0.042 0.000 1.036 162 L CA -0.619 54.172 54.840 -0.081 0.000 0.807 162 L CB 1.122 43.091 42.059 -0.151 0.000 1.231 162 L HN 0.363 nan 8.230 nan 0.000 0.438 163 K N 3.373 123.717 120.400 -0.092 0.000 2.762 163 K HA 0.324 4.648 4.320 0.006 0.000 0.180 163 K C -2.541 173.970 176.600 -0.148 0.000 1.067 163 K CA -1.789 54.466 56.287 -0.054 0.000 0.973 163 K CB 0.977 33.465 32.500 -0.021 0.000 1.290 163 K HN 0.225 nan 8.250 nan 0.000 0.604 164 P HA -0.039 nan 4.420 nan 0.000 0.267 164 P C 0.132 177.322 177.300 -0.183 0.000 1.200 164 P CA 0.084 63.031 63.100 -0.256 0.000 0.772 164 P CB 0.575 32.105 31.700 -0.283 0.000 0.855 165 S N 2.151 117.714 115.700 -0.228 0.000 2.566 165 S HA -0.049 4.424 4.470 0.006 0.000 0.280 165 S C 1.346 175.901 174.600 -0.075 0.000 1.343 165 S CA -0.537 57.570 58.200 -0.155 0.000 1.036 165 S CB -0.048 63.031 63.200 -0.202 0.000 0.866 165 S HN 0.415 nan 8.310 nan 0.000 0.526 166 L N 2.060 123.286 121.223 0.005 0.000 2.042 166 L HA 0.003 4.346 4.340 0.006 0.000 0.210 166 L C 1.980 178.934 176.870 0.141 0.000 1.076 166 L CA 1.921 56.810 54.840 0.082 0.000 0.749 166 L CB -1.287 40.819 42.059 0.079 0.000 0.893 166 L HN 0.856 nan 8.230 nan 0.000 0.432 167 F N 0.371 120.302 119.950 -0.032 0.000 2.102 167 F HA -0.169 4.362 4.527 0.006 0.000 0.298 167 F C 2.352 178.124 175.800 -0.047 0.000 1.105 167 F CA 1.565 59.557 58.000 -0.013 0.000 1.239 167 F CB -0.876 38.113 39.000 -0.018 0.000 0.991 167 F HN 0.164 nan 8.300 nan 0.000 0.474 168 A N -0.373 122.196 122.820 -0.418 0.000 1.903 168 A HA -0.326 3.998 4.320 0.006 0.000 0.219 168 A C 2.192 179.738 177.584 -0.064 0.000 1.191 168 A CA 2.095 53.785 52.037 -0.578 0.000 0.638 168 A CB -1.842 16.612 19.000 -0.911 0.000 0.823 168 A HN 0.618 nan 8.150 nan 0.000 0.451 169 Y N 0.119 120.368 120.300 -0.085 0.000 2.145 169 Y HA -0.161 4.392 4.550 0.006 0.000 0.286 169 Y C 2.084 178.069 175.900 0.142 0.000 1.145 169 Y CA 1.947 60.093 58.100 0.077 0.000 1.148 169 Y CB -0.199 38.304 38.460 0.072 0.000 0.981 169 Y HN 0.282 nan 8.280 nan 0.000 0.507 170 I N -1.447 119.202 120.570 0.131 0.000 2.353 170 I HA -0.242 3.931 4.170 0.006 0.000 0.248 170 I C 2.107 178.193 176.117 -0.052 0.000 1.119 170 I CA 0.791 62.122 61.300 0.052 0.000 1.417 170 I CB -0.385 37.664 38.000 0.081 0.000 1.078 170 I HN 0.017 nan 8.210 nan 0.000 0.421 171 V N 0.702 120.527 119.914 -0.149 0.000 2.490 171 V HA -0.290 3.834 4.120 0.006 0.000 0.250 171 V C 2.280 178.410 176.094 0.060 0.000 1.061 171 V CA 1.740 63.966 62.300 -0.124 0.000 1.064 171 V CB -0.738 30.919 31.823 -0.277 0.000 0.670 171 V HN 0.378 nan 8.190 nan 0.000 0.461 172 F N 0.471 120.419 119.950 -0.002 0.000 2.102 172 F HA -0.180 4.350 4.527 0.006 0.000 0.298 172 F C 2.045 177.864 175.800 0.033 0.000 1.105 172 F CA 1.583 59.622 58.000 0.066 0.000 1.239 172 F CB -0.410 38.630 39.000 0.065 0.000 0.991 172 F HN 0.032 nan 8.300 nan 0.000 0.474 173 L N -0.075 121.049 121.223 -0.165 0.000 2.012 173 L HA -0.278 4.066 4.340 0.006 0.000 0.210 173 L C 2.511 179.288 176.870 -0.155 0.000 1.073 173 L CA 1.636 56.334 54.840 -0.237 0.000 0.748 173 L CB -0.594 41.373 42.059 -0.153 0.000 0.891 173 L HN 0.188 nan 8.230 nan 0.000 0.431 174 I N -1.111 119.420 120.570 -0.066 0.000 2.226 174 I HA -0.287 3.887 4.170 0.006 0.000 0.245 174 I C 2.424 178.595 176.117 0.091 0.000 1.100 174 I CA 1.475 62.792 61.300 0.027 0.000 1.374 174 I CB -0.565 37.446 38.000 0.019 0.000 1.057 174 I HN 0.278 nan 8.210 nan 0.000 0.413 175 T N 0.934 115.510 114.554 0.037 0.000 2.684 175 T HA -0.182 4.171 4.350 0.006 0.000 0.267 175 T C 1.978 176.678 174.700 -0.000 0.000 1.036 175 T CA 1.308 63.469 62.100 0.102 0.000 1.148 175 T CB -0.135 68.831 68.868 0.163 0.000 0.863 175 T HN 0.157 nan 8.240 nan 0.000 0.436 176 M N 0.507 120.000 119.600 -0.178 0.000 2.080 176 M HA -0.017 4.467 4.480 0.006 0.000 0.260 176 M C 2.143 178.386 176.300 -0.096 0.000 1.068 176 M CA 1.402 56.584 55.300 -0.196 0.000 1.109 176 M CB -1.342 31.054 32.600 -0.340 0.000 1.342 176 M HN 0.286 nan 8.290 nan 0.000 0.405 177 F N 1.165 121.012 119.950 -0.172 0.000 2.126 177 F HA -0.193 4.337 4.527 0.006 0.000 0.299 177 F C 2.115 177.862 175.800 -0.087 0.000 1.096 177 F CA 1.478 59.402 58.000 -0.126 0.000 1.255 177 F CB -0.326 38.611 39.000 -0.105 0.000 0.997 177 F HN 0.026 nan 8.300 nan 0.000 0.479 178 I N 0.221 120.746 120.570 -0.075 0.000 2.252 178 I HA -0.309 3.865 4.170 0.006 0.000 0.245 178 I C 2.309 178.264 176.117 -0.270 0.000 1.102 178 I CA 1.256 62.460 61.300 -0.160 0.000 1.385 178 I CB -0.712 37.347 38.000 0.099 0.000 1.064 178 I HN 0.199 nan 8.210 nan 0.000 0.414 179 N N 0.680 119.267 118.700 -0.188 0.000 2.069 179 N HA -0.160 4.584 4.740 0.006 0.000 0.191 179 N C 1.988 177.355 175.510 -0.238 0.000 1.031 179 N CA 1.428 54.355 53.050 -0.206 0.000 0.852 179 N CB -0.124 38.291 38.487 -0.120 0.000 1.018 179 N HN 0.148 nan 8.380 nan 0.000 0.423 180 V N 1.567 121.331 119.914 -0.250 0.000 2.343 180 V HA -0.218 3.906 4.120 0.006 0.000 0.247 180 V C 2.592 178.492 176.094 -0.324 0.000 1.051 180 V CA 2.073 64.221 62.300 -0.253 0.000 1.036 180 V CB -0.626 31.056 31.823 -0.236 0.000 0.654 180 V HN 0.463 nan 8.190 nan 0.000 0.451 181 S N -0.397 115.016 115.700 -0.477 0.000 2.428 181 S HA -0.074 4.400 4.470 0.006 0.000 0.230 181 S C 1.894 176.308 174.600 -0.310 0.000 1.014 181 S CA 1.323 59.250 58.200 -0.455 0.000 0.957 181 S CB -0.512 62.297 63.200 -0.652 0.000 0.784 181 S HN 0.541 nan 8.310 nan 0.000 0.499 182 I N 1.157 121.530 120.570 -0.328 0.000 2.233 182 I HA -0.064 4.109 4.170 0.006 0.000 0.243 182 I C 2.401 178.390 176.117 -0.214 0.000 1.093 182 I CA 1.072 62.199 61.300 -0.288 0.000 1.380 182 I CB -0.328 37.419 38.000 -0.421 0.000 1.067 182 I HN 0.248 nan 8.210 nan 0.000 0.413 183 L N 0.130 121.232 121.223 -0.202 0.000 2.141 183 L HA -0.165 4.179 4.340 0.006 0.000 0.209 183 L C 2.461 179.239 176.870 -0.154 0.000 1.094 183 L CA 1.159 55.905 54.840 -0.157 0.000 0.763 183 L CB -0.259 41.729 42.059 -0.118 0.000 0.908 183 L HN 0.255 nan 8.230 nan 0.000 0.437 184 I N -0.434 120.041 120.570 -0.159 0.000 2.676 184 I HA -0.219 3.955 4.170 0.006 0.000 0.259 184 I C 2.396 178.429 176.117 -0.141 0.000 1.194 184 I CA 0.940 62.155 61.300 -0.140 0.000 1.473 184 I CB -0.037 37.878 38.000 -0.142 0.000 1.096 184 I HN 0.193 nan 8.210 nan 0.000 0.443 185 R N 0.902 121.314 120.500 -0.148 0.000 2.275 185 R HA 0.185 4.529 4.340 0.006 0.000 0.199 185 R C 0.933 177.136 176.300 -0.160 0.000 0.989 185 R CA 0.597 56.616 56.100 -0.134 0.000 1.016 185 R CB -0.013 30.219 30.300 -0.113 0.000 0.918 185 R HN 0.512 nan 8.270 nan 0.000 0.473 186 G N 0.536 109.217 108.800 -0.197 0.000 2.610 186 G HA2 -0.211 3.753 3.960 0.006 0.000 0.304 186 G HA3 -0.211 3.753 3.960 0.006 0.000 0.304 186 G C 0.383 175.076 174.900 -0.345 0.000 1.309 186 G CA -0.615 44.319 45.100 -0.275 0.000 0.906 186 G HN -0.072 nan 8.290 nan 0.000 0.521 187 I N 1.183 121.428 120.570 -0.542 0.000 2.110 187 I HA -0.129 4.045 4.170 0.006 0.000 0.236 187 I C 3.251 179.086 176.117 -0.470 0.000 1.068 187 I CA 3.011 63.855 61.300 -0.759 0.000 1.333 187 I CB -1.773 35.426 38.000 -1.336 0.000 1.054 187 I HN 0.923 nan 8.210 nan 0.000 0.402 188 S N 1.170 116.651 115.700 -0.365 0.000 2.345 188 S HA -0.121 4.353 4.470 0.006 0.000 0.219 188 S C 1.850 176.405 174.600 -0.075 0.000 1.031 188 S CA 0.737 58.848 58.200 -0.149 0.000 0.984 188 S CB -0.494 62.644 63.200 -0.103 0.000 0.874 188 S HN 0.398 nan 8.310 nan 0.000 0.451 189 K N 1.185 121.522 120.400 -0.104 0.000 2.432 189 K HA 0.194 4.518 4.320 0.006 0.000 0.196 189 K C 1.900 178.467 176.600 -0.056 0.000 1.038 189 K CA 0.677 56.925 56.287 -0.064 0.000 0.986 189 K CB -0.129 32.329 32.500 -0.071 0.000 0.782 189 K HN 0.540 nan 8.250 nan 0.000 0.485 190 G N 1.005 109.751 108.800 -0.090 0.000 2.687 190 G HA2 0.017 3.980 3.960 0.006 0.000 0.222 190 G HA3 0.017 3.980 3.960 0.006 0.000 0.222 190 G C 1.344 176.235 174.900 -0.014 0.000 1.445 190 G CA -0.260 44.792 45.100 -0.079 0.000 0.836 190 G HN -0.021 nan 8.290 nan 0.000 0.598 191 I N 0.804 121.347 120.570 -0.045 0.000 2.202 191 I HA -0.089 4.085 4.170 0.006 0.000 0.242 191 I C 2.671 178.881 176.117 0.155 0.000 1.091 191 I CA 1.515 62.847 61.300 0.054 0.000 1.368 191 I CB -0.189 37.808 38.000 -0.004 0.000 1.058 191 I HN 0.340 nan 8.210 nan 0.000 0.410 192 E N 1.309 121.616 120.200 0.178 0.000 2.031 192 E HA -0.233 4.120 4.350 0.006 0.000 0.193 192 E C 2.463 179.125 176.600 0.104 0.000 0.994 192 E CA 1.165 57.692 56.400 0.211 0.000 0.800 192 E CB 0.046 29.930 29.700 0.305 0.000 0.752 192 E HN 0.283 nan 8.360 nan 0.000 0.447 193 R N -0.403 120.146 120.500 0.082 0.000 2.080 193 R HA -0.174 4.169 4.340 0.006 0.000 0.236 193 R C 2.406 178.745 176.300 0.065 0.000 1.137 193 R CA 1.630 57.767 56.100 0.061 0.000 0.943 193 R CB -0.612 29.722 30.300 0.058 0.000 0.846 193 R HN 0.278 nan 8.270 nan 0.000 0.431 194 F N 1.275 121.198 119.950 -0.046 0.000 2.171 194 F HA -0.167 4.364 4.527 0.006 0.000 0.300 194 F C 2.223 177.966 175.800 -0.095 0.000 1.090 194 F CA 1.339 59.287 58.000 -0.087 0.000 1.293 194 F CB -0.293 38.628 39.000 -0.132 0.000 1.013 194 F HN 0.005 nan 8.300 nan 0.000 0.486 195 A N -0.009 122.774 122.820 -0.062 0.000 1.972 195 A HA -0.189 4.135 4.320 0.006 0.000 0.219 195 A C 2.215 179.686 177.584 -0.188 0.000 1.169 195 A CA 1.640 53.586 52.037 -0.151 0.000 0.635 195 A CB -0.620 18.367 19.000 -0.023 0.000 0.810 195 A HN 0.461 nan 8.150 nan 0.000 0.446 196 K N -0.788 119.536 120.400 -0.126 0.000 2.217 196 K HA 0.073 4.396 4.320 0.006 0.000 0.202 196 K C 1.516 178.048 176.600 -0.113 0.000 1.051 196 K CA 1.078 57.311 56.287 -0.090 0.000 0.952 196 K CB -0.170 32.307 32.500 -0.039 0.000 0.736 196 K HN 0.547 nan 8.250 nan 0.000 0.453 197 I N 0.249 120.700 120.570 -0.198 0.000 2.429 197 I HA -0.122 4.051 4.170 0.006 0.000 0.247 197 I C 2.358 178.335 176.117 -0.234 0.000 1.099 197 I CA 0.613 61.806 61.300 -0.178 0.000 1.422 197 I CB -0.124 37.772 38.000 -0.173 0.000 1.112 197 I HN 0.042 nan 8.210 nan 0.000 0.430 198 A N 0.806 123.270 122.820 -0.593 0.000 1.898 198 A HA -0.156 4.168 4.320 0.006 0.000 0.216 198 A C 2.312 179.830 177.584 -0.111 0.000 1.181 198 A CA 1.334 53.047 52.037 -0.540 0.000 0.620 198 A CB -0.359 17.917 19.000 -1.207 0.000 0.819 198 A HN 0.229 nan 8.150 nan 0.000 0.442 199 M N -0.604 118.923 119.600 -0.122 0.000 2.099 199 M HA -0.041 4.443 4.480 0.006 0.000 0.262 199 M C -0.427 175.923 176.300 0.084 0.000 1.067 199 M CA 1.330 56.630 55.300 0.000 0.000 1.124 199 M CB -2.489 30.094 32.600 -0.029 0.000 1.353 199 M HN 0.141 nan 8.290 nan 0.000 0.410 200 P HA -0.073 nan 4.420 nan 0.000 0.217 200 P C 1.466 178.881 177.300 0.191 0.000 1.150 200 P CA 1.439 64.617 63.100 0.130 0.000 0.832 200 P CB -0.337 31.405 31.700 0.070 0.000 0.787 201 T N -0.085 114.567 114.554 0.162 0.000 2.788 201 T HA -0.118 4.236 4.350 0.006 0.000 0.268 201 T C 1.733 176.530 174.700 0.161 0.000 1.044 201 T CA 0.841 63.047 62.100 0.177 0.000 1.139 201 T CB -0.873 68.147 68.868 0.255 0.000 0.867 201 T HN 0.073 nan 8.240 nan 0.000 0.454 202 L N -0.215 121.122 121.223 0.189 0.000 2.027 202 L HA 0.142 4.486 4.340 0.006 0.000 0.206 202 L C 1.255 178.217 176.870 0.152 0.000 1.074 202 L CA 0.827 55.752 54.840 0.141 0.000 0.745 202 L CB -0.264 41.893 42.059 0.164 0.000 0.898 202 L HN 0.216 nan 8.230 nan 0.000 0.433 206 A N 0.356 123.128 122.820 -0.080 0.000 1.898 206 A HA -0.074 4.250 4.320 0.006 0.000 0.216 206 A C 2.071 179.593 177.584 -0.103 0.000 1.181 206 A CA 2.106 54.111 52.037 -0.054 0.000 0.620 206 A CB -0.554 18.478 19.000 0.052 0.000 0.819 206 A HN 0.118 nan 8.150 nan 0.000 0.442 207 V N -1.147 118.619 119.914 -0.246 0.000 2.287 207 V HA -0.261 3.863 4.120 0.006 0.000 0.248 207 V C 2.274 178.280 176.094 -0.147 0.000 1.053 207 V CA 2.253 64.381 62.300 -0.288 0.000 1.027 207 V CB -0.945 30.586 31.823 -0.487 0.000 0.646 207 V HN 0.623 nan 8.190 nan 0.000 0.447 208 F N 0.223 120.053 119.950 -0.199 0.000 2.091 208 F HA -0.240 4.292 4.527 0.008 0.000 0.299 208 F C 2.058 177.769 175.800 -0.149 0.000 1.103 208 F CA 1.825 59.739 58.000 -0.143 0.000 1.228 208 F CB -0.283 38.656 39.000 -0.103 0.000 0.984 208 F HN 0.032 nan 8.300 nan 0.000 0.477 209 L N -1.049 120.133 121.223 -0.070 0.000 2.056 209 L HA -0.206 4.138 4.340 0.006 0.000 0.207 209 L C 2.377 179.108 176.870 -0.232 0.000 1.078 209 L CA 0.855 55.601 54.840 -0.158 0.000 0.749 209 L CB -0.758 41.303 42.059 0.004 0.000 0.901 209 L HN -0.013 nan 8.230 nan 0.000 0.433 210 V N 0.301 120.069 119.914 -0.243 0.000 2.287 210 V HA -0.333 3.790 4.120 0.006 0.000 0.248 210 V C 2.327 178.083 176.094 -0.563 0.000 1.053 210 V CA 2.019 64.064 62.300 -0.425 0.000 1.027 210 V CB -0.350 31.161 31.823 -0.519 0.000 0.646 210 V HN 0.315 nan 8.190 nan 0.000 0.447 211 I N -0.344 119.954 120.570 -0.453 0.000 2.163 211 I HA -0.289 3.885 4.170 0.006 0.000 0.243 211 I C 2.735 178.684 176.117 -0.280 0.000 1.085 211 I CA 1.951 63.048 61.300 -0.338 0.000 1.347 211 I CB -0.368 37.460 38.000 -0.286 0.000 1.044 211 I HN 0.232 nan 8.210 nan 0.000 0.408 212 R N 0.825 121.064 120.500 -0.435 0.000 2.081 212 R HA -0.115 4.229 4.340 0.006 0.000 0.235 212 R C 2.080 178.276 176.300 -0.172 0.000 1.131 212 R CA 1.507 57.376 56.100 -0.384 0.000 0.960 212 R CB -0.735 29.209 30.300 -0.593 0.000 0.856 212 R HN 0.144 nan 8.270 nan 0.000 0.436 213 V N 0.376 120.219 119.914 -0.118 0.000 2.343 213 V HA -0.227 3.897 4.120 0.006 0.000 0.247 213 V C 2.050 178.277 176.094 0.222 0.000 1.051 213 V CA 2.003 64.340 62.300 0.062 0.000 1.036 213 V CB -0.605 31.270 31.823 0.086 0.000 0.654 213 V HN 0.345 nan 8.190 nan 0.000 0.451 214 F N -0.668 119.253 119.950 -0.049 0.000 2.307 214 F HA -0.171 4.362 4.527 0.010 0.000 0.301 214 F C 1.914 177.695 175.800 -0.031 0.000 1.076 214 F CA 0.705 58.688 58.000 -0.029 0.000 1.383 214 F CB -0.057 38.924 39.000 -0.031 0.000 1.055 214 F HN 0.189 nan 8.300 nan 0.000 0.526 215 L N -0.057 121.243 121.223 0.128 0.000 2.591 215 L HA 0.042 4.386 4.340 0.006 0.000 0.228 215 L C 0.426 177.319 176.870 0.037 0.000 1.133 215 L CA -0.059 54.810 54.840 0.049 0.000 0.880 215 L CB -0.234 41.829 42.059 0.006 0.000 1.033 215 L HN 0.016 nan 8.230 nan 0.000 0.450 216 L N 0.900 122.166 121.223 0.071 0.000 2.380 216 L HA 0.201 4.545 4.340 0.006 0.000 0.273 216 L C 0.114 176.989 176.870 0.008 0.000 1.138 216 L CA 0.278 55.171 54.840 0.088 0.000 0.832 216 L CB 0.738 42.929 42.059 0.219 0.000 1.124 216 L HN 0.103 nan 8.230 nan 0.000 0.454 217 E N 2.361 122.519 120.200 -0.069 0.000 2.311 217 E HA 0.479 4.833 4.350 0.006 0.000 0.281 217 E C -1.101 175.348 176.600 -0.252 0.000 0.905 217 E CA -0.596 55.723 56.400 -0.134 0.000 0.778 217 E CB 1.846 31.493 29.700 -0.087 0.000 1.240 217 E HN 0.623 nan 8.360 nan 0.000 0.410 218 T N 0.513 114.874 114.554 -0.323 0.000 2.804 218 T HA 0.515 4.869 4.350 0.006 0.000 0.290 218 T C -2.135 172.409 174.700 -0.260 0.000 1.099 218 T CA -1.646 60.209 62.100 -0.409 0.000 1.011 218 T CB 1.237 69.660 68.868 -0.742 0.000 1.291 218 T HN 0.207 nan 8.240 nan 0.000 0.523 219 P HA 0.076 nan 4.420 nan 0.000 0.225 219 P C 0.877 178.097 177.300 -0.133 0.000 1.148 219 P CA 0.655 63.666 63.100 -0.149 0.000 0.779 219 P CB 0.006 31.632 31.700 -0.123 0.000 0.780 220 N N -1.007 117.593 118.700 -0.168 0.000 2.353 220 N HA 0.168 4.911 4.740 0.006 0.000 0.185 220 N C 1.089 176.534 175.510 -0.109 0.000 1.098 220 N CA 0.830 53.808 53.050 -0.120 0.000 0.872 220 N CB 0.763 39.182 38.487 -0.113 0.000 0.970 220 N HN 0.155 nan 8.380 nan 0.000 0.467 221 G N -0.431 108.289 108.800 -0.134 0.000 2.343 221 G HA2 0.187 4.151 3.960 0.006 0.000 0.289 221 G HA3 0.187 4.151 3.960 0.006 0.000 0.289 221 G C -1.265 173.573 174.900 -0.104 0.000 1.295 221 G CA -0.329 44.712 45.100 -0.098 0.000 0.869 221 G HN 0.143 nan 8.290 nan 0.000 0.522 222 T N -2.739 111.773 114.554 -0.069 0.000 2.916 222 T HA 0.748 5.102 4.350 0.006 0.000 0.292 222 T C 1.672 176.350 174.700 -0.037 0.000 1.064 222 T CA 0.685 62.750 62.100 -0.059 0.000 1.011 222 T CB 1.598 70.425 68.868 -0.068 0.000 1.152 222 T HN 2.126 nan 8.240 nan 0.000 0.510 223 A N 1.090 123.894 122.820 -0.027 0.000 1.948 223 A HA 0.086 4.410 4.320 0.006 0.000 0.220 223 A C 2.589 180.112 177.584 -0.102 0.000 1.177 223 A CA 2.450 54.472 52.037 -0.025 0.000 0.636 223 A CB -1.600 17.395 19.000 -0.008 0.000 0.815 223 A HN 1.427 nan 8.150 nan 0.000 0.449 224 A N -0.012 122.710 122.820 -0.163 0.000 1.933 224 A HA -0.193 4.131 4.320 0.006 0.000 0.218 224 A C 1.670 179.228 177.584 -0.043 0.000 1.175 224 A CA 1.810 53.753 52.037 -0.156 0.000 0.628 224 A CB -0.584 18.326 19.000 -0.150 0.000 0.814 224 A HN 0.506 nan 8.150 nan 0.000 0.444 225 D N -0.247 120.140 120.400 -0.021 0.000 2.221 225 D HA -0.093 4.550 4.640 0.006 0.000 0.204 225 D C 1.917 178.263 176.300 0.076 0.000 0.982 225 D CA 1.375 55.388 54.000 0.023 0.000 0.857 225 D CB -0.525 40.276 40.800 0.001 0.000 0.934 225 D HN 0.487 nan 8.370 nan 0.000 0.475 226 G N 0.427 109.269 108.800 0.070 0.000 2.408 226 G HA2 -0.087 3.877 3.960 0.006 0.000 0.215 226 G HA3 -0.087 3.877 3.960 0.006 0.000 0.215 226 G C 1.787 176.809 174.900 0.204 0.000 1.156 226 G CA -0.054 45.124 45.100 0.131 0.000 0.793 226 G HN 0.226 nan 8.290 nan 0.000 0.535 227 L N 0.593 121.914 121.223 0.162 0.000 2.056 227 L HA -0.068 4.275 4.340 0.006 0.000 0.207 227 L C 2.711 179.754 176.870 0.289 0.000 1.078 227 L CA 0.738 55.736 54.840 0.263 0.000 0.749 227 L CB -0.425 41.724 42.059 0.151 0.000 0.901 227 L HN 0.110 nan 8.230 nan 0.000 0.433 228 N N 0.144 118.953 118.700 0.181 0.000 2.104 228 N HA -0.242 4.502 4.740 0.006 0.000 0.190 228 N C 1.765 177.373 175.510 0.163 0.000 1.024 228 N CA 1.474 54.622 53.050 0.163 0.000 0.853 228 N CB -0.393 38.162 38.487 0.113 0.000 1.008 228 N HN 0.250 nan 8.380 nan 0.000 0.424 229 F N 1.277 121.244 119.950 0.027 0.000 2.216 229 F HA -0.107 4.422 4.527 0.003 0.000 0.300 229 F C 1.994 177.754 175.800 -0.066 0.000 1.085 229 F CA 0.791 58.780 58.000 -0.019 0.000 1.326 229 F CB -0.171 38.808 39.000 -0.035 0.000 1.027 229 F HN -0.018 nan 8.300 nan 0.000 0.497 230 L N -1.344 119.750 121.223 -0.215 0.000 2.202 230 L HA 0.068 4.412 4.340 0.006 0.000 0.205 230 L C 0.923 177.437 176.870 -0.593 0.000 1.083 230 L CA 1.465 55.997 54.840 -0.514 0.000 0.790 230 L CB -0.785 41.037 42.059 -0.395 0.000 0.942 230 L HN 0.189 nan 8.230 nan 0.000 0.452 231 W N -0.285 120.960 121.300 -0.092 0.000 3.223 231 W HA 0.329 4.991 4.660 0.003 0.000 0.389 231 W C 0.124 176.599 176.519 -0.073 0.000 1.118 231 W CA -0.367 56.943 57.345 -0.059 0.000 1.902 231 W CB 0.287 29.741 29.460 -0.010 0.000 1.094 231 W HN -0.148 nan 8.180 nan 0.000 0.666 232 T N 1.894 116.462 114.554 0.024 0.000 2.788 232 T HA 0.260 4.613 4.350 0.006 0.000 0.296 232 T C -2.383 172.250 174.700 -0.111 0.000 1.009 232 T CA -1.634 60.467 62.100 0.001 0.000 0.949 232 T CB 1.336 70.217 68.868 0.021 0.000 0.946 232 T HN -0.438 nan 8.240 nan 0.000 0.453 233 P HA 0.177 nan 4.420 nan 0.000 0.267 233 P C -0.662 176.441 177.300 -0.330 0.000 1.200 233 P CA -0.073 62.805 63.100 -0.370 0.000 0.772 233 P CB 0.456 31.836 31.700 -0.532 0.000 0.855 234 D N 1.785 121.930 120.400 -0.424 0.000 2.358 234 D HA 0.177 4.820 4.640 0.006 0.000 0.253 234 D C -0.176 175.988 176.300 -0.228 0.000 1.288 234 D CA -0.490 53.391 54.000 -0.198 0.000 0.950 234 D CB -0.047 40.678 40.800 -0.125 0.000 1.197 234 D HN 0.057 nan 8.370 nan 0.000 0.550 235 F N 1.515 121.481 119.950 0.026 0.000 2.604 235 F HA 0.065 4.594 4.527 0.003 0.000 0.298 235 F C 1.979 177.812 175.800 0.054 0.000 1.131 235 F CA 0.449 58.474 58.000 0.043 0.000 1.457 235 F CB 0.088 39.117 39.000 0.048 0.000 1.095 235 F HN 0.385 nan 8.300 nan 0.000 0.574 236 E N 0.228 120.527 120.200 0.164 0.000 2.110 236 E HA -0.174 4.179 4.350 0.006 0.000 0.193 236 E C 1.895 178.552 176.600 0.095 0.000 0.988 236 E CA 0.911 57.381 56.400 0.117 0.000 0.804 236 E CB -0.085 29.665 29.700 0.083 0.000 0.745 236 E HN 0.194 nan 8.360 nan 0.000 0.458 237 K N 0.545 120.976 120.400 0.052 0.000 2.305 237 K HA 0.051 4.375 4.320 0.006 0.000 0.199 237 K C 2.041 178.687 176.600 0.076 0.000 1.047 237 K CA 0.290 56.599 56.287 0.038 0.000 0.976 237 K CB -0.076 32.408 32.500 -0.026 0.000 0.765 237 K HN 0.200 nan 8.250 nan 0.000 0.474 238 L N 0.830 122.112 121.223 0.097 0.000 2.270 238 L HA -0.221 4.122 4.340 0.006 0.000 0.217 238 L C 1.651 178.787 176.870 0.444 0.000 1.107 238 L CA 1.315 56.307 54.840 0.254 0.000 0.772 238 L CB -0.431 41.807 42.059 0.299 0.000 0.902 238 L HN 0.069 nan 8.230 nan 0.000 0.439 239 K N -0.414 120.147 120.400 0.268 0.000 2.366 239 K HA -0.027 4.297 4.320 0.006 0.000 0.198 239 K C 0.381 177.104 176.600 0.206 0.000 1.044 239 K CA 0.143 56.558 56.287 0.213 0.000 0.973 239 K CB -0.293 32.288 32.500 0.135 0.000 0.767 239 K HN 0.084 nan 8.250 nan 0.000 0.475 240 D N 0.179 120.711 120.400 0.221 0.000 2.317 240 D HA 0.062 4.706 4.640 0.006 0.000 0.252 240 D C -1.884 174.584 176.300 0.281 0.000 1.174 240 D CA -2.329 51.782 54.000 0.185 0.000 0.866 240 D CB 1.362 42.236 40.800 0.124 0.000 1.127 240 D HN -0.125 nan 8.370 nan 0.000 0.467 241 P HA -0.025 nan 4.420 nan 0.000 0.218 241 P C 1.340 178.770 177.300 0.217 0.000 1.149 241 P CA 0.872 64.095 63.100 0.204 0.000 0.817 241 P CB 0.183 31.934 31.700 0.085 0.000 0.785 242 G N -0.008 108.884 108.800 0.153 0.000 2.440 242 G HA2 -0.238 3.726 3.960 0.006 0.000 0.218 242 G HA3 -0.238 3.726 3.960 0.006 0.000 0.218 242 G C 1.615 176.601 174.900 0.143 0.000 1.154 242 G CA 0.770 45.944 45.100 0.124 0.000 0.767 242 G HN 0.166 nan 8.290 nan 0.000 0.552 243 V N -0.461 119.534 119.914 0.134 0.000 2.343 243 V HA -0.184 3.940 4.120 0.006 0.000 0.247 243 V C 2.440 178.551 176.094 0.027 0.000 1.051 243 V CA 1.810 64.156 62.300 0.078 0.000 1.036 243 V CB -0.637 31.166 31.823 -0.033 0.000 0.654 243 V HN 0.572 nan 8.190 nan 0.000 0.451 244 W N -0.260 121.077 121.300 0.062 0.000 2.381 244 W HA -0.043 4.621 4.660 0.007 0.000 0.301 244 W C 2.365 178.930 176.519 0.075 0.000 1.205 244 W CA 1.000 58.375 57.345 0.049 0.000 1.285 244 W CB -0.421 29.041 29.460 0.002 0.000 1.133 244 W HN 0.137 nan 8.180 nan 0.000 0.521 245 I N -0.066 120.665 120.570 0.269 0.000 2.226 245 I HA -0.300 3.874 4.170 0.006 0.000 0.245 245 I C 2.510 178.748 176.117 0.202 0.000 1.100 245 I CA 1.374 62.791 61.300 0.195 0.000 1.374 245 I CB -1.005 37.077 38.000 0.137 0.000 1.057 245 I HN -0.028 nan 8.210 nan 0.000 0.413 246 A N 0.881 123.830 122.820 0.214 0.000 1.873 246 A HA -0.102 4.222 4.320 0.006 0.000 0.215 246 A C 2.594 180.410 177.584 0.387 0.000 1.186 246 A CA 1.657 53.858 52.037 0.274 0.000 0.616 246 A CB -0.862 18.302 19.000 0.274 0.000 0.823 246 A HN 0.399 nan 8.150 nan 0.000 0.442 247 A N -0.502 122.477 122.820 0.265 0.000 1.892 247 A HA -0.085 4.239 4.320 0.006 0.000 0.218 247 A C 2.248 179.947 177.584 0.193 0.000 1.188 247 A CA 2.107 54.147 52.037 0.005 0.000 0.631 247 A CB -1.017 17.732 19.000 -0.419 0.000 0.822 247 A HN 0.432 nan 8.150 nan 0.000 0.447 248 V N -0.272 119.801 119.914 0.264 0.000 2.379 248 V HA -0.123 4.001 4.120 0.006 0.000 0.245 248 V C 2.831 179.191 176.094 0.443 0.000 1.044 248 V CA 1.784 64.302 62.300 0.363 0.000 1.036 248 V CB -1.472 30.610 31.823 0.432 0.000 0.664 248 V HN 0.622 nan 8.190 nan 0.000 0.453 249 G N -0.584 108.419 108.800 0.339 0.000 2.440 249 G HA2 -0.383 3.580 3.960 0.006 0.000 0.218 249 G HA3 -0.383 3.580 3.960 0.006 0.000 0.218 249 G C 1.523 176.680 174.900 0.428 0.000 1.154 249 G CA 1.253 46.542 45.100 0.314 0.000 0.767 249 G HN 0.509 nan 8.290 nan 0.000 0.552 250 Q N 0.192 120.249 119.800 0.429 0.000 2.084 250 Q HA -0.066 4.278 4.340 0.006 0.000 0.202 250 Q C 2.466 178.769 176.000 0.506 0.000 0.978 250 Q CA 1.050 57.157 55.803 0.505 0.000 0.844 250 Q CB -0.338 28.790 28.738 0.649 0.000 0.898 250 Q HN 0.384 nan 8.270 nan 0.000 0.426 251 I N 0.031 120.824 120.570 0.372 0.000 2.163 251 I HA -0.264 3.909 4.170 0.006 0.000 0.243 251 I C 2.025 178.295 176.117 0.255 0.000 1.085 251 I CA 1.470 62.886 61.300 0.193 0.000 1.347 251 I CB -1.215 36.793 38.000 0.013 0.000 1.044 251 I HN 0.230 nan 8.210 nan 0.000 0.408 252 F N 0.177 120.272 119.950 0.242 0.000 2.075 252 F HA -0.283 4.248 4.527 0.006 0.000 0.297 252 F C 2.539 178.580 175.800 0.402 0.000 1.113 252 F CA 1.817 59.980 58.000 0.271 0.000 1.218 252 F CB -0.773 38.371 39.000 0.241 0.000 0.984 252 F HN -0.076 nan 8.300 nan 0.000 0.472 253 F N 0.215 120.493 119.950 0.547 0.000 2.069 253 F HA -0.276 4.255 4.527 0.006 0.000 0.298 253 F C 2.749 178.694 175.800 0.241 0.000 1.113 253 F CA 2.216 60.501 58.000 0.475 0.000 1.214 253 F CB -0.914 38.318 39.000 0.386 0.000 0.978 253 F HN -0.126 nan 8.300 nan 0.000 0.474 254 T N -0.090 114.740 114.554 0.460 0.000 2.867 254 T HA -0.084 4.270 4.350 0.006 0.000 0.268 254 T C 1.802 176.557 174.700 0.091 0.000 1.057 254 T CA 1.254 63.517 62.100 0.272 0.000 1.136 254 T CB -0.322 68.714 68.868 0.280 0.000 0.874 254 T HN 0.221 nan 8.240 nan 0.000 0.466 255 L N 0.739 122.019 121.223 0.095 0.000 2.591 255 L HA 0.221 4.565 4.340 0.006 0.000 0.228 255 L C 0.952 177.805 176.870 -0.029 0.000 1.133 255 L CA 0.083 54.937 54.840 0.023 0.000 0.880 255 L CB -0.042 42.028 42.059 0.017 0.000 1.033 255 L HN 0.168 nan 8.230 nan 0.000 0.450 256 S N 0.058 115.711 115.700 -0.078 0.000 3.635 256 S HA -0.160 4.313 4.470 0.006 0.000 0.328 256 S C 0.245 174.987 174.600 0.235 0.000 1.135 256 S CA 0.334 58.424 58.200 -0.184 0.000 0.942 256 S CB -2.173 60.821 63.200 -0.344 0.000 0.930 256 S HN 0.291 nan 8.310 nan 0.000 0.512 257 L N 0.699 122.121 121.223 0.331 0.000 2.326 257 L HA 0.574 4.918 4.340 0.006 0.000 0.278 257 L C 1.499 178.676 176.870 0.512 0.000 1.092 257 L CA 0.468 55.462 54.840 0.256 0.000 0.810 257 L CB 0.718 42.692 42.059 -0.141 0.000 1.153 257 L HN 0.490 nan 8.230 nan 0.000 0.439 258 G N 2.178 111.224 108.800 0.409 0.000 2.143 258 G HA2 -0.309 3.655 3.960 0.006 0.000 0.249 258 G HA3 -0.309 3.655 3.960 0.006 0.000 0.249 258 G C 0.237 175.259 174.900 0.203 0.000 0.981 258 G CA 0.070 45.425 45.100 0.426 0.000 0.665 258 G HN 0.588 nan 8.290 nan 0.000 0.528 259 F N 0.438 120.495 119.950 0.180 0.000 2.653 259 F HA 0.420 4.951 4.527 0.006 0.000 0.304 259 F C 2.051 177.852 175.800 0.002 0.000 1.092 259 F CA 0.513 58.531 58.000 0.030 0.000 1.279 259 F CB 0.841 39.787 39.000 -0.091 0.000 1.044 259 F HN 0.563 nan 8.300 nan 0.000 0.564 260 G N 0.762 109.726 108.800 0.273 0.000 2.196 260 G HA2 -0.398 3.566 3.960 0.006 0.000 0.268 260 G HA3 -0.398 3.566 3.960 0.006 0.000 0.268 260 G C 1.261 176.203 174.900 0.070 0.000 0.975 260 G CA 0.631 45.838 45.100 0.178 0.000 0.648 260 G HN 0.527 nan 8.290 nan 0.000 0.538 261 A N -0.113 122.720 122.820 0.021 0.000 1.911 261 A HA 0.455 4.779 4.320 0.006 0.000 0.212 261 A C 2.308 179.764 177.584 -0.212 0.000 1.189 261 A CA 1.537 53.491 52.037 -0.138 0.000 0.639 261 A CB -0.181 18.651 19.000 -0.280 0.000 0.839 261 A HN 0.402 nan 8.150 nan 0.000 0.449 262 I N 0.594 121.065 120.570 -0.166 0.000 2.208 262 I HA -0.240 3.933 4.170 0.006 0.000 0.245 262 I C 2.403 178.412 176.117 -0.180 0.000 1.097 262 I CA 1.349 62.514 61.300 -0.224 0.000 1.363 262 I CB -1.154 36.759 38.000 -0.146 0.000 1.051 262 I HN 0.304 nan 8.210 nan 0.000 0.413 263 I N 0.414 120.945 120.570 -0.065 0.000 2.163 263 I HA -0.315 3.859 4.170 0.006 0.000 0.243 263 I C 2.479 178.579 176.117 -0.029 0.000 1.085 263 I CA 1.639 62.918 61.300 -0.034 0.000 1.347 263 I CB -0.613 37.401 38.000 0.023 0.000 1.044 263 I HN 0.219 nan 8.210 nan 0.000 0.408 264 T N -0.210 114.353 114.554 0.014 0.000 2.737 264 T HA -0.184 4.170 4.350 0.006 0.000 0.265 264 T C 1.841 176.636 174.700 0.158 0.000 1.038 264 T CA 1.310 63.441 62.100 0.052 0.000 1.144 264 T CB -0.369 68.574 68.868 0.125 0.000 0.866 264 T HN 0.160 nan 8.240 nan 0.000 0.434 265 Y N 1.631 121.962 120.300 0.052 0.000 2.165 265 Y HA -0.021 4.533 4.550 0.006 0.000 0.286 265 Y C 2.723 178.724 175.900 0.169 0.000 1.155 265 Y CA 0.166 58.417 58.100 0.252 0.000 1.164 265 Y CB -1.167 37.371 38.460 0.129 0.000 0.978 265 Y HN 0.217 nan 8.280 nan 0.000 0.513 266 A N -0.598 122.221 122.820 -0.002 0.000 2.015 266 A HA -0.149 4.175 4.320 0.006 0.000 0.219 266 A C 2.389 179.992 177.584 0.032 0.000 1.163 266 A CA 1.616 53.611 52.037 -0.069 0.000 0.646 266 A CB -0.970 17.933 19.000 -0.161 0.000 0.806 266 A HN 0.462 nan 8.150 nan 0.000 0.448 267 S N -1.484 114.140 115.700 -0.126 0.000 2.547 267 S HA -0.096 4.378 4.470 0.006 0.000 0.235 267 S C 1.202 175.523 174.600 -0.466 0.000 0.980 267 S CA 0.907 58.934 58.200 -0.289 0.000 0.941 267 S CB -0.684 62.267 63.200 -0.415 0.000 0.763 267 S HN 0.583 nan 8.310 nan 0.000 0.532 268 Y N 1.014 121.332 120.300 0.030 0.000 2.457 268 Y HA 0.459 5.013 4.550 0.006 0.000 0.263 268 Y C 0.676 176.719 175.900 0.238 0.000 1.164 268 Y CA -0.942 57.073 58.100 -0.142 0.000 1.274 268 Y CB -0.165 37.859 38.460 -0.726 0.000 1.097 268 Y HN 0.082 nan 8.280 nan 0.000 0.523 269 V N 2.495 122.692 119.914 0.470 0.000 2.508 269 V HA 0.094 4.217 4.120 0.006 0.000 0.281 269 V C 0.638 176.931 176.094 0.331 0.000 1.041 269 V CA -0.964 61.627 62.300 0.486 0.000 1.016 269 V CB 0.462 32.520 31.823 0.392 0.000 0.984 269 V HN 0.251 nan 8.190 nan 0.000 0.478 270 R N 3.562 124.186 120.500 0.208 0.000 2.638 270 R HA -0.016 4.328 4.340 0.006 0.000 0.268 270 R C 1.673 178.010 176.300 0.061 0.000 1.006 270 R CA -0.085 56.002 56.100 -0.022 0.000 1.088 270 R CB 0.325 30.518 30.300 -0.179 0.000 0.950 270 R HN 0.639 nan 8.270 nan 0.000 0.419 271 K N 1.770 122.195 120.400 0.042 0.000 2.144 271 K HA -0.262 4.061 4.320 0.006 0.000 0.209 271 K C 0.070 176.710 176.600 0.066 0.000 1.047 271 K CA 1.983 58.308 56.287 0.063 0.000 0.927 271 K CB 0.164 32.687 32.500 0.038 0.000 0.716 271 K HN 0.556 nan 8.250 nan 0.000 0.454 272 D N -0.196 120.229 120.400 0.041 0.000 2.433 272 D HA -0.013 4.631 4.640 0.006 0.000 0.211 272 D C 0.080 176.403 176.300 0.038 0.000 1.114 272 D CA 0.007 54.029 54.000 0.037 0.000 0.837 272 D CB 0.432 41.244 40.800 0.019 0.000 0.984 272 D HN 0.300 nan 8.370 nan 0.000 0.505 273 Q N 1.835 121.668 119.800 0.055 0.000 2.364 273 Q HA -0.014 4.330 4.340 0.006 0.000 0.267 273 Q C 0.123 176.166 176.000 0.072 0.000 0.999 273 Q CA -0.123 55.719 55.803 0.066 0.000 0.886 273 Q CB 0.982 29.778 28.738 0.097 0.000 1.243 273 Q HN 0.114 nan 8.270 nan 0.000 0.415 274 D N 3.336 123.759 120.400 0.038 0.000 2.488 274 D HA -0.068 4.576 4.640 0.006 0.000 0.238 274 D C 0.585 176.896 176.300 0.019 0.000 1.138 274 D CA 0.313 54.315 54.000 0.002 0.000 0.873 274 D CB 0.571 41.351 40.800 -0.034 0.000 1.183 274 D HN 0.677 nan 8.370 nan 0.000 0.458 275 I N 0.631 121.185 120.570 -0.027 0.000 4.288 275 I HA 0.013 4.187 4.170 0.006 0.000 0.331 275 I C 1.351 177.294 176.117 -0.289 0.000 1.322 275 I CA -0.462 60.771 61.300 -0.112 0.000 1.149 275 I CB 0.371 38.468 38.000 0.161 0.000 1.112 275 I HN 0.155 nan 8.210 nan 0.000 0.403 276 V N 1.430 121.212 119.914 -0.220 0.000 2.323 276 V HA -0.185 3.939 4.120 0.006 0.000 0.244 276 V C 2.436 178.499 176.094 -0.052 0.000 1.041 276 V CA 1.870 64.030 62.300 -0.234 0.000 1.025 276 V CB -0.431 31.150 31.823 -0.403 0.000 0.656 276 V HN 0.440 nan 8.190 nan 0.000 0.451 277 L N -0.117 121.038 121.223 -0.114 0.000 2.049 277 L HA -0.033 4.311 4.340 0.006 0.000 0.203 277 L C 2.568 179.348 176.870 -0.149 0.000 1.074 277 L CA 1.934 56.728 54.840 -0.076 0.000 0.749 277 L CB -0.757 41.263 42.059 -0.065 0.000 0.907 277 L HN 0.235 nan 8.230 nan 0.000 0.439 278 S N -0.067 115.490 115.700 -0.238 0.000 2.372 278 S HA -0.203 4.271 4.470 0.006 0.000 0.227 278 S C 1.894 176.115 174.600 -0.631 0.000 1.044 278 S CA 1.369 59.368 58.200 -0.335 0.000 1.050 278 S CB -1.089 61.926 63.200 -0.308 0.000 0.901 278 S HN 0.717 nan 8.310 nan 0.000 0.447 279 G N 1.323 109.484 108.800 -1.066 0.000 2.421 279 G HA2 -0.181 3.783 3.960 0.006 0.000 0.216 279 G HA3 -0.181 3.783 3.960 0.006 0.000 0.216 279 G C 1.391 175.985 174.900 -0.510 0.000 1.171 279 G CA 1.039 45.422 45.100 -1.195 0.000 0.775 279 G HN 0.448 nan 8.290 nan 0.000 0.543 280 L N 0.879 121.923 121.223 -0.299 0.000 2.093 280 L HA 0.049 4.392 4.340 0.006 0.000 0.208 280 L C 2.818 179.621 176.870 -0.112 0.000 1.085 280 L CA 2.480 57.191 54.840 -0.214 0.000 0.755 280 L CB -0.864 41.195 42.059 0.000 0.000 0.904 280 L HN 0.170 nan 8.230 nan 0.000 0.435 281 T N -0.101 114.395 114.554 -0.097 0.000 2.737 281 T HA -0.106 4.248 4.350 0.006 0.000 0.265 281 T C 1.940 176.623 174.700 -0.027 0.000 1.038 281 T CA 1.288 63.358 62.100 -0.050 0.000 1.144 281 T CB -0.526 68.310 68.868 -0.053 0.000 0.866 281 T HN 0.523 nan 8.240 nan 0.000 0.434 282 A N 1.706 124.520 122.820 -0.010 0.000 1.865 282 A HA 0.061 4.384 4.320 0.006 0.000 0.217 282 A C 2.676 180.282 177.584 0.036 0.000 1.191 282 A CA 2.055 54.125 52.037 0.055 0.000 0.623 282 A CB -1.281 17.844 19.000 0.208 0.000 0.826 282 A HN 0.509 nan 8.150 nan 0.000 0.444 283 A N -1.194 121.634 122.820 0.013 0.000 1.908 283 A HA -0.131 4.192 4.320 0.006 0.000 0.218 283 A C 2.319 179.946 177.584 0.072 0.000 1.181 283 A CA 2.479 54.549 52.037 0.055 0.000 0.627 283 A CB -1.290 17.700 19.000 -0.017 0.000 0.818 283 A HN 0.457 nan 8.150 nan 0.000 0.445 284 T N 0.184 114.764 114.554 0.044 0.000 2.857 284 T HA 0.022 4.375 4.350 0.006 0.000 0.266 284 T C 1.806 176.486 174.700 -0.034 0.000 1.048 284 T CA 1.157 63.263 62.100 0.010 0.000 1.139 284 T CB -0.314 68.569 68.868 0.026 0.000 0.874 284 T HN 0.348 nan 8.240 nan 0.000 0.455 285 L N 1.245 122.456 121.223 -0.021 0.000 2.042 285 L HA -0.151 4.193 4.340 0.006 0.000 0.210 285 L C 2.598 179.453 176.870 -0.024 0.000 1.076 285 L CA 1.400 56.227 54.840 -0.022 0.000 0.749 285 L CB -0.590 41.458 42.059 -0.018 0.000 0.893 285 L HN 0.300 nan 8.230 nan 0.000 0.432 286 N N -0.235 118.449 118.700 -0.026 0.000 2.084 286 N HA -0.219 4.524 4.740 0.006 0.000 0.190 286 N C 1.815 177.261 175.510 -0.106 0.000 1.030 286 N CA 1.252 54.276 53.050 -0.045 0.000 0.849 286 N CB 0.102 38.575 38.487 -0.022 0.000 1.012 286 N HN 0.144 nan 8.380 nan 0.000 0.423 287 E N 0.642 120.744 120.200 -0.163 0.000 2.118 287 E HA -0.170 4.183 4.350 0.006 0.000 0.195 287 E C 1.821 178.317 176.600 -0.174 0.000 0.992 287 E CA 1.012 57.259 56.400 -0.255 0.000 0.804 287 E CB -0.179 29.200 29.700 -0.535 0.000 0.741 287 E HN 0.518 nan 8.360 nan 0.000 0.458 288 K N 0.553 120.890 120.400 -0.106 0.000 2.026 288 K HA -0.041 4.283 4.320 0.006 0.000 0.208 288 K C 2.194 178.777 176.600 -0.028 0.000 1.048 288 K CA 1.187 57.450 56.287 -0.039 0.000 0.929 288 K CB -0.173 32.329 32.500 0.003 0.000 0.713 288 K HN 0.061 nan 8.250 nan 0.000 0.439 289 A N 1.413 124.215 122.820 -0.030 0.000 1.908 289 A HA -0.258 4.066 4.320 0.006 0.000 0.218 289 A C 2.085 179.523 177.584 -0.244 0.000 1.181 289 A CA 1.896 53.907 52.037 -0.043 0.000 0.627 289 A CB -0.450 18.556 19.000 0.010 0.000 0.818 289 A HN 0.395 nan 8.150 nan 0.000 0.445 290 E N -0.289 119.725 120.200 -0.310 0.000 2.015 290 E HA -0.136 4.217 4.350 0.006 0.000 0.191 290 E C 1.978 178.226 176.600 -0.588 0.000 0.991 290 E CA 2.076 58.163 56.400 -0.521 0.000 0.802 290 E CB -0.163 29.223 29.700 -0.524 0.000 0.759 290 E HN 0.515 nan 8.360 nan 0.000 0.447 291 V N -1.351 118.322 119.914 -0.401 0.000 2.599 291 V HA 0.019 4.143 4.120 0.006 0.000 0.245 291 V C 2.080 178.262 176.094 0.146 0.000 1.046 291 V CA 0.971 63.147 62.300 -0.207 0.000 1.065 291 V CB -0.386 31.448 31.823 0.018 0.000 0.703 291 V HN 0.239 nan 8.190 nan 0.000 0.464 292 I N -0.082 120.548 120.570 0.100 0.000 2.296 292 I HA -0.021 4.153 4.170 0.006 0.000 0.242 292 I C 2.512 178.698 176.117 0.115 0.000 1.087 292 I CA 1.455 62.842 61.300 0.145 0.000 1.393 292 I CB -0.252 37.804 38.000 0.093 0.000 1.093 292 I HN 0.224 nan 8.210 nan 0.000 0.421 293 L N 0.304 121.568 121.223 0.069 0.000 2.062 293 L HA 0.076 4.419 4.340 0.006 0.000 0.202 293 L C 2.725 179.705 176.870 0.182 0.000 1.079 293 L CA 1.424 56.341 54.840 0.129 0.000 0.755 293 L CB -1.305 40.883 42.059 0.215 0.000 0.913 293 L HN 0.262 nan 8.230 nan 0.000 0.445 294 G N -0.125 108.657 108.800 -0.030 0.000 2.422 294 G HA2 -0.194 3.770 3.960 0.006 0.000 0.218 294 G HA3 -0.194 3.770 3.960 0.006 0.000 0.218 294 G C 1.550 176.565 174.900 0.193 0.000 1.146 294 G CA 0.794 45.901 45.100 0.011 0.000 0.769 294 G HN 0.498 nan 8.290 nan 0.000 0.547 295 G N 0.208 109.111 108.800 0.172 0.000 2.448 295 G HA2 -0.018 3.946 3.960 0.006 0.000 0.218 295 G HA3 -0.018 3.946 3.960 0.006 0.000 0.218 295 G C 1.830 176.891 174.900 0.268 0.000 1.135 295 G CA 1.213 46.492 45.100 0.298 0.000 0.784 295 G HN 0.430 nan 8.290 nan 0.000 0.543 296 S N -0.046 115.808 115.700 0.257 0.000 2.575 296 S HA 0.250 4.723 4.470 0.006 0.000 0.215 296 S C 1.821 176.540 174.600 0.197 0.000 0.966 296 S CA -0.169 58.209 58.200 0.296 0.000 0.911 296 S CB 0.177 63.520 63.200 0.239 0.000 0.780 296 S HN 0.360 nan 8.310 nan 0.000 0.514 297 I N 0.594 121.249 120.570 0.141 0.000 2.405 297 I HA -0.023 4.151 4.170 0.006 0.000 0.236 297 I C 2.326 178.415 176.117 -0.046 0.000 1.071 297 I CA 0.748 62.071 61.300 0.039 0.000 1.398 297 I CB -0.363 37.660 38.000 0.037 0.000 1.162 297 I HN 0.133 nan 8.210 nan 0.000 0.432 298 S N 0.860 116.522 115.700 -0.064 0.000 2.348 298 S HA -0.008 4.466 4.470 0.006 0.000 0.219 298 S C 2.025 176.579 174.600 -0.076 0.000 1.033 298 S CA 0.844 58.946 58.200 -0.162 0.000 0.974 298 S CB -0.102 63.042 63.200 -0.095 0.000 0.868 298 S HN 0.186 nan 8.310 nan 0.000 0.459 299 I N 2.191 122.761 120.570 0.000 0.000 2.127 299 I HA -0.071 4.103 4.170 0.006 0.000 0.241 299 I C -0.859 175.282 176.117 0.041 0.000 1.075 299 I CA 1.206 62.516 61.300 0.015 0.000 1.334 299 I CB -2.735 35.302 38.000 0.061 0.000 1.040 299 I HN 0.156 nan 8.210 nan 0.000 0.405 300 P HA -0.110 nan 4.420 nan 0.000 0.216 300 P C 1.658 179.010 177.300 0.086 0.000 1.150 300 P CA 1.956 65.123 63.100 0.110 0.000 0.837 300 P CB 0.052 31.873 31.700 0.202 0.000 0.786 301 A N -0.115 122.736 122.820 0.052 0.000 1.872 301 A HA -0.040 4.284 4.320 0.006 0.000 0.214 301 A C 2.304 179.914 177.584 0.042 0.000 1.187 301 A CA 1.847 53.905 52.037 0.034 0.000 0.614 301 A CB -1.587 17.357 19.000 -0.094 0.000 0.826 301 A HN 0.169 nan 8.150 nan 0.000 0.442 302 A N -0.488 122.339 122.820 0.012 0.000 1.908 302 A HA -0.026 4.297 4.320 0.006 0.000 0.218 302 A C 2.217 179.914 177.584 0.188 0.000 1.181 302 A CA 1.917 54.034 52.037 0.132 0.000 0.627 302 A CB -0.907 18.116 19.000 0.037 0.000 0.818 302 A HN 0.398 nan 8.150 nan 0.000 0.445 303 V N -0.296 119.657 119.914 0.065 0.000 2.379 303 V HA -0.183 3.941 4.120 0.006 0.000 0.245 303 V C 3.031 179.142 176.094 0.029 0.000 1.044 303 V CA 1.715 64.025 62.300 0.018 0.000 1.036 303 V CB -1.206 30.588 31.823 -0.048 0.000 0.664 303 V HN 0.611 nan 8.190 nan 0.000 0.453 304 A N -0.391 122.461 122.820 0.054 0.000 1.908 304 A HA -0.195 4.129 4.320 0.006 0.000 0.218 304 A C 2.004 179.542 177.584 -0.078 0.000 1.181 304 A CA 1.925 53.969 52.037 0.013 0.000 0.627 304 A CB -0.650 18.397 19.000 0.078 0.000 0.818 304 A HN 0.474 nan 8.150 nan 0.000 0.445 305 F N -2.248 117.539 119.950 -0.272 0.000 2.416 305 F HA 0.145 4.677 4.527 0.007 0.000 0.296 305 F C 1.353 176.707 175.800 -0.742 0.000 1.099 305 F CA 0.823 58.483 58.000 -0.566 0.000 1.427 305 F CB -0.065 38.411 39.000 -0.875 0.000 1.079 305 F HN 0.227 nan 8.300 nan 0.000 0.536 306 F N -0.866 119.135 119.950 0.085 0.000 2.767 306 F HA 0.497 5.027 4.527 0.005 0.000 0.323 306 F C 1.134 176.910 175.800 -0.041 0.000 1.091 306 F CA 0.111 58.117 58.000 0.011 0.000 1.192 306 F CB -0.130 38.866 39.000 -0.006 0.000 1.056 306 F HN -0.086 nan 8.300 nan 0.000 0.571 307 G N 0.621 109.464 108.800 0.073 0.000 2.733 307 G HA2 -0.162 3.802 3.960 0.006 0.000 0.686 307 G HA3 -0.162 3.802 3.960 0.006 0.000 0.686 307 G C 0.483 175.352 174.900 -0.052 0.000 1.373 307 G CA -0.579 44.520 45.100 -0.001 0.000 0.838 307 G HN -0.042 nan 8.290 nan 0.000 0.588 308 V N 1.447 121.280 119.914 -0.135 0.000 2.252 308 V HA -0.159 3.965 4.120 0.006 0.000 0.249 308 V C 3.455 179.389 176.094 -0.267 0.000 1.056 308 V CA 3.613 65.727 62.300 -0.310 0.000 1.022 308 V CB -1.384 30.227 31.823 -0.354 0.000 0.641 308 V HN 1.899 nan 8.190 nan 0.000 0.445 309 A N 0.035 122.766 122.820 -0.147 0.000 1.978 309 A HA -0.232 4.092 4.320 0.006 0.000 0.220 309 A C 2.069 179.587 177.584 -0.110 0.000 1.170 309 A CA 2.064 54.033 52.037 -0.112 0.000 0.636 309 A CB -0.606 18.360 19.000 -0.058 0.000 0.810 309 A HN 0.613 nan 8.150 nan 0.000 0.448 310 N N 0.024 118.674 118.700 -0.083 0.000 2.250 310 N HA -0.000 4.743 4.740 0.006 0.000 0.181 310 N C 1.921 177.334 175.510 -0.161 0.000 1.017 310 N CA 1.253 54.244 53.050 -0.097 0.000 0.866 310 N CB -0.438 38.035 38.487 -0.024 0.000 0.985 310 N HN 0.444 nan 8.380 nan 0.000 0.429 311 A N 0.909 123.648 122.820 -0.135 0.000 1.902 311 A HA -0.086 4.238 4.320 0.006 0.000 0.217 311 A C 2.496 179.961 177.584 -0.197 0.000 1.181 311 A CA 1.271 53.210 52.037 -0.163 0.000 0.623 311 A CB -0.782 18.116 19.000 -0.170 0.000 0.818 311 A HN 0.080 nan 8.150 nan 0.000 0.443 312 V N -0.118 119.659 119.914 -0.228 0.000 2.261 312 V HA -0.265 3.859 4.120 0.006 0.000 0.246 312 V C 3.080 179.100 176.094 -0.123 0.000 1.047 312 V CA 2.032 64.231 62.300 -0.168 0.000 1.015 312 V CB -1.298 30.440 31.823 -0.142 0.000 0.642 312 V HN 0.619 nan 8.190 nan 0.000 0.446 313 A N -0.361 122.388 122.820 -0.119 0.000 1.978 313 A HA -0.209 4.114 4.320 0.006 0.000 0.220 313 A C 2.162 179.677 177.584 -0.115 0.000 1.170 313 A CA 2.062 54.038 52.037 -0.102 0.000 0.636 313 A CB -0.592 18.351 19.000 -0.094 0.000 0.810 313 A HN 0.539 nan 8.150 nan 0.000 0.448 314 I N -0.415 120.062 120.570 -0.154 0.000 2.163 314 I HA -0.256 3.917 4.170 0.006 0.000 0.240 314 I C 3.002 179.052 176.117 -0.110 0.000 1.081 314 I CA 1.043 62.249 61.300 -0.156 0.000 1.353 314 I CB -0.401 37.462 38.000 -0.229 0.000 1.054 314 I HN 0.338 nan 8.210 nan 0.000 0.407 315 A N 0.794 123.545 122.820 -0.116 0.000 1.903 315 A HA -0.295 4.029 4.320 0.006 0.000 0.219 315 A C 2.277 179.802 177.584 -0.098 0.000 1.191 315 A CA 2.073 54.045 52.037 -0.108 0.000 0.638 315 A CB -0.637 18.288 19.000 -0.126 0.000 0.823 315 A HN 0.360 nan 8.150 nan 0.000 0.451 316 K N -0.469 119.877 120.400 -0.091 0.000 2.280 316 K HA 0.022 4.345 4.320 0.006 0.000 0.202 316 K C 2.143 178.708 176.600 -0.058 0.000 1.047 316 K CA 0.771 57.013 56.287 -0.075 0.000 0.942 316 K CB -0.270 32.191 32.500 -0.064 0.000 0.739 316 K HN 0.493 nan 8.250 nan 0.000 0.457 317 A N 1.251 124.040 122.820 -0.051 0.000 1.933 317 A HA 0.035 4.359 4.320 0.006 0.000 0.218 317 A C 1.087 178.672 177.584 0.002 0.000 1.175 317 A CA 1.556 53.580 52.037 -0.022 0.000 0.628 317 A CB -0.132 18.856 19.000 -0.020 0.000 0.814 317 A HN 0.376 nan 8.150 nan 0.000 0.444 318 G N -4.537 104.259 108.800 -0.006 0.000 2.547 318 G HA2 0.523 4.486 3.960 0.006 0.000 0.291 318 G HA3 0.523 4.486 3.960 0.006 0.000 0.291 318 G C 0.415 175.267 174.900 -0.080 0.000 1.471 318 G CA -0.040 45.062 45.100 0.004 0.000 0.798 318 G HN 0.745 nan 8.290 nan 0.000 0.504 319 A N -0.491 122.185 122.820 -0.238 0.000 2.019 319 A HA 0.233 4.557 4.320 0.006 0.000 0.219 319 A C 1.380 178.717 177.584 -0.411 0.000 1.164 319 A CA 1.738 53.469 52.037 -0.512 0.000 0.644 319 A CB -0.378 18.060 19.000 -0.936 0.000 0.805 319 A HN 0.644 nan 8.150 nan 0.000 0.449 320 F N -1.340 118.713 119.950 0.171 0.000 2.706 320 F HA 0.221 4.752 4.527 0.006 0.000 0.313 320 F C 1.802 177.785 175.800 0.304 0.000 1.096 320 F CA -0.727 57.458 58.000 0.307 0.000 1.219 320 F CB -0.277 38.889 39.000 0.277 0.000 1.051 320 F HN 0.154 nan 8.300 nan 0.000 0.568 321 N N 0.648 119.533 118.700 0.309 0.000 2.120 321 N HA -0.158 4.586 4.740 0.006 0.000 0.188 321 N C 1.913 177.517 175.510 0.156 0.000 1.024 321 N CA 1.190 54.367 53.050 0.212 0.000 0.852 321 N CB -0.076 38.468 38.487 0.096 0.000 1.003 321 N HN 0.217 nan 8.380 nan 0.000 0.424 322 L N 0.806 122.095 121.223 0.109 0.000 2.044 322 L HA 0.035 4.379 4.340 0.006 0.000 0.205 322 L C 2.198 179.094 176.870 0.043 0.000 1.075 322 L CA 1.707 56.562 54.840 0.024 0.000 0.747 322 L CB -0.995 41.061 42.059 -0.006 0.000 0.903 322 L HN 0.061 nan 8.230 nan 0.000 0.435 323 G N -2.224 106.694 108.800 0.197 0.000 2.453 323 G HA2 -0.172 3.791 3.960 0.006 0.000 0.215 323 G HA3 -0.172 3.791 3.960 0.006 0.000 0.215 323 G C 1.170 176.193 174.900 0.206 0.000 1.147 323 G CA 0.486 45.738 45.100 0.255 0.000 0.802 323 G HN 0.401 nan 8.290 nan 0.000 0.535 324 F N -0.665 119.490 119.950 0.341 0.000 2.717 324 F HA 0.470 5.001 4.527 0.006 0.000 0.297 324 F C 1.921 177.955 175.800 0.390 0.000 1.113 324 F CA -0.106 58.108 58.000 0.356 0.000 1.319 324 F CB 0.512 39.587 39.000 0.126 0.000 1.097 324 F HN 0.033 nan 8.300 nan 0.000 0.595 325 I N -1.783 119.022 120.570 0.391 0.000 3.632 325 I HA -0.064 4.110 4.170 0.006 0.000 0.246 325 I C 2.033 178.173 176.117 0.038 0.000 1.125 325 I CA 0.569 62.040 61.300 0.286 0.000 1.519 325 I CB -0.509 37.635 38.000 0.239 0.000 1.555 325 I HN -0.208 nan 8.210 nan 0.000 0.452 326 T N 2.070 116.601 114.554 -0.038 0.000 2.674 326 T HA -0.170 4.184 4.350 0.006 0.000 0.265 326 T C 1.846 176.337 174.700 -0.348 0.000 1.039 326 T CA 1.490 63.498 62.100 -0.154 0.000 1.150 326 T CB -0.349 68.436 68.868 -0.138 0.000 0.864 326 T HN 0.067 nan 8.240 nan 0.000 0.427 327 L N 2.525 123.472 121.223 -0.460 0.000 2.012 327 L HA -0.015 4.329 4.340 0.006 0.000 0.210 327 L C -0.780 175.430 176.870 -1.101 0.000 1.073 327 L CA 1.950 56.250 54.840 -0.901 0.000 0.748 327 L CB -1.363 39.993 42.059 -1.171 0.000 0.891 327 L HN 0.160 nan 8.230 nan 0.000 0.431 328 P HA -0.122 nan 4.420 nan 0.000 0.218 328 P C 1.443 178.220 177.300 -0.871 0.000 1.149 328 P CA 1.845 64.612 63.100 -0.555 0.000 0.817 328 P CB -0.183 31.469 31.700 -0.080 0.000 0.785 329 A N 0.084 122.256 122.820 -1.081 0.000 1.877 329 A HA -0.164 4.160 4.320 0.006 0.000 0.216 329 A C 2.333 179.605 177.584 -0.519 0.000 1.186 329 A CA 1.460 52.882 52.037 -1.024 0.000 0.620 329 A CB -1.589 17.128 19.000 -0.472 0.000 0.822 329 A HN 0.109 nan 8.150 nan 0.000 0.443 330 I N -1.331 118.900 120.570 -0.565 0.000 2.142 330 I HA -0.241 3.933 4.170 0.006 0.000 0.240 330 I C 2.228 178.105 176.117 -0.399 0.000 1.078 330 I CA 1.248 62.104 61.300 -0.740 0.000 1.343 330 I CB -0.456 36.970 38.000 -0.957 0.000 1.046 330 I HN 0.261 nan 8.210 nan 0.000 0.405 331 F N 1.306 121.012 119.950 -0.407 0.000 2.154 331 F HA -0.259 4.272 4.527 0.005 0.000 0.301 331 F C 3.021 178.765 175.800 -0.093 0.000 1.087 331 F CA 1.438 59.305 58.000 -0.221 0.000 1.274 331 F CB -1.777 37.121 39.000 -0.171 0.000 1.009 331 F HN 0.223 nan 8.300 nan 0.000 0.485 332 S N -0.444 115.307 115.700 0.086 0.000 2.442 332 S HA -0.179 4.295 4.470 0.006 0.000 0.236 332 S C 1.450 176.125 174.600 0.126 0.000 1.007 332 S CA 0.844 59.138 58.200 0.156 0.000 0.965 332 S CB -0.435 62.914 63.200 0.248 0.000 0.773 332 S HN 0.410 nan 8.310 nan 0.000 0.504 333 Q N 1.878 121.726 119.800 0.081 0.000 2.322 333 Q HA 0.181 4.525 4.340 0.006 0.000 0.203 333 Q C 0.528 176.615 176.000 0.145 0.000 0.923 333 Q CA 0.489 56.370 55.803 0.130 0.000 0.949 333 Q CB 0.135 28.995 28.738 0.204 0.000 1.039 333 Q HN 0.872 nan 8.270 nan 0.000 0.496 334 T N -3.647 110.979 114.554 0.120 0.000 2.916 334 T HA 0.732 5.086 4.350 0.006 0.000 0.292 334 T C -0.341 174.405 174.700 0.076 0.000 1.055 334 T CA -0.874 61.284 62.100 0.098 0.000 1.009 334 T CB 2.128 71.042 68.868 0.078 0.000 1.118 334 T HN 0.070 nan 8.240 nan 0.000 0.497 335 A N 0.609 123.462 122.820 0.056 0.000 2.488 335 A HA 0.578 4.902 4.320 0.006 0.000 0.249 335 A C 1.577 179.196 177.584 0.058 0.000 1.083 335 A CA 0.242 52.309 52.037 0.050 0.000 0.768 335 A CB -1.295 17.725 19.000 0.033 0.000 1.017 335 A HN 2.458 nan 8.150 nan 0.000 0.496 336 G N 1.661 110.508 108.800 0.078 0.000 2.160 336 G HA2 -0.132 3.831 3.960 0.006 0.000 0.251 336 G HA3 -0.132 3.831 3.960 0.006 0.000 0.251 336 G C 1.135 176.138 174.900 0.171 0.000 1.008 336 G CA 0.846 46.017 45.100 0.120 0.000 0.724 336 G HN 1.822 nan 8.290 nan 0.000 0.514 337 G N -0.584 108.305 108.800 0.148 0.000 2.432 337 G HA2 -0.022 3.941 3.960 0.006 0.000 0.219 337 G HA3 -0.022 3.941 3.960 0.006 0.000 0.219 337 G C 1.648 176.736 174.900 0.314 0.000 1.135 337 G CA 2.180 47.385 45.100 0.175 0.000 0.767 337 G HN 0.628 nan 8.290 nan 0.000 0.550 338 T N 0.625 115.382 114.554 0.339 0.000 2.746 338 T HA -0.111 4.243 4.350 0.006 0.000 0.267 338 T C 1.926 176.947 174.700 0.535 0.000 1.039 338 T CA 1.008 63.379 62.100 0.452 0.000 1.142 338 T CB -0.267 68.756 68.868 0.257 0.000 0.866 338 T HN 0.232 nan 8.240 nan 0.000 0.444 339 F N 1.205 121.319 119.950 0.273 0.000 2.146 339 F HA 0.048 4.578 4.527 0.006 0.000 0.298 339 F C 1.949 177.932 175.800 0.306 0.000 1.096 339 F CA 0.496 58.672 58.000 0.294 0.000 1.275 339 F CB -0.472 38.627 39.000 0.166 0.000 1.008 339 F HN -0.011 nan 8.300 nan 0.000 0.480 340 L N 0.457 121.812 121.223 0.221 0.000 2.012 340 L HA -0.114 4.229 4.340 0.006 0.000 0.210 340 L C 2.662 179.560 176.870 0.047 0.000 1.073 340 L CA 2.177 56.988 54.840 -0.047 0.000 0.748 340 L CB -1.490 40.314 42.059 -0.425 0.000 0.891 340 L HN 0.242 nan 8.230 nan 0.000 0.431 341 G N -1.123 107.852 108.800 0.291 0.000 2.476 341 G HA2 -0.405 3.558 3.960 0.006 0.000 0.218 341 G HA3 -0.405 3.558 3.960 0.006 0.000 0.218 341 G C 1.578 176.532 174.900 0.090 0.000 1.164 341 G CA 1.020 46.232 45.100 0.186 0.000 0.768 341 G HN 0.476 nan 8.290 nan 0.000 0.560 342 F N 1.331 121.373 119.950 0.153 0.000 2.120 342 F HA -0.063 4.467 4.527 0.006 0.000 0.300 342 F C 2.340 178.118 175.800 -0.037 0.000 1.095 342 F CA 1.466 59.526 58.000 0.100 0.000 1.249 342 F CB -0.331 38.620 39.000 -0.082 0.000 0.995 342 F HN 0.090 nan 8.300 nan 0.000 0.480 343 L N -0.767 120.119 121.223 -0.562 0.000 2.072 343 L HA -0.208 4.135 4.340 0.006 0.000 0.205 343 L C 2.596 179.293 176.870 -0.290 0.000 1.079 343 L CA 1.377 55.839 54.840 -0.630 0.000 0.752 343 L CB -1.103 40.742 42.059 -0.357 0.000 0.906 343 L HN 0.512 nan 8.230 nan 0.000 0.436 344 W N 1.115 122.186 121.300 -0.382 0.000 2.317 344 W HA -0.323 4.342 4.660 0.008 0.000 0.318 344 W C 2.198 178.378 176.519 -0.566 0.000 1.227 344 W CA 1.624 58.689 57.345 -0.468 0.000 1.269 344 W CB -0.365 28.782 29.460 -0.521 0.000 1.155 344 W HN 0.077 nan 8.180 nan 0.000 0.484 345 F N -0.379 119.396 119.950 -0.293 0.000 2.216 345 F HA -0.146 4.385 4.527 0.007 0.000 0.300 345 F C 2.257 177.914 175.800 -0.239 0.000 1.085 345 F CA 1.461 59.248 58.000 -0.356 0.000 1.326 345 F CB -1.692 37.243 39.000 -0.109 0.000 1.027 345 F HN -0.147 nan 8.300 nan 0.000 0.497 346 F N 0.094 119.849 119.950 -0.324 0.000 2.163 346 F HA -0.104 4.427 4.527 0.006 0.000 0.297 346 F C 2.227 177.848 175.800 -0.298 0.000 1.094 346 F CA 0.762 58.562 58.000 -0.334 0.000 1.290 346 F CB -0.507 38.035 39.000 -0.765 0.000 1.017 346 F HN -0.058 nan 8.300 nan 0.000 0.483 347 L N 0.663 121.716 121.223 -0.283 0.000 1.990 347 L HA -0.244 4.100 4.340 0.006 0.000 0.213 347 L C 2.087 178.678 176.870 -0.464 0.000 1.072 347 L CA 2.003 56.606 54.840 -0.394 0.000 0.755 347 L CB -1.122 40.667 42.059 -0.451 0.000 0.889 347 L HN 0.239 nan 8.230 nan 0.000 0.432 348 L N -1.582 119.293 121.223 -0.580 0.000 2.079 348 L HA -0.242 4.102 4.340 0.006 0.000 0.210 348 L C 2.510 179.290 176.870 -0.152 0.000 1.081 348 L CA 1.612 56.181 54.840 -0.451 0.000 0.752 348 L CB -0.793 40.909 42.059 -0.595 0.000 0.896 348 L HN 0.366 nan 8.230 nan 0.000 0.433 349 F N 0.257 120.081 119.950 -0.211 0.000 2.102 349 F HA -0.242 4.289 4.527 0.006 0.000 0.298 349 F C 2.242 178.077 175.800 0.058 0.000 1.105 349 F CA 1.439 59.392 58.000 -0.078 0.000 1.239 349 F CB -0.364 38.585 39.000 -0.084 0.000 0.991 349 F HN -0.118 nan 8.300 nan 0.000 0.474 350 F N 0.641 120.296 119.950 -0.491 0.000 2.234 350 F HA 0.008 4.539 4.527 0.006 0.000 0.299 350 F C 2.562 178.227 175.800 -0.225 0.000 1.087 350 F CA 0.700 58.456 58.000 -0.407 0.000 1.340 350 F CB -1.546 37.264 39.000 -0.317 0.000 1.031 350 F HN 0.089 nan 8.300 nan 0.000 0.500 351 A N 0.180 123.004 122.820 0.006 0.000 1.865 351 A HA -0.139 4.184 4.320 0.006 0.000 0.217 351 A C 2.641 180.258 177.584 0.054 0.000 1.191 351 A CA 2.058 54.127 52.037 0.054 0.000 0.623 351 A CB -1.564 17.492 19.000 0.093 0.000 0.826 351 A HN 0.394 nan 8.150 nan 0.000 0.444 352 G N -0.348 108.449 108.800 -0.004 0.000 2.433 352 G HA2 -0.165 3.798 3.960 0.006 0.000 0.216 352 G HA3 -0.165 3.798 3.960 0.006 0.000 0.216 352 G C 1.509 176.429 174.900 0.035 0.000 1.186 352 G CA 1.251 46.394 45.100 0.072 0.000 0.779 352 G HN 0.514 nan 8.290 nan 0.000 0.543 353 L N 1.719 122.799 121.223 -0.239 0.000 2.012 353 L HA -0.093 4.251 4.340 0.006 0.000 0.210 353 L C 3.140 179.923 176.870 -0.145 0.000 1.073 353 L CA 2.936 57.595 54.840 -0.302 0.000 0.748 353 L CB -1.104 40.568 42.059 -0.646 0.000 0.891 353 L HN 0.402 nan 8.230 nan 0.000 0.431 354 T N -4.680 109.839 114.554 -0.057 0.000 2.929 354 T HA -0.090 4.264 4.350 0.006 0.000 0.271 354 T C 1.840 176.531 174.700 -0.015 0.000 1.085 354 T CA 1.400 63.517 62.100 0.028 0.000 1.125 354 T CB -0.515 68.379 68.868 0.044 0.000 0.874 354 T HN 0.345 nan 8.240 nan 0.000 0.494 355 S N 1.594 117.266 115.700 -0.048 0.000 2.421 355 S HA 0.016 4.490 4.470 0.006 0.000 0.224 355 S C 2.472 176.900 174.600 -0.286 0.000 1.035 355 S CA 0.774 58.865 58.200 -0.182 0.000 0.953 355 S CB -0.209 62.885 63.200 -0.176 0.000 0.810 355 S HN 0.830 nan 8.310 nan 0.000 0.497 356 S N 3.030 118.638 115.700 -0.153 0.000 2.406 356 S HA -0.025 4.449 4.470 0.006 0.000 0.228 356 S C 1.998 176.523 174.600 -0.126 0.000 1.020 356 S CA 0.874 58.979 58.200 -0.158 0.000 0.965 356 S CB -0.939 62.286 63.200 0.041 0.000 0.798 356 S HN 0.689 nan 8.310 nan 0.000 0.488 357 I N 0.163 120.677 120.570 -0.092 0.000 2.454 357 I HA 0.035 4.209 4.170 0.006 0.000 0.254 357 I C 2.484 178.608 176.117 0.012 0.000 1.156 357 I CA 1.292 62.563 61.300 -0.048 0.000 1.433 357 I CB -0.881 37.088 38.000 -0.052 0.000 1.082 357 I HN 0.328 nan 8.210 nan 0.000 0.432 358 A N 2.711 125.496 122.820 -0.059 0.000 1.968 358 A HA 0.001 4.325 4.320 0.006 0.000 0.217 358 A C 2.273 179.723 177.584 -0.224 0.000 1.169 358 A CA 1.582 53.493 52.037 -0.211 0.000 0.638 358 A CB -0.736 17.937 19.000 -0.545 0.000 0.812 358 A HN 0.736 nan 8.150 nan 0.000 0.446 359 I N -4.886 115.541 120.570 -0.239 0.000 3.793 359 I HA 0.176 4.350 4.170 0.006 0.000 0.315 359 I C 1.799 177.856 176.117 -0.099 0.000 1.275 359 I CA 0.452 61.624 61.300 -0.212 0.000 1.214 359 I CB -0.038 37.764 38.000 -0.331 0.000 1.018 359 I HN 0.107 nan 8.210 nan 0.000 0.439 360 M N 0.340 119.908 119.600 -0.054 0.000 2.486 360 M HA 0.025 4.509 4.480 0.006 0.000 0.264 360 M C 2.129 178.455 176.300 0.043 0.000 1.125 360 M CA 0.748 56.050 55.300 0.004 0.000 1.144 360 M CB -0.033 32.572 32.600 0.008 0.000 1.353 360 M HN 0.189 nan 8.290 nan 0.000 0.466 361 Q N 1.429 121.268 119.800 0.066 0.000 2.181 361 Q HA -0.098 4.246 4.340 0.006 0.000 0.205 361 Q C -1.047 175.033 176.000 0.134 0.000 0.980 361 Q CA 1.963 57.839 55.803 0.121 0.000 0.862 361 Q CB -1.228 27.654 28.738 0.240 0.000 0.905 361 Q HN 0.233 nan 8.270 nan 0.000 0.429 362 P HA -0.136 nan 4.420 nan 0.000 0.216 362 P C 1.122 178.491 177.300 0.116 0.000 1.153 362 P CA 1.297 64.454 63.100 0.095 0.000 0.848 362 P CB -0.145 31.581 31.700 0.043 0.000 0.787 363 M N -0.999 118.659 119.600 0.097 0.000 2.117 363 M HA -0.095 4.389 4.480 0.006 0.000 0.262 363 M C 1.856 178.271 176.300 0.191 0.000 1.065 363 M CA 1.694 57.074 55.300 0.133 0.000 1.114 363 M CB -1.297 31.367 32.600 0.108 0.000 1.361 363 M HN -0.211 nan 8.290 nan 0.000 0.408 364 I N -0.178 120.479 120.570 0.144 0.000 2.163 364 I HA -0.301 3.872 4.170 0.006 0.000 0.243 364 I C 2.378 178.562 176.117 0.111 0.000 1.085 364 I CA 1.473 62.845 61.300 0.119 0.000 1.347 364 I CB -0.783 37.262 38.000 0.075 0.000 1.044 364 I HN 0.378 nan 8.210 nan 0.000 0.408 365 A N 0.200 123.101 122.820 0.135 0.000 1.930 365 A HA -0.234 4.090 4.320 0.006 0.000 0.217 365 A C 2.241 179.879 177.584 0.090 0.000 1.175 365 A CA 1.333 53.447 52.037 0.127 0.000 0.627 365 A CB -0.955 18.145 19.000 0.167 0.000 0.815 365 A HN 0.462 nan 8.150 nan 0.000 0.443 366 F N 0.705 120.659 119.950 0.008 0.000 2.102 366 F HA -0.144 4.386 4.527 0.006 0.000 0.298 366 F C 1.875 177.660 175.800 -0.024 0.000 1.105 366 F CA 1.803 59.792 58.000 -0.019 0.000 1.239 366 F CB -0.266 38.706 39.000 -0.047 0.000 0.991 366 F HN 0.140 nan 8.300 nan 0.000 0.474 367 L N -0.068 121.156 121.223 0.001 0.000 2.056 367 L HA -0.174 4.170 4.340 0.006 0.000 0.207 367 L C 2.372 179.153 176.870 -0.149 0.000 1.078 367 L CA 1.619 56.403 54.840 -0.093 0.000 0.749 367 L CB -0.801 41.317 42.059 0.098 0.000 0.901 367 L HN 0.179 nan 8.230 nan 0.000 0.433 368 E N 0.099 120.252 120.200 -0.079 0.000 2.028 368 E HA -0.206 4.148 4.350 0.006 0.000 0.191 368 E C 1.770 178.281 176.600 -0.147 0.000 0.988 368 E CA 1.425 57.774 56.400 -0.085 0.000 0.799 368 E CB -0.028 29.644 29.700 -0.047 0.000 0.755 368 E HN 0.444 nan 8.360 nan 0.000 0.447 369 D N 0.231 120.528 120.400 -0.171 0.000 2.103 369 D HA -0.102 4.542 4.640 0.006 0.000 0.199 369 D C 1.844 177.996 176.300 -0.247 0.000 0.978 369 D CA 0.980 54.862 54.000 -0.196 0.000 0.829 369 D CB -0.006 40.706 40.800 -0.146 0.000 0.981 369 D HN 0.130 nan 8.370 nan 0.000 0.464 370 E N -0.211 119.746 120.200 -0.405 0.000 2.251 370 E HA 0.129 4.482 4.350 0.006 0.000 0.194 370 E C 1.982 178.323 176.600 -0.431 0.000 0.964 370 E CA 0.131 56.257 56.400 -0.456 0.000 0.868 370 E CB 0.471 29.710 29.700 -0.767 0.000 0.828 370 E HN 0.286 nan 8.360 nan 0.000 0.481 371 L N 0.575 121.523 121.223 -0.458 0.000 2.693 371 L HA 0.163 4.506 4.340 0.006 0.000 0.235 371 L C -0.116 176.645 176.870 -0.182 0.000 1.127 371 L CA -0.114 54.548 54.840 -0.298 0.000 0.914 371 L CB 0.299 42.184 42.059 -0.290 0.000 1.193 371 L HN -0.148 nan 8.230 nan 0.000 0.502 372 K N -0.093 120.207 120.400 -0.167 0.000 3.129 372 K HA -0.171 4.152 4.320 0.006 0.000 0.273 372 K C -0.353 176.214 176.600 -0.054 0.000 1.123 372 K CA 0.477 56.701 56.287 -0.104 0.000 0.800 372 K CB -2.289 30.158 32.500 -0.089 0.000 1.238 372 K HN 0.123 nan 8.250 nan 0.000 0.492 373 L N 1.096 122.297 121.223 -0.037 0.000 2.439 373 L HA 0.122 4.466 4.340 0.006 0.000 0.269 373 L C 1.490 178.373 176.870 0.022 0.000 1.179 373 L CA 0.271 55.138 54.840 0.045 0.000 0.828 373 L CB 0.619 42.740 42.059 0.103 0.000 1.106 373 L HN 0.325 nan 8.230 nan 0.000 0.467 374 S N 2.566 118.285 115.700 0.032 0.000 2.576 374 S HA 0.094 4.568 4.470 0.006 0.000 0.272 374 S C 1.326 175.904 174.600 -0.037 0.000 1.352 374 S CA -0.156 58.016 58.200 -0.047 0.000 1.021 374 S CB 0.399 63.511 63.200 -0.146 0.000 0.887 374 S HN 0.664 nan 8.310 nan 0.000 0.542 375 R N 1.420 121.875 120.500 -0.075 0.000 2.096 375 R HA -0.195 4.149 4.340 0.006 0.000 0.240 375 R C 2.361 178.625 176.300 -0.060 0.000 1.139 375 R CA 2.034 58.092 56.100 -0.071 0.000 0.952 375 R CB -0.492 29.742 30.300 -0.109 0.000 0.854 375 R HN 0.872 nan 8.270 nan 0.000 0.436 376 K N -0.378 119.953 120.400 -0.115 0.000 2.015 376 K HA -0.249 4.075 4.320 0.006 0.000 0.216 376 K C 1.907 178.511 176.600 0.006 0.000 1.052 376 K CA 2.327 58.545 56.287 -0.115 0.000 0.937 376 K CB -0.314 32.047 32.500 -0.232 0.000 0.719 376 K HN 0.517 nan 8.250 nan 0.000 0.446 377 H N -0.966 118.125 119.070 0.036 0.000 2.389 377 H HA -0.050 4.509 4.556 0.006 0.000 0.299 377 H C 2.032 177.484 175.328 0.205 0.000 1.081 377 H CA 0.616 56.734 56.048 0.116 0.000 1.345 377 H CB 0.074 29.947 29.762 0.184 0.000 1.393 377 H HN 0.421 nan 8.280 nan 0.000 0.520 378 A N 0.578 123.549 122.820 0.253 0.000 1.930 378 A HA -0.103 4.221 4.320 0.006 0.000 0.217 378 A C 2.532 180.223 177.584 0.178 0.000 1.175 378 A CA 1.229 53.395 52.037 0.215 0.000 0.627 378 A CB -0.588 18.481 19.000 0.115 0.000 0.815 378 A HN 0.200 nan 8.150 nan 0.000 0.443 379 V N 0.121 120.092 119.914 0.095 0.000 2.379 379 V HA -0.202 3.921 4.120 0.006 0.000 0.245 379 V C 2.526 178.648 176.094 0.048 0.000 1.044 379 V CA 1.734 64.061 62.300 0.044 0.000 1.036 379 V CB -0.697 31.112 31.823 -0.024 0.000 0.664 379 V HN 0.547 nan 8.190 nan 0.000 0.453 380 L N -1.879 119.362 121.223 0.030 0.000 2.056 380 L HA -0.146 4.197 4.340 0.006 0.000 0.207 380 L C 2.429 179.251 176.870 -0.081 0.000 1.078 380 L CA 1.846 56.643 54.840 -0.071 0.000 0.749 380 L CB -0.534 41.429 42.059 -0.161 0.000 0.901 380 L HN 0.363 nan 8.230 nan 0.000 0.433 381 W N 0.345 121.700 121.300 0.092 0.000 2.363 381 W HA -0.183 4.480 4.660 0.006 0.000 0.296 381 W C 2.710 179.308 176.519 0.133 0.000 1.212 381 W CA 1.367 58.777 57.345 0.108 0.000 1.260 381 W CB -0.507 29.020 29.460 0.113 0.000 1.131 381 W HN 0.038 nan 8.180 nan 0.000 0.530 382 T N 0.040 114.792 114.554 0.330 0.000 2.708 382 T HA -0.211 4.142 4.350 0.006 0.000 0.266 382 T C 1.967 176.791 174.700 0.206 0.000 1.037 382 T CA 1.785 64.035 62.100 0.250 0.000 1.146 382 T CB -0.825 68.150 68.868 0.178 0.000 0.865 382 T HN 0.194 nan 8.240 nan 0.000 0.435 383 A N 1.444 124.346 122.820 0.137 0.000 1.940 383 A HA 0.110 4.434 4.320 0.006 0.000 0.219 383 A C 2.626 180.327 177.584 0.195 0.000 1.176 383 A CA 1.904 54.006 52.037 0.109 0.000 0.631 383 A CB -1.073 17.933 19.000 0.009 0.000 0.814 383 A HN 0.516 nan 8.150 nan 0.000 0.446 384 A N -0.107 122.825 122.820 0.186 0.000 1.898 384 A HA -0.047 4.277 4.320 0.006 0.000 0.216 384 A C 2.109 179.939 177.584 0.409 0.000 1.181 384 A CA 1.470 53.670 52.037 0.271 0.000 0.620 384 A CB -0.565 18.502 19.000 0.112 0.000 0.819 384 A HN 0.507 nan 8.150 nan 0.000 0.442 385 I N -0.497 120.303 120.570 0.384 0.000 2.202 385 I HA -0.194 3.980 4.170 0.006 0.000 0.242 385 I C 2.321 178.677 176.117 0.398 0.000 1.091 385 I CA 1.076 62.609 61.300 0.389 0.000 1.368 385 I CB -0.376 37.828 38.000 0.340 0.000 1.058 385 I HN 0.142 nan 8.210 nan 0.000 0.410 386 V N 0.743 120.859 119.914 0.336 0.000 2.307 386 V HA -0.295 3.828 4.120 0.006 0.000 0.245 386 V C 2.303 178.629 176.094 0.387 0.000 1.045 386 V CA 1.910 64.395 62.300 0.308 0.000 1.024 386 V CB -0.750 31.216 31.823 0.238 0.000 0.651 386 V HN 0.353 nan 8.190 nan 0.000 0.449 387 F N 0.723 120.844 119.950 0.285 0.000 2.069 387 F HA -0.247 4.284 4.527 0.006 0.000 0.298 387 F C 2.163 178.234 175.800 0.452 0.000 1.113 387 F CA 1.866 60.076 58.000 0.350 0.000 1.214 387 F CB -0.706 38.429 39.000 0.224 0.000 0.978 387 F HN 0.191 nan 8.300 nan 0.000 0.474 388 F N 1.019 121.111 119.950 0.236 0.000 2.043 388 F HA -0.259 4.272 4.527 0.006 0.000 0.297 388 F C 2.532 178.420 175.800 0.148 0.000 1.121 388 F CA 2.365 60.444 58.000 0.132 0.000 1.199 388 F CB -1.137 37.964 39.000 0.168 0.000 0.968 388 F HN -0.031 nan 8.300 nan 0.000 0.478 389 S N 0.363 116.066 115.700 0.005 0.000 2.419 389 S HA -0.104 4.370 4.470 0.006 0.000 0.233 389 S C 2.180 176.659 174.600 -0.202 0.000 1.016 389 S CA 0.835 58.973 58.200 -0.103 0.000 0.974 389 S CB -0.800 62.599 63.200 0.332 0.000 0.786 389 S HN 0.563 nan 8.310 nan 0.000 0.492 390 A N 0.967 123.697 122.820 -0.150 0.000 2.121 390 A HA -0.091 4.232 4.320 0.006 0.000 0.218 390 A C 1.538 178.780 177.584 -0.571 0.000 1.154 390 A CA 1.166 52.999 52.037 -0.341 0.000 0.679 390 A CB -0.731 18.046 19.000 -0.370 0.000 0.795 390 A HN 0.537 nan 8.150 nan 0.000 0.458 391 H N -1.110 117.702 119.070 -0.430 0.000 2.426 391 H HA -0.129 4.430 4.556 0.006 0.000 0.298 391 H C 1.816 177.056 175.328 -0.145 0.000 1.107 391 H CA 1.594 57.504 56.048 -0.229 0.000 1.298 391 H CB -0.137 29.443 29.762 -0.304 0.000 1.377 391 H HN 0.403 nan 8.280 nan 0.000 0.519 392 L N -0.217 120.883 121.223 -0.206 0.000 2.027 392 L HA -0.122 4.221 4.340 0.006 0.000 0.206 392 L C 2.236 179.038 176.870 -0.114 0.000 1.074 392 L CA 1.168 55.912 54.840 -0.160 0.000 0.745 392 L CB -0.579 41.330 42.059 -0.250 0.000 0.898 392 L HN 0.131 nan 8.230 nan 0.000 0.433 393 V N -0.709 119.103 119.914 -0.170 0.000 2.427 393 V HA -0.305 3.819 4.120 0.006 0.000 0.248 393 V C 2.529 178.463 176.094 -0.268 0.000 1.051 393 V CA 1.879 64.092 62.300 -0.145 0.000 1.048 393 V CB -0.374 31.400 31.823 -0.081 0.000 0.666 393 V HN 0.419 nan 8.190 nan 0.000 0.456 394 M N -1.588 117.654 119.600 -0.595 0.000 2.175 394 M HA -0.085 4.398 4.480 0.006 0.000 0.264 394 M C 1.750 177.625 176.300 -0.708 0.000 1.063 394 M CA 2.045 56.832 55.300 -0.855 0.000 1.119 394 M CB -0.186 31.706 32.600 -1.180 0.000 1.377 394 M HN 0.340 nan 8.290 nan 0.000 0.415 395 F N -1.152 118.681 119.950 -0.194 0.000 2.717 395 F HA 0.243 4.774 4.527 0.006 0.000 0.297 395 F C 0.311 176.047 175.800 -0.108 0.000 1.113 395 F CA -0.327 57.596 58.000 -0.128 0.000 1.319 395 F CB 0.479 39.410 39.000 -0.115 0.000 1.097 395 F HN -0.064 nan 8.300 nan 0.000 0.595 396 L N 1.251 122.490 121.223 0.027 0.000 2.294 396 L HA 0.431 4.775 4.340 0.006 0.000 0.283 396 L C -0.261 176.574 176.870 -0.058 0.000 1.015 396 L CA -0.720 54.108 54.840 -0.020 0.000 0.831 396 L CB 0.232 42.278 42.059 -0.023 0.000 1.217 396 L HN -0.121 nan 8.230 nan 0.000 0.420 397 N N 4.202 122.849 118.700 -0.090 0.000 2.412 397 N HA 0.050 4.794 4.740 0.006 0.000 0.258 397 N C 0.349 175.797 175.510 -0.103 0.000 1.236 397 N CA 0.550 53.536 53.050 -0.107 0.000 0.882 397 N CB 0.433 38.831 38.487 -0.148 0.000 1.066 397 N HN 0.451 nan 8.380 nan 0.000 0.465 398 K N 0.097 120.457 120.400 -0.066 0.000 3.529 398 K HA -0.220 4.104 4.320 0.006 0.000 0.313 398 K C 1.271 177.852 176.600 -0.033 0.000 1.316 398 K CA 1.162 57.417 56.287 -0.052 0.000 0.988 398 K CB -2.174 30.276 32.500 -0.083 0.000 1.252 398 K HN 0.533 nan 8.250 nan 0.000 0.438 399 S N 0.576 116.263 115.700 -0.022 0.000 2.370 399 S HA -0.053 4.420 4.470 0.006 0.000 0.226 399 S C 1.788 176.399 174.600 0.017 0.000 1.033 399 S CA 1.551 59.758 58.200 0.011 0.000 1.011 399 S CB -0.094 63.111 63.200 0.008 0.000 0.852 399 S HN 0.460 nan 8.310 nan 0.000 0.457 400 L N 1.064 122.289 121.223 0.005 0.000 2.043 400 L HA -0.199 4.145 4.340 0.006 0.000 0.212 400 L C 1.778 178.530 176.870 -0.196 0.000 1.075 400 L CA 2.520 57.325 54.840 -0.058 0.000 0.752 400 L CB -0.677 41.410 42.059 0.047 0.000 0.891 400 L HN 0.284 nan 8.230 nan 0.000 0.432 401 D N -0.545 119.803 120.400 -0.086 0.000 2.144 401 D HA -0.222 4.422 4.640 0.006 0.000 0.199 401 D C 2.061 178.329 176.300 -0.053 0.000 0.984 401 D CA 1.193 55.140 54.000 -0.089 0.000 0.834 401 D CB -0.051 40.715 40.800 -0.058 0.000 0.955 401 D HN 0.354 nan 8.370 nan 0.000 0.465 402 E N 0.182 120.384 120.200 0.003 0.000 2.047 402 E HA -0.096 4.257 4.350 0.006 0.000 0.191 402 E C 1.980 178.732 176.600 0.255 0.000 0.987 402 E CA 0.998 57.474 56.400 0.128 0.000 0.799 402 E CB -0.116 29.673 29.700 0.147 0.000 0.752 402 E HN 0.259 nan 8.360 nan 0.000 0.449 403 M N -0.001 119.688 119.600 0.147 0.000 2.159 403 M HA -0.130 4.354 4.480 0.006 0.000 0.263 403 M C 1.909 178.281 176.300 0.120 0.000 1.063 403 M CA 1.819 57.231 55.300 0.186 0.000 1.110 403 M CB -0.354 32.366 32.600 0.199 0.000 1.374 403 M HN 0.073 nan 8.290 nan 0.000 0.411 404 D N 0.287 120.554 120.400 -0.220 0.000 2.144 404 D HA -0.187 4.457 4.640 0.006 0.000 0.199 404 D C 1.677 178.019 176.300 0.069 0.000 0.984 404 D CA 1.159 55.068 54.000 -0.152 0.000 0.834 404 D CB -0.009 40.557 40.800 -0.389 0.000 0.955 404 D HN 0.276 nan 8.370 nan 0.000 0.465 405 F N -0.611 119.268 119.950 -0.118 0.000 2.060 405 F HA -0.030 4.500 4.527 0.006 0.000 0.295 405 F C 1.655 177.334 175.800 -0.202 0.000 1.120 405 F CA 1.474 59.333 58.000 -0.235 0.000 1.205 405 F CB -0.646 38.083 39.000 -0.452 0.000 0.986 405 F HN 0.033 nan 8.300 nan 0.000 0.470 406 W N 0.072 121.418 121.300 0.076 0.000 2.381 406 W HA -0.010 4.654 4.660 0.007 0.000 0.301 406 W C 2.521 179.092 176.519 0.086 0.000 1.205 406 W CA 1.560 58.939 57.345 0.056 0.000 1.285 406 W CB -0.803 28.852 29.460 0.326 0.000 1.133 406 W HN 0.113 nan 8.180 nan 0.000 0.521 407 A N -0.344 122.637 122.820 0.267 0.000 1.887 407 A HA 0.211 4.535 4.320 0.006 0.000 0.210 407 A C 2.130 179.755 177.584 0.068 0.000 1.221 407 A CA 1.239 53.348 52.037 0.120 0.000 0.635 407 A CB -1.311 17.583 19.000 -0.177 0.000 0.881 407 A HN 0.217 nan 8.150 nan 0.000 0.456 408 G N -1.704 107.212 108.800 0.193 0.000 2.744 408 G HA2 0.234 4.198 3.960 0.006 0.000 0.211 408 G HA3 0.234 4.198 3.960 0.006 0.000 0.211 408 G C 1.083 176.111 174.900 0.214 0.000 1.143 408 G CA 1.581 46.878 45.100 0.328 0.000 0.788 408 G HN 0.444 nan 8.290 nan 0.000 0.534 409 T N 0.110 114.653 114.554 -0.019 0.000 3.393 409 T HA 0.180 4.533 4.350 0.006 0.000 0.231 409 T C 2.104 176.648 174.700 -0.261 0.000 0.983 409 T CA -0.151 61.880 62.100 -0.115 0.000 1.272 409 T CB 0.003 68.764 68.868 -0.179 0.000 1.214 409 T HN -0.082 nan 8.240 nan 0.000 0.368 410 I N 2.364 122.661 120.570 -0.456 0.000 2.113 410 I HA -0.066 4.107 4.170 0.006 0.000 0.238 410 I C 2.902 178.939 176.117 -0.132 0.000 1.070 410 I CA 1.912 63.001 61.300 -0.353 0.000 1.332 410 I CB -1.849 35.838 38.000 -0.521 0.000 1.044 410 I HN 0.442 nan 8.210 nan 0.000 0.402 411 G N 1.214 109.996 108.800 -0.029 0.000 2.513 411 G HA2 -0.260 3.704 3.960 0.006 0.000 0.219 411 G HA3 -0.260 3.704 3.960 0.006 0.000 0.219 411 G C 1.794 176.731 174.900 0.062 0.000 1.160 411 G CA 2.128 47.312 45.100 0.139 0.000 0.767 411 G HN 0.414 nan 8.290 nan 0.000 0.571 412 V N -1.252 118.568 119.914 -0.156 0.000 2.453 412 V HA -0.080 4.044 4.120 0.006 0.000 0.247 412 V C 2.707 178.594 176.094 -0.346 0.000 1.048 412 V CA 1.695 63.836 62.300 -0.264 0.000 1.049 412 V CB -0.732 30.771 31.823 -0.534 0.000 0.672 412 V HN 0.169 nan 8.190 nan 0.000 0.457 413 V N 0.264 119.851 119.914 -0.544 0.000 2.323 413 V HA -0.163 3.961 4.120 0.006 0.000 0.244 413 V C 2.382 178.365 176.094 -0.186 0.000 1.041 413 V CA 2.388 64.260 62.300 -0.713 0.000 1.025 413 V CB -1.026 30.467 31.823 -0.550 0.000 0.656 413 V HN 0.599 nan 8.190 nan 0.000 0.451 414 F N 0.680 120.525 119.950 -0.175 0.000 2.091 414 F HA -0.293 4.238 4.527 0.006 0.000 0.299 414 F C 2.068 177.873 175.800 0.008 0.000 1.103 414 F CA 2.113 60.059 58.000 -0.089 0.000 1.228 414 F CB -0.544 38.378 39.000 -0.129 0.000 0.984 414 F HN 0.178 nan 8.300 nan 0.000 0.477 415 F N 1.091 120.840 119.950 -0.335 0.000 2.259 415 F HA 0.128 4.658 4.527 0.006 0.000 0.298 415 F C 2.413 178.130 175.800 -0.138 0.000 1.088 415 F CA 1.266 59.065 58.000 -0.334 0.000 1.358 415 F CB -1.093 37.872 39.000 -0.058 0.000 1.040 415 F HN 0.024 nan 8.300 nan 0.000 0.505 416 G N 0.298 109.133 108.800 0.058 0.000 2.418 416 G HA2 -0.275 3.689 3.960 0.006 0.000 0.217 416 G HA3 -0.275 3.689 3.960 0.006 0.000 0.217 416 G C 1.638 176.498 174.900 -0.066 0.000 1.158 416 G CA 1.016 46.199 45.100 0.138 0.000 0.771 416 G HN 0.405 nan 8.290 nan 0.000 0.545 417 L N 0.788 121.940 121.223 -0.118 0.000 2.072 417 L HA 0.051 4.395 4.340 0.006 0.000 0.205 417 L C 2.947 179.612 176.870 -0.342 0.000 1.079 417 L CA 2.386 57.110 54.840 -0.193 0.000 0.752 417 L CB -0.867 41.112 42.059 -0.133 0.000 0.906 417 L HN 0.171 nan 8.230 nan 0.000 0.436 418 T N 0.271 114.551 114.554 -0.457 0.000 2.665 418 T HA -0.253 4.101 4.350 0.006 0.000 0.268 418 T C 1.591 175.969 174.700 -0.537 0.000 1.035 418 T CA 1.902 63.694 62.100 -0.513 0.000 1.151 418 T CB -0.362 68.118 68.868 -0.647 0.000 0.862 418 T HN 0.709 nan 8.240 nan 0.000 0.438 419 E N 1.049 120.925 120.200 -0.540 0.000 2.152 419 E HA -0.014 4.340 4.350 0.006 0.000 0.192 419 E C 2.355 178.789 176.600 -0.277 0.000 0.983 419 E CA 0.590 56.709 56.400 -0.468 0.000 0.818 419 E CB -0.572 28.933 29.700 -0.325 0.000 0.758 419 E HN 0.412 nan 8.360 nan 0.000 0.467 420 L N 0.862 121.931 121.223 -0.256 0.000 1.994 420 L HA -0.169 4.175 4.340 0.006 0.000 0.208 420 L C 2.561 179.237 176.870 -0.324 0.000 1.071 420 L CA 1.330 56.041 54.840 -0.215 0.000 0.745 420 L CB -0.153 41.737 42.059 -0.281 0.000 0.892 420 L HN 0.171 nan 8.230 nan 0.000 0.431 421 I N -0.208 120.054 120.570 -0.514 0.000 2.179 421 I HA -0.368 3.806 4.170 0.006 0.000 0.242 421 I C 2.411 178.351 176.117 -0.294 0.000 1.088 421 I CA 1.528 62.482 61.300 -0.576 0.000 1.357 421 I CB -0.249 37.454 38.000 -0.495 0.000 1.051 421 I HN 0.243 nan 8.210 nan 0.000 0.409 422 I N -0.267 120.105 120.570 -0.330 0.000 2.163 422 I HA -0.328 3.846 4.170 0.006 0.000 0.243 422 I C 2.441 178.520 176.117 -0.064 0.000 1.085 422 I CA 1.702 62.826 61.300 -0.293 0.000 1.347 422 I CB -0.297 37.370 38.000 -0.555 0.000 1.044 422 I HN 0.214 nan 8.210 nan 0.000 0.408 423 F N -0.007 119.831 119.950 -0.186 0.000 2.317 423 F HA -0.038 4.492 4.527 0.006 0.000 0.293 423 F C 1.925 177.765 175.800 0.067 0.000 1.085 423 F CA 1.140 59.093 58.000 -0.078 0.000 1.390 423 F CB -0.175 38.780 39.000 -0.075 0.000 1.077 423 F HN -0.129 nan 8.300 nan 0.000 0.517 424 F N -1.983 117.908 119.950 -0.098 0.000 2.717 424 F HA 0.064 4.595 4.527 0.007 0.000 0.295 424 F C 1.146 177.000 175.800 0.090 0.000 1.117 424 F CA 0.348 58.267 58.000 -0.133 0.000 1.361 424 F CB 0.015 38.939 39.000 -0.128 0.000 1.112 424 F HN -0.063 nan 8.300 nan 0.000 0.594 425 W N -0.525 120.723 121.300 -0.086 0.000 2.922 425 W HA 0.278 4.942 4.660 0.006 0.000 0.260 425 W C 2.040 178.447 176.519 -0.186 0.000 1.088 425 W CA 0.096 57.356 57.345 -0.141 0.000 1.694 425 W CB -0.978 28.406 29.460 -0.127 0.000 1.064 425 W HN -0.199 nan 8.180 nan 0.000 0.611 426 I N -0.572 120.018 120.570 0.033 0.000 2.206 426 I HA -0.241 3.933 4.170 0.006 0.000 0.239 426 I C 2.373 178.457 176.117 -0.054 0.000 1.078 426 I CA 1.318 62.539 61.300 -0.131 0.000 1.367 426 I CB -0.930 36.811 38.000 -0.432 0.000 1.078 426 I HN -0.215 nan 8.210 nan 0.000 0.413 427 F N 2.029 121.882 119.950 -0.163 0.000 2.154 427 F HA -0.026 4.504 4.527 0.006 0.000 0.301 427 F C 1.042 176.718 175.800 -0.208 0.000 1.087 427 F CA 1.360 59.270 58.000 -0.150 0.000 1.274 427 F CB -0.316 38.580 39.000 -0.172 0.000 1.009 427 F HN 0.141 nan 8.300 nan 0.000 0.485 428 G N -1.215 107.412 108.800 -0.288 0.000 3.160 428 G HA2 0.326 4.290 3.960 0.006 0.000 0.573 428 G HA3 0.326 4.290 3.960 0.006 0.000 0.573 428 G C 0.347 174.950 174.900 -0.494 0.000 1.286 428 G CA -0.406 44.449 45.100 -0.408 0.000 1.151 428 G HN 0.615 nan 8.290 nan 0.000 0.555 429 A N 1.678 124.242 122.820 -0.426 0.000 1.917 429 A HA -0.070 4.254 4.320 0.006 0.000 0.219 429 A C 2.021 179.315 177.584 -0.484 0.000 1.182 429 A CA 2.603 54.241 52.037 -0.665 0.000 0.633 429 A CB -0.215 18.619 19.000 -0.276 0.000 0.819 429 A HN 0.654 nan 8.150 nan 0.000 0.448 430 D N -0.664 119.606 120.400 -0.216 0.000 2.162 430 D HA -0.050 4.594 4.640 0.006 0.000 0.203 430 D C 1.893 178.132 176.300 -0.102 0.000 0.967 430 D CA 1.062 55.022 54.000 -0.067 0.000 0.840 430 D CB -0.247 40.502 40.800 -0.084 0.000 0.972 430 D HN 0.500 nan 8.370 nan 0.000 0.482 431 K N 0.949 121.188 120.400 -0.269 0.000 2.097 431 K HA 0.003 4.326 4.320 0.006 0.000 0.205 431 K C 2.154 178.634 176.600 -0.201 0.000 1.050 431 K CA 0.868 56.987 56.287 -0.280 0.000 0.938 431 K CB 0.045 32.174 32.500 -0.618 0.000 0.718 431 K HN -0.014 nan 8.250 nan 0.000 0.442 432 A N 1.749 124.290 122.820 -0.464 0.000 1.858 432 A HA -0.198 4.126 4.320 0.006 0.000 0.216 432 A C 1.933 179.418 177.584 -0.164 0.000 1.190 432 A CA 1.086 52.666 52.037 -0.761 0.000 0.617 432 A CB -1.043 16.941 19.000 -1.693 0.000 0.827 432 A HN 0.581 nan 8.150 nan 0.000 0.443 433 W N 0.868 121.977 121.300 -0.318 0.000 2.317 433 W HA -0.291 4.373 4.660 0.006 0.000 0.318 433 W C 2.051 178.576 176.519 0.011 0.000 1.227 433 W CA 2.543 59.896 57.345 0.014 0.000 1.269 433 W CB -0.264 29.269 29.460 0.122 0.000 1.155 433 W HN 0.549 nan 8.180 nan 0.000 0.484 434 E N 0.755 121.003 120.200 0.080 0.000 2.085 434 E HA -0.314 4.040 4.350 0.006 0.000 0.194 434 E C 1.889 178.470 176.600 -0.032 0.000 0.994 434 E CA 2.193 58.586 56.400 -0.011 0.000 0.801 434 E CB -0.508 29.214 29.700 0.037 0.000 0.743 434 E HN 0.147 nan 8.360 nan 0.000 0.453 435 E N 0.114 120.341 120.200 0.045 0.000 2.107 435 E HA -0.075 4.279 4.350 0.006 0.000 0.191 435 E C 1.910 178.564 176.600 0.090 0.000 0.982 435 E CA 1.197 57.673 56.400 0.127 0.000 0.809 435 E CB -0.279 29.563 29.700 0.237 0.000 0.756 435 E HN 0.472 nan 8.360 nan 0.000 0.459 436 I N 0.795 121.392 120.570 0.045 0.000 2.179 436 I HA -0.268 3.906 4.170 0.006 0.000 0.242 436 I C 1.921 177.893 176.117 -0.242 0.000 1.088 436 I CA 1.166 62.426 61.300 -0.066 0.000 1.357 436 I CB -0.276 37.647 38.000 -0.128 0.000 1.051 436 I HN 0.150 nan 8.210 nan 0.000 0.409 437 N N 0.533 119.014 118.700 -0.365 0.000 2.416 437 N HA -0.051 4.693 4.740 0.006 0.000 0.177 437 N C 0.879 176.271 175.510 -0.197 0.000 1.036 437 N CA 0.120 52.942 53.050 -0.380 0.000 0.901 437 N CB -0.032 38.142 38.487 -0.522 0.000 0.976 437 N HN 0.254 nan 8.380 nan 0.000 0.444 438 R N 0.786 121.218 120.500 -0.113 0.000 2.486 438 R HA -0.003 4.341 4.340 0.006 0.000 0.303 438 R C 0.917 177.197 176.300 -0.033 0.000 0.958 438 R CA 1.058 57.132 56.100 -0.044 0.000 1.077 438 R CB -0.137 30.171 30.300 0.013 0.000 0.921 438 R HN 0.350 nan 8.270 nan 0.000 0.406 439 G N 2.522 111.303 108.800 -0.032 0.000 2.184 439 G HA2 -0.274 3.690 3.960 0.006 0.000 0.264 439 G HA3 -0.274 3.690 3.960 0.006 0.000 0.264 439 G C 0.444 175.315 174.900 -0.048 0.000 0.975 439 G CA -0.017 45.069 45.100 -0.023 0.000 0.642 439 G HN 0.970 nan 8.290 nan 0.000 0.536 440 G N -0.455 108.292 108.800 -0.088 0.000 2.321 440 G HA2 0.390 4.354 3.960 0.006 0.000 0.237 440 G HA3 0.390 4.354 3.960 0.006 0.000 0.237 440 G C 1.153 176.002 174.900 -0.085 0.000 1.282 440 G CA 0.170 45.198 45.100 -0.120 0.000 0.886 440 G HN 0.486 nan 8.290 nan 0.000 0.528 441 I N 1.742 122.265 120.570 -0.077 0.000 2.584 441 I HA 0.091 4.265 4.170 0.006 0.000 0.255 441 I C 1.177 177.258 176.117 -0.060 0.000 1.145 441 I CA 0.756 62.023 61.300 -0.055 0.000 1.462 441 I CB -0.208 37.766 38.000 -0.044 0.000 1.102 441 I HN 0.540 nan 8.210 nan 0.000 0.433 442 I N -2.859 117.659 120.570 -0.086 0.000 3.108 442 I HA 0.472 4.646 4.170 0.006 0.000 0.312 442 I C -0.682 175.343 176.117 -0.153 0.000 1.095 442 I CA -1.048 60.198 61.300 -0.090 0.000 1.000 442 I CB 1.648 39.610 38.000 -0.063 0.000 1.229 442 I HN -0.254 nan 8.210 nan 0.000 0.454 443 K N 1.679 121.994 120.400 -0.141 0.000 2.110 443 K HA 0.550 4.873 4.320 0.006 0.000 0.263 443 K C -0.926 175.511 176.600 -0.271 0.000 0.975 443 K CA -0.884 55.277 56.287 -0.210 0.000 0.895 443 K CB 2.211 34.646 32.500 -0.109 0.000 1.060 443 K HN 0.395 nan 8.250 nan 0.000 0.448 444 V N 4.401 124.024 119.914 -0.485 0.000 2.585 444 V HA 0.024 4.147 4.120 0.006 0.000 0.296 444 V C -2.000 174.098 176.094 0.007 0.000 1.035 444 V CA -1.256 60.726 62.300 -0.530 0.000 1.084 444 V CB 0.200 31.446 31.823 -0.962 0.000 0.953 444 V HN 0.666 nan 8.190 nan 0.000 0.483 445 P HA 0.051 nan 4.420 nan 0.000 0.264 445 P C 0.781 178.345 177.300 0.438 0.000 1.183 445 P CA 0.188 63.467 63.100 0.299 0.000 0.763 445 P CB 0.439 32.350 31.700 0.351 0.000 0.807 446 R N 2.597 123.299 120.500 0.337 0.000 2.096 446 R HA -0.159 4.184 4.340 0.006 0.000 0.235 446 R C 1.881 178.340 176.300 0.264 0.000 1.127 446 R CA 1.094 57.368 56.100 0.291 0.000 0.968 446 R CB -0.556 29.853 30.300 0.183 0.000 0.861 446 R HN 0.381 nan 8.270 nan 0.000 0.440 447 I N 0.460 121.174 120.570 0.240 0.000 2.315 447 I HA -0.299 3.875 4.170 0.006 0.000 0.251 447 I C 1.238 177.483 176.117 0.214 0.000 1.125 447 I CA 1.502 62.935 61.300 0.222 0.000 1.392 447 I CB -0.386 37.631 38.000 0.028 0.000 1.065 447 I HN 0.211 nan 8.210 nan 0.000 0.424 448 Y N -1.420 119.041 120.300 0.270 0.000 2.352 448 Y HA -0.299 4.254 4.550 0.006 0.000 0.292 448 Y C 2.389 178.388 175.900 0.164 0.000 1.136 448 Y CA 1.751 60.008 58.100 0.261 0.000 1.227 448 Y CB -0.510 38.172 38.460 0.369 0.000 0.991 448 Y HN 0.333 nan 8.280 nan 0.000 0.545 449 Y N -0.671 119.596 120.300 -0.055 0.000 2.165 449 Y HA -0.374 4.180 4.550 0.006 0.000 0.286 449 Y C 1.626 177.291 175.900 -0.391 0.000 1.155 449 Y CA 1.708 59.469 58.100 -0.564 0.000 1.164 449 Y CB -0.671 36.911 38.460 -1.463 0.000 0.978 449 Y HN 0.126 nan 8.280 nan 0.000 0.513 450 Y N -1.354 119.027 120.300 0.135 0.000 2.263 450 Y HA -0.154 4.400 4.550 0.006 0.000 0.292 450 Y C 2.498 178.458 175.900 0.100 0.000 1.130 450 Y CA 1.298 59.517 58.100 0.198 0.000 1.179 450 Y CB -0.865 37.738 38.460 0.239 0.000 0.998 450 Y HN -0.051 nan 8.280 nan 0.000 0.532 451 V N 0.162 120.178 119.914 0.170 0.000 2.287 451 V HA -0.371 3.753 4.120 0.006 0.000 0.248 451 V C 2.213 178.291 176.094 -0.027 0.000 1.053 451 V CA 2.177 64.531 62.300 0.091 0.000 1.027 451 V CB -0.657 31.217 31.823 0.085 0.000 0.646 451 V HN 0.436 nan 8.190 nan 0.000 0.447 452 M N -0.780 118.715 119.600 -0.175 0.000 2.132 452 M HA -0.169 4.315 4.480 0.006 0.000 0.263 452 M C 2.448 178.366 176.300 -0.637 0.000 1.065 452 M CA 1.848 56.834 55.300 -0.524 0.000 1.122 452 M CB -0.442 31.561 32.600 -0.995 0.000 1.365 452 M HN 0.180 nan 8.290 nan 0.000 0.411 453 R N -0.611 119.526 120.500 -0.605 0.000 2.093 453 R HA -0.112 4.232 4.340 0.006 0.000 0.224 453 R C 1.256 177.369 176.300 -0.312 0.000 1.101 453 R CA 1.522 57.355 56.100 -0.445 0.000 0.979 453 R CB 0.215 30.007 30.300 -0.847 0.000 0.877 453 R HN 0.336 nan 8.270 nan 0.000 0.441 454 Y N -1.417 118.964 120.300 0.135 0.000 2.664 454 Y HA 0.196 4.750 4.550 0.006 0.000 0.278 454 Y C 1.896 177.884 175.900 0.148 0.000 1.130 454 Y CA -0.317 57.897 58.100 0.190 0.000 1.260 454 Y CB 0.196 38.746 38.460 0.150 0.000 1.369 454 Y HN -0.109 nan 8.280 nan 0.000 0.499 455 I N -0.133 120.583 120.570 0.244 0.000 2.206 455 I HA -0.156 4.017 4.170 0.006 0.000 0.239 455 I C 1.970 178.172 176.117 0.142 0.000 1.078 455 I CA 1.496 62.903 61.300 0.178 0.000 1.367 455 I CB -1.480 36.587 38.000 0.112 0.000 1.078 455 I HN 0.180 nan 8.210 nan 0.000 0.413 456 T N 2.992 117.573 114.554 0.045 0.000 2.607 456 T HA -0.107 4.246 4.350 0.006 0.000 0.267 456 T C -0.365 174.377 174.700 0.070 0.000 1.049 456 T CA 2.015 64.124 62.100 0.015 0.000 1.162 456 T CB -1.698 67.121 68.868 -0.081 0.000 0.863 456 T HN 0.272 nan 8.240 nan 0.000 0.424 457 P HA -0.044 nan 4.420 nan 0.000 0.216 457 P C 1.418 178.776 177.300 0.096 0.000 1.150 457 P CA 1.538 64.611 63.100 -0.045 0.000 0.837 457 P CB -0.220 31.351 31.700 -0.215 0.000 0.786 458 A N -0.578 122.353 122.820 0.185 0.000 1.855 458 A HA -0.157 4.167 4.320 0.006 0.000 0.215 458 A C 2.180 179.864 177.584 0.167 0.000 1.191 458 A CA 1.167 53.314 52.037 0.183 0.000 0.613 458 A CB -1.827 17.289 19.000 0.195 0.000 0.829 458 A HN 0.062 nan 8.150 nan 0.000 0.442 459 F N 0.666 120.644 119.950 0.046 0.000 2.063 459 F HA -0.267 4.264 4.527 0.006 0.000 0.298 459 F C 2.067 177.897 175.800 0.049 0.000 1.105 459 F CA 2.253 60.274 58.000 0.036 0.000 1.215 459 F CB -0.255 38.776 39.000 0.051 0.000 0.972 459 F HN 0.149 nan 8.300 nan 0.000 0.483 460 L N -0.964 120.425 121.223 0.277 0.000 2.156 460 L HA -0.143 4.201 4.340 0.006 0.000 0.208 460 L C 2.654 179.570 176.870 0.076 0.000 1.095 460 L CA 0.946 55.893 54.840 0.179 0.000 0.770 460 L CB -1.073 41.092 42.059 0.178 0.000 0.914 460 L HN 0.216 nan 8.230 nan 0.000 0.439 461 A N -0.254 122.605 122.820 0.065 0.000 1.929 461 A HA -0.090 4.234 4.320 0.006 0.000 0.216 461 A C 2.330 179.928 177.584 0.023 0.000 1.176 461 A CA 1.264 53.332 52.037 0.051 0.000 0.628 461 A CB -0.611 18.431 19.000 0.070 0.000 0.816 461 A HN 0.159 nan 8.150 nan 0.000 0.444 462 V N 0.237 120.145 119.914 -0.009 0.000 2.237 462 V HA -0.273 3.851 4.120 0.006 0.000 0.245 462 V C 2.552 178.602 176.094 -0.073 0.000 1.046 462 V CA 2.064 64.329 62.300 -0.058 0.000 1.007 462 V CB -1.038 30.714 31.823 -0.118 0.000 0.638 462 V HN 0.683 nan 8.190 nan 0.000 0.445 463 L N -0.252 120.906 121.223 -0.108 0.000 2.013 463 L HA -0.218 4.126 4.340 0.006 0.000 0.212 463 L C 2.256 179.117 176.870 -0.014 0.000 1.073 463 L CA 2.042 56.840 54.840 -0.070 0.000 0.753 463 L CB -0.571 41.460 42.059 -0.047 0.000 0.890 463 L HN 0.208 nan 8.230 nan 0.000 0.432 464 L N -1.270 119.956 121.223 0.005 0.000 2.046 464 L HA -0.213 4.131 4.340 0.006 0.000 0.208 464 L C 2.516 179.401 176.870 0.025 0.000 1.077 464 L CA 1.308 56.161 54.840 0.022 0.000 0.747 464 L CB -0.501 41.586 42.059 0.047 0.000 0.896 464 L HN 0.204 nan 8.230 nan 0.000 0.432 465 V N -0.294 119.633 119.914 0.022 0.000 2.255 465 V HA -0.212 3.911 4.120 0.006 0.000 0.247 465 V C 1.450 177.556 176.094 0.020 0.000 1.051 465 V CA 1.007 63.322 62.300 0.025 0.000 1.018 465 V CB -0.328 31.507 31.823 0.019 0.000 0.641 465 V HN 0.114 nan 8.190 nan 0.000 0.445 480 H N 0.805 119.872 119.070 -0.004 0.000 2.852 480 H HA 0.062 4.621 4.556 0.006 0.000 0.362 480 H C 1.177 176.528 175.328 0.038 0.000 1.122 480 H CA 0.759 56.805 56.048 -0.004 0.000 1.419 480 H CB 0.604 30.293 29.762 -0.122 0.000 1.401 480 H HN 0.837 nan 8.280 nan 0.000 0.609 481 W N 3.888 125.058 121.300 -0.216 0.000 2.465 481 W HA -0.140 4.524 4.660 0.006 0.000 0.268 481 W C 1.156 177.811 176.519 0.227 0.000 1.242 481 W CA 1.148 58.532 57.345 0.066 0.000 1.248 481 W CB -1.038 28.392 29.460 -0.050 0.000 1.118 481 W HN 0.536 nan 8.180 nan 0.000 0.587 482 T N 0.539 114.783 114.554 -0.517 0.000 2.962 482 T HA -0.197 4.157 4.350 0.006 0.000 0.270 482 T C 2.026 176.682 174.700 -0.073 0.000 1.088 482 T CA 1.814 63.623 62.100 -0.486 0.000 1.127 482 T CB -1.147 67.379 68.868 -0.570 0.000 0.883 482 T HN 0.193 nan 8.240 nan 0.000 0.493 483 V N -1.789 118.106 119.914 -0.032 0.000 2.439 483 V HA -0.196 3.928 4.120 0.006 0.000 0.253 483 V C 2.205 178.269 176.094 -0.050 0.000 1.074 483 V CA 1.341 63.602 62.300 -0.064 0.000 1.076 483 V CB -1.634 30.087 31.823 -0.170 0.000 0.664 483 V HN 0.643 nan 8.190 nan 0.000 0.461 484 W N 0.324 121.730 121.300 0.177 0.000 2.374 484 W HA 0.080 4.744 4.660 0.007 0.000 0.288 484 W C 2.384 179.055 176.519 0.252 0.000 1.218 484 W CA 1.183 58.656 57.345 0.213 0.000 1.245 484 W CB -0.382 29.207 29.460 0.216 0.000 1.126 484 W HN 0.229 nan 8.180 nan 0.000 0.545 485 I N -0.443 120.367 120.570 0.400 0.000 2.163 485 I HA -0.331 3.842 4.170 0.006 0.000 0.243 485 I C 2.244 178.584 176.117 0.372 0.000 1.085 485 I CA 1.615 63.130 61.300 0.358 0.000 1.347 485 I CB -1.066 37.063 38.000 0.215 0.000 1.044 485 I HN -0.118 nan 8.210 nan 0.000 0.408 486 T N 0.194 114.903 114.554 0.258 0.000 2.812 486 T HA -0.070 4.284 4.350 0.006 0.000 0.264 486 T C 2.031 176.904 174.700 0.288 0.000 1.042 486 T CA 0.983 63.235 62.100 0.253 0.000 1.140 486 T CB -0.159 68.811 68.868 0.171 0.000 0.870 486 T HN 0.257 nan 8.240 nan 0.000 0.445 487 R N 0.300 120.930 120.500 0.217 0.000 2.083 487 R HA -0.076 4.268 4.340 0.006 0.000 0.237 487 R C 2.199 178.659 176.300 0.267 0.000 1.137 487 R CA 1.640 57.822 56.100 0.137 0.000 0.951 487 R CB -0.608 29.665 30.300 -0.045 0.000 0.851 487 R HN 0.362 nan 8.270 nan 0.000 0.434 488 F N 0.419 120.529 119.950 0.266 0.000 2.095 488 F HA -0.278 4.252 4.527 0.006 0.000 0.298 488 F C 2.182 178.132 175.800 0.249 0.000 1.104 488 F CA 1.441 59.594 58.000 0.256 0.000 1.232 488 F CB -0.517 38.650 39.000 0.280 0.000 0.987 488 F HN -0.003 nan 8.300 nan 0.000 0.475 489 Y N 1.443 121.796 120.300 0.088 0.000 2.200 489 Y HA -0.158 4.395 4.550 0.006 0.000 0.290 489 Y C 2.232 178.164 175.900 0.054 0.000 1.137 489 Y CA 2.227 60.320 58.100 -0.011 0.000 1.163 489 Y CB -0.572 37.964 38.460 0.127 0.000 0.988 489 Y HN 0.271 nan 8.280 nan 0.000 0.518 490 I N -2.409 118.271 120.570 0.184 0.000 2.761 490 I HA -0.076 4.098 4.170 0.006 0.000 0.261 490 I C 1.844 178.172 176.117 0.351 0.000 1.198 490 I CA 1.043 62.514 61.300 0.284 0.000 1.482 490 I CB -0.538 37.713 38.000 0.419 0.000 1.100 490 I HN 0.142 nan 8.210 nan 0.000 0.445 491 I N 2.437 123.067 120.570 0.100 0.000 2.252 491 I HA -0.130 4.044 4.170 0.006 0.000 0.245 491 I C 2.815 178.885 176.117 -0.079 0.000 1.102 491 I CA 1.560 62.834 61.300 -0.044 0.000 1.385 491 I CB -0.851 37.100 38.000 -0.081 0.000 1.064 491 I HN 0.361 nan 8.210 nan 0.000 0.414 492 G N 1.212 109.878 108.800 -0.225 0.000 2.440 492 G HA2 -0.220 3.744 3.960 0.006 0.000 0.218 492 G HA3 -0.220 3.744 3.960 0.006 0.000 0.218 492 G C 1.728 176.558 174.900 -0.117 0.000 1.154 492 G CA 0.564 45.508 45.100 -0.259 0.000 0.767 492 G HN 0.260 nan 8.290 nan 0.000 0.552 493 L N -0.922 120.232 121.223 -0.114 0.000 2.042 493 L HA -0.071 4.273 4.340 0.006 0.000 0.210 493 L C 2.567 179.585 176.870 0.247 0.000 1.076 493 L CA 1.262 56.165 54.840 0.105 0.000 0.749 493 L CB -0.387 41.767 42.059 0.159 0.000 0.893 493 L HN 0.279 nan 8.230 nan 0.000 0.432 494 F N 0.316 120.273 119.950 0.012 0.000 2.146 494 F HA -0.207 4.323 4.527 0.006 0.000 0.298 494 F C 2.209 177.884 175.800 -0.208 0.000 1.096 494 F CA 1.376 59.198 58.000 -0.298 0.000 1.275 494 F CB 0.002 38.527 39.000 -0.791 0.000 1.008 494 F HN -0.110 nan 8.300 nan 0.000 0.480 495 L N -0.969 120.299 121.223 0.075 0.000 2.083 495 L HA -0.202 4.142 4.340 0.006 0.000 0.209 495 L C 2.386 179.275 176.870 0.031 0.000 1.083 495 L CA 1.263 56.121 54.840 0.031 0.000 0.752 495 L CB -1.002 41.065 42.059 0.013 0.000 0.899 495 L HN 0.244 nan 8.230 nan 0.000 0.433 496 F N 1.023 120.925 119.950 -0.079 0.000 2.134 496 F HA -0.180 4.351 4.527 0.006 0.000 0.299 496 F C 2.093 177.875 175.800 -0.030 0.000 1.097 496 F CA 1.479 59.463 58.000 -0.026 0.000 1.264 496 F CB -0.292 38.681 39.000 -0.047 0.000 1.001 496 F HN -0.133 nan 8.300 nan 0.000 0.479 497 L N -0.428 120.551 121.223 -0.406 0.000 2.109 497 L HA -0.166 4.178 4.340 0.006 0.000 0.207 497 L C 2.337 178.877 176.870 -0.549 0.000 1.086 497 L CA 1.565 56.022 54.840 -0.638 0.000 0.760 497 L CB -1.171 40.556 42.059 -0.554 0.000 0.910 497 L HN 0.114 nan 8.230 nan 0.000 0.437 498 T N -0.156 114.120 114.554 -0.464 0.000 2.788 498 T HA -0.221 4.133 4.350 0.006 0.000 0.268 498 T C 1.619 176.256 174.700 -0.105 0.000 1.044 498 T CA 1.387 63.293 62.100 -0.322 0.000 1.139 498 T CB -0.349 68.376 68.868 -0.238 0.000 0.867 498 T HN 0.208 nan 8.240 nan 0.000 0.454 499 F N 1.635 121.460 119.950 -0.209 0.000 2.171 499 F HA 0.039 4.570 4.527 0.006 0.000 0.300 499 F C 1.837 177.604 175.800 -0.054 0.000 1.090 499 F CA 0.872 58.808 58.000 -0.108 0.000 1.293 499 F CB -0.448 38.492 39.000 -0.099 0.000 1.013 499 F HN 0.074 nan 8.300 nan 0.000 0.486 500 L N -1.064 119.985 121.223 -0.289 0.000 2.156 500 L HA -0.154 4.189 4.340 0.006 0.000 0.208 500 L C 2.327 179.167 176.870 -0.049 0.000 1.095 500 L CA 0.646 55.324 54.840 -0.270 0.000 0.770 500 L CB -0.751 41.136 42.059 -0.286 0.000 0.914 500 L HN -0.011 nan 8.230 nan 0.000 0.439 501 V N -0.109 119.755 119.914 -0.084 0.000 2.343 501 V HA -0.319 3.805 4.120 0.006 0.000 0.247 501 V C 2.256 178.322 176.094 -0.047 0.000 1.051 501 V CA 1.942 64.245 62.300 0.006 0.000 1.036 501 V CB -0.601 31.146 31.823 -0.127 0.000 0.654 501 V HN 0.376 nan 8.190 nan 0.000 0.451 502 F N 0.467 120.290 119.950 -0.211 0.000 2.126 502 F HA -0.189 4.341 4.527 0.006 0.000 0.299 502 F C 2.038 177.681 175.800 -0.262 0.000 1.096 502 F CA 1.745 59.619 58.000 -0.210 0.000 1.255 502 F CB -0.226 38.666 39.000 -0.180 0.000 0.997 502 F HN 0.031 nan 8.300 nan 0.000 0.479 503 L N -0.026 120.996 121.223 -0.336 0.000 2.131 503 L HA -0.168 4.176 4.340 0.006 0.000 0.210 503 L C 2.784 179.453 176.870 -0.335 0.000 1.092 503 L CA 0.993 55.584 54.840 -0.413 0.000 0.759 503 L CB -1.120 40.702 42.059 -0.395 0.000 0.903 503 L HN 0.312 nan 8.230 nan 0.000 0.435 504 A N 0.795 123.469 122.820 -0.244 0.000 1.897 504 A HA -0.202 4.122 4.320 0.006 0.000 0.215 504 A C 2.210 179.663 177.584 -0.218 0.000 1.181 504 A CA 1.502 53.413 52.037 -0.211 0.000 0.620 504 A CB -0.432 18.473 19.000 -0.159 0.000 0.821 504 A HN 0.602 nan 8.150 nan 0.000 0.443 505 E N -0.584 119.463 120.200 -0.255 0.000 2.150 505 E HA -0.177 4.177 4.350 0.006 0.000 0.193 505 E C 1.815 178.242 176.600 -0.288 0.000 0.985 505 E CA 0.765 57.009 56.400 -0.260 0.000 0.814 505 E CB -0.286 29.247 29.700 -0.279 0.000 0.752 505 E HN 0.429 nan 8.360 nan 0.000 0.466 506 R N 0.699 120.953 120.500 -0.409 0.000 2.153 506 R HA 0.048 4.391 4.340 0.006 0.000 0.218 506 R C 2.356 178.537 176.300 -0.198 0.000 1.072 506 R CA 0.628 56.517 56.100 -0.350 0.000 0.990 506 R CB -0.461 29.536 30.300 -0.505 0.000 0.889 506 R HN 0.232 nan 8.270 nan 0.000 0.452 507 R N 1.245 121.629 120.500 -0.193 0.000 2.115 507 R HA -0.019 4.325 4.340 0.006 0.000 0.230 507 R C 2.036 178.300 176.300 -0.059 0.000 1.111 507 R CA 0.873 56.903 56.100 -0.117 0.000 0.976 507 R CB 0.063 30.278 30.300 -0.141 0.000 0.870 507 R HN 0.120 nan 8.270 nan 0.000 0.445 508 R N 0.325 120.774 120.500 -0.084 0.000 2.073 508 R HA -0.101 4.242 4.340 0.006 0.000 0.234 508 R C 1.906 178.187 176.300 -0.032 0.000 1.134 508 R CA 1.540 57.611 56.100 -0.049 0.000 0.952 508 R CB -0.474 29.794 30.300 -0.053 0.000 0.850 508 R HN 0.297 nan 8.270 nan 0.000 0.433 509 N N 0.338 119.011 118.700 -0.046 0.000 2.025 509 N HA -0.156 4.588 4.740 0.006 0.000 0.194 509 N C 1.144 176.648 175.510 -0.010 0.000 1.044 509 N CA 0.952 53.982 53.050 -0.033 0.000 0.851 509 N CB -0.904 37.552 38.487 -0.051 0.000 1.036 509 N HN 0.301 nan 8.380 nan 0.000 0.422 510 H N 0.000 119.027 119.070 -0.071 0.000 2.539 510 H HA 0.000 4.560 4.556 0.006 0.000 0.296 510 H CA 0.000 56.014 56.048 -0.057 0.000 1.023 510 H CB 0.000 29.725 29.762 -0.062 0.000 1.292 510 H HN 0.000 nan 8.280 nan 0.000 0.496