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 7cel_1_A DATA FIRST_RESID 2 DATA SEQUENCE SAcTLQSETH PPLTWQKcSS GGTcTQQTGS VVIDANWRWT HATNSSTNcY DATA SEQUENCE DGNTWSSTLc PDNETcAKNc cLDGAAYAST YGVTTSGNSL SIDFVTQSAQ DATA SEQUENCE KNVGARLYLM ASDTTYQEFT LLGNEFSFDV DVSQLPcGLN GALYFVSMDA DATA SEQUENCE DGGVSKYPTN TAGAKYGTGY cDSQcPRDLK FINGQANVEG WEPSSNNANT DATA SEQUENCE GIGGHGSccS EMDIWQANSI SEALTPHPcT TVGQEIcEGD GcGGTYSDNR DATA SEQUENCE YGGTcDPDGc DWNPYRLGNT SFYGPGSSFT LDTTKKLTVV TQFETSGAIN DATA SEQUENCE RYYVQNGVTF QQPNAELGSY SGNELNDDYc TAEEAEFGGS SFSDKGGLTQ DATA SEQUENCE FKKATSGGMV LVMSLWDDYY ANMLWLDSTY PTNETSSTPG AVRGScSTSS DATA SEQUENCE GVPAQVESQS PNAKVTFSNI KFGPIGSTGN PSG VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.364 174.600 -0.393 0.000 1.055 2 S CA 0.000 58.038 58.200 -0.271 0.000 1.107 2 S CB 0.000 63.076 63.200 -0.207 0.000 0.593 3 A N -0.056 122.526 122.820 -0.397 0.000 2.342 3 A HA 0.821 5.141 4.320 0.000 0.000 0.323 3 A C -0.217 177.114 177.584 -0.421 0.000 1.125 3 A CA -0.663 50.993 52.037 -0.635 0.000 0.785 3 A CB 0.756 19.302 19.000 -0.756 0.000 1.221 3 A HN 1.102 nan 8.150 nan 0.000 0.463 4 c N 0.413 118.759 118.600 -0.424 0.000 2.505 4 c HA 0.821 5.391 4.570 0.000 0.000 0.358 4 c C 1.229 175.278 174.090 -0.068 0.000 1.226 4 c CA 0.287 56.486 56.329 -0.216 0.000 1.900 4 c CB 1.866 44.221 42.510 -0.258 0.000 2.306 4 c HN 0.934 nan 8.230 nan 0.000 0.512 5 T N -0.962 113.606 114.554 0.024 0.000 3.487 5 T HA 0.251 4.601 4.350 0.000 0.000 0.287 5 T C 0.745 175.512 174.700 0.112 0.000 1.004 5 T CA -0.158 61.997 62.100 0.091 0.000 0.977 5 T CB -0.446 68.469 68.868 0.078 0.000 1.180 5 T HN 0.518 nan 8.240 nan 0.000 0.490 6 L N 0.054 121.359 121.223 0.137 0.000 2.201 6 L HA 0.128 4.468 4.340 0.000 0.000 0.212 6 L C 0.949 177.936 176.870 0.195 0.000 1.105 6 L CA 1.007 55.941 54.840 0.158 0.000 0.775 6 L CB -0.223 41.940 42.059 0.172 0.000 0.913 6 L HN 0.440 nan 8.230 nan 0.000 0.440 7 Q N -0.144 119.794 119.800 0.230 0.000 2.337 7 Q HA 0.290 4.630 4.340 0.000 0.000 0.270 7 Q C -0.348 175.766 176.000 0.191 0.000 1.043 7 Q CA -0.464 55.468 55.803 0.215 0.000 0.794 7 Q CB 2.261 31.164 28.738 0.275 0.000 1.281 7 Q HN 0.132 nan 8.270 nan 0.000 0.446 8 S N 0.932 116.718 115.700 0.143 0.000 2.562 8 S HA 0.171 4.641 4.470 0.000 0.000 0.281 8 S C -0.067 174.602 174.600 0.114 0.000 1.333 8 S CA -0.575 57.694 58.200 0.115 0.000 1.052 8 S CB 1.069 64.315 63.200 0.076 0.000 0.884 8 S HN 0.609 nan 8.310 nan 0.000 0.506 9 E N 1.516 121.749 120.200 0.055 0.000 2.063 9 E HA 0.367 4.717 4.350 0.000 0.000 0.265 9 E C -1.217 175.260 176.600 -0.204 0.000 0.919 9 E CA -0.339 56.033 56.400 -0.047 0.000 0.756 9 E CB 0.610 30.180 29.700 -0.218 0.000 1.120 9 E HN 0.638 nan 8.360 nan 0.000 0.414 10 T N 4.864 119.358 114.554 -0.099 0.000 2.842 10 T HA 0.261 4.612 4.350 0.000 0.000 0.308 10 T C -0.752 173.804 174.700 -0.240 0.000 1.041 10 T CA -0.608 61.390 62.100 -0.170 0.000 0.964 10 T CB 0.052 68.897 68.868 -0.040 0.000 0.972 10 T HN 0.456 nan 8.240 nan 0.000 0.460 11 H N 3.297 122.273 119.070 -0.157 0.000 2.899 11 H HA 0.231 4.787 4.556 0.000 0.000 0.303 11 H C -2.241 172.896 175.328 -0.318 0.000 1.042 11 H CA -1.649 54.201 56.048 -0.330 0.000 1.479 11 H CB 0.176 29.831 29.762 -0.178 0.000 1.493 11 H HN 0.276 nan 8.280 nan 0.000 0.534 12 P HA -0.004 nan 4.420 nan 0.000 0.267 12 P C -2.394 174.858 177.300 -0.081 0.000 1.209 12 P CA -1.075 61.906 63.100 -0.199 0.000 0.763 12 P CB 0.376 31.930 31.700 -0.243 0.000 0.816 13 P HA 0.169 nan 4.420 nan 0.000 0.272 13 P C -1.075 176.249 177.300 0.039 0.000 1.223 13 P CA 0.032 63.142 63.100 0.017 0.000 0.784 13 P CB 0.687 32.400 31.700 0.022 0.000 0.923 14 L N 2.144 123.415 121.223 0.080 0.000 2.562 14 L HA 0.387 4.727 4.340 0.000 0.000 0.266 14 L C -0.394 176.597 176.870 0.202 0.000 0.949 14 L CA -0.065 54.848 54.840 0.121 0.000 0.879 14 L CB 1.723 43.848 42.059 0.111 0.000 1.278 14 L HN 0.531 nan 8.230 nan 0.000 0.404 15 T N 1.261 115.921 114.554 0.177 0.000 2.934 15 T HA 0.813 5.163 4.350 0.000 0.000 0.283 15 T C -0.549 174.341 174.700 0.317 0.000 1.005 15 T CA -0.495 61.711 62.100 0.175 0.000 1.041 15 T CB 1.304 70.210 68.868 0.063 0.000 1.042 15 T HN 0.736 nan 8.240 nan 0.000 0.505 16 W N -0.439 120.904 121.300 0.073 0.000 2.988 16 W HA 0.543 5.203 4.660 0.000 0.000 0.355 16 W C -1.545 175.029 176.519 0.092 0.000 1.233 16 W CA -1.087 56.312 57.345 0.090 0.000 1.176 16 W CB 0.916 30.460 29.460 0.139 0.000 1.477 16 W HN 0.502 nan 8.180 nan 0.000 0.582 17 Q N 1.886 121.878 119.800 0.319 0.000 2.337 17 Q HA 0.384 4.724 4.340 0.000 0.000 0.266 17 Q C -1.061 175.095 176.000 0.259 0.000 1.023 17 Q CA -0.750 55.119 55.803 0.109 0.000 0.829 17 Q CB 3.448 32.250 28.738 0.108 0.000 1.306 17 Q HN 0.462 nan 8.270 nan 0.000 0.449 18 K N 1.812 122.244 120.400 0.053 0.000 2.307 18 K HA 0.470 4.790 4.320 0.000 0.000 0.263 18 K C -1.105 175.560 176.600 0.108 0.000 0.973 18 K CA -0.324 56.090 56.287 0.211 0.000 0.846 18 K CB 0.819 33.382 32.500 0.103 0.000 1.100 18 K HN 0.679 nan 8.250 nan 0.000 0.438 19 c N 1.937 120.606 118.600 0.114 0.000 2.399 19 c HA 0.657 5.227 4.570 0.000 0.000 0.348 19 c C 0.137 174.238 174.090 0.019 0.000 1.183 19 c CA -0.694 55.663 56.329 0.046 0.000 2.023 19 c CB 1.150 43.682 42.510 0.037 0.000 2.361 19 c HN 0.925 nan 8.230 nan 0.000 0.521 20 S N -0.053 115.652 115.700 0.008 0.000 2.638 20 S HA 0.448 4.918 4.470 0.000 0.000 0.302 20 S C 0.641 175.239 174.600 -0.003 0.000 1.096 20 S CA 0.122 58.323 58.200 0.001 0.000 0.953 20 S CB 1.408 64.611 63.200 0.005 0.000 1.107 20 S HN 0.976 nan 8.310 nan 0.000 0.503 21 S N 0.612 116.308 115.700 -0.005 0.000 2.440 21 S HA -0.007 4.463 4.470 0.000 0.000 0.238 21 S C 1.791 176.390 174.600 -0.000 0.000 1.010 21 S CA 0.955 59.153 58.200 -0.003 0.000 0.972 21 S CB -1.307 61.892 63.200 -0.002 0.000 0.774 21 S HN 1.188 nan 8.310 nan 0.000 0.501 22 G N 0.792 109.592 108.800 0.000 0.000 2.679 22 G HA2 0.359 4.319 3.960 0.000 0.000 0.212 22 G HA3 0.359 4.319 3.960 0.000 0.000 0.212 22 G C 1.067 175.967 174.900 0.001 0.000 1.137 22 G CA 0.147 45.248 45.100 0.001 0.000 0.787 22 G HN 1.472 nan 8.290 nan 0.000 0.534 23 G N -1.074 107.728 108.800 0.002 0.000 2.144 23 G HA2 -0.091 3.869 3.960 0.000 0.000 0.218 23 G HA3 -0.091 3.869 3.960 0.000 0.000 0.218 23 G C 0.272 175.175 174.900 0.004 0.000 0.988 23 G CA 0.659 45.761 45.100 0.003 0.000 0.659 23 G HN 1.380 nan 8.290 nan 0.000 0.522 24 T N -2.379 112.177 114.554 0.004 0.000 2.907 24 T HA 0.695 5.045 4.350 0.000 0.000 0.292 24 T C -0.203 174.500 174.700 0.006 0.000 1.043 24 T CA -0.381 61.721 62.100 0.004 0.000 1.003 24 T CB 2.764 71.631 68.868 -0.001 0.000 1.084 24 T HN 0.703 nan 8.240 nan 0.000 0.483 25 c N 2.317 120.921 118.600 0.006 0.000 2.507 25 c HA 0.919 5.489 4.570 0.000 0.000 0.319 25 c C 0.489 174.573 174.090 -0.011 0.000 1.208 25 c CA -0.666 55.668 56.329 0.009 0.000 1.619 25 c CB 1.252 43.776 42.510 0.023 0.000 2.230 25 c HN 1.179 nan 8.230 nan 0.000 0.492 26 T N -0.067 114.468 114.554 -0.032 0.000 2.863 26 T HA 0.489 4.839 4.350 0.000 0.000 0.285 26 T C -0.837 173.789 174.700 -0.124 0.000 1.009 26 T CA -0.508 61.552 62.100 -0.066 0.000 0.989 26 T CB 1.441 70.267 68.868 -0.071 0.000 1.004 26 T HN 0.779 nan 8.240 nan 0.000 0.455 27 Q N 1.630 121.356 119.800 -0.124 0.000 2.332 27 Q HA 0.231 4.571 4.340 0.000 0.000 0.263 27 Q C -0.673 175.151 176.000 -0.294 0.000 0.979 27 Q CA -0.285 55.412 55.803 -0.177 0.000 0.885 27 Q CB 0.504 29.180 28.738 -0.104 0.000 1.218 27 Q HN 0.555 nan 8.270 nan 0.000 0.405 28 Q N 2.145 121.639 119.800 -0.511 0.000 2.345 28 Q HA 0.440 4.780 4.340 0.000 0.000 0.268 28 Q C -1.155 174.581 176.000 -0.441 0.000 1.054 28 Q CA -0.529 54.868 55.803 -0.676 0.000 0.835 28 Q CB 2.389 30.176 28.738 -1.585 0.000 1.339 28 Q HN 0.614 nan 8.270 nan 0.000 0.447 29 T N 0.974 115.402 114.554 -0.208 0.000 2.786 29 T HA 0.715 5.066 4.350 0.000 0.000 0.283 29 T C -0.121 174.630 174.700 0.086 0.000 0.992 29 T CA -0.501 61.578 62.100 -0.034 0.000 0.954 29 T CB 1.392 70.247 68.868 -0.022 0.000 0.934 29 T HN 0.694 nan 8.240 nan 0.000 0.440 30 G N 1.604 110.526 108.800 0.204 0.000 3.262 30 G HA2 0.863 4.824 3.960 0.000 0.000 0.229 30 G HA3 0.863 4.824 3.960 0.000 0.000 0.229 30 G C -0.846 174.133 174.900 0.132 0.000 1.280 30 G CA -0.608 44.628 45.100 0.227 0.000 0.951 30 G HN 0.975 nan 8.290 nan 0.000 0.589 31 S N -2.382 113.370 115.700 0.086 0.000 2.636 31 S HA 0.695 5.165 4.470 0.000 0.000 0.268 31 S C -1.050 173.527 174.600 -0.038 0.000 1.159 31 S CA -0.111 58.102 58.200 0.020 0.000 0.815 31 S CB 1.185 64.398 63.200 0.023 0.000 1.130 31 S HN 1.910 nan 8.310 nan 0.000 0.471 32 V N -1.394 118.466 119.914 -0.091 0.000 2.769 32 V HA 0.997 5.117 4.120 0.000 0.000 0.312 32 V C -0.510 175.499 176.094 -0.142 0.000 1.061 32 V CA -0.772 61.458 62.300 -0.117 0.000 0.931 32 V CB 1.240 32.999 31.823 -0.106 0.000 1.010 32 V HN 1.267 nan 8.190 nan 0.000 0.433 33 V N 4.986 124.859 119.914 -0.068 0.000 2.656 33 V HA 0.622 4.742 4.120 0.000 0.000 0.307 33 V C -0.410 175.717 176.094 0.055 0.000 1.051 33 V CA -0.759 61.600 62.300 0.098 0.000 0.893 33 V CB 1.802 33.621 31.823 -0.007 0.000 0.999 33 V HN 1.052 nan 8.190 nan 0.000 0.426 34 I N 4.202 124.842 120.570 0.116 0.000 2.519 34 I HA 0.328 4.498 4.170 0.000 0.000 0.287 34 I C 0.483 176.504 176.117 -0.160 0.000 1.047 34 I CA -0.118 61.025 61.300 -0.263 0.000 1.381 34 I CB 1.224 38.885 38.000 -0.566 0.000 1.417 34 I HN 0.925 nan 8.210 nan 0.000 0.540 35 D N 4.711 124.929 120.400 -0.303 0.000 2.449 35 D HA 0.078 4.718 4.640 0.000 0.000 0.236 35 D C 1.117 177.567 176.300 0.249 0.000 1.149 35 D CA 0.726 54.780 54.000 0.090 0.000 0.878 35 D CB 1.374 42.196 40.800 0.036 0.000 1.198 35 D HN 0.639 nan 8.370 nan 0.000 0.446 36 A N 3.490 126.493 122.820 0.305 0.000 1.986 36 A HA -0.273 4.047 4.320 0.000 0.000 0.220 36 A C 1.954 179.703 177.584 0.274 0.000 1.171 36 A CA 1.591 53.794 52.037 0.277 0.000 0.640 36 A CB -0.645 18.512 19.000 0.262 0.000 0.811 36 A HN 0.735 nan 8.150 nan 0.000 0.451 37 N N -1.028 117.848 118.700 0.293 0.000 2.289 37 N HA -0.137 4.603 4.740 0.000 0.000 0.184 37 N C 1.312 176.871 175.510 0.081 0.000 1.016 37 N CA 1.067 54.190 53.050 0.120 0.000 0.872 37 N CB -0.237 38.241 38.487 -0.015 0.000 0.973 37 N HN 0.747 nan 8.380 nan 0.000 0.433 38 W N 1.171 122.464 121.300 -0.012 0.000 2.905 38 W HA 0.097 4.757 4.660 0.000 0.000 0.251 38 W C 0.424 177.005 176.519 0.104 0.000 1.305 38 W CA -0.219 57.130 57.345 0.007 0.000 1.465 38 W CB 0.138 29.464 29.460 -0.224 0.000 1.122 38 W HN 0.008 nan 8.180 nan 0.000 0.659 39 R N -0.414 120.271 120.500 0.308 0.000 2.583 39 R HA 0.066 4.406 4.340 0.000 0.000 0.268 39 R C -0.373 176.150 176.300 0.373 0.000 1.101 39 R CA -0.744 55.553 56.100 0.329 0.000 1.180 39 R CB 0.392 30.855 30.300 0.272 0.000 1.128 39 R HN -0.236 nan 8.270 nan 0.000 0.568 40 W N 1.665 123.083 121.300 0.196 0.000 2.311 40 W HA 0.162 4.822 4.660 0.000 0.000 0.310 40 W C -0.987 175.641 176.519 0.183 0.000 1.274 40 W CA -0.257 57.200 57.345 0.187 0.000 1.215 40 W CB 0.761 30.342 29.460 0.202 0.000 1.227 40 W HN 0.306 nan 8.180 nan 0.000 0.523 41 T N 7.476 122.188 114.554 0.262 0.000 2.791 41 T HA 0.376 4.726 4.350 0.000 0.000 0.288 41 T C -0.828 173.846 174.700 -0.043 0.000 0.999 41 T CA -0.208 61.910 62.100 0.031 0.000 0.952 41 T CB 0.690 69.676 68.868 0.197 0.000 0.938 41 T HN 0.488 nan 8.240 nan 0.000 0.444 42 H N 0.626 119.486 119.070 -0.350 0.000 2.941 42 H HA 0.823 5.379 4.556 0.000 0.000 0.344 42 H C -0.300 174.914 175.328 -0.190 0.000 1.235 42 H CA -1.291 54.578 56.048 -0.299 0.000 1.149 42 H CB 0.569 29.941 29.762 -0.651 0.000 1.885 42 H HN 0.635 nan 8.280 nan 0.000 0.558 43 A N 0.435 123.281 122.820 0.044 0.000 2.498 43 A HA 0.179 4.499 4.320 0.000 0.000 0.239 43 A C 1.555 179.114 177.584 -0.041 0.000 1.068 43 A CA 0.234 52.275 52.037 0.007 0.000 0.766 43 A CB -0.436 18.600 19.000 0.060 0.000 1.003 43 A HN 1.003 nan 8.150 nan 0.000 0.497 44 T N -0.431 114.066 114.554 -0.095 0.000 2.881 44 T HA -0.171 4.179 4.350 0.000 0.000 0.270 44 T C 0.919 175.603 174.700 -0.027 0.000 1.068 44 T CA 1.521 63.556 62.100 -0.109 0.000 1.131 44 T CB -0.445 68.363 68.868 -0.101 0.000 0.871 44 T HN 0.822 nan 8.240 nan 0.000 0.479 45 N N 1.321 120.024 118.700 0.004 0.000 2.236 45 N HA 0.160 4.900 4.740 0.000 0.000 0.196 45 N C 0.317 175.849 175.510 0.036 0.000 1.114 45 N CA 0.157 53.217 53.050 0.017 0.000 0.859 45 N CB 0.415 38.908 38.487 0.009 0.000 0.982 45 N HN 0.660 nan 8.380 nan 0.000 0.493 46 S N -1.562 114.176 115.700 0.063 0.000 2.727 46 S HA 0.411 4.881 4.470 0.000 0.000 0.278 46 S C -0.072 174.552 174.600 0.041 0.000 1.186 46 S CA -0.197 58.035 58.200 0.054 0.000 0.836 46 S CB 0.563 63.795 63.200 0.053 0.000 1.186 46 S HN 0.095 nan 8.310 nan 0.000 0.499 47 S N -0.310 115.403 115.700 0.023 0.000 2.597 47 S HA 0.251 4.721 4.470 0.000 0.000 0.224 47 S C 0.263 174.991 174.600 0.214 0.000 0.955 47 S CA -0.298 57.915 58.200 0.022 0.000 0.933 47 S CB -0.749 62.569 63.200 0.197 0.000 0.788 47 S HN 0.725 nan 8.310 nan 0.000 0.488 48 T N 4.364 119.013 114.554 0.159 0.000 2.834 48 T HA 0.210 4.560 4.350 0.000 0.000 0.298 48 T C 0.100 174.942 174.700 0.237 0.000 0.966 48 T CA -0.242 61.965 62.100 0.177 0.000 1.141 48 T CB 0.049 68.985 68.868 0.113 0.000 0.905 48 T HN 0.339 nan 8.240 nan 0.000 0.535 49 N N 1.417 120.290 118.700 0.289 0.000 2.492 49 N HA 0.087 4.827 4.740 0.000 0.000 0.260 49 N C 0.713 176.341 175.510 0.196 0.000 1.215 49 N CA -0.312 52.925 53.050 0.312 0.000 0.923 49 N CB 0.407 39.065 38.487 0.285 0.000 1.092 49 N HN 0.620 nan 8.380 nan 0.000 0.448 50 c N 0.714 119.436 118.600 0.203 0.000 2.674 50 c HA 0.185 4.755 4.570 0.000 0.000 0.276 50 c C 0.156 174.378 174.090 0.220 0.000 1.300 50 c CA -0.038 56.431 56.329 0.233 0.000 1.732 50 c CB -1.163 41.527 42.510 0.299 0.000 2.076 50 c HN 0.697 nan 8.230 nan 0.000 0.548 51 Y N 0.672 120.917 120.300 -0.091 0.000 2.457 51 Y HA 0.602 5.152 4.550 0.000 0.000 0.343 51 Y C -1.373 174.417 175.900 -0.184 0.000 0.994 51 Y CA -0.635 57.229 58.100 -0.393 0.000 1.031 51 Y CB 0.930 38.893 38.460 -0.829 0.000 1.246 51 Y HN 0.016 nan 8.280 nan 0.000 0.449 52 D N 3.171 123.193 120.400 -0.630 0.000 2.927 52 D HA 0.492 5.132 4.640 0.000 0.000 0.219 52 D C 0.418 176.410 176.300 -0.514 0.000 1.248 52 D CA 1.007 54.784 54.000 -0.371 0.000 0.861 52 D CB 2.055 42.753 40.800 -0.169 0.000 1.677 52 D HN 0.967 nan 8.370 nan 0.000 0.511 53 G N 3.911 112.522 108.800 -0.316 0.000 2.620 53 G HA2 -0.331 3.629 3.960 0.000 0.000 0.315 53 G HA3 -0.331 3.629 3.960 0.000 0.000 0.315 53 G C 0.392 175.089 174.900 -0.339 0.000 1.179 53 G CA 0.878 45.834 45.100 -0.240 0.000 0.971 53 G HN 0.831 nan 8.290 nan 0.000 0.544 54 N N 0.966 119.479 118.700 -0.311 0.000 2.377 54 N HA 0.398 5.138 4.740 0.000 0.000 0.259 54 N C 0.095 175.555 175.510 -0.083 0.000 1.332 54 N CA 1.011 53.980 53.050 -0.135 0.000 0.877 54 N CB 0.301 38.840 38.487 0.087 0.000 1.299 54 N HN 1.190 nan 8.380 nan 0.000 0.501 55 T N -4.293 109.930 114.554 -0.551 0.000 2.896 55 T HA 0.605 4.955 4.350 0.000 0.000 0.297 55 T C -0.996 173.354 174.700 -0.583 0.000 1.108 55 T CA -0.775 61.135 62.100 -0.317 0.000 1.004 55 T CB 1.214 70.037 68.868 -0.075 0.000 1.159 55 T HN 0.151 nan 8.240 nan 0.000 0.499 56 W N 0.878 122.006 121.300 -0.287 0.000 2.359 56 W HA 0.597 5.257 4.660 0.000 0.000 0.344 56 W C 0.941 177.387 176.519 -0.122 0.000 1.170 56 W CA -0.565 56.661 57.345 -0.199 0.000 1.296 56 W CB 1.250 30.562 29.460 -0.247 0.000 1.197 56 W HN 0.748 nan 8.180 nan 0.000 0.618 57 S N 1.197 117.025 115.700 0.212 0.000 2.465 57 S HA 0.024 4.494 4.470 0.000 0.000 0.280 57 S C 1.282 175.943 174.600 0.103 0.000 1.232 57 S CA 0.082 58.353 58.200 0.118 0.000 1.066 57 S CB 0.409 63.680 63.200 0.118 0.000 0.929 57 S HN 0.527 nan 8.310 nan 0.000 0.494 58 S N 3.466 119.204 115.700 0.064 0.000 2.447 58 S HA -0.122 4.348 4.470 0.000 0.000 0.233 58 S C 1.797 176.409 174.600 0.019 0.000 1.006 58 S CA 1.257 59.479 58.200 0.036 0.000 0.957 58 S CB -0.936 62.282 63.200 0.030 0.000 0.773 58 S HN 0.920 nan 8.310 nan 0.000 0.507 59 T N 0.283 114.853 114.554 0.026 0.000 2.939 59 T HA 0.269 4.619 4.350 0.000 0.000 0.254 59 T C 1.799 176.510 174.700 0.018 0.000 1.041 59 T CA 0.336 62.447 62.100 0.018 0.000 1.142 59 T CB -0.639 68.242 68.868 0.021 0.000 0.874 59 T HN 0.336 nan 8.240 nan 0.000 0.452 60 L N 0.215 121.460 121.223 0.036 0.000 2.240 60 L HA 0.225 4.565 4.340 0.000 0.000 0.211 60 L C 0.832 177.714 176.870 0.019 0.000 1.106 60 L CA 0.321 55.185 54.840 0.040 0.000 0.793 60 L CB 0.020 42.123 42.059 0.074 0.000 0.927 60 L HN 0.372 nan 8.230 nan 0.000 0.446 61 c N 0.488 119.092 118.600 0.008 0.000 3.273 61 c HA 0.261 4.832 4.570 0.000 0.000 0.227 61 c C -0.920 173.096 174.090 -0.123 0.000 1.409 61 c CA -0.919 55.359 56.329 -0.085 0.000 1.516 61 c CB 0.044 42.482 42.510 -0.119 0.000 1.853 61 c HN 0.224 nan 8.230 nan 0.000 0.472 62 P HA -0.014 nan 4.420 nan 0.000 0.225 62 P C 0.037 177.269 177.300 -0.113 0.000 1.156 62 P CA 1.644 64.697 63.100 -0.079 0.000 0.787 62 P CB 0.540 32.211 31.700 -0.048 0.000 0.802 63 D N -2.554 117.757 120.400 -0.148 0.000 2.639 63 D HA 0.067 4.707 4.640 0.000 0.000 0.271 63 D C 0.125 176.296 176.300 -0.215 0.000 1.254 63 D CA -0.587 53.315 54.000 -0.164 0.000 0.810 63 D CB 0.139 40.879 40.800 -0.100 0.000 1.351 63 D HN -0.367 nan 8.370 nan 0.000 0.427 64 N N 0.481 119.056 118.700 -0.209 0.000 2.069 64 N HA -0.150 4.590 4.740 0.000 0.000 0.191 64 N C 1.344 176.775 175.510 -0.131 0.000 1.031 64 N CA 1.457 54.377 53.050 -0.216 0.000 0.852 64 N CB -0.100 38.300 38.487 -0.144 0.000 1.018 64 N HN 0.501 nan 8.380 nan 0.000 0.423 65 E N -0.148 120.005 120.200 -0.078 0.000 2.028 65 E HA -0.070 4.280 4.350 0.000 0.000 0.191 65 E C 1.748 178.326 176.600 -0.038 0.000 0.988 65 E CA 1.386 57.762 56.400 -0.040 0.000 0.799 65 E CB -0.114 29.571 29.700 -0.026 0.000 0.755 65 E HN 0.334 nan 8.360 nan 0.000 0.447 66 T N 0.863 115.386 114.554 -0.051 0.000 2.720 66 T HA -0.229 4.121 4.350 0.000 0.000 0.268 66 T C 2.074 176.752 174.700 -0.037 0.000 1.037 66 T CA 1.146 63.221 62.100 -0.041 0.000 1.144 66 T CB -0.614 68.227 68.868 -0.045 0.000 0.864 66 T HN 0.299 nan 8.240 nan 0.000 0.444 67 c N 1.668 120.223 118.600 -0.074 0.000 2.413 67 c HA 0.035 4.605 4.570 0.000 0.000 0.276 67 c C 3.159 177.286 174.090 0.062 0.000 1.236 67 c CA 0.806 57.099 56.329 -0.060 0.000 1.735 67 c CB -1.480 40.873 42.510 -0.262 0.000 2.031 67 c HN 0.614 nan 8.230 nan 0.000 0.474 68 A N 0.116 122.984 122.820 0.079 0.000 1.933 68 A HA -0.160 4.160 4.320 0.000 0.000 0.218 68 A C 2.204 179.806 177.584 0.031 0.000 1.175 68 A CA 1.777 53.902 52.037 0.147 0.000 0.628 68 A CB -0.515 18.557 19.000 0.121 0.000 0.814 68 A HN 0.790 nan 8.150 nan 0.000 0.444 69 K N -0.481 119.922 120.400 0.006 0.000 2.155 69 K HA -0.033 4.287 4.320 0.000 0.000 0.203 69 K C 1.222 177.806 176.600 -0.027 0.000 1.052 69 K CA 1.151 57.427 56.287 -0.018 0.000 0.948 69 K CB -0.131 32.359 32.500 -0.016 0.000 0.728 69 K HN 0.339 nan 8.250 nan 0.000 0.448 70 N N 0.077 118.771 118.700 -0.011 0.000 2.416 70 N HA -0.008 4.732 4.740 0.000 0.000 0.177 70 N C 0.183 175.677 175.510 -0.027 0.000 1.036 70 N CA 0.448 53.490 53.050 -0.013 0.000 0.901 70 N CB 0.111 38.602 38.487 0.007 0.000 0.976 70 N HN 0.095 nan 8.380 nan 0.000 0.444 71 c N 0.702 119.294 118.600 -0.013 0.000 2.454 71 c HA 0.738 5.308 4.570 0.000 0.000 0.336 71 c C 0.645 174.612 174.090 -0.205 0.000 1.189 71 c CA -1.454 54.844 56.329 -0.051 0.000 1.877 71 c CB 0.761 43.368 42.510 0.161 0.000 2.348 71 c HN 0.515 nan 8.230 nan 0.000 0.508 72 c N 1.219 119.600 118.600 -0.364 0.000 2.994 72 c HA 0.854 5.424 4.570 0.000 0.000 0.304 72 c C -0.814 172.950 174.090 -0.544 0.000 1.273 72 c CA -0.932 55.105 56.329 -0.487 0.000 1.537 72 c CB -0.259 41.943 42.510 -0.514 0.000 2.001 72 c HN 0.867 nan 8.230 nan 0.000 0.471 73 L N 1.814 122.730 121.223 -0.512 0.000 2.360 73 L HA 0.577 4.917 4.340 0.000 0.000 0.271 73 L C 0.163 176.816 176.870 -0.363 0.000 1.057 73 L CA 0.209 54.839 54.840 -0.350 0.000 0.803 73 L CB 1.000 42.906 42.059 -0.255 0.000 1.207 73 L HN 0.760 nan 8.230 nan 0.000 0.445 74 D N -0.125 120.242 120.400 -0.056 0.000 2.553 74 D HA 0.379 5.019 4.640 0.000 0.000 0.249 74 D C -0.306 176.225 176.300 0.385 0.000 1.062 74 D CA -0.320 53.754 54.000 0.123 0.000 1.085 74 D CB 2.352 43.281 40.800 0.214 0.000 1.350 74 D HN 0.576 nan 8.370 nan 0.000 0.575 75 G N -0.732 108.311 108.800 0.406 0.000 2.636 75 G HA2 0.473 4.433 3.960 0.000 0.000 0.246 75 G HA3 0.473 4.433 3.960 0.000 0.000 0.246 75 G C -0.784 174.288 174.900 0.286 0.000 1.216 75 G CA -0.006 45.300 45.100 0.344 0.000 0.854 75 G HN 0.415 nan 8.290 nan 0.000 0.572 76 A N -0.354 122.580 122.820 0.189 0.000 2.371 76 A HA 0.751 5.071 4.320 0.000 0.000 0.311 76 A C 0.160 177.816 177.584 0.119 0.000 1.068 76 A CA -0.125 52.003 52.037 0.152 0.000 0.744 76 A CB 1.689 20.593 19.000 -0.160 0.000 1.239 76 A HN 1.820 nan 8.150 nan 0.000 0.435 77 A N 1.955 124.876 122.820 0.168 0.000 2.798 77 A HA 0.511 4.831 4.320 0.000 0.000 0.316 77 A C 0.376 178.067 177.584 0.177 0.000 1.506 77 A CA -0.394 51.729 52.037 0.144 0.000 1.162 77 A CB -0.869 18.163 19.000 0.055 0.000 1.138 77 A HN 0.815 nan 8.150 nan 0.000 0.532 78 Y N 1.909 122.354 120.300 0.242 0.000 2.040 78 Y HA -0.360 4.190 4.550 0.000 0.000 0.275 78 Y C 2.621 178.633 175.900 0.186 0.000 1.171 78 Y CA 2.843 61.093 58.100 0.250 0.000 1.123 78 Y CB -0.471 38.071 38.460 0.135 0.000 0.963 78 Y HN 0.647 nan 8.280 nan 0.000 0.493 79 A N -0.482 122.498 122.820 0.267 0.000 1.840 79 A HA -0.162 4.158 4.320 0.000 0.000 0.214 79 A C 2.436 180.073 177.584 0.088 0.000 1.198 79 A CA 2.007 54.140 52.037 0.160 0.000 0.608 79 A CB -1.249 17.826 19.000 0.125 0.000 0.839 79 A HN 0.481 nan 8.150 nan 0.000 0.443 80 S N -1.425 114.307 115.700 0.052 0.000 2.402 80 S HA -0.084 4.386 4.470 0.000 0.000 0.229 80 S C 1.651 176.201 174.600 -0.082 0.000 1.021 80 S CA 1.898 60.094 58.200 -0.006 0.000 0.974 80 S CB -0.609 62.587 63.200 -0.007 0.000 0.800 80 S HN 0.446 nan 8.310 nan 0.000 0.484 81 T N -0.115 114.335 114.554 -0.174 0.000 3.042 81 T HA 0.266 4.616 4.350 0.000 0.000 0.245 81 T C 0.571 174.944 174.700 -0.546 0.000 1.029 81 T CA 0.423 62.257 62.100 -0.444 0.000 1.120 81 T CB -0.160 68.263 68.868 -0.743 0.000 0.917 81 T HN 0.531 nan 8.240 nan 0.000 0.467 82 Y N 0.538 120.856 120.300 0.030 0.000 2.467 82 Y HA 0.462 5.012 4.550 0.000 0.000 0.250 82 Y C 1.712 177.652 175.900 0.067 0.000 1.155 82 Y CA -0.713 57.414 58.100 0.044 0.000 1.249 82 Y CB 0.049 38.484 38.460 -0.041 0.000 1.146 82 Y HN 0.247 nan 8.280 nan 0.000 0.524 83 G N 1.148 110.044 108.800 0.160 0.000 2.283 83 G HA2 -0.256 3.704 3.960 0.000 0.000 0.280 83 G HA3 -0.256 3.704 3.960 0.000 0.000 0.280 83 G C -0.384 174.614 174.900 0.164 0.000 1.029 83 G CA 0.415 45.600 45.100 0.142 0.000 0.840 83 G HN 0.157 nan 8.290 nan 0.000 0.505 84 V N 1.159 121.195 119.914 0.204 0.000 2.370 84 V HA 0.819 4.939 4.120 0.000 0.000 0.283 84 V C 0.569 176.770 176.094 0.179 0.000 1.023 84 V CA 0.275 62.694 62.300 0.199 0.000 0.857 84 V CB 1.623 33.605 31.823 0.266 0.000 0.985 84 V HN 0.863 nan 8.190 nan 0.000 0.443 85 T N 0.733 115.363 114.554 0.126 0.000 2.903 85 T HA 0.839 5.189 4.350 0.000 0.000 0.299 85 T C -0.411 174.334 174.700 0.075 0.000 1.093 85 T CA -0.584 61.574 62.100 0.095 0.000 1.002 85 T CB 2.213 71.131 68.868 0.084 0.000 1.127 85 T HN 0.745 nan 8.240 nan 0.000 0.488 86 T N -2.004 112.584 114.554 0.056 0.000 2.906 86 T HA 0.796 5.146 4.350 0.000 0.000 0.295 86 T C -0.696 174.034 174.700 0.050 0.000 1.075 86 T CA -0.915 61.218 62.100 0.054 0.000 1.005 86 T CB 1.830 70.721 68.868 0.038 0.000 1.136 86 T HN 1.034 nan 8.240 nan 0.000 0.498 87 S N 0.369 116.102 115.700 0.056 0.000 2.536 87 S HA 0.577 5.048 4.470 0.000 0.000 0.246 87 S C 0.729 175.362 174.600 0.055 0.000 1.077 87 S CA 0.631 58.861 58.200 0.049 0.000 1.091 87 S CB 0.014 63.242 63.200 0.047 0.000 1.148 87 S HN 2.213 nan 8.310 nan 0.000 0.447 88 G N 5.408 114.238 108.800 0.051 0.000 2.602 88 G HA2 -0.376 3.585 3.960 0.000 0.000 0.310 88 G HA3 -0.376 3.585 3.960 0.000 0.000 0.310 88 G C 0.429 175.375 174.900 0.076 0.000 1.183 88 G CA 0.800 45.932 45.100 0.055 0.000 0.979 88 G HN 1.423 nan 8.290 nan 0.000 0.545 89 N N 0.855 119.606 118.700 0.085 0.000 2.268 89 N HA 0.392 5.132 4.740 0.000 0.000 0.204 89 N C 0.342 175.924 175.510 0.121 0.000 1.124 89 N CA 1.100 54.219 53.050 0.115 0.000 0.838 89 N CB 0.790 39.346 38.487 0.114 0.000 0.994 89 N HN 0.730 nan 8.380 nan 0.000 0.489 90 S N 0.240 116.002 115.700 0.104 0.000 2.501 90 S HA 0.676 5.146 4.470 0.000 0.000 0.301 90 S C -1.281 173.386 174.600 0.111 0.000 1.096 90 S CA -0.819 57.447 58.200 0.111 0.000 1.063 90 S CB 0.632 63.884 63.200 0.087 0.000 1.042 90 S HN 0.294 nan 8.310 nan 0.000 0.494 91 L N 3.770 125.077 121.223 0.141 0.000 2.410 91 L HA 0.757 5.097 4.340 0.000 0.000 0.270 91 L C -0.942 176.015 176.870 0.145 0.000 0.983 91 L CA 0.127 55.052 54.840 0.142 0.000 0.822 91 L CB 2.081 44.239 42.059 0.164 0.000 1.285 91 L HN 0.598 nan 8.230 nan 0.000 0.409 92 S N 5.456 121.224 115.700 0.113 0.000 2.500 92 S HA 0.762 5.232 4.470 0.000 0.000 0.301 92 S C -0.730 173.937 174.600 0.112 0.000 1.092 92 S CA -0.415 57.839 58.200 0.091 0.000 1.030 92 S CB 1.359 64.600 63.200 0.069 0.000 1.031 92 S HN 0.528 nan 8.310 nan 0.000 0.483 93 I N 2.324 122.962 120.570 0.113 0.000 2.447 93 I HA 0.347 4.517 4.170 0.000 0.000 0.287 93 I C -0.927 175.281 176.117 0.151 0.000 1.023 93 I CA -0.790 60.596 61.300 0.144 0.000 1.083 93 I CB 1.827 39.932 38.000 0.176 0.000 1.245 93 I HN 0.386 nan 8.210 nan 0.000 0.434 94 D N 3.915 124.413 120.400 0.163 0.000 2.264 94 D HA 0.118 4.758 4.640 0.000 0.000 0.249 94 D C 0.513 176.972 176.300 0.265 0.000 1.070 94 D CA -0.239 53.868 54.000 0.179 0.000 0.912 94 D CB 1.541 42.424 40.800 0.138 0.000 1.193 94 D HN 0.325 nan 8.370 nan 0.000 0.427 95 F N 1.873 121.879 119.950 0.093 0.000 2.053 95 F HA -0.022 4.505 4.527 0.000 0.000 0.292 95 F C 0.485 176.362 175.800 0.128 0.000 1.125 95 F CA 0.871 58.938 58.000 0.111 0.000 1.193 95 F CB 0.128 39.173 39.000 0.074 0.000 0.996 95 F HN 0.073 nan 8.300 nan 0.000 0.470 96 V N 1.165 121.051 119.914 -0.047 0.000 2.487 96 V HA 0.361 4.481 4.120 0.000 0.000 0.298 96 V C -0.560 175.522 176.094 -0.020 0.000 1.028 96 V CA -0.592 61.616 62.300 -0.153 0.000 0.860 96 V CB 1.402 33.088 31.823 -0.228 0.000 0.991 96 V HN 0.154 nan 8.190 nan 0.000 0.427 97 T N 4.800 119.348 114.554 -0.010 0.000 2.812 97 T HA 0.436 4.786 4.350 0.000 0.000 0.282 97 T C -0.672 174.009 174.700 -0.031 0.000 0.990 97 T CA -0.567 61.532 62.100 -0.002 0.000 0.960 97 T CB 1.514 70.390 68.868 0.013 0.000 0.948 97 T HN 0.507 nan 8.240 nan 0.000 0.438 98 Q N 2.287 122.068 119.800 -0.032 0.000 2.325 98 Q HA 0.563 4.903 4.340 0.000 0.000 0.262 98 Q C 0.158 176.127 176.000 -0.052 0.000 0.968 98 Q CA -0.318 55.460 55.803 -0.042 0.000 0.877 98 Q CB 2.016 30.735 28.738 -0.031 0.000 1.253 98 Q HN 0.930 nan 8.270 nan 0.000 0.448 99 S N 1.113 116.770 115.700 -0.070 0.000 4.057 99 S HA 0.462 4.933 4.470 0.000 0.000 0.197 99 S C 1.167 175.719 174.600 -0.080 0.000 1.154 99 S CA 0.249 58.402 58.200 -0.079 0.000 1.556 99 S CB -0.222 62.911 63.200 -0.112 0.000 1.405 99 S HN 0.430 nan 8.310 nan 0.000 0.786 100 A N 0.939 123.699 122.820 -0.099 0.000 1.929 100 A HA 0.254 4.574 4.320 0.000 0.000 0.216 100 A C 0.948 178.478 177.584 -0.089 0.000 1.176 100 A CA 1.574 53.552 52.037 -0.098 0.000 0.628 100 A CB -0.824 18.100 19.000 -0.127 0.000 0.816 100 A HN 0.786 nan 8.150 nan 0.000 0.444 101 Q N -1.525 118.219 119.800 -0.094 0.000 2.668 101 Q HA 0.635 4.975 4.340 0.000 0.000 0.298 101 Q C -0.631 175.329 176.000 -0.067 0.000 1.071 101 Q CA -0.938 54.820 55.803 -0.076 0.000 0.789 101 Q CB 0.822 29.515 28.738 -0.075 0.000 1.497 101 Q HN 0.183 nan 8.270 nan 0.000 0.460 102 K N 0.640 121.009 120.400 -0.050 0.000 2.201 102 K HA 0.445 4.766 4.320 0.000 0.000 0.278 102 K C -1.134 175.450 176.600 -0.026 0.000 1.027 102 K CA -0.364 55.898 56.287 -0.043 0.000 0.909 102 K CB 0.636 33.113 32.500 -0.038 0.000 1.062 102 K HN 0.703 nan 8.250 nan 0.000 0.465 103 N N 2.429 121.122 118.700 -0.012 0.000 2.321 103 N HA 0.303 5.043 4.740 0.000 0.000 0.299 103 N C -1.882 173.665 175.510 0.061 0.000 1.048 103 N CA -0.692 52.398 53.050 0.066 0.000 0.836 103 N CB 1.854 40.414 38.487 0.121 0.000 1.269 103 N HN 0.201 nan 8.380 nan 0.000 0.486 104 V N 3.212 123.198 119.914 0.121 0.000 2.326 104 V HA 0.722 4.842 4.120 0.000 0.000 0.281 104 V C 1.032 177.333 176.094 0.345 0.000 1.015 104 V CA 0.142 62.482 62.300 0.066 0.000 0.823 104 V CB 0.062 31.896 31.823 0.017 0.000 1.009 104 V HN 1.049 nan 8.190 nan 0.000 0.436 105 G N 4.334 113.346 108.800 0.354 0.000 2.601 105 G HA2 0.282 4.242 3.960 0.000 0.000 0.261 105 G HA3 0.282 4.242 3.960 0.000 0.000 0.261 105 G C -0.034 175.136 174.900 0.450 0.000 1.289 105 G CA 0.181 45.561 45.100 0.467 0.000 0.920 105 G HN 2.152 nan 8.290 nan 0.000 0.571 106 A N -1.238 121.721 122.820 0.231 0.000 2.583 106 A HA 0.849 5.169 4.320 0.000 0.000 0.292 106 A C -0.450 176.807 177.584 -0.545 0.000 1.045 106 A CA 0.712 52.460 52.037 -0.482 0.000 0.672 106 A CB 1.367 20.115 19.000 -0.420 0.000 1.283 106 A HN 1.684 nan 8.150 nan 0.000 0.419 107 R N 0.912 120.717 120.500 -1.158 0.000 2.451 107 R HA 0.726 5.066 4.340 0.000 0.000 0.307 107 R C -1.842 173.883 176.300 -0.959 0.000 0.965 107 R CA -0.423 55.201 56.100 -0.794 0.000 0.865 107 R CB 0.853 30.748 30.300 -0.674 0.000 1.174 107 R HN 0.687 nan 8.270 nan 0.000 0.455 108 L N 4.034 124.779 121.223 -0.796 0.000 2.341 108 L HA 0.599 4.939 4.340 0.000 0.000 0.267 108 L C -1.183 175.154 176.870 -0.887 0.000 1.009 108 L CA -1.116 53.269 54.840 -0.759 0.000 0.819 108 L CB 1.697 43.532 42.059 -0.372 0.000 1.323 108 L HN 0.514 nan 8.230 nan 0.000 0.425 109 Y N 1.128 121.279 120.300 -0.249 0.000 2.446 109 Y HA 0.523 5.073 4.550 0.000 0.000 0.345 109 Y C -0.339 175.440 175.900 -0.202 0.000 0.984 109 Y CA -1.028 56.883 58.100 -0.314 0.000 1.058 109 Y CB 1.744 39.929 38.460 -0.458 0.000 1.220 109 Y HN 0.283 nan 8.280 nan 0.000 0.455 110 L N 4.069 125.256 121.223 -0.060 0.000 2.319 110 L HA 0.444 4.784 4.340 0.000 0.000 0.280 110 L C -0.656 176.258 176.870 0.072 0.000 1.099 110 L CA -0.029 54.793 54.840 -0.030 0.000 0.828 110 L CB 0.113 42.123 42.059 -0.081 0.000 1.150 110 L HN 0.616 nan 8.230 nan 0.000 0.442 111 M N 4.169 123.808 119.600 0.064 0.000 2.478 111 M HA 0.417 4.897 4.480 0.000 0.000 0.327 111 M C 0.924 177.269 176.300 0.075 0.000 1.187 111 M CA -0.306 55.037 55.300 0.072 0.000 1.022 111 M CB 1.748 34.312 32.600 -0.058 0.000 1.629 111 M HN 0.777 nan 8.290 nan 0.000 0.461 112 A N 1.175 124.027 122.820 0.054 0.000 1.911 112 A HA 0.144 4.465 4.320 0.000 0.000 0.212 112 A C 0.946 178.553 177.584 0.038 0.000 1.189 112 A CA 1.189 53.261 52.037 0.058 0.000 0.639 112 A CB 0.041 19.054 19.000 0.021 0.000 0.839 112 A HN 0.844 nan 8.150 nan 0.000 0.449 113 S N -2.416 113.287 115.700 0.005 0.000 2.806 113 S HA 0.372 4.842 4.470 0.000 0.000 0.306 113 S C -0.074 174.523 174.600 -0.006 0.000 1.167 113 S CA -0.123 58.080 58.200 0.004 0.000 0.847 113 S CB 0.681 63.877 63.200 -0.006 0.000 1.216 113 S HN 0.117 nan 8.310 nan 0.000 0.532 114 D N 0.820 121.239 120.400 0.032 0.000 2.310 114 D HA -0.002 4.638 4.640 0.000 0.000 0.212 114 D C 1.113 177.444 176.300 0.052 0.000 0.965 114 D CA 1.814 55.875 54.000 0.102 0.000 0.879 114 D CB 0.047 40.909 40.800 0.104 0.000 0.921 114 D HN 0.780 nan 8.370 nan 0.000 0.510 115 T N -3.081 111.456 114.554 -0.028 0.000 3.043 115 T HA 0.123 4.473 4.350 0.000 0.000 0.272 115 T C 0.568 175.167 174.700 -0.168 0.000 0.990 115 T CA -0.380 61.676 62.100 -0.073 0.000 0.897 115 T CB 0.676 69.522 68.868 -0.035 0.000 1.111 115 T HN -0.015 nan 8.240 nan 0.000 0.529 116 T N -0.462 113.984 114.554 -0.179 0.000 2.903 116 T HA 0.681 5.031 4.350 0.000 0.000 0.299 116 T C -1.373 173.223 174.700 -0.174 0.000 1.093 116 T CA -0.785 61.182 62.100 -0.222 0.000 1.002 116 T CB 1.447 70.251 68.868 -0.107 0.000 1.127 116 T HN 0.038 nan 8.240 nan 0.000 0.488 117 Y N 1.026 121.289 120.300 -0.062 0.000 2.301 117 Y HA 0.552 5.102 4.550 0.000 0.000 0.325 117 Y C 0.766 176.625 175.900 -0.068 0.000 1.203 117 Y CA -0.900 57.160 58.100 -0.066 0.000 1.255 117 Y CB 0.939 39.349 38.460 -0.082 0.000 1.232 117 Y HN 0.707 nan 8.280 nan 0.000 0.501 118 Q N 2.594 122.462 119.800 0.113 0.000 2.288 118 Q HA 0.182 4.522 4.340 0.000 0.000 0.258 118 Q C -1.095 174.846 176.000 -0.098 0.000 0.957 118 Q CA -0.094 55.674 55.803 -0.059 0.000 0.919 118 Q CB 0.507 29.166 28.738 -0.131 0.000 1.185 118 Q HN 0.467 nan 8.270 nan 0.000 0.408 119 E N 3.626 123.721 120.200 -0.176 0.000 2.191 119 E HA 0.339 4.689 4.350 0.000 0.000 0.278 119 E C -0.940 175.485 176.600 -0.293 0.000 0.972 119 E CA -0.372 55.962 56.400 -0.110 0.000 0.804 119 E CB 0.980 30.643 29.700 -0.060 0.000 1.110 119 E HN 0.508 nan 8.360 nan 0.000 0.394 120 F N 0.182 120.009 119.950 -0.204 0.000 2.520 120 F HA 0.259 4.786 4.527 0.000 0.000 0.322 120 F C 0.522 176.136 175.800 -0.309 0.000 1.103 120 F CA -0.651 57.123 58.000 -0.377 0.000 0.926 120 F CB 2.006 40.611 39.000 -0.657 0.000 1.154 120 F HN 0.034 nan 8.300 nan 0.000 0.453 121 T N 4.978 119.551 114.554 0.031 0.000 2.853 121 T HA 0.326 4.676 4.350 0.000 0.000 0.317 121 T C 1.301 176.046 174.700 0.075 0.000 1.059 121 T CA -0.363 61.741 62.100 0.007 0.000 0.954 121 T CB 0.456 69.354 68.868 0.050 0.000 0.994 121 T HN 0.491 nan 8.240 nan 0.000 0.479 122 L N 2.342 123.440 121.223 -0.208 0.000 2.156 122 L HA 0.143 4.483 4.340 0.000 0.000 0.208 122 L C 1.109 177.871 176.870 -0.179 0.000 1.095 122 L CA 0.289 54.919 54.840 -0.349 0.000 0.770 122 L CB -0.253 41.112 42.059 -1.157 0.000 0.914 122 L HN 0.446 nan 8.230 nan 0.000 0.439 123 L N 1.337 122.483 121.223 -0.129 0.000 2.601 123 L HA 0.126 4.466 4.340 0.000 0.000 0.277 123 L C 1.173 178.083 176.870 0.067 0.000 1.219 123 L CA 1.336 56.184 54.840 0.013 0.000 0.915 123 L CB 0.225 42.277 42.059 -0.012 0.000 1.160 123 L HN 0.361 nan 8.230 nan 0.000 0.494 124 G N 2.452 111.324 108.800 0.120 0.000 2.205 124 G HA2 -0.285 3.676 3.960 0.000 0.000 0.261 124 G HA3 -0.285 3.676 3.960 0.000 0.000 0.261 124 G C 0.525 175.468 174.900 0.072 0.000 0.980 124 G CA 0.334 45.486 45.100 0.087 0.000 0.632 124 G HN 0.675 nan 8.290 nan 0.000 0.533 125 N N 0.490 119.249 118.700 0.099 0.000 2.592 125 N HA 0.607 5.347 4.740 0.000 0.000 0.292 125 N C -0.298 175.319 175.510 0.178 0.000 1.260 125 N CA 0.057 53.113 53.050 0.009 0.000 0.910 125 N CB 1.349 39.711 38.487 -0.209 0.000 1.257 125 N HN 0.728 nan 8.380 nan 0.000 0.569 126 E N -0.488 119.761 120.200 0.080 0.000 2.340 126 E HA 0.478 4.828 4.350 0.000 0.000 0.273 126 E C -1.702 175.098 176.600 0.333 0.000 0.891 126 E CA -0.718 55.821 56.400 0.231 0.000 0.757 126 E CB 1.979 31.742 29.700 0.104 0.000 1.231 126 E HN 0.345 nan 8.360 nan 0.000 0.439 127 F N 1.804 121.933 119.950 0.298 0.000 2.507 127 F HA 0.542 5.069 4.527 0.000 0.000 0.325 127 F C -0.863 175.075 175.800 0.230 0.000 1.116 127 F CA -0.437 57.776 58.000 0.356 0.000 0.930 127 F CB 2.173 41.433 39.000 0.433 0.000 1.146 127 F HN 0.519 nan 8.300 nan 0.000 0.447 128 S N 6.269 121.801 115.700 -0.281 0.000 2.542 128 S HA 0.878 5.348 4.470 0.000 0.000 0.293 128 S C -1.373 173.112 174.600 -0.192 0.000 1.089 128 S CA -0.368 57.719 58.200 -0.188 0.000 0.961 128 S CB 0.976 64.087 63.200 -0.149 0.000 1.062 128 S HN 0.684 nan 8.310 nan 0.000 0.483 129 F N 0.530 120.351 119.950 -0.216 0.000 2.703 129 F HA 0.676 5.203 4.527 0.000 0.000 0.308 129 F C -1.567 174.186 175.800 -0.079 0.000 1.126 129 F CA -1.057 56.864 58.000 -0.132 0.000 0.959 129 F CB 0.544 39.517 39.000 -0.045 0.000 1.297 129 F HN 0.312 nan 8.300 nan 0.000 0.441 130 D N 1.608 122.034 120.400 0.042 0.000 2.181 130 D HA 0.631 5.271 4.640 0.000 0.000 0.248 130 D C -1.116 175.257 176.300 0.122 0.000 1.020 130 D CA -0.299 53.678 54.000 -0.038 0.000 0.891 130 D CB 2.387 43.200 40.800 0.022 0.000 1.187 130 D HN 0.663 nan 8.370 nan 0.000 0.443 131 V N 1.199 121.115 119.914 0.004 0.000 2.932 131 V HA 0.360 4.480 4.120 0.000 0.000 0.307 131 V C -1.889 174.218 176.094 0.021 0.000 1.147 131 V CA -0.706 61.635 62.300 0.068 0.000 0.951 131 V CB 2.515 34.424 31.823 0.143 0.000 1.031 131 V HN 0.456 nan 8.190 nan 0.000 0.426 132 D N 3.879 124.272 120.400 -0.012 0.000 2.462 132 D HA 0.361 5.001 4.640 0.000 0.000 0.245 132 D C 0.345 176.637 176.300 -0.014 0.000 1.122 132 D CA 0.030 54.023 54.000 -0.010 0.000 0.864 132 D CB 1.836 42.622 40.800 -0.024 0.000 1.098 132 D HN 0.559 nan 8.370 nan 0.000 0.541 133 V N 1.816 121.754 119.914 0.041 0.000 3.483 133 V HA 0.118 4.238 4.120 0.000 0.000 0.301 133 V C 1.735 177.808 176.094 -0.035 0.000 1.389 133 V CA 0.623 62.948 62.300 0.042 0.000 1.101 133 V CB -0.352 31.578 31.823 0.180 0.000 0.971 133 V HN 0.449 nan 8.190 nan 0.000 0.434 134 S N 0.525 116.194 115.700 -0.052 0.000 2.419 134 S HA -0.211 4.259 4.470 0.000 0.000 0.235 134 S C 1.612 176.166 174.600 -0.076 0.000 1.019 134 S CA 1.411 59.565 58.200 -0.077 0.000 0.982 134 S CB -0.516 62.647 63.200 -0.063 0.000 0.789 134 S HN 0.633 nan 8.310 nan 0.000 0.490 135 Q N 0.652 120.413 119.800 -0.066 0.000 2.246 135 Q HA 0.410 4.750 4.340 0.000 0.000 0.202 135 Q C -0.408 175.531 176.000 -0.102 0.000 0.883 135 Q CA 0.119 55.882 55.803 -0.067 0.000 0.952 135 Q CB 0.105 28.819 28.738 -0.040 0.000 1.078 135 Q HN 0.600 nan 8.270 nan 0.000 0.493 136 L N 3.430 124.580 121.223 -0.122 0.000 2.301 136 L HA 0.363 4.703 4.340 0.000 0.000 0.278 136 L C -2.125 174.632 176.870 -0.190 0.000 1.022 136 L CA -1.587 53.148 54.840 -0.175 0.000 0.854 136 L CB 1.213 43.179 42.059 -0.154 0.000 1.226 136 L HN -0.112 nan 8.230 nan 0.000 0.429 137 P HA 0.153 nan 4.420 nan 0.000 0.302 137 P C -0.256 176.906 177.300 -0.229 0.000 1.307 137 P CA -0.728 62.258 63.100 -0.190 0.000 0.754 137 P CB 0.835 32.441 31.700 -0.157 0.000 1.298 138 c N -0.935 117.539 118.600 -0.209 0.000 2.597 138 c HA 0.354 4.924 4.570 0.000 0.000 0.412 138 c C 2.003 175.938 174.090 -0.259 0.000 1.348 138 c CA 2.016 58.204 56.329 -0.235 0.000 1.769 138 c CB -1.293 41.102 42.510 -0.192 0.000 2.641 138 c HN 0.974 nan 8.230 nan 0.000 0.612 139 G N 1.832 110.443 108.800 -0.315 0.000 2.217 139 G HA2 -0.205 3.755 3.960 0.000 0.000 0.246 139 G HA3 -0.205 3.755 3.960 0.000 0.000 0.246 139 G C -0.330 174.340 174.900 -0.384 0.000 0.990 139 G CA 0.100 45.008 45.100 -0.320 0.000 0.627 139 G HN 0.546 nan 8.290 nan 0.000 0.522 140 L N 0.486 121.454 121.223 -0.425 0.000 2.352 140 L HA 0.798 5.138 4.340 0.000 0.000 0.269 140 L C 0.040 176.614 176.870 -0.493 0.000 1.034 140 L CA -1.020 53.528 54.840 -0.487 0.000 0.806 140 L CB 1.786 43.512 42.059 -0.555 0.000 1.244 140 L HN 0.189 nan 8.230 nan 0.000 0.447 141 N N 0.334 118.726 118.700 -0.513 0.000 2.533 141 N HA 0.432 5.172 4.740 0.000 0.000 0.289 141 N C -0.917 174.540 175.510 -0.087 0.000 1.103 141 N CA -0.352 52.430 53.050 -0.447 0.000 0.877 141 N CB 1.963 39.916 38.487 -0.890 0.000 1.419 141 N HN 0.647 nan 8.380 nan 0.000 0.517 142 G N 1.617 110.464 108.800 0.079 0.000 2.428 142 G HA2 0.660 4.620 3.960 0.000 0.000 0.320 142 G HA3 0.660 4.620 3.960 0.000 0.000 0.320 142 G C -0.596 174.646 174.900 0.571 0.000 1.098 142 G CA -0.374 44.923 45.100 0.328 0.000 0.984 142 G HN 0.621 nan 8.290 nan 0.000 0.444 143 A N 2.654 125.870 122.820 0.660 0.000 2.340 143 A HA 0.848 5.168 4.320 0.000 0.000 0.331 143 A C -0.860 176.985 177.584 0.435 0.000 1.140 143 A CA -0.744 51.664 52.037 0.619 0.000 0.801 143 A CB 1.723 21.070 19.000 0.577 0.000 1.234 143 A HN 0.983 nan 8.150 nan 0.000 0.469 144 L N 2.731 124.139 121.223 0.309 0.000 2.441 144 L HA 0.776 5.116 4.340 0.000 0.000 0.270 144 L C -1.450 175.432 176.870 0.020 0.000 0.973 144 L CA -0.567 54.129 54.840 -0.240 0.000 0.842 144 L CB 1.375 42.954 42.059 -0.801 0.000 1.239 144 L HN 0.925 nan 8.230 nan 0.000 0.406 145 Y N 2.250 122.323 120.300 -0.379 0.000 2.764 145 Y HA 0.716 5.266 4.550 0.000 0.000 0.331 145 Y C -1.967 173.627 175.900 -0.510 0.000 1.280 145 Y CA -1.901 56.053 58.100 -0.244 0.000 1.065 145 Y CB 0.917 39.391 38.460 0.024 0.000 1.319 145 Y HN 0.282 nan 8.280 nan 0.000 0.453 146 F N 1.105 121.030 119.950 -0.042 0.000 2.551 146 F HA 0.747 5.274 4.527 0.000 0.000 0.316 146 F C -0.397 175.404 175.800 0.000 0.000 1.089 146 F CA -1.031 56.869 58.000 -0.168 0.000 0.915 146 F CB 2.509 41.379 39.000 -0.217 0.000 1.186 146 F HN 0.558 nan 8.300 nan 0.000 0.456 147 V N -1.226 118.747 119.914 0.099 0.000 2.925 147 V HA 0.550 4.670 4.120 0.000 0.000 0.311 147 V C -0.381 175.705 176.094 -0.013 0.000 1.104 147 V CA -0.995 61.335 62.300 0.050 0.000 0.954 147 V CB 1.605 33.403 31.823 -0.043 0.000 1.022 147 V HN 0.642 nan 8.190 nan 0.000 0.427 148 S N 4.247 119.931 115.700 -0.026 0.000 4.183 148 S HA 0.422 4.892 4.470 0.000 0.000 0.195 148 S C -0.006 174.556 174.600 -0.063 0.000 1.421 148 S CA -0.146 58.027 58.200 -0.045 0.000 0.920 148 S CB -0.967 62.208 63.200 -0.042 0.000 1.525 148 S HN 0.661 nan 8.310 nan 0.000 0.447 149 M N 1.604 121.154 119.600 -0.084 0.000 2.342 149 M HA 0.277 4.757 4.480 0.000 0.000 0.332 149 M C -0.047 176.249 176.300 -0.006 0.000 1.166 149 M CA -0.698 54.554 55.300 -0.080 0.000 1.086 149 M CB 0.643 33.127 32.600 -0.193 0.000 1.541 149 M HN 0.152 nan 8.290 nan 0.000 0.462 150 D N 1.030 121.453 120.400 0.039 0.000 2.372 150 D HA 0.167 4.807 4.640 0.000 0.000 0.243 150 D C 0.619 176.990 176.300 0.118 0.000 1.121 150 D CA 0.086 54.116 54.000 0.050 0.000 0.898 150 D CB 1.307 42.126 40.800 0.033 0.000 1.202 150 D HN 0.717 nan 8.370 nan 0.000 0.428 151 A N 2.313 125.172 122.820 0.066 0.000 2.019 151 A HA -0.191 4.129 4.320 0.000 0.000 0.219 151 A C 1.277 178.820 177.584 -0.068 0.000 1.164 151 A CA 1.484 53.559 52.037 0.063 0.000 0.644 151 A CB -0.173 18.830 19.000 0.006 0.000 0.805 151 A HN 0.597 nan 8.150 nan 0.000 0.449 152 D N -2.745 117.610 120.400 -0.075 0.000 2.349 152 D HA 0.293 4.933 4.640 0.000 0.000 0.214 152 D C 1.102 177.315 176.300 -0.146 0.000 1.063 152 D CA 0.718 54.630 54.000 -0.146 0.000 0.847 152 D CB -0.565 40.184 40.800 -0.086 0.000 0.933 152 D HN 0.720 nan 8.370 nan 0.000 0.513 153 G N -0.229 108.540 108.800 -0.051 0.000 2.162 153 G HA2 -0.120 3.840 3.960 0.000 0.000 0.260 153 G HA3 -0.120 3.840 3.960 0.000 0.000 0.260 153 G C 1.157 176.125 174.900 0.114 0.000 0.976 153 G CA 0.386 45.533 45.100 0.078 0.000 0.655 153 G HN 1.391 nan 8.290 nan 0.000 0.533 154 G N -2.494 106.359 108.800 0.087 0.000 2.176 154 G HA2 -0.135 3.826 3.960 0.000 0.000 0.232 154 G HA3 -0.135 3.826 3.960 0.000 0.000 0.232 154 G C 1.340 176.285 174.900 0.075 0.000 0.986 154 G CA 1.059 46.244 45.100 0.141 0.000 0.643 154 G HN 1.422 nan 8.290 nan 0.000 0.522 155 V N 1.986 121.915 119.914 0.025 0.000 2.282 155 V HA -0.241 3.879 4.120 0.000 0.000 0.249 155 V C 3.107 179.169 176.094 -0.053 0.000 1.057 155 V CA 3.401 65.702 62.300 0.001 0.000 1.032 155 V CB -0.797 31.016 31.823 -0.018 0.000 0.645 155 V HN 1.095 nan 8.190 nan 0.000 0.447 156 S N -0.182 115.464 115.700 -0.090 0.000 2.402 156 S HA -0.198 4.272 4.470 0.000 0.000 0.229 156 S C 1.895 176.378 174.600 -0.195 0.000 1.021 156 S CA 1.369 59.499 58.200 -0.116 0.000 0.974 156 S CB -0.348 62.791 63.200 -0.101 0.000 0.800 156 S HN 0.653 nan 8.310 nan 0.000 0.484 157 K N -0.177 120.012 120.400 -0.352 0.000 2.186 157 K HA 0.108 4.428 4.320 0.000 0.000 0.202 157 K C -0.532 175.617 176.600 -0.750 0.000 1.052 157 K CA 0.632 56.523 56.287 -0.661 0.000 0.965 157 K CB 0.048 31.894 32.500 -1.089 0.000 0.746 157 K HN 0.475 nan 8.250 nan 0.000 0.457 158 Y N 0.034 120.326 120.300 -0.013 0.000 2.646 158 Y HA 0.253 4.803 4.550 0.000 0.000 0.334 158 Y C -2.203 173.689 175.900 -0.015 0.000 1.004 158 Y CA -3.039 55.055 58.100 -0.010 0.000 1.301 158 Y CB 1.142 39.602 38.460 -0.000 0.000 1.093 158 Y HN -0.054 nan 8.280 nan 0.000 0.530 159 P HA -0.195 nan 4.420 nan 0.000 0.216 159 P C 1.522 178.841 177.300 0.032 0.000 1.150 159 P CA 2.236 65.355 63.100 0.030 0.000 0.843 159 P CB 0.152 31.861 31.700 0.015 0.000 0.787 160 T N -4.984 109.602 114.554 0.053 0.000 3.072 160 T HA -0.073 4.277 4.350 0.000 0.000 0.266 160 T C 0.882 175.585 174.700 0.005 0.000 1.127 160 T CA 0.322 62.437 62.100 0.024 0.000 1.107 160 T CB -0.904 67.981 68.868 0.030 0.000 0.910 160 T HN -0.017 nan 8.240 nan 0.000 0.513 161 N N 2.406 121.128 118.700 0.036 0.000 2.558 161 N HA 0.158 4.898 4.740 0.000 0.000 0.233 161 N C 0.755 176.258 175.510 -0.011 0.000 1.038 161 N CA -0.126 52.927 53.050 0.005 0.000 0.934 161 N CB 1.193 39.723 38.487 0.073 0.000 1.175 161 N HN 0.358 nan 8.380 nan 0.000 0.512 162 T N -0.426 114.095 114.554 -0.055 0.000 3.069 162 T HA 0.294 4.644 4.350 0.000 0.000 0.252 162 T C 1.405 176.078 174.700 -0.046 0.000 1.053 162 T CA 0.269 62.341 62.100 -0.047 0.000 0.964 162 T CB 0.254 69.088 68.868 -0.057 0.000 1.005 162 T HN 0.269 nan 8.240 nan 0.000 0.532 163 A N 1.719 124.496 122.820 -0.072 0.000 1.898 163 A HA 0.570 4.890 4.320 0.000 0.000 0.214 163 A C 1.864 179.533 177.584 0.142 0.000 1.183 163 A CA 0.918 52.942 52.037 -0.023 0.000 0.622 163 A CB -1.322 17.584 19.000 -0.158 0.000 0.824 163 A HN 1.306 nan 8.150 nan 0.000 0.444 164 G N -1.692 107.146 108.800 0.064 0.000 2.601 164 G HA2 0.039 3.999 3.960 0.000 0.000 0.261 164 G HA3 0.039 3.999 3.960 0.000 0.000 0.261 164 G C 1.153 176.052 174.900 -0.001 0.000 1.289 164 G CA 0.967 46.082 45.100 0.025 0.000 0.920 164 G HN 1.505 nan 8.290 nan 0.000 0.571 165 A N -0.525 122.160 122.820 -0.225 0.000 1.978 165 A HA -0.032 4.288 4.320 0.000 0.000 0.220 165 A C 2.265 179.698 177.584 -0.251 0.000 1.170 165 A CA 2.673 54.361 52.037 -0.583 0.000 0.636 165 A CB -0.453 17.785 19.000 -1.270 0.000 0.810 165 A HN 1.019 nan 8.150 nan 0.000 0.448 166 K N -1.808 118.524 120.400 -0.112 0.000 2.211 166 K HA -0.157 4.163 4.320 0.000 0.000 0.204 166 K C 0.412 176.915 176.600 -0.161 0.000 1.047 166 K CA 1.474 57.729 56.287 -0.055 0.000 0.935 166 K CB -0.202 32.276 32.500 -0.037 0.000 0.728 166 K HN 0.601 nan 8.250 nan 0.000 0.452 167 Y N -0.442 119.938 120.300 0.133 0.000 2.636 167 Y HA 0.259 4.809 4.550 0.000 0.000 0.260 167 Y C 0.761 176.770 175.900 0.180 0.000 1.177 167 Y CA 0.039 58.228 58.100 0.148 0.000 1.209 167 Y CB 1.181 39.677 38.460 0.060 0.000 1.166 167 Y HN 0.207 nan 8.280 nan 0.000 0.531 168 G N 1.686 110.672 108.800 0.310 0.000 2.273 168 G HA2 -0.311 3.649 3.960 0.000 0.000 0.280 168 G HA3 -0.311 3.649 3.960 0.000 0.000 0.280 168 G C 0.302 175.438 174.900 0.394 0.000 1.047 168 G CA 0.554 45.924 45.100 0.450 0.000 0.869 168 G HN 0.448 nan 8.290 nan 0.000 0.502 169 T N -3.535 111.197 114.554 0.297 0.000 2.881 169 T HA 0.718 5.068 4.350 0.000 0.000 0.278 169 T C 1.559 176.393 174.700 0.224 0.000 0.982 169 T CA 0.600 62.839 62.100 0.232 0.000 0.989 169 T CB 1.962 70.919 68.868 0.149 0.000 1.058 169 T HN 2.059 nan 8.240 nan 0.000 0.529 170 G N -0.391 108.522 108.800 0.188 0.000 2.157 170 G HA2 -0.251 3.709 3.960 0.000 0.000 0.239 170 G HA3 -0.251 3.709 3.960 0.000 0.000 0.239 170 G C -0.124 174.828 174.900 0.088 0.000 0.982 170 G CA 0.090 45.278 45.100 0.147 0.000 0.650 170 G HN 1.109 nan 8.290 nan 0.000 0.527 171 Y N 1.441 121.726 120.300 -0.026 0.000 2.652 171 Y HA 0.323 4.873 4.550 0.000 0.000 0.344 171 Y C 1.030 176.926 175.900 -0.006 0.000 1.254 171 Y CA 0.323 58.389 58.100 -0.057 0.000 1.480 171 Y CB 0.414 38.926 38.460 0.086 0.000 1.345 171 Y HN 1.023 nan 8.280 nan 0.000 0.617 172 c N 3.774 121.848 118.600 -0.877 0.000 3.302 172 c HA 0.777 5.347 4.570 0.000 0.000 0.347 172 c C -1.493 172.104 174.090 -0.820 0.000 1.218 172 c CA -0.590 55.360 56.329 -0.631 0.000 1.234 172 c CB 1.030 43.376 42.510 -0.274 0.000 1.551 172 c HN 1.023 nan 8.230 nan 0.000 0.501 173 D N -0.221 119.905 120.400 -0.456 0.000 2.692 173 D HA 0.439 5.079 4.640 0.000 0.000 0.303 173 D C 0.642 176.848 176.300 -0.157 0.000 1.278 173 D CA 0.230 54.071 54.000 -0.265 0.000 0.852 173 D CB 0.707 41.398 40.800 -0.181 0.000 1.375 173 D HN 1.000 nan 8.370 nan 0.000 0.453 174 S N -1.196 114.406 115.700 -0.164 0.000 2.507 174 S HA -0.168 4.302 4.470 0.000 0.000 0.235 174 S C 1.090 175.615 174.600 -0.124 0.000 0.988 174 S CA 0.686 58.801 58.200 -0.140 0.000 0.944 174 S CB -0.415 62.647 63.200 -0.230 0.000 0.762 174 S HN 0.439 nan 8.310 nan 0.000 0.526 175 Q N 0.075 119.794 119.800 -0.136 0.000 2.432 175 Q HA 0.206 4.546 4.340 0.000 0.000 0.205 175 Q C 0.700 176.688 176.000 -0.020 0.000 0.945 175 Q CA 0.223 55.974 55.803 -0.086 0.000 0.924 175 Q CB -0.878 27.818 28.738 -0.071 0.000 1.016 175 Q HN 0.697 nan 8.270 nan 0.000 0.503 176 c N 2.224 120.803 118.600 -0.035 0.000 3.896 176 c HA -0.105 4.465 4.570 0.000 0.000 0.300 176 c C -2.108 171.986 174.090 0.007 0.000 1.322 176 c CA -1.007 55.308 56.329 -0.023 0.000 2.130 176 c CB -2.137 40.366 42.510 -0.011 0.000 1.363 176 c HN 0.333 nan 8.230 nan 0.000 0.642 177 P HA 0.007 nan 4.420 nan 0.000 0.260 177 P C 0.569 177.764 177.300 -0.174 0.000 1.172 177 P CA 1.069 64.132 63.100 -0.062 0.000 0.760 177 P CB 0.396 32.105 31.700 0.016 0.000 0.773 178 R N 2.146 122.422 120.500 -0.373 0.000 2.362 178 R HA 0.023 4.363 4.340 0.000 0.000 0.227 178 R C 1.329 177.431 176.300 -0.329 0.000 0.905 178 R CA 0.213 56.167 56.100 -0.243 0.000 1.067 178 R CB 0.112 30.339 30.300 -0.121 0.000 1.078 178 R HN 0.556 nan 8.270 nan 0.000 0.516 179 D N 0.546 120.579 120.400 -0.610 0.000 2.349 179 D HA -0.058 4.582 4.640 0.000 0.000 0.215 179 D C 0.413 176.689 176.300 -0.040 0.000 1.016 179 D CA 0.093 53.858 54.000 -0.391 0.000 0.870 179 D CB 0.159 40.618 40.800 -0.569 0.000 0.917 179 D HN 0.125 nan 8.370 nan 0.000 0.524 180 L N 1.027 122.241 121.223 -0.015 0.000 2.455 180 L HA 0.122 4.462 4.340 0.000 0.000 0.272 180 L C 1.669 178.619 176.870 0.134 0.000 1.174 180 L CA -0.222 54.670 54.840 0.086 0.000 0.869 180 L CB 0.761 42.892 42.059 0.120 0.000 1.130 180 L HN -0.239 nan 8.230 nan 0.000 0.474 181 K N 2.561 122.999 120.400 0.063 0.000 2.228 181 K HA 0.080 4.400 4.320 0.000 0.000 0.202 181 K C -0.378 176.034 176.600 -0.314 0.000 1.051 181 K CA 1.062 57.306 56.287 -0.071 0.000 0.960 181 K CB 0.165 32.472 32.500 -0.322 0.000 0.743 181 K HN 0.270 nan 8.250 nan 0.000 0.458 182 F N 0.473 120.488 119.950 0.110 0.000 2.539 182 F HA 0.448 4.975 4.527 0.000 0.000 0.318 182 F C -0.467 175.354 175.800 0.035 0.000 1.135 182 F CA -0.859 57.175 58.000 0.057 0.000 0.915 182 F CB 1.453 40.484 39.000 0.052 0.000 1.176 182 F HN -0.266 nan 8.300 nan 0.000 0.440 183 I N 3.180 123.830 120.570 0.133 0.000 2.569 183 I HA 0.299 4.470 4.170 0.000 0.000 0.290 183 I C -0.665 175.369 176.117 -0.138 0.000 1.088 183 I CA -0.993 60.317 61.300 0.016 0.000 1.047 183 I CB 1.917 39.925 38.000 0.014 0.000 1.237 183 I HN 0.569 nan 8.210 nan 0.000 0.421 184 N N 4.253 122.731 118.700 -0.369 0.000 2.740 184 N HA -0.188 4.553 4.740 0.000 0.000 0.248 184 N C 0.813 176.020 175.510 -0.505 0.000 1.062 184 N CA 1.477 53.925 53.050 -1.003 0.000 0.704 184 N CB -1.085 36.799 38.487 -1.004 0.000 0.968 184 N HN 1.178 nan 8.380 nan 0.000 0.547 185 G N -1.705 107.019 108.800 -0.125 0.000 2.155 185 G HA2 -0.345 3.615 3.960 0.000 0.000 0.257 185 G HA3 -0.345 3.615 3.960 0.000 0.000 0.257 185 G C -0.110 174.831 174.900 0.068 0.000 0.983 185 G CA 0.902 46.025 45.100 0.038 0.000 0.676 185 G HN 0.610 nan 8.290 nan 0.000 0.528 186 Q N -0.827 119.019 119.800 0.076 0.000 2.484 186 Q HA 0.753 5.093 4.340 0.000 0.000 0.285 186 Q C 0.220 176.277 176.000 0.095 0.000 1.097 186 Q CA -0.480 55.374 55.803 0.084 0.000 0.802 186 Q CB 2.015 30.754 28.738 0.001 0.000 1.444 186 Q HN 0.690 nan 8.270 nan 0.000 0.429 187 A N 0.970 123.720 122.820 -0.117 0.000 2.296 187 A HA 0.241 4.561 4.320 0.000 0.000 0.264 187 A C 0.163 177.456 177.584 -0.485 0.000 1.097 187 A CA -0.131 51.529 52.037 -0.628 0.000 0.811 187 A CB 0.146 18.569 19.000 -0.962 0.000 1.072 187 A HN 0.707 nan 8.150 nan 0.000 0.495 188 N N 0.269 118.636 118.700 -0.554 0.000 2.467 188 N HA 0.105 4.846 4.740 0.000 0.000 0.278 188 N C 0.613 175.930 175.510 -0.321 0.000 1.306 188 N CA 0.225 53.124 53.050 -0.252 0.000 0.905 188 N CB 0.414 38.924 38.487 0.038 0.000 1.236 188 N HN 0.330 nan 8.380 nan 0.000 0.509 189 V N -0.134 119.281 119.914 -0.831 0.000 2.453 189 V HA 0.052 4.172 4.120 0.000 0.000 0.247 189 V C 0.380 176.286 176.094 -0.313 0.000 1.048 189 V CA 1.161 62.888 62.300 -0.955 0.000 1.049 189 V CB -0.166 30.802 31.823 -1.425 0.000 0.672 189 V HN 0.333 nan 8.190 nan 0.000 0.457 190 E N 0.227 120.259 120.200 -0.281 0.000 2.417 190 E HA 0.359 4.710 4.350 0.000 0.000 0.261 190 E C 1.044 177.593 176.600 -0.084 0.000 1.000 190 E CA 0.662 56.964 56.400 -0.164 0.000 0.919 190 E CB 0.283 29.867 29.700 -0.192 0.000 0.955 190 E HN 0.600 nan 8.360 nan 0.000 0.455 191 G N 3.519 112.316 108.800 -0.006 0.000 2.148 191 G HA2 -0.274 3.686 3.960 0.000 0.000 0.254 191 G HA3 -0.274 3.686 3.960 0.000 0.000 0.254 191 G C -0.226 174.740 174.900 0.110 0.000 0.981 191 G CA -0.257 44.857 45.100 0.024 0.000 0.670 191 G HN 0.660 nan 8.290 nan 0.000 0.528 192 W N 1.342 122.629 121.300 -0.021 0.000 2.308 192 W HA 0.502 5.162 4.660 0.000 0.000 0.324 192 W C -0.555 176.012 176.519 0.079 0.000 1.387 192 W CA 0.365 57.751 57.345 0.069 0.000 1.250 192 W CB 0.638 30.216 29.460 0.196 0.000 1.257 192 W HN 0.103 nan 8.180 nan 0.000 0.554 193 E N 7.069 127.062 120.200 -0.345 0.000 2.220 193 E HA 0.298 4.648 4.350 0.000 0.000 0.256 193 E C -2.285 174.052 176.600 -0.437 0.000 0.881 193 E CA -2.019 54.236 56.400 -0.243 0.000 0.766 193 E CB 1.864 31.475 29.700 -0.148 0.000 1.187 193 E HN 0.138 nan 8.360 nan 0.000 0.419 194 P HA 0.045 nan 4.420 nan 0.000 0.269 194 P C -0.315 176.922 177.300 -0.105 0.000 1.209 194 P CA 0.054 63.096 63.100 -0.096 0.000 0.776 194 P CB 0.648 32.386 31.700 0.064 0.000 0.876 195 S N 1.116 116.762 115.700 -0.091 0.000 2.576 195 S HA 0.066 4.536 4.470 0.000 0.000 0.276 195 S C 1.359 175.929 174.600 -0.050 0.000 1.339 195 S CA -0.141 58.014 58.200 -0.075 0.000 1.039 195 S CB 0.247 63.395 63.200 -0.087 0.000 0.902 195 S HN 0.363 nan 8.310 nan 0.000 0.516 196 S N 2.039 117.710 115.700 -0.048 0.000 2.446 196 S HA -0.065 4.405 4.470 0.000 0.000 0.225 196 S C 1.658 176.251 174.600 -0.012 0.000 1.016 196 S CA 0.594 58.778 58.200 -0.027 0.000 0.943 196 S CB -0.157 63.028 63.200 -0.025 0.000 0.786 196 S HN 0.857 nan 8.310 nan 0.000 0.508 197 N N 0.572 119.268 118.700 -0.008 0.000 2.220 197 N HA 0.078 4.818 4.740 0.000 0.000 0.195 197 N C -0.416 175.155 175.510 0.102 0.000 1.123 197 N CA 0.018 53.107 53.050 0.064 0.000 0.874 197 N CB -0.143 38.407 38.487 0.106 0.000 0.995 197 N HN 0.111 nan 8.380 nan 0.000 0.498 198 N N 0.589 119.260 118.700 -0.048 0.000 2.491 198 N HA 0.392 5.132 4.740 0.000 0.000 0.274 198 N C -0.031 175.414 175.510 -0.107 0.000 1.023 198 N CA -0.278 52.659 53.050 -0.188 0.000 0.902 198 N CB 1.961 40.101 38.487 -0.578 0.000 1.267 198 N HN 0.115 nan 8.380 nan 0.000 0.503 199 A N 3.293 126.076 122.820 -0.062 0.000 2.172 199 A HA -0.046 4.274 4.320 0.000 0.000 0.216 199 A C 1.215 178.772 177.584 -0.045 0.000 1.154 199 A CA 0.922 52.934 52.037 -0.042 0.000 0.701 199 A CB -0.075 18.907 19.000 -0.030 0.000 0.789 199 A HN 0.706 nan 8.150 nan 0.000 0.465 200 N N -0.748 117.918 118.700 -0.057 0.000 2.250 200 N HA 0.027 4.767 4.740 0.000 0.000 0.190 200 N C 0.536 176.102 175.510 0.093 0.000 1.116 200 N CA 1.059 54.107 53.050 -0.005 0.000 0.881 200 N CB 0.611 39.062 38.487 -0.061 0.000 1.006 200 N HN 0.641 nan 8.380 nan 0.000 0.491 201 T N -2.503 112.072 114.554 0.035 0.000 2.910 201 T HA 0.848 5.198 4.350 0.000 0.000 0.287 201 T C 0.270 175.023 174.700 0.088 0.000 1.050 201 T CA -0.758 61.400 62.100 0.095 0.000 1.011 201 T CB 2.623 71.461 68.868 -0.049 0.000 1.195 201 T HN 0.040 nan 8.240 nan 0.000 0.540 202 G N -0.567 108.172 108.800 -0.101 0.000 2.619 202 G HA2 0.618 4.578 3.960 0.000 0.000 0.305 202 G HA3 0.618 4.578 3.960 0.000 0.000 0.305 202 G C -1.982 172.347 174.900 -0.952 0.000 1.330 202 G CA -0.962 43.720 45.100 -0.698 0.000 0.789 202 G HN 0.898 nan 8.290 nan 0.000 0.487 203 I N 0.717 120.623 120.570 -1.107 0.000 2.499 203 I HA 0.548 4.718 4.170 0.000 0.000 0.288 203 I C 0.692 176.470 176.117 -0.564 0.000 1.048 203 I CA -0.704 60.224 61.300 -0.621 0.000 1.062 203 I CB 2.146 40.017 38.000 -0.215 0.000 1.238 203 I HN 0.715 nan 8.210 nan 0.000 0.426 204 G N 2.766 111.455 108.800 -0.185 0.000 2.613 204 G HA2 0.439 4.399 3.960 0.000 0.000 0.303 204 G HA3 0.439 4.399 3.960 0.000 0.000 0.303 204 G C 0.872 175.772 174.900 0.000 0.000 1.312 204 G CA -0.207 44.977 45.100 0.140 0.000 1.036 204 G HN 0.741 nan 8.290 nan 0.000 0.513 205 G N -1.958 106.798 108.800 -0.073 0.000 2.598 205 G HA2 0.157 4.117 3.960 0.000 0.000 0.215 205 G HA3 0.157 4.117 3.960 0.000 0.000 0.215 205 G C 0.528 175.362 174.900 -0.110 0.000 1.131 205 G CA 0.377 45.383 45.100 -0.158 0.000 0.785 205 G HN 0.624 nan 8.290 nan 0.000 0.539 206 H N -2.055 117.017 119.070 0.003 0.000 2.797 206 H HA 0.595 5.151 4.556 0.000 0.000 0.372 206 H C 0.059 175.373 175.328 -0.023 0.000 1.168 206 H CA -0.727 55.310 56.048 -0.017 0.000 1.163 206 H CB 2.202 31.943 29.762 -0.035 0.000 1.778 206 H HN 0.183 nan 8.280 nan 0.000 0.551 207 G N -0.446 108.423 108.800 0.114 0.000 2.658 207 G HA2 0.416 4.377 3.960 0.000 0.000 0.292 207 G HA3 0.416 4.377 3.960 0.000 0.000 0.292 207 G C -1.314 173.587 174.900 0.002 0.000 1.320 207 G CA -0.645 44.474 45.100 0.031 0.000 0.933 207 G HN 0.453 nan 8.290 nan 0.000 0.476 208 S N -0.881 114.808 115.700 -0.018 0.000 2.733 208 S HA 0.503 4.973 4.470 0.000 0.000 0.307 208 S C -0.263 174.293 174.600 -0.073 0.000 1.127 208 S CA -0.649 57.525 58.200 -0.043 0.000 1.097 208 S CB -0.332 62.849 63.200 -0.032 0.000 1.003 208 S HN 0.737 nan 8.310 nan 0.000 0.477 209 c N 3.847 122.411 118.600 -0.060 0.000 2.364 209 c HA 0.962 5.532 4.570 0.000 0.000 0.356 209 c C 0.409 174.460 174.090 -0.065 0.000 1.201 209 c CA -0.710 55.583 56.329 -0.061 0.000 2.227 209 c CB -0.550 41.943 42.510 -0.030 0.000 2.387 209 c HN 1.088 nan 8.230 nan 0.000 0.546 210 c N -0.093 118.470 118.600 -0.062 0.000 3.068 210 c HA 0.524 5.094 4.570 0.000 0.000 0.344 210 c C -0.433 173.658 174.090 0.001 0.000 1.223 210 c CA -0.710 55.596 56.329 -0.040 0.000 1.153 210 c CB -0.118 42.350 42.510 -0.069 0.000 1.396 210 c HN 0.846 nan 8.230 nan 0.000 0.485 211 S N 1.282 117.010 115.700 0.047 0.000 2.563 211 S HA 0.393 4.863 4.470 0.000 0.000 0.284 211 S C -0.213 174.501 174.600 0.190 0.000 1.331 211 S CA 0.339 58.631 58.200 0.153 0.000 1.047 211 S CB 0.297 63.570 63.200 0.121 0.000 0.859 211 S HN 0.879 nan 8.310 nan 0.000 0.514 212 E N 1.194 121.598 120.200 0.341 0.000 2.290 212 E HA 0.440 4.790 4.350 0.000 0.000 0.274 212 E C -1.543 175.369 176.600 0.521 0.000 0.889 212 E CA -0.705 55.897 56.400 0.336 0.000 0.760 212 E CB 1.036 30.806 29.700 0.116 0.000 1.206 212 E HN 0.433 nan 8.360 nan 0.000 0.419 213 M N 4.608 124.532 119.600 0.541 0.000 2.023 213 M HA 0.321 4.801 4.480 0.000 0.000 0.325 213 M C -1.676 174.920 176.300 0.493 0.000 0.963 213 M CA -0.535 55.112 55.300 0.577 0.000 0.928 213 M CB 0.967 33.960 32.600 0.655 0.000 1.429 213 M HN 0.258 nan 8.290 nan 0.000 0.404 214 D N 6.238 126.880 120.400 0.403 0.000 2.435 214 D HA 0.126 4.766 4.640 0.000 0.000 0.230 214 D C 1.286 177.807 176.300 0.367 0.000 1.215 214 D CA 0.041 54.252 54.000 0.352 0.000 0.947 214 D CB 0.601 41.559 40.800 0.263 0.000 1.048 214 D HN 0.581 nan 8.370 nan 0.000 0.512 215 I N 0.203 121.025 120.570 0.419 0.000 2.252 215 I HA -0.109 4.061 4.170 0.000 0.000 0.245 215 I C 0.931 177.401 176.117 0.589 0.000 1.102 215 I CA 1.123 62.695 61.300 0.454 0.000 1.385 215 I CB -0.014 38.227 38.000 0.402 0.000 1.064 215 I HN 0.424 nan 8.210 nan 0.000 0.414 216 W N 2.394 123.865 121.300 0.284 0.000 3.036 216 W HA 0.365 5.025 4.660 0.000 0.000 0.337 216 W C -1.387 175.315 176.519 0.305 0.000 1.055 216 W CA -0.501 57.043 57.345 0.332 0.000 1.248 216 W CB 1.380 31.132 29.460 0.486 0.000 1.335 216 W HN 0.011 nan 8.180 nan 0.000 0.446 217 Q N 4.138 123.913 119.800 -0.042 0.000 2.303 217 Q HA 0.682 5.022 4.340 0.000 0.000 0.267 217 Q C -0.644 175.114 176.000 -0.403 0.000 1.011 217 Q CA -0.241 55.546 55.803 -0.027 0.000 0.740 217 Q CB 2.373 31.232 28.738 0.200 0.000 1.250 217 Q HN 0.467 nan 8.270 nan 0.000 0.458 218 A N 2.730 125.281 122.820 -0.449 0.000 2.540 218 A HA 0.767 5.087 4.320 0.000 0.000 0.291 218 A C -1.653 175.783 177.584 -0.246 0.000 1.083 218 A CA -0.739 50.990 52.037 -0.513 0.000 0.650 218 A CB 1.440 19.811 19.000 -1.049 0.000 1.292 218 A HN 0.796 nan 8.150 nan 0.000 0.435 219 N N -1.760 116.837 118.700 -0.173 0.000 3.418 219 N HA 0.431 5.171 4.740 0.000 0.000 0.316 219 N C 0.500 175.990 175.510 -0.032 0.000 1.601 219 N CA 0.113 53.092 53.050 -0.119 0.000 0.805 219 N CB 0.371 38.723 38.487 -0.225 0.000 1.873 219 N HN 0.808 nan 8.380 nan 0.000 0.615 220 S N -1.239 114.390 115.700 -0.118 0.000 2.555 220 S HA 0.054 4.524 4.470 0.000 0.000 0.230 220 S C 1.081 175.507 174.600 -0.290 0.000 0.978 220 S CA 0.309 58.386 58.200 -0.206 0.000 0.934 220 S CB -0.506 62.568 63.200 -0.210 0.000 0.766 220 S HN 0.484 nan 8.310 nan 0.000 0.533 221 I N 0.592 121.052 120.570 -0.183 0.000 2.685 221 I HA 0.269 4.439 4.170 0.000 0.000 0.251 221 I C 0.756 176.844 176.117 -0.047 0.000 1.102 221 I CA 0.420 61.601 61.300 -0.198 0.000 1.442 221 I CB -1.141 36.719 38.000 -0.233 0.000 1.194 221 I HN 0.226 nan 8.210 nan 0.000 0.448 222 S N 0.119 115.799 115.700 -0.032 0.000 2.627 222 S HA 0.581 5.051 4.470 0.000 0.000 0.283 222 S C -0.914 173.518 174.600 -0.281 0.000 1.127 222 S CA -0.642 57.501 58.200 -0.095 0.000 0.863 222 S CB 2.891 65.943 63.200 -0.246 0.000 1.121 222 S HN 0.333 nan 8.310 nan 0.000 0.479 223 E N -0.188 119.727 120.200 -0.476 0.000 2.366 223 E HA 0.827 5.178 4.350 0.000 0.000 0.278 223 E C -1.222 175.196 176.600 -0.303 0.000 0.923 223 E CA -1.116 54.885 56.400 -0.666 0.000 0.761 223 E CB 1.587 30.540 29.700 -1.246 0.000 1.231 223 E HN 0.673 nan 8.360 nan 0.000 0.443 224 A N 1.885 124.589 122.820 -0.195 0.000 2.475 224 A HA 0.738 5.058 4.320 0.000 0.000 0.301 224 A C -1.833 175.830 177.584 0.132 0.000 1.059 224 A CA -0.905 51.163 52.037 0.052 0.000 0.710 224 A CB 1.540 20.620 19.000 0.133 0.000 1.288 224 A HN 0.661 nan 8.150 nan 0.000 0.408 225 L N 1.296 122.639 121.223 0.200 0.000 2.325 225 L HA 0.841 5.181 4.340 0.000 0.000 0.281 225 L C -0.854 176.109 176.870 0.155 0.000 1.004 225 L CA 0.367 55.328 54.840 0.201 0.000 0.823 225 L CB 1.845 43.993 42.059 0.149 0.000 1.236 225 L HN 0.626 nan 8.230 nan 0.000 0.415 226 T N 6.260 120.895 114.554 0.135 0.000 3.143 226 T HA 0.483 4.833 4.350 0.000 0.000 0.312 226 T C -2.987 171.673 174.700 -0.066 0.000 0.986 226 T CA -0.736 61.365 62.100 0.002 0.000 1.024 226 T CB 1.852 70.704 68.868 -0.028 0.000 1.030 226 T HN 0.428 nan 8.240 nan 0.000 0.448 227 P HA 0.388 nan 4.420 nan 0.000 0.288 227 P C -1.145 175.891 177.300 -0.440 0.000 1.267 227 P CA -0.571 62.204 63.100 -0.541 0.000 0.815 227 P CB 0.954 32.133 31.700 -0.869 0.000 0.989 228 H N 3.264 122.187 119.070 -0.246 0.000 2.800 228 H HA 0.315 4.871 4.556 0.000 0.000 0.322 228 H C -2.231 173.204 175.328 0.179 0.000 0.979 228 H CA -1.725 54.356 56.048 0.055 0.000 1.277 228 H CB 2.259 32.075 29.762 0.090 0.000 1.484 228 H HN 0.347 nan 8.280 nan 0.000 0.512 229 P HA 0.267 nan 4.420 nan 0.000 0.279 229 P C -0.404 176.989 177.300 0.156 0.000 1.252 229 P CA -0.392 62.860 63.100 0.253 0.000 0.811 229 P CB 1.521 33.241 31.700 0.033 0.000 1.035 230 c N 0.180 118.851 118.600 0.118 0.000 2.888 230 c HA 0.318 4.888 4.570 0.000 0.000 0.308 230 c C 2.056 176.169 174.090 0.037 0.000 1.213 230 c CA -0.016 56.354 56.329 0.068 0.000 1.461 230 c CB 1.319 43.865 42.510 0.060 0.000 1.934 230 c HN 0.723 nan 8.230 nan 0.000 0.474 231 T N -1.335 113.232 114.554 0.022 0.000 2.881 231 T HA -0.062 4.288 4.350 0.000 0.000 0.270 231 T C 0.645 175.348 174.700 0.006 0.000 1.068 231 T CA 1.449 63.554 62.100 0.009 0.000 1.131 231 T CB -0.321 68.551 68.868 0.007 0.000 0.871 231 T HN 0.681 nan 8.240 nan 0.000 0.479 232 T N 1.627 116.185 114.554 0.008 0.000 2.770 232 T HA 0.506 4.856 4.350 0.000 0.000 0.283 232 T C 1.226 175.927 174.700 0.002 0.000 0.988 232 T CA -0.640 61.461 62.100 0.001 0.000 0.957 232 T CB 1.912 70.779 68.868 0.000 0.000 0.930 232 T HN -0.044 nan 8.240 nan 0.000 0.443 233 V N 3.092 123.002 119.914 -0.007 0.000 2.261 233 V HA 0.011 4.131 4.120 0.000 0.000 0.246 233 V C 1.870 177.953 176.094 -0.017 0.000 1.047 233 V CA 1.982 64.274 62.300 -0.015 0.000 1.015 233 V CB -0.854 30.946 31.823 -0.037 0.000 0.642 233 V HN 0.931 nan 8.190 nan 0.000 0.446 234 G N -1.428 107.360 108.800 -0.020 0.000 2.543 234 G HA2 0.296 4.256 3.960 0.000 0.000 0.290 234 G HA3 0.296 4.256 3.960 0.000 0.000 0.290 234 G C -0.376 174.515 174.900 -0.015 0.000 1.310 234 G CA -0.310 44.777 45.100 -0.021 0.000 1.025 234 G HN 0.181 nan 8.290 nan 0.000 0.502 235 Q N 0.226 120.019 119.800 -0.012 0.000 2.263 235 Q HA 0.065 4.405 4.340 0.000 0.000 0.289 235 Q C -0.491 175.523 176.000 0.024 0.000 1.061 235 Q CA 0.836 56.637 55.803 -0.003 0.000 0.927 235 Q CB 0.448 29.197 28.738 0.018 0.000 1.154 235 Q HN 0.637 nan 8.270 nan 0.000 0.378 236 E N 4.427 124.628 120.200 0.002 0.000 2.321 236 E HA 0.300 4.650 4.350 0.000 0.000 0.281 236 E C -1.123 175.460 176.600 -0.030 0.000 0.910 236 E CA -0.570 55.832 56.400 0.004 0.000 0.770 236 E CB 1.444 31.144 29.700 -0.001 0.000 1.225 236 E HN 0.736 nan 8.360 nan 0.000 0.417 237 I N 3.558 124.095 120.570 -0.056 0.000 2.779 237 I HA 0.216 4.386 4.170 0.000 0.000 0.285 237 I C -0.161 175.903 176.117 -0.088 0.000 1.134 237 I CA -0.126 61.109 61.300 -0.108 0.000 1.398 237 I CB 0.264 38.137 38.000 -0.212 0.000 1.404 237 I HN 0.753 nan 8.210 nan 0.000 0.587 238 c N 4.807 123.363 118.600 -0.073 0.000 2.994 238 c HA 0.652 5.222 4.570 0.000 0.000 0.304 238 c C -0.941 173.155 174.090 0.010 0.000 1.273 238 c CA -0.894 55.416 56.329 -0.031 0.000 1.537 238 c CB 1.635 44.142 42.510 -0.005 0.000 2.001 238 c HN 0.665 nan 8.230 nan 0.000 0.471 239 E N 1.234 121.457 120.200 0.038 0.000 2.151 239 E HA 0.510 4.860 4.350 0.000 0.000 0.275 239 E C 1.037 177.687 176.600 0.083 0.000 0.936 239 E CA 0.813 57.280 56.400 0.111 0.000 0.777 239 E CB 1.424 31.170 29.700 0.078 0.000 1.108 239 E HN 1.428 nan 8.360 nan 0.000 0.401 240 G N 4.829 113.684 108.800 0.092 0.000 2.660 240 G HA2 -0.388 3.572 3.960 0.000 0.000 0.338 240 G HA3 -0.388 3.572 3.960 0.000 0.000 0.338 240 G C 0.602 175.523 174.900 0.035 0.000 1.336 240 G CA 0.652 45.780 45.100 0.047 0.000 0.990 240 G HN 0.620 nan 8.290 nan 0.000 0.537 241 D N 1.486 121.901 120.400 0.025 0.000 2.378 241 D HA 0.039 4.679 4.640 0.000 0.000 0.222 241 D C 2.319 178.630 176.300 0.017 0.000 0.980 241 D CA 1.226 55.237 54.000 0.019 0.000 0.907 241 D CB -0.676 40.133 40.800 0.016 0.000 0.899 241 D HN 0.573 nan 8.370 nan 0.000 0.527 242 G N -0.064 108.750 108.800 0.023 0.000 2.744 242 G HA2 -0.159 3.801 3.960 0.000 0.000 0.211 242 G HA3 -0.159 3.801 3.960 0.000 0.000 0.211 242 G C 1.714 176.625 174.900 0.018 0.000 1.143 242 G CA 0.081 45.194 45.100 0.021 0.000 0.788 242 G HN 0.296 nan 8.290 nan 0.000 0.534 243 c N -0.286 118.325 118.600 0.018 0.000 2.450 243 c HA 0.408 4.978 4.570 0.000 0.000 0.279 243 c C 2.142 176.233 174.090 0.001 0.000 1.335 243 c CA 0.403 56.740 56.329 0.013 0.000 1.749 243 c CB -1.118 41.405 42.510 0.021 0.000 1.963 243 c HN 0.845 nan 8.230 nan 0.000 0.501 244 G N -0.282 108.513 108.800 -0.008 0.000 2.601 244 G HA2 0.319 4.279 3.960 0.000 0.000 0.252 244 G HA3 0.319 4.279 3.960 0.000 0.000 0.252 244 G C 0.306 175.164 174.900 -0.069 0.000 1.294 244 G CA -0.254 44.820 45.100 -0.043 0.000 0.912 244 G HN 1.953 nan 8.290 nan 0.000 0.574 245 G N -3.543 105.177 108.800 -0.132 0.000 2.796 245 G HA2 0.152 4.112 3.960 0.000 0.000 0.226 245 G HA3 0.152 4.112 3.960 0.000 0.000 0.226 245 G C 1.014 175.780 174.900 -0.224 0.000 1.381 245 G CA 0.869 45.874 45.100 -0.159 0.000 0.867 245 G HN 2.053 nan 8.290 nan 0.000 0.552 246 T N -0.012 114.346 114.554 -0.327 0.000 2.737 246 T HA -0.160 4.190 4.350 0.000 0.000 0.269 246 T C 1.896 176.171 174.700 -0.710 0.000 1.040 246 T CA 2.744 64.503 62.100 -0.567 0.000 1.142 246 T CB -0.260 68.104 68.868 -0.840 0.000 0.861 246 T HN 0.463 nan 8.240 nan 0.000 0.456 247 Y N 1.301 121.408 120.300 -0.322 0.000 2.529 247 Y HA 0.312 4.862 4.550 0.000 0.000 0.290 247 Y C 1.250 177.079 175.900 -0.118 0.000 1.177 247 Y CA -0.359 57.589 58.100 -0.254 0.000 1.305 247 Y CB 0.067 38.396 38.460 -0.217 0.000 1.047 247 Y HN 0.047 nan 8.280 nan 0.000 0.522 248 S N -0.146 115.544 115.700 -0.017 0.000 2.648 248 S HA 0.059 4.529 4.470 0.000 0.000 0.305 248 S C 0.789 175.378 174.600 -0.018 0.000 1.094 248 S CA -0.579 57.620 58.200 -0.003 0.000 0.983 248 S CB 1.214 64.408 63.200 -0.010 0.000 1.101 248 S HN 0.460 nan 8.310 nan 0.000 0.514 249 D N 0.711 121.111 120.400 -0.001 0.000 2.183 249 D HA -0.115 4.525 4.640 0.000 0.000 0.203 249 D C 0.237 176.529 176.300 -0.013 0.000 0.969 249 D CA 0.926 54.927 54.000 0.002 0.000 0.842 249 D CB -0.179 40.629 40.800 0.013 0.000 0.957 249 D HN 0.325 nan 8.370 nan 0.000 0.484 250 N N 0.518 119.206 118.700 -0.020 0.000 2.469 250 N HA 0.102 4.842 4.740 0.000 0.000 0.253 250 N C 0.615 176.071 175.510 -0.090 0.000 0.970 250 N CA -0.483 52.553 53.050 -0.025 0.000 0.940 250 N CB 1.227 39.720 38.487 0.011 0.000 1.128 250 N HN 0.028 nan 8.380 nan 0.000 0.503 251 R N 2.921 123.298 120.500 -0.205 0.000 2.090 251 R HA -0.047 4.293 4.340 0.000 0.000 0.228 251 R C 0.082 176.085 176.300 -0.495 0.000 1.110 251 R CA 1.457 57.299 56.100 -0.429 0.000 0.973 251 R CB 0.085 29.972 30.300 -0.689 0.000 0.869 251 R HN 0.580 nan 8.270 nan 0.000 0.440 252 Y N -1.334 118.975 120.300 0.015 0.000 2.658 252 Y HA 0.353 4.903 4.550 0.000 0.000 0.276 252 Y C 1.165 177.076 175.900 0.018 0.000 1.167 252 Y CA -0.173 57.939 58.100 0.020 0.000 1.230 252 Y CB 0.986 39.460 38.460 0.024 0.000 1.144 252 Y HN 0.088 nan 8.280 nan 0.000 0.529 253 G N -0.222 108.632 108.800 0.091 0.000 3.702 253 G HA2 0.447 4.408 3.960 0.000 0.000 0.288 253 G HA3 0.447 4.408 3.960 0.000 0.000 0.288 253 G C 0.476 175.405 174.900 0.048 0.000 1.193 253 G CA 0.211 45.353 45.100 0.071 0.000 0.952 253 G HN 0.437 nan 8.290 nan 0.000 0.544 254 G N -0.880 107.951 108.800 0.052 0.000 3.140 254 G HA2 0.447 4.407 3.960 0.000 0.000 0.271 254 G HA3 0.447 4.407 3.960 0.000 0.000 0.271 254 G C 0.934 175.859 174.900 0.041 0.000 1.370 254 G CA 0.458 45.579 45.100 0.036 0.000 1.014 254 G HN 0.210 nan 8.290 nan 0.000 0.541 255 T N -3.438 111.134 114.554 0.029 0.000 3.081 255 T HA 0.151 4.501 4.350 0.000 0.000 0.255 255 T C 0.691 175.413 174.700 0.037 0.000 1.113 255 T CA 0.137 62.254 62.100 0.028 0.000 1.082 255 T CB -0.486 68.392 68.868 0.016 0.000 0.939 255 T HN 0.332 nan 8.240 nan 0.000 0.506 256 c N 1.814 120.441 118.600 0.045 0.000 2.486 256 c HA 0.680 5.250 4.570 0.000 0.000 0.348 256 c C -0.116 174.035 174.090 0.102 0.000 1.203 256 c CA -0.979 55.389 56.329 0.064 0.000 1.911 256 c CB 1.439 43.974 42.510 0.041 0.000 2.340 256 c HN 0.562 nan 8.230 nan 0.000 0.511 257 D N 1.622 122.113 120.400 0.152 0.000 2.428 257 D HA 0.286 4.926 4.640 0.000 0.000 0.221 257 D C -1.325 175.153 176.300 0.297 0.000 1.123 257 D CA -1.848 52.287 54.000 0.224 0.000 0.869 257 D CB 1.014 41.954 40.800 0.233 0.000 1.032 257 D HN 0.240 nan 8.370 nan 0.000 0.506 258 P HA -0.011 nan 4.420 nan 0.000 0.233 258 P C 0.054 177.486 177.300 0.219 0.000 1.167 258 P CA 0.551 63.715 63.100 0.108 0.000 0.770 258 P CB 0.789 32.454 31.700 -0.057 0.000 0.837 259 D N -0.392 120.183 120.400 0.291 0.000 2.414 259 D HA 0.209 4.849 4.640 0.000 0.000 0.237 259 D C 1.320 177.625 176.300 0.008 0.000 0.975 259 D CA 1.436 55.554 54.000 0.198 0.000 0.917 259 D CB -0.515 40.422 40.800 0.228 0.000 1.061 259 D HN 0.150 nan 8.370 nan 0.000 0.480 260 G N -0.133 108.634 108.800 -0.054 0.000 2.795 260 G HA2 -0.239 3.721 3.960 0.000 0.000 0.664 260 G HA3 -0.239 3.721 3.960 0.000 0.000 0.664 260 G C -0.139 174.541 174.900 -0.368 0.000 1.381 260 G CA -0.405 44.480 45.100 -0.357 0.000 0.853 260 G HN 0.495 nan 8.290 nan 0.000 0.545 261 c N 2.632 120.814 118.600 -0.697 0.000 2.116 261 c HA 0.557 5.127 4.570 0.000 0.000 0.367 261 c C 0.635 174.568 174.090 -0.262 0.000 1.039 261 c CA -0.451 55.411 56.329 -0.778 0.000 1.465 261 c CB -2.089 39.550 42.510 -1.452 0.000 1.783 261 c HN 0.809 nan 8.230 nan 0.000 0.470 262 D N 3.091 123.435 120.400 -0.092 0.000 2.304 262 D HA 0.103 4.743 4.640 0.000 0.000 0.247 262 D C -0.541 175.897 176.300 0.230 0.000 1.089 262 D CA -0.239 53.806 54.000 0.076 0.000 0.910 262 D CB 1.001 41.864 40.800 0.104 0.000 1.199 262 D HN 0.698 nan 8.370 nan 0.000 0.426 263 W N 3.150 124.475 121.300 0.042 0.000 2.521 263 W HA 0.250 4.910 4.660 0.000 0.000 0.310 263 W C -1.526 175.021 176.519 0.046 0.000 1.000 263 W CA -0.839 56.507 57.345 0.001 0.000 1.353 263 W CB 0.764 30.107 29.460 -0.195 0.000 1.276 263 W HN 0.381 nan 8.180 nan 0.000 0.417 264 N N 7.331 126.173 118.700 0.236 0.000 2.479 264 N HA 0.328 5.068 4.740 0.000 0.000 0.261 264 N C -1.931 173.709 175.510 0.217 0.000 0.979 264 N CA -2.048 51.138 53.050 0.226 0.000 0.930 264 N CB 2.456 41.036 38.487 0.155 0.000 1.172 264 N HN 0.006 nan 8.380 nan 0.000 0.499 265 P HA -0.155 nan 4.420 nan 0.000 0.216 265 P C 0.915 178.350 177.300 0.226 0.000 1.153 265 P CA 1.185 64.450 63.100 0.274 0.000 0.858 265 P CB 0.049 31.937 31.700 0.313 0.000 0.789 266 Y N 0.448 120.834 120.300 0.143 0.000 2.145 266 Y HA -0.161 4.389 4.550 0.000 0.000 0.286 266 Y C 2.676 178.622 175.900 0.077 0.000 1.145 266 Y CA 1.557 59.728 58.100 0.118 0.000 1.148 266 Y CB -0.538 37.982 38.460 0.099 0.000 0.981 266 Y HN -0.267 nan 8.280 nan 0.000 0.507 267 R N 0.009 120.700 120.500 0.319 0.000 2.152 267 R HA -0.125 4.215 4.340 0.000 0.000 0.232 267 R C 1.705 178.109 176.300 0.174 0.000 1.117 267 R CA 1.473 57.694 56.100 0.203 0.000 0.981 267 R CB -0.374 30.019 30.300 0.154 0.000 0.870 267 R HN 0.429 nan 8.270 nan 0.000 0.451 268 L N -0.982 120.320 121.223 0.131 0.000 2.599 268 L HA 0.179 4.519 4.340 0.000 0.000 0.230 268 L C 1.248 178.152 176.870 0.057 0.000 1.141 268 L CA 0.638 55.527 54.840 0.081 0.000 0.877 268 L CB 0.512 42.506 42.059 -0.109 0.000 1.009 268 L HN 0.613 nan 8.230 nan 0.000 0.447 269 G N -0.398 108.418 108.800 0.026 0.000 2.255 269 G HA2 -0.245 3.715 3.960 0.000 0.000 0.196 269 G HA3 -0.245 3.715 3.960 0.000 0.000 0.196 269 G C 0.203 175.063 174.900 -0.067 0.000 0.998 269 G CA -0.374 44.711 45.100 -0.025 0.000 0.656 269 G HN 0.258 nan 8.290 nan 0.000 0.490 270 N N 1.915 120.595 118.700 -0.032 0.000 2.645 270 N HA 0.356 5.096 4.740 0.000 0.000 0.233 270 N C 1.523 177.003 175.510 -0.050 0.000 1.058 270 N CA 0.678 53.726 53.050 -0.003 0.000 0.942 270 N CB 0.844 39.373 38.487 0.070 0.000 1.210 270 N HN 0.380 nan 8.380 nan 0.000 0.512 271 T N -1.319 113.106 114.554 -0.215 0.000 3.129 271 T HA 0.099 4.449 4.350 0.000 0.000 0.251 271 T C 0.923 175.665 174.700 0.071 0.000 1.117 271 T CA 0.183 62.060 62.100 -0.371 0.000 1.034 271 T CB 0.057 68.578 68.868 -0.578 0.000 0.968 271 T HN 0.173 nan 8.240 nan 0.000 0.526 272 S N -0.287 115.480 115.700 0.111 0.000 2.559 272 S HA 0.336 4.806 4.470 0.000 0.000 0.226 272 S C 0.679 175.458 174.600 0.299 0.000 1.000 272 S CA -0.706 57.553 58.200 0.098 0.000 0.948 272 S CB -0.215 62.960 63.200 -0.042 0.000 0.870 272 S HN 0.506 nan 8.310 nan 0.000 0.497 273 F N 1.642 121.716 119.950 0.206 0.000 2.149 273 F HA 0.259 4.786 4.527 0.000 0.000 0.294 273 F C 0.352 176.269 175.800 0.196 0.000 1.095 273 F CA 0.487 58.572 58.000 0.142 0.000 1.276 273 F CB 0.111 39.167 39.000 0.093 0.000 1.023 273 F HN 0.212 nan 8.300 nan 0.000 0.480 274 Y N 0.712 120.988 120.300 -0.040 0.000 2.338 274 Y HA 0.575 5.125 4.550 0.000 0.000 0.333 274 Y C -0.244 175.322 175.900 -0.557 0.000 0.968 274 Y CA -0.272 57.621 58.100 -0.345 0.000 1.123 274 Y CB 1.102 39.443 38.460 -0.198 0.000 1.165 274 Y HN 0.231 nan 8.280 nan 0.000 0.452 275 G N 5.000 113.014 108.800 -1.310 0.000 2.349 275 G HA2 0.340 4.300 3.960 0.000 0.000 0.294 275 G HA3 0.340 4.300 3.960 0.000 0.000 0.294 275 G C -3.569 170.548 174.900 -1.304 0.000 1.380 275 G CA -1.361 42.574 45.100 -1.942 0.000 0.811 275 G HN 0.275 nan 8.290 nan 0.000 0.519 276 P HA 0.532 nan 4.420 nan 0.000 0.282 276 P C 0.466 177.765 177.300 -0.002 0.000 1.274 276 P CA 1.026 63.941 63.100 -0.308 0.000 0.770 276 P CB 1.142 32.714 31.700 -0.213 0.000 0.867 277 G N 2.482 111.293 108.800 0.019 0.000 2.555 277 G HA2 -0.072 3.888 3.960 0.000 0.000 0.686 277 G HA3 -0.072 3.888 3.960 0.000 0.000 0.686 277 G C 0.703 175.680 174.900 0.129 0.000 1.275 277 G CA -0.060 45.098 45.100 0.096 0.000 0.871 277 G HN 0.444 nan 8.290 nan 0.000 0.603 278 S N -1.152 114.582 115.700 0.057 0.000 2.555 278 S HA 0.057 4.527 4.470 0.000 0.000 0.230 278 S C 2.245 176.842 174.600 -0.005 0.000 0.978 278 S CA 1.674 59.889 58.200 0.025 0.000 0.934 278 S CB -0.125 63.080 63.200 0.007 0.000 0.766 278 S HN 2.163 nan 8.310 nan 0.000 0.533 279 S N -0.093 115.581 115.700 -0.044 0.000 2.603 279 S HA 0.305 4.775 4.470 0.000 0.000 0.220 279 S C 0.009 174.393 174.600 -0.360 0.000 0.967 279 S CA -0.650 57.422 58.200 -0.213 0.000 0.920 279 S CB -0.624 62.389 63.200 -0.312 0.000 0.773 279 S HN 0.419 nan 8.310 nan 0.000 0.529 280 F N 1.195 121.086 119.950 -0.099 0.000 2.470 280 F HA 0.454 4.981 4.527 0.000 0.000 0.329 280 F C 1.825 177.496 175.800 -0.214 0.000 1.072 280 F CA -0.900 57.015 58.000 -0.143 0.000 0.989 280 F CB 1.141 40.028 39.000 -0.187 0.000 1.193 280 F HN -0.135 nan 8.300 nan 0.000 0.481 281 T N 1.344 115.842 114.554 -0.093 0.000 2.684 281 T HA -0.078 4.272 4.350 0.000 0.000 0.267 281 T C 0.702 175.064 174.700 -0.563 0.000 1.036 281 T CA 1.158 63.050 62.100 -0.346 0.000 1.148 281 T CB -0.172 68.469 68.868 -0.377 0.000 0.863 281 T HN 0.220 nan 8.240 nan 0.000 0.436 282 L N 2.294 123.133 121.223 -0.640 0.000 2.276 282 L HA 0.361 4.701 4.340 0.000 0.000 0.286 282 L C -0.504 176.138 176.870 -0.381 0.000 1.024 282 L CA -0.826 53.686 54.840 -0.546 0.000 0.826 282 L CB 1.211 42.848 42.059 -0.704 0.000 1.211 282 L HN 0.045 nan 8.230 nan 0.000 0.422 283 D N 2.144 122.403 120.400 -0.235 0.000 2.352 283 D HA 0.017 4.657 4.640 0.000 0.000 0.245 283 D C 1.313 177.457 176.300 -0.260 0.000 1.224 283 D CA -0.167 53.716 54.000 -0.195 0.000 0.879 283 D CB 1.406 42.156 40.800 -0.084 0.000 1.057 283 D HN 0.605 nan 8.370 nan 0.000 0.491 284 T N -0.427 113.880 114.554 -0.411 0.000 3.163 284 T HA -0.120 4.230 4.350 0.000 0.000 0.260 284 T C 1.521 176.092 174.700 -0.215 0.000 1.156 284 T CA 0.993 62.861 62.100 -0.388 0.000 1.072 284 T CB -0.397 68.101 68.868 -0.618 0.000 0.937 284 T HN 0.384 nan 8.240 nan 0.000 0.528 285 T N -1.655 112.800 114.554 -0.164 0.000 3.100 285 T HA 0.272 4.622 4.350 0.000 0.000 0.253 285 T C 0.502 175.161 174.700 -0.068 0.000 1.118 285 T CA -0.188 61.851 62.100 -0.102 0.000 1.058 285 T CB -0.126 68.696 68.868 -0.076 0.000 0.953 285 T HN 0.392 nan 8.240 nan 0.000 0.515 286 K N 0.817 121.175 120.400 -0.070 0.000 2.267 286 K HA 0.499 4.819 4.320 0.000 0.000 0.246 286 K C -0.564 176.018 176.600 -0.030 0.000 0.954 286 K CA -0.973 55.291 56.287 -0.039 0.000 0.824 286 K CB 2.167 34.651 32.500 -0.027 0.000 1.167 286 K HN 0.018 nan 8.250 nan 0.000 0.431 287 K N 2.521 122.915 120.400 -0.011 0.000 2.355 287 K HA 0.227 4.548 4.320 0.000 0.000 0.270 287 K C -0.648 175.953 176.600 0.003 0.000 1.003 287 K CA -0.182 56.104 56.287 -0.002 0.000 0.957 287 K CB 0.319 32.821 32.500 0.003 0.000 0.939 287 K HN 0.561 nan 8.250 nan 0.000 0.482 288 L N -0.776 120.444 121.223 -0.004 0.000 2.409 288 L HA 0.605 4.945 4.340 0.000 0.000 0.255 288 L C -1.004 175.817 176.870 -0.081 0.000 1.027 288 L CA -1.000 53.842 54.840 0.003 0.000 0.834 288 L CB 2.239 44.329 42.059 0.052 0.000 1.426 288 L HN 0.396 nan 8.230 nan 0.000 0.411 289 T N 1.066 115.580 114.554 -0.067 0.000 2.794 289 T HA 0.652 5.002 4.350 0.000 0.000 0.280 289 T C -0.519 174.010 174.700 -0.285 0.000 0.987 289 T CA -0.427 61.553 62.100 -0.200 0.000 0.993 289 T CB 1.772 70.582 68.868 -0.097 0.000 0.939 289 T HN 0.444 nan 8.240 nan 0.000 0.449 290 V N 3.923 123.443 119.914 -0.655 0.000 2.409 290 V HA 0.513 4.633 4.120 0.000 0.000 0.291 290 V C -0.345 175.379 176.094 -0.617 0.000 1.020 290 V CA -0.766 61.108 62.300 -0.710 0.000 0.848 290 V CB 1.647 32.826 31.823 -1.073 0.000 0.990 290 V HN 0.706 nan 8.190 nan 0.000 0.430 291 V N 3.760 123.290 119.914 -0.641 0.000 2.448 291 V HA 0.609 4.729 4.120 0.000 0.000 0.295 291 V C 0.039 175.866 176.094 -0.445 0.000 1.025 291 V CA -0.290 61.662 62.300 -0.581 0.000 0.859 291 V CB 2.134 33.308 31.823 -1.082 0.000 0.988 291 V HN 0.927 nan 8.190 nan 0.000 0.431 292 T N 4.958 119.422 114.554 -0.149 0.000 2.812 292 T HA 0.525 4.875 4.350 0.000 0.000 0.282 292 T C -0.663 173.944 174.700 -0.156 0.000 0.990 292 T CA -0.597 61.403 62.100 -0.166 0.000 0.960 292 T CB 1.418 70.270 68.868 -0.026 0.000 0.948 292 T HN 0.684 nan 8.240 nan 0.000 0.438 293 Q N 1.935 121.567 119.800 -0.280 0.000 2.322 293 Q HA 0.487 4.827 4.340 0.000 0.000 0.265 293 Q C -1.197 174.610 176.000 -0.321 0.000 0.985 293 Q CA -0.641 55.070 55.803 -0.152 0.000 0.849 293 Q CB 1.703 30.419 28.738 -0.037 0.000 1.274 293 Q HN 0.582 nan 8.270 nan 0.000 0.449 294 F N 2.317 122.304 119.950 0.063 0.000 2.291 294 F HA 0.162 4.689 4.527 0.000 0.000 0.368 294 F C 0.660 176.493 175.800 0.055 0.000 1.085 294 F CA -0.902 57.139 58.000 0.070 0.000 1.165 294 F CB 0.523 39.566 39.000 0.072 0.000 1.429 294 F HN 0.450 nan 8.300 nan 0.000 0.503 295 E N -0.834 119.453 120.200 0.144 0.000 2.390 295 E HA 0.104 4.454 4.350 0.000 0.000 0.261 295 E C 0.992 177.666 176.600 0.124 0.000 1.076 295 E CA 0.116 56.584 56.400 0.112 0.000 0.905 295 E CB 0.834 30.575 29.700 0.070 0.000 0.984 295 E HN 0.570 nan 8.360 nan 0.000 0.427 296 T N -0.914 113.696 114.554 0.092 0.000 2.946 296 T HA -0.219 4.131 4.350 0.000 0.000 0.271 296 T C 1.790 176.537 174.700 0.079 0.000 1.104 296 T CA 1.258 63.405 62.100 0.079 0.000 1.114 296 T CB -0.532 68.370 68.868 0.056 0.000 0.867 296 T HN 0.527 nan 8.240 nan 0.000 0.513 297 S N 0.726 116.476 115.700 0.083 0.000 2.481 297 S HA 0.333 4.803 4.470 0.000 0.000 0.231 297 S C 2.039 176.703 174.600 0.107 0.000 0.996 297 S CA 0.665 58.916 58.200 0.084 0.000 0.942 297 S CB -0.722 62.526 63.200 0.080 0.000 0.768 297 S HN 1.289 nan 8.310 nan 0.000 0.520 298 G N 0.369 109.250 108.800 0.135 0.000 2.201 298 G HA2 0.018 3.978 3.960 0.000 0.000 0.212 298 G HA3 0.018 3.978 3.960 0.000 0.000 0.212 298 G C 0.208 175.233 174.900 0.209 0.000 0.994 298 G CA -0.100 45.109 45.100 0.182 0.000 0.644 298 G HN 1.159 nan 8.290 nan 0.000 0.508 299 A N -0.130 122.782 122.820 0.153 0.000 2.287 299 A HA 0.825 5.145 4.320 0.000 0.000 0.273 299 A C 0.105 177.727 177.584 0.065 0.000 1.091 299 A CA -0.012 52.097 52.037 0.119 0.000 0.817 299 A CB 0.491 19.547 19.000 0.093 0.000 1.069 299 A HN 0.818 nan 8.150 nan 0.000 0.492 300 I N 1.544 122.104 120.570 -0.017 0.000 2.498 300 I HA 0.294 4.465 4.170 0.000 0.000 0.290 300 I C -0.590 175.393 176.117 -0.223 0.000 1.032 300 I CA -0.620 60.575 61.300 -0.175 0.000 1.073 300 I CB 1.931 39.801 38.000 -0.218 0.000 1.251 300 I HN 0.582 nan 8.210 nan 0.000 0.426 301 N N 4.602 123.157 118.700 -0.242 0.000 2.404 301 N HA 0.663 5.404 4.740 0.000 0.000 0.297 301 N C -0.948 174.411 175.510 -0.253 0.000 1.163 301 N CA -0.788 52.135 53.050 -0.212 0.000 0.864 301 N CB 2.519 40.945 38.487 -0.100 0.000 1.247 301 N HN 0.469 nan 8.380 nan 0.000 0.510 302 R N 0.809 121.165 120.500 -0.240 0.000 2.566 302 R HA 0.409 4.749 4.340 0.000 0.000 0.271 302 R C -1.971 174.217 176.300 -0.187 0.000 1.071 302 R CA -0.681 55.238 56.100 -0.302 0.000 0.915 302 R CB 0.482 30.543 30.300 -0.399 0.000 1.228 302 R HN 0.613 nan 8.270 nan 0.000 0.449 303 Y N 0.761 120.852 120.300 -0.348 0.000 2.588 303 Y HA 0.752 5.302 4.550 0.000 0.000 0.343 303 Y C -1.824 173.889 175.900 -0.313 0.000 1.065 303 Y CA -1.300 56.688 58.100 -0.186 0.000 1.038 303 Y CB 1.249 39.688 38.460 -0.035 0.000 1.297 303 Y HN 0.478 nan 8.280 nan 0.000 0.467 304 Y N 0.361 120.883 120.300 0.370 0.000 2.570 304 Y HA 0.785 5.335 4.550 0.000 0.000 0.345 304 Y C -0.977 175.135 175.900 0.354 0.000 1.014 304 Y CA -1.614 56.640 58.100 0.256 0.000 1.063 304 Y CB 2.336 40.994 38.460 0.329 0.000 1.272 304 Y HN 0.571 nan 8.280 nan 0.000 0.477 305 V N 1.673 121.813 119.914 0.378 0.000 2.623 305 V HA 0.506 4.626 4.120 0.000 0.000 0.304 305 V C -1.095 175.135 176.094 0.226 0.000 1.054 305 V CA -0.851 61.618 62.300 0.282 0.000 0.882 305 V CB 1.793 33.726 31.823 0.184 0.000 1.002 305 V HN 0.781 nan 8.190 nan 0.000 0.424 306 Q N 3.441 123.391 119.800 0.250 0.000 2.271 306 Q HA 0.428 4.768 4.340 0.000 0.000 0.268 306 Q C -0.299 175.791 176.000 0.150 0.000 1.021 306 Q CA -0.528 55.384 55.803 0.183 0.000 0.802 306 Q CB 1.369 30.220 28.738 0.188 0.000 1.282 306 Q HN 0.765 nan 8.270 nan 0.000 0.431 307 N N 2.596 121.350 118.700 0.089 0.000 2.735 307 N HA -0.233 4.507 4.740 0.000 0.000 0.248 307 N C 0.435 175.975 175.510 0.050 0.000 1.083 307 N CA 1.603 54.691 53.050 0.064 0.000 0.703 307 N CB -1.306 37.222 38.487 0.069 0.000 1.005 307 N HN 1.115 nan 8.380 nan 0.000 0.550 308 G N -2.628 106.199 108.800 0.044 0.000 2.168 308 G HA2 -0.324 3.636 3.960 0.000 0.000 0.263 308 G HA3 -0.324 3.636 3.960 0.000 0.000 0.263 308 G C 0.010 174.899 174.900 -0.020 0.000 0.977 308 G CA 0.478 45.588 45.100 0.017 0.000 0.659 308 G HN 0.509 nan 8.290 nan 0.000 0.533 309 V N 1.143 121.039 119.914 -0.031 0.000 2.435 309 V HA 0.635 4.755 4.120 0.000 0.000 0.290 309 V C 0.580 176.483 176.094 -0.318 0.000 1.030 309 V CA -0.209 61.971 62.300 -0.200 0.000 0.881 309 V CB 1.764 33.455 31.823 -0.220 0.000 0.983 309 V HN 0.257 nan 8.190 nan 0.000 0.445 310 T N 5.589 119.911 114.554 -0.387 0.000 2.837 310 T HA 0.679 5.029 4.350 0.000 0.000 0.285 310 T C -0.786 173.639 174.700 -0.459 0.000 0.984 310 T CA 0.083 62.038 62.100 -0.241 0.000 1.049 310 T CB 0.428 69.197 68.868 -0.165 0.000 0.947 310 T HN 0.349 nan 8.240 nan 0.000 0.472 311 F N 1.719 121.833 119.950 0.274 0.000 2.536 311 F HA 0.434 4.962 4.527 0.000 0.000 0.322 311 F C 0.275 176.311 175.800 0.393 0.000 1.144 311 F CA -1.217 56.979 58.000 0.325 0.000 0.924 311 F CB 1.894 41.163 39.000 0.449 0.000 1.181 311 F HN 0.352 nan 8.300 nan 0.000 0.438 312 Q N 1.567 121.596 119.800 0.382 0.000 2.382 312 Q HA 0.217 4.557 4.340 0.000 0.000 0.229 312 Q C -0.243 175.920 176.000 0.272 0.000 1.006 312 Q CA -0.417 55.549 55.803 0.271 0.000 0.916 312 Q CB 0.802 29.609 28.738 0.115 0.000 1.235 312 Q HN 0.573 nan 8.270 nan 0.000 0.512 313 Q N 2.741 122.627 119.800 0.142 0.000 2.283 313 Q HA 0.118 4.458 4.340 0.000 0.000 0.301 313 Q C -2.242 173.712 176.000 -0.077 0.000 1.063 313 Q CA -0.746 55.069 55.803 0.019 0.000 0.952 313 Q CB 0.420 28.983 28.738 -0.291 0.000 1.166 313 Q HN 0.372 nan 8.270 nan 0.000 0.381 314 P HA -0.023 nan 4.420 nan 0.000 0.267 314 P C -0.971 176.387 177.300 0.097 0.000 1.200 314 P CA -0.024 62.986 63.100 -0.150 0.000 0.772 314 P CB 0.563 32.038 31.700 -0.374 0.000 0.855 315 N N 0.526 119.285 118.700 0.098 0.000 2.454 315 N HA 0.365 5.105 4.740 0.000 0.000 0.254 315 N C -0.475 175.147 175.510 0.186 0.000 1.228 315 N CA 0.520 53.666 53.050 0.159 0.000 0.900 315 N CB 0.203 38.739 38.487 0.081 0.000 1.089 315 N HN 0.392 nan 8.380 nan 0.000 0.449 316 A N 1.685 124.654 122.820 0.248 0.000 2.435 316 A HA 0.521 4.841 4.320 0.000 0.000 0.304 316 A C -1.016 176.658 177.584 0.150 0.000 1.064 316 A CA -0.695 51.436 52.037 0.157 0.000 0.727 316 A CB 1.136 20.148 19.000 0.019 0.000 1.284 316 A HN 0.660 nan 8.150 nan 0.000 0.415 317 E N 0.790 121.044 120.200 0.089 0.000 2.185 317 E HA 0.498 4.848 4.350 0.000 0.000 0.261 317 E C -1.943 174.698 176.600 0.068 0.000 0.879 317 E CA -0.567 55.874 56.400 0.068 0.000 0.756 317 E CB 2.137 31.851 29.700 0.024 0.000 1.152 317 E HN 0.369 nan 8.360 nan 0.000 0.416 318 L N 3.016 124.301 121.223 0.103 0.000 2.504 318 L HA 0.452 4.792 4.340 0.000 0.000 0.265 318 L C 0.331 177.192 176.870 -0.016 0.000 0.975 318 L CA 0.460 55.290 54.840 -0.017 0.000 0.864 318 L CB 1.217 43.178 42.059 -0.164 0.000 1.212 318 L HN 0.751 nan 8.230 nan 0.000 0.416 319 G N 3.242 112.024 108.800 -0.030 0.000 2.561 319 G HA2 -0.373 3.587 3.960 0.000 0.000 0.289 319 G HA3 -0.373 3.587 3.960 0.000 0.000 0.289 319 G C 0.728 175.635 174.900 0.011 0.000 1.169 319 G CA 0.613 45.699 45.100 -0.023 0.000 0.980 319 G HN 1.290 nan 8.290 nan 0.000 0.550 320 S N -0.638 115.076 115.700 0.024 0.000 2.593 320 S HA 0.356 4.826 4.470 0.000 0.000 0.217 320 S C 0.643 175.283 174.600 0.065 0.000 0.966 320 S CA 1.005 59.225 58.200 0.033 0.000 0.914 320 S CB 0.102 63.319 63.200 0.028 0.000 0.776 320 S HN 1.100 nan 8.310 nan 0.000 0.523 321 Y N 2.082 122.367 120.300 -0.024 0.000 2.310 321 Y HA 0.602 5.152 4.550 0.000 0.000 0.326 321 Y C -0.163 175.754 175.900 0.030 0.000 1.151 321 Y CA -0.471 57.636 58.100 0.012 0.000 1.195 321 Y CB 1.347 39.816 38.460 0.015 0.000 1.210 321 Y HN 0.125 nan 8.280 nan 0.000 0.483 322 S N 3.587 118.738 115.700 -0.916 0.000 2.566 322 S HA 0.795 5.265 4.470 0.000 0.000 0.273 322 S C -0.723 173.385 174.600 -0.820 0.000 1.157 322 S CA 0.239 58.075 58.200 -0.606 0.000 0.938 322 S CB 0.759 63.808 63.200 -0.252 0.000 1.087 322 S HN 1.537 nan 8.310 nan 0.000 0.474 323 G N 3.202 111.764 108.800 -0.397 0.000 2.369 323 G HA2 0.170 4.130 3.960 0.000 0.000 0.293 323 G HA3 0.170 4.130 3.960 0.000 0.000 0.293 323 G C -1.022 174.061 174.900 0.304 0.000 1.301 323 G CA -0.078 44.968 45.100 -0.091 0.000 0.913 323 G HN 0.961 nan 8.290 nan 0.000 0.540 324 N N -0.699 118.138 118.700 0.229 0.000 2.238 324 N HA 0.213 4.953 4.740 0.000 0.000 0.235 324 N C -0.005 175.375 175.510 -0.217 0.000 1.209 324 N CA 0.197 53.314 53.050 0.112 0.000 0.879 324 N CB 1.250 39.743 38.487 0.010 0.000 1.136 324 N HN 0.777 nan 8.380 nan 0.000 0.517 325 E N 0.925 121.144 120.200 0.032 0.000 2.166 325 E HA 0.246 4.596 4.350 0.000 0.000 0.275 325 E C -1.074 175.529 176.600 0.005 0.000 0.941 325 E CA -0.826 55.532 56.400 -0.071 0.000 0.784 325 E CB 1.258 30.989 29.700 0.051 0.000 1.115 325 E HN 0.222 nan 8.360 nan 0.000 0.399 326 L N 5.885 127.000 121.223 -0.180 0.000 2.385 326 L HA 0.202 4.542 4.340 0.000 0.000 0.285 326 L C -0.928 175.997 176.870 0.091 0.000 1.125 326 L CA -0.111 54.711 54.840 -0.031 0.000 0.890 326 L CB -0.535 41.461 42.059 -0.106 0.000 1.251 326 L HN 0.587 nan 8.230 nan 0.000 0.445 327 N N 0.822 119.627 118.700 0.176 0.000 3.091 327 N HA 0.278 5.018 4.740 0.000 0.000 0.329 327 N C 0.175 175.795 175.510 0.184 0.000 1.430 327 N CA -0.815 52.344 53.050 0.183 0.000 0.755 327 N CB 0.398 39.002 38.487 0.194 0.000 1.626 327 N HN 0.149 nan 8.380 nan 0.000 0.614 328 D N -0.498 120.006 120.400 0.174 0.000 2.149 328 D HA -0.141 4.499 4.640 0.000 0.000 0.198 328 D C 0.373 176.736 176.300 0.104 0.000 0.990 328 D CA 1.308 55.402 54.000 0.156 0.000 0.839 328 D CB -0.112 40.769 40.800 0.136 0.000 0.948 328 D HN 0.522 nan 8.370 nan 0.000 0.460 329 D N -0.217 120.262 120.400 0.132 0.000 2.144 329 D HA -0.146 4.494 4.640 0.000 0.000 0.200 329 D C 1.929 178.209 176.300 -0.034 0.000 0.978 329 D CA 0.535 54.616 54.000 0.134 0.000 0.833 329 D CB -0.370 40.609 40.800 0.298 0.000 0.961 329 D HN 0.311 nan 8.370 nan 0.000 0.470 330 Y N 1.396 121.472 120.300 -0.373 0.000 2.114 330 Y HA -0.244 4.307 4.550 0.000 0.000 0.284 330 Y C 2.404 178.028 175.900 -0.460 0.000 1.143 330 Y CA 1.267 58.850 58.100 -0.863 0.000 1.135 330 Y CB -0.587 37.339 38.460 -0.891 0.000 0.980 330 Y HN -0.023 nan 8.280 nan 0.000 0.499 331 c N -0.007 118.365 118.600 -0.379 0.000 2.413 331 c HA -0.177 4.393 4.570 0.000 0.000 0.277 331 c C 2.618 176.509 174.090 -0.331 0.000 1.265 331 c CA 1.766 57.838 56.329 -0.427 0.000 1.752 331 c CB -1.491 40.906 42.510 -0.190 0.000 1.998 331 c HN 0.667 nan 8.230 nan 0.000 0.489 332 T N 1.044 115.483 114.554 -0.191 0.000 2.812 332 T HA -0.038 4.312 4.350 0.000 0.000 0.264 332 T C 2.168 176.741 174.700 -0.210 0.000 1.042 332 T CA 1.480 63.504 62.100 -0.126 0.000 1.140 332 T CB -0.346 68.498 68.868 -0.041 0.000 0.870 332 T HN 0.633 nan 8.240 nan 0.000 0.445 333 A N 1.394 124.040 122.820 -0.291 0.000 1.933 333 A HA -0.115 4.205 4.320 0.000 0.000 0.218 333 A C 2.203 179.501 177.584 -0.477 0.000 1.175 333 A CA 1.767 53.619 52.037 -0.308 0.000 0.628 333 A CB -0.553 18.293 19.000 -0.257 0.000 0.814 333 A HN 0.590 nan 8.150 nan 0.000 0.444 334 E N -0.087 119.673 120.200 -0.734 0.000 2.077 334 E HA -0.217 4.133 4.350 0.000 0.000 0.193 334 E C 1.880 178.185 176.600 -0.492 0.000 0.989 334 E CA 1.321 57.204 56.400 -0.863 0.000 0.800 334 E CB -0.144 28.938 29.700 -1.031 0.000 0.746 334 E HN 0.735 nan 8.360 nan 0.000 0.452 335 E N -0.098 119.909 120.200 -0.323 0.000 2.150 335 E HA -0.171 4.179 4.350 0.000 0.000 0.193 335 E C 1.962 178.489 176.600 -0.122 0.000 0.985 335 E CA 0.748 57.051 56.400 -0.161 0.000 0.814 335 E CB -0.048 29.592 29.700 -0.099 0.000 0.752 335 E HN 0.320 nan 8.360 nan 0.000 0.466 336 A N 1.423 124.151 122.820 -0.153 0.000 1.897 336 A HA -0.164 4.156 4.320 0.000 0.000 0.215 336 A C 1.978 179.513 177.584 -0.083 0.000 1.181 336 A CA 1.088 53.064 52.037 -0.102 0.000 0.620 336 A CB -0.063 18.877 19.000 -0.100 0.000 0.821 336 A HN 0.042 nan 8.150 nan 0.000 0.443 337 E N -0.648 119.465 120.200 -0.146 0.000 2.042 337 E HA -0.000 4.350 4.350 0.000 0.000 0.189 337 E C 1.591 178.300 176.600 0.181 0.000 0.974 337 E CA 0.831 57.195 56.400 -0.060 0.000 0.806 337 E CB -0.433 29.134 29.700 -0.221 0.000 0.769 337 E HN 0.593 nan 8.360 nan 0.000 0.451 338 F N 0.392 120.285 119.950 -0.094 0.000 2.664 338 F HA 0.316 4.843 4.527 0.000 0.000 0.296 338 F C 1.477 177.241 175.800 -0.061 0.000 1.125 338 F CA 0.618 58.576 58.000 -0.069 0.000 1.444 338 F CB -0.567 38.387 39.000 -0.076 0.000 1.114 338 F HN 0.009 nan 8.300 nan 0.000 0.576 339 G N -0.504 108.357 108.800 0.101 0.000 2.712 339 G HA2 0.428 4.388 3.960 0.000 0.000 0.683 339 G HA3 0.428 4.388 3.960 0.000 0.000 0.683 339 G C -0.093 174.802 174.900 -0.008 0.000 1.320 339 G CA -0.339 44.777 45.100 0.026 0.000 0.847 339 G HN 1.188 nan 8.290 nan 0.000 0.553 340 G N -2.025 106.738 108.800 -0.062 0.000 2.662 340 G HA2 0.499 4.459 3.960 0.000 0.000 0.686 340 G HA3 0.499 4.459 3.960 0.000 0.000 0.686 340 G C 0.549 175.386 174.900 -0.105 0.000 1.271 340 G CA 0.824 45.847 45.100 -0.128 0.000 0.816 340 G HN 2.651 nan 8.290 nan 0.000 0.608 341 S N -2.209 113.407 115.700 -0.140 0.000 2.904 341 S HA 0.318 4.788 4.470 0.000 0.000 0.260 341 S C 1.978 176.559 174.600 -0.032 0.000 1.000 341 S CA 1.107 59.267 58.200 -0.066 0.000 1.274 341 S CB -0.007 63.154 63.200 -0.067 0.000 1.196 341 S HN 2.219 nan 8.310 nan 0.000 0.678 342 S N 1.612 117.282 115.700 -0.050 0.000 2.382 342 S HA -0.075 4.395 4.470 0.000 0.000 0.228 342 S C 1.447 176.117 174.600 0.116 0.000 1.027 342 S CA 0.892 59.124 58.200 0.054 0.000 0.991 342 S CB -0.991 62.309 63.200 0.167 0.000 0.823 342 S HN 0.459 nan 8.310 nan 0.000 0.469 343 F N 3.760 123.706 119.950 -0.008 0.000 2.069 343 F HA -0.145 4.382 4.527 0.000 0.000 0.298 343 F C 2.765 178.564 175.800 -0.001 0.000 1.113 343 F CA 1.818 59.812 58.000 -0.009 0.000 1.214 343 F CB -0.759 38.214 39.000 -0.045 0.000 0.978 343 F HN 0.388 nan 8.300 nan 0.000 0.474 344 S N -0.832 114.905 115.700 0.062 0.000 2.406 344 S HA -0.160 4.310 4.470 0.000 0.000 0.228 344 S C 1.699 176.260 174.600 -0.064 0.000 1.020 344 S CA 1.221 59.400 58.200 -0.034 0.000 0.965 344 S CB -0.665 62.558 63.200 0.038 0.000 0.798 344 S HN 0.407 nan 8.310 nan 0.000 0.488 345 D N 1.599 121.980 120.400 -0.032 0.000 2.219 345 D HA 0.049 4.689 4.640 0.000 0.000 0.205 345 D C 1.364 177.643 176.300 -0.036 0.000 0.970 345 D CA 0.946 54.932 54.000 -0.023 0.000 0.851 345 D CB -0.143 40.656 40.800 -0.002 0.000 0.943 345 D HN 0.300 nan 8.370 nan 0.000 0.488 346 K N -0.745 119.616 120.400 -0.065 0.000 2.417 346 K HA 0.267 4.587 4.320 0.000 0.000 0.196 346 K C 1.042 177.571 176.600 -0.118 0.000 1.023 346 K CA 0.334 56.580 56.287 -0.068 0.000 1.122 346 K CB 0.550 33.027 32.500 -0.038 0.000 0.850 346 K HN 0.123 nan 8.250 nan 0.000 0.521 347 G N -0.998 107.709 108.800 -0.155 0.000 2.195 347 G HA2 -0.184 3.776 3.960 0.000 0.000 0.224 347 G HA3 -0.184 3.776 3.960 0.000 0.000 0.224 347 G C 0.690 175.444 174.900 -0.244 0.000 0.990 347 G CA 0.029 45.041 45.100 -0.146 0.000 0.639 347 G HN 0.661 nan 8.290 nan 0.000 0.514 348 G N -0.165 108.293 108.800 -0.570 0.000 2.574 348 G HA2 -0.223 3.737 3.960 0.000 0.000 0.282 348 G HA3 -0.223 3.737 3.960 0.000 0.000 0.282 348 G C 1.092 175.738 174.900 -0.424 0.000 1.257 348 G CA 0.544 45.077 45.100 -0.945 0.000 0.956 348 G HN 1.195 nan 8.290 nan 0.000 0.560 349 L N 0.346 121.575 121.223 0.009 0.000 2.201 349 L HA -0.041 4.300 4.340 0.000 0.000 0.212 349 L C 3.284 180.266 176.870 0.187 0.000 1.105 349 L CA 1.968 56.960 54.840 0.255 0.000 0.775 349 L CB -0.763 41.486 42.059 0.317 0.000 0.913 349 L HN 0.713 nan 8.230 nan 0.000 0.440 350 T N -1.163 113.444 114.554 0.087 0.000 2.737 350 T HA -0.247 4.103 4.350 0.000 0.000 0.265 350 T C 1.828 176.555 174.700 0.046 0.000 1.038 350 T CA 1.453 63.590 62.100 0.062 0.000 1.144 350 T CB -0.084 68.803 68.868 0.032 0.000 0.866 350 T HN 0.203 nan 8.240 nan 0.000 0.434 351 Q N 0.349 120.162 119.800 0.022 0.000 2.119 351 Q HA 0.001 4.341 4.340 0.000 0.000 0.201 351 Q C 1.816 177.856 176.000 0.067 0.000 0.972 351 Q CA 1.320 57.134 55.803 0.018 0.000 0.847 351 Q CB -0.695 28.033 28.738 -0.016 0.000 0.903 351 Q HN 0.497 nan 8.270 nan 0.000 0.433 352 F N 0.995 120.931 119.950 -0.023 0.000 2.216 352 F HA -0.062 4.465 4.527 0.000 0.000 0.300 352 F C 1.936 177.766 175.800 0.049 0.000 1.085 352 F CA 1.519 59.541 58.000 0.036 0.000 1.326 352 F CB -0.145 38.917 39.000 0.104 0.000 1.027 352 F HN 0.094 nan 8.300 nan 0.000 0.497 353 K N 0.470 120.866 120.400 -0.005 0.000 2.211 353 K HA -0.196 4.124 4.320 0.000 0.000 0.204 353 K C 1.941 178.456 176.600 -0.141 0.000 1.047 353 K CA 1.337 57.586 56.287 -0.065 0.000 0.935 353 K CB -0.051 32.469 32.500 0.034 0.000 0.728 353 K HN 0.256 nan 8.250 nan 0.000 0.452 354 K N -0.337 119.990 120.400 -0.122 0.000 2.211 354 K HA -0.085 4.235 4.320 0.000 0.000 0.203 354 K C 1.996 178.492 176.600 -0.174 0.000 1.050 354 K CA 1.028 57.248 56.287 -0.112 0.000 0.945 354 K CB 0.019 32.478 32.500 -0.068 0.000 0.732 354 K HN 0.165 nan 8.250 nan 0.000 0.451 355 A N 1.263 123.905 122.820 -0.296 0.000 1.874 355 A HA -0.108 4.212 4.320 0.000 0.000 0.214 355 A C 2.254 179.611 177.584 -0.378 0.000 1.189 355 A CA 1.784 53.616 52.037 -0.342 0.000 0.615 355 A CB -0.855 17.866 19.000 -0.464 0.000 0.830 355 A HN 0.403 nan 8.150 nan 0.000 0.443 356 T N -2.957 111.296 114.554 -0.501 0.000 3.035 356 T HA -0.015 4.335 4.350 0.000 0.000 0.268 356 T C 1.787 176.340 174.700 -0.245 0.000 1.109 356 T CA 1.515 63.366 62.100 -0.416 0.000 1.119 356 T CB -0.227 68.390 68.868 -0.418 0.000 0.900 356 T HN 0.209 nan 8.240 nan 0.000 0.503 357 S N 0.832 116.424 115.700 -0.181 0.000 2.436 357 S HA 0.314 4.784 4.470 0.000 0.000 0.228 357 S C 1.454 175.998 174.600 -0.093 0.000 1.014 357 S CA 0.377 58.514 58.200 -0.104 0.000 0.950 357 S CB -0.341 62.813 63.200 -0.076 0.000 0.784 357 S HN 0.837 nan 8.310 nan 0.000 0.504 358 G N 0.159 108.889 108.800 -0.117 0.000 2.568 358 G HA2 0.577 4.537 3.960 0.000 0.000 0.293 358 G HA3 0.577 4.537 3.960 0.000 0.000 0.293 358 G C -0.004 174.836 174.900 -0.100 0.000 1.347 358 G CA -0.381 44.664 45.100 -0.092 0.000 1.039 358 G HN 0.368 nan 8.290 nan 0.000 0.523 359 G N -1.175 107.580 108.800 -0.075 0.000 2.420 359 G HA2 0.522 4.482 3.960 0.000 0.000 0.284 359 G HA3 0.522 4.482 3.960 0.000 0.000 0.284 359 G C -0.520 174.342 174.900 -0.064 0.000 1.177 359 G CA -0.474 44.587 45.100 -0.066 0.000 0.841 359 G HN 0.428 nan 8.290 nan 0.000 0.527 360 M N 1.054 120.631 119.600 -0.039 0.000 2.446 360 M HA 0.287 4.767 4.480 0.000 0.000 0.294 360 M C -0.789 175.616 176.300 0.176 0.000 1.158 360 M CA -0.795 54.516 55.300 0.018 0.000 0.899 360 M CB 2.845 35.412 32.600 -0.055 0.000 1.687 360 M HN 0.190 nan 8.290 nan 0.000 0.455 361 V N 3.002 122.972 119.914 0.093 0.000 2.509 361 V HA 0.306 4.426 4.120 0.000 0.000 0.284 361 V C -0.397 175.615 176.094 -0.137 0.000 1.047 361 V CA -0.782 61.521 62.300 0.006 0.000 0.952 361 V CB 1.505 33.178 31.823 -0.250 0.000 0.988 361 V HN 0.638 nan 8.190 nan 0.000 0.469 362 L N 6.901 127.940 121.223 -0.307 0.000 2.331 362 L HA 0.512 4.852 4.340 0.000 0.000 0.278 362 L C -0.305 176.171 176.870 -0.657 0.000 1.106 362 L CA 0.626 54.911 54.840 -0.926 0.000 0.824 362 L CB 1.093 42.608 42.059 -0.908 0.000 1.142 362 L HN 0.449 nan 8.230 nan 0.000 0.443 363 V N 6.287 125.678 119.914 -0.872 0.000 2.656 363 V HA 0.554 4.674 4.120 0.000 0.000 0.307 363 V C -0.135 175.497 176.094 -0.770 0.000 1.051 363 V CA -0.604 61.240 62.300 -0.760 0.000 0.893 363 V CB 1.746 32.947 31.823 -1.037 0.000 0.999 363 V HN 0.797 nan 8.190 nan 0.000 0.426 364 M N 4.163 123.428 119.600 -0.557 0.000 2.263 364 M HA 0.654 5.134 4.480 0.000 0.000 0.295 364 M C -0.489 175.719 176.300 -0.153 0.000 1.028 364 M CA -0.173 54.868 55.300 -0.430 0.000 0.921 364 M CB 2.317 34.603 32.600 -0.524 0.000 1.601 364 M HN 0.854 nan 8.290 nan 0.000 0.440 365 S N 2.865 118.645 115.700 0.132 0.000 2.618 365 S HA 0.910 5.380 4.470 0.000 0.000 0.277 365 S C -1.642 173.237 174.600 0.466 0.000 1.138 365 S CA -0.918 57.424 58.200 0.238 0.000 0.844 365 S CB 2.392 65.728 63.200 0.227 0.000 1.127 365 S HN 0.651 nan 8.310 nan 0.000 0.474 366 L N 2.372 123.875 121.223 0.468 0.000 2.439 366 L HA 0.849 5.189 4.340 0.000 0.000 0.270 366 L C -1.613 175.650 176.870 0.656 0.000 0.972 366 L CA -0.131 55.001 54.840 0.487 0.000 0.836 366 L CB 1.525 43.800 42.059 0.359 0.000 1.255 366 L HN 0.981 nan 8.230 nan 0.000 0.404 367 W N 3.141 124.622 121.300 0.302 0.000 3.074 367 W HA 0.629 5.289 4.660 0.000 0.000 0.332 367 W C -1.734 174.968 176.519 0.305 0.000 1.253 367 W CA -0.879 56.687 57.345 0.369 0.000 1.180 367 W CB 0.804 30.473 29.460 0.349 0.000 1.445 367 W HN 0.638 nan 8.180 nan 0.000 0.573 368 D N -0.076 120.644 120.400 0.534 0.000 2.350 368 D HA 0.303 4.943 4.640 0.000 0.000 0.238 368 D C -1.233 175.308 176.300 0.402 0.000 0.989 368 D CA -0.507 53.623 54.000 0.217 0.000 0.921 368 D CB 1.824 42.785 40.800 0.268 0.000 1.297 368 D HN 0.141 nan 8.370 nan 0.000 0.490 369 D N 0.323 120.817 120.400 0.156 0.000 2.396 369 D HA 0.125 4.765 4.640 0.000 0.000 0.225 369 D C -0.281 176.158 176.300 0.231 0.000 1.121 369 D CA -0.485 53.732 54.000 0.362 0.000 0.853 369 D CB 0.155 41.083 40.800 0.213 0.000 1.043 369 D HN 0.320 nan 8.370 nan 0.000 0.500 370 Y N 2.273 122.758 120.300 0.309 0.000 2.583 370 Y HA -0.037 4.513 4.550 0.000 0.000 0.293 370 Y C 0.834 176.670 175.900 -0.106 0.000 1.157 370 Y CA 0.656 58.807 58.100 0.085 0.000 1.315 370 Y CB 0.081 38.555 38.460 0.024 0.000 1.021 370 Y HN 0.523 nan 8.280 nan 0.000 0.536 371 Y N -2.526 117.898 120.300 0.207 0.000 2.559 371 Y HA 0.376 4.926 4.550 0.000 0.000 0.279 371 Y C 1.848 177.815 175.900 0.112 0.000 1.117 371 Y CA 0.461 58.629 58.100 0.113 0.000 1.263 371 Y CB 0.185 38.654 38.460 0.014 0.000 1.230 371 Y HN -0.077 nan 8.280 nan 0.000 0.528 372 A N -0.748 122.239 122.820 0.279 0.000 2.661 372 A HA 0.242 4.562 4.320 0.000 0.000 0.278 372 A C 0.389 178.021 177.584 0.081 0.000 1.090 372 A CA 0.017 52.176 52.037 0.203 0.000 0.969 372 A CB -0.719 18.412 19.000 0.217 0.000 1.240 372 A HN 0.461 nan 8.150 nan 0.000 0.578 373 N N -1.373 117.355 118.700 0.047 0.000 2.681 373 N HA -0.298 4.442 4.740 0.000 0.000 0.250 373 N C 0.470 175.858 175.510 -0.202 0.000 1.133 373 N CA 0.600 53.606 53.050 -0.074 0.000 0.732 373 N CB -0.811 37.631 38.487 -0.075 0.000 1.107 373 N HN 0.565 nan 8.380 nan 0.000 0.559 374 M N -1.753 117.694 119.600 -0.255 0.000 2.899 374 M HA -0.221 4.259 4.480 0.000 0.000 0.195 374 M C 0.677 176.472 176.300 -0.841 0.000 0.603 374 M CA 0.720 55.602 55.300 -0.696 0.000 0.712 374 M CB -1.244 30.968 32.600 -0.646 0.000 2.569 374 M HN 0.387 nan 8.290 nan 0.000 0.406 375 L N -0.809 120.084 121.223 -0.549 0.000 2.141 375 L HA -0.154 4.186 4.340 0.000 0.000 0.209 375 L C 2.258 178.829 176.870 -0.498 0.000 1.094 375 L CA 1.890 56.481 54.840 -0.414 0.000 0.763 375 L CB -0.831 41.143 42.059 -0.142 0.000 0.908 375 L HN 0.806 nan 8.230 nan 0.000 0.437 376 W N -0.082 120.854 121.300 -0.608 0.000 2.421 376 W HA -0.143 4.517 4.660 0.000 0.000 0.270 376 W C 1.814 178.211 176.519 -0.202 0.000 1.233 376 W CA 0.349 57.420 57.345 -0.457 0.000 1.226 376 W CB -0.551 28.616 29.460 -0.489 0.000 1.121 376 W HN 0.196 nan 8.180 nan 0.000 0.579 377 L N 2.372 122.950 121.223 -1.075 0.000 2.269 377 L HA 0.074 4.414 4.340 0.000 0.000 0.200 377 L C 1.346 177.897 176.870 -0.531 0.000 1.069 377 L CA 2.427 56.732 54.840 -0.891 0.000 0.804 377 L CB -0.613 40.572 42.059 -1.457 0.000 0.987 377 L HN -0.085 nan 8.230 nan 0.000 0.468 378 D N -2.052 118.021 120.400 -0.545 0.000 2.513 378 D HA 0.243 4.883 4.640 0.000 0.000 0.222 378 D C 0.569 176.664 176.300 -0.342 0.000 1.210 378 D CA 0.166 53.914 54.000 -0.420 0.000 0.825 378 D CB 0.299 40.854 40.800 -0.407 0.000 1.037 378 D HN 0.183 nan 8.370 nan 0.000 0.506 379 S N -1.302 114.236 115.700 -0.270 0.000 3.132 379 S HA 0.629 5.099 4.470 0.000 0.000 0.322 379 S C -1.004 173.551 174.600 -0.075 0.000 1.124 379 S CA -0.543 57.556 58.200 -0.168 0.000 0.906 379 S CB 0.768 63.886 63.200 -0.135 0.000 1.349 379 S HN 0.012 nan 8.310 nan 0.000 0.686 380 T N 1.729 116.278 114.554 -0.008 0.000 2.799 380 T HA 0.590 4.940 4.350 0.000 0.000 0.286 380 T C -1.725 173.062 174.700 0.144 0.000 0.973 380 T CA 0.120 62.246 62.100 0.042 0.000 1.035 380 T CB 0.537 69.418 68.868 0.022 0.000 0.932 380 T HN 0.437 nan 8.240 nan 0.000 0.469 381 Y N 3.768 124.053 120.300 -0.025 0.000 2.399 381 Y HA 0.402 4.953 4.550 0.000 0.000 0.327 381 Y C -2.802 173.103 175.900 0.008 0.000 1.111 381 Y CA -2.365 55.740 58.100 0.009 0.000 1.047 381 Y CB 1.628 40.120 38.460 0.052 0.000 1.259 381 Y HN 0.458 nan 8.280 nan 0.000 0.434 382 P HA 0.064 nan 4.420 nan 0.000 0.270 382 P C 0.719 177.929 177.300 -0.150 0.000 1.223 382 P CA 0.465 63.241 63.100 -0.540 0.000 0.785 382 P CB 0.748 32.214 31.700 -0.391 0.000 0.923 383 T N -2.319 112.198 114.554 -0.061 0.000 2.962 383 T HA -0.154 4.196 4.350 0.000 0.000 0.270 383 T C 1.177 175.865 174.700 -0.020 0.000 1.088 383 T CA 1.182 63.285 62.100 0.004 0.000 1.127 383 T CB -0.864 68.024 68.868 0.032 0.000 0.883 383 T HN 0.464 nan 8.240 nan 0.000 0.493 384 N N 1.043 119.716 118.700 -0.045 0.000 2.467 384 N HA -0.027 4.713 4.740 0.000 0.000 0.184 384 N C 0.249 175.737 175.510 -0.037 0.000 1.106 384 N CA 0.197 53.225 53.050 -0.036 0.000 0.892 384 N CB -0.168 38.295 38.487 -0.040 0.000 0.969 384 N HN 0.378 nan 8.380 nan 0.000 0.454 385 E N 0.782 120.954 120.200 -0.046 0.000 2.371 385 E HA 0.149 4.499 4.350 0.000 0.000 0.257 385 E C 0.366 176.951 176.600 -0.025 0.000 1.134 385 E CA -0.027 56.349 56.400 -0.041 0.000 0.919 385 E CB 1.147 30.813 29.700 -0.056 0.000 1.025 385 E HN 0.413 nan 8.360 nan 0.000 0.438 386 T N -3.030 111.511 114.554 -0.022 0.000 2.938 386 T HA 0.227 4.577 4.350 0.000 0.000 0.285 386 T C 1.146 175.839 174.700 -0.012 0.000 1.028 386 T CA -0.180 61.912 62.100 -0.012 0.000 1.005 386 T CB 1.079 69.941 68.868 -0.009 0.000 1.157 386 T HN 0.298 nan 8.240 nan 0.000 0.550 387 S N 0.230 115.929 115.700 -0.001 0.000 2.474 387 S HA -0.095 4.375 4.470 0.000 0.000 0.235 387 S C 2.000 176.598 174.600 -0.004 0.000 0.997 387 S CA 0.943 59.145 58.200 0.004 0.000 0.949 387 S CB -1.018 62.192 63.200 0.016 0.000 0.766 387 S HN 0.987 nan 8.310 nan 0.000 0.517 388 S N 0.512 116.208 115.700 -0.005 0.000 2.561 388 S HA 0.070 4.540 4.470 0.000 0.000 0.225 388 S C 0.595 175.190 174.600 -0.008 0.000 0.977 388 S CA -0.040 58.157 58.200 -0.004 0.000 0.926 388 S CB -0.736 62.463 63.200 -0.002 0.000 0.769 388 S HN 0.399 nan 8.310 nan 0.000 0.533 389 T N 4.886 119.427 114.554 -0.022 0.000 2.749 389 T HA 0.403 4.753 4.350 0.000 0.000 0.295 389 T C -2.764 171.899 174.700 -0.061 0.000 0.936 389 T CA -1.182 60.898 62.100 -0.034 0.000 1.060 389 T CB 1.077 69.917 68.868 -0.046 0.000 0.904 389 T HN 0.137 nan 8.240 nan 0.000 0.500 390 P HA 0.193 nan 4.420 nan 0.000 0.262 390 P C 1.067 178.115 177.300 -0.421 0.000 1.199 390 P CA 0.755 63.829 63.100 -0.044 0.000 0.763 390 P CB 0.212 32.004 31.700 0.154 0.000 0.790 391 G N 3.278 111.650 108.800 -0.712 0.000 2.184 391 G HA2 -0.362 3.598 3.960 0.000 0.000 0.264 391 G HA3 -0.362 3.598 3.960 0.000 0.000 0.264 391 G C 1.170 175.750 174.900 -0.533 0.000 0.975 391 G CA 0.440 44.786 45.100 -1.257 0.000 0.642 391 G HN 0.651 nan 8.290 nan 0.000 0.536 392 A N -0.624 122.028 122.820 -0.279 0.000 1.930 392 A HA 0.439 4.759 4.320 0.000 0.000 0.217 392 A C 1.433 178.990 177.584 -0.044 0.000 1.175 392 A CA 1.745 53.711 52.037 -0.119 0.000 0.627 392 A CB -0.001 18.952 19.000 -0.079 0.000 0.815 392 A HN 1.106 nan 8.150 nan 0.000 0.443 393 V N 0.692 120.589 119.914 -0.029 0.000 2.408 393 V HA 0.253 4.373 4.120 0.000 0.000 0.267 393 V C 0.857 177.004 176.094 0.088 0.000 1.047 393 V CA -0.049 62.279 62.300 0.047 0.000 0.937 393 V CB 0.691 32.583 31.823 0.115 0.000 0.999 393 V HN 0.520 nan 8.190 nan 0.000 0.472 394 R N 2.638 123.143 120.500 0.008 0.000 2.373 394 R HA 0.505 4.845 4.340 0.000 0.000 0.221 394 R C 0.759 176.876 176.300 -0.304 0.000 0.893 394 R CA 0.475 56.559 56.100 -0.026 0.000 1.049 394 R CB 1.067 31.337 30.300 -0.050 0.000 1.119 394 R HN 0.834 nan 8.270 nan 0.000 0.535 395 G N -1.172 107.304 108.800 -0.540 0.000 2.495 395 G HA2 0.203 4.163 3.960 0.000 0.000 0.294 395 G HA3 0.203 4.163 3.960 0.000 0.000 0.294 395 G C -0.391 174.121 174.900 -0.646 0.000 1.397 395 G CA -0.204 44.293 45.100 -1.004 0.000 0.790 395 G HN -0.048 nan 8.290 nan 0.000 0.486 396 S N -1.626 113.776 115.700 -0.498 0.000 2.575 396 S HA 0.171 4.641 4.470 0.000 0.000 0.215 396 S C 0.851 175.376 174.600 -0.125 0.000 0.966 396 S CA -0.079 58.026 58.200 -0.160 0.000 0.911 396 S CB -0.590 62.604 63.200 -0.010 0.000 0.780 396 S HN 0.684 nan 8.310 nan 0.000 0.514 397 c N 2.685 121.177 118.600 -0.181 0.000 2.676 397 c HA 0.562 5.132 4.570 0.000 0.000 0.416 397 c C 1.306 175.332 174.090 -0.107 0.000 1.299 397 c CA -0.529 55.712 56.329 -0.147 0.000 2.048 397 c CB 0.218 42.613 42.510 -0.192 0.000 2.713 397 c HN 0.642 nan 8.230 nan 0.000 0.624 398 S N 1.204 116.854 115.700 -0.082 0.000 2.572 398 S HA 0.061 4.531 4.470 0.000 0.000 0.279 398 S C 1.449 176.014 174.600 -0.058 0.000 1.341 398 S CA 0.235 58.400 58.200 -0.057 0.000 1.043 398 S CB 0.625 63.797 63.200 -0.047 0.000 0.887 398 S HN 0.939 nan 8.310 nan 0.000 0.516 399 T N 0.843 115.376 114.554 -0.035 0.000 3.098 399 T HA -0.053 4.297 4.350 0.000 0.000 0.266 399 T C 1.438 176.126 174.700 -0.020 0.000 1.145 399 T CA 0.955 63.044 62.100 -0.018 0.000 1.092 399 T CB -0.538 68.333 68.868 0.004 0.000 0.908 399 T HN 0.659 nan 8.240 nan 0.000 0.526 400 S N 0.702 116.383 115.700 -0.032 0.000 2.540 400 S HA 0.252 4.722 4.470 0.000 0.000 0.218 400 S C 0.965 175.536 174.600 -0.050 0.000 0.977 400 S CA -0.277 57.904 58.200 -0.032 0.000 0.918 400 S CB -0.306 62.877 63.200 -0.027 0.000 0.806 400 S HN 0.666 nan 8.310 nan 0.000 0.496 401 S N 0.385 116.044 115.700 -0.069 0.000 2.645 401 S HA 0.625 5.095 4.470 0.000 0.000 0.266 401 S C 1.295 175.828 174.600 -0.111 0.000 1.258 401 S CA 0.148 58.292 58.200 -0.093 0.000 0.990 401 S CB 0.354 63.484 63.200 -0.117 0.000 0.967 401 S HN 1.491 nan 8.310 nan 0.000 0.556 402 G N -0.838 107.886 108.800 -0.128 0.000 2.162 402 G HA2 -0.228 3.732 3.960 0.000 0.000 0.260 402 G HA3 -0.228 3.732 3.960 0.000 0.000 0.260 402 G C 0.042 174.865 174.900 -0.129 0.000 0.976 402 G CA -0.006 45.006 45.100 -0.147 0.000 0.655 402 G HN 1.187 nan 8.290 nan 0.000 0.533 403 V N 1.458 121.310 119.914 -0.104 0.000 2.450 403 V HA 0.113 4.233 4.120 0.000 0.000 0.281 403 V C 0.126 176.138 176.094 -0.136 0.000 1.019 403 V CA -0.062 62.169 62.300 -0.114 0.000 1.062 403 V CB 1.111 32.889 31.823 -0.076 0.000 0.979 403 V HN 0.126 nan 8.190 nan 0.000 0.477 404 P HA -0.253 nan 4.420 nan 0.000 0.214 404 P C 1.628 178.864 177.300 -0.107 0.000 1.169 404 P CA 2.178 65.100 63.100 -0.296 0.000 0.908 404 P CB 0.139 31.252 31.700 -0.979 0.000 0.791 405 A N -0.696 122.070 122.820 -0.090 0.000 1.940 405 A HA -0.310 4.010 4.320 0.000 0.000 0.219 405 A C 2.400 179.983 177.584 -0.001 0.000 1.176 405 A CA 2.114 54.144 52.037 -0.012 0.000 0.631 405 A CB -1.457 17.544 19.000 0.001 0.000 0.814 405 A HN 0.245 nan 8.150 nan 0.000 0.446 406 Q N -0.153 119.638 119.800 -0.015 0.000 2.020 406 Q HA -0.116 4.224 4.340 0.000 0.000 0.198 406 Q C 2.072 178.087 176.000 0.025 0.000 0.974 406 Q CA 2.304 58.106 55.803 -0.003 0.000 0.829 406 Q CB -0.307 28.419 28.738 -0.020 0.000 0.894 406 Q HN 0.654 nan 8.270 nan 0.000 0.433 407 V N -1.564 118.374 119.914 0.040 0.000 2.515 407 V HA -0.194 3.927 4.120 0.000 0.000 0.250 407 V C 1.595 177.844 176.094 0.257 0.000 1.058 407 V CA 2.036 64.398 62.300 0.103 0.000 1.064 407 V CB -0.769 31.090 31.823 0.061 0.000 0.675 407 V HN 0.303 nan 8.190 nan 0.000 0.461 408 E N 0.853 121.185 120.200 0.221 0.000 2.150 408 E HA -0.136 4.214 4.350 0.000 0.000 0.193 408 E C 2.355 178.991 176.600 0.059 0.000 0.985 408 E CA 1.385 57.849 56.400 0.106 0.000 0.814 408 E CB -0.158 29.507 29.700 -0.058 0.000 0.752 408 E HN 0.684 nan 8.360 nan 0.000 0.466 409 S N 0.085 115.817 115.700 0.053 0.000 2.406 409 S HA -0.078 4.392 4.470 0.000 0.000 0.224 409 S C 1.854 176.478 174.600 0.041 0.000 1.030 409 S CA 0.733 58.952 58.200 0.032 0.000 0.958 409 S CB 0.144 63.354 63.200 0.018 0.000 0.811 409 S HN 0.179 nan 8.310 nan 0.000 0.489 410 Q N 0.056 119.887 119.800 0.052 0.000 2.250 410 Q HA 0.236 4.576 4.340 0.000 0.000 0.200 410 Q C 0.315 176.348 176.000 0.054 0.000 0.941 410 Q CA 0.655 56.481 55.803 0.039 0.000 0.872 410 Q CB 0.313 29.063 28.738 0.019 0.000 0.965 410 Q HN 0.343 nan 8.270 nan 0.000 0.480 411 S N 1.238 117.000 115.700 0.102 0.000 2.422 411 S HA 0.160 4.630 4.470 0.000 0.000 0.226 411 S C -2.011 172.739 174.600 0.250 0.000 1.242 411 S CA -0.755 57.516 58.200 0.118 0.000 1.231 411 S CB 0.866 64.096 63.200 0.049 0.000 1.067 411 S HN 0.203 nan 8.310 nan 0.000 0.462 412 P HA -0.075 nan 4.420 nan 0.000 0.218 412 P C 0.532 177.948 177.300 0.194 0.000 1.149 412 P CA 1.059 64.264 63.100 0.175 0.000 0.817 412 P CB 0.064 31.803 31.700 0.066 0.000 0.785 413 N N 0.073 118.856 118.700 0.139 0.000 2.434 413 N HA 0.108 4.848 4.740 0.000 0.000 0.196 413 N C 0.840 176.418 175.510 0.114 0.000 1.183 413 N CA 0.095 53.210 53.050 0.109 0.000 0.849 413 N CB -0.218 38.307 38.487 0.064 0.000 0.992 413 N HN 0.170 nan 8.380 nan 0.000 0.460 414 A N 1.649 124.563 122.820 0.156 0.000 2.448 414 A HA 0.345 4.665 4.320 0.000 0.000 0.239 414 A C 0.682 178.329 177.584 0.105 0.000 1.080 414 A CA 0.163 52.237 52.037 0.062 0.000 0.779 414 A CB 0.264 19.213 19.000 -0.086 0.000 1.026 414 A HN 0.417 nan 8.150 nan 0.000 0.499 415 K N -1.171 119.248 120.400 0.032 0.000 2.658 415 K HA 0.655 4.975 4.320 0.000 0.000 0.293 415 K C -1.942 174.649 176.600 -0.015 0.000 1.026 415 K CA -0.832 55.485 56.287 0.050 0.000 0.871 415 K CB 1.455 33.991 32.500 0.060 0.000 1.524 415 K HN 0.968 nan 8.250 nan 0.000 0.400 416 V N 0.610 120.506 119.914 -0.030 0.000 2.841 416 V HA 0.648 4.768 4.120 0.000 0.000 0.310 416 V C -1.663 174.307 176.094 -0.206 0.000 1.090 416 V CA -0.131 62.076 62.300 -0.155 0.000 0.930 416 V CB 2.408 34.096 31.823 -0.225 0.000 1.014 416 V HN 0.910 nan 8.190 nan 0.000 0.425 417 T N 7.102 121.493 114.554 -0.272 0.000 2.847 417 T HA 0.618 4.968 4.350 0.000 0.000 0.291 417 T C -1.074 173.494 174.700 -0.220 0.000 0.998 417 T CA 0.037 62.037 62.100 -0.166 0.000 0.967 417 T CB 0.667 69.510 68.868 -0.041 0.000 0.954 417 T HN 0.396 nan 8.240 nan 0.000 0.441 418 F N 2.541 122.554 119.950 0.105 0.000 2.443 418 F HA 0.713 5.240 4.527 0.000 0.000 0.335 418 F C 0.933 176.796 175.800 0.106 0.000 1.104 418 F CA -0.533 57.540 58.000 0.122 0.000 1.013 418 F CB 1.768 40.800 39.000 0.054 0.000 1.136 418 F HN 0.609 nan 8.300 nan 0.000 0.470 419 S N 1.021 116.910 115.700 0.314 0.000 2.625 419 S HA 0.463 4.933 4.470 0.000 0.000 0.271 419 S C -0.602 174.106 174.600 0.180 0.000 1.161 419 S CA -1.104 57.217 58.200 0.203 0.000 0.820 419 S CB 1.433 64.714 63.200 0.136 0.000 1.137 419 S HN 0.663 nan 8.310 nan 0.000 0.470 420 N N -0.025 118.757 118.700 0.138 0.000 2.705 420 N HA -0.149 4.591 4.740 0.000 0.000 0.255 420 N C -0.845 174.726 175.510 0.101 0.000 1.008 420 N CA 0.620 53.736 53.050 0.110 0.000 0.742 420 N CB -1.621 36.910 38.487 0.074 0.000 0.906 420 N HN 0.702 nan 8.380 nan 0.000 0.541 421 I N 0.599 121.243 120.570 0.122 0.000 2.556 421 I HA 0.039 4.209 4.170 0.000 0.000 0.284 421 I C 0.708 176.870 176.117 0.075 0.000 1.114 421 I CA 0.442 61.748 61.300 0.010 0.000 1.418 421 I CB 0.522 38.535 38.000 0.021 0.000 1.394 421 I HN 0.092 nan 8.210 nan 0.000 0.552 422 K N 6.690 127.046 120.400 -0.074 0.000 2.468 422 K HA 0.566 4.886 4.320 0.000 0.000 0.252 422 K C -1.337 175.333 176.600 0.116 0.000 0.932 422 K CA -0.702 55.646 56.287 0.102 0.000 0.794 422 K CB 2.786 35.318 32.500 0.054 0.000 1.241 422 K HN 0.346 nan 8.250 nan 0.000 0.428 423 F N 0.660 120.725 119.950 0.191 0.000 2.591 423 F HA 0.739 5.266 4.527 0.000 0.000 0.309 423 F C -0.426 175.538 175.800 0.273 0.000 1.098 423 F CA -0.013 58.147 58.000 0.267 0.000 0.937 423 F CB 2.222 41.522 39.000 0.500 0.000 1.250 423 F HN 0.680 nan 8.300 nan 0.000 0.447 424 G N 3.762 112.177 108.800 -0.642 0.000 2.321 424 G HA2 0.379 4.339 3.960 0.000 0.000 0.296 424 G HA3 0.379 4.339 3.960 0.000 0.000 0.296 424 G C -3.448 171.219 174.900 -0.388 0.000 1.287 424 G CA -1.000 43.825 45.100 -0.458 0.000 0.846 424 G HN 0.424 nan 8.290 nan 0.000 0.508 425 P HA 0.267 nan 4.420 nan 0.000 0.268 425 P C 0.352 177.619 177.300 -0.054 0.000 1.208 425 P CA -0.188 62.849 63.100 -0.104 0.000 0.777 425 P CB 0.446 32.115 31.700 -0.051 0.000 0.875 426 I N 1.553 122.117 120.570 -0.010 0.000 2.821 426 I HA -0.020 4.150 4.170 0.000 0.000 0.294 426 I C 1.627 177.759 176.117 0.025 0.000 1.210 426 I CA 1.475 62.791 61.300 0.026 0.000 1.430 426 I CB -0.795 37.230 38.000 0.042 0.000 1.356 426 I HN 0.745 nan 8.210 nan 0.000 0.563 427 G N 3.908 112.736 108.800 0.046 0.000 2.157 427 G HA2 -0.305 3.656 3.960 0.000 0.000 0.248 427 G HA3 -0.305 3.656 3.960 0.000 0.000 0.248 427 G C 0.809 175.728 174.900 0.033 0.000 0.979 427 G CA 0.533 45.659 45.100 0.044 0.000 0.650 427 G HN 0.749 nan 8.290 nan 0.000 0.529 428 S N -0.838 114.875 115.700 0.023 0.000 2.497 428 S HA 0.088 4.558 4.470 0.000 0.000 0.221 428 S C 2.215 176.829 174.600 0.024 0.000 1.037 428 S CA 1.527 59.736 58.200 0.014 0.000 0.920 428 S CB -0.221 62.976 63.200 -0.005 0.000 0.800 428 S HN 1.265 nan 8.310 nan 0.000 0.505 429 T N -0.990 113.582 114.554 0.031 0.000 3.051 429 T HA 0.142 4.492 4.350 0.000 0.000 0.269 429 T C 1.747 176.472 174.700 0.042 0.000 1.127 429 T CA 1.038 63.158 62.100 0.034 0.000 1.107 429 T CB -0.749 68.130 68.868 0.019 0.000 0.898 429 T HN 0.445 nan 8.240 nan 0.000 0.517 430 G N 1.243 110.079 108.800 0.060 0.000 2.813 430 G HA2 0.081 4.041 3.960 0.000 0.000 0.209 430 G HA3 0.081 4.041 3.960 0.000 0.000 0.209 430 G C 0.593 175.516 174.900 0.039 0.000 1.150 430 G CA -0.469 44.669 45.100 0.064 0.000 0.785 430 G HN 0.415 nan 8.290 nan 0.000 0.535 431 N N 0.893 119.612 118.700 0.030 0.000 2.408 431 N HA 0.274 5.014 4.740 0.000 0.000 0.260 431 N C -2.709 172.813 175.510 0.020 0.000 1.242 431 N CA -1.497 51.565 53.050 0.021 0.000 0.959 431 N CB 0.466 38.963 38.487 0.016 0.000 1.201 431 N HN -0.143 nan 8.380 nan 0.000 0.511 432 P HA 0.029 nan 4.420 nan 0.000 0.261 432 P C -0.524 176.784 177.300 0.014 0.000 1.183 432 P CA 0.492 63.600 63.100 0.013 0.000 0.761 432 P CB 0.358 32.064 31.700 0.009 0.000 0.785 433 S N 1.814 117.524 115.700 0.016 0.000 2.565 433 S HA 0.467 4.937 4.470 0.000 0.000 0.276 433 S C 0.903 175.507 174.600 0.006 0.000 1.326 433 S CA -0.263 57.947 58.200 0.016 0.000 1.045 433 S CB 0.795 64.009 63.200 0.023 0.000 0.918 433 S HN 0.572 nan 8.310 nan 0.000 0.505 434 G N 0.000 108.799 108.800 -0.002 0.000 5.446 434 G HA2 0.000 3.960 3.960 0.000 0.000 0.244 434 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 434 G CA 0.000 45.094 45.100 -0.011 0.000 0.502 434 G HN 0.000 nan 8.290 nan 0.000 0.925