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 1cel_1_B DATA FIRST_RESID 2 DATA SEQUENCE SAcTLQSETH PPLTWQKcSS GGTcTQQTGS VVIDANWRWT HATNSSTNcY DATA SEQUENCE DGNTWSSTLc PDNETcAKNc cLDGAAYAST YGVTTSGNSL SIGFVTQSAQ DATA SEQUENCE KNVGARLYLM ASDTTYQEFT LLGNEFSFDV DVSQLPcGLN GALYFVSMDA DATA SEQUENCE DGGVSKYPTN TAGAKYGTGY cDSQcPRDLK FINGQANVEG WEPSSNNANT DATA SEQUENCE GIGGHGSccS EMDIWEANSI 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 -0.394 0.000 1.055 2 S CA 0.000 58.037 58.200 -0.272 0.000 1.107 2 S CB 0.000 63.076 63.200 -0.206 0.000 0.593 3 A N -0.131 122.445 122.820 -0.406 0.000 2.342 3 A HA 0.814 5.144 4.320 0.017 0.000 0.323 3 A C -0.225 177.116 177.584 -0.405 0.000 1.125 3 A CA -0.672 50.988 52.037 -0.629 0.000 0.785 3 A CB 0.771 19.237 19.000 -0.890 0.000 1.221 3 A HN 1.086 nan 8.150 nan 0.000 0.463 4 c N 0.453 118.819 118.600 -0.390 0.000 2.505 4 c HA 0.811 5.391 4.570 0.017 0.000 0.358 4 c C 1.339 175.398 174.090 -0.052 0.000 1.226 4 c CA 0.319 56.530 56.329 -0.196 0.000 1.900 4 c CB 1.751 44.121 42.510 -0.233 0.000 2.306 4 c HN 0.934 nan 8.230 nan 0.000 0.512 5 T N -1.190 113.386 114.554 0.038 0.000 3.442 5 T HA 0.233 4.593 4.350 0.017 0.000 0.295 5 T C 0.859 175.633 174.700 0.124 0.000 1.007 5 T CA -0.158 62.004 62.100 0.102 0.000 0.962 5 T CB -0.422 68.495 68.868 0.083 0.000 1.187 5 T HN 0.519 nan 8.240 nan 0.000 0.490 6 L N -0.052 121.265 121.223 0.156 0.000 2.131 6 L HA 0.059 4.409 4.340 0.017 0.000 0.210 6 L C 1.230 178.215 176.870 0.192 0.000 1.092 6 L CA 1.141 56.083 54.840 0.171 0.000 0.759 6 L CB -0.192 41.988 42.059 0.203 0.000 0.903 6 L HN 0.415 nan 8.230 nan 0.000 0.435 7 Q N 0.445 120.383 119.800 0.231 0.000 2.340 7 Q HA 0.278 4.628 4.340 0.017 0.000 0.268 7 Q C -0.386 175.728 176.000 0.190 0.000 1.031 7 Q CA -0.702 55.225 55.803 0.208 0.000 0.804 7 Q CB 1.790 30.684 28.738 0.259 0.000 1.286 7 Q HN 0.186 nan 8.270 nan 0.000 0.448 8 S N 2.399 118.185 115.700 0.143 0.000 2.585 8 S HA 0.373 4.853 4.470 0.017 0.000 0.273 8 S C -0.092 174.579 174.600 0.118 0.000 1.339 8 S CA -0.630 57.641 58.200 0.119 0.000 1.028 8 S CB 0.945 64.192 63.200 0.078 0.000 0.906 8 S HN 0.685 nan 8.310 nan 0.000 0.528 9 E N 0.824 121.060 120.200 0.061 0.000 2.102 9 E HA 0.410 4.770 4.350 0.017 0.000 0.263 9 E C -1.328 175.165 176.600 -0.179 0.000 0.894 9 E CA -0.340 56.040 56.400 -0.034 0.000 0.746 9 E CB 0.874 30.458 29.700 -0.194 0.000 1.129 9 E HN 0.645 nan 8.360 nan 0.000 0.416 10 T N 4.762 119.269 114.554 -0.079 0.000 2.864 10 T HA 0.272 4.632 4.350 0.017 0.000 0.310 10 T C -0.812 173.775 174.700 -0.189 0.000 1.040 10 T CA -0.614 61.392 62.100 -0.156 0.000 0.977 10 T CB 0.125 68.976 68.868 -0.028 0.000 0.976 10 T HN 0.457 nan 8.240 nan 0.000 0.459 11 H N 3.336 122.326 119.070 -0.133 0.000 2.899 11 H HA 0.240 4.806 4.556 0.017 0.000 0.303 11 H C -2.234 172.911 175.328 -0.304 0.000 1.042 11 H CA -1.792 54.068 56.048 -0.313 0.000 1.479 11 H CB 0.284 29.946 29.762 -0.166 0.000 1.493 11 H HN 0.270 nan 8.280 nan 0.000 0.534 12 P HA 0.003 nan 4.420 nan 0.000 0.267 12 P C -2.421 174.833 177.300 -0.077 0.000 1.205 12 P CA -1.126 61.864 63.100 -0.184 0.000 0.765 12 P CB 0.372 31.938 31.700 -0.223 0.000 0.828 13 P HA 0.171 nan 4.420 nan 0.000 0.275 13 P C -1.069 176.256 177.300 0.042 0.000 1.228 13 P CA 0.010 63.123 63.100 0.022 0.000 0.786 13 P CB 0.683 32.399 31.700 0.027 0.000 0.927 14 L N 2.561 123.836 121.223 0.085 0.000 2.516 14 L HA 0.388 4.738 4.340 0.017 0.000 0.267 14 L C -0.188 176.810 176.870 0.213 0.000 0.957 14 L CA -0.113 54.801 54.840 0.124 0.000 0.860 14 L CB 1.804 43.927 42.059 0.106 0.000 1.265 14 L HN 0.495 nan 8.230 nan 0.000 0.403 15 T N 1.583 116.248 114.554 0.185 0.000 2.922 15 T HA 0.746 5.106 4.350 0.017 0.000 0.285 15 T C -0.491 174.400 174.700 0.319 0.000 1.005 15 T CA -0.460 61.750 62.100 0.184 0.000 1.061 15 T CB 1.069 69.979 68.868 0.071 0.000 1.007 15 T HN 0.691 nan 8.240 nan 0.000 0.502 16 W N -0.045 121.297 121.300 0.070 0.000 3.018 16 W HA 0.553 5.224 4.660 0.018 0.000 0.352 16 W C -1.477 175.096 176.519 0.090 0.000 1.230 16 W CA -1.105 56.293 57.345 0.088 0.000 1.162 16 W CB 0.864 30.405 29.460 0.134 0.000 1.483 16 W HN 0.485 nan 8.180 nan 0.000 0.584 17 Q N 1.849 121.813 119.800 0.273 0.000 2.337 17 Q HA 0.373 4.723 4.340 0.017 0.000 0.266 17 Q C -1.099 175.011 176.000 0.184 0.000 1.023 17 Q CA -0.720 55.122 55.803 0.065 0.000 0.829 17 Q CB 3.380 32.173 28.738 0.093 0.000 1.306 17 Q HN 0.492 nan 8.270 nan 0.000 0.449 18 K N 1.843 122.234 120.400 -0.015 0.000 2.307 18 K HA 0.472 4.802 4.320 0.017 0.000 0.263 18 K C -1.130 175.521 176.600 0.084 0.000 0.973 18 K CA -0.313 56.064 56.287 0.151 0.000 0.846 18 K CB 0.761 33.281 32.500 0.033 0.000 1.100 18 K HN 0.659 nan 8.250 nan 0.000 0.438 19 c N 2.142 120.804 118.600 0.104 0.000 2.399 19 c HA 0.657 5.237 4.570 0.017 0.000 0.348 19 c C 0.153 174.255 174.090 0.019 0.000 1.183 19 c CA -0.684 55.670 56.329 0.042 0.000 2.023 19 c CB 1.128 43.659 42.510 0.034 0.000 2.361 19 c HN 0.944 nan 8.230 nan 0.000 0.521 20 S N 0.122 115.827 115.700 0.008 0.000 2.677 20 S HA 0.456 4.936 4.470 0.017 0.000 0.304 20 S C 0.679 175.277 174.600 -0.003 0.000 1.108 20 S CA 0.100 58.301 58.200 0.002 0.000 0.944 20 S CB 1.363 64.567 63.200 0.005 0.000 1.127 20 S HN 0.941 nan 8.310 nan 0.000 0.511 21 S N 0.254 115.952 115.700 -0.003 0.000 2.447 21 S HA 0.029 4.509 4.470 0.017 0.000 0.233 21 S C 1.794 176.394 174.600 -0.000 0.000 1.006 21 S CA 0.801 59.000 58.200 -0.003 0.000 0.957 21 S CB -1.280 61.919 63.200 -0.001 0.000 0.773 21 S HN 1.150 nan 8.310 nan 0.000 0.507 22 G N 0.815 109.615 108.800 0.000 0.000 2.679 22 G HA2 0.359 4.329 3.960 0.017 0.000 0.212 22 G HA3 0.359 4.329 3.960 0.017 0.000 0.212 22 G C 1.081 175.981 174.900 0.000 0.000 1.137 22 G CA 0.146 45.246 45.100 0.000 0.000 0.787 22 G HN 1.442 nan 8.290 nan 0.000 0.534 23 G N -0.976 107.825 108.800 0.001 0.000 2.144 23 G HA2 -0.120 3.850 3.960 0.017 0.000 0.218 23 G HA3 -0.120 3.850 3.960 0.017 0.000 0.218 23 G C 0.328 175.230 174.900 0.003 0.000 0.988 23 G CA 0.739 45.840 45.100 0.002 0.000 0.659 23 G HN 1.374 nan 8.290 nan 0.000 0.522 24 T N -2.356 112.200 114.554 0.002 0.000 2.912 24 T HA 0.701 5.061 4.350 0.017 0.000 0.288 24 T C -0.134 174.567 174.700 0.003 0.000 1.030 24 T CA -0.362 61.738 62.100 0.001 0.000 1.020 24 T CB 2.792 71.658 68.868 -0.003 0.000 1.056 24 T HN 0.723 nan 8.240 nan 0.000 0.480 25 c N 2.299 120.900 118.600 0.001 0.000 2.498 25 c HA 0.894 5.474 4.570 0.017 0.000 0.316 25 c C 0.454 174.533 174.090 -0.019 0.000 1.209 25 c CA -0.725 55.605 56.329 0.001 0.000 1.518 25 c CB 1.175 43.695 42.510 0.015 0.000 2.147 25 c HN 1.177 nan 8.230 nan 0.000 0.483 26 T N 0.024 114.553 114.554 -0.042 0.000 2.863 26 T HA 0.511 4.871 4.350 0.017 0.000 0.285 26 T C -0.830 173.791 174.700 -0.132 0.000 1.009 26 T CA -0.508 61.548 62.100 -0.073 0.000 0.989 26 T CB 1.423 70.245 68.868 -0.076 0.000 1.004 26 T HN 0.758 nan 8.240 nan 0.000 0.455 27 Q N 1.479 121.203 119.800 -0.127 0.000 2.352 27 Q HA 0.252 4.602 4.340 0.017 0.000 0.260 27 Q C -0.622 175.206 176.000 -0.286 0.000 0.976 27 Q CA -0.295 55.401 55.803 -0.177 0.000 0.881 27 Q CB 0.500 29.177 28.738 -0.101 0.000 1.235 27 Q HN 0.549 nan 8.270 nan 0.000 0.419 28 Q N 1.994 121.501 119.800 -0.487 0.000 2.377 28 Q HA 0.421 4.771 4.340 0.017 0.000 0.271 28 Q C -1.198 174.573 176.000 -0.381 0.000 1.077 28 Q CA -0.523 54.913 55.803 -0.612 0.000 0.820 28 Q CB 2.358 30.243 28.738 -1.421 0.000 1.347 28 Q HN 0.600 nan 8.270 nan 0.000 0.444 29 T N 1.060 115.522 114.554 -0.154 0.000 2.770 29 T HA 0.703 5.063 4.350 0.017 0.000 0.283 29 T C 0.015 174.790 174.700 0.124 0.000 0.988 29 T CA -0.501 61.603 62.100 0.007 0.000 0.957 29 T CB 1.380 70.252 68.868 0.007 0.000 0.930 29 T HN 0.683 nan 8.240 nan 0.000 0.443 30 G N 1.626 110.575 108.800 0.248 0.000 3.217 30 G HA2 0.858 4.828 3.960 0.017 0.000 0.213 30 G HA3 0.858 4.828 3.960 0.017 0.000 0.213 30 G C -0.783 174.204 174.900 0.145 0.000 1.294 30 G CA -0.642 44.611 45.100 0.255 0.000 0.987 30 G HN 0.977 nan 8.290 nan 0.000 0.584 31 S N -2.406 113.350 115.700 0.093 0.000 2.636 31 S HA 0.681 5.161 4.470 0.017 0.000 0.268 31 S C -1.052 173.527 174.600 -0.036 0.000 1.159 31 S CA -0.129 58.088 58.200 0.029 0.000 0.815 31 S CB 1.193 64.421 63.200 0.047 0.000 1.130 31 S HN 1.856 nan 8.310 nan 0.000 0.471 32 V N -1.443 118.412 119.914 -0.098 0.000 2.864 32 V HA 0.999 5.129 4.120 0.017 0.000 0.314 32 V C -0.501 175.481 176.094 -0.186 0.000 1.073 32 V CA -0.800 61.419 62.300 -0.135 0.000 0.956 32 V CB 1.278 33.026 31.823 -0.125 0.000 1.023 32 V HN 1.252 nan 8.190 nan 0.000 0.435 33 V N 4.607 124.455 119.914 -0.110 0.000 2.735 33 V HA 0.628 4.758 4.120 0.017 0.000 0.310 33 V C -0.416 175.713 176.094 0.058 0.000 1.061 33 V CA -0.764 61.554 62.300 0.029 0.000 0.913 33 V CB 1.798 33.557 31.823 -0.107 0.000 1.005 33 V HN 1.037 nan 8.190 nan 0.000 0.428 34 I N 4.168 124.819 120.570 0.134 0.000 2.519 34 I HA 0.336 4.516 4.170 0.017 0.000 0.287 34 I C 0.463 176.528 176.117 -0.087 0.000 1.047 34 I CA -0.132 61.055 61.300 -0.189 0.000 1.381 34 I CB 1.246 38.962 38.000 -0.474 0.000 1.417 34 I HN 0.919 nan 8.210 nan 0.000 0.540 35 D N 4.735 125.026 120.400 -0.180 0.000 2.449 35 D HA 0.071 4.721 4.640 0.017 0.000 0.236 35 D C 1.109 177.579 176.300 0.283 0.000 1.149 35 D CA 0.769 54.863 54.000 0.156 0.000 0.878 35 D CB 1.377 42.234 40.800 0.095 0.000 1.198 35 D HN 0.638 nan 8.370 nan 0.000 0.446 36 A N 3.515 126.523 122.820 0.313 0.000 1.986 36 A HA -0.275 4.055 4.320 0.017 0.000 0.220 36 A C 1.973 179.718 177.584 0.268 0.000 1.171 36 A CA 1.627 53.830 52.037 0.276 0.000 0.640 36 A CB -0.663 18.489 19.000 0.254 0.000 0.811 36 A HN 0.740 nan 8.150 nan 0.000 0.451 37 N N -1.143 117.727 118.700 0.283 0.000 2.289 37 N HA -0.132 4.618 4.740 0.017 0.000 0.184 37 N C 1.291 176.806 175.510 0.009 0.000 1.016 37 N CA 1.041 54.142 53.050 0.085 0.000 0.872 37 N CB -0.205 38.247 38.487 -0.058 0.000 0.973 37 N HN 0.737 nan 8.380 nan 0.000 0.433 38 W N 1.109 122.420 121.300 0.019 0.000 2.905 38 W HA 0.124 4.792 4.660 0.014 0.000 0.251 38 W C 0.171 176.780 176.519 0.150 0.000 1.305 38 W CA -0.220 57.159 57.345 0.057 0.000 1.465 38 W CB 0.145 29.541 29.460 -0.106 0.000 1.122 38 W HN -0.021 nan 8.180 nan 0.000 0.659 39 R N -0.089 120.598 120.500 0.313 0.000 2.531 39 R HA 0.055 4.405 4.340 0.017 0.000 0.273 39 R C -0.359 176.158 176.300 0.362 0.000 1.070 39 R CA -0.813 55.485 56.100 0.330 0.000 1.112 39 R CB 0.586 31.045 30.300 0.265 0.000 1.049 39 R HN -0.238 nan 8.270 nan 0.000 0.508 40 W N 2.792 124.209 121.300 0.195 0.000 2.381 40 W HA 0.056 4.726 4.660 0.017 0.000 0.321 40 W C -0.840 175.783 176.519 0.174 0.000 1.407 40 W CA -0.030 57.424 57.345 0.182 0.000 1.274 40 W CB 0.465 30.046 29.460 0.201 0.000 1.310 40 W HN 0.351 nan 8.180 nan 0.000 0.551 41 T N 7.702 122.359 114.554 0.171 0.000 2.772 41 T HA 0.382 4.741 4.350 0.017 0.000 0.288 41 T C -0.773 173.846 174.700 -0.135 0.000 0.994 41 T CA -0.228 61.849 62.100 -0.040 0.000 0.951 41 T CB 0.650 69.606 68.868 0.148 0.000 0.933 41 T HN 0.488 nan 8.240 nan 0.000 0.447 42 H N 0.553 119.379 119.070 -0.406 0.000 2.941 42 H HA 0.815 5.381 4.556 0.017 0.000 0.344 42 H C -0.307 174.895 175.328 -0.209 0.000 1.235 42 H CA -1.351 54.487 56.048 -0.349 0.000 1.149 42 H CB 0.566 29.908 29.762 -0.700 0.000 1.885 42 H HN 0.637 nan 8.280 nan 0.000 0.558 43 A N 0.492 123.337 122.820 0.041 0.000 2.531 43 A HA 0.166 4.496 4.320 0.017 0.000 0.236 43 A C 1.555 179.127 177.584 -0.022 0.000 1.062 43 A CA 0.228 52.271 52.037 0.010 0.000 0.760 43 A CB -0.450 18.581 19.000 0.051 0.000 0.995 43 A HN 0.984 nan 8.150 nan 0.000 0.501 44 T N 0.096 114.602 114.554 -0.079 0.000 2.881 44 T HA -0.171 4.189 4.350 0.017 0.000 0.270 44 T C 1.051 175.739 174.700 -0.021 0.000 1.068 44 T CA 2.127 64.170 62.100 -0.095 0.000 1.131 44 T CB -0.418 68.396 68.868 -0.091 0.000 0.871 44 T HN 0.701 nan 8.240 nan 0.000 0.479 45 N N 0.762 119.465 118.700 0.006 0.000 2.254 45 N HA 0.215 4.965 4.740 0.017 0.000 0.190 45 N C 0.273 175.802 175.510 0.031 0.000 1.107 45 N CA 0.219 53.278 53.050 0.016 0.000 0.869 45 N CB 0.660 39.151 38.487 0.007 0.000 0.983 45 N HN 0.595 nan 8.380 nan 0.000 0.487 46 S N -1.704 114.027 115.700 0.052 0.000 2.840 46 S HA 0.348 4.828 4.470 0.017 0.000 0.307 46 S C 0.276 174.886 174.600 0.016 0.000 1.180 46 S CA -0.636 57.588 58.200 0.040 0.000 0.846 46 S CB 1.086 64.311 63.200 0.041 0.000 1.233 46 S HN 0.007 nan 8.310 nan 0.000 0.548 47 S N -0.521 115.179 115.700 0.000 0.000 2.572 47 S HA 0.242 4.722 4.470 0.017 0.000 0.228 47 S C 0.198 174.891 174.600 0.154 0.000 0.963 47 S CA -0.374 57.810 58.200 -0.027 0.000 0.939 47 S CB -0.679 62.608 63.200 0.144 0.000 0.804 47 S HN 0.693 nan 8.310 nan 0.000 0.480 48 T N 4.597 119.223 114.554 0.119 0.000 2.817 48 T HA 0.195 4.555 4.350 0.017 0.000 0.295 48 T C 0.027 174.839 174.700 0.186 0.000 0.958 48 T CA -0.238 61.948 62.100 0.142 0.000 1.157 48 T CB -0.038 68.885 68.868 0.091 0.000 0.898 48 T HN 0.315 nan 8.240 nan 0.000 0.536 49 N N 1.700 120.545 118.700 0.243 0.000 2.492 49 N HA 0.070 4.820 4.740 0.017 0.000 0.262 49 N C 0.766 176.376 175.510 0.167 0.000 1.202 49 N CA -0.439 52.771 53.050 0.267 0.000 0.926 49 N CB 0.416 39.068 38.487 0.275 0.000 1.078 49 N HN 0.621 nan 8.380 nan 0.000 0.454 50 c N 0.964 119.667 118.600 0.171 0.000 2.533 50 c HA 0.131 4.711 4.570 0.017 0.000 0.272 50 c C 0.341 174.554 174.090 0.205 0.000 1.371 50 c CA 0.008 56.465 56.329 0.214 0.000 1.758 50 c CB -1.305 41.375 42.510 0.282 0.000 1.972 50 c HN 0.705 nan 8.230 nan 0.000 0.522 51 Y N 0.614 120.847 120.300 -0.111 0.000 2.433 51 Y HA 0.580 5.141 4.550 0.018 0.000 0.337 51 Y C -1.526 174.255 175.900 -0.198 0.000 1.026 51 Y CA -0.692 57.163 58.100 -0.408 0.000 1.037 51 Y CB 0.954 38.875 38.460 -0.899 0.000 1.245 51 Y HN 0.057 nan 8.280 nan 0.000 0.443 52 D N 3.553 123.574 120.400 -0.631 0.000 2.990 52 D HA 0.541 5.191 4.640 0.017 0.000 0.227 52 D C 0.398 176.372 176.300 -0.545 0.000 1.249 52 D CA 1.034 54.799 54.000 -0.392 0.000 0.891 52 D CB 1.863 42.570 40.800 -0.156 0.000 1.647 52 D HN 0.992 nan 8.370 nan 0.000 0.530 53 G N 3.841 112.421 108.800 -0.367 0.000 2.595 53 G HA2 -0.305 3.665 3.960 0.017 0.000 0.297 53 G HA3 -0.305 3.665 3.960 0.017 0.000 0.297 53 G C 0.372 175.045 174.900 -0.378 0.000 1.181 53 G CA 0.665 45.602 45.100 -0.273 0.000 0.963 53 G HN 0.948 nan 8.290 nan 0.000 0.541 54 N N 0.989 119.487 118.700 -0.337 0.000 2.377 54 N HA 0.381 5.131 4.740 0.017 0.000 0.259 54 N C -0.040 175.428 175.510 -0.070 0.000 1.332 54 N CA 0.938 53.912 53.050 -0.127 0.000 0.877 54 N CB 0.391 38.927 38.487 0.082 0.000 1.299 54 N HN 0.942 nan 8.380 nan 0.000 0.501 55 T N -2.306 111.929 114.554 -0.532 0.000 2.903 55 T HA 0.530 4.890 4.350 0.017 0.000 0.299 55 T C -0.968 173.414 174.700 -0.530 0.000 1.093 55 T CA -0.674 61.247 62.100 -0.298 0.000 1.002 55 T CB 1.264 70.075 68.868 -0.095 0.000 1.127 55 T HN 0.131 nan 8.240 nan 0.000 0.488 56 W N 0.941 122.078 121.300 -0.272 0.000 2.448 56 W HA 0.598 5.268 4.660 0.016 0.000 0.339 56 W C 0.888 177.337 176.519 -0.117 0.000 1.124 56 W CA -0.617 56.616 57.345 -0.187 0.000 1.262 56 W CB 1.150 30.473 29.460 -0.228 0.000 1.251 56 W HN 0.662 nan 8.180 nan 0.000 0.597 57 S N 1.388 117.210 115.700 0.202 0.000 2.481 57 S HA -0.004 4.476 4.470 0.017 0.000 0.282 57 S C 1.340 175.998 174.600 0.098 0.000 1.243 57 S CA 0.227 58.495 58.200 0.113 0.000 1.078 57 S CB 0.275 63.541 63.200 0.109 0.000 0.916 57 S HN 0.535 nan 8.310 nan 0.000 0.495 58 S N 3.500 119.237 115.700 0.061 0.000 2.447 58 S HA -0.126 4.354 4.470 0.017 0.000 0.233 58 S C 1.791 176.401 174.600 0.016 0.000 1.006 58 S CA 1.265 59.485 58.200 0.033 0.000 0.957 58 S CB -0.888 62.329 63.200 0.029 0.000 0.773 58 S HN 0.912 nan 8.310 nan 0.000 0.507 59 T N 0.646 115.214 114.554 0.024 0.000 2.901 59 T HA 0.249 4.609 4.350 0.017 0.000 0.252 59 T C 1.824 176.533 174.700 0.015 0.000 1.035 59 T CA 0.418 62.528 62.100 0.016 0.000 1.142 59 T CB -0.749 68.131 68.868 0.019 0.000 0.869 59 T HN 0.321 nan 8.240 nan 0.000 0.442 60 L N 0.320 121.562 121.223 0.033 0.000 2.156 60 L HA 0.162 4.512 4.340 0.017 0.000 0.208 60 L C 0.913 177.793 176.870 0.017 0.000 1.095 60 L CA 0.425 55.286 54.840 0.036 0.000 0.770 60 L CB -0.087 42.012 42.059 0.068 0.000 0.914 60 L HN 0.394 nan 8.230 nan 0.000 0.439 61 c N 0.347 118.951 118.600 0.007 0.000 3.273 61 c HA 0.259 4.839 4.570 0.017 0.000 0.227 61 c C -0.877 173.141 174.090 -0.121 0.000 1.409 61 c CA -0.957 55.323 56.329 -0.082 0.000 1.516 61 c CB 0.035 42.481 42.510 -0.108 0.000 1.853 61 c HN 0.236 nan 8.230 nan 0.000 0.472 62 P HA -0.023 nan 4.420 nan 0.000 0.225 62 P C 0.034 177.271 177.300 -0.105 0.000 1.156 62 P CA 1.643 64.698 63.100 -0.075 0.000 0.787 62 P CB 0.533 32.206 31.700 -0.046 0.000 0.802 63 D N -2.470 117.848 120.400 -0.137 0.000 2.615 63 D HA 0.089 4.739 4.640 0.017 0.000 0.267 63 D C 0.141 176.318 176.300 -0.205 0.000 1.236 63 D CA -0.627 53.283 54.000 -0.149 0.000 0.839 63 D CB 0.301 41.045 40.800 -0.093 0.000 1.380 63 D HN -0.356 nan 8.370 nan 0.000 0.433 64 N N 0.510 119.086 118.700 -0.206 0.000 2.069 64 N HA -0.160 4.590 4.740 0.017 0.000 0.191 64 N C 1.358 176.772 175.510 -0.159 0.000 1.031 64 N CA 1.480 54.390 53.050 -0.235 0.000 0.852 64 N CB -0.119 38.250 38.487 -0.196 0.000 1.018 64 N HN 0.500 nan 8.380 nan 0.000 0.423 65 E N -0.039 120.096 120.200 -0.109 0.000 2.028 65 E HA -0.083 4.277 4.350 0.017 0.000 0.191 65 E C 1.780 178.347 176.600 -0.055 0.000 0.988 65 E CA 1.367 57.726 56.400 -0.069 0.000 0.799 65 E CB -0.258 29.409 29.700 -0.055 0.000 0.755 65 E HN 0.349 nan 8.360 nan 0.000 0.447 66 T N 1.056 115.571 114.554 -0.064 0.000 2.746 66 T HA -0.202 4.158 4.350 0.017 0.000 0.267 66 T C 2.093 176.767 174.700 -0.044 0.000 1.039 66 T CA 1.122 63.192 62.100 -0.050 0.000 1.142 66 T CB -0.565 68.271 68.868 -0.052 0.000 0.866 66 T HN 0.292 nan 8.240 nan 0.000 0.444 67 c N 1.682 120.234 118.600 -0.080 0.000 2.432 67 c HA 0.052 4.632 4.570 0.017 0.000 0.277 67 c C 3.150 177.271 174.090 0.052 0.000 1.249 67 c CA 0.812 57.102 56.329 -0.063 0.000 1.725 67 c CB -1.457 40.899 42.510 -0.258 0.000 2.028 67 c HN 0.607 nan 8.230 nan 0.000 0.477 68 A N 0.507 123.367 122.820 0.066 0.000 1.972 68 A HA -0.123 4.207 4.320 0.017 0.000 0.219 68 A C 2.180 179.779 177.584 0.025 0.000 1.169 68 A CA 1.681 53.800 52.037 0.138 0.000 0.635 68 A CB -0.389 18.676 19.000 0.109 0.000 0.810 68 A HN 0.676 nan 8.150 nan 0.000 0.446 69 K N 0.222 120.621 120.400 -0.002 0.000 2.103 69 K HA -0.039 4.291 4.320 0.017 0.000 0.204 69 K C 1.127 177.710 176.600 -0.028 0.000 1.052 69 K CA 1.151 57.424 56.287 -0.023 0.000 0.945 69 K CB -0.518 31.968 32.500 -0.023 0.000 0.722 69 K HN 0.434 nan 8.250 nan 0.000 0.443 70 N N 0.076 118.769 118.700 -0.012 0.000 2.446 70 N HA -0.028 4.722 4.740 0.017 0.000 0.179 70 N C 0.317 175.813 175.510 -0.024 0.000 1.054 70 N CA 0.288 53.330 53.050 -0.013 0.000 0.905 70 N CB 0.032 38.522 38.487 0.005 0.000 0.973 70 N HN 0.088 nan 8.380 nan 0.000 0.448 71 c N 0.517 119.111 118.600 -0.011 0.000 2.454 71 c HA 0.760 5.340 4.570 0.017 0.000 0.336 71 c C 0.620 174.596 174.090 -0.190 0.000 1.189 71 c CA -1.474 54.829 56.329 -0.044 0.000 1.877 71 c CB 0.847 43.448 42.510 0.152 0.000 2.348 71 c HN 0.528 nan 8.230 nan 0.000 0.508 72 c N 1.046 119.438 118.600 -0.345 0.000 2.994 72 c HA 0.852 5.432 4.570 0.017 0.000 0.304 72 c C -0.954 172.810 174.090 -0.544 0.000 1.273 72 c CA -0.909 55.136 56.329 -0.474 0.000 1.537 72 c CB -0.221 41.991 42.510 -0.496 0.000 2.001 72 c HN 0.868 nan 8.230 nan 0.000 0.471 73 L N 2.122 123.043 121.223 -0.503 0.000 2.325 73 L HA 0.546 4.896 4.340 0.017 0.000 0.279 73 L C 0.161 176.831 176.870 -0.335 0.000 1.054 73 L CA 0.232 54.863 54.840 -0.347 0.000 0.804 73 L CB 1.024 42.929 42.059 -0.256 0.000 1.200 73 L HN 0.755 nan 8.230 nan 0.000 0.436 74 D N 0.399 120.766 120.400 -0.056 0.000 2.506 74 D HA 0.382 5.032 4.640 0.017 0.000 0.254 74 D C -0.154 176.374 176.300 0.379 0.000 1.089 74 D CA -0.295 53.785 54.000 0.133 0.000 1.050 74 D CB 2.267 43.222 40.800 0.259 0.000 1.221 74 D HN 0.571 nan 8.370 nan 0.000 0.589 75 G N -0.797 108.247 108.800 0.406 0.000 2.667 75 G HA2 0.463 4.433 3.960 0.017 0.000 0.250 75 G HA3 0.463 4.433 3.960 0.017 0.000 0.250 75 G C -0.810 174.253 174.900 0.272 0.000 1.212 75 G CA -0.024 45.278 45.100 0.338 0.000 0.874 75 G HN 0.418 nan 8.290 nan 0.000 0.561 76 A N -0.443 122.472 122.820 0.159 0.000 2.343 76 A HA 0.737 5.067 4.320 0.017 0.000 0.316 76 A C 0.171 177.802 177.584 0.077 0.000 1.104 76 A CA -0.104 51.990 52.037 0.096 0.000 0.768 76 A CB 1.590 20.376 19.000 -0.357 0.000 1.213 76 A HN 1.793 nan 8.150 nan 0.000 0.456 77 A N 2.230 125.147 122.820 0.162 0.000 2.650 77 A HA 0.515 4.845 4.320 0.017 0.000 0.320 77 A C 0.380 178.079 177.584 0.193 0.000 1.466 77 A CA -0.401 51.727 52.037 0.150 0.000 1.099 77 A CB -0.784 18.262 19.000 0.076 0.000 1.136 77 A HN 0.826 nan 8.150 nan 0.000 0.532 78 Y N 2.065 122.510 120.300 0.241 0.000 2.040 78 Y HA -0.353 4.206 4.550 0.016 0.000 0.275 78 Y C 2.628 178.644 175.900 0.193 0.000 1.171 78 Y CA 2.887 61.134 58.100 0.244 0.000 1.123 78 Y CB -0.388 38.151 38.460 0.131 0.000 0.963 78 Y HN 0.657 nan 8.280 nan 0.000 0.493 79 A N -0.551 122.433 122.820 0.273 0.000 1.872 79 A HA -0.157 4.173 4.320 0.017 0.000 0.214 79 A C 2.420 180.062 177.584 0.097 0.000 1.187 79 A CA 1.913 54.050 52.037 0.166 0.000 0.614 79 A CB -1.174 17.902 19.000 0.128 0.000 0.826 79 A HN 0.489 nan 8.150 nan 0.000 0.442 80 S N -1.272 114.466 115.700 0.064 0.000 2.387 80 S HA -0.090 4.390 4.470 0.017 0.000 0.226 80 S C 1.698 176.255 174.600 -0.071 0.000 1.026 80 S CA 1.858 60.060 58.200 0.004 0.000 0.972 80 S CB -0.697 62.504 63.200 0.001 0.000 0.814 80 S HN 0.443 nan 8.310 nan 0.000 0.477 81 T N -0.036 114.428 114.554 -0.150 0.000 3.033 81 T HA 0.255 4.615 4.350 0.017 0.000 0.248 81 T C 0.731 175.108 174.700 -0.538 0.000 1.040 81 T CA 0.519 62.368 62.100 -0.419 0.000 1.133 81 T CB -0.206 68.257 68.868 -0.675 0.000 0.895 81 T HN 0.527 nan 8.240 nan 0.000 0.465 82 Y N 0.529 120.843 120.300 0.024 0.000 2.444 82 Y HA 0.451 5.011 4.550 0.018 0.000 0.249 82 Y C 1.788 177.723 175.900 0.058 0.000 1.134 82 Y CA -0.546 57.576 58.100 0.035 0.000 1.261 82 Y CB 0.104 38.542 38.460 -0.038 0.000 1.143 82 Y HN 0.262 nan 8.280 nan 0.000 0.523 83 G N 1.029 109.925 108.800 0.160 0.000 2.198 83 G HA2 -0.257 3.713 3.960 0.017 0.000 0.260 83 G HA3 -0.257 3.713 3.960 0.017 0.000 0.260 83 G C -0.364 174.630 174.900 0.157 0.000 1.025 83 G CA 0.361 45.542 45.100 0.135 0.000 0.769 83 G HN 0.146 nan 8.290 nan 0.000 0.507 84 V N 1.370 121.405 119.914 0.203 0.000 2.370 84 V HA 0.792 4.922 4.120 0.017 0.000 0.279 84 V C 0.634 176.829 176.094 0.169 0.000 1.029 84 V CA 0.321 62.736 62.300 0.192 0.000 0.870 84 V CB 1.509 33.489 31.823 0.262 0.000 0.984 84 V HN 0.831 nan 8.190 nan 0.000 0.451 85 T N 0.818 115.441 114.554 0.114 0.000 2.896 85 T HA 0.843 5.203 4.350 0.017 0.000 0.297 85 T C -0.402 174.336 174.700 0.064 0.000 1.108 85 T CA -0.629 61.522 62.100 0.085 0.000 1.004 85 T CB 2.201 71.115 68.868 0.076 0.000 1.159 85 T HN 0.728 nan 8.240 nan 0.000 0.499 86 T N -1.931 112.651 114.554 0.047 0.000 2.906 86 T HA 0.781 5.141 4.350 0.017 0.000 0.295 86 T C -0.731 173.995 174.700 0.045 0.000 1.075 86 T CA -0.910 61.218 62.100 0.046 0.000 1.005 86 T CB 1.821 70.708 68.868 0.031 0.000 1.136 86 T HN 0.951 nan 8.240 nan 0.000 0.498 87 S N 0.613 116.343 115.700 0.050 0.000 2.680 87 S HA 0.598 5.078 4.470 0.017 0.000 0.262 87 S C 0.788 175.418 174.600 0.051 0.000 1.138 87 S CA 0.587 58.814 58.200 0.045 0.000 1.072 87 S CB 0.112 63.338 63.200 0.042 0.000 1.097 87 S HN 2.144 nan 8.310 nan 0.000 0.468 88 G N 5.505 114.334 108.800 0.048 0.000 2.602 88 G HA2 -0.390 3.580 3.960 0.017 0.000 0.310 88 G HA3 -0.390 3.580 3.960 0.017 0.000 0.310 88 G C 0.429 175.373 174.900 0.074 0.000 1.183 88 G CA 0.913 46.045 45.100 0.054 0.000 0.979 88 G HN 1.414 nan 8.290 nan 0.000 0.545 89 N N 0.642 119.391 118.700 0.082 0.000 2.314 89 N HA 0.403 5.153 4.740 0.017 0.000 0.200 89 N C 0.388 175.969 175.510 0.117 0.000 1.135 89 N CA 1.111 54.229 53.050 0.112 0.000 0.835 89 N CB 0.814 39.369 38.487 0.114 0.000 0.989 89 N HN 0.678 nan 8.380 nan 0.000 0.478 90 S N 0.187 115.946 115.700 0.099 0.000 2.472 90 S HA 0.641 5.121 4.470 0.017 0.000 0.303 90 S C -1.262 173.398 174.600 0.100 0.000 1.099 90 S CA -0.885 57.377 58.200 0.103 0.000 1.077 90 S CB 0.527 63.775 63.200 0.079 0.000 1.031 90 S HN 0.320 nan 8.310 nan 0.000 0.487 91 L N 4.110 125.409 121.223 0.127 0.000 2.381 91 L HA 0.736 5.086 4.340 0.017 0.000 0.274 91 L C -0.894 176.049 176.870 0.121 0.000 0.988 91 L CA 0.124 55.038 54.840 0.123 0.000 0.824 91 L CB 2.003 44.151 42.059 0.149 0.000 1.263 91 L HN 0.573 nan 8.230 nan 0.000 0.410 92 S N 5.705 121.458 115.700 0.089 0.000 2.482 92 S HA 0.726 5.206 4.470 0.017 0.000 0.303 92 S C -0.574 174.079 174.600 0.088 0.000 1.091 92 S CA -0.412 57.827 58.200 0.066 0.000 1.057 92 S CB 1.305 64.535 63.200 0.050 0.000 1.031 92 S HN 0.538 nan 8.310 nan 0.000 0.485 93 I N 2.325 122.946 120.570 0.085 0.000 2.410 93 I HA 0.429 4.609 4.170 0.017 0.000 0.286 93 I C 0.753 176.944 176.117 0.124 0.000 1.009 93 I CA -0.659 60.711 61.300 0.116 0.000 1.111 93 I CB 1.590 39.674 38.000 0.140 0.000 1.262 93 I HN 0.699 nan 8.210 nan 0.000 0.443 94 G N 3.347 112.231 108.800 0.141 0.000 2.476 94 G HA2 0.202 4.172 3.960 0.017 0.000 0.269 94 G HA3 0.202 4.172 3.960 0.017 0.000 0.269 94 G C 0.084 175.134 174.900 0.250 0.000 1.195 94 G CA -0.185 45.011 45.100 0.161 0.000 0.843 94 G HN 0.535 nan 8.290 nan 0.000 0.545 95 F N 1.535 121.533 119.950 0.080 0.000 2.059 95 F HA 0.184 4.720 4.527 0.016 0.000 0.289 95 F C 1.047 176.920 175.800 0.121 0.000 1.128 95 F CA 0.585 58.646 58.000 0.101 0.000 1.181 95 F CB -0.072 38.971 39.000 0.072 0.000 1.012 95 F HN 0.161 nan 8.300 nan 0.000 0.473 96 V N 1.222 121.083 119.914 -0.088 0.000 2.448 96 V HA 0.378 4.508 4.120 0.017 0.000 0.295 96 V C -0.596 175.473 176.094 -0.040 0.000 1.025 96 V CA -0.559 61.626 62.300 -0.191 0.000 0.859 96 V CB 1.360 33.017 31.823 -0.277 0.000 0.988 96 V HN 0.199 nan 8.190 nan 0.000 0.431 97 T N 4.649 119.186 114.554 -0.027 0.000 2.809 97 T HA 0.397 4.757 4.350 0.017 0.000 0.284 97 T C -0.646 174.026 174.700 -0.047 0.000 0.992 97 T CA -0.534 61.555 62.100 -0.017 0.000 0.957 97 T CB 1.456 70.323 68.868 -0.002 0.000 0.942 97 T HN 0.485 nan 8.240 nan 0.000 0.439 98 Q N 2.528 122.303 119.800 -0.042 0.000 2.340 98 Q HA 0.546 4.896 4.340 0.017 0.000 0.259 98 Q C 0.185 176.150 176.000 -0.058 0.000 0.964 98 Q CA -0.235 55.538 55.803 -0.050 0.000 0.900 98 Q CB 1.786 30.501 28.738 -0.037 0.000 1.228 98 Q HN 0.935 nan 8.270 nan 0.000 0.449 99 S N 1.049 116.702 115.700 -0.078 0.000 4.353 99 S HA 0.531 5.011 4.470 0.017 0.000 0.229 99 S C 1.060 175.609 174.600 -0.085 0.000 1.098 99 S CA 0.150 58.300 58.200 -0.084 0.000 1.695 99 S CB -0.079 63.052 63.200 -0.115 0.000 1.097 99 S HN 0.412 nan 8.310 nan 0.000 0.745 100 A N 0.114 122.872 122.820 -0.104 0.000 2.015 100 A HA 0.270 4.600 4.320 0.017 0.000 0.219 100 A C 1.093 178.616 177.584 -0.101 0.000 1.163 100 A CA 1.313 53.287 52.037 -0.104 0.000 0.646 100 A CB -0.622 18.299 19.000 -0.132 0.000 0.806 100 A HN 0.622 nan 8.150 nan 0.000 0.448 101 Q N -1.679 118.056 119.800 -0.109 0.000 2.496 101 Q HA 0.530 4.880 4.340 0.017 0.000 0.286 101 Q C -0.717 175.233 176.000 -0.083 0.000 1.103 101 Q CA -0.614 55.132 55.803 -0.095 0.000 0.813 101 Q CB 1.579 30.254 28.738 -0.104 0.000 1.444 101 Q HN 0.278 nan 8.270 nan 0.000 0.443 102 K N 1.453 121.814 120.400 -0.064 0.000 2.211 102 K HA 0.425 4.755 4.320 0.017 0.000 0.275 102 K C -1.147 175.430 176.600 -0.039 0.000 1.024 102 K CA -0.330 55.924 56.287 -0.054 0.000 0.887 102 K CB 0.659 33.132 32.500 -0.045 0.000 1.084 102 K HN 0.574 nan 8.250 nan 0.000 0.463 103 N N 2.649 121.332 118.700 -0.028 0.000 2.321 103 N HA 0.309 5.059 4.740 0.017 0.000 0.299 103 N C -1.842 173.704 175.510 0.060 0.000 1.048 103 N CA -0.672 52.407 53.050 0.049 0.000 0.836 103 N CB 1.758 40.281 38.487 0.061 0.000 1.269 103 N HN 0.204 nan 8.380 nan 0.000 0.486 104 V N 3.122 123.117 119.914 0.135 0.000 2.378 104 V HA 0.763 4.893 4.120 0.017 0.000 0.288 104 V C 0.972 177.298 176.094 0.387 0.000 1.016 104 V CA 0.131 62.488 62.300 0.095 0.000 0.840 104 V CB 0.219 32.063 31.823 0.035 0.000 0.994 104 V HN 1.046 nan 8.190 nan 0.000 0.431 105 G N 4.244 113.274 108.800 0.383 0.000 2.645 105 G HA2 0.315 4.285 3.960 0.017 0.000 0.246 105 G HA3 0.315 4.285 3.960 0.017 0.000 0.246 105 G C -0.097 175.011 174.900 0.348 0.000 1.322 105 G CA 0.143 45.525 45.100 0.468 0.000 0.898 105 G HN 2.176 nan 8.290 nan 0.000 0.573 106 A N -1.075 121.764 122.820 0.031 0.000 2.583 106 A HA 0.853 5.183 4.320 0.017 0.000 0.292 106 A C -0.447 176.664 177.584 -0.788 0.000 1.045 106 A CA 0.686 52.268 52.037 -0.759 0.000 0.672 106 A CB 1.458 20.200 19.000 -0.430 0.000 1.283 106 A HN 1.675 nan 8.150 nan 0.000 0.419 107 R N 1.086 120.805 120.500 -1.302 0.000 2.476 107 R HA 0.746 5.096 4.340 0.017 0.000 0.305 107 R C -1.848 173.899 176.300 -0.922 0.000 0.965 107 R CA -0.444 55.138 56.100 -0.865 0.000 0.867 107 R CB 0.910 30.750 30.300 -0.767 0.000 1.176 107 R HN 0.695 nan 8.270 nan 0.000 0.447 108 L N 4.010 124.751 121.223 -0.803 0.000 2.341 108 L HA 0.603 4.953 4.340 0.017 0.000 0.267 108 L C -1.248 175.068 176.870 -0.924 0.000 1.009 108 L CA -1.102 53.283 54.840 -0.758 0.000 0.819 108 L CB 1.817 43.649 42.059 -0.378 0.000 1.323 108 L HN 0.531 nan 8.230 nan 0.000 0.425 109 Y N 1.076 121.232 120.300 -0.241 0.000 2.485 109 Y HA 0.532 5.093 4.550 0.019 0.000 0.345 109 Y C -0.371 175.416 175.900 -0.188 0.000 0.998 109 Y CA -0.989 56.934 58.100 -0.294 0.000 1.059 109 Y CB 1.791 40.011 38.460 -0.401 0.000 1.234 109 Y HN 0.279 nan 8.280 nan 0.000 0.461 110 L N 3.908 125.102 121.223 -0.048 0.000 2.331 110 L HA 0.462 4.812 4.340 0.017 0.000 0.278 110 L C -0.670 176.245 176.870 0.074 0.000 1.106 110 L CA -0.082 54.739 54.840 -0.032 0.000 0.824 110 L CB 0.216 42.214 42.059 -0.102 0.000 1.142 110 L HN 0.616 nan 8.230 nan 0.000 0.443 111 M N 4.260 123.897 119.600 0.061 0.000 2.423 111 M HA 0.404 4.894 4.480 0.017 0.000 0.335 111 M C 0.922 177.265 176.300 0.071 0.000 1.177 111 M CA -0.368 54.974 55.300 0.069 0.000 1.038 111 M CB 1.788 34.360 32.600 -0.047 0.000 1.641 111 M HN 0.787 nan 8.290 nan 0.000 0.455 112 A N 1.430 124.282 122.820 0.053 0.000 1.943 112 A HA 0.134 4.464 4.320 0.017 0.000 0.213 112 A C 0.894 178.506 177.584 0.046 0.000 1.181 112 A CA 1.252 53.325 52.037 0.059 0.000 0.653 112 A CB 0.058 19.072 19.000 0.023 0.000 0.833 112 A HN 0.849 nan 8.150 nan 0.000 0.451 113 S N -2.576 113.133 115.700 0.016 0.000 2.705 113 S HA 0.350 4.830 4.470 0.017 0.000 0.280 113 S C -0.184 174.426 174.600 0.018 0.000 1.174 113 S CA -0.150 58.061 58.200 0.019 0.000 0.823 113 S CB 0.521 63.724 63.200 0.004 0.000 1.162 113 S HN 0.097 nan 8.310 nan 0.000 0.487 114 D N 1.041 121.473 120.400 0.054 0.000 2.263 114 D HA -0.034 4.616 4.640 0.017 0.000 0.208 114 D C 1.269 177.617 176.300 0.080 0.000 0.971 114 D CA 2.004 56.080 54.000 0.128 0.000 0.867 114 D CB -0.033 40.823 40.800 0.093 0.000 0.929 114 D HN 0.792 nan 8.370 nan 0.000 0.492 115 T N -2.999 111.549 114.554 -0.010 0.000 3.091 115 T HA 0.126 4.486 4.350 0.017 0.000 0.277 115 T C 0.588 175.190 174.700 -0.164 0.000 0.996 115 T CA -0.358 61.705 62.100 -0.061 0.000 0.897 115 T CB 0.655 69.505 68.868 -0.029 0.000 1.109 115 T HN 0.001 nan 8.240 nan 0.000 0.534 116 T N -0.483 113.962 114.554 -0.182 0.000 2.900 116 T HA 0.673 5.033 4.350 0.017 0.000 0.303 116 T C -1.393 173.186 174.700 -0.203 0.000 1.142 116 T CA -0.816 61.142 62.100 -0.238 0.000 1.007 116 T CB 1.385 70.186 68.868 -0.111 0.000 1.156 116 T HN 0.056 nan 8.240 nan 0.000 0.490 117 Y N 0.932 121.196 120.300 -0.060 0.000 2.301 117 Y HA 0.559 5.118 4.550 0.015 0.000 0.325 117 Y C 0.791 176.651 175.900 -0.067 0.000 1.203 117 Y CA -0.871 57.188 58.100 -0.068 0.000 1.255 117 Y CB 0.895 39.302 38.460 -0.089 0.000 1.232 117 Y HN 0.691 nan 8.280 nan 0.000 0.501 118 Q N 2.644 122.511 119.800 0.112 0.000 2.296 118 Q HA 0.163 4.513 4.340 0.017 0.000 0.262 118 Q C -1.075 174.879 176.000 -0.077 0.000 0.981 118 Q CA -0.016 55.754 55.803 -0.055 0.000 0.905 118 Q CB 0.447 29.103 28.738 -0.136 0.000 1.186 118 Q HN 0.465 nan 8.270 nan 0.000 0.399 119 E N 3.555 123.661 120.200 -0.156 0.000 2.204 119 E HA 0.360 4.720 4.350 0.017 0.000 0.276 119 E C -0.940 175.501 176.600 -0.266 0.000 0.974 119 E CA -0.390 55.959 56.400 -0.084 0.000 0.815 119 E CB 0.994 30.666 29.700 -0.047 0.000 1.119 119 E HN 0.496 nan 8.360 nan 0.000 0.393 120 F N 0.082 119.924 119.950 -0.180 0.000 2.520 120 F HA 0.271 4.806 4.527 0.015 0.000 0.322 120 F C 0.510 176.150 175.800 -0.266 0.000 1.103 120 F CA -0.654 57.142 58.000 -0.339 0.000 0.926 120 F CB 2.030 40.657 39.000 -0.623 0.000 1.154 120 F HN 0.025 nan 8.300 nan 0.000 0.453 121 T N 4.747 119.338 114.554 0.062 0.000 2.770 121 T HA 0.349 4.709 4.350 0.017 0.000 0.297 121 T C 1.263 176.029 174.700 0.110 0.000 0.997 121 T CA -0.369 61.751 62.100 0.033 0.000 0.949 121 T CB 0.562 69.469 68.868 0.065 0.000 0.941 121 T HN 0.493 nan 8.240 nan 0.000 0.457 122 L N 2.541 123.676 121.223 -0.147 0.000 2.131 122 L HA 0.183 4.533 4.340 0.017 0.000 0.206 122 L C 1.056 177.872 176.870 -0.090 0.000 1.087 122 L CA 0.227 54.917 54.840 -0.250 0.000 0.767 122 L CB -0.218 41.256 42.059 -0.975 0.000 0.917 122 L HN 0.444 nan 8.230 nan 0.000 0.441 123 L N 1.386 122.569 121.223 -0.066 0.000 2.584 123 L HA 0.146 4.496 4.340 0.017 0.000 0.272 123 L C 1.119 178.042 176.870 0.089 0.000 1.195 123 L CA 1.316 56.188 54.840 0.053 0.000 0.920 123 L CB 0.204 42.276 42.059 0.021 0.000 1.173 123 L HN 0.356 nan 8.230 nan 0.000 0.489 124 G N 2.413 111.293 108.800 0.133 0.000 2.176 124 G HA2 -0.265 3.705 3.960 0.017 0.000 0.253 124 G HA3 -0.265 3.705 3.960 0.017 0.000 0.253 124 G C 0.418 175.363 174.900 0.074 0.000 0.979 124 G CA 0.225 45.381 45.100 0.093 0.000 0.641 124 G HN 0.659 nan 8.290 nan 0.000 0.530 125 N N 0.372 119.138 118.700 0.110 0.000 2.531 125 N HA 0.611 5.361 4.740 0.017 0.000 0.290 125 N C -0.416 175.204 175.510 0.183 0.000 1.257 125 N CA -0.042 53.018 53.050 0.017 0.000 0.863 125 N CB 1.510 39.884 38.487 -0.188 0.000 1.320 125 N HN 0.704 nan 8.380 nan 0.000 0.538 126 E N -0.471 119.777 120.200 0.080 0.000 2.343 126 E HA 0.519 4.879 4.350 0.017 0.000 0.270 126 E C -1.657 175.144 176.600 0.335 0.000 0.895 126 E CA -0.720 55.818 56.400 0.230 0.000 0.767 126 E CB 2.169 31.931 29.700 0.103 0.000 1.248 126 E HN 0.348 nan 8.360 nan 0.000 0.440 127 F N 1.508 121.636 119.950 0.297 0.000 2.507 127 F HA 0.532 5.071 4.527 0.020 0.000 0.325 127 F C -0.948 174.995 175.800 0.239 0.000 1.116 127 F CA -0.447 57.770 58.000 0.362 0.000 0.930 127 F CB 2.248 41.507 39.000 0.432 0.000 1.146 127 F HN 0.513 nan 8.300 nan 0.000 0.447 128 S N 6.226 121.756 115.700 -0.284 0.000 2.526 128 S HA 0.874 5.354 4.470 0.017 0.000 0.293 128 S C -1.399 173.090 174.600 -0.186 0.000 1.092 128 S CA -0.369 57.722 58.200 -0.182 0.000 0.980 128 S CB 0.916 64.034 63.200 -0.138 0.000 1.048 128 S HN 0.660 nan 8.310 nan 0.000 0.483 129 F N 0.600 120.418 119.950 -0.220 0.000 2.693 129 F HA 0.705 5.243 4.527 0.017 0.000 0.309 129 F C -1.471 174.282 175.800 -0.080 0.000 1.129 129 F CA -1.084 56.836 58.000 -0.134 0.000 0.948 129 F CB 0.556 39.526 39.000 -0.051 0.000 1.315 129 F HN 0.299 nan 8.300 nan 0.000 0.447 130 D N 1.439 121.876 120.400 0.062 0.000 2.181 130 D HA 0.639 5.289 4.640 0.017 0.000 0.248 130 D C -1.139 175.234 176.300 0.122 0.000 1.020 130 D CA -0.336 53.646 54.000 -0.031 0.000 0.891 130 D CB 2.393 43.205 40.800 0.021 0.000 1.187 130 D HN 0.658 nan 8.370 nan 0.000 0.443 131 V N 1.134 121.049 119.914 0.003 0.000 2.932 131 V HA 0.345 4.475 4.120 0.017 0.000 0.307 131 V C -1.871 174.233 176.094 0.017 0.000 1.147 131 V CA -0.703 61.639 62.300 0.069 0.000 0.951 131 V CB 2.484 34.389 31.823 0.137 0.000 1.031 131 V HN 0.454 nan 8.190 nan 0.000 0.426 132 D N 3.913 124.303 120.400 -0.016 0.000 2.453 132 D HA 0.356 5.006 4.640 0.017 0.000 0.238 132 D C 0.411 176.699 176.300 -0.020 0.000 1.088 132 D CA 0.010 54.000 54.000 -0.017 0.000 0.854 132 D CB 1.852 42.634 40.800 -0.031 0.000 1.076 132 D HN 0.540 nan 8.370 nan 0.000 0.533 133 V N 1.767 121.701 119.914 0.034 0.000 3.542 133 V HA 0.094 4.224 4.120 0.017 0.000 0.296 133 V C 1.824 177.893 176.094 -0.042 0.000 1.364 133 V CA 0.642 62.965 62.300 0.038 0.000 1.118 133 V CB -0.345 31.583 31.823 0.174 0.000 0.972 133 V HN 0.452 nan 8.190 nan 0.000 0.430 134 S N 0.684 116.349 115.700 -0.059 0.000 2.420 134 S HA -0.231 4.249 4.470 0.017 0.000 0.237 134 S C 1.616 176.169 174.600 -0.078 0.000 1.023 134 S CA 1.504 59.656 58.200 -0.081 0.000 0.991 134 S CB -0.543 62.617 63.200 -0.068 0.000 0.792 134 S HN 0.628 nan 8.310 nan 0.000 0.488 135 Q N 0.743 120.503 119.800 -0.067 0.000 2.222 135 Q HA 0.424 4.774 4.340 0.017 0.000 0.206 135 Q C -0.486 175.458 176.000 -0.092 0.000 0.877 135 Q CA 0.112 55.877 55.803 -0.065 0.000 0.958 135 Q CB 0.076 28.790 28.738 -0.040 0.000 1.075 135 Q HN 0.603 nan 8.270 nan 0.000 0.483 136 L N 3.330 124.485 121.223 -0.114 0.000 2.301 136 L HA 0.380 4.730 4.340 0.017 0.000 0.278 136 L C -2.143 174.622 176.870 -0.176 0.000 1.022 136 L CA -1.604 53.139 54.840 -0.161 0.000 0.854 136 L CB 1.336 43.307 42.059 -0.147 0.000 1.226 136 L HN -0.109 nan 8.230 nan 0.000 0.429 137 P HA 0.157 nan 4.420 nan 0.000 0.297 137 P C -0.289 176.884 177.300 -0.213 0.000 1.307 137 P CA -0.742 62.253 63.100 -0.176 0.000 0.773 137 P CB 0.884 32.499 31.700 -0.141 0.000 1.265 138 c N -0.749 117.735 118.600 -0.194 0.000 2.563 138 c HA 0.345 4.925 4.570 0.017 0.000 0.411 138 c C 1.977 175.926 174.090 -0.235 0.000 1.386 138 c CA 2.081 58.280 56.329 -0.217 0.000 1.703 138 c CB -1.355 41.050 42.510 -0.176 0.000 2.596 138 c HN 0.973 nan 8.230 nan 0.000 0.605 139 G N 2.365 110.994 108.800 -0.286 0.000 2.213 139 G HA2 -0.185 3.785 3.960 0.017 0.000 0.236 139 G HA3 -0.185 3.785 3.960 0.017 0.000 0.236 139 G C -0.045 174.647 174.900 -0.347 0.000 0.991 139 G CA 0.064 44.994 45.100 -0.283 0.000 0.629 139 G HN 0.633 nan 8.290 nan 0.000 0.517 140 L N 0.108 121.093 121.223 -0.397 0.000 2.332 140 L HA 0.703 5.053 4.340 0.017 0.000 0.269 140 L C -0.206 176.373 176.870 -0.485 0.000 1.016 140 L CA -1.095 53.464 54.840 -0.468 0.000 0.809 140 L CB 1.781 43.532 42.059 -0.514 0.000 1.280 140 L HN 0.153 nan 8.230 nan 0.000 0.447 141 N N 0.536 118.918 118.700 -0.530 0.000 2.533 141 N HA 0.313 5.063 4.740 0.017 0.000 0.289 141 N C -0.817 174.579 175.510 -0.190 0.000 1.103 141 N CA -0.309 52.445 53.050 -0.494 0.000 0.877 141 N CB 2.024 39.956 38.487 -0.924 0.000 1.419 141 N HN 0.708 nan 8.380 nan 0.000 0.517 142 G N 1.726 110.533 108.800 0.011 0.000 2.404 142 G HA2 0.635 4.605 3.960 0.017 0.000 0.316 142 G HA3 0.635 4.605 3.960 0.017 0.000 0.316 142 G C -0.510 174.698 174.900 0.514 0.000 1.074 142 G CA -0.391 44.868 45.100 0.266 0.000 0.989 142 G HN 0.639 nan 8.290 nan 0.000 0.430 143 A N 2.826 125.995 122.820 0.581 0.000 2.324 143 A HA 0.804 5.134 4.320 0.017 0.000 0.330 143 A C -0.714 177.124 177.584 0.423 0.000 1.165 143 A CA -0.692 51.691 52.037 0.577 0.000 0.813 143 A CB 1.508 20.862 19.000 0.589 0.000 1.197 143 A HN 0.938 nan 8.150 nan 0.000 0.484 144 L N 3.276 124.673 121.223 0.290 0.000 2.406 144 L HA 0.796 5.146 4.340 0.017 0.000 0.272 144 L C -1.377 175.512 176.870 0.031 0.000 0.980 144 L CA -0.596 54.094 54.840 -0.248 0.000 0.831 144 L CB 1.300 42.850 42.059 -0.847 0.000 1.253 144 L HN 0.899 nan 8.230 nan 0.000 0.406 145 Y N 2.239 122.326 120.300 -0.356 0.000 2.744 145 Y HA 0.711 5.270 4.550 0.014 0.000 0.330 145 Y C -1.986 173.634 175.900 -0.466 0.000 1.263 145 Y CA -1.812 56.158 58.100 -0.216 0.000 1.065 145 Y CB 0.978 39.458 38.460 0.034 0.000 1.306 145 Y HN 0.294 nan 8.280 nan 0.000 0.459 146 F N 1.265 121.222 119.950 0.011 0.000 2.551 146 F HA 0.741 5.277 4.527 0.014 0.000 0.316 146 F C -0.375 175.444 175.800 0.032 0.000 1.089 146 F CA -0.994 56.929 58.000 -0.130 0.000 0.915 146 F CB 2.475 41.352 39.000 -0.205 0.000 1.186 146 F HN 0.569 nan 8.300 nan 0.000 0.456 147 V N -1.132 118.855 119.914 0.122 0.000 2.962 147 V HA 0.573 4.703 4.120 0.017 0.000 0.313 147 V C -0.390 175.704 176.094 -0.001 0.000 1.099 147 V CA -1.006 61.334 62.300 0.067 0.000 0.971 147 V CB 1.652 33.463 31.823 -0.020 0.000 1.028 147 V HN 0.633 nan 8.190 nan 0.000 0.430 148 S N 3.841 119.527 115.700 -0.023 0.000 4.120 148 S HA 0.456 4.936 4.470 0.017 0.000 0.196 148 S C -0.049 174.516 174.600 -0.058 0.000 1.447 148 S CA -0.222 57.953 58.200 -0.042 0.000 0.939 148 S CB -0.882 62.291 63.200 -0.045 0.000 1.496 148 S HN 0.658 nan 8.310 nan 0.000 0.460 149 M N 1.614 121.167 119.600 -0.079 0.000 2.359 149 M HA 0.290 4.779 4.480 0.017 0.000 0.322 149 M C -0.111 176.182 176.300 -0.011 0.000 1.166 149 M CA -0.679 54.574 55.300 -0.079 0.000 1.067 149 M CB 0.663 33.146 32.600 -0.194 0.000 1.523 149 M HN 0.174 nan 8.290 nan 0.000 0.467 150 D N 0.860 121.281 120.400 0.036 0.000 2.341 150 D HA 0.198 4.848 4.640 0.017 0.000 0.245 150 D C 0.601 176.977 176.300 0.126 0.000 1.106 150 D CA 0.034 54.065 54.000 0.052 0.000 0.905 150 D CB 1.330 42.152 40.800 0.038 0.000 1.202 150 D HN 0.709 nan 8.370 nan 0.000 0.426 151 A N 2.110 124.978 122.820 0.079 0.000 1.978 151 A HA -0.200 4.129 4.320 0.017 0.000 0.220 151 A C 1.308 178.861 177.584 -0.052 0.000 1.170 151 A CA 1.608 53.691 52.037 0.076 0.000 0.636 151 A CB -0.236 18.771 19.000 0.012 0.000 0.810 151 A HN 0.609 nan 8.150 nan 0.000 0.448 152 D N -2.564 117.802 120.400 -0.057 0.000 2.339 152 D HA 0.288 4.938 4.640 0.017 0.000 0.217 152 D C 1.127 177.360 176.300 -0.112 0.000 1.050 152 D CA 0.758 54.685 54.000 -0.121 0.000 0.856 152 D CB -0.617 40.142 40.800 -0.070 0.000 0.922 152 D HN 0.744 nan 8.370 nan 0.000 0.518 153 G N -0.318 108.479 108.800 -0.005 0.000 2.148 153 G HA2 -0.120 3.850 3.960 0.017 0.000 0.254 153 G HA3 -0.120 3.850 3.960 0.017 0.000 0.254 153 G C 1.154 176.134 174.900 0.133 0.000 0.981 153 G CA 0.406 45.581 45.100 0.126 0.000 0.670 153 G HN 1.397 nan 8.290 nan 0.000 0.528 154 G N -2.563 106.299 108.800 0.104 0.000 2.179 154 G HA2 -0.135 3.835 3.960 0.017 0.000 0.220 154 G HA3 -0.135 3.835 3.960 0.017 0.000 0.220 154 G C 1.332 176.283 174.900 0.085 0.000 0.990 154 G CA 1.039 46.231 45.100 0.153 0.000 0.646 154 G HN 1.421 nan 8.290 nan 0.000 0.517 155 V N 1.986 121.921 119.914 0.034 0.000 2.324 155 V HA -0.242 3.888 4.120 0.017 0.000 0.250 155 V C 3.088 179.155 176.094 -0.046 0.000 1.060 155 V CA 3.362 65.666 62.300 0.006 0.000 1.042 155 V CB -0.765 31.051 31.823 -0.011 0.000 0.650 155 V HN 1.093 nan 8.190 nan 0.000 0.450 156 S N -0.231 115.418 115.700 -0.085 0.000 2.402 156 S HA -0.175 4.305 4.470 0.017 0.000 0.229 156 S C 1.872 176.358 174.600 -0.190 0.000 1.021 156 S CA 1.265 59.398 58.200 -0.111 0.000 0.974 156 S CB -0.314 62.828 63.200 -0.097 0.000 0.800 156 S HN 0.659 nan 8.310 nan 0.000 0.484 157 K N -0.210 119.979 120.400 -0.352 0.000 2.211 157 K HA 0.127 4.457 4.320 0.017 0.000 0.201 157 K C -0.568 175.636 176.600 -0.660 0.000 1.052 157 K CA 0.583 56.479 56.287 -0.651 0.000 0.973 157 K CB 0.086 31.879 32.500 -1.177 0.000 0.766 157 K HN 0.467 nan 8.250 nan 0.000 0.466 158 Y N 0.897 121.189 120.300 -0.013 0.000 2.646 158 Y HA 0.207 4.760 4.550 0.004 0.000 0.334 158 Y C -1.966 173.923 175.900 -0.019 0.000 1.004 158 Y CA -3.044 55.048 58.100 -0.014 0.000 1.301 158 Y CB 0.929 39.385 38.460 -0.007 0.000 1.093 158 Y HN -0.037 nan 8.280 nan 0.000 0.530 159 P HA -0.162 nan 4.420 nan 0.000 0.221 159 P C 1.047 178.361 177.300 0.024 0.000 1.145 159 P CA 1.617 64.734 63.100 0.028 0.000 0.795 159 P CB 0.086 31.790 31.700 0.006 0.000 0.775 160 T N -4.246 110.331 114.554 0.038 0.000 3.160 160 T HA -0.010 4.350 4.350 0.017 0.000 0.257 160 T C 0.873 175.569 174.700 -0.007 0.000 1.147 160 T CA -0.076 62.029 62.100 0.009 0.000 1.064 160 T CB -0.883 67.991 68.868 0.010 0.000 0.949 160 T HN 0.017 nan 8.240 nan 0.000 0.526 161 N N 2.355 121.067 118.700 0.022 0.000 2.485 161 N HA 0.188 4.938 4.740 0.017 0.000 0.243 161 N C 0.640 176.141 175.510 -0.017 0.000 0.987 161 N CA -0.219 52.829 53.050 -0.004 0.000 0.940 161 N CB 1.414 39.937 38.487 0.060 0.000 1.122 161 N HN 0.300 nan 8.380 nan 0.000 0.509 162 T N -0.180 114.338 114.554 -0.060 0.000 3.044 162 T HA 0.342 4.702 4.350 0.017 0.000 0.260 162 T C 1.297 175.965 174.700 -0.054 0.000 1.019 162 T CA 0.229 62.298 62.100 -0.051 0.000 0.921 162 T CB 0.271 69.102 68.868 -0.061 0.000 1.053 162 T HN 0.285 nan 8.240 nan 0.000 0.533 163 A N 1.780 124.553 122.820 -0.078 0.000 1.874 163 A HA 0.598 4.928 4.320 0.017 0.000 0.214 163 A C 1.850 179.513 177.584 0.132 0.000 1.189 163 A CA 0.960 52.973 52.037 -0.040 0.000 0.615 163 A CB -1.278 17.628 19.000 -0.156 0.000 0.830 163 A HN 1.385 nan 8.150 nan 0.000 0.443 164 G N -1.779 107.062 108.800 0.067 0.000 2.601 164 G HA2 0.061 4.031 3.960 0.017 0.000 0.252 164 G HA3 0.061 4.031 3.960 0.017 0.000 0.252 164 G C 1.138 176.049 174.900 0.018 0.000 1.294 164 G CA 0.947 46.069 45.100 0.037 0.000 0.912 164 G HN 1.510 nan 8.290 nan 0.000 0.574 165 A N -0.504 122.204 122.820 -0.186 0.000 1.978 165 A HA -0.030 4.300 4.320 0.017 0.000 0.220 165 A C 2.268 179.710 177.584 -0.238 0.000 1.170 165 A CA 2.679 54.404 52.037 -0.521 0.000 0.636 165 A CB -0.466 17.842 19.000 -1.154 0.000 0.810 165 A HN 1.016 nan 8.150 nan 0.000 0.448 166 K N -1.755 118.589 120.400 -0.093 0.000 2.152 166 K HA -0.169 4.161 4.320 0.017 0.000 0.206 166 K C 0.461 176.966 176.600 -0.158 0.000 1.048 166 K CA 1.560 57.827 56.287 -0.034 0.000 0.933 166 K CB -0.213 32.297 32.500 0.016 0.000 0.721 166 K HN 0.606 nan 8.250 nan 0.000 0.447 167 Y N -0.459 119.915 120.300 0.123 0.000 2.607 167 Y HA 0.255 4.814 4.550 0.015 0.000 0.266 167 Y C 0.822 176.823 175.900 0.168 0.000 1.178 167 Y CA 0.074 58.258 58.100 0.139 0.000 1.226 167 Y CB 1.115 39.611 38.460 0.060 0.000 1.144 167 Y HN 0.220 nan 8.280 nan 0.000 0.528 168 G N 1.524 110.495 108.800 0.285 0.000 2.246 168 G HA2 -0.313 3.657 3.960 0.017 0.000 0.273 168 G HA3 -0.313 3.657 3.960 0.017 0.000 0.273 168 G C 0.310 175.438 174.900 0.380 0.000 1.055 168 G CA 0.511 45.863 45.100 0.421 0.000 0.851 168 G HN 0.449 nan 8.290 nan 0.000 0.500 169 T N -3.376 111.354 114.554 0.293 0.000 2.847 169 T HA 0.691 5.051 4.350 0.017 0.000 0.279 169 T C 1.549 176.386 174.700 0.228 0.000 0.984 169 T CA 0.613 62.853 62.100 0.233 0.000 0.988 169 T CB 1.932 70.891 68.868 0.153 0.000 1.040 169 T HN 2.072 nan 8.240 nan 0.000 0.528 170 G N -0.316 108.601 108.800 0.195 0.000 2.141 170 G HA2 -0.246 3.724 3.960 0.017 0.000 0.242 170 G HA3 -0.246 3.724 3.960 0.017 0.000 0.242 170 G C -0.163 174.802 174.900 0.109 0.000 0.982 170 G CA 0.066 45.261 45.100 0.157 0.000 0.662 170 G HN 1.103 nan 8.290 nan 0.000 0.527 171 Y N 1.288 121.593 120.300 0.010 0.000 2.652 171 Y HA 0.347 4.912 4.550 0.025 0.000 0.344 171 Y C 1.035 176.952 175.900 0.028 0.000 1.254 171 Y CA 0.283 58.378 58.100 -0.008 0.000 1.480 171 Y CB 0.445 38.981 38.460 0.126 0.000 1.345 171 Y HN 1.005 nan 8.280 nan 0.000 0.617 172 c N 3.796 121.897 118.600 -0.831 0.000 3.284 172 c HA 0.798 5.378 4.570 0.017 0.000 0.338 172 c C -1.485 172.120 174.090 -0.808 0.000 1.237 172 c CA -0.580 55.385 56.329 -0.607 0.000 1.276 172 c CB 1.088 43.448 42.510 -0.250 0.000 1.601 172 c HN 1.018 nan 8.230 nan 0.000 0.494 173 D N -0.297 119.839 120.400 -0.441 0.000 2.713 173 D HA 0.423 5.073 4.640 0.017 0.000 0.306 173 D C 0.546 176.753 176.300 -0.155 0.000 1.299 173 D CA 0.241 54.086 54.000 -0.259 0.000 0.823 173 D CB 0.687 41.377 40.800 -0.182 0.000 1.353 173 D HN 0.986 nan 8.370 nan 0.000 0.447 174 S N -1.244 114.360 115.700 -0.160 0.000 2.555 174 S HA -0.133 4.347 4.470 0.017 0.000 0.230 174 S C 1.040 175.555 174.600 -0.142 0.000 0.978 174 S CA 0.538 58.658 58.200 -0.133 0.000 0.934 174 S CB -0.362 62.745 63.200 -0.155 0.000 0.766 174 S HN 0.422 nan 8.310 nan 0.000 0.533 175 Q N 0.178 119.874 119.800 -0.173 0.000 2.451 175 Q HA 0.211 4.561 4.340 0.017 0.000 0.206 175 Q C 0.670 176.611 176.000 -0.098 0.000 0.947 175 Q CA 0.156 55.868 55.803 -0.151 0.000 0.937 175 Q CB -0.911 27.725 28.738 -0.170 0.000 1.025 175 Q HN 0.693 nan 8.270 nan 0.000 0.511 176 c N 2.383 120.938 118.600 -0.076 0.000 3.896 176 c HA -0.107 4.473 4.570 0.017 0.000 0.300 176 c C -2.060 172.019 174.090 -0.017 0.000 1.322 176 c CA -0.954 55.349 56.329 -0.044 0.000 2.130 176 c CB -2.115 40.374 42.510 -0.035 0.000 1.363 176 c HN 0.336 nan 8.230 nan 0.000 0.642 177 P HA 0.064 nan 4.420 nan 0.000 0.260 177 P C 0.562 177.901 177.300 0.066 0.000 1.185 177 P CA 0.908 64.040 63.100 0.053 0.000 0.763 177 P CB 0.441 32.217 31.700 0.125 0.000 0.776 178 R N 2.120 122.646 120.500 0.044 0.000 2.334 178 R HA 0.009 4.359 4.340 0.017 0.000 0.216 178 R C 1.339 177.650 176.300 0.018 0.000 0.905 178 R CA 0.371 56.488 56.100 0.028 0.000 1.064 178 R CB 0.043 30.329 30.300 -0.023 0.000 1.046 178 R HN 0.553 nan 8.270 nan 0.000 0.508 179 D N 0.523 120.930 120.400 0.012 0.000 2.349 179 D HA -0.075 4.575 4.640 0.017 0.000 0.224 179 D C 0.382 176.776 176.300 0.156 0.000 1.029 179 D CA 0.179 54.182 54.000 0.006 0.000 0.879 179 D CB 0.082 40.850 40.800 -0.053 0.000 0.906 179 D HN 0.138 nan 8.370 nan 0.000 0.528 180 L N 0.872 122.197 121.223 0.171 0.000 2.410 180 L HA 0.113 4.463 4.340 0.017 0.000 0.273 180 L C 1.672 178.661 176.870 0.199 0.000 1.152 180 L CA -0.249 54.699 54.840 0.180 0.000 0.855 180 L CB 0.881 43.058 42.059 0.198 0.000 1.129 180 L HN -0.237 nan 8.230 nan 0.000 0.463 181 K N 2.670 123.127 120.400 0.095 0.000 2.167 181 K HA 0.083 4.413 4.320 0.017 0.000 0.203 181 K C -0.360 176.068 176.600 -0.287 0.000 1.052 181 K CA 1.055 57.311 56.287 -0.052 0.000 0.956 181 K CB 0.157 32.484 32.500 -0.288 0.000 0.735 181 K HN 0.240 nan 8.250 nan 0.000 0.451 182 F N 0.621 120.643 119.950 0.121 0.000 2.518 182 F HA 0.451 4.987 4.527 0.014 0.000 0.323 182 F C -0.452 175.367 175.800 0.032 0.000 1.129 182 F CA -0.890 57.145 58.000 0.058 0.000 0.920 182 F CB 1.433 40.462 39.000 0.048 0.000 1.160 182 F HN -0.248 nan 8.300 nan 0.000 0.440 183 I N 3.234 123.867 120.570 0.105 0.000 2.569 183 I HA 0.300 4.480 4.170 0.017 0.000 0.290 183 I C -0.685 175.327 176.117 -0.175 0.000 1.088 183 I CA -1.009 60.286 61.300 -0.008 0.000 1.047 183 I CB 1.891 39.879 38.000 -0.020 0.000 1.237 183 I HN 0.557 nan 8.210 nan 0.000 0.421 184 N N 4.329 122.806 118.700 -0.370 0.000 2.740 184 N HA -0.188 4.562 4.740 0.017 0.000 0.248 184 N C 0.822 176.049 175.510 -0.470 0.000 1.062 184 N CA 1.476 53.947 53.050 -0.965 0.000 0.704 184 N CB -1.087 36.757 38.487 -1.072 0.000 0.968 184 N HN 1.185 nan 8.380 nan 0.000 0.547 185 G N -1.750 106.978 108.800 -0.120 0.000 2.168 185 G HA2 -0.347 3.623 3.960 0.017 0.000 0.263 185 G HA3 -0.347 3.623 3.960 0.017 0.000 0.263 185 G C -0.092 174.830 174.900 0.036 0.000 0.977 185 G CA 0.863 45.974 45.100 0.019 0.000 0.659 185 G HN 0.596 nan 8.290 nan 0.000 0.533 186 Q N -0.755 119.061 119.800 0.027 0.000 2.433 186 Q HA 0.742 5.092 4.340 0.017 0.000 0.279 186 Q C 0.336 176.359 176.000 0.039 0.000 1.105 186 Q CA -0.413 55.402 55.803 0.020 0.000 0.815 186 Q CB 2.074 30.747 28.738 -0.108 0.000 1.403 186 Q HN 0.653 nan 8.270 nan 0.000 0.435 187 A N 0.980 123.714 122.820 -0.142 0.000 2.292 187 A HA 0.225 4.555 4.320 0.017 0.000 0.265 187 A C 0.219 177.518 177.584 -0.476 0.000 1.133 187 A CA -0.022 51.642 52.037 -0.622 0.000 0.807 187 A CB 0.144 18.591 19.000 -0.921 0.000 1.102 187 A HN 0.718 nan 8.150 nan 0.000 0.502 188 N N -0.567 117.807 118.700 -0.543 0.000 2.416 188 N HA 0.101 4.851 4.740 0.017 0.000 0.267 188 N C 0.513 175.885 175.510 -0.230 0.000 1.294 188 N CA 0.258 53.203 53.050 -0.175 0.000 0.891 188 N CB 0.516 39.067 38.487 0.106 0.000 1.238 188 N HN 0.316 nan 8.380 nan 0.000 0.508 189 V N -0.156 119.286 119.914 -0.786 0.000 2.548 189 V HA 0.076 4.206 4.120 0.017 0.000 0.249 189 V C 0.379 176.324 176.094 -0.249 0.000 1.055 189 V CA 1.141 62.885 62.300 -0.927 0.000 1.065 189 V CB -0.163 30.821 31.823 -1.400 0.000 0.681 189 V HN 0.301 nan 8.190 nan 0.000 0.462 190 E N 0.205 120.313 120.200 -0.152 0.000 2.351 190 E HA 0.388 4.748 4.350 0.017 0.000 0.266 190 E C 1.058 177.696 176.600 0.064 0.000 1.031 190 E CA 0.590 56.976 56.400 -0.024 0.000 0.911 190 E CB 0.413 30.108 29.700 -0.009 0.000 0.986 190 E HN 0.563 nan 8.360 nan 0.000 0.446 191 G N 3.691 112.534 108.800 0.070 0.000 2.159 191 G HA2 -0.271 3.699 3.960 0.017 0.000 0.256 191 G HA3 -0.271 3.699 3.960 0.017 0.000 0.256 191 G C -0.168 174.808 174.900 0.127 0.000 0.977 191 G CA -0.315 44.824 45.100 0.064 0.000 0.652 191 G HN 0.663 nan 8.290 nan 0.000 0.531 192 W N 1.693 122.994 121.300 0.001 0.000 2.322 192 W HA 0.447 5.115 4.660 0.013 0.000 0.328 192 W C -0.445 176.104 176.519 0.049 0.000 1.395 192 W CA 0.523 57.907 57.345 0.065 0.000 1.267 192 W CB 0.535 30.111 29.460 0.192 0.000 1.259 192 W HN 0.150 nan 8.180 nan 0.000 0.560 193 E N 6.968 126.912 120.200 -0.427 0.000 2.191 193 E HA 0.306 4.666 4.350 0.017 0.000 0.263 193 E C -2.299 173.988 176.600 -0.521 0.000 0.881 193 E CA -1.961 54.252 56.400 -0.312 0.000 0.757 193 E CB 1.912 31.450 29.700 -0.270 0.000 1.147 193 E HN 0.135 nan 8.360 nan 0.000 0.414 194 P HA 0.074 nan 4.420 nan 0.000 0.271 194 P C -0.424 176.768 177.300 -0.180 0.000 1.218 194 P CA -0.121 62.906 63.100 -0.122 0.000 0.780 194 P CB 0.663 32.390 31.700 0.045 0.000 0.901 195 S N 1.009 116.603 115.700 -0.176 0.000 2.549 195 S HA 0.059 4.539 4.470 0.017 0.000 0.279 195 S C 1.343 175.902 174.600 -0.068 0.000 1.321 195 S CA -0.096 58.008 58.200 -0.161 0.000 1.054 195 S CB 0.107 63.201 63.200 -0.176 0.000 0.899 195 S HN 0.338 nan 8.310 nan 0.000 0.497 196 S N 2.388 118.067 115.700 -0.035 0.000 2.453 196 S HA -0.081 4.399 4.470 0.017 0.000 0.231 196 S C 1.670 176.296 174.600 0.044 0.000 1.005 196 S CA 0.804 59.009 58.200 0.008 0.000 0.949 196 S CB -0.169 63.045 63.200 0.023 0.000 0.774 196 S HN 0.868 nan 8.310 nan 0.000 0.510 197 N N 0.169 118.914 118.700 0.075 0.000 2.171 197 N HA 0.081 4.831 4.740 0.017 0.000 0.212 197 N C -0.574 175.042 175.510 0.177 0.000 1.184 197 N CA -0.074 53.069 53.050 0.154 0.000 0.888 197 N CB -0.042 38.588 38.487 0.237 0.000 1.038 197 N HN 0.093 nan 8.380 nan 0.000 0.517 198 N N 0.590 119.292 118.700 0.002 0.000 2.504 198 N HA 0.400 5.150 4.740 0.017 0.000 0.280 198 N C -0.102 175.346 175.510 -0.103 0.000 1.052 198 N CA -0.262 52.690 53.050 -0.163 0.000 0.887 198 N CB 1.995 40.132 38.487 -0.583 0.000 1.323 198 N HN 0.121 nan 8.380 nan 0.000 0.509 199 A N 3.116 125.904 122.820 -0.053 0.000 2.216 199 A HA -0.023 4.307 4.320 0.017 0.000 0.214 199 A C 1.065 178.617 177.584 -0.053 0.000 1.160 199 A CA 0.884 52.897 52.037 -0.041 0.000 0.725 199 A CB -0.062 18.923 19.000 -0.024 0.000 0.784 199 A HN 0.693 nan 8.150 nan 0.000 0.472 200 N N -0.640 118.019 118.700 -0.068 0.000 2.184 200 N HA 0.047 4.797 4.740 0.017 0.000 0.206 200 N C 0.238 175.777 175.510 0.049 0.000 1.151 200 N CA 1.009 54.042 53.050 -0.027 0.000 0.878 200 N CB 0.817 39.267 38.487 -0.061 0.000 1.014 200 N HN 0.627 nan 8.380 nan 0.000 0.512 201 T N -2.842 111.708 114.554 -0.007 0.000 2.864 201 T HA 0.857 5.217 4.350 0.017 0.000 0.289 201 T C 0.169 174.868 174.700 -0.001 0.000 1.082 201 T CA -0.800 61.315 62.100 0.024 0.000 1.009 201 T CB 2.666 71.436 68.868 -0.162 0.000 1.234 201 T HN 0.020 nan 8.240 nan 0.000 0.526 202 G N -0.309 108.390 108.800 -0.168 0.000 2.619 202 G HA2 0.582 4.552 3.960 0.017 0.000 0.305 202 G HA3 0.582 4.552 3.960 0.017 0.000 0.305 202 G C -2.064 172.181 174.900 -1.092 0.000 1.330 202 G CA -0.801 43.858 45.100 -0.736 0.000 0.789 202 G HN 0.750 nan 8.290 nan 0.000 0.487 203 I N 1.264 121.054 120.570 -1.300 0.000 2.478 203 I HA 0.520 4.700 4.170 0.017 0.000 0.287 203 I C 0.832 176.510 176.117 -0.731 0.000 1.042 203 I CA -0.438 60.360 61.300 -0.838 0.000 1.067 203 I CB 0.912 38.559 38.000 -0.588 0.000 1.233 203 I HN 0.720 nan 8.210 nan 0.000 0.431 204 G N 3.258 111.894 108.800 -0.273 0.000 2.557 204 G HA2 0.470 4.440 3.960 0.017 0.000 0.302 204 G HA3 0.470 4.440 3.960 0.017 0.000 0.302 204 G C 0.811 175.726 174.900 0.026 0.000 1.311 204 G CA -0.198 44.996 45.100 0.156 0.000 1.030 204 G HN 0.707 nan 8.290 nan 0.000 0.509 205 G N -1.912 106.916 108.800 0.047 0.000 2.920 205 G HA2 0.275 4.245 3.960 0.017 0.000 0.208 205 G HA3 0.275 4.245 3.960 0.017 0.000 0.208 205 G C 0.315 174.994 174.900 -0.369 0.000 1.159 205 G CA 0.311 45.331 45.100 -0.133 0.000 0.784 205 G HN 0.556 nan 8.290 nan 0.000 0.535 206 H N -2.170 116.907 119.070 0.011 0.000 2.895 206 H HA 0.602 5.163 4.556 0.008 0.000 0.373 206 H C 0.240 175.573 175.328 0.009 0.000 1.174 206 H CA 0.031 56.078 56.048 -0.001 0.000 1.144 206 H CB 2.113 31.865 29.762 -0.017 0.000 1.793 206 H HN 0.176 nan 8.280 nan 0.000 0.551 207 G N -0.456 108.413 108.800 0.115 0.000 2.714 207 G HA2 0.463 4.433 3.960 0.017 0.000 0.292 207 G HA3 0.463 4.433 3.960 0.017 0.000 0.292 207 G C -1.175 173.759 174.900 0.055 0.000 1.308 207 G CA -0.737 44.404 45.100 0.068 0.000 0.964 207 G HN 0.475 nan 8.290 nan 0.000 0.484 208 S N -0.914 114.805 115.700 0.032 0.000 2.733 208 S HA 0.476 4.956 4.470 0.017 0.000 0.307 208 S C -0.311 174.262 174.600 -0.045 0.000 1.127 208 S CA -0.648 57.553 58.200 0.001 0.000 1.097 208 S CB -0.393 62.815 63.200 0.014 0.000 1.003 208 S HN 0.720 nan 8.310 nan 0.000 0.477 209 c N 3.956 122.535 118.600 -0.034 0.000 2.370 209 c HA 0.943 5.523 4.570 0.017 0.000 0.354 209 c C 0.453 174.513 174.090 -0.051 0.000 1.218 209 c CA -0.747 55.555 56.329 -0.045 0.000 2.154 209 c CB -0.750 41.750 42.510 -0.016 0.000 2.391 209 c HN 1.051 nan 8.230 nan 0.000 0.540 210 c N 0.119 118.686 118.600 -0.056 0.000 3.224 210 c HA 0.559 5.139 4.570 0.017 0.000 0.348 210 c C -0.396 173.696 174.090 0.003 0.000 1.242 210 c CA -0.704 55.605 56.329 -0.034 0.000 1.180 210 c CB -0.023 42.449 42.510 -0.062 0.000 1.458 210 c HN 0.827 nan 8.230 nan 0.000 0.485 211 S N 1.254 116.981 115.700 0.045 0.000 2.563 211 S HA 0.390 4.870 4.470 0.017 0.000 0.284 211 S C -0.219 174.492 174.600 0.184 0.000 1.331 211 S CA 0.323 58.609 58.200 0.144 0.000 1.047 211 S CB 0.279 63.532 63.200 0.089 0.000 0.859 211 S HN 0.877 nan 8.310 nan 0.000 0.514 212 E N 1.200 121.611 120.200 0.352 0.000 2.290 212 E HA 0.431 4.791 4.350 0.017 0.000 0.274 212 E C -1.561 175.367 176.600 0.547 0.000 0.889 212 E CA -0.702 55.908 56.400 0.351 0.000 0.760 212 E CB 1.025 30.803 29.700 0.131 0.000 1.206 212 E HN 0.428 nan 8.360 nan 0.000 0.419 213 M N 4.584 124.509 119.600 0.541 0.000 2.036 213 M HA 0.320 4.810 4.480 0.017 0.000 0.337 213 M C -1.683 174.900 176.300 0.471 0.000 1.012 213 M CA -0.554 55.082 55.300 0.561 0.000 0.962 213 M CB 0.914 33.874 32.600 0.600 0.000 1.423 213 M HN 0.266 nan 8.290 nan 0.000 0.405 214 D N 6.197 126.831 120.400 0.389 0.000 2.422 214 D HA 0.182 4.832 4.640 0.017 0.000 0.227 214 D C 1.261 177.778 176.300 0.360 0.000 1.190 214 D CA 0.130 54.335 54.000 0.342 0.000 0.905 214 D CB 0.687 41.644 40.800 0.261 0.000 1.034 214 D HN 0.674 nan 8.370 nan 0.000 0.507 215 I N 0.376 121.195 120.570 0.414 0.000 2.353 215 I HA -0.068 4.112 4.170 0.017 0.000 0.248 215 I C 0.857 177.332 176.117 0.598 0.000 1.119 215 I CA 0.866 62.444 61.300 0.463 0.000 1.417 215 I CB 0.338 38.601 38.000 0.438 0.000 1.078 215 I HN 0.347 nan 8.210 nan 0.000 0.421 216 W N 2.312 123.784 121.300 0.288 0.000 3.036 216 W HA 0.359 5.029 4.660 0.015 0.000 0.337 216 W C -1.431 175.263 176.519 0.292 0.000 1.055 216 W CA -0.487 57.055 57.345 0.329 0.000 1.248 216 W CB 1.542 31.300 29.460 0.498 0.000 1.335 216 W HN -0.076 nan 8.180 nan 0.000 0.446 217 E N 4.048 124.214 120.200 -0.055 0.000 2.220 217 E HA 0.674 5.034 4.350 0.017 0.000 0.256 217 E C -0.645 175.697 176.600 -0.430 0.000 0.881 217 E CA -0.312 56.055 56.400 -0.055 0.000 0.766 217 E CB 1.999 31.805 29.700 0.176 0.000 1.187 217 E HN 0.428 nan 8.360 nan 0.000 0.419 218 A N 3.321 125.865 122.820 -0.459 0.000 2.601 218 A HA 0.649 4.979 4.320 0.017 0.000 0.291 218 A C -1.407 176.027 177.584 -0.251 0.000 1.075 218 A CA -0.938 50.781 52.037 -0.529 0.000 0.671 218 A CB 1.432 19.772 19.000 -1.100 0.000 1.277 218 A HN 0.663 nan 8.150 nan 0.000 0.417 219 N N -1.349 117.238 118.700 -0.187 0.000 3.387 219 N HA 0.461 5.211 4.740 0.017 0.000 0.322 219 N C 0.573 176.055 175.510 -0.047 0.000 1.588 219 N CA 0.075 53.048 53.050 -0.128 0.000 0.778 219 N CB 0.333 38.686 38.487 -0.224 0.000 1.883 219 N HN 0.740 nan 8.380 nan 0.000 0.628 220 S N -1.275 114.348 115.700 -0.128 0.000 2.555 220 S HA 0.075 4.555 4.470 0.017 0.000 0.230 220 S C 1.073 175.494 174.600 -0.299 0.000 0.978 220 S CA 0.263 58.333 58.200 -0.218 0.000 0.934 220 S CB -0.472 62.599 63.200 -0.215 0.000 0.766 220 S HN 0.482 nan 8.310 nan 0.000 0.533 221 I N 0.604 121.058 120.570 -0.193 0.000 2.729 221 I HA 0.275 4.455 4.170 0.017 0.000 0.256 221 I C 0.649 176.726 176.117 -0.067 0.000 1.115 221 I CA 0.433 61.609 61.300 -0.206 0.000 1.446 221 I CB -0.965 36.895 38.000 -0.234 0.000 1.176 221 I HN 0.226 nan 8.210 nan 0.000 0.446 222 S N 0.134 115.809 115.700 -0.041 0.000 2.588 222 S HA 0.565 5.045 4.470 0.017 0.000 0.275 222 S C -0.969 173.461 174.600 -0.282 0.000 1.130 222 S CA -0.679 57.461 58.200 -0.100 0.000 0.855 222 S CB 2.920 65.969 63.200 -0.251 0.000 1.116 222 S HN 0.309 nan 8.310 nan 0.000 0.472 223 E N -0.118 119.787 120.200 -0.492 0.000 2.356 223 E HA 0.844 5.204 4.350 0.017 0.000 0.275 223 E C -1.188 175.218 176.600 -0.324 0.000 0.904 223 E CA -1.107 54.887 56.400 -0.678 0.000 0.757 223 E CB 1.616 30.553 29.700 -1.270 0.000 1.232 223 E HN 0.688 nan 8.360 nan 0.000 0.442 224 A N 1.822 124.511 122.820 -0.218 0.000 2.475 224 A HA 0.743 5.073 4.320 0.017 0.000 0.301 224 A C -1.813 175.843 177.584 0.120 0.000 1.059 224 A CA -0.903 51.153 52.037 0.031 0.000 0.710 224 A CB 1.492 20.556 19.000 0.107 0.000 1.288 224 A HN 0.662 nan 8.150 nan 0.000 0.408 225 L N 1.287 122.626 121.223 0.193 0.000 2.349 225 L HA 0.842 5.192 4.340 0.017 0.000 0.278 225 L C -0.870 176.094 176.870 0.157 0.000 0.996 225 L CA 0.369 55.329 54.840 0.201 0.000 0.825 225 L CB 1.970 44.124 42.059 0.158 0.000 1.243 225 L HN 0.623 nan 8.230 nan 0.000 0.412 226 T N 5.797 120.431 114.554 0.135 0.000 3.170 226 T HA 0.468 4.828 4.350 0.017 0.000 0.315 226 T C -2.904 171.745 174.700 -0.084 0.000 0.967 226 T CA -0.814 61.286 62.100 -0.000 0.000 1.024 226 T CB 1.678 70.540 68.868 -0.011 0.000 1.018 226 T HN 0.337 nan 8.240 nan 0.000 0.449 227 P HA 0.397 nan 4.420 nan 0.000 0.288 227 P C -0.862 176.177 177.300 -0.434 0.000 1.267 227 P CA -0.553 62.227 63.100 -0.533 0.000 0.815 227 P CB 0.608 31.812 31.700 -0.827 0.000 0.989 228 H N 2.787 121.741 119.070 -0.194 0.000 2.991 228 H HA 0.297 4.862 4.556 0.015 0.000 0.304 228 H C -2.396 173.074 175.328 0.236 0.000 1.040 228 H CA -1.824 54.286 56.048 0.104 0.000 1.410 228 H CB 1.648 31.480 29.762 0.116 0.000 1.529 228 H HN 0.282 nan 8.280 nan 0.000 0.509 229 P HA 0.230 nan 4.420 nan 0.000 0.276 229 P C -0.287 177.118 177.300 0.174 0.000 1.252 229 P CA -0.376 62.897 63.100 0.288 0.000 0.802 229 P CB 1.223 32.960 31.700 0.062 0.000 1.035 230 c N -0.127 118.549 118.600 0.126 0.000 2.888 230 c HA 0.321 4.901 4.570 0.017 0.000 0.308 230 c C 1.945 176.060 174.090 0.040 0.000 1.213 230 c CA -0.038 56.335 56.329 0.074 0.000 1.461 230 c CB 1.304 43.853 42.510 0.064 0.000 1.934 230 c HN 0.719 nan 8.230 nan 0.000 0.474 231 T N -1.510 113.059 114.554 0.025 0.000 2.962 231 T HA -0.041 4.319 4.350 0.017 0.000 0.270 231 T C 0.616 175.322 174.700 0.010 0.000 1.088 231 T CA 1.314 63.421 62.100 0.012 0.000 1.127 231 T CB -0.321 68.553 68.868 0.011 0.000 0.883 231 T HN 0.684 nan 8.240 nan 0.000 0.493 232 T N 1.630 116.192 114.554 0.013 0.000 2.770 232 T HA 0.504 4.864 4.350 0.017 0.000 0.283 232 T C 1.219 175.923 174.700 0.006 0.000 0.988 232 T CA -0.658 61.447 62.100 0.008 0.000 0.957 232 T CB 1.950 70.825 68.868 0.011 0.000 0.930 232 T HN -0.060 nan 8.240 nan 0.000 0.443 233 V N 2.980 122.891 119.914 -0.005 0.000 2.261 233 V HA 0.033 4.163 4.120 0.017 0.000 0.246 233 V C 1.874 177.958 176.094 -0.018 0.000 1.047 233 V CA 1.921 64.210 62.300 -0.018 0.000 1.015 233 V CB -0.862 30.937 31.823 -0.041 0.000 0.642 233 V HN 0.937 nan 8.190 nan 0.000 0.446 234 G N -1.344 107.446 108.800 -0.016 0.000 2.525 234 G HA2 0.295 4.265 3.960 0.017 0.000 0.287 234 G HA3 0.295 4.265 3.960 0.017 0.000 0.287 234 G C -0.380 174.518 174.900 -0.004 0.000 1.350 234 G CA -0.290 44.801 45.100 -0.015 0.000 1.039 234 G HN 0.179 nan 8.290 nan 0.000 0.513 235 Q N 0.170 119.971 119.800 0.001 0.000 2.286 235 Q HA 0.103 4.453 4.340 0.017 0.000 0.290 235 Q C -0.497 175.531 176.000 0.047 0.000 1.049 235 Q CA 0.770 56.581 55.803 0.014 0.000 0.923 235 Q CB 0.580 29.338 28.738 0.034 0.000 1.183 235 Q HN 0.644 nan 8.270 nan 0.000 0.383 236 E N 4.096 124.316 120.200 0.034 0.000 2.335 236 E HA 0.319 4.679 4.350 0.017 0.000 0.280 236 E C -1.262 175.354 176.600 0.028 0.000 0.918 236 E CA -0.564 55.863 56.400 0.046 0.000 0.765 236 E CB 1.470 31.191 29.700 0.035 0.000 1.218 236 E HN 0.725 nan 8.360 nan 0.000 0.425 237 I N 3.621 124.207 120.570 0.027 0.000 2.720 237 I HA 0.303 4.483 4.170 0.017 0.000 0.287 237 I C -0.192 175.961 176.117 0.060 0.000 1.090 237 I CA -0.241 61.074 61.300 0.025 0.000 1.384 237 I CB 0.283 38.270 38.000 -0.022 0.000 1.420 237 I HN 0.758 nan 8.210 nan 0.000 0.575 238 c N 4.204 122.855 118.600 0.086 0.000 2.971 238 c HA 0.671 5.251 4.570 0.017 0.000 0.310 238 c C -0.484 173.657 174.090 0.085 0.000 1.285 238 c CA -0.853 55.517 56.329 0.068 0.000 1.593 238 c CB 1.230 43.754 42.510 0.023 0.000 2.076 238 c HN 0.874 nan 8.230 nan 0.000 0.472 239 E N 0.708 120.909 120.200 0.001 0.000 2.191 239 E HA 0.506 4.866 4.350 0.017 0.000 0.263 239 E C 0.880 177.382 176.600 -0.163 0.000 0.881 239 E CA 0.532 56.834 56.400 -0.165 0.000 0.757 239 E CB 1.376 31.020 29.700 -0.094 0.000 1.147 239 E HN 1.626 nan 8.360 nan 0.000 0.414 240 G N 4.976 113.638 108.800 -0.230 0.000 2.634 240 G HA2 -0.384 3.586 3.960 0.017 0.000 0.309 240 G HA3 -0.384 3.586 3.960 0.017 0.000 0.309 240 G C 0.588 175.435 174.900 -0.088 0.000 1.265 240 G CA 0.508 45.519 45.100 -0.148 0.000 0.998 240 G HN 0.745 nan 8.290 nan 0.000 0.551 241 D N 1.498 121.858 120.400 -0.067 0.000 2.348 241 D HA 0.040 4.690 4.640 0.017 0.000 0.216 241 D C 2.363 178.637 176.300 -0.043 0.000 0.970 241 D CA 1.328 55.298 54.000 -0.050 0.000 0.889 241 D CB -0.719 40.058 40.800 -0.039 0.000 0.912 241 D HN 0.630 nan 8.370 nan 0.000 0.524 242 G N -0.040 108.735 108.800 -0.041 0.000 2.679 242 G HA2 -0.162 3.808 3.960 0.017 0.000 0.212 242 G HA3 -0.162 3.808 3.960 0.017 0.000 0.212 242 G C 1.669 176.555 174.900 -0.024 0.000 1.137 242 G CA 0.102 45.186 45.100 -0.026 0.000 0.787 242 G HN 0.292 nan 8.290 nan 0.000 0.534 243 c N -0.380 118.198 118.600 -0.035 0.000 2.464 243 c HA 0.440 5.020 4.570 0.017 0.000 0.278 243 c C 2.075 176.140 174.090 -0.042 0.000 1.375 243 c CA 0.397 56.708 56.329 -0.031 0.000 1.761 243 c CB -1.116 41.373 42.510 -0.035 0.000 1.944 243 c HN 0.852 nan 8.230 nan 0.000 0.509 244 G N -0.287 108.478 108.800 -0.057 0.000 2.645 244 G HA2 0.337 4.307 3.960 0.017 0.000 0.239 244 G HA3 0.337 4.307 3.960 0.017 0.000 0.239 244 G C 0.281 175.104 174.900 -0.129 0.000 1.331 244 G CA -0.292 44.755 45.100 -0.089 0.000 0.890 244 G HN 1.919 nan 8.290 nan 0.000 0.572 245 G N -3.404 105.285 108.800 -0.185 0.000 2.681 245 G HA2 0.158 4.128 3.960 0.017 0.000 0.220 245 G HA3 0.158 4.128 3.960 0.017 0.000 0.220 245 G C 0.997 175.701 174.900 -0.326 0.000 1.353 245 G CA 0.944 45.907 45.100 -0.228 0.000 0.872 245 G HN 1.999 nan 8.290 nan 0.000 0.557 246 T N -0.200 114.087 114.554 -0.445 0.000 2.708 246 T HA -0.078 4.282 4.350 0.017 0.000 0.266 246 T C 1.590 175.820 174.700 -0.782 0.000 1.037 246 T CA 2.556 64.182 62.100 -0.790 0.000 1.146 246 T CB -0.226 67.971 68.868 -1.119 0.000 0.865 246 T HN 0.406 nan 8.240 nan 0.000 0.435 247 Y N 1.669 121.794 120.300 -0.292 0.000 2.718 247 Y HA 0.465 5.023 4.550 0.014 0.000 0.322 247 Y C 0.632 176.444 175.900 -0.147 0.000 1.122 247 Y CA -0.661 57.319 58.100 -0.200 0.000 1.348 247 Y CB -0.123 38.233 38.460 -0.173 0.000 1.174 247 Y HN 0.018 nan 8.280 nan 0.000 0.523 248 S N -0.810 114.854 115.700 -0.060 0.000 2.599 248 S HA 0.189 4.669 4.470 0.017 0.000 0.294 248 S C 0.201 174.763 174.600 -0.063 0.000 1.094 248 S CA -0.792 57.375 58.200 -0.055 0.000 0.931 248 S CB 1.624 64.779 63.200 -0.075 0.000 1.093 248 S HN 0.174 nan 8.310 nan 0.000 0.488 249 D N 1.480 121.855 120.400 -0.041 0.000 2.144 249 D HA -0.030 4.620 4.640 0.017 0.000 0.199 249 D C 0.407 176.684 176.300 -0.039 0.000 0.984 249 D CA 1.335 55.317 54.000 -0.030 0.000 0.834 249 D CB 0.036 40.826 40.800 -0.016 0.000 0.955 249 D HN 0.335 nan 8.370 nan 0.000 0.465 250 N N -0.070 118.598 118.700 -0.053 0.000 2.524 250 N HA 0.115 4.865 4.740 0.017 0.000 0.261 250 N C 0.401 175.833 175.510 -0.131 0.000 0.998 250 N CA -0.372 52.645 53.050 -0.055 0.000 0.915 250 N CB 1.058 39.542 38.487 -0.006 0.000 1.187 250 N HN -0.176 nan 8.380 nan 0.000 0.507 251 R N 2.702 123.041 120.500 -0.267 0.000 2.105 251 R HA -0.116 4.234 4.340 0.017 0.000 0.239 251 R C 0.082 176.054 176.300 -0.546 0.000 1.135 251 R CA 1.709 57.509 56.100 -0.500 0.000 0.967 251 R CB 0.054 29.883 30.300 -0.786 0.000 0.861 251 R HN 0.588 nan 8.270 nan 0.000 0.442 252 Y N -1.465 118.833 120.300 -0.004 0.000 2.524 252 Y HA 0.322 4.879 4.550 0.012 0.000 0.266 252 Y C 1.742 177.644 175.900 0.003 0.000 1.180 252 Y CA 0.074 58.177 58.100 0.005 0.000 1.244 252 Y CB 0.508 38.976 38.460 0.014 0.000 1.125 252 Y HN 0.129 nan 8.280 nan 0.000 0.524 253 G N -0.230 108.607 108.800 0.063 0.000 2.813 253 G HA2 0.169 4.139 3.960 0.017 0.000 0.209 253 G HA3 0.169 4.139 3.960 0.017 0.000 0.209 253 G C 1.026 175.942 174.900 0.028 0.000 1.150 253 G CA 0.476 45.603 45.100 0.045 0.000 0.785 253 G HN 0.456 nan 8.290 nan 0.000 0.535 254 G N -0.345 108.468 108.800 0.021 0.000 2.531 254 G HA2 0.364 4.334 3.960 0.017 0.000 0.281 254 G HA3 0.364 4.334 3.960 0.017 0.000 0.281 254 G C 1.178 176.097 174.900 0.031 0.000 1.382 254 G CA 0.683 45.792 45.100 0.014 0.000 1.045 254 G HN 0.215 nan 8.290 nan 0.000 0.533 255 T N -3.904 110.664 114.554 0.024 0.000 3.081 255 T HA 0.163 4.523 4.350 0.017 0.000 0.250 255 T C 0.669 175.392 174.700 0.039 0.000 1.100 255 T CA -0.066 62.052 62.100 0.029 0.000 1.038 255 T CB -0.456 68.425 68.868 0.021 0.000 0.962 255 T HN 0.294 nan 8.240 nan 0.000 0.516 256 c N 1.836 120.463 118.600 0.044 0.000 2.595 256 c HA 0.693 5.273 4.570 0.017 0.000 0.338 256 c C -0.182 173.970 174.090 0.104 0.000 1.219 256 c CA -1.008 55.361 56.329 0.066 0.000 1.811 256 c CB 1.462 43.997 42.510 0.042 0.000 2.313 256 c HN 0.588 nan 8.230 nan 0.000 0.499 257 D N 1.594 122.087 120.400 0.155 0.000 2.396 257 D HA 0.297 4.947 4.640 0.017 0.000 0.225 257 D C -1.337 175.137 176.300 0.289 0.000 1.121 257 D CA -1.717 52.417 54.000 0.223 0.000 0.853 257 D CB 1.068 42.005 40.800 0.227 0.000 1.043 257 D HN 0.238 nan 8.370 nan 0.000 0.500 258 P HA -0.004 nan 4.420 nan 0.000 0.231 258 P C 0.116 177.547 177.300 0.218 0.000 1.168 258 P CA 0.494 63.667 63.100 0.121 0.000 0.779 258 P CB 0.744 32.423 31.700 -0.035 0.000 0.844 259 D N -0.057 120.503 120.400 0.268 0.000 2.202 259 D HA 0.174 4.824 4.640 0.017 0.000 0.214 259 D C 1.380 177.705 176.300 0.041 0.000 0.967 259 D CA 1.501 55.611 54.000 0.183 0.000 0.871 259 D CB -0.653 40.266 40.800 0.199 0.000 1.020 259 D HN 0.177 nan 8.370 nan 0.000 0.474 260 G N -0.264 108.505 108.800 -0.052 0.000 2.795 260 G HA2 -0.227 3.743 3.960 0.017 0.000 0.664 260 G HA3 -0.227 3.743 3.960 0.017 0.000 0.664 260 G C -0.252 174.426 174.900 -0.371 0.000 1.381 260 G CA -0.438 44.430 45.100 -0.387 0.000 0.853 260 G HN 0.518 nan 8.290 nan 0.000 0.545 261 c N 2.665 120.837 118.600 -0.713 0.000 2.176 261 c HA 0.618 5.198 4.570 0.017 0.000 0.329 261 c C 0.428 174.354 174.090 -0.274 0.000 1.113 261 c CA -0.392 55.464 56.329 -0.788 0.000 1.562 261 c CB -1.673 39.915 42.510 -1.538 0.000 2.040 261 c HN 0.842 nan 8.230 nan 0.000 0.460 262 D N 3.719 124.075 120.400 -0.074 0.000 2.225 262 D HA 0.181 4.831 4.640 0.017 0.000 0.249 262 D C -0.687 175.760 176.300 0.246 0.000 1.052 262 D CA -0.337 53.716 54.000 0.089 0.000 0.909 262 D CB 1.207 42.073 40.800 0.110 0.000 1.186 262 D HN 0.719 nan 8.370 nan 0.000 0.431 263 W N 2.967 124.289 121.300 0.038 0.000 2.453 263 W HA 0.253 4.922 4.660 0.015 0.000 0.310 263 W C -1.491 175.047 176.519 0.032 0.000 1.000 263 W CA -0.790 56.548 57.345 -0.011 0.000 1.367 263 W CB 0.857 30.200 29.460 -0.196 0.000 1.269 263 W HN 0.387 nan 8.180 nan 0.000 0.418 264 N N 7.285 126.109 118.700 0.206 0.000 2.483 264 N HA 0.325 5.075 4.740 0.017 0.000 0.267 264 N C -1.963 173.654 175.510 0.178 0.000 0.998 264 N CA -2.026 51.138 53.050 0.190 0.000 0.918 264 N CB 2.484 41.041 38.487 0.116 0.000 1.215 264 N HN 0.006 nan 8.380 nan 0.000 0.500 265 P HA -0.158 nan 4.420 nan 0.000 0.216 265 P C 0.868 178.293 177.300 0.208 0.000 1.154 265 P CA 1.219 64.467 63.100 0.247 0.000 0.865 265 P CB 0.046 31.931 31.700 0.309 0.000 0.789 266 Y N 0.275 120.644 120.300 0.116 0.000 2.200 266 Y HA -0.133 4.426 4.550 0.016 0.000 0.290 266 Y C 2.648 178.580 175.900 0.054 0.000 1.137 266 Y CA 1.467 59.625 58.100 0.096 0.000 1.163 266 Y CB -0.497 38.013 38.460 0.083 0.000 0.988 266 Y HN -0.270 nan 8.280 nan 0.000 0.518 267 R N 0.015 120.686 120.500 0.287 0.000 2.152 267 R HA -0.123 4.227 4.340 0.017 0.000 0.232 267 R C 1.681 178.063 176.300 0.137 0.000 1.117 267 R CA 1.473 57.675 56.100 0.171 0.000 0.981 267 R CB -0.366 30.002 30.300 0.112 0.000 0.870 267 R HN 0.424 nan 8.270 nan 0.000 0.451 268 L N -0.980 120.299 121.223 0.094 0.000 2.591 268 L HA 0.179 4.529 4.340 0.017 0.000 0.228 268 L C 1.219 178.110 176.870 0.034 0.000 1.133 268 L CA 0.639 55.508 54.840 0.047 0.000 0.880 268 L CB 0.527 42.495 42.059 -0.152 0.000 1.033 268 L HN 0.610 nan 8.230 nan 0.000 0.450 269 G N -0.362 108.444 108.800 0.010 0.000 2.255 269 G HA2 -0.241 3.729 3.960 0.017 0.000 0.196 269 G HA3 -0.241 3.729 3.960 0.017 0.000 0.196 269 G C 0.159 175.015 174.900 -0.073 0.000 0.998 269 G CA -0.392 44.686 45.100 -0.037 0.000 0.656 269 G HN 0.261 nan 8.290 nan 0.000 0.490 270 N N 1.801 120.477 118.700 -0.039 0.000 2.558 270 N HA 0.370 5.120 4.740 0.017 0.000 0.233 270 N C 1.496 176.979 175.510 -0.045 0.000 1.038 270 N CA 0.646 53.690 53.050 -0.009 0.000 0.934 270 N CB 0.963 39.484 38.487 0.056 0.000 1.175 270 N HN 0.355 nan 8.380 nan 0.000 0.512 271 T N -1.112 113.328 114.554 -0.190 0.000 3.129 271 T HA 0.106 4.466 4.350 0.017 0.000 0.251 271 T C 0.899 175.643 174.700 0.073 0.000 1.117 271 T CA 0.172 62.077 62.100 -0.324 0.000 1.034 271 T CB 0.064 68.609 68.868 -0.537 0.000 0.968 271 T HN 0.190 nan 8.240 nan 0.000 0.526 272 S N -0.222 115.538 115.700 0.100 0.000 2.559 272 S HA 0.342 4.822 4.470 0.017 0.000 0.226 272 S C 0.646 175.418 174.600 0.286 0.000 1.000 272 S CA -0.709 57.528 58.200 0.062 0.000 0.948 272 S CB -0.222 62.939 63.200 -0.066 0.000 0.870 272 S HN 0.502 nan 8.310 nan 0.000 0.497 273 F N 1.588 121.663 119.950 0.208 0.000 2.149 273 F HA 0.277 4.814 4.527 0.016 0.000 0.294 273 F C 0.317 176.240 175.800 0.206 0.000 1.095 273 F CA 0.433 58.520 58.000 0.146 0.000 1.276 273 F CB 0.153 39.207 39.000 0.090 0.000 1.023 273 F HN 0.216 nan 8.300 nan 0.000 0.480 274 Y N 0.573 120.861 120.300 -0.020 0.000 2.346 274 Y HA 0.574 5.135 4.550 0.018 0.000 0.332 274 Y C -0.302 175.275 175.900 -0.539 0.000 0.985 274 Y CA -0.316 57.583 58.100 -0.335 0.000 1.112 274 Y CB 1.188 39.511 38.460 -0.229 0.000 1.170 274 Y HN 0.207 nan 8.280 nan 0.000 0.447 275 G N 5.291 113.346 108.800 -1.242 0.000 2.356 275 G HA2 0.292 4.262 3.960 0.017 0.000 0.294 275 G HA3 0.292 4.262 3.960 0.017 0.000 0.294 275 G C -3.539 170.592 174.900 -1.283 0.000 1.423 275 G CA -1.293 42.690 45.100 -1.862 0.000 0.806 275 G HN 0.300 nan 8.290 nan 0.000 0.527 276 P HA 0.510 nan 4.420 nan 0.000 0.281 276 P C 0.467 177.738 177.300 -0.048 0.000 1.286 276 P CA 1.006 63.901 63.100 -0.342 0.000 0.772 276 P CB 1.048 32.604 31.700 -0.240 0.000 0.862 277 G N 2.731 111.527 108.800 -0.007 0.000 2.459 277 G HA2 -0.079 3.891 3.960 0.017 0.000 0.685 277 G HA3 -0.079 3.891 3.960 0.017 0.000 0.685 277 G C 0.659 175.630 174.900 0.118 0.000 1.303 277 G CA -0.036 45.115 45.100 0.086 0.000 0.907 277 G HN 0.414 nan 8.290 nan 0.000 0.632 278 S N -1.105 114.630 115.700 0.058 0.000 2.507 278 S HA 0.028 4.508 4.470 0.017 0.000 0.235 278 S C 2.216 176.823 174.600 0.012 0.000 0.988 278 S CA 1.710 59.928 58.200 0.031 0.000 0.944 278 S CB -0.127 63.080 63.200 0.012 0.000 0.762 278 S HN 2.126 nan 8.310 nan 0.000 0.526 279 S N -0.090 115.604 115.700 -0.011 0.000 2.650 279 S HA 0.331 4.811 4.470 0.017 0.000 0.219 279 S C -0.076 174.344 174.600 -0.300 0.000 0.960 279 S CA -0.686 57.421 58.200 -0.155 0.000 0.925 279 S CB -0.651 62.414 63.200 -0.225 0.000 0.775 279 S HN 0.396 nan 8.310 nan 0.000 0.525 280 F N 0.996 120.891 119.950 -0.092 0.000 2.492 280 F HA 0.449 4.986 4.527 0.017 0.000 0.327 280 F C 1.784 177.464 175.800 -0.200 0.000 1.079 280 F CA -0.894 57.026 58.000 -0.133 0.000 0.967 280 F CB 1.300 40.196 39.000 -0.174 0.000 1.169 280 F HN -0.123 nan 8.300 nan 0.000 0.472 281 T N 1.502 116.005 114.554 -0.084 0.000 2.652 281 T HA -0.087 4.273 4.350 0.017 0.000 0.267 281 T C 0.705 175.088 174.700 -0.530 0.000 1.039 281 T CA 1.169 63.069 62.100 -0.332 0.000 1.153 281 T CB -0.180 68.473 68.868 -0.358 0.000 0.863 281 T HN 0.217 nan 8.240 nan 0.000 0.428 282 L N 2.246 123.100 121.223 -0.615 0.000 2.280 282 L HA 0.371 4.721 4.340 0.017 0.000 0.287 282 L C -0.523 176.132 176.870 -0.358 0.000 1.023 282 L CA -0.830 53.702 54.840 -0.513 0.000 0.819 282 L CB 1.203 42.870 42.059 -0.653 0.000 1.212 282 L HN 0.066 nan 8.230 nan 0.000 0.420 283 D N 2.007 122.270 120.400 -0.227 0.000 2.339 283 D HA 0.045 4.695 4.640 0.017 0.000 0.241 283 D C 1.252 177.398 176.300 -0.257 0.000 1.183 283 D CA -0.289 53.594 54.000 -0.195 0.000 0.859 283 D CB 1.475 42.225 40.800 -0.084 0.000 1.067 283 D HN 0.598 nan 8.370 nan 0.000 0.484 284 T N -0.378 113.932 114.554 -0.407 0.000 3.163 284 T HA -0.115 4.245 4.350 0.017 0.000 0.260 284 T C 1.498 176.067 174.700 -0.218 0.000 1.156 284 T CA 0.998 62.867 62.100 -0.385 0.000 1.072 284 T CB -0.434 68.066 68.868 -0.613 0.000 0.937 284 T HN 0.389 nan 8.240 nan 0.000 0.528 285 T N -1.601 112.853 114.554 -0.167 0.000 3.100 285 T HA 0.272 4.632 4.350 0.017 0.000 0.253 285 T C 0.511 175.168 174.700 -0.072 0.000 1.118 285 T CA -0.186 61.850 62.100 -0.106 0.000 1.058 285 T CB -0.111 68.708 68.868 -0.081 0.000 0.953 285 T HN 0.392 nan 8.240 nan 0.000 0.515 286 K N 0.810 121.166 120.400 -0.073 0.000 2.328 286 K HA 0.483 4.813 4.320 0.017 0.000 0.246 286 K C -0.596 175.984 176.600 -0.035 0.000 0.955 286 K CA -0.982 55.280 56.287 -0.042 0.000 0.817 286 K CB 2.238 34.720 32.500 -0.030 0.000 1.208 286 K HN 0.010 nan 8.250 nan 0.000 0.432 287 K N 2.472 122.863 120.400 -0.016 0.000 2.414 287 K HA 0.183 4.512 4.320 0.017 0.000 0.272 287 K C -0.666 175.933 176.600 -0.002 0.000 0.993 287 K CA -0.091 56.191 56.287 -0.007 0.000 0.964 287 K CB 0.280 32.780 32.500 -0.000 0.000 0.925 287 K HN 0.549 nan 8.250 nan 0.000 0.487 288 L N -0.645 120.571 121.223 -0.011 0.000 2.415 288 L HA 0.568 4.918 4.340 0.017 0.000 0.256 288 L C -0.922 175.894 176.870 -0.091 0.000 1.010 288 L CA -1.006 53.831 54.840 -0.005 0.000 0.826 288 L CB 2.201 44.285 42.059 0.041 0.000 1.405 288 L HN 0.375 nan 8.230 nan 0.000 0.410 289 T N 1.211 115.722 114.554 -0.072 0.000 2.829 289 T HA 0.643 5.003 4.350 0.017 0.000 0.282 289 T C -0.464 174.073 174.700 -0.271 0.000 0.990 289 T CA -0.403 61.581 62.100 -0.194 0.000 1.028 289 T CB 1.727 70.542 68.868 -0.089 0.000 0.951 289 T HN 0.441 nan 8.240 nan 0.000 0.460 290 V N 4.110 123.654 119.914 -0.617 0.000 2.407 290 V HA 0.481 4.611 4.120 0.017 0.000 0.291 290 V C -0.382 175.364 176.094 -0.580 0.000 1.018 290 V CA -0.748 61.149 62.300 -0.671 0.000 0.842 290 V CB 1.666 32.842 31.823 -1.079 0.000 0.996 290 V HN 0.708 nan 8.190 nan 0.000 0.426 291 V N 3.778 123.326 119.914 -0.609 0.000 2.448 291 V HA 0.623 4.753 4.120 0.017 0.000 0.295 291 V C 0.036 175.865 176.094 -0.441 0.000 1.025 291 V CA -0.309 61.652 62.300 -0.565 0.000 0.859 291 V CB 2.110 33.294 31.823 -1.065 0.000 0.988 291 V HN 0.905 nan 8.190 nan 0.000 0.431 292 T N 4.934 119.400 114.554 -0.148 0.000 2.841 292 T HA 0.523 4.883 4.350 0.017 0.000 0.285 292 T C -0.661 173.938 174.700 -0.168 0.000 0.991 292 T CA -0.594 61.410 62.100 -0.160 0.000 0.966 292 T CB 1.440 70.317 68.868 0.015 0.000 0.962 292 T HN 0.689 nan 8.240 nan 0.000 0.438 293 Q N 1.870 121.476 119.800 -0.323 0.000 2.316 293 Q HA 0.509 4.859 4.340 0.017 0.000 0.264 293 Q C -1.208 174.537 176.000 -0.425 0.000 0.987 293 Q CA -0.655 55.023 55.803 -0.207 0.000 0.852 293 Q CB 1.791 30.488 28.738 -0.068 0.000 1.287 293 Q HN 0.585 nan 8.270 nan 0.000 0.448 294 F N 2.183 122.170 119.950 0.063 0.000 2.310 294 F HA 0.172 4.710 4.527 0.017 0.000 0.365 294 F C 0.517 176.351 175.800 0.057 0.000 1.080 294 F CA -0.898 57.145 58.000 0.071 0.000 1.187 294 F CB 0.640 39.687 39.000 0.078 0.000 1.465 294 F HN 0.451 nan 8.300 nan 0.000 0.496 295 E N -1.000 119.276 120.200 0.127 0.000 2.390 295 E HA 0.118 4.478 4.350 0.017 0.000 0.261 295 E C 1.001 177.673 176.600 0.121 0.000 1.076 295 E CA 0.093 56.556 56.400 0.104 0.000 0.905 295 E CB 0.791 30.528 29.700 0.061 0.000 0.984 295 E HN 0.561 nan 8.360 nan 0.000 0.427 296 T N -1.019 113.590 114.554 0.092 0.000 2.977 296 T HA -0.215 4.145 4.350 0.017 0.000 0.271 296 T C 1.776 176.525 174.700 0.081 0.000 1.105 296 T CA 1.196 63.345 62.100 0.082 0.000 1.116 296 T CB -0.526 68.377 68.868 0.059 0.000 0.878 296 T HN 0.526 nan 8.240 nan 0.000 0.509 297 S N 0.719 116.468 115.700 0.082 0.000 2.481 297 S HA 0.327 4.807 4.470 0.017 0.000 0.231 297 S C 2.050 176.713 174.600 0.106 0.000 0.996 297 S CA 0.674 58.924 58.200 0.082 0.000 0.942 297 S CB -0.741 62.505 63.200 0.076 0.000 0.768 297 S HN 1.277 nan 8.310 nan 0.000 0.520 298 G N 0.433 109.313 108.800 0.133 0.000 2.201 298 G HA2 -0.002 3.968 3.960 0.017 0.000 0.212 298 G HA3 -0.002 3.968 3.960 0.017 0.000 0.212 298 G C 0.235 175.255 174.900 0.200 0.000 0.994 298 G CA -0.093 45.115 45.100 0.181 0.000 0.644 298 G HN 1.176 nan 8.290 nan 0.000 0.508 299 A N -0.092 122.813 122.820 0.142 0.000 2.332 299 A HA 0.784 5.114 4.320 0.017 0.000 0.258 299 A C 0.160 177.771 177.584 0.045 0.000 1.087 299 A CA 0.163 52.262 52.037 0.104 0.000 0.802 299 A CB 0.395 19.442 19.000 0.078 0.000 1.042 299 A HN 0.841 nan 8.150 nan 0.000 0.489 300 I N 1.650 122.199 120.570 -0.036 0.000 2.436 300 I HA 0.292 4.472 4.170 0.017 0.000 0.289 300 I C -0.486 175.484 176.117 -0.246 0.000 1.010 300 I CA -0.551 60.630 61.300 -0.197 0.000 1.098 300 I CB 1.854 39.722 38.000 -0.220 0.000 1.266 300 I HN 0.586 nan 8.210 nan 0.000 0.434 301 N N 4.654 123.193 118.700 -0.269 0.000 2.404 301 N HA 0.649 5.399 4.740 0.017 0.000 0.297 301 N C -0.967 174.382 175.510 -0.269 0.000 1.163 301 N CA -0.806 52.105 53.050 -0.232 0.000 0.864 301 N CB 2.553 40.969 38.487 -0.119 0.000 1.247 301 N HN 0.443 nan 8.380 nan 0.000 0.510 302 R N 1.035 121.382 120.500 -0.254 0.000 2.584 302 R HA 0.380 4.730 4.340 0.017 0.000 0.276 302 R C -1.955 174.216 176.300 -0.215 0.000 1.046 302 R CA -0.671 55.239 56.100 -0.317 0.000 0.906 302 R CB 0.421 30.480 30.300 -0.401 0.000 1.215 302 R HN 0.611 nan 8.270 nan 0.000 0.449 303 Y N 0.924 121.010 120.300 -0.357 0.000 2.588 303 Y HA 0.750 5.310 4.550 0.017 0.000 0.343 303 Y C -1.771 173.918 175.900 -0.351 0.000 1.065 303 Y CA -1.307 56.660 58.100 -0.222 0.000 1.038 303 Y CB 1.333 39.761 38.460 -0.054 0.000 1.297 303 Y HN 0.470 nan 8.280 nan 0.000 0.467 304 Y N 0.641 121.148 120.300 0.346 0.000 2.536 304 Y HA 0.753 5.313 4.550 0.017 0.000 0.347 304 Y C -0.948 175.159 175.900 0.346 0.000 1.000 304 Y CA -1.532 56.717 58.100 0.248 0.000 1.051 304 Y CB 2.419 41.077 38.460 0.330 0.000 1.259 304 Y HN 0.563 nan 8.280 nan 0.000 0.468 305 V N 2.122 122.253 119.914 0.361 0.000 2.577 305 V HA 0.494 4.624 4.120 0.017 0.000 0.303 305 V C -0.990 175.238 176.094 0.223 0.000 1.042 305 V CA -0.840 61.624 62.300 0.274 0.000 0.872 305 V CB 1.688 33.618 31.823 0.177 0.000 0.998 305 V HN 0.788 nan 8.190 nan 0.000 0.423 306 Q N 3.191 123.144 119.800 0.254 0.000 2.285 306 Q HA 0.441 4.791 4.340 0.017 0.000 0.269 306 Q C -0.047 176.044 176.000 0.151 0.000 1.030 306 Q CA -0.492 55.423 55.803 0.186 0.000 0.788 306 Q CB 1.385 30.236 28.738 0.188 0.000 1.266 306 Q HN 0.858 nan 8.270 nan 0.000 0.438 307 N N 2.792 121.546 118.700 0.089 0.000 2.721 307 N HA -0.285 4.465 4.740 0.017 0.000 0.249 307 N C 0.412 175.951 175.510 0.049 0.000 1.072 307 N CA 0.466 53.554 53.050 0.063 0.000 0.710 307 N CB -0.985 37.543 38.487 0.067 0.000 0.993 307 N HN 1.060 nan 8.380 nan 0.000 0.547 308 G N -2.149 106.676 108.800 0.042 0.000 2.162 308 G HA2 -0.320 3.650 3.960 0.017 0.000 0.260 308 G HA3 -0.320 3.650 3.960 0.017 0.000 0.260 308 G C 0.063 174.950 174.900 -0.022 0.000 0.976 308 G CA 0.387 45.496 45.100 0.015 0.000 0.655 308 G HN 0.424 nan 8.290 nan 0.000 0.533 309 V N 1.171 121.064 119.914 -0.034 0.000 2.435 309 V HA 0.631 4.761 4.120 0.017 0.000 0.290 309 V C 0.566 176.456 176.094 -0.340 0.000 1.030 309 V CA -0.212 61.965 62.300 -0.206 0.000 0.881 309 V CB 1.767 33.454 31.823 -0.227 0.000 0.983 309 V HN 0.258 nan 8.190 nan 0.000 0.445 310 T N 5.685 120.000 114.554 -0.398 0.000 2.837 310 T HA 0.672 5.032 4.350 0.017 0.000 0.285 310 T C -0.767 173.665 174.700 -0.446 0.000 0.984 310 T CA 0.099 62.048 62.100 -0.251 0.000 1.049 310 T CB 0.354 69.123 68.868 -0.164 0.000 0.947 310 T HN 0.353 nan 8.240 nan 0.000 0.472 311 F N 1.789 121.900 119.950 0.267 0.000 2.539 311 F HA 0.429 4.966 4.527 0.016 0.000 0.328 311 F C 0.304 176.332 175.800 0.380 0.000 1.148 311 F CA -1.247 56.946 58.000 0.321 0.000 0.940 311 F CB 1.802 41.076 39.000 0.457 0.000 1.194 311 F HN 0.350 nan 8.300 nan 0.000 0.438 312 Q N 1.543 121.566 119.800 0.372 0.000 2.443 312 Q HA 0.177 4.527 4.340 0.017 0.000 0.232 312 Q C -0.189 175.973 176.000 0.270 0.000 1.026 312 Q CA -0.316 55.644 55.803 0.261 0.000 0.924 312 Q CB 0.704 29.509 28.738 0.113 0.000 1.256 312 Q HN 0.577 nan 8.270 nan 0.000 0.519 313 Q N 3.271 123.150 119.800 0.132 0.000 2.269 313 Q HA 0.100 4.450 4.340 0.017 0.000 0.300 313 Q C -2.165 173.801 176.000 -0.057 0.000 1.070 313 Q CA -0.841 54.982 55.803 0.034 0.000 0.957 313 Q CB 0.450 29.030 28.738 -0.263 0.000 1.131 313 Q HN 0.372 nan 8.270 nan 0.000 0.377 314 P HA -0.041 nan 4.420 nan 0.000 0.269 314 P C -0.853 176.496 177.300 0.081 0.000 1.209 314 P CA -0.038 62.968 63.100 -0.156 0.000 0.776 314 P CB 0.559 32.005 31.700 -0.424 0.000 0.876 315 N N 0.325 119.074 118.700 0.081 0.000 2.454 315 N HA 0.335 5.085 4.740 0.017 0.000 0.254 315 N C -0.227 175.376 175.510 0.154 0.000 1.228 315 N CA 0.541 53.672 53.050 0.136 0.000 0.900 315 N CB 0.101 38.627 38.487 0.065 0.000 1.089 315 N HN 0.460 nan 8.380 nan 0.000 0.449 316 A N 1.527 124.470 122.820 0.205 0.000 2.414 316 A HA 0.565 4.895 4.320 0.017 0.000 0.306 316 A C -0.987 176.667 177.584 0.117 0.000 1.054 316 A CA -0.682 51.433 52.037 0.129 0.000 0.724 316 A CB 1.102 20.111 19.000 0.016 0.000 1.267 316 A HN 0.668 nan 8.150 nan 0.000 0.418 317 E N 0.538 120.779 120.200 0.068 0.000 2.191 317 E HA 0.516 4.876 4.350 0.017 0.000 0.263 317 E C -1.765 174.871 176.600 0.060 0.000 0.881 317 E CA -0.533 55.896 56.400 0.049 0.000 0.757 317 E CB 2.260 31.966 29.700 0.010 0.000 1.147 317 E HN 0.384 nan 8.360 nan 0.000 0.414 318 L N 3.536 124.815 121.223 0.094 0.000 2.529 318 L HA 0.488 4.838 4.340 0.017 0.000 0.260 318 L C 0.307 177.170 176.870 -0.013 0.000 0.997 318 L CA 0.499 55.334 54.840 -0.009 0.000 0.885 318 L CB 0.841 42.837 42.059 -0.104 0.000 1.185 318 L HN 0.714 nan 8.230 nan 0.000 0.442 319 G N 3.318 112.103 108.800 -0.026 0.000 2.561 319 G HA2 -0.389 3.581 3.960 0.017 0.000 0.289 319 G HA3 -0.389 3.581 3.960 0.017 0.000 0.289 319 G C 0.772 175.677 174.900 0.008 0.000 1.169 319 G CA 0.729 45.816 45.100 -0.021 0.000 0.980 319 G HN 1.402 nan 8.290 nan 0.000 0.550 320 S N -0.557 115.154 115.700 0.019 0.000 2.603 320 S HA 0.337 4.817 4.470 0.017 0.000 0.220 320 S C 0.648 175.289 174.600 0.068 0.000 0.967 320 S CA 1.113 59.332 58.200 0.031 0.000 0.920 320 S CB 0.058 63.274 63.200 0.026 0.000 0.773 320 S HN 1.156 nan 8.310 nan 0.000 0.529 321 Y N 1.921 122.208 120.300 -0.021 0.000 2.334 321 Y HA 0.616 5.177 4.550 0.018 0.000 0.328 321 Y C -0.235 175.685 175.900 0.032 0.000 1.130 321 Y CA -0.644 57.467 58.100 0.018 0.000 1.163 321 Y CB 1.532 40.011 38.460 0.032 0.000 1.207 321 Y HN 0.117 nan 8.280 nan 0.000 0.471 322 S N 3.674 118.875 115.700 -0.832 0.000 2.572 322 S HA 0.816 5.296 4.470 0.017 0.000 0.274 322 S C -0.690 173.424 174.600 -0.810 0.000 1.150 322 S CA 0.270 58.118 58.200 -0.587 0.000 0.944 322 S CB 0.776 63.829 63.200 -0.245 0.000 1.071 322 S HN 1.561 nan 8.310 nan 0.000 0.479 323 G N 3.304 111.843 108.800 -0.436 0.000 2.369 323 G HA2 0.147 4.117 3.960 0.017 0.000 0.293 323 G HA3 0.147 4.117 3.960 0.017 0.000 0.293 323 G C -0.917 174.146 174.900 0.272 0.000 1.301 323 G CA -0.025 45.001 45.100 -0.124 0.000 0.913 323 G HN 1.014 nan 8.290 nan 0.000 0.540 324 N N -0.811 118.024 118.700 0.224 0.000 2.194 324 N HA 0.221 4.971 4.740 0.017 0.000 0.231 324 N C -0.006 175.363 175.510 -0.235 0.000 1.247 324 N CA 0.254 53.372 53.050 0.113 0.000 0.884 324 N CB 1.258 39.754 38.487 0.014 0.000 1.146 324 N HN 0.737 nan 8.380 nan 0.000 0.516 325 E N 0.977 121.185 120.200 0.012 0.000 2.166 325 E HA 0.238 4.598 4.350 0.017 0.000 0.275 325 E C -1.080 175.488 176.600 -0.052 0.000 0.941 325 E CA -0.835 55.504 56.400 -0.101 0.000 0.784 325 E CB 1.238 30.965 29.700 0.045 0.000 1.115 325 E HN 0.236 nan 8.360 nan 0.000 0.399 326 L N 5.863 126.945 121.223 -0.235 0.000 2.363 326 L HA 0.211 4.561 4.340 0.017 0.000 0.286 326 L C -0.934 175.987 176.870 0.084 0.000 1.106 326 L CA -0.115 54.695 54.840 -0.051 0.000 0.859 326 L CB -0.433 41.556 42.059 -0.117 0.000 1.223 326 L HN 0.586 nan 8.230 nan 0.000 0.446 327 N N 0.825 119.631 118.700 0.175 0.000 3.038 327 N HA 0.296 5.046 4.740 0.017 0.000 0.307 327 N C 0.161 175.778 175.510 0.179 0.000 1.441 327 N CA -0.814 52.342 53.050 0.176 0.000 0.772 327 N CB 0.419 39.018 38.487 0.186 0.000 1.651 327 N HN 0.118 nan 8.380 nan 0.000 0.593 328 D N -0.476 120.023 120.400 0.166 0.000 2.123 328 D HA -0.131 4.519 4.640 0.017 0.000 0.196 328 D C 0.625 176.981 176.300 0.094 0.000 0.992 328 D CA 1.372 55.459 54.000 0.145 0.000 0.833 328 D CB -0.226 40.649 40.800 0.125 0.000 0.954 328 D HN 0.525 nan 8.370 nan 0.000 0.455 329 D N -0.734 119.738 120.400 0.120 0.000 2.117 329 D HA -0.164 4.486 4.640 0.017 0.000 0.197 329 D C 1.931 178.211 176.300 -0.033 0.000 0.987 329 D CA 0.596 54.667 54.000 0.118 0.000 0.829 329 D CB -0.443 40.518 40.800 0.268 0.000 0.961 329 D HN 0.306 nan 8.370 nan 0.000 0.460 330 Y N 1.424 121.529 120.300 -0.325 0.000 2.114 330 Y HA -0.254 4.305 4.550 0.016 0.000 0.284 330 Y C 2.379 178.033 175.900 -0.411 0.000 1.143 330 Y CA 1.215 58.849 58.100 -0.777 0.000 1.135 330 Y CB -0.607 37.368 38.460 -0.807 0.000 0.980 330 Y HN -0.011 nan 8.280 nan 0.000 0.499 331 c N -0.128 118.231 118.600 -0.402 0.000 2.422 331 c HA -0.159 4.421 4.570 0.017 0.000 0.279 331 c C 2.617 176.518 174.090 -0.315 0.000 1.305 331 c CA 1.696 57.766 56.329 -0.430 0.000 1.757 331 c CB -1.495 40.913 42.510 -0.170 0.000 1.962 331 c HN 0.659 nan 8.230 nan 0.000 0.499 332 T N 1.095 115.536 114.554 -0.188 0.000 2.812 332 T HA -0.039 4.321 4.350 0.017 0.000 0.264 332 T C 2.175 176.753 174.700 -0.204 0.000 1.042 332 T CA 1.518 63.544 62.100 -0.123 0.000 1.140 332 T CB -0.337 68.505 68.868 -0.043 0.000 0.870 332 T HN 0.629 nan 8.240 nan 0.000 0.445 333 A N 1.314 123.966 122.820 -0.280 0.000 1.930 333 A HA -0.098 4.232 4.320 0.017 0.000 0.217 333 A C 2.195 179.498 177.584 -0.467 0.000 1.175 333 A CA 1.716 53.575 52.037 -0.297 0.000 0.627 333 A CB -0.530 18.329 19.000 -0.235 0.000 0.815 333 A HN 0.589 nan 8.150 nan 0.000 0.443 334 E N -0.086 119.691 120.200 -0.705 0.000 2.051 334 E HA -0.219 4.141 4.350 0.017 0.000 0.192 334 E C 1.904 178.220 176.600 -0.474 0.000 0.991 334 E CA 1.354 57.260 56.400 -0.823 0.000 0.799 334 E CB -0.143 28.980 29.700 -0.962 0.000 0.748 334 E HN 0.735 nan 8.360 nan 0.000 0.449 335 E N -0.109 119.905 120.200 -0.311 0.000 2.110 335 E HA -0.174 4.186 4.350 0.017 0.000 0.193 335 E C 1.977 178.503 176.600 -0.123 0.000 0.988 335 E CA 0.780 57.087 56.400 -0.155 0.000 0.804 335 E CB -0.073 29.568 29.700 -0.098 0.000 0.745 335 E HN 0.321 nan 8.360 nan 0.000 0.458 336 A N 0.988 123.716 122.820 -0.153 0.000 1.930 336 A HA -0.182 4.148 4.320 0.017 0.000 0.217 336 A C 1.872 179.400 177.584 -0.092 0.000 1.175 336 A CA 1.379 53.352 52.037 -0.106 0.000 0.627 336 A CB -0.105 18.833 19.000 -0.102 0.000 0.815 336 A HN 0.032 nan 8.150 nan 0.000 0.443 337 E N -1.412 118.689 120.200 -0.164 0.000 2.127 337 E HA 0.137 4.497 4.350 0.017 0.000 0.191 337 E C 1.221 177.905 176.600 0.140 0.000 0.964 337 E CA 0.672 57.017 56.400 -0.092 0.000 0.832 337 E CB -0.108 29.442 29.700 -0.251 0.000 0.790 337 E HN 0.541 nan 8.360 nan 0.000 0.465 338 F N -0.320 119.583 119.950 -0.078 0.000 2.714 338 F HA 0.446 4.982 4.527 0.015 0.000 0.294 338 F C 1.214 176.987 175.800 -0.045 0.000 1.120 338 F CA 0.659 58.626 58.000 -0.056 0.000 1.398 338 F CB -0.166 38.797 39.000 -0.062 0.000 1.120 338 F HN 0.004 nan 8.300 nan 0.000 0.589 339 G N -0.440 108.424 108.800 0.107 0.000 2.663 339 G HA2 0.444 4.414 3.960 0.017 0.000 0.686 339 G HA3 0.444 4.414 3.960 0.017 0.000 0.686 339 G C -0.135 174.768 174.900 0.006 0.000 1.288 339 G CA -0.328 44.796 45.100 0.040 0.000 0.836 339 G HN 1.156 nan 8.290 nan 0.000 0.584 340 G N -1.901 106.872 108.800 -0.044 0.000 2.663 340 G HA2 0.498 4.468 3.960 0.017 0.000 0.686 340 G HA3 0.498 4.468 3.960 0.017 0.000 0.686 340 G C 0.525 175.355 174.900 -0.116 0.000 1.246 340 G CA 0.789 45.820 45.100 -0.115 0.000 0.795 340 G HN 2.594 nan 8.290 nan 0.000 0.627 341 S N -1.414 114.178 115.700 -0.180 0.000 2.904 341 S HA 0.433 4.913 4.470 0.017 0.000 0.260 341 S C 1.712 176.253 174.600 -0.099 0.000 1.000 341 S CA 1.239 59.373 58.200 -0.111 0.000 1.274 341 S CB 0.674 63.813 63.200 -0.101 0.000 1.196 341 S HN 1.747 nan 8.310 nan 0.000 0.678 342 S N 1.466 117.072 115.700 -0.157 0.000 2.353 342 S HA -0.078 4.402 4.470 0.017 0.000 0.222 342 S C 1.393 176.040 174.600 0.077 0.000 1.035 342 S CA 1.638 59.809 58.200 -0.048 0.000 1.025 342 S CB -0.611 62.589 63.200 -0.000 0.000 0.902 342 S HN 0.570 nan 8.310 nan 0.000 0.440 343 F N 2.571 122.497 119.950 -0.040 0.000 2.075 343 F HA -0.118 4.423 4.527 0.023 0.000 0.297 343 F C 2.724 178.515 175.800 -0.016 0.000 1.113 343 F CA 2.127 60.111 58.000 -0.026 0.000 1.218 343 F CB -0.863 38.102 39.000 -0.058 0.000 0.984 343 F HN 0.395 nan 8.300 nan 0.000 0.472 344 S N -0.846 114.877 115.700 0.038 0.000 2.383 344 S HA -0.180 4.300 4.470 0.017 0.000 0.227 344 S C 1.769 176.320 174.600 -0.082 0.000 1.026 344 S CA 1.307 59.475 58.200 -0.054 0.000 0.981 344 S CB -0.721 62.491 63.200 0.021 0.000 0.818 344 S HN 0.424 nan 8.310 nan 0.000 0.472 345 D N 1.432 121.802 120.400 -0.051 0.000 2.264 345 D HA 0.051 4.701 4.640 0.017 0.000 0.208 345 D C 1.371 177.643 176.300 -0.047 0.000 0.966 345 D CA 0.871 54.847 54.000 -0.040 0.000 0.864 345 D CB -0.112 40.674 40.800 -0.023 0.000 0.933 345 D HN 0.309 nan 8.370 nan 0.000 0.499 346 K N -0.663 119.692 120.400 -0.076 0.000 2.444 346 K HA 0.197 4.527 4.320 0.017 0.000 0.193 346 K C 1.080 177.610 176.600 -0.117 0.000 1.024 346 K CA 0.386 56.629 56.287 -0.072 0.000 1.077 346 K CB 0.465 32.940 32.500 -0.041 0.000 0.833 346 K HN 0.135 nan 8.250 nan 0.000 0.517 347 G N -1.225 107.481 108.800 -0.157 0.000 2.201 347 G HA2 -0.165 3.805 3.960 0.017 0.000 0.212 347 G HA3 -0.165 3.805 3.960 0.017 0.000 0.212 347 G C 0.670 175.432 174.900 -0.230 0.000 0.994 347 G CA -0.041 44.973 45.100 -0.143 0.000 0.644 347 G HN 0.655 nan 8.290 nan 0.000 0.508 348 G N -0.143 108.339 108.800 -0.530 0.000 2.575 348 G HA2 -0.217 3.753 3.960 0.017 0.000 0.267 348 G HA3 -0.217 3.753 3.960 0.017 0.000 0.267 348 G C 1.076 175.736 174.900 -0.400 0.000 1.264 348 G CA 0.494 45.091 45.100 -0.838 0.000 0.935 348 G HN 1.186 nan 8.290 nan 0.000 0.568 349 L N 0.490 121.718 121.223 0.007 0.000 2.275 349 L HA -0.031 4.319 4.340 0.017 0.000 0.215 349 L C 3.252 180.230 176.870 0.181 0.000 1.119 349 L CA 1.918 56.900 54.840 0.237 0.000 0.790 349 L CB -0.731 41.508 42.059 0.300 0.000 0.919 349 L HN 0.709 nan 8.230 nan 0.000 0.443 350 T N -1.214 113.390 114.554 0.084 0.000 2.737 350 T HA -0.234 4.126 4.350 0.017 0.000 0.265 350 T C 1.823 176.551 174.700 0.046 0.000 1.038 350 T CA 1.356 63.493 62.100 0.061 0.000 1.144 350 T CB -0.077 68.811 68.868 0.032 0.000 0.866 350 T HN 0.191 nan 8.240 nan 0.000 0.434 351 Q N 0.432 120.245 119.800 0.021 0.000 2.119 351 Q HA 0.007 4.357 4.340 0.017 0.000 0.201 351 Q C 1.792 177.828 176.000 0.060 0.000 0.972 351 Q CA 1.332 57.145 55.803 0.017 0.000 0.847 351 Q CB -0.716 28.013 28.738 -0.016 0.000 0.903 351 Q HN 0.503 nan 8.270 nan 0.000 0.433 352 F N 0.769 120.707 119.950 -0.020 0.000 2.293 352 F HA -0.028 4.506 4.527 0.013 0.000 0.300 352 F C 1.898 177.729 175.800 0.051 0.000 1.086 352 F CA 1.324 59.347 58.000 0.038 0.000 1.375 352 F CB -0.040 39.023 39.000 0.105 0.000 1.045 352 F HN 0.069 nan 8.300 nan 0.000 0.516 353 K N 0.350 120.766 120.400 0.028 0.000 2.209 353 K HA -0.173 4.157 4.320 0.017 0.000 0.204 353 K C 1.960 178.489 176.600 -0.119 0.000 1.048 353 K CA 1.197 57.465 56.287 -0.031 0.000 0.940 353 K CB 0.000 32.532 32.500 0.053 0.000 0.729 353 K HN 0.229 nan 8.250 nan 0.000 0.451 354 K N -0.325 120.008 120.400 -0.113 0.000 2.148 354 K HA -0.097 4.233 4.320 0.017 0.000 0.204 354 K C 2.025 178.521 176.600 -0.173 0.000 1.050 354 K CA 1.105 57.327 56.287 -0.108 0.000 0.942 354 K CB -0.019 32.440 32.500 -0.069 0.000 0.724 354 K HN 0.146 nan 8.250 nan 0.000 0.446 355 A N 1.338 123.978 122.820 -0.300 0.000 1.872 355 A HA -0.129 4.201 4.320 0.017 0.000 0.214 355 A C 2.289 179.649 177.584 -0.373 0.000 1.187 355 A CA 1.963 53.785 52.037 -0.358 0.000 0.614 355 A CB -1.005 17.674 19.000 -0.534 0.000 0.826 355 A HN 0.427 nan 8.150 nan 0.000 0.442 356 T N -2.817 111.452 114.554 -0.475 0.000 3.007 356 T HA -0.039 4.321 4.350 0.017 0.000 0.270 356 T C 1.783 176.356 174.700 -0.212 0.000 1.107 356 T CA 1.584 63.461 62.100 -0.372 0.000 1.118 356 T CB -0.315 68.347 68.868 -0.343 0.000 0.889 356 T HN 0.226 nan 8.240 nan 0.000 0.506 357 S N 0.852 116.458 115.700 -0.157 0.000 2.461 357 S HA 0.314 4.794 4.470 0.017 0.000 0.228 357 S C 1.427 175.979 174.600 -0.079 0.000 1.005 357 S CA 0.345 58.493 58.200 -0.086 0.000 0.942 357 S CB -0.302 62.860 63.200 -0.062 0.000 0.776 357 S HN 0.844 nan 8.310 nan 0.000 0.514 358 G N 0.181 108.917 108.800 -0.107 0.000 2.583 358 G HA2 0.587 4.557 3.960 0.017 0.000 0.280 358 G HA3 0.587 4.557 3.960 0.017 0.000 0.280 358 G C -0.063 174.785 174.900 -0.087 0.000 1.376 358 G CA -0.422 44.629 45.100 -0.083 0.000 1.043 358 G HN 0.350 nan 8.290 nan 0.000 0.538 359 G N -1.085 107.677 108.800 -0.064 0.000 2.395 359 G HA2 0.527 4.497 3.960 0.017 0.000 0.283 359 G HA3 0.527 4.497 3.960 0.017 0.000 0.283 359 G C -0.557 174.313 174.900 -0.050 0.000 1.178 359 G CA -0.462 44.607 45.100 -0.051 0.000 0.837 359 G HN 0.416 nan 8.290 nan 0.000 0.518 360 M N 1.169 120.756 119.600 -0.021 0.000 2.446 360 M HA 0.305 4.795 4.480 0.017 0.000 0.294 360 M C -0.758 175.650 176.300 0.181 0.000 1.158 360 M CA -0.804 54.517 55.300 0.034 0.000 0.899 360 M CB 2.888 35.472 32.600 -0.027 0.000 1.687 360 M HN 0.195 nan 8.290 nan 0.000 0.455 361 V N 2.924 122.893 119.914 0.093 0.000 2.509 361 V HA 0.323 4.453 4.120 0.017 0.000 0.284 361 V C -0.445 175.560 176.094 -0.149 0.000 1.047 361 V CA -0.800 61.500 62.300 0.001 0.000 0.952 361 V CB 1.551 33.221 31.823 -0.255 0.000 0.988 361 V HN 0.635 nan 8.190 nan 0.000 0.469 362 L N 6.745 127.773 121.223 -0.326 0.000 2.331 362 L HA 0.496 4.846 4.340 0.017 0.000 0.278 362 L C -0.292 176.196 176.870 -0.637 0.000 1.106 362 L CA 0.623 54.906 54.840 -0.929 0.000 0.824 362 L CB 1.109 42.603 42.059 -0.942 0.000 1.142 362 L HN 0.451 nan 8.230 nan 0.000 0.443 363 V N 6.324 125.732 119.914 -0.843 0.000 2.604 363 V HA 0.554 4.684 4.120 0.017 0.000 0.305 363 V C -0.067 175.557 176.094 -0.783 0.000 1.043 363 V CA -0.599 61.233 62.300 -0.779 0.000 0.888 363 V CB 1.700 32.844 31.823 -1.132 0.000 0.995 363 V HN 0.793 nan 8.190 nan 0.000 0.429 364 M N 4.202 123.457 119.600 -0.575 0.000 2.259 364 M HA 0.660 5.150 4.480 0.017 0.000 0.304 364 M C -0.500 175.702 176.300 -0.162 0.000 1.019 364 M CA -0.161 54.892 55.300 -0.412 0.000 0.922 364 M CB 2.319 34.650 32.600 -0.450 0.000 1.600 364 M HN 0.862 nan 8.290 nan 0.000 0.433 365 S N 2.837 118.608 115.700 0.119 0.000 2.638 365 S HA 0.898 5.378 4.470 0.017 0.000 0.274 365 S C -1.738 173.107 174.600 0.408 0.000 1.157 365 S CA -0.920 57.405 58.200 0.208 0.000 0.826 365 S CB 2.339 65.678 63.200 0.231 0.000 1.139 365 S HN 0.647 nan 8.310 nan 0.000 0.474 366 L N 2.423 123.884 121.223 0.396 0.000 2.439 366 L HA 0.838 5.188 4.340 0.017 0.000 0.270 366 L C -1.619 175.593 176.870 0.571 0.000 0.972 366 L CA -0.169 54.908 54.840 0.396 0.000 0.836 366 L CB 1.504 43.733 42.059 0.284 0.000 1.255 366 L HN 0.964 nan 8.230 nan 0.000 0.404 367 W N 3.224 124.677 121.300 0.254 0.000 3.137 367 W HA 0.622 5.294 4.660 0.020 0.000 0.324 367 W C -1.570 175.104 176.519 0.259 0.000 1.253 367 W CA -0.864 56.681 57.345 0.334 0.000 1.183 367 W CB 0.846 30.506 29.460 0.333 0.000 1.424 367 W HN 0.629 nan 8.180 nan 0.000 0.566 368 D N 0.052 120.782 120.400 0.550 0.000 2.340 368 D HA 0.367 5.017 4.640 0.017 0.000 0.243 368 D C -1.244 175.360 176.300 0.507 0.000 0.988 368 D CA -0.498 53.668 54.000 0.276 0.000 0.959 368 D CB 1.755 42.728 40.800 0.288 0.000 1.226 368 D HN 0.167 nan 8.370 nan 0.000 0.509 369 D N -0.379 120.192 120.400 0.286 0.000 2.441 369 D HA 0.155 4.805 4.640 0.017 0.000 0.231 369 D C -0.360 176.126 176.300 0.310 0.000 1.073 369 D CA -0.607 53.678 54.000 0.474 0.000 0.850 369 D CB 0.224 41.258 40.800 0.389 0.000 1.062 369 D HN 0.290 nan 8.370 nan 0.000 0.524 370 Y N 2.357 122.865 120.300 0.347 0.000 2.509 370 Y HA -0.063 4.496 4.550 0.016 0.000 0.293 370 Y C 1.389 177.469 175.900 0.300 0.000 1.133 370 Y CA 0.660 58.925 58.100 0.274 0.000 1.283 370 Y CB -0.197 38.411 38.460 0.247 0.000 1.001 370 Y HN 0.564 nan 8.280 nan 0.000 0.555 371 Y N -0.528 119.976 120.300 0.340 0.000 2.230 371 Y HA 0.256 4.819 4.550 0.021 0.000 0.294 371 Y C 1.924 177.920 175.900 0.160 0.000 1.120 371 Y CA 1.083 59.311 58.100 0.214 0.000 1.129 371 Y CB -0.159 38.332 38.460 0.051 0.000 1.040 371 Y HN -0.135 nan 8.280 nan 0.000 0.519 372 A N -0.428 122.442 122.820 0.083 0.000 2.589 372 A HA 0.257 4.587 4.320 0.017 0.000 0.283 372 A C 0.374 177.979 177.584 0.036 0.000 1.187 372 A CA 0.182 52.209 52.037 -0.016 0.000 0.957 372 A CB -0.856 18.162 19.000 0.029 0.000 1.175 372 A HN 0.616 nan 8.150 nan 0.000 0.532 373 N N -1.471 117.254 118.700 0.041 0.000 2.681 373 N HA -0.298 4.452 4.740 0.017 0.000 0.250 373 N C 0.459 175.889 175.510 -0.132 0.000 1.133 373 N CA 0.584 53.610 53.050 -0.040 0.000 0.732 373 N CB -0.821 37.629 38.487 -0.063 0.000 1.107 373 N HN 0.537 nan 8.380 nan 0.000 0.559 374 M N -1.774 117.742 119.600 -0.140 0.000 2.899 374 M HA -0.221 4.269 4.480 0.017 0.000 0.195 374 M C 0.675 176.546 176.300 -0.715 0.000 0.603 374 M CA 0.711 55.687 55.300 -0.539 0.000 0.712 374 M CB -1.236 31.039 32.600 -0.542 0.000 2.569 374 M HN 0.384 nan 8.290 nan 0.000 0.406 375 L N -0.780 120.195 121.223 -0.412 0.000 2.141 375 L HA -0.157 4.193 4.340 0.017 0.000 0.209 375 L C 2.275 178.935 176.870 -0.351 0.000 1.094 375 L CA 1.864 56.532 54.840 -0.288 0.000 0.763 375 L CB -0.828 41.219 42.059 -0.020 0.000 0.908 375 L HN 0.808 nan 8.230 nan 0.000 0.437 376 W N -0.051 120.975 121.300 -0.456 0.000 2.392 376 W HA -0.167 4.507 4.660 0.022 0.000 0.279 376 W C 1.847 178.261 176.519 -0.175 0.000 1.225 376 W CA 0.416 57.530 57.345 -0.386 0.000 1.233 376 W CB -0.642 28.527 29.460 -0.486 0.000 1.122 376 W HN 0.189 nan 8.180 nan 0.000 0.561 377 L N 2.422 122.939 121.223 -1.177 0.000 2.221 377 L HA 0.054 4.404 4.340 0.017 0.000 0.202 377 L C 1.240 177.773 176.870 -0.560 0.000 1.074 377 L CA 2.484 56.732 54.840 -0.986 0.000 0.795 377 L CB -0.633 40.527 42.059 -1.498 0.000 0.960 377 L HN -0.047 nan 8.230 nan 0.000 0.458 378 D N -2.297 117.780 120.400 -0.540 0.000 2.563 378 D HA 0.246 4.896 4.640 0.017 0.000 0.237 378 D C 0.523 176.624 176.300 -0.331 0.000 1.282 378 D CA 0.194 53.946 54.000 -0.413 0.000 0.816 378 D CB 0.225 40.783 40.800 -0.402 0.000 1.066 378 D HN 0.171 nan 8.370 nan 0.000 0.501 379 S N -1.263 114.285 115.700 -0.254 0.000 3.359 379 S HA 0.623 5.103 4.470 0.017 0.000 0.323 379 S C -1.097 173.458 174.600 -0.074 0.000 1.143 379 S CA -0.521 57.584 58.200 -0.160 0.000 0.989 379 S CB 0.755 63.880 63.200 -0.125 0.000 1.375 379 S HN -0.003 nan 8.310 nan 0.000 0.728 380 T N 1.836 116.381 114.554 -0.015 0.000 2.749 380 T HA 0.557 4.917 4.350 0.017 0.000 0.287 380 T C -1.718 173.045 174.700 0.105 0.000 0.970 380 T CA 0.119 62.234 62.100 0.025 0.000 0.980 380 T CB 0.371 69.242 68.868 0.004 0.000 0.924 380 T HN 0.426 nan 8.240 nan 0.000 0.456 381 Y N 4.470 124.750 120.300 -0.033 0.000 2.396 381 Y HA 0.441 5.000 4.550 0.016 0.000 0.332 381 Y C -2.791 173.110 175.900 0.001 0.000 1.034 381 Y CA -2.478 55.622 58.100 -0.000 0.000 1.057 381 Y CB 1.714 40.204 38.460 0.049 0.000 1.220 381 Y HN 0.454 nan 8.280 nan 0.000 0.440 382 P HA 0.091 nan 4.420 nan 0.000 0.272 382 P C 0.610 177.771 177.300 -0.231 0.000 1.230 382 P CA 0.227 62.938 63.100 -0.647 0.000 0.788 382 P CB 0.792 32.203 31.700 -0.483 0.000 0.949 383 T N -2.447 112.019 114.554 -0.146 0.000 3.051 383 T HA -0.133 4.227 4.350 0.017 0.000 0.269 383 T C 1.097 175.763 174.700 -0.056 0.000 1.127 383 T CA 0.988 63.056 62.100 -0.053 0.000 1.107 383 T CB -0.860 67.998 68.868 -0.018 0.000 0.898 383 T HN 0.444 nan 8.240 nan 0.000 0.517 384 N N 0.664 119.317 118.700 -0.079 0.000 2.412 384 N HA -0.001 4.749 4.740 0.017 0.000 0.184 384 N C 0.165 175.642 175.510 -0.054 0.000 1.101 384 N CA 0.091 53.105 53.050 -0.059 0.000 0.881 384 N CB -0.065 38.386 38.487 -0.060 0.000 0.969 384 N HN 0.332 nan 8.380 nan 0.000 0.459 385 E N 0.846 121.007 120.200 -0.065 0.000 2.345 385 E HA 0.217 4.577 4.350 0.017 0.000 0.259 385 E C 0.289 176.867 176.600 -0.036 0.000 1.117 385 E CA -0.061 56.307 56.400 -0.054 0.000 0.913 385 E CB 1.072 30.731 29.700 -0.069 0.000 1.057 385 E HN 0.393 nan 8.360 nan 0.000 0.432 386 T N -3.029 111.507 114.554 -0.029 0.000 2.940 386 T HA 0.246 4.606 4.350 0.017 0.000 0.288 386 T C 1.165 175.856 174.700 -0.016 0.000 1.045 386 T CA -0.306 61.783 62.100 -0.018 0.000 1.018 386 T CB 1.094 69.954 68.868 -0.014 0.000 1.151 386 T HN 0.302 nan 8.240 nan 0.000 0.529 387 S N 0.361 116.058 115.700 -0.005 0.000 2.442 387 S HA -0.144 4.336 4.470 0.017 0.000 0.236 387 S C 2.010 176.607 174.600 -0.005 0.000 1.007 387 S CA 1.042 59.243 58.200 0.001 0.000 0.965 387 S CB -1.093 62.114 63.200 0.012 0.000 0.773 387 S HN 0.950 nan 8.310 nan 0.000 0.504 388 S N 0.637 116.333 115.700 -0.006 0.000 2.522 388 S HA 0.040 4.520 4.470 0.017 0.000 0.227 388 S C 0.670 175.266 174.600 -0.006 0.000 0.986 388 S CA 0.146 58.344 58.200 -0.003 0.000 0.929 388 S CB -0.850 62.348 63.200 -0.002 0.000 0.769 388 S HN 0.434 nan 8.310 nan 0.000 0.529 389 T N 4.829 119.370 114.554 -0.020 0.000 2.794 389 T HA 0.388 4.748 4.350 0.017 0.000 0.296 389 T C -2.763 171.904 174.700 -0.054 0.000 0.949 389 T CA -1.161 60.921 62.100 -0.030 0.000 1.101 389 T CB 1.019 69.860 68.868 -0.045 0.000 0.905 389 T HN 0.129 nan 8.240 nan 0.000 0.516 390 P HA 0.204 nan 4.420 nan 0.000 0.261 390 P C 1.034 178.078 177.300 -0.428 0.000 1.203 390 P CA 0.751 63.848 63.100 -0.005 0.000 0.767 390 P CB 0.154 31.987 31.700 0.222 0.000 0.785 391 G N 3.339 111.697 108.800 -0.737 0.000 2.162 391 G HA2 -0.337 3.633 3.960 0.017 0.000 0.260 391 G HA3 -0.337 3.633 3.960 0.017 0.000 0.260 391 G C 1.127 175.711 174.900 -0.527 0.000 0.976 391 G CA 0.356 44.701 45.100 -1.259 0.000 0.655 391 G HN 0.638 nan 8.290 nan 0.000 0.533 392 A N -0.711 121.943 122.820 -0.276 0.000 1.930 392 A HA 0.456 4.786 4.320 0.017 0.000 0.217 392 A C 1.428 178.979 177.584 -0.055 0.000 1.175 392 A CA 1.728 53.690 52.037 -0.126 0.000 0.627 392 A CB 0.031 18.980 19.000 -0.085 0.000 0.815 392 A HN 1.106 nan 8.150 nan 0.000 0.443 393 V N 0.660 120.554 119.914 -0.033 0.000 2.408 393 V HA 0.262 4.392 4.120 0.017 0.000 0.267 393 V C 0.874 177.019 176.094 0.085 0.000 1.047 393 V CA -0.037 62.290 62.300 0.045 0.000 0.937 393 V CB 0.731 32.623 31.823 0.115 0.000 0.999 393 V HN 0.531 nan 8.190 nan 0.000 0.472 394 R N 2.636 123.136 120.500 0.001 0.000 2.373 394 R HA 0.506 4.856 4.340 0.017 0.000 0.221 394 R C 0.756 176.868 176.300 -0.313 0.000 0.893 394 R CA 0.495 56.570 56.100 -0.041 0.000 1.049 394 R CB 1.085 31.343 30.300 -0.069 0.000 1.119 394 R HN 0.836 nan 8.270 nan 0.000 0.535 395 G N -1.111 107.349 108.800 -0.566 0.000 2.495 395 G HA2 0.196 4.166 3.960 0.017 0.000 0.294 395 G HA3 0.196 4.166 3.960 0.017 0.000 0.294 395 G C -0.334 174.153 174.900 -0.688 0.000 1.397 395 G CA -0.162 44.328 45.100 -1.016 0.000 0.790 395 G HN -0.049 nan 8.290 nan 0.000 0.486 396 S N -1.668 113.721 115.700 -0.519 0.000 2.575 396 S HA 0.138 4.618 4.470 0.017 0.000 0.215 396 S C 0.919 175.442 174.600 -0.128 0.000 0.966 396 S CA 0.029 58.126 58.200 -0.172 0.000 0.911 396 S CB -0.555 62.633 63.200 -0.020 0.000 0.780 396 S HN 0.696 nan 8.310 nan 0.000 0.514 397 c N 2.817 121.310 118.600 -0.180 0.000 2.662 397 c HA 0.523 5.103 4.570 0.017 0.000 0.420 397 c C 1.319 175.346 174.090 -0.105 0.000 1.314 397 c CA -0.507 55.736 56.329 -0.144 0.000 1.963 397 c CB -0.011 42.388 42.510 -0.184 0.000 2.686 397 c HN 0.635 nan 8.230 nan 0.000 0.609 398 S N 1.268 116.920 115.700 -0.080 0.000 2.573 398 S HA 0.056 4.536 4.470 0.017 0.000 0.277 398 S C 1.473 176.037 174.600 -0.059 0.000 1.346 398 S CA 0.250 58.416 58.200 -0.057 0.000 1.034 398 S CB 0.594 63.766 63.200 -0.047 0.000 0.879 398 S HN 0.945 nan 8.310 nan 0.000 0.528 399 T N 0.661 115.191 114.554 -0.039 0.000 3.155 399 T HA -0.042 4.318 4.350 0.017 0.000 0.264 399 T C 1.458 176.141 174.700 -0.028 0.000 1.160 399 T CA 0.912 62.996 62.100 -0.027 0.000 1.075 399 T CB -0.505 68.356 68.868 -0.012 0.000 0.921 399 T HN 0.630 nan 8.240 nan 0.000 0.533 400 S N 0.758 116.436 115.700 -0.036 0.000 2.556 400 S HA 0.227 4.707 4.470 0.017 0.000 0.216 400 S C 1.018 175.589 174.600 -0.048 0.000 0.970 400 S CA -0.251 57.928 58.200 -0.035 0.000 0.912 400 S CB -0.346 62.837 63.200 -0.029 0.000 0.790 400 S HN 0.673 nan 8.310 nan 0.000 0.504 401 S N 0.498 116.159 115.700 -0.065 0.000 2.624 401 S HA 0.595 5.075 4.470 0.017 0.000 0.263 401 S C 1.290 175.832 174.600 -0.096 0.000 1.287 401 S CA 0.117 58.267 58.200 -0.084 0.000 0.990 401 S CB 0.192 63.327 63.200 -0.108 0.000 0.950 401 S HN 1.509 nan 8.310 nan 0.000 0.561 402 G N -0.756 107.979 108.800 -0.108 0.000 2.153 402 G HA2 -0.221 3.749 3.960 0.017 0.000 0.252 402 G HA3 -0.221 3.749 3.960 0.017 0.000 0.252 402 G C 0.023 174.863 174.900 -0.100 0.000 0.994 402 G CA 0.031 45.059 45.100 -0.119 0.000 0.698 402 G HN 1.155 nan 8.290 nan 0.000 0.521 403 V N 1.041 120.907 119.914 -0.080 0.000 2.485 403 V HA 0.111 4.241 4.120 0.017 0.000 0.287 403 V C 0.111 176.142 176.094 -0.105 0.000 1.022 403 V CA -0.164 62.083 62.300 -0.088 0.000 1.067 403 V CB 1.150 32.940 31.823 -0.054 0.000 0.967 403 V HN 0.146 nan 8.190 nan 0.000 0.479 404 P HA -0.232 nan 4.420 nan 0.000 0.215 404 P C 1.577 178.837 177.300 -0.067 0.000 1.163 404 P CA 2.051 65.002 63.100 -0.247 0.000 0.894 404 P CB 0.165 31.298 31.700 -0.946 0.000 0.791 405 A N -0.647 122.139 122.820 -0.057 0.000 1.940 405 A HA -0.285 4.044 4.320 0.017 0.000 0.219 405 A C 2.397 179.994 177.584 0.022 0.000 1.176 405 A CA 1.937 53.984 52.037 0.018 0.000 0.631 405 A CB -1.389 17.629 19.000 0.029 0.000 0.814 405 A HN 0.234 nan 8.150 nan 0.000 0.446 406 Q N -0.034 119.770 119.800 0.008 0.000 2.020 406 Q HA -0.115 4.235 4.340 0.017 0.000 0.198 406 Q C 2.030 178.056 176.000 0.042 0.000 0.974 406 Q CA 2.273 58.085 55.803 0.014 0.000 0.829 406 Q CB -0.297 28.438 28.738 -0.005 0.000 0.894 406 Q HN 0.644 nan 8.270 nan 0.000 0.433 407 V N -1.713 118.237 119.914 0.061 0.000 2.626 407 V HA -0.169 3.961 4.120 0.017 0.000 0.252 407 V C 1.587 177.853 176.094 0.285 0.000 1.067 407 V CA 1.947 64.324 62.300 0.128 0.000 1.081 407 V CB -0.673 31.194 31.823 0.073 0.000 0.686 407 V HN 0.294 nan 8.190 nan 0.000 0.468 408 E N 1.749 122.086 120.200 0.229 0.000 2.150 408 E HA -0.122 4.238 4.350 0.017 0.000 0.193 408 E C 2.404 179.034 176.600 0.050 0.000 0.985 408 E CA 1.619 58.074 56.400 0.093 0.000 0.814 408 E CB -0.149 29.531 29.700 -0.033 0.000 0.752 408 E HN 0.895 nan 8.360 nan 0.000 0.466 409 S N 0.140 115.872 115.700 0.054 0.000 2.439 409 S HA -0.036 4.444 4.470 0.017 0.000 0.224 409 S C 1.902 176.529 174.600 0.044 0.000 1.029 409 S CA 0.207 58.427 58.200 0.034 0.000 0.946 409 S CB 0.051 63.264 63.200 0.022 0.000 0.797 409 S HN 0.149 nan 8.310 nan 0.000 0.504 410 Q N 0.989 120.823 119.800 0.057 0.000 2.163 410 Q HA 0.238 4.588 4.340 0.017 0.000 0.198 410 Q C 0.466 176.503 176.000 0.062 0.000 0.954 410 Q CA 0.901 56.731 55.803 0.045 0.000 0.851 410 Q CB 0.141 28.896 28.738 0.028 0.000 0.928 410 Q HN 0.447 nan 8.270 nan 0.000 0.459 411 S N 1.168 116.935 115.700 0.112 0.000 2.384 411 S HA 0.156 4.636 4.470 0.017 0.000 0.227 411 S C -1.981 172.777 174.600 0.262 0.000 1.257 411 S CA -0.758 57.523 58.200 0.135 0.000 1.249 411 S CB 0.839 64.087 63.200 0.081 0.000 1.018 411 S HN 0.220 nan 8.310 nan 0.000 0.478 412 P HA -0.054 nan 4.420 nan 0.000 0.218 412 P C 0.479 177.889 177.300 0.183 0.000 1.149 412 P CA 1.163 64.356 63.100 0.154 0.000 0.817 412 P CB 0.050 31.777 31.700 0.046 0.000 0.785 413 N N -0.236 118.548 118.700 0.139 0.000 2.434 413 N HA 0.170 4.920 4.740 0.017 0.000 0.196 413 N C 0.572 176.152 175.510 0.116 0.000 1.183 413 N CA -0.017 53.099 53.050 0.111 0.000 0.849 413 N CB -0.496 38.029 38.487 0.064 0.000 0.992 413 N HN 0.178 nan 8.380 nan 0.000 0.460 414 A N 1.241 124.156 122.820 0.159 0.000 2.466 414 A HA 0.409 4.739 4.320 0.017 0.000 0.238 414 A C 0.543 178.183 177.584 0.094 0.000 1.074 414 A CA 0.134 52.213 52.037 0.070 0.000 0.774 414 A CB 0.225 19.200 19.000 -0.043 0.000 1.015 414 A HN 0.396 nan 8.150 nan 0.000 0.498 415 K N -0.668 119.745 120.400 0.022 0.000 2.607 415 K HA 0.669 4.999 4.320 0.017 0.000 0.287 415 K C -1.850 174.729 176.600 -0.035 0.000 0.996 415 K CA -0.843 55.461 56.287 0.028 0.000 0.876 415 K CB 1.650 34.176 32.500 0.044 0.000 1.496 415 K HN 0.782 nan 8.250 nan 0.000 0.415 416 V N 0.741 120.619 119.914 -0.061 0.000 2.735 416 V HA 0.630 4.760 4.120 0.017 0.000 0.310 416 V C -1.528 174.419 176.094 -0.246 0.000 1.061 416 V CA -0.139 62.046 62.300 -0.191 0.000 0.913 416 V CB 2.259 33.913 31.823 -0.282 0.000 1.005 416 V HN 0.913 nan 8.190 nan 0.000 0.428 417 T N 7.261 121.638 114.554 -0.295 0.000 2.815 417 T HA 0.594 4.954 4.350 0.017 0.000 0.289 417 T C -1.043 173.517 174.700 -0.233 0.000 1.000 417 T CA 0.053 62.043 62.100 -0.184 0.000 0.958 417 T CB 0.605 69.439 68.868 -0.057 0.000 0.944 417 T HN 0.399 nan 8.240 nan 0.000 0.442 418 F N 2.714 122.719 119.950 0.091 0.000 2.436 418 F HA 0.678 5.216 4.527 0.018 0.000 0.340 418 F C 0.953 176.809 175.800 0.094 0.000 1.113 418 F CA -0.596 57.468 58.000 0.108 0.000 1.022 418 F CB 1.645 40.667 39.000 0.037 0.000 1.128 418 F HN 0.589 nan 8.300 nan 0.000 0.466 419 S N 1.166 117.045 115.700 0.298 0.000 2.638 419 S HA 0.487 4.967 4.470 0.017 0.000 0.274 419 S C -0.541 174.165 174.600 0.177 0.000 1.157 419 S CA -1.102 57.214 58.200 0.193 0.000 0.826 419 S CB 1.515 64.791 63.200 0.127 0.000 1.139 419 S HN 0.635 nan 8.310 nan 0.000 0.474 420 N N -0.015 118.768 118.700 0.137 0.000 2.705 420 N HA -0.149 4.601 4.740 0.017 0.000 0.255 420 N C -0.890 174.681 175.510 0.103 0.000 1.008 420 N CA 0.518 53.636 53.050 0.113 0.000 0.742 420 N CB -1.586 36.947 38.487 0.077 0.000 0.906 420 N HN 0.709 nan 8.380 nan 0.000 0.541 421 I N 0.733 121.378 120.570 0.124 0.000 2.533 421 I HA 0.016 4.196 4.170 0.017 0.000 0.284 421 I C 0.732 176.907 176.117 0.097 0.000 1.109 421 I CA 0.448 61.760 61.300 0.019 0.000 1.412 421 I CB 0.453 38.483 38.000 0.050 0.000 1.396 421 I HN 0.087 nan 8.210 nan 0.000 0.543 422 K N 6.829 127.198 120.400 -0.052 0.000 2.422 422 K HA 0.594 4.924 4.320 0.017 0.000 0.251 422 K C -1.301 175.384 176.600 0.142 0.000 0.933 422 K CA -0.740 55.615 56.287 0.114 0.000 0.798 422 K CB 2.886 35.420 32.500 0.057 0.000 1.238 422 K HN 0.346 nan 8.250 nan 0.000 0.428 423 F N 0.446 120.521 119.950 0.208 0.000 2.608 423 F HA 0.700 5.237 4.527 0.017 0.000 0.309 423 F C -0.544 175.423 175.800 0.278 0.000 1.103 423 F CA -0.008 58.167 58.000 0.292 0.000 0.954 423 F CB 2.208 41.544 39.000 0.560 0.000 1.267 423 F HN 0.684 nan 8.300 nan 0.000 0.444 424 G N 3.743 112.182 108.800 -0.602 0.000 2.321 424 G HA2 0.387 4.357 3.960 0.017 0.000 0.296 424 G HA3 0.387 4.357 3.960 0.017 0.000 0.296 424 G C -3.450 171.229 174.900 -0.367 0.000 1.287 424 G CA -0.992 43.854 45.100 -0.424 0.000 0.846 424 G HN 0.421 nan 8.290 nan 0.000 0.508 425 P HA 0.267 nan 4.420 nan 0.000 0.268 425 P C 0.357 177.628 177.300 -0.049 0.000 1.208 425 P CA -0.178 62.865 63.100 -0.096 0.000 0.777 425 P CB 0.452 32.124 31.700 -0.045 0.000 0.875 426 I N 1.525 122.090 120.570 -0.008 0.000 2.826 426 I HA -0.030 4.150 4.170 0.017 0.000 0.295 426 I C 1.653 177.785 176.117 0.024 0.000 1.213 426 I CA 1.472 62.787 61.300 0.026 0.000 1.436 426 I CB -0.711 37.313 38.000 0.039 0.000 1.348 426 I HN 0.742 nan 8.210 nan 0.000 0.570 427 G N 3.888 112.715 108.800 0.045 0.000 2.176 427 G HA2 -0.319 3.651 3.960 0.017 0.000 0.253 427 G HA3 -0.319 3.651 3.960 0.017 0.000 0.253 427 G C 0.862 175.780 174.900 0.030 0.000 0.979 427 G CA 0.594 45.718 45.100 0.039 0.000 0.641 427 G HN 0.752 nan 8.290 nan 0.000 0.530 428 S N -0.676 115.037 115.700 0.022 0.000 2.497 428 S HA 0.087 4.567 4.470 0.017 0.000 0.218 428 S C 2.214 176.828 174.600 0.024 0.000 1.023 428 S CA 1.548 59.757 58.200 0.014 0.000 0.913 428 S CB -0.232 62.965 63.200 -0.006 0.000 0.800 428 S HN 1.292 nan 8.310 nan 0.000 0.505 429 T N -1.133 113.441 114.554 0.033 0.000 3.072 429 T HA 0.157 4.517 4.350 0.017 0.000 0.266 429 T C 1.722 176.449 174.700 0.046 0.000 1.127 429 T CA 0.973 63.095 62.100 0.038 0.000 1.107 429 T CB -0.700 68.185 68.868 0.027 0.000 0.910 429 T HN 0.438 nan 8.240 nan 0.000 0.513 430 G N 1.242 110.079 108.800 0.062 0.000 2.920 430 G HA2 0.085 4.055 3.960 0.017 0.000 0.208 430 G HA3 0.085 4.055 3.960 0.017 0.000 0.208 430 G C 0.528 175.449 174.900 0.036 0.000 1.159 430 G CA -0.501 44.636 45.100 0.062 0.000 0.784 430 G HN 0.408 nan 8.290 nan 0.000 0.535 431 N N 0.962 119.679 118.700 0.028 0.000 2.445 431 N HA 0.272 5.022 4.740 0.017 0.000 0.264 431 N C -2.681 172.840 175.510 0.018 0.000 1.227 431 N CA -1.524 51.537 53.050 0.018 0.000 0.963 431 N CB 0.628 39.124 38.487 0.014 0.000 1.188 431 N HN -0.135 nan 8.380 nan 0.000 0.491 432 P HA 0.020 nan 4.420 nan 0.000 0.262 432 P C -0.435 176.872 177.300 0.012 0.000 1.182 432 P CA 0.528 63.635 63.100 0.012 0.000 0.761 432 P CB 0.411 32.115 31.700 0.007 0.000 0.795 433 S N 1.739 117.448 115.700 0.014 0.000 2.576 433 S HA 0.413 4.893 4.470 0.017 0.000 0.276 433 S C 0.984 175.586 174.600 0.003 0.000 1.339 433 S CA -0.210 57.997 58.200 0.013 0.000 1.039 433 S CB 0.628 63.841 63.200 0.021 0.000 0.902 433 S HN 0.572 nan 8.310 nan 0.000 0.516 434 G N 0.000 108.796 108.800 -0.007 0.000 5.446 434 G HA2 0.000 3.970 3.960 0.017 0.000 0.244 434 G HA3 0.000 3.970 3.960 0.017 0.000 0.244 434 G CA 0.000 45.090 45.100 -0.017 0.000 0.502 434 G HN 0.000 nan 8.290 nan 0.000 0.925