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 1sox_1_A DATA FIRST_RESID 3 DATA SEQUENCE SYPEYTREEV GRHRSPEERV WVTHGTDVFD VTDFVELHPG GPDKILLAAG DATA SEQUENCE GALEPFWALY AVHGEPHVLE LLQQYKVGEL SPDEAPXAPD AQDPFAGDPP DATA SEQUENCE RHPGLRVNSQ KPFNAEPPAE LLAERFLTPN ELFFTRNHLP VPAVEPSSYR DATA SEQUENCE LRVDGPGGGT LSLSLAELRS RFPKHEVTAT LQCAGNRRSE MSRVRPVKGL DATA SEQUENCE PWDIGAISTA RWGGARLRDV LLHAGFPEEL QGEWHVCFEG LDADPGGAPY DATA SEQUENCE GASIPYGRAL SPAADVLLAY EMNGTELPRD HGFPVRVVVP GVVGARSVKW DATA SEQUENCE LRRVAVSPDE SPSHWQQNDY KGFSPCVDWD TVDYRTAPAI QELPVQSAVT DATA SEQUENCE QPRPGAAVPP GELTVKGYAW SGGGREVVRV DVSLDGGRTW KVARLMGDKA DATA SEQUENCE PPGRAWAWAL WELTVPVEAG TELEIVCKAV DSSYNVQPDS VAPIWNLRGV DATA SEQUENCE LSTAWHRVRV SVQD 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 3 S HA 0.000 nan 4.470 nan 0.000 0.327 3 S C 0.000 174.438 174.600 -0.270 0.000 1.055 3 S CA 0.000 58.087 58.200 -0.189 0.000 1.107 3 S CB 0.000 63.042 63.200 -0.263 0.000 0.593 4 Y N 3.706 123.967 120.300 -0.064 0.000 2.334 4 Y HA 0.698 5.248 4.550 0.000 0.000 0.336 4 Y C -2.566 173.269 175.900 -0.108 0.000 0.960 4 Y CA -2.176 55.876 58.100 -0.080 0.000 1.164 4 Y CB 1.008 39.415 38.460 -0.089 0.000 1.155 4 Y HN 0.127 nan 8.280 nan 0.000 0.478 5 P HA 0.076 nan 4.420 nan 0.000 0.268 5 P C -0.587 176.526 177.300 -0.311 0.000 1.205 5 P CA -0.074 62.923 63.100 -0.170 0.000 0.771 5 P CB 0.925 32.488 31.700 -0.228 0.000 0.858 6 E N 1.459 121.434 120.200 -0.374 0.000 2.214 6 E HA 0.392 4.742 4.350 0.000 0.000 0.274 6 E C -0.865 175.465 176.600 -0.451 0.000 0.977 6 E CA -0.377 55.851 56.400 -0.286 0.000 0.827 6 E CB 0.927 30.548 29.700 -0.132 0.000 1.130 6 E HN 0.416 nan 8.360 nan 0.000 0.394 7 Y N -0.568 119.760 120.300 0.046 0.000 2.581 7 Y HA 0.212 4.762 4.550 0.000 0.000 0.345 7 Y C 0.505 176.440 175.900 0.059 0.000 1.036 7 Y CA -0.953 57.201 58.100 0.089 0.000 1.042 7 Y CB 1.848 40.418 38.460 0.183 0.000 1.289 7 Y HN 0.423 nan 8.280 nan 0.000 0.471 8 T N -2.223 112.470 114.554 0.231 0.000 2.902 8 T HA 0.403 4.753 4.350 0.000 0.000 0.280 8 T C 0.963 175.738 174.700 0.124 0.000 0.992 8 T CA -0.830 61.346 62.100 0.126 0.000 1.015 8 T CB 1.345 70.261 68.868 0.080 0.000 1.044 8 T HN 0.695 nan 8.240 nan 0.000 0.520 9 R N 0.580 121.121 120.500 0.068 0.000 2.091 9 R HA -0.124 4.216 4.340 0.000 0.000 0.238 9 R C 2.427 178.750 176.300 0.038 0.000 1.136 9 R CA 2.007 58.134 56.100 0.045 0.000 0.959 9 R CB -0.320 29.984 30.300 0.007 0.000 0.856 9 R HN 0.789 nan 8.270 nan 0.000 0.437 10 E N 0.734 120.952 120.200 0.029 0.000 2.058 10 E HA -0.228 4.122 4.350 0.000 0.000 0.194 10 E C 1.901 178.511 176.600 0.016 0.000 0.997 10 E CA 1.390 57.797 56.400 0.012 0.000 0.801 10 E CB -0.127 29.578 29.700 0.008 0.000 0.746 10 E HN 0.511 nan 8.360 nan 0.000 0.450 11 E N 0.763 121.000 120.200 0.061 0.000 2.106 11 E HA -0.134 4.216 4.350 0.000 0.000 0.192 11 E C 2.270 178.902 176.600 0.055 0.000 0.984 11 E CA 1.016 57.454 56.400 0.062 0.000 0.806 11 E CB -0.016 29.799 29.700 0.191 0.000 0.750 11 E HN 0.047 nan 8.360 nan 0.000 0.458 12 V N 1.006 120.999 119.914 0.133 0.000 2.407 12 V HA -0.182 3.938 4.120 0.000 0.000 0.248 12 V C 2.326 178.484 176.094 0.107 0.000 1.055 12 V CA 1.889 64.309 62.300 0.201 0.000 1.049 12 V CB -0.894 31.054 31.823 0.209 0.000 0.662 12 V HN 0.423 nan 8.190 nan 0.000 0.455 13 G N -0.567 108.248 108.800 0.024 0.000 2.535 13 G HA2 -0.210 3.750 3.960 0.000 0.000 0.218 13 G HA3 -0.210 3.750 3.960 0.000 0.000 0.218 13 G C 1.689 176.535 174.900 -0.090 0.000 1.122 13 G CA 0.256 45.342 45.100 -0.024 0.000 0.769 13 G HN 0.443 nan 8.290 nan 0.000 0.549 14 R N -0.516 119.868 120.500 -0.193 0.000 2.240 14 R HA 0.054 4.394 4.340 0.000 0.000 0.203 14 R C 0.125 176.107 176.300 -0.530 0.000 1.011 14 R CA 0.211 56.093 56.100 -0.362 0.000 1.007 14 R CB 0.096 30.104 30.300 -0.486 0.000 0.911 14 R HN 0.390 nan 8.270 nan 0.000 0.468 15 H N 0.587 119.460 119.070 -0.329 0.000 2.702 15 H HA 0.243 4.799 4.556 0.000 0.000 0.252 15 H C 0.298 175.532 175.328 -0.156 0.000 1.493 15 H CA -0.004 55.816 56.048 -0.381 0.000 1.273 15 H CB 0.485 29.736 29.762 -0.851 0.000 1.537 15 H HN 0.023 nan 8.280 nan 0.000 0.547 16 R N 0.944 121.418 120.500 -0.042 0.000 2.543 16 R HA 0.132 4.472 4.340 0.000 0.000 0.323 16 R C -0.091 176.213 176.300 0.006 0.000 1.002 16 R CA -0.129 55.973 56.100 0.002 0.000 1.106 16 R CB 0.795 31.091 30.300 -0.008 0.000 1.280 16 R HN 0.419 nan 8.270 nan 0.000 0.549 17 S N -1.526 114.175 115.700 0.002 0.000 2.550 17 S HA 0.360 4.830 4.470 0.000 0.000 0.270 17 S C -2.593 172.021 174.600 0.023 0.000 1.145 17 S CA -1.298 56.907 58.200 0.008 0.000 0.852 17 S CB 2.582 65.776 63.200 -0.009 0.000 1.119 17 S HN -0.297 nan 8.310 nan 0.000 0.465 18 P HA -0.165 nan 4.420 nan 0.000 0.214 18 P C 0.989 178.313 177.300 0.040 0.000 1.169 18 P CA 1.829 64.952 63.100 0.039 0.000 0.908 18 P CB -0.093 31.624 31.700 0.027 0.000 0.791 19 E N -0.487 119.727 120.200 0.022 0.000 2.118 19 E HA -0.178 4.172 4.350 0.000 0.000 0.195 19 E C 1.983 178.590 176.600 0.011 0.000 0.992 19 E CA 1.072 57.481 56.400 0.016 0.000 0.804 19 E CB -0.758 28.943 29.700 0.003 0.000 0.741 19 E HN 0.365 nan 8.360 nan 0.000 0.458 20 E N 0.010 120.206 120.200 -0.007 0.000 2.299 20 E HA 0.051 4.401 4.350 0.000 0.000 0.193 20 E C -0.189 176.424 176.600 0.022 0.000 0.998 20 E CA 0.229 56.605 56.400 -0.040 0.000 0.851 20 E CB 0.297 29.933 29.700 -0.107 0.000 0.795 20 E HN 0.060 nan 8.360 nan 0.000 0.492 21 R N -0.661 119.879 120.500 0.067 0.000 1.006 21 R HA -0.069 4.271 4.340 0.000 0.000 0.432 21 R C -1.068 175.329 176.300 0.161 0.000 1.343 21 R CA 0.014 56.202 56.100 0.148 0.000 0.824 21 R CB -1.212 29.221 30.300 0.222 0.000 2.802 21 R HN -0.077 nan 8.270 nan 0.000 0.525 22 V N 5.103 125.150 119.914 0.221 0.000 2.389 22 V HA 0.324 4.444 4.120 0.000 0.000 0.264 22 V C 0.123 176.457 176.094 0.400 0.000 1.049 22 V CA -0.133 62.296 62.300 0.216 0.000 0.932 22 V CB 0.378 32.274 31.823 0.120 0.000 1.011 22 V HN 0.428 nan 8.190 nan 0.000 0.475 23 W N 4.453 125.762 121.300 0.014 0.000 2.606 23 W HA 0.777 5.437 4.660 0.000 0.000 0.332 23 W C -0.188 176.334 176.519 0.006 0.000 1.052 23 W CA -1.050 56.276 57.345 -0.033 0.000 1.223 23 W CB 1.698 31.063 29.460 -0.159 0.000 1.383 23 W HN 0.496 nan 8.180 nan 0.000 0.524 24 V N -0.693 119.357 119.914 0.227 0.000 3.130 24 V HA 0.939 5.059 4.120 0.000 0.000 0.310 24 V C -0.378 175.837 176.094 0.201 0.000 1.158 24 V CA -1.165 61.233 62.300 0.162 0.000 1.029 24 V CB 1.376 33.245 31.823 0.077 0.000 1.057 24 V HN 0.567 nan 8.190 nan 0.000 0.436 25 T N -1.200 113.448 114.554 0.156 0.000 2.924 25 T HA 0.690 5.040 4.350 0.000 0.000 0.291 25 T C -0.920 173.898 174.700 0.197 0.000 1.045 25 T CA -0.401 61.807 62.100 0.179 0.000 1.015 25 T CB 1.732 70.646 68.868 0.076 0.000 1.103 25 T HN 1.248 nan 8.240 nan 0.000 0.496 26 H N -0.159 118.991 119.070 0.133 0.000 3.083 26 H HA 0.454 5.010 4.556 0.000 0.000 0.339 26 H C 0.778 176.127 175.328 0.035 0.000 1.020 26 H CA 0.199 56.238 56.048 -0.015 0.000 1.360 26 H CB 1.129 30.802 29.762 -0.148 0.000 1.811 26 H HN 1.315 nan 8.280 nan 0.000 0.493 27 G N 2.848 111.430 108.800 -0.364 0.000 2.583 27 G HA2 -0.385 3.575 3.960 0.000 0.000 0.292 27 G HA3 -0.385 3.575 3.960 0.000 0.000 0.292 27 G C 0.802 175.636 174.900 -0.110 0.000 1.203 27 G CA 0.793 45.749 45.100 -0.240 0.000 0.987 27 G HN 0.842 nan 8.290 nan 0.000 0.554 28 T N -1.553 112.947 114.554 -0.091 0.000 3.176 28 T HA 0.485 4.835 4.350 0.000 0.000 0.263 28 T C -0.132 174.489 174.700 -0.131 0.000 1.021 28 T CA 0.684 62.733 62.100 -0.085 0.000 0.905 28 T CB 0.434 69.257 68.868 -0.075 0.000 1.057 28 T HN 0.461 nan 8.240 nan 0.000 0.558 29 D N 1.332 121.638 120.400 -0.156 0.000 2.181 29 D HA 0.532 5.172 4.640 0.000 0.000 0.248 29 D C -0.594 175.412 176.300 -0.490 0.000 1.020 29 D CA -0.485 53.274 54.000 -0.402 0.000 0.891 29 D CB 2.276 42.772 40.800 -0.507 0.000 1.187 29 D HN 0.044 nan 8.370 nan 0.000 0.443 30 V N 2.394 121.889 119.914 -0.697 0.000 2.448 30 V HA 0.447 4.567 4.120 0.000 0.000 0.295 30 V C -0.672 174.921 176.094 -0.835 0.000 1.025 30 V CA -0.702 61.276 62.300 -0.537 0.000 0.859 30 V CB 0.773 32.395 31.823 -0.337 0.000 0.988 30 V HN 0.322 nan 8.190 nan 0.000 0.431 31 F N 2.120 121.901 119.950 -0.282 0.000 2.520 31 F HA 0.479 5.006 4.527 0.000 0.000 0.322 31 F C 0.118 175.697 175.800 -0.368 0.000 1.103 31 F CA -0.860 56.978 58.000 -0.269 0.000 0.926 31 F CB 1.646 40.574 39.000 -0.120 0.000 1.154 31 F HN 0.394 nan 8.300 nan 0.000 0.453 32 D N 2.726 122.989 120.400 -0.228 0.000 2.443 32 D HA 0.226 4.866 4.640 0.000 0.000 0.221 32 D C 0.229 176.577 176.300 0.081 0.000 1.097 32 D CA -0.086 53.793 54.000 -0.201 0.000 0.865 32 D CB 1.494 42.125 40.800 -0.282 0.000 1.034 32 D HN 0.417 nan 8.370 nan 0.000 0.511 33 V N 1.732 121.681 119.914 0.059 0.000 3.177 33 V HA 0.151 4.271 4.120 0.000 0.000 0.342 33 V C 1.534 177.629 176.094 0.002 0.000 1.379 33 V CA -0.164 62.082 62.300 -0.091 0.000 1.191 33 V CB -0.270 31.476 31.823 -0.129 0.000 1.167 33 V HN 0.332 nan 8.190 nan 0.000 0.471 34 T N 1.198 115.811 114.554 0.098 0.000 2.665 34 T HA -0.203 4.147 4.350 0.000 0.000 0.268 34 T C 1.417 176.163 174.700 0.077 0.000 1.035 34 T CA 2.537 64.698 62.100 0.102 0.000 1.151 34 T CB -0.336 68.618 68.868 0.145 0.000 0.862 34 T HN 0.600 nan 8.240 nan 0.000 0.438 35 D N -0.080 120.391 120.400 0.119 0.000 2.317 35 D HA 0.048 4.688 4.640 0.000 0.000 0.211 35 D C 1.483 177.850 176.300 0.112 0.000 0.966 35 D CA 0.298 54.382 54.000 0.140 0.000 0.876 35 D CB -0.243 40.699 40.800 0.237 0.000 0.927 35 D HN 0.357 nan 8.370 nan 0.000 0.519 36 F N 1.007 120.842 119.950 -0.191 0.000 2.416 36 F HA -0.065 4.462 4.527 0.000 0.000 0.296 36 F C 1.959 177.689 175.800 -0.117 0.000 1.099 36 F CA 0.380 58.218 58.000 -0.269 0.000 1.427 36 F CB -0.035 38.494 39.000 -0.785 0.000 1.079 36 F HN -0.259 nan 8.300 nan 0.000 0.536 37 V N 1.730 121.542 119.914 -0.169 0.000 2.370 37 V HA -0.373 3.747 4.120 0.000 0.000 0.252 37 V C 2.376 178.332 176.094 -0.230 0.000 1.068 37 V CA 2.434 64.619 62.300 -0.192 0.000 1.061 37 V CB -1.134 30.642 31.823 -0.079 0.000 0.656 37 V HN 0.590 nan 8.190 nan 0.000 0.455 38 E N -0.002 120.087 120.200 -0.185 0.000 2.427 38 E HA -0.098 4.252 4.350 0.000 0.000 0.196 38 E C 1.832 178.309 176.600 -0.205 0.000 1.028 38 E CA 0.886 57.200 56.400 -0.144 0.000 0.864 38 E CB -0.189 29.468 29.700 -0.073 0.000 0.813 38 E HN 0.602 nan 8.360 nan 0.000 0.514 39 L N 0.462 121.455 121.223 -0.383 0.000 2.585 39 L HA 0.133 4.473 4.340 0.000 0.000 0.226 39 L C 1.336 177.886 176.870 -0.534 0.000 1.113 39 L CA -0.270 54.331 54.840 -0.398 0.000 0.876 39 L CB -0.156 41.714 42.059 -0.314 0.000 1.072 39 L HN 0.274 nan 8.230 nan 0.000 0.468 40 H N 3.105 121.691 119.070 -0.806 0.000 2.929 40 H HA 0.093 4.649 4.556 0.000 0.000 0.317 40 H C -2.124 173.072 175.328 -0.220 0.000 1.031 40 H CA -1.574 54.159 56.048 -0.526 0.000 1.466 40 H CB 0.971 30.509 29.762 -0.373 0.000 1.482 40 H HN -0.094 nan 8.280 nan 0.000 0.561 41 P HA 0.017 nan 4.420 nan 0.000 0.264 41 P C 0.676 177.713 177.300 -0.438 0.000 1.193 41 P CA 1.150 63.992 63.100 -0.429 0.000 0.763 41 P CB 0.446 31.932 31.700 -0.357 0.000 0.810 42 G N 1.649 110.321 108.800 -0.213 0.000 2.159 42 G HA2 0.082 4.042 3.960 0.000 0.000 0.256 42 G HA3 0.082 4.042 3.960 0.000 0.000 0.256 42 G C 0.520 175.392 174.900 -0.046 0.000 0.977 42 G CA 0.214 45.240 45.100 -0.123 0.000 0.652 42 G HN 1.076 nan 8.290 nan 0.000 0.531 43 G N -1.048 107.732 108.800 -0.033 0.000 2.710 43 G HA2 0.261 4.221 3.960 0.000 0.000 0.668 43 G HA3 0.261 4.221 3.960 0.000 0.000 0.668 43 G C -1.052 173.890 174.900 0.071 0.000 1.320 43 G CA 0.285 45.386 45.100 0.003 0.000 0.860 43 G HN 0.827 nan 8.290 nan 0.000 0.538 44 P HA 0.161 nan 4.420 nan 0.000 0.245 44 P C 0.848 178.125 177.300 -0.039 0.000 1.203 44 P CA 1.006 64.089 63.100 -0.029 0.000 0.792 44 P CB 0.250 31.925 31.700 -0.042 0.000 0.997 45 D N 1.040 121.431 120.400 -0.015 0.000 2.116 45 D HA -0.168 4.472 4.640 0.000 0.000 0.193 45 D C 1.890 178.170 176.300 -0.034 0.000 0.998 45 D CA 1.348 55.339 54.000 -0.015 0.000 0.836 45 D CB -0.076 40.724 40.800 0.001 0.000 0.951 45 D HN 0.181 nan 8.370 nan 0.000 0.449 46 K N 0.450 120.827 120.400 -0.037 0.000 2.044 46 K HA 0.029 4.349 4.320 0.000 0.000 0.204 46 K C 2.436 178.914 176.600 -0.202 0.000 1.049 46 K CA 0.031 56.275 56.287 -0.071 0.000 0.945 46 K CB -0.583 31.900 32.500 -0.028 0.000 0.724 46 K HN 0.224 nan 8.250 nan 0.000 0.440 47 I N 1.480 121.879 120.570 -0.284 0.000 2.264 47 I HA -0.252 3.919 4.170 0.000 0.000 0.248 47 I C 1.862 177.808 176.117 -0.285 0.000 1.111 47 I CA 1.124 62.178 61.300 -0.412 0.000 1.382 47 I CB 0.012 37.616 38.000 -0.660 0.000 1.060 47 I HN 0.038 nan 8.210 nan 0.000 0.418 48 L N 0.018 121.131 121.223 -0.184 0.000 2.456 48 L HA -0.171 4.169 4.340 0.000 0.000 0.224 48 L C 2.084 178.891 176.870 -0.105 0.000 1.148 48 L CA 0.153 54.926 54.840 -0.111 0.000 0.825 48 L CB -0.404 41.618 42.059 -0.061 0.000 0.937 48 L HN 0.313 nan 8.230 nan 0.000 0.450 49 L N -0.169 120.951 121.223 -0.172 0.000 2.275 49 L HA -0.105 4.235 4.340 0.000 0.000 0.215 49 L C 2.489 179.270 176.870 -0.148 0.000 1.119 49 L CA 1.576 56.334 54.840 -0.137 0.000 0.790 49 L CB -1.036 40.924 42.059 -0.164 0.000 0.919 49 L HN 0.171 nan 8.230 nan 0.000 0.443 50 A N -0.875 121.745 122.820 -0.333 0.000 2.218 50 A HA 0.379 4.699 4.320 0.000 0.000 0.209 50 A C 1.386 179.035 177.584 0.108 0.000 1.168 50 A CA 0.397 52.390 52.037 -0.072 0.000 0.804 50 A CB -0.624 18.212 19.000 -0.274 0.000 0.834 50 A HN 0.245 nan 8.150 nan 0.000 0.482 51 A N -0.454 122.392 122.820 0.044 0.000 2.591 51 A HA 0.378 4.698 4.320 0.000 0.000 0.244 51 A C 1.726 179.358 177.584 0.079 0.000 1.031 51 A CA 0.883 52.958 52.037 0.064 0.000 0.767 51 A CB -0.849 18.176 19.000 0.042 0.000 0.942 51 A HN 2.037 nan 8.150 nan 0.000 0.514 52 G N 1.326 110.180 108.800 0.090 0.000 2.179 52 G HA2 0.088 4.048 3.960 0.000 0.000 0.260 52 G HA3 0.088 4.048 3.960 0.000 0.000 0.260 52 G C 0.966 175.874 174.900 0.013 0.000 0.977 52 G CA 0.851 45.990 45.100 0.065 0.000 0.641 52 G HN 2.255 nan 8.290 nan 0.000 0.533 53 G N -1.059 107.732 108.800 -0.015 0.000 3.086 53 G HA2 0.849 4.809 3.960 0.000 0.000 0.282 53 G HA3 0.849 4.809 3.960 0.000 0.000 0.282 53 G C -0.054 174.843 174.900 -0.004 0.000 1.343 53 G CA 0.260 45.256 45.100 -0.173 0.000 0.895 53 G HN 1.507 nan 8.290 nan 0.000 0.557 54 A N -0.842 121.972 122.820 -0.010 0.000 2.371 54 A HA 0.559 4.879 4.320 0.000 0.000 0.257 54 A C 1.073 178.821 177.584 0.275 0.000 1.089 54 A CA -0.412 51.703 52.037 0.129 0.000 0.794 54 A CB 0.397 19.450 19.000 0.089 0.000 1.029 54 A HN 0.567 nan 8.150 nan 0.000 0.488 55 L N 0.783 122.030 121.223 0.039 0.000 2.418 55 L HA -0.046 4.294 4.340 0.000 0.000 0.218 55 L C 2.068 178.846 176.870 -0.152 0.000 1.125 55 L CA 0.505 55.254 54.840 -0.153 0.000 0.835 55 L CB -0.392 41.058 42.059 -1.015 0.000 0.953 55 L HN 0.870 nan 8.230 nan 0.000 0.454 56 E N 0.691 120.853 120.200 -0.063 0.000 2.082 56 E HA -0.256 4.094 4.350 0.000 0.000 0.215 56 E C -0.636 175.961 176.600 -0.004 0.000 1.048 56 E CA 2.375 58.776 56.400 0.002 0.000 0.869 56 E CB -1.298 28.403 29.700 0.002 0.000 0.773 56 E HN 0.373 nan 8.360 nan 0.000 0.466 57 P HA -0.158 nan 4.420 nan 0.000 0.216 57 P C 1.027 178.150 177.300 -0.295 0.000 1.150 57 P CA 1.451 64.347 63.100 -0.340 0.000 0.837 57 P CB -0.122 31.195 31.700 -0.638 0.000 0.786 58 F N -2.087 117.938 119.950 0.125 0.000 2.259 58 F HA 0.005 4.532 4.527 0.000 0.000 0.298 58 F C 2.828 178.863 175.800 0.392 0.000 1.088 58 F CA 0.510 58.648 58.000 0.229 0.000 1.358 58 F CB -1.645 37.494 39.000 0.231 0.000 1.040 58 F HN -0.065 nan 8.300 nan 0.000 0.505 59 W N 0.369 121.737 121.300 0.113 0.000 2.374 59 W HA -0.149 4.511 4.660 0.000 0.000 0.288 59 W C 2.418 178.999 176.519 0.103 0.000 1.218 59 W CA 0.649 58.057 57.345 0.105 0.000 1.245 59 W CB -0.191 29.322 29.460 0.088 0.000 1.126 59 W HN 0.015 nan 8.180 nan 0.000 0.545 60 A N 0.150 123.130 122.820 0.267 0.000 1.929 60 A HA -0.123 4.197 4.320 0.000 0.000 0.216 60 A C 1.923 179.524 177.584 0.028 0.000 1.176 60 A CA 0.970 53.077 52.037 0.117 0.000 0.628 60 A CB -0.891 18.136 19.000 0.046 0.000 0.816 60 A HN 0.233 nan 8.150 nan 0.000 0.444 61 L N -2.213 118.989 121.223 -0.035 0.000 2.072 61 L HA -0.081 4.259 4.340 0.000 0.000 0.205 61 L C 0.208 176.808 176.870 -0.450 0.000 1.079 61 L CA 0.780 55.433 54.840 -0.313 0.000 0.752 61 L CB -0.313 41.440 42.059 -0.510 0.000 0.906 61 L HN 0.449 nan 8.230 nan 0.000 0.436 62 Y N -1.117 119.289 120.300 0.177 0.000 2.805 62 Y HA 0.417 4.967 4.550 0.000 0.000 0.339 62 Y C 0.908 176.881 175.900 0.122 0.000 1.012 62 Y CA -0.777 57.423 58.100 0.166 0.000 1.262 62 Y CB 0.636 39.265 38.460 0.281 0.000 1.100 62 Y HN -0.097 nan 8.280 nan 0.000 0.559 63 A N 0.951 123.847 122.820 0.126 0.000 2.178 63 A HA -0.094 4.227 4.320 0.000 0.000 0.218 63 A C 2.152 179.703 177.584 -0.055 0.000 1.157 63 A CA 1.433 53.495 52.037 0.042 0.000 0.689 63 A CB -0.370 18.655 19.000 0.042 0.000 0.787 63 A HN 0.629 nan 8.150 nan 0.000 0.465 64 V N -0.318 119.537 119.914 -0.098 0.000 2.594 64 V HA -0.265 3.855 4.120 0.000 0.000 0.253 64 V C 2.073 177.919 176.094 -0.413 0.000 1.069 64 V CA 2.531 64.705 62.300 -0.209 0.000 1.082 64 V CB -0.919 30.768 31.823 -0.226 0.000 0.680 64 V HN 0.804 nan 8.190 nan 0.000 0.469 65 H N -0.077 118.661 119.070 -0.554 0.000 2.521 65 H HA 0.078 4.634 4.556 0.000 0.000 0.286 65 H C 2.130 176.924 175.328 -0.889 0.000 1.034 65 H CA 1.142 56.568 56.048 -1.037 0.000 1.278 65 H CB -0.344 28.083 29.762 -2.225 0.000 1.386 65 H HN 0.522 nan 8.280 nan 0.000 0.567 66 G N 0.028 108.586 108.800 -0.403 0.000 2.650 66 G HA2 -0.081 3.879 3.960 0.000 0.000 0.214 66 G HA3 -0.081 3.879 3.960 0.000 0.000 0.214 66 G C 0.351 175.235 174.900 -0.028 0.000 1.136 66 G CA -0.141 44.914 45.100 -0.075 0.000 0.789 66 G HN 0.362 nan 8.290 nan 0.000 0.536 67 E N 0.363 120.503 120.200 -0.100 0.000 2.390 67 E HA 0.127 4.477 4.350 0.000 0.000 0.261 67 E C -1.415 175.173 176.600 -0.020 0.000 1.076 67 E CA -1.704 54.687 56.400 -0.016 0.000 0.905 67 E CB 1.225 30.955 29.700 0.049 0.000 0.984 67 E HN -0.059 nan 8.360 nan 0.000 0.427 68 P HA -0.248 nan 4.420 nan 0.000 0.216 68 P C 1.095 178.435 177.300 0.066 0.000 1.153 68 P CA 1.438 64.581 63.100 0.072 0.000 0.858 68 P CB -0.030 31.723 31.700 0.087 0.000 0.789 69 H N -1.330 117.735 119.070 -0.009 0.000 2.423 69 H HA -0.011 4.546 4.556 0.000 0.000 0.297 69 H C 1.601 176.919 175.328 -0.016 0.000 1.075 69 H CA 1.186 57.227 56.048 -0.011 0.000 1.342 69 H CB -1.273 28.476 29.762 -0.021 0.000 1.395 69 H HN -0.019 nan 8.280 nan 0.000 0.530 70 V N 1.721 121.248 119.914 -0.646 0.000 2.379 70 V HA -0.175 3.945 4.120 0.000 0.000 0.245 70 V C 3.124 179.117 176.094 -0.169 0.000 1.044 70 V CA 1.202 63.235 62.300 -0.445 0.000 1.036 70 V CB -0.588 30.908 31.823 -0.545 0.000 0.664 70 V HN 0.229 nan 8.190 nan 0.000 0.453 71 L N 0.039 121.210 121.223 -0.088 0.000 2.083 71 L HA -0.191 4.149 4.340 0.000 0.000 0.209 71 L C 2.611 179.491 176.870 0.018 0.000 1.083 71 L CA 1.769 56.623 54.840 0.023 0.000 0.752 71 L CB -0.587 41.528 42.059 0.094 0.000 0.899 71 L HN 0.365 nan 8.230 nan 0.000 0.433 72 E N 0.703 120.912 120.200 0.015 0.000 2.153 72 E HA -0.231 4.119 4.350 0.000 0.000 0.194 72 E C 1.966 178.574 176.600 0.014 0.000 0.988 72 E CA 1.010 57.428 56.400 0.031 0.000 0.811 72 E CB -0.151 29.577 29.700 0.046 0.000 0.746 72 E HN 0.306 nan 8.360 nan 0.000 0.466 73 L N -0.147 121.070 121.223 -0.009 0.000 2.044 73 L HA -0.012 4.328 4.340 0.000 0.000 0.205 73 L C 2.153 179.004 176.870 -0.031 0.000 1.075 73 L CA 1.483 56.316 54.840 -0.012 0.000 0.747 73 L CB -0.787 41.263 42.059 -0.015 0.000 0.903 73 L HN 0.337 nan 8.230 nan 0.000 0.435 74 L N -0.318 120.844 121.223 -0.101 0.000 2.042 74 L HA -0.225 4.115 4.340 0.000 0.000 0.210 74 L C 2.428 179.279 176.870 -0.032 0.000 1.076 74 L CA 1.764 56.484 54.840 -0.199 0.000 0.749 74 L CB -0.943 40.888 42.059 -0.380 0.000 0.893 74 L HN 0.388 nan 8.230 nan 0.000 0.432 75 Q N -0.277 119.567 119.800 0.074 0.000 2.297 75 Q HA -0.238 4.102 4.340 0.000 0.000 0.208 75 Q C 2.131 178.205 176.000 0.122 0.000 0.981 75 Q CA 1.510 57.442 55.803 0.216 0.000 0.876 75 Q CB -0.318 28.506 28.738 0.143 0.000 0.921 75 Q HN 0.721 nan 8.270 nan 0.000 0.446 76 Q N -0.964 118.821 119.800 -0.025 0.000 2.226 76 Q HA -0.137 4.203 4.340 0.000 0.000 0.204 76 Q C 0.587 176.372 176.000 -0.359 0.000 0.975 76 Q CA 0.977 56.636 55.803 -0.241 0.000 0.866 76 Q CB -0.003 28.467 28.738 -0.447 0.000 0.915 76 Q HN 0.471 nan 8.270 nan 0.000 0.440 77 Y N 0.446 120.805 120.300 0.098 0.000 2.493 77 Y HA 0.189 4.739 4.550 0.000 0.000 0.275 77 Y C 0.294 176.285 175.900 0.152 0.000 1.183 77 Y CA -0.332 57.835 58.100 0.112 0.000 1.258 77 Y CB 0.219 38.716 38.460 0.061 0.000 1.108 77 Y HN -0.139 nan 8.280 nan 0.000 0.521 78 K N 1.432 121.964 120.400 0.220 0.000 2.368 78 K HA 0.225 4.545 4.320 0.000 0.000 0.282 78 K C 0.815 177.323 176.600 -0.155 0.000 1.035 78 K CA 0.226 56.409 56.287 -0.174 0.000 0.973 78 K CB 0.770 33.081 32.500 -0.314 0.000 0.957 78 K HN 0.176 nan 8.250 nan 0.000 0.474 79 V N 0.182 119.894 119.914 -0.337 0.000 3.382 79 V HA 0.485 4.605 4.120 0.000 0.000 0.296 79 V C 0.311 176.348 176.094 -0.096 0.000 1.529 79 V CA 0.352 62.536 62.300 -0.194 0.000 1.048 79 V CB 0.202 31.770 31.823 -0.424 0.000 0.878 79 V HN 0.840 nan 8.190 nan 0.000 0.442 80 G N -0.408 108.227 108.800 -0.274 0.000 2.340 80 G HA2 0.589 4.550 3.960 0.000 0.000 0.299 80 G HA3 0.589 4.550 3.960 0.000 0.000 0.299 80 G C -2.020 172.711 174.900 -0.282 0.000 1.291 80 G CA -0.452 44.599 45.100 -0.083 0.000 0.841 80 G HN 0.220 nan 8.290 nan 0.000 0.500 81 E N -1.027 119.111 120.200 -0.104 0.000 2.367 81 E HA 0.580 4.930 4.350 0.000 0.000 0.273 81 E C -0.648 175.941 176.600 -0.019 0.000 0.903 81 E CA -0.718 55.603 56.400 -0.131 0.000 0.764 81 E CB 2.768 32.389 29.700 -0.133 0.000 1.252 81 E HN 0.392 nan 8.360 nan 0.000 0.446 82 L N 1.323 122.529 121.223 -0.028 0.000 2.421 82 L HA 0.456 4.796 4.340 0.000 0.000 0.263 82 L C -0.103 176.766 176.870 -0.002 0.000 1.122 82 L CA -0.340 54.510 54.840 0.017 0.000 0.804 82 L CB 1.168 43.229 42.059 0.004 0.000 1.150 82 L HN 0.548 nan 8.230 nan 0.000 0.457 83 S N 0.285 115.992 115.700 0.011 0.000 2.536 83 S HA 0.641 5.111 4.470 0.000 0.000 0.298 83 S C -2.646 171.952 174.600 -0.004 0.000 1.083 83 S CA -1.655 56.542 58.200 -0.005 0.000 0.995 83 S CB 1.288 64.484 63.200 -0.007 0.000 1.058 83 S HN 0.322 nan 8.310 nan 0.000 0.488 84 P HA 0.210 nan 4.420 nan 0.000 0.263 84 P C -0.281 177.013 177.300 -0.011 0.000 1.175 84 P CA 0.455 63.546 63.100 -0.015 0.000 0.761 84 P CB -0.290 31.399 31.700 -0.018 0.000 0.794 85 D N 1.201 121.593 120.400 -0.014 0.000 2.295 85 D HA 0.482 5.122 4.640 0.000 0.000 0.248 85 D C 0.545 176.835 176.300 -0.018 0.000 1.154 85 D CA -0.344 53.649 54.000 -0.012 0.000 0.857 85 D CB 0.068 40.859 40.800 -0.016 0.000 1.117 85 D HN 0.627 nan 8.370 nan 0.000 0.468 86 E N -0.340 119.852 120.200 -0.014 0.000 2.398 86 E HA 0.552 4.902 4.350 0.000 0.000 0.263 86 E C 0.249 176.837 176.600 -0.020 0.000 1.046 86 E CA -0.018 56.373 56.400 -0.016 0.000 0.908 86 E CB 1.209 30.902 29.700 -0.011 0.000 0.963 86 E HN 1.584 nan 8.360 nan 0.000 0.431 87 A N 3.677 126.484 122.820 -0.023 0.000 2.842 87 A HA 0.586 4.906 4.320 0.000 0.000 0.339 87 A C -1.651 175.919 177.584 -0.022 0.000 1.177 87 A CA -0.860 51.161 52.037 -0.027 0.000 0.797 87 A CB -0.275 18.704 19.000 -0.036 0.000 1.094 87 A HN 0.660 nan 8.150 nan 0.000 0.474 91 P HA 0.587 nan 4.420 nan 0.000 0.281 91 P C 0.252 177.534 177.300 -0.029 0.000 1.249 91 P CA 0.456 63.538 63.100 -0.030 0.000 0.810 91 P CB 0.994 32.669 31.700 -0.041 0.000 1.008 92 D N -0.768 119.612 120.400 -0.034 0.000 2.880 92 D HA -0.244 4.396 4.640 0.000 0.000 0.198 92 D C 1.192 177.484 176.300 -0.014 0.000 1.059 92 D CA 1.658 55.640 54.000 -0.030 0.000 1.019 92 D CB -1.175 39.603 40.800 -0.037 0.000 1.112 92 D HN 0.431 nan 8.370 nan 0.000 0.424 93 A N -0.051 122.763 122.820 -0.010 0.000 1.845 93 A HA -0.007 4.313 4.320 0.000 0.000 0.215 93 A C 2.462 180.047 177.584 0.002 0.000 1.195 93 A CA 3.778 55.813 52.037 -0.004 0.000 0.616 93 A CB -1.156 17.841 19.000 -0.004 0.000 0.832 93 A HN 0.574 nan 8.150 nan 0.000 0.443 94 Q N -0.548 119.255 119.800 0.005 0.000 2.049 94 Q HA 0.165 4.505 4.340 0.000 0.000 0.198 94 Q C 0.743 176.759 176.000 0.026 0.000 0.971 94 Q CA 1.766 57.577 55.803 0.014 0.000 0.833 94 Q CB -0.573 28.174 28.738 0.015 0.000 0.896 94 Q HN 0.974 nan 8.270 nan 0.000 0.434 95 D N -4.258 116.159 120.400 0.028 0.000 2.926 95 D HA 0.041 4.681 4.640 0.000 0.000 0.272 95 D C -2.573 173.742 176.300 0.025 0.000 1.172 95 D CA -0.311 53.719 54.000 0.050 0.000 0.731 95 D CB 0.431 41.290 40.800 0.098 0.000 1.282 95 D HN -0.012 nan 8.370 nan 0.000 0.430 96 P HA 0.002 nan 4.420 nan 0.000 0.218 96 P C 1.088 178.202 177.300 -0.311 0.000 1.148 96 P CA 1.085 64.073 63.100 -0.186 0.000 0.822 96 P CB -0.163 31.363 31.700 -0.290 0.000 0.784 97 F N -0.823 119.116 119.950 -0.018 0.000 2.732 97 F HA 0.343 4.870 4.527 0.000 0.000 0.303 97 F C 2.260 178.042 175.800 -0.031 0.000 1.110 97 F CA -0.001 57.985 58.000 -0.023 0.000 1.355 97 F CB -0.799 38.201 39.000 -0.001 0.000 1.081 97 F HN -0.101 nan 8.300 nan 0.000 0.565 98 A N 0.363 123.234 122.820 0.085 0.000 1.933 98 A HA -0.082 4.238 4.320 0.000 0.000 0.218 98 A C 2.453 180.043 177.584 0.011 0.000 1.175 98 A CA 1.718 53.782 52.037 0.044 0.000 0.628 98 A CB -1.205 17.807 19.000 0.019 0.000 0.814 98 A HN 0.388 nan 8.150 nan 0.000 0.444 99 G N -0.695 108.095 108.800 -0.018 0.000 3.088 99 G HA2 0.229 4.189 3.960 0.000 0.000 0.212 99 G HA3 0.229 4.189 3.960 0.000 0.000 0.212 99 G C -0.339 174.537 174.900 -0.040 0.000 1.173 99 G CA 0.003 45.082 45.100 -0.036 0.000 0.779 99 G HN 0.353 nan 8.290 nan 0.000 0.540 100 D N 1.570 121.962 120.400 -0.014 0.000 2.414 100 D HA 0.250 4.890 4.640 0.000 0.000 0.242 100 D C -1.639 174.625 176.300 -0.060 0.000 1.129 100 D CA -1.087 52.900 54.000 -0.022 0.000 0.885 100 D CB 1.324 42.155 40.800 0.051 0.000 1.198 100 D HN 0.100 nan 8.370 nan 0.000 0.437 101 P HA 0.185 nan 4.420 nan 0.000 0.272 101 P C -2.598 174.616 177.300 -0.143 0.000 1.230 101 P CA -1.114 61.928 63.100 -0.097 0.000 0.788 101 P CB -0.220 31.429 31.700 -0.085 0.000 0.949 102 P HA 0.338 nan 4.420 nan 0.000 0.274 102 P C -0.482 176.726 177.300 -0.154 0.000 1.231 102 P CA -0.103 62.920 63.100 -0.128 0.000 0.790 102 P CB 0.683 32.336 31.700 -0.080 0.000 0.951 103 R N -0.106 120.293 120.500 -0.169 0.000 2.854 103 R HA 0.394 4.734 4.340 0.000 0.000 0.271 103 R C 0.123 176.437 176.300 0.023 0.000 0.994 103 R CA -0.796 55.239 56.100 -0.108 0.000 0.945 103 R CB 0.493 30.631 30.300 -0.269 0.000 1.194 103 R HN 0.546 nan 8.270 nan 0.000 0.476 104 H N 3.745 122.838 119.070 0.039 0.000 2.848 104 H HA 0.052 4.608 4.556 0.000 0.000 0.341 104 H C -1.473 173.929 175.328 0.123 0.000 1.060 104 H CA -1.333 54.763 56.048 0.080 0.000 1.444 104 H CB 1.344 31.154 29.762 0.080 0.000 1.446 104 H HN 0.359 nan 8.280 nan 0.000 0.583 105 P HA -0.047 nan 4.420 nan 0.000 0.226 105 P C 1.253 178.749 177.300 0.327 0.000 1.153 105 P CA 1.030 64.237 63.100 0.179 0.000 0.777 105 P CB -0.013 31.717 31.700 0.051 0.000 0.794 106 G N -0.228 108.952 108.800 0.634 0.000 2.534 106 G HA2 -0.038 3.922 3.960 0.000 0.000 0.217 106 G HA3 -0.038 3.922 3.960 0.000 0.000 0.217 106 G C 0.603 175.682 174.900 0.298 0.000 1.128 106 G CA -0.000 45.363 45.100 0.439 0.000 0.784 106 G HN 0.149 nan 8.290 nan 0.000 0.542 107 L N 0.942 122.349 121.223 0.306 0.000 2.483 107 L HA 0.201 4.541 4.340 0.000 0.000 0.276 107 L C 0.697 177.688 176.870 0.202 0.000 1.213 107 L CA -0.018 54.976 54.840 0.257 0.000 0.843 107 L CB 0.546 42.805 42.059 0.334 0.000 1.107 107 L HN 0.147 nan 8.230 nan 0.000 0.487 108 R N 2.874 123.472 120.500 0.164 0.000 2.235 108 R HA 0.338 4.678 4.340 0.000 0.000 0.338 108 R C -1.001 175.326 176.300 0.045 0.000 1.087 108 R CA -0.617 55.547 56.100 0.107 0.000 0.948 108 R CB 0.327 30.691 30.300 0.107 0.000 1.099 108 R HN 0.283 nan 8.270 nan 0.000 0.483 109 V N 3.865 123.778 119.914 -0.003 0.000 2.498 109 V HA 0.048 4.169 4.120 0.000 0.000 0.279 109 V C 0.663 176.644 176.094 -0.187 0.000 1.048 109 V CA -0.461 61.749 62.300 -0.149 0.000 0.967 109 V CB 1.245 33.020 31.823 -0.081 0.000 0.988 109 V HN 0.765 nan 8.190 nan 0.000 0.473 110 N N 1.936 120.445 118.700 -0.318 0.000 2.197 110 N HA 0.167 4.908 4.740 0.000 0.000 0.201 110 N C 0.093 175.418 175.510 -0.308 0.000 1.148 110 N CA -0.024 52.836 53.050 -0.318 0.000 0.883 110 N CB 0.929 39.136 38.487 -0.467 0.000 1.012 110 N HN 0.526 nan 8.380 nan 0.000 0.507 111 S N -0.520 114.977 115.700 -0.338 0.000 2.592 111 S HA 0.237 4.707 4.470 0.000 0.000 0.275 111 S C -0.476 173.971 174.600 -0.256 0.000 1.169 111 S CA -0.523 57.518 58.200 -0.266 0.000 0.958 111 S CB 1.204 64.252 63.200 -0.253 0.000 1.095 111 S HN -0.033 nan 8.310 nan 0.000 0.471 112 Q N 2.391 122.101 119.800 -0.150 0.000 2.259 112 Q HA 0.271 4.611 4.340 0.000 0.000 0.201 112 Q C -0.313 175.606 176.000 -0.135 0.000 0.938 112 Q CA 0.889 56.675 55.803 -0.030 0.000 0.872 112 Q CB 0.218 28.952 28.738 -0.008 0.000 0.971 112 Q HN 0.583 nan 8.270 nan 0.000 0.494 113 K N 1.749 121.927 120.400 -0.370 0.000 2.621 113 K HA 0.307 4.627 4.320 0.000 0.000 0.233 113 K C -2.504 173.678 176.600 -0.697 0.000 0.972 113 K CA -1.413 54.292 56.287 -0.969 0.000 0.988 113 K CB 1.966 33.815 32.500 -1.084 0.000 1.187 113 K HN 0.003 nan 8.250 nan 0.000 0.471 114 P HA 0.067 nan 4.420 nan 0.000 0.274 114 P C -0.745 176.543 177.300 -0.021 0.000 1.231 114 P CA -0.458 62.599 63.100 -0.072 0.000 0.790 114 P CB 0.593 32.460 31.700 0.278 0.000 0.951 115 F N 2.803 122.739 119.950 -0.023 0.000 2.445 115 F HA 0.272 4.799 4.527 0.000 0.000 0.359 115 F C 0.123 175.947 175.800 0.039 0.000 1.101 115 F CA 0.157 58.151 58.000 -0.010 0.000 1.177 115 F CB 0.175 39.191 39.000 0.027 0.000 1.110 115 F HN 0.187 nan 8.300 nan 0.000 0.522 116 N N 5.223 123.550 118.700 -0.622 0.000 2.430 116 N HA 0.691 5.431 4.740 0.000 0.000 0.290 116 N C -1.566 173.614 175.510 -0.550 0.000 1.063 116 N CA -0.537 52.301 53.050 -0.353 0.000 0.883 116 N CB 1.948 40.276 38.487 -0.264 0.000 1.465 116 N HN 0.665 nan 8.380 nan 0.000 0.493 117 A N 1.513 124.268 122.820 -0.108 0.000 2.612 117 A HA 0.611 4.931 4.320 0.000 0.000 0.293 117 A C -1.380 176.482 177.584 0.464 0.000 1.075 117 A CA -0.774 51.272 52.037 0.014 0.000 0.680 117 A CB 1.834 20.749 19.000 -0.141 0.000 1.279 117 A HN 0.663 nan 8.150 nan 0.000 0.411 118 E N 1.002 121.441 120.200 0.400 0.000 2.312 118 E HA 0.740 5.091 4.350 0.000 0.000 0.267 118 E C -2.983 173.763 176.600 0.244 0.000 0.894 118 E CA -2.199 54.425 56.400 0.374 0.000 0.773 118 E CB 2.737 32.671 29.700 0.389 0.000 1.241 118 E HN 0.343 nan 8.360 nan 0.000 0.432 119 P HA 0.213 nan 4.420 nan 0.000 0.274 119 P C -2.530 174.858 177.300 0.146 0.000 1.237 119 P CA -1.746 61.448 63.100 0.157 0.000 0.793 119 P CB -0.478 31.289 31.700 0.112 0.000 0.977 120 P HA -0.035 nan 4.420 nan 0.000 0.261 120 P C 0.839 178.212 177.300 0.122 0.000 1.183 120 P CA 0.539 63.720 63.100 0.136 0.000 0.761 120 P CB -0.063 31.723 31.700 0.144 0.000 0.785 121 A N 5.416 128.304 122.820 0.113 0.000 1.948 121 A HA -0.246 4.074 4.320 0.000 0.000 0.220 121 A C 1.882 179.520 177.584 0.089 0.000 1.177 121 A CA 1.716 53.817 52.037 0.106 0.000 0.636 121 A CB -0.934 18.131 19.000 0.109 0.000 0.815 121 A HN 0.654 nan 8.150 nan 0.000 0.449 122 E N 0.362 120.616 120.200 0.090 0.000 2.267 122 E HA -0.167 4.183 4.350 0.000 0.000 0.197 122 E C 1.649 178.306 176.600 0.094 0.000 0.998 122 E CA 1.305 57.753 56.400 0.080 0.000 0.830 122 E CB -0.492 29.259 29.700 0.085 0.000 0.751 122 E HN 0.681 nan 8.360 nan 0.000 0.491 123 L N 0.218 121.510 121.223 0.115 0.000 2.477 123 L HA 0.123 4.463 4.340 0.000 0.000 0.220 123 L C 2.543 179.446 176.870 0.055 0.000 1.106 123 L CA -0.094 54.818 54.840 0.120 0.000 0.851 123 L CB -0.209 41.956 42.059 0.178 0.000 0.994 123 L HN 0.032 nan 8.230 nan 0.000 0.462 124 L N 0.624 121.877 121.223 0.050 0.000 2.013 124 L HA -0.215 4.125 4.340 0.000 0.000 0.212 124 L C 2.062 178.874 176.870 -0.096 0.000 1.073 124 L CA 1.619 56.480 54.840 0.035 0.000 0.753 124 L CB -0.307 41.797 42.059 0.076 0.000 0.890 124 L HN 0.298 nan 8.230 nan 0.000 0.432 125 A N -1.590 121.125 122.820 -0.174 0.000 2.577 125 A HA 0.105 4.425 4.320 0.000 0.000 0.280 125 A C 1.289 178.746 177.584 -0.212 0.000 1.331 125 A CA -0.175 51.658 52.037 -0.340 0.000 0.935 125 A CB -0.142 18.611 19.000 -0.412 0.000 1.082 125 A HN 0.216 nan 8.150 nan 0.000 0.525 126 E N 0.129 120.257 120.200 -0.120 0.000 2.447 126 E HA 0.060 4.410 4.350 0.000 0.000 0.195 126 E C 0.568 177.101 176.600 -0.112 0.000 1.028 126 E CA 0.370 56.706 56.400 -0.106 0.000 0.876 126 E CB 0.288 29.917 29.700 -0.119 0.000 0.885 126 E HN 0.648 nan 8.360 nan 0.000 0.500 127 R N -0.572 119.896 120.500 -0.053 0.000 2.561 127 R HA 0.088 4.428 4.340 0.000 0.000 0.266 127 R C 0.064 176.469 176.300 0.175 0.000 1.091 127 R CA -0.425 55.693 56.100 0.030 0.000 0.927 127 R CB 0.424 30.716 30.300 -0.013 0.000 1.240 127 R HN -0.159 nan 8.270 nan 0.000 0.449 128 F N 4.003 124.006 119.950 0.089 0.000 2.095 128 F HA 0.050 4.577 4.527 0.000 0.000 0.298 128 F C 0.089 176.090 175.800 0.334 0.000 1.104 128 F CA 1.380 59.532 58.000 0.254 0.000 1.232 128 F CB 0.232 39.333 39.000 0.168 0.000 0.987 128 F HN 0.333 nan 8.300 nan 0.000 0.475 129 L N 1.436 122.699 121.223 0.067 0.000 2.275 129 L HA 0.260 4.600 4.340 0.000 0.000 0.288 129 L C 0.146 176.985 176.870 -0.050 0.000 1.046 129 L CA -0.624 54.135 54.840 -0.135 0.000 0.805 129 L CB 1.197 43.195 42.059 -0.101 0.000 1.193 129 L HN -0.165 nan 8.230 nan 0.000 0.426 130 T N 4.289 118.787 114.554 -0.094 0.000 2.814 130 T HA 0.198 4.548 4.350 0.000 0.000 0.297 130 T C -2.289 172.385 174.700 -0.044 0.000 0.956 130 T CA -1.041 61.029 62.100 -0.051 0.000 1.123 130 T CB 0.654 69.421 68.868 -0.168 0.000 0.902 130 T HN 0.314 nan 8.240 nan 0.000 0.528 131 P HA 0.072 nan 4.420 nan 0.000 0.265 131 P C 0.693 177.962 177.300 -0.050 0.000 1.187 131 P CA -0.171 62.884 63.100 -0.074 0.000 0.766 131 P CB 0.481 32.114 31.700 -0.111 0.000 0.820 132 N N 2.054 120.703 118.700 -0.085 0.000 2.149 132 N HA -0.170 4.570 4.740 0.000 0.000 0.188 132 N C 1.151 176.675 175.510 0.023 0.000 1.019 132 N CA 1.458 54.450 53.050 -0.096 0.000 0.857 132 N CB -0.421 37.994 38.487 -0.121 0.000 0.997 132 N HN 0.528 nan 8.380 nan 0.000 0.426 133 E N -0.045 120.157 120.200 0.004 0.000 2.268 133 E HA 0.001 4.351 4.350 0.000 0.000 0.195 133 E C 1.386 178.014 176.600 0.046 0.000 0.995 133 E CA 0.542 56.965 56.400 0.038 0.000 0.836 133 E CB -0.032 29.655 29.700 -0.022 0.000 0.763 133 E HN 0.398 nan 8.360 nan 0.000 0.491 134 L N -0.803 120.426 121.223 0.010 0.000 2.664 134 L HA 0.234 4.574 4.340 0.000 0.000 0.233 134 L C 0.332 177.286 176.870 0.140 0.000 1.113 134 L CA -0.606 54.255 54.840 0.036 0.000 0.896 134 L CB 0.171 42.193 42.059 -0.063 0.000 1.163 134 L HN 0.051 nan 8.230 nan 0.000 0.497 135 F N 2.645 122.591 119.950 -0.007 0.000 2.608 135 F HA 0.005 4.532 4.527 0.000 0.000 0.380 135 F C 0.753 176.635 175.800 0.136 0.000 1.083 135 F CA -1.184 56.794 58.000 -0.038 0.000 1.266 135 F CB 0.245 39.045 39.000 -0.334 0.000 1.076 135 F HN -0.022 nan 8.300 nan 0.000 0.574 136 F N 3.804 123.752 119.950 -0.004 0.000 2.595 136 F HA 0.390 4.917 4.527 0.000 0.000 0.359 136 F C -0.210 175.826 175.800 0.393 0.000 1.147 136 F CA -0.700 57.379 58.000 0.131 0.000 1.341 136 F CB -0.258 38.669 39.000 -0.123 0.000 1.104 136 F HN 0.363 nan 8.300 nan 0.000 0.603 137 T N 5.123 119.821 114.554 0.241 0.000 2.824 137 T HA 0.424 4.774 4.350 0.000 0.000 0.282 137 T C -0.790 174.037 174.700 0.213 0.000 0.993 137 T CA -0.773 61.401 62.100 0.123 0.000 0.967 137 T CB 1.189 70.240 68.868 0.304 0.000 0.960 137 T HN 0.635 nan 8.240 nan 0.000 0.441 138 R N 3.346 123.882 120.500 0.060 0.000 2.467 138 R HA 0.373 4.713 4.340 0.000 0.000 0.299 138 R C -1.487 174.844 176.300 0.052 0.000 1.120 138 R CA -0.584 55.620 56.100 0.173 0.000 0.940 138 R CB 0.575 31.009 30.300 0.222 0.000 1.161 138 R HN 0.551 nan 8.270 nan 0.000 0.506 139 N N 1.866 120.619 118.700 0.088 0.000 2.342 139 N HA 0.237 4.977 4.740 0.000 0.000 0.293 139 N C 0.202 175.728 175.510 0.027 0.000 1.026 139 N CA -0.496 52.633 53.050 0.131 0.000 0.857 139 N CB 1.469 40.112 38.487 0.260 0.000 1.256 139 N HN 0.487 nan 8.380 nan 0.000 0.484 140 H N 0.381 119.471 119.070 0.033 0.000 2.525 140 H HA 0.348 4.904 4.556 0.000 0.000 0.275 140 H C 0.069 175.496 175.328 0.165 0.000 0.984 140 H CA 0.807 56.900 56.048 0.074 0.000 1.264 140 H CB 0.560 30.276 29.762 -0.075 0.000 1.432 140 H HN 0.327 nan 8.280 nan 0.000 0.549 141 L N -0.984 120.383 121.223 0.241 0.000 2.301 141 L HA 0.433 4.773 4.340 0.000 0.000 0.249 141 L C -2.401 174.518 176.870 0.081 0.000 1.069 141 L CA -2.626 52.317 54.840 0.171 0.000 0.865 141 L CB 1.906 44.003 42.059 0.064 0.000 1.467 141 L HN -0.198 nan 8.230 nan 0.000 0.419 142 P HA 0.045 nan 4.420 nan 0.000 0.268 142 P C -0.859 176.230 177.300 -0.352 0.000 1.208 142 P CA -0.205 62.657 63.100 -0.398 0.000 0.777 142 P CB 0.399 31.661 31.700 -0.730 0.000 0.875 143 V N 4.806 124.534 119.914 -0.311 0.000 2.508 143 V HA 0.154 4.274 4.120 0.000 0.000 0.281 143 V C -1.871 173.883 176.094 -0.566 0.000 1.041 143 V CA -1.351 60.598 62.300 -0.585 0.000 1.016 143 V CB 0.200 31.874 31.823 -0.248 0.000 0.984 143 V HN 0.567 nan 8.190 nan 0.000 0.478 144 P HA 0.221 nan 4.420 nan 0.000 0.268 144 P C -0.614 176.552 177.300 -0.223 0.000 1.204 144 P CA 0.039 62.859 63.100 -0.467 0.000 0.768 144 P CB 0.544 31.961 31.700 -0.472 0.000 0.842 145 A N 3.583 126.341 122.820 -0.103 0.000 2.260 145 A HA 0.489 4.809 4.320 0.000 0.000 0.312 145 A C -0.411 177.209 177.584 0.060 0.000 1.321 145 A CA -0.412 51.618 52.037 -0.013 0.000 0.928 145 A CB 0.051 19.033 19.000 -0.030 0.000 1.158 145 A HN 0.358 nan 8.150 nan 0.000 0.542 146 V N 2.502 122.515 119.914 0.165 0.000 2.495 146 V HA 0.358 4.478 4.120 0.000 0.000 0.298 146 V C -0.040 176.202 176.094 0.247 0.000 1.031 146 V CA -0.690 61.742 62.300 0.219 0.000 0.871 146 V CB 1.563 33.550 31.823 0.274 0.000 0.988 146 V HN 0.948 nan 8.190 nan 0.000 0.432 147 E N 7.122 127.430 120.200 0.179 0.000 2.152 147 E HA 0.345 4.695 4.350 0.000 0.000 0.285 147 E C -1.818 174.892 176.600 0.183 0.000 1.043 147 E CA -1.882 54.611 56.400 0.156 0.000 0.839 147 E CB 1.605 31.364 29.700 0.100 0.000 1.069 147 E HN 0.335 nan 8.360 nan 0.000 0.399 148 P HA -0.242 nan 4.420 nan 0.000 0.214 148 P C 1.124 178.498 177.300 0.123 0.000 1.163 148 P CA 1.897 65.096 63.100 0.165 0.000 0.889 148 P CB -0.013 31.805 31.700 0.197 0.000 0.790 149 S N -0.601 115.160 115.700 0.102 0.000 2.419 149 S HA -0.118 4.352 4.470 0.000 0.000 0.233 149 S C 1.942 176.594 174.600 0.087 0.000 1.016 149 S CA 1.587 59.835 58.200 0.079 0.000 0.974 149 S CB -1.428 61.806 63.200 0.057 0.000 0.786 149 S HN 0.312 nan 8.310 nan 0.000 0.492 150 S N -0.628 115.132 115.700 0.099 0.000 2.535 150 S HA 0.207 4.677 4.470 0.000 0.000 0.214 150 S C 0.357 175.013 174.600 0.094 0.000 0.980 150 S CA -0.755 57.492 58.200 0.079 0.000 0.907 150 S CB -0.835 62.400 63.200 0.058 0.000 0.790 150 S HN 0.593 nan 8.310 nan 0.000 0.510 151 Y N 3.820 124.128 120.300 0.014 0.000 2.712 151 Y HA 0.390 4.940 4.550 0.000 0.000 0.333 151 Y C 0.113 176.015 175.900 0.004 0.000 1.225 151 Y CA -0.125 57.977 58.100 0.003 0.000 1.499 151 Y CB 0.408 38.850 38.460 -0.030 0.000 1.288 151 Y HN 0.071 nan 8.280 nan 0.000 0.575 152 R N 6.567 126.630 120.500 -0.728 0.000 2.574 152 R HA 0.371 4.712 4.340 0.000 0.000 0.288 152 R C -1.915 173.923 176.300 -0.770 0.000 1.004 152 R CA -1.239 54.539 56.100 -0.536 0.000 0.895 152 R CB 1.771 31.940 30.300 -0.220 0.000 1.191 152 R HN 0.782 nan 8.270 nan 0.000 0.444 153 L N 2.871 123.841 121.223 -0.422 0.000 2.264 153 L HA 0.482 4.822 4.340 0.000 0.000 0.289 153 L C -0.066 176.775 176.870 -0.048 0.000 1.044 153 L CA -0.319 54.412 54.840 -0.181 0.000 0.807 153 L CB 0.891 42.994 42.059 0.073 0.000 1.192 153 L HN 0.521 nan 8.230 nan 0.000 0.425 154 R N 4.330 124.815 120.500 -0.026 0.000 2.312 154 R HA 0.721 5.061 4.340 0.000 0.000 0.311 154 R C -1.528 174.817 176.300 0.075 0.000 1.004 154 R CA -0.475 55.640 56.100 0.025 0.000 0.902 154 R CB 1.499 31.808 30.300 0.014 0.000 1.073 154 R HN 0.593 nan 8.270 nan 0.000 0.457 155 V N 3.906 123.883 119.914 0.105 0.000 2.577 155 V HA 0.656 4.776 4.120 0.000 0.000 0.303 155 V C -1.561 174.641 176.094 0.180 0.000 1.042 155 V CA -0.229 62.163 62.300 0.152 0.000 0.872 155 V CB 1.545 33.475 31.823 0.179 0.000 0.998 155 V HN 1.123 nan 8.190 nan 0.000 0.423 156 D N 4.274 124.804 120.400 0.215 0.000 3.344 156 D HA 0.933 5.573 4.640 0.000 0.000 0.308 156 D C 0.210 176.751 176.300 0.401 0.000 1.356 156 D CA -0.114 54.027 54.000 0.236 0.000 0.998 156 D CB 1.074 41.958 40.800 0.139 0.000 1.370 156 D HN 1.785 nan 8.370 nan 0.000 0.610 157 G N -1.341 107.651 108.800 0.320 0.000 2.459 157 G HA2 0.246 4.206 3.960 0.000 0.000 0.685 157 G HA3 0.246 4.206 3.960 0.000 0.000 0.685 157 G C -3.036 172.078 174.900 0.357 0.000 1.303 157 G CA -0.698 44.630 45.100 0.381 0.000 0.907 157 G HN 0.572 nan 8.290 nan 0.000 0.632 158 P HA 0.448 nan 4.420 nan 0.000 0.275 158 P C 0.973 178.370 177.300 0.162 0.000 1.276 158 P CA 1.390 64.619 63.100 0.215 0.000 0.782 158 P CB 0.737 32.591 31.700 0.257 0.000 0.851 159 G N 2.035 110.815 108.800 -0.033 0.000 2.192 159 G HA2 -0.005 3.955 3.960 0.000 0.000 0.193 159 G HA3 -0.005 3.955 3.960 0.000 0.000 0.193 159 G C 0.163 174.738 174.900 -0.540 0.000 0.999 159 G CA -0.268 44.721 45.100 -0.184 0.000 0.659 159 G HN 0.897 nan 8.290 nan 0.000 0.503 160 G N -0.541 107.820 108.800 -0.731 0.000 2.667 160 G HA2 0.762 4.722 3.960 0.000 0.000 0.298 160 G HA3 0.762 4.722 3.960 0.000 0.000 0.298 160 G C 0.534 175.197 174.900 -0.395 0.000 1.377 160 G CA 0.384 44.914 45.100 -0.950 0.000 0.964 160 G HN 1.108 nan 8.290 nan 0.000 0.493 161 G N -0.508 108.128 108.800 -0.275 0.000 2.447 161 G HA2 0.430 4.390 3.960 0.000 0.000 0.269 161 G HA3 0.430 4.390 3.960 0.000 0.000 0.269 161 G C -0.264 174.602 174.900 -0.056 0.000 1.455 161 G CA 0.192 45.214 45.100 -0.131 0.000 1.061 161 G HN 0.706 nan 8.290 nan 0.000 0.545 162 T N 1.064 115.608 114.554 -0.016 0.000 2.934 162 T HA 0.462 4.812 4.350 0.000 0.000 0.328 162 T C 0.120 174.843 174.700 0.039 0.000 1.068 162 T CA -0.175 61.941 62.100 0.028 0.000 1.018 162 T CB 0.507 69.391 68.868 0.026 0.000 1.009 162 T HN 0.302 nan 8.240 nan 0.000 0.471 163 L N 1.768 123.034 121.223 0.072 0.000 2.399 163 L HA 0.734 5.074 4.340 0.000 0.000 0.265 163 L C 0.673 177.590 176.870 0.079 0.000 1.089 163 L CA -0.778 54.119 54.840 0.095 0.000 0.802 163 L CB 1.273 43.431 42.059 0.165 0.000 1.180 163 L HN 0.509 nan 8.230 nan 0.000 0.454 164 S N 2.214 117.960 115.700 0.076 0.000 2.496 164 S HA 0.516 4.986 4.470 0.000 0.000 0.221 164 S C -0.912 173.723 174.600 0.057 0.000 1.260 164 S CA -0.603 57.621 58.200 0.041 0.000 1.181 164 S CB 0.112 63.322 63.200 0.017 0.000 1.136 164 S HN 0.439 nan 8.310 nan 0.000 0.467 165 L N 4.257 125.524 121.223 0.073 0.000 2.275 165 L HA 0.537 4.877 4.340 0.000 0.000 0.288 165 L C 0.859 177.788 176.870 0.099 0.000 1.046 165 L CA -0.638 54.270 54.840 0.113 0.000 0.805 165 L CB 1.715 43.888 42.059 0.191 0.000 1.193 165 L HN 0.692 nan 8.230 nan 0.000 0.426 166 S N 2.105 117.864 115.700 0.098 0.000 2.614 166 S HA 0.181 4.651 4.470 0.000 0.000 0.265 166 S C 0.893 175.587 174.600 0.158 0.000 1.303 166 S CA -0.719 57.557 58.200 0.127 0.000 1.000 166 S CB 1.296 64.540 63.200 0.074 0.000 0.935 166 S HN 0.568 nan 8.310 nan 0.000 0.551 167 L N 1.862 123.186 121.223 0.167 0.000 2.042 167 L HA 0.005 4.345 4.340 0.000 0.000 0.210 167 L C 2.686 179.517 176.870 -0.066 0.000 1.076 167 L CA 2.460 57.300 54.840 0.000 0.000 0.749 167 L CB -1.680 40.309 42.059 -0.117 0.000 0.893 167 L HN 0.966 nan 8.230 nan 0.000 0.432 168 A N -0.648 122.152 122.820 -0.033 0.000 1.873 168 A HA -0.284 4.036 4.320 0.000 0.000 0.218 168 A C 2.130 179.686 177.584 -0.047 0.000 1.193 168 A CA 2.100 54.105 52.037 -0.053 0.000 0.629 168 A CB -0.754 18.230 19.000 -0.025 0.000 0.826 168 A HN 0.635 nan 8.150 nan 0.000 0.447 169 E N -0.784 119.413 120.200 -0.006 0.000 2.077 169 E HA -0.190 4.160 4.350 0.000 0.000 0.193 169 E C 1.923 178.550 176.600 0.044 0.000 0.989 169 E CA 1.142 57.539 56.400 -0.005 0.000 0.800 169 E CB -0.306 29.410 29.700 0.027 0.000 0.746 169 E HN 0.476 nan 8.360 nan 0.000 0.452 170 L N 1.331 122.624 121.223 0.117 0.000 2.042 170 L HA -0.196 4.144 4.340 0.000 0.000 0.210 170 L C 2.165 179.138 176.870 0.171 0.000 1.076 170 L CA 1.745 56.733 54.840 0.247 0.000 0.749 170 L CB -0.094 42.055 42.059 0.150 0.000 0.893 170 L HN -0.041 nan 8.230 nan 0.000 0.432 171 R N -1.315 119.116 120.500 -0.115 0.000 2.119 171 R HA -0.039 4.301 4.340 0.000 0.000 0.222 171 R C 2.248 178.524 176.300 -0.040 0.000 1.088 171 R CA 1.360 57.338 56.100 -0.203 0.000 0.984 171 R CB -0.264 29.806 30.300 -0.383 0.000 0.884 171 R HN 0.590 nan 8.270 nan 0.000 0.447 172 S N 0.143 115.806 115.700 -0.061 0.000 2.475 172 S HA -0.004 4.466 4.470 0.000 0.000 0.224 172 S C 1.976 176.493 174.600 -0.138 0.000 1.042 172 S CA -0.012 58.143 58.200 -0.074 0.000 0.935 172 S CB 0.031 63.184 63.200 -0.079 0.000 0.801 172 S HN 0.191 nan 8.310 nan 0.000 0.509 173 R N 0.597 120.936 120.500 -0.268 0.000 2.073 173 R HA 0.123 4.463 4.340 0.000 0.000 0.229 173 R C -0.606 175.304 176.300 -0.650 0.000 1.120 173 R CA 0.851 56.595 56.100 -0.594 0.000 0.967 173 R CB -0.104 29.576 30.300 -1.034 0.000 0.862 173 R HN 0.414 nan 8.270 nan 0.000 0.436 174 F N 1.716 121.657 119.950 -0.014 0.000 2.421 174 F HA 0.427 4.954 4.527 0.000 0.000 0.337 174 F C -1.886 173.963 175.800 0.082 0.000 1.105 174 F CA -3.378 54.643 58.000 0.034 0.000 1.049 174 F CB 0.820 39.852 39.000 0.054 0.000 1.139 174 F HN -0.035 nan 8.300 nan 0.000 0.479 175 P HA -0.014 nan 4.420 nan 0.000 0.264 175 P C -0.696 176.738 177.300 0.223 0.000 1.193 175 P CA -0.302 62.906 63.100 0.179 0.000 0.763 175 P CB 0.536 32.337 31.700 0.168 0.000 0.810 176 K N 3.278 123.750 120.400 0.119 0.000 2.297 176 K HA 0.179 4.499 4.320 0.000 0.000 0.286 176 K C -0.644 175.932 176.600 -0.040 0.000 1.053 176 K CA -0.331 56.028 56.287 0.120 0.000 0.940 176 K CB 0.140 32.725 32.500 0.141 0.000 1.019 176 K HN 0.527 nan 8.250 nan 0.000 0.475 177 H N 1.741 120.814 119.070 0.005 0.000 2.621 177 H HA 0.305 4.861 4.556 0.000 0.000 0.360 177 H C -0.852 174.459 175.328 -0.027 0.000 1.163 177 H CA -0.577 55.471 56.048 -0.001 0.000 1.194 177 H CB 1.619 31.381 29.762 0.000 0.000 1.649 177 H HN 0.546 nan 8.280 nan 0.000 0.532 178 E N 1.310 121.575 120.200 0.108 0.000 2.199 178 E HA 0.544 4.894 4.350 0.000 0.000 0.269 178 E C -1.131 175.539 176.600 0.117 0.000 0.899 178 E CA -0.892 55.551 56.400 0.071 0.000 0.772 178 E CB 2.714 32.436 29.700 0.036 0.000 1.155 178 E HN 0.136 nan 8.360 nan 0.000 0.408 179 V N 2.127 122.117 119.914 0.126 0.000 2.623 179 V HA 0.258 4.378 4.120 0.000 0.000 0.304 179 V C -0.416 175.804 176.094 0.210 0.000 1.054 179 V CA -0.805 61.600 62.300 0.176 0.000 0.882 179 V CB 2.227 34.117 31.823 0.111 0.000 1.002 179 V HN 0.690 nan 8.190 nan 0.000 0.424 180 T N 4.573 119.263 114.554 0.227 0.000 2.728 180 T HA 0.724 5.074 4.350 0.000 0.000 0.296 180 T C 0.005 174.861 174.700 0.260 0.000 0.940 180 T CA -0.059 62.139 62.100 0.163 0.000 1.013 180 T CB 1.015 69.986 68.868 0.170 0.000 0.912 180 T HN 1.005 nan 8.240 nan 0.000 0.484 181 A N 3.150 126.118 122.820 0.247 0.000 2.486 181 A HA 0.720 5.040 4.320 0.000 0.000 0.300 181 A C -0.000 177.661 177.584 0.129 0.000 1.048 181 A CA -0.841 51.359 52.037 0.271 0.000 0.696 181 A CB 1.382 20.499 19.000 0.194 0.000 1.278 181 A HN 0.587 nan 8.150 nan 0.000 0.405 182 T N 2.628 117.154 114.554 -0.046 0.000 2.806 182 T HA 0.504 4.854 4.350 0.000 0.000 0.290 182 T C -0.232 174.222 174.700 -0.410 0.000 0.966 182 T CA 0.093 61.919 62.100 -0.457 0.000 1.060 182 T CB 0.115 68.468 68.868 -0.857 0.000 0.927 182 T HN 0.416 nan 8.240 nan 0.000 0.485 183 L N 3.766 124.810 121.223 -0.299 0.000 2.287 183 L HA 0.485 4.825 4.340 0.000 0.000 0.287 183 L C 0.191 176.874 176.870 -0.312 0.000 1.022 183 L CA -0.539 54.197 54.840 -0.173 0.000 0.814 183 L CB 1.454 43.608 42.059 0.158 0.000 1.217 183 L HN 0.534 nan 8.230 nan 0.000 0.420 184 Q N 2.917 122.450 119.800 -0.444 0.000 2.330 184 Q HA 0.269 4.609 4.340 0.000 0.000 0.269 184 Q C -0.987 174.816 176.000 -0.328 0.000 1.022 184 Q CA -0.586 54.895 55.803 -0.536 0.000 0.796 184 Q CB 2.402 30.757 28.738 -0.638 0.000 1.271 184 Q HN 0.765 nan 8.270 nan 0.000 0.450 185 C N 2.856 121.893 119.300 -0.438 0.000 2.652 185 C HA 0.431 4.891 4.460 0.000 0.000 0.412 185 C C 1.864 176.743 174.990 -0.185 0.000 1.294 185 C CA 0.475 59.337 59.018 -0.261 0.000 2.127 185 C CB -0.102 27.376 27.740 -0.437 0.000 2.691 185 C HN 1.020 nan 8.230 nan 0.000 0.615 186 A N 3.618 126.415 122.820 -0.038 0.000 2.076 186 A HA 0.059 4.379 4.320 0.000 0.000 0.220 186 A C 1.955 179.611 177.584 0.120 0.000 1.160 186 A CA 1.917 54.004 52.037 0.083 0.000 0.653 186 A CB -0.774 18.375 19.000 0.248 0.000 0.801 186 A HN 1.367 nan 8.150 nan 0.000 0.455 187 G N -0.708 108.165 108.800 0.122 0.000 3.141 187 G HA2 0.105 4.065 3.960 0.000 0.000 0.218 187 G HA3 0.105 4.065 3.960 0.000 0.000 0.218 187 G C 0.434 175.378 174.900 0.074 0.000 1.170 187 G CA -0.054 45.170 45.100 0.206 0.000 0.769 187 G HN 0.456 nan 8.290 nan 0.000 0.546 188 N N 1.260 119.855 118.700 -0.174 0.000 2.353 188 N HA -0.042 4.698 4.740 0.000 0.000 0.248 188 N C 1.096 176.621 175.510 0.025 0.000 1.240 188 N CA 0.263 53.197 53.050 -0.195 0.000 0.862 188 N CB 0.037 38.370 38.487 -0.258 0.000 1.086 188 N HN 0.329 nan 8.380 nan 0.000 0.453 189 R N 0.035 120.587 120.500 0.086 0.000 3.770 189 R HA -0.274 4.066 4.340 0.000 0.000 0.305 189 R C 1.110 177.500 176.300 0.151 0.000 1.184 189 R CA 1.009 57.178 56.100 0.115 0.000 0.823 189 R CB -1.512 28.836 30.300 0.080 0.000 1.285 189 R HN 0.693 nan 8.270 nan 0.000 0.499 190 R N 1.378 121.999 120.500 0.202 0.000 2.152 190 R HA -0.131 4.209 4.340 0.000 0.000 0.232 190 R C 2.106 178.504 176.300 0.164 0.000 1.117 190 R CA 1.949 58.160 56.100 0.185 0.000 0.981 190 R CB -0.105 30.339 30.300 0.240 0.000 0.870 190 R HN 0.421 nan 8.270 nan 0.000 0.451 191 S N 0.225 116.025 115.700 0.165 0.000 2.419 191 S HA -0.168 4.302 4.470 0.000 0.000 0.235 191 S C 1.442 176.131 174.600 0.149 0.000 1.019 191 S CA 1.473 59.758 58.200 0.142 0.000 0.982 191 S CB -0.163 63.116 63.200 0.132 0.000 0.789 191 S HN 0.556 nan 8.310 nan 0.000 0.490 192 E N 0.334 120.628 120.200 0.158 0.000 2.274 192 E HA 0.057 4.407 4.350 0.000 0.000 0.194 192 E C 2.073 178.782 176.600 0.183 0.000 0.996 192 E CA 0.839 57.337 56.400 0.164 0.000 0.840 192 E CB -0.156 29.647 29.700 0.172 0.000 0.772 192 E HN 0.541 nan 8.360 nan 0.000 0.491 193 M N 0.259 119.973 119.600 0.191 0.000 2.156 193 M HA -0.072 4.408 4.480 0.000 0.000 0.264 193 M C 2.274 178.792 176.300 0.363 0.000 1.067 193 M CA 1.073 56.530 55.300 0.261 0.000 1.131 193 M CB -0.384 32.282 32.600 0.110 0.000 1.368 193 M HN -0.014 nan 8.290 nan 0.000 0.416 194 S N 0.280 116.137 115.700 0.262 0.000 2.419 194 S HA -0.089 4.381 4.470 0.000 0.000 0.233 194 S C 1.838 176.554 174.600 0.192 0.000 1.016 194 S CA 0.966 59.313 58.200 0.246 0.000 0.974 194 S CB -0.330 62.973 63.200 0.172 0.000 0.786 194 S HN 0.432 nan 8.310 nan 0.000 0.492 195 R N 0.366 120.964 120.500 0.163 0.000 2.152 195 R HA -0.031 4.309 4.340 0.000 0.000 0.232 195 R C 1.988 178.341 176.300 0.089 0.000 1.117 195 R CA 1.019 57.187 56.100 0.114 0.000 0.981 195 R CB -0.342 30.022 30.300 0.106 0.000 0.870 195 R HN 0.287 nan 8.270 nan 0.000 0.451 196 V N -0.254 119.730 119.914 0.116 0.000 2.331 196 V HA -0.018 4.102 4.120 0.000 0.000 0.242 196 V C 0.990 177.018 176.094 -0.109 0.000 1.034 196 V CA 1.004 63.306 62.300 0.004 0.000 1.027 196 V CB -0.226 31.607 31.823 0.016 0.000 0.667 196 V HN 0.228 nan 8.190 nan 0.000 0.457 197 R N -0.448 120.035 120.500 -0.029 0.000 2.644 197 R HA 0.286 4.626 4.340 0.000 0.000 0.257 197 R C -3.165 173.319 176.300 0.306 0.000 1.082 197 R CA -1.577 54.485 56.100 -0.063 0.000 0.927 197 R CB 2.219 32.162 30.300 -0.594 0.000 1.258 197 R HN 0.034 nan 8.270 nan 0.000 0.459 198 P HA -0.044 nan 4.420 nan 0.000 0.262 198 P C -0.592 176.980 177.300 0.453 0.000 1.182 198 P CA -0.077 63.201 63.100 0.297 0.000 0.761 198 P CB 0.582 32.405 31.700 0.204 0.000 0.795 199 V N 0.430 120.560 119.914 0.360 0.000 3.113 199 V HA 0.584 4.704 4.120 0.000 0.000 0.316 199 V C -0.316 175.947 176.094 0.282 0.000 1.125 199 V CA -1.236 61.253 62.300 0.314 0.000 1.026 199 V CB 2.192 34.087 31.823 0.120 0.000 1.080 199 V HN 0.310 nan 8.190 nan 0.000 0.444 200 K N 0.882 121.490 120.400 0.347 0.000 2.234 200 K HA 0.709 5.029 4.320 0.000 0.000 0.277 200 K C -0.120 176.612 176.600 0.220 0.000 1.038 200 K CA 0.619 57.086 56.287 0.301 0.000 0.888 200 K CB 0.724 33.489 32.500 0.442 0.000 1.091 200 K HN 1.675 nan 8.250 nan 0.000 0.467 201 G N 2.639 111.530 108.800 0.151 0.000 2.361 201 G HA2 0.042 4.002 3.960 0.000 0.000 0.305 201 G HA3 0.042 4.002 3.960 0.000 0.000 0.305 201 G C -1.368 173.560 174.900 0.048 0.000 1.367 201 G CA -1.129 44.052 45.100 0.135 0.000 0.951 201 G HN 0.541 nan 8.290 nan 0.000 0.615 202 L N 1.515 122.727 121.223 -0.018 0.000 2.490 202 L HA 0.260 4.601 4.340 0.000 0.000 0.274 202 L C -1.303 175.382 176.870 -0.309 0.000 1.201 202 L CA -1.128 53.536 54.840 -0.292 0.000 0.869 202 L CB 0.762 42.447 42.059 -0.624 0.000 1.123 202 L HN 0.362 nan 8.230 nan 0.000 0.484 203 P HA -0.001 nan 4.420 nan 0.000 0.218 203 P C -0.771 176.475 177.300 -0.090 0.000 1.793 203 P CA -0.370 62.659 63.100 -0.119 0.000 0.941 203 P CB -0.343 31.310 31.700 -0.077 0.000 1.919 204 W N 1.020 122.340 121.300 0.032 0.000 2.170 204 W HA 0.051 4.711 4.660 0.000 0.000 0.342 204 W C 1.296 177.828 176.519 0.022 0.000 1.294 204 W CA -0.067 57.286 57.345 0.014 0.000 1.246 204 W CB 0.244 29.701 29.460 -0.006 0.000 1.156 204 W HN 0.188 nan 8.180 nan 0.000 0.572 205 D N 1.278 121.855 120.400 0.295 0.000 2.350 205 D HA 0.104 4.744 4.640 0.000 0.000 0.272 205 D C 1.195 177.577 176.300 0.136 0.000 1.204 205 D CA -0.175 53.933 54.000 0.181 0.000 1.124 205 D CB 0.199 41.087 40.800 0.148 0.000 1.189 205 D HN 0.349 nan 8.370 nan 0.000 0.556 206 I N -2.126 118.491 120.570 0.078 0.000 3.812 206 I HA 0.432 4.602 4.170 0.000 0.000 0.320 206 I C 1.180 177.346 176.117 0.082 0.000 1.276 206 I CA -0.061 61.265 61.300 0.044 0.000 1.164 206 I CB 0.081 38.042 38.000 -0.064 0.000 1.009 206 I HN 0.173 nan 8.210 nan 0.000 0.431 207 G N 1.163 109.982 108.800 0.033 0.000 3.434 207 G HA2 0.447 4.407 3.960 0.000 0.000 0.258 207 G HA3 0.447 4.407 3.960 0.000 0.000 0.258 207 G C 0.807 175.492 174.900 -0.359 0.000 1.128 207 G CA 0.238 45.301 45.100 -0.061 0.000 0.792 207 G HN 0.465 nan 8.290 nan 0.000 0.539 208 A N 0.890 123.319 122.820 -0.651 0.000 3.135 208 A HA 0.674 4.994 4.320 0.000 0.000 0.253 208 A C -0.201 176.286 177.584 -1.829 0.000 1.638 208 A CA -0.233 50.853 52.037 -1.585 0.000 1.295 208 A CB -0.600 17.282 19.000 -1.864 0.000 1.106 208 A HN 0.539 nan 8.150 nan 0.000 0.648 209 I N -0.839 118.836 120.570 -1.492 0.000 2.753 209 I HA 0.470 4.640 4.170 0.000 0.000 0.291 209 I C -1.271 174.373 176.117 -0.788 0.000 1.425 209 I CA 0.109 60.777 61.300 -1.053 0.000 1.039 209 I CB 1.864 39.378 38.000 -0.810 0.000 1.349 209 I HN 0.158 nan 8.210 nan 0.000 0.430 210 S N 3.117 118.285 115.700 -0.886 0.000 2.588 210 S HA 0.676 5.146 4.470 0.000 0.000 0.269 210 S C -1.294 172.515 174.600 -1.317 0.000 1.157 210 S CA -0.602 56.836 58.200 -1.269 0.000 0.824 210 S CB 2.379 64.458 63.200 -1.868 0.000 1.126 210 S HN 0.643 nan 8.310 nan 0.000 0.464 211 T N 1.570 115.418 114.554 -1.178 0.000 2.861 211 T HA 0.855 5.205 4.350 0.000 0.000 0.287 211 T C -0.758 173.703 174.700 -0.399 0.000 1.003 211 T CA -0.470 61.126 62.100 -0.841 0.000 0.977 211 T CB 1.609 69.590 68.868 -1.479 0.000 0.996 211 T HN 0.886 nan 8.240 nan 0.000 0.448 212 A N 2.422 125.005 122.820 -0.395 0.000 2.594 212 A HA 0.837 5.158 4.320 0.000 0.000 0.291 212 A C -0.804 176.265 177.584 -0.858 0.000 1.105 212 A CA -1.092 50.504 52.037 -0.734 0.000 0.694 212 A CB 1.432 19.602 19.000 -1.384 0.000 1.291 212 A HN 0.805 nan 8.150 nan 0.000 0.410 213 R N 0.925 121.020 120.500 -0.676 0.000 2.205 213 R HA 0.432 4.772 4.340 0.000 0.000 0.342 213 R C -1.642 174.354 176.300 -0.508 0.000 1.058 213 R CA -0.097 55.755 56.100 -0.413 0.000 0.904 213 R CB 0.147 30.331 30.300 -0.195 0.000 1.089 213 R HN 0.612 nan 8.270 nan 0.000 0.471 214 W N 2.977 124.191 121.300 -0.143 0.000 2.376 214 W HA 0.537 5.198 4.660 0.000 0.000 0.322 214 W C 0.566 176.972 176.519 -0.188 0.000 1.160 214 W CA -0.664 56.563 57.345 -0.198 0.000 1.218 214 W CB 1.821 31.140 29.460 -0.234 0.000 1.205 214 W HN 0.726 nan 8.180 nan 0.000 0.559 215 G N 0.760 109.546 108.800 -0.022 0.000 2.590 215 G HA2 0.718 4.678 3.960 0.000 0.000 0.310 215 G HA3 0.718 4.678 3.960 0.000 0.000 0.310 215 G C -0.665 173.939 174.900 -0.494 0.000 1.347 215 G CA -0.248 44.752 45.100 -0.167 0.000 0.963 215 G HN 0.844 nan 8.290 nan 0.000 0.494 216 G N -0.380 108.118 108.800 -0.504 0.000 2.364 216 G HA2 0.699 4.659 3.960 0.000 0.000 0.286 216 G HA3 0.699 4.659 3.960 0.000 0.000 0.286 216 G C -0.840 173.922 174.900 -0.229 0.000 1.241 216 G CA 0.224 44.800 45.100 -0.874 0.000 0.887 216 G HN 1.476 nan 8.290 nan 0.000 0.484 217 A N -0.183 122.600 122.820 -0.061 0.000 2.316 217 A HA 0.733 5.053 4.320 0.000 0.000 0.284 217 A C 0.541 178.059 177.584 -0.108 0.000 1.115 217 A CA -0.340 51.712 52.037 0.026 0.000 0.812 217 A CB 0.343 19.334 19.000 -0.016 0.000 1.064 217 A HN 0.610 nan 8.150 nan 0.000 0.489 218 R N 1.727 122.162 120.500 -0.109 0.000 2.442 218 R HA 0.136 4.476 4.340 0.000 0.000 0.291 218 R C 0.975 177.147 176.300 -0.214 0.000 1.069 218 R CA -0.446 55.538 56.100 -0.194 0.000 1.022 218 R CB 0.566 30.710 30.300 -0.260 0.000 0.976 218 R HN 0.821 nan 8.270 nan 0.000 0.443 219 L N 3.372 124.474 121.223 -0.202 0.000 2.042 219 L HA -0.263 4.077 4.340 0.000 0.000 0.210 219 L C 2.711 179.488 176.870 -0.156 0.000 1.076 219 L CA 1.761 56.496 54.840 -0.174 0.000 0.749 219 L CB -0.298 41.682 42.059 -0.132 0.000 0.893 219 L HN 0.705 nan 8.230 nan 0.000 0.432 220 R N 0.025 120.433 120.500 -0.152 0.000 2.112 220 R HA -0.245 4.095 4.340 0.000 0.000 0.242 220 R C 1.775 178.039 176.300 -0.061 0.000 1.137 220 R CA 2.420 58.447 56.100 -0.121 0.000 0.944 220 R CB -0.333 29.898 30.300 -0.114 0.000 0.857 220 R HN 0.404 nan 8.270 nan 0.000 0.435 221 D N -0.174 120.188 120.400 -0.064 0.000 2.144 221 D HA -0.108 4.532 4.640 0.000 0.000 0.199 221 D C 1.994 178.314 176.300 0.033 0.000 0.984 221 D CA 1.189 55.212 54.000 0.039 0.000 0.834 221 D CB -0.133 40.729 40.800 0.104 0.000 0.955 221 D HN 0.144 nan 8.370 nan 0.000 0.465 222 V N 0.901 120.654 119.914 -0.270 0.000 2.427 222 V HA -0.169 3.951 4.120 0.000 0.000 0.248 222 V C 2.575 178.722 176.094 0.088 0.000 1.051 222 V CA 1.006 63.119 62.300 -0.312 0.000 1.048 222 V CB -0.365 31.159 31.823 -0.498 0.000 0.666 222 V HN 0.182 nan 8.190 nan 0.000 0.456 223 L N -0.904 120.363 121.223 0.072 0.000 2.093 223 L HA -0.118 4.222 4.340 0.000 0.000 0.208 223 L C 2.344 179.403 176.870 0.314 0.000 1.085 223 L CA 1.248 56.217 54.840 0.215 0.000 0.755 223 L CB -0.385 41.693 42.059 0.031 0.000 0.904 223 L HN 0.296 nan 8.230 nan 0.000 0.435 224 L N -1.016 120.330 121.223 0.206 0.000 2.093 224 L HA -0.238 4.102 4.340 0.000 0.000 0.208 224 L C 2.653 179.647 176.870 0.207 0.000 1.085 224 L CA 1.069 56.024 54.840 0.191 0.000 0.755 224 L CB -0.578 41.567 42.059 0.144 0.000 0.904 224 L HN 0.321 nan 8.230 nan 0.000 0.435 225 H N 0.263 119.449 119.070 0.193 0.000 2.387 225 H HA -0.125 4.431 4.556 0.000 0.000 0.299 225 H C 2.044 177.458 175.328 0.143 0.000 1.090 225 H CA 1.389 57.560 56.048 0.206 0.000 1.332 225 H CB 0.127 30.127 29.762 0.397 0.000 1.386 225 H HN 0.274 nan 8.280 nan 0.000 0.516 226 A N -0.756 122.112 122.820 0.080 0.000 2.121 226 A HA 0.184 4.504 4.320 0.000 0.000 0.218 226 A C 2.115 179.565 177.584 -0.223 0.000 1.154 226 A CA 1.190 53.205 52.037 -0.038 0.000 0.679 226 A CB -0.753 18.369 19.000 0.203 0.000 0.795 226 A HN 0.869 nan 8.150 nan 0.000 0.458 227 G N -2.838 105.872 108.800 -0.149 0.000 2.163 227 G HA2 -0.185 3.775 3.960 0.000 0.000 0.213 227 G HA3 -0.185 3.775 3.960 0.000 0.000 0.213 227 G C -0.019 174.752 174.900 -0.215 0.000 0.991 227 G CA -0.103 44.875 45.100 -0.203 0.000 0.653 227 G HN 0.283 nan 8.290 nan 0.000 0.518 228 F N 2.281 122.244 119.950 0.022 0.000 2.410 228 F HA 0.504 5.031 4.527 0.000 0.000 0.334 228 F C -0.785 175.042 175.800 0.046 0.000 1.134 228 F CA -1.695 56.329 58.000 0.039 0.000 1.227 228 F CB 0.498 39.580 39.000 0.136 0.000 1.194 228 F HN -0.079 nan 8.300 nan 0.000 0.571 229 P HA 0.077 nan 4.420 nan 0.000 0.276 229 P C 0.266 177.680 177.300 0.190 0.000 1.252 229 P CA -0.287 62.885 63.100 0.121 0.000 0.802 229 P CB 0.788 32.501 31.700 0.022 0.000 1.035 230 E N -0.314 119.956 120.200 0.117 0.000 2.150 230 E HA -0.146 4.205 4.350 0.000 0.000 0.193 230 E C 0.456 177.150 176.600 0.157 0.000 0.985 230 E CA 0.980 57.442 56.400 0.103 0.000 0.814 230 E CB 0.433 30.167 29.700 0.056 0.000 0.752 230 E HN 0.574 nan 8.360 nan 0.000 0.466 231 E N -0.355 119.930 120.200 0.140 0.000 2.331 231 E HA 0.389 4.739 4.350 0.000 0.000 0.275 231 E C -1.608 174.978 176.600 -0.024 0.000 0.895 231 E CA -0.544 55.930 56.400 0.123 0.000 0.753 231 E CB 1.359 31.097 29.700 0.063 0.000 1.216 231 E HN -0.062 nan 8.360 nan 0.000 0.434 232 L N 2.794 123.936 121.223 -0.135 0.000 2.385 232 L HA 0.373 4.713 4.340 0.000 0.000 0.273 232 L C -0.066 176.716 176.870 -0.146 0.000 0.990 232 L CA -0.917 53.694 54.840 -0.381 0.000 0.821 232 L CB 2.053 43.477 42.059 -1.058 0.000 1.279 232 L HN 0.615 nan 8.230 nan 0.000 0.412 233 Q N 2.058 121.813 119.800 -0.075 0.000 2.337 233 Q HA 0.419 4.759 4.340 0.000 0.000 0.270 233 Q C 0.333 176.446 176.000 0.188 0.000 1.002 233 Q CA 1.073 56.906 55.803 0.050 0.000 0.888 233 Q CB 1.094 29.858 28.738 0.043 0.000 1.222 233 Q HN 0.876 nan 8.270 nan 0.000 0.400 234 G N 3.320 112.214 108.800 0.157 0.000 2.728 234 G HA2 -0.224 3.736 3.960 0.000 0.000 0.294 234 G HA3 -0.224 3.736 3.960 0.000 0.000 0.294 234 G C -1.138 173.874 174.900 0.187 0.000 1.342 234 G CA -0.492 44.705 45.100 0.162 0.000 0.866 234 G HN 0.690 nan 8.290 nan 0.000 0.534 235 E N -0.013 120.215 120.200 0.046 0.000 2.001 235 E HA 0.407 4.757 4.350 0.000 0.000 0.279 235 E C -0.666 175.822 176.600 -0.188 0.000 1.045 235 E CA -0.123 56.251 56.400 -0.043 0.000 0.833 235 E CB 0.570 30.246 29.700 -0.041 0.000 1.077 235 E HN 0.375 nan 8.360 nan 0.000 0.397 236 W N 1.560 122.696 121.300 -0.274 0.000 2.647 236 W HA 0.348 5.008 4.660 0.000 0.000 0.353 236 W C 0.536 176.801 176.519 -0.423 0.000 1.080 236 W CA -0.377 56.812 57.345 -0.260 0.000 1.208 236 W CB 1.122 30.384 29.460 -0.331 0.000 1.396 236 W HN 0.413 nan 8.180 nan 0.000 0.573 237 H N 0.151 119.333 119.070 0.187 0.000 2.865 237 H HA 0.570 5.126 4.556 0.000 0.000 0.372 237 H C -1.196 174.156 175.328 0.040 0.000 1.173 237 H CA -0.934 55.163 56.048 0.082 0.000 1.147 237 H CB 2.014 31.755 29.762 -0.036 0.000 1.805 237 H HN 0.004 nan 8.280 nan 0.000 0.553 238 V N 2.188 122.102 119.914 -0.001 0.000 2.357 238 V HA 0.158 4.279 4.120 0.000 0.000 0.284 238 V C 0.161 175.918 176.094 -0.561 0.000 1.018 238 V CA -0.490 61.672 62.300 -0.231 0.000 0.841 238 V CB 0.687 32.347 31.823 -0.271 0.000 0.991 238 V HN 0.756 nan 8.190 nan 0.000 0.437 239 C N 5.682 124.718 119.300 -0.440 0.000 2.365 239 C HA 0.768 5.228 4.460 0.000 0.000 0.351 239 C C -0.232 174.469 174.990 -0.482 0.000 1.240 239 C CA -0.689 58.058 59.018 -0.452 0.000 2.062 239 C CB 0.215 27.850 27.740 -0.176 0.000 2.387 239 C HN 0.672 nan 8.230 nan 0.000 0.537 240 F N 0.987 120.941 119.950 0.007 0.000 2.546 240 F HA 0.598 5.125 4.527 0.000 0.000 0.320 240 F C 0.237 176.055 175.800 0.030 0.000 1.076 240 F CA -0.928 57.080 58.000 0.013 0.000 0.928 240 F CB 1.059 40.061 39.000 0.003 0.000 1.189 240 F HN 0.517 nan 8.300 nan 0.000 0.465 241 E N 0.384 120.735 120.200 0.251 0.000 2.275 241 E HA 0.553 4.903 4.350 0.000 0.000 0.270 241 E C -0.394 176.332 176.600 0.210 0.000 0.882 241 E CA -0.853 55.662 56.400 0.191 0.000 0.758 241 E CB 2.574 32.355 29.700 0.136 0.000 1.195 241 E HN 0.818 nan 8.360 nan 0.000 0.419 242 G N 1.222 110.172 108.800 0.251 0.000 2.522 242 G HA2 0.333 4.293 3.960 0.000 0.000 0.304 242 G HA3 0.333 4.293 3.960 0.000 0.000 0.304 242 G C 0.518 175.560 174.900 0.236 0.000 1.210 242 G CA -0.542 44.730 45.100 0.287 0.000 0.960 242 G HN 0.482 nan 8.290 nan 0.000 0.497 243 L N -0.074 121.301 121.223 0.254 0.000 2.492 243 L HA 0.123 4.463 4.340 0.000 0.000 0.223 243 L C 0.481 177.385 176.870 0.057 0.000 1.132 243 L CA 0.063 54.992 54.840 0.147 0.000 0.850 243 L CB -0.263 41.887 42.059 0.152 0.000 0.966 243 L HN 0.518 nan 8.230 nan 0.000 0.454 244 D N 0.767 121.206 120.400 0.065 0.000 2.264 244 D HA 0.469 5.109 4.640 0.000 0.000 0.250 244 D C -0.231 176.112 176.300 0.072 0.000 1.113 244 D CA -0.135 53.844 54.000 -0.034 0.000 0.871 244 D CB 1.941 42.665 40.800 -0.127 0.000 1.167 244 D HN -0.001 nan 8.370 nan 0.000 0.447 245 A N 2.561 125.406 122.820 0.042 0.000 2.566 245 A HA 0.511 4.831 4.320 0.000 0.000 0.292 245 A C -0.553 177.079 177.584 0.080 0.000 1.112 245 A CA -0.977 51.121 52.037 0.102 0.000 0.707 245 A CB 1.329 20.375 19.000 0.077 0.000 1.302 245 A HN 0.660 nan 8.150 nan 0.000 0.409 246 D N 0.920 121.396 120.400 0.127 0.000 2.383 246 D HA 0.281 4.921 4.640 0.000 0.000 0.248 246 D C -1.824 174.500 176.300 0.040 0.000 1.170 246 D CA -1.237 52.818 54.000 0.093 0.000 0.977 246 D CB 0.164 41.039 40.800 0.125 0.000 1.120 246 D HN 0.120 nan 8.370 nan 0.000 0.481 247 P HA -0.143 nan 4.420 nan 0.000 0.217 247 P C 1.583 178.887 177.300 0.007 0.000 1.151 247 P CA 1.641 64.744 63.100 0.004 0.000 0.849 247 P CB -0.188 31.514 31.700 0.004 0.000 0.787 248 G N -1.651 107.156 108.800 0.011 0.000 2.470 248 G HA2 0.063 4.023 3.960 0.000 0.000 0.220 248 G HA3 0.063 4.023 3.960 0.000 0.000 0.220 248 G C 1.233 176.140 174.900 0.013 0.000 1.121 248 G CA 0.936 46.039 45.100 0.006 0.000 0.766 248 G HN 0.505 nan 8.290 nan 0.000 0.553 249 G N -1.640 107.176 108.800 0.027 0.000 2.201 249 G HA2 0.161 4.121 3.960 0.000 0.000 0.212 249 G HA3 0.161 4.121 3.960 0.000 0.000 0.212 249 G C 0.439 175.373 174.900 0.055 0.000 0.994 249 G CA 0.240 45.360 45.100 0.033 0.000 0.644 249 G HN 1.341 nan 8.290 nan 0.000 0.508 250 A N 2.051 124.912 122.820 0.069 0.000 2.404 250 A HA 0.701 5.021 4.320 0.000 0.000 0.273 250 A C -1.385 176.313 177.584 0.190 0.000 1.144 250 A CA -0.748 51.350 52.037 0.101 0.000 0.806 250 A CB 0.553 19.591 19.000 0.062 0.000 1.080 250 A HN 0.242 nan 8.150 nan 0.000 0.509 251 P HA 0.159 nan 4.420 nan 0.000 0.278 251 P C -0.742 176.767 177.300 0.348 0.000 1.258 251 P CA -0.338 62.901 63.100 0.232 0.000 0.811 251 P CB 0.542 32.344 31.700 0.171 0.000 1.063 252 Y N 0.888 121.285 120.300 0.163 0.000 2.497 252 Y HA 0.413 4.963 4.550 0.000 0.000 0.334 252 Y C 0.544 176.538 175.900 0.157 0.000 1.199 252 Y CA 1.350 59.446 58.100 -0.008 0.000 1.425 252 Y CB 0.055 38.356 38.460 -0.264 0.000 1.291 252 Y HN 0.619 nan 8.280 nan 0.000 0.562 253 G N 2.290 110.796 108.800 -0.490 0.000 2.692 253 G HA2 0.802 4.762 3.960 0.000 0.000 0.291 253 G HA3 0.802 4.762 3.960 0.000 0.000 0.291 253 G C -2.092 172.648 174.900 -0.268 0.000 1.423 253 G CA -0.378 44.617 45.100 -0.175 0.000 0.843 253 G HN 1.090 nan 8.290 nan 0.000 0.486 254 A N -0.421 122.379 122.820 -0.033 0.000 2.540 254 A HA 0.969 5.290 4.320 0.000 0.000 0.291 254 A C -0.361 177.212 177.584 -0.019 0.000 1.083 254 A CA 0.207 52.252 52.037 0.013 0.000 0.650 254 A CB 1.222 20.290 19.000 0.112 0.000 1.292 254 A HN 2.327 nan 8.150 nan 0.000 0.435 255 S N -0.805 114.863 115.700 -0.053 0.000 2.618 255 S HA 0.877 5.348 4.470 0.000 0.000 0.277 255 S C -0.662 173.911 174.600 -0.046 0.000 1.138 255 S CA -0.135 57.943 58.200 -0.204 0.000 0.844 255 S CB 1.263 64.353 63.200 -0.183 0.000 1.127 255 S HN 2.004 nan 8.310 nan 0.000 0.474 256 I N -2.752 117.782 120.570 -0.060 0.000 2.828 256 I HA 0.706 4.876 4.170 0.000 0.000 0.302 256 I C -3.225 172.945 176.117 0.089 0.000 1.101 256 I CA -3.168 58.171 61.300 0.065 0.000 1.031 256 I CB 1.898 39.950 38.000 0.087 0.000 1.231 256 I HN 0.310 nan 8.210 nan 0.000 0.427 257 P HA -0.046 nan 4.420 nan 0.000 0.266 257 P C -0.161 177.133 177.300 -0.009 0.000 1.193 257 P CA 0.297 63.380 63.100 -0.028 0.000 0.770 257 P CB 0.261 31.949 31.700 -0.020 0.000 0.836 258 Y N 3.106 123.324 120.300 -0.137 0.000 2.207 258 Y HA -0.192 4.358 4.550 0.000 0.000 0.287 258 Y C 2.375 178.238 175.900 -0.062 0.000 1.156 258 Y CA 2.523 60.572 58.100 -0.085 0.000 1.182 258 Y CB -0.877 37.557 38.460 -0.043 0.000 0.979 258 Y HN 0.491 nan 8.280 nan 0.000 0.521 259 G N -0.059 108.780 108.800 0.065 0.000 2.469 259 G HA2 -0.351 3.609 3.960 0.000 0.000 0.219 259 G HA3 -0.351 3.609 3.960 0.000 0.000 0.219 259 G C 1.801 176.669 174.900 -0.053 0.000 1.150 259 G CA 1.035 46.142 45.100 0.011 0.000 0.763 259 G HN 0.413 nan 8.290 nan 0.000 0.561 260 R N 0.462 120.934 120.500 -0.046 0.000 2.075 260 R HA 0.111 4.451 4.340 0.000 0.000 0.232 260 R C 2.870 179.108 176.300 -0.103 0.000 1.126 260 R CA 1.330 57.401 56.100 -0.048 0.000 0.963 260 R CB -0.365 29.922 30.300 -0.022 0.000 0.858 260 R HN 0.276 nan 8.270 nan 0.000 0.435 261 A N 0.905 123.633 122.820 -0.154 0.000 1.933 261 A HA -0.105 4.215 4.320 0.000 0.000 0.218 261 A C 1.974 179.403 177.584 -0.258 0.000 1.175 261 A CA 0.963 52.880 52.037 -0.200 0.000 0.628 261 A CB -0.282 18.561 19.000 -0.261 0.000 0.814 261 A HN 0.291 nan 8.150 nan 0.000 0.444 262 L N -0.196 120.826 121.223 -0.335 0.000 2.446 262 L HA 0.083 4.423 4.340 0.000 0.000 0.219 262 L C 1.378 178.167 176.870 -0.134 0.000 1.116 262 L CA 0.805 55.486 54.840 -0.265 0.000 0.844 262 L CB -0.949 40.914 42.059 -0.325 0.000 0.970 262 L HN 0.436 nan 8.230 nan 0.000 0.457 263 S N 0.891 116.531 115.700 -0.100 0.000 2.510 263 S HA 0.127 4.597 4.470 0.000 0.000 0.279 263 S C -1.187 173.391 174.600 -0.038 0.000 1.284 263 S CA -1.066 57.109 58.200 -0.042 0.000 1.059 263 S CB 1.202 64.397 63.200 -0.009 0.000 0.901 263 S HN -0.017 nan 8.310 nan 0.000 0.491 264 P HA -0.037 nan 4.420 nan 0.000 0.215 264 P C 1.299 178.611 177.300 0.019 0.000 1.157 264 P CA 1.581 64.666 63.100 -0.024 0.000 0.868 264 P CB -0.085 31.612 31.700 -0.005 0.000 0.788 265 A N -0.156 122.703 122.820 0.064 0.000 2.067 265 A HA 0.050 4.370 4.320 0.000 0.000 0.219 265 A C 2.239 179.983 177.584 0.268 0.000 1.158 265 A CA 1.522 53.645 52.037 0.143 0.000 0.661 265 A CB -1.406 17.664 19.000 0.117 0.000 0.801 265 A HN 0.200 nan 8.150 nan 0.000 0.452 266 A N -0.927 121.991 122.820 0.164 0.000 2.119 266 A HA 0.079 4.399 4.320 0.000 0.000 0.217 266 A C 0.723 178.239 177.584 -0.115 0.000 1.153 266 A CA 1.053 53.162 52.037 0.119 0.000 0.692 266 A CB -0.292 18.717 19.000 0.015 0.000 0.799 266 A HN 0.442 nan 8.150 nan 0.000 0.458 267 D N -1.299 119.058 120.400 -0.071 0.000 2.837 267 D HA -0.126 4.514 4.640 0.000 0.000 0.230 267 D C -0.268 175.856 176.300 -0.293 0.000 1.152 267 D CA 0.979 54.885 54.000 -0.157 0.000 0.736 267 D CB -1.949 38.797 40.800 -0.091 0.000 1.084 267 D HN 0.236 nan 8.370 nan 0.000 0.429 268 V N 0.923 120.677 119.914 -0.267 0.000 2.521 268 V HA 0.183 4.303 4.120 0.000 0.000 0.286 268 V C 1.059 176.994 176.094 -0.265 0.000 1.034 268 V CA 0.150 62.280 62.300 -0.283 0.000 1.045 268 V CB 1.024 32.721 31.823 -0.210 0.000 0.974 268 V HN 0.087 nan 8.190 nan 0.000 0.480 269 L N 5.459 126.495 121.223 -0.311 0.000 2.323 269 L HA 0.586 4.926 4.340 0.000 0.000 0.265 269 L C -0.453 176.223 176.870 -0.324 0.000 1.012 269 L CA -0.782 53.888 54.840 -0.283 0.000 0.820 269 L CB 2.170 44.077 42.059 -0.253 0.000 1.334 269 L HN 0.416 nan 8.230 nan 0.000 0.427 270 L N 2.519 123.581 121.223 -0.269 0.000 2.417 270 L HA 0.451 4.791 4.340 0.000 0.000 0.258 270 L C 0.295 177.026 176.870 -0.231 0.000 1.088 270 L CA -0.369 54.324 54.840 -0.245 0.000 0.975 270 L CB 0.909 42.868 42.059 -0.167 0.000 1.341 270 L HN 0.634 nan 8.230 nan 0.000 0.431 271 A N 1.820 124.461 122.820 -0.297 0.000 2.401 271 A HA 0.351 4.671 4.320 0.000 0.000 0.259 271 A C 0.101 177.559 177.584 -0.210 0.000 1.103 271 A CA -0.094 51.757 52.037 -0.311 0.000 0.789 271 A CB 0.091 18.952 19.000 -0.232 0.000 1.035 271 A HN 0.704 nan 8.150 nan 0.000 0.491 272 Y N -0.503 119.759 120.300 -0.065 0.000 2.527 272 Y HA 0.510 5.060 4.550 0.000 0.000 0.247 272 Y C 0.210 176.100 175.900 -0.017 0.000 1.138 272 Y CA -0.511 57.541 58.100 -0.081 0.000 1.228 272 Y CB 0.001 38.403 38.460 -0.098 0.000 1.252 272 Y HN 0.573 nan 8.280 nan 0.000 0.531 273 E N 1.731 121.911 120.200 -0.032 0.000 2.288 273 E HA 0.556 4.906 4.350 0.000 0.000 0.268 273 E C -1.563 175.018 176.600 -0.032 0.000 0.885 273 E CA -1.064 55.342 56.400 0.011 0.000 0.767 273 E CB 2.701 32.402 29.700 0.002 0.000 1.220 273 E HN 0.214 nan 8.360 nan 0.000 0.427 274 M N 3.345 122.875 119.600 -0.116 0.000 2.183 274 M HA 0.311 4.791 4.480 0.000 0.000 0.277 274 M C -1.313 174.768 176.300 -0.366 0.000 0.995 274 M CA -0.295 54.787 55.300 -0.362 0.000 0.969 274 M CB 0.987 33.344 32.600 -0.404 0.000 1.659 274 M HN 0.480 nan 8.290 nan 0.000 0.462 275 N N 3.480 121.926 118.700 -0.423 0.000 2.727 275 N HA -0.181 4.559 4.740 0.000 0.000 0.249 275 N C 0.610 176.024 175.510 -0.161 0.000 1.048 275 N CA 1.814 54.693 53.050 -0.285 0.000 0.714 275 N CB -1.348 36.970 38.487 -0.282 0.000 0.959 275 N HN 1.232 nan 8.380 nan 0.000 0.544 276 G N -2.501 106.223 108.800 -0.126 0.000 2.179 276 G HA2 -0.314 3.646 3.960 0.000 0.000 0.260 276 G HA3 -0.314 3.646 3.960 0.000 0.000 0.260 276 G C 0.251 175.129 174.900 -0.037 0.000 0.977 276 G CA 1.323 46.385 45.100 -0.063 0.000 0.641 276 G HN 1.174 nan 8.290 nan 0.000 0.533 277 T N -2.181 112.344 114.554 -0.048 0.000 2.864 277 T HA 0.676 5.026 4.350 0.000 0.000 0.289 277 T C -0.002 174.708 174.700 0.017 0.000 1.082 277 T CA -0.066 62.026 62.100 -0.014 0.000 1.009 277 T CB 2.065 70.916 68.868 -0.028 0.000 1.234 277 T HN 0.870 nan 8.240 nan 0.000 0.526 278 E N 0.843 121.075 120.200 0.055 0.000 2.415 278 E HA 0.237 4.587 4.350 0.000 0.000 0.262 278 E C -0.394 176.280 176.600 0.123 0.000 1.038 278 E CA -0.809 55.668 56.400 0.128 0.000 0.921 278 E CB 0.436 30.243 29.700 0.179 0.000 0.950 278 E HN 0.575 nan 8.360 nan 0.000 0.438 279 L N 3.958 125.286 121.223 0.176 0.000 2.559 279 L HA 0.070 4.410 4.340 0.000 0.000 0.274 279 L C -1.906 175.084 176.870 0.200 0.000 1.205 279 L CA -1.425 53.504 54.840 0.148 0.000 0.907 279 L CB 0.224 42.357 42.059 0.123 0.000 1.153 279 L HN 0.556 nan 8.230 nan 0.000 0.490 280 P HA 0.056 nan 4.420 nan 0.000 0.270 280 P C 0.158 177.548 177.300 0.150 0.000 1.223 280 P CA -0.135 63.030 63.100 0.109 0.000 0.785 280 P CB 0.521 32.319 31.700 0.164 0.000 0.923 281 R N 0.925 121.495 120.500 0.116 0.000 2.091 281 R HA -0.151 4.189 4.340 0.000 0.000 0.238 281 R C 1.391 177.884 176.300 0.323 0.000 1.136 281 R CA 1.533 57.790 56.100 0.262 0.000 0.959 281 R CB -0.566 29.814 30.300 0.132 0.000 0.856 281 R HN 0.524 nan 8.270 nan 0.000 0.437 282 D N -0.323 120.116 120.400 0.065 0.000 2.218 282 D HA -0.106 4.534 4.640 0.000 0.000 0.204 282 D C 1.060 177.129 176.300 -0.384 0.000 0.976 282 D CA 1.108 55.065 54.000 -0.072 0.000 0.853 282 D CB 0.000 40.612 40.800 -0.312 0.000 0.939 282 D HN 0.373 nan 8.370 nan 0.000 0.481 283 H N -1.379 117.642 119.070 -0.082 0.000 2.507 283 H HA 0.386 4.942 4.556 0.000 0.000 0.294 283 H C 1.256 176.287 175.328 -0.494 0.000 1.064 283 H CA 0.635 56.500 56.048 -0.305 0.000 1.138 283 H CB 0.777 30.380 29.762 -0.265 0.000 1.515 283 H HN 0.150 nan 8.280 nan 0.000 0.547 284 G N 1.049 109.463 108.800 -0.643 0.000 2.159 284 G HA2 -0.247 3.713 3.960 0.000 0.000 0.170 284 G HA3 -0.247 3.713 3.960 0.000 0.000 0.170 284 G C 0.003 174.661 174.900 -0.404 0.000 1.007 284 G CA -0.483 43.965 45.100 -1.087 0.000 0.672 284 G HN 0.337 nan 8.290 nan 0.000 0.507 285 F N 2.647 122.544 119.950 -0.089 0.000 2.579 285 F HA 0.307 4.835 4.527 0.000 0.000 0.397 285 F C -0.296 175.551 175.800 0.078 0.000 1.027 285 F CA 0.048 58.058 58.000 0.018 0.000 1.217 285 F CB 1.008 40.047 39.000 0.066 0.000 0.986 285 F HN 0.037 nan 8.300 nan 0.000 0.551 286 P HA 0.086 nan 4.420 nan 0.000 0.244 286 P C -0.712 176.217 177.300 -0.618 0.000 1.191 286 P CA 0.551 62.819 63.100 -1.385 0.000 0.829 286 P CB 0.788 31.517 31.700 -1.619 0.000 1.008 287 V N 1.212 120.845 119.914 -0.468 0.000 2.841 287 V HA 0.492 4.612 4.120 0.000 0.000 0.310 287 V C -0.163 175.773 176.094 -0.264 0.000 1.090 287 V CA -0.827 61.309 62.300 -0.273 0.000 0.930 287 V CB 2.787 34.502 31.823 -0.179 0.000 1.014 287 V HN 0.118 nan 8.190 nan 0.000 0.425 288 R N 2.191 122.509 120.500 -0.302 0.000 2.808 288 R HA 0.871 5.211 4.340 0.000 0.000 0.272 288 R C -1.728 174.304 176.300 -0.446 0.000 0.995 288 R CA -0.793 55.067 56.100 -0.399 0.000 0.917 288 R CB 1.979 31.972 30.300 -0.511 0.000 1.217 288 R HN 0.328 nan 8.270 nan 0.000 0.471 289 V N 1.853 121.446 119.914 -0.534 0.000 2.649 289 V HA 0.266 4.387 4.120 0.000 0.000 0.292 289 V C -0.234 175.476 176.094 -0.639 0.000 1.055 289 V CA -0.488 61.421 62.300 -0.651 0.000 1.023 289 V CB 1.446 32.651 31.823 -1.030 0.000 0.992 289 V HN 0.514 nan 8.190 nan 0.000 0.480 290 V N 5.302 124.842 119.914 -0.623 0.000 2.376 290 V HA 0.352 4.472 4.120 0.000 0.000 0.287 290 V C -0.326 175.450 176.094 -0.532 0.000 1.015 290 V CA -0.470 61.402 62.300 -0.713 0.000 0.834 290 V CB 1.892 33.128 31.823 -0.979 0.000 1.001 290 V HN 0.620 nan 8.190 nan 0.000 0.428 291 V N 7.297 126.948 119.914 -0.438 0.000 2.275 291 V HA 0.339 4.459 4.120 0.000 0.000 0.272 291 V C -2.361 173.519 176.094 -0.356 0.000 1.028 291 V CA -2.030 60.066 62.300 -0.340 0.000 0.810 291 V CB 1.218 32.928 31.823 -0.189 0.000 1.043 291 V HN 0.690 nan 8.190 nan 0.000 0.453 292 P HA 0.242 nan 4.420 nan 0.000 0.266 292 P C 1.123 178.207 177.300 -0.359 0.000 1.195 292 P CA 1.147 63.861 63.100 -0.644 0.000 0.768 292 P CB 0.774 31.469 31.700 -1.675 0.000 0.838 293 G N 0.763 109.718 108.800 0.259 0.000 2.184 293 G HA2 -0.203 3.757 3.960 0.000 0.000 0.264 293 G HA3 -0.203 3.757 3.960 0.000 0.000 0.264 293 G C 0.047 175.161 174.900 0.356 0.000 0.975 293 G CA 0.042 45.444 45.100 0.503 0.000 0.642 293 G HN 0.546 nan 8.290 nan 0.000 0.536 294 V N 0.360 120.405 119.914 0.217 0.000 2.715 294 V HA 0.683 4.803 4.120 0.000 0.000 0.310 294 V C 1.065 177.222 176.094 0.105 0.000 1.054 294 V CA -0.387 61.995 62.300 0.138 0.000 0.928 294 V CB 1.929 33.774 31.823 0.036 0.000 1.007 294 V HN 0.605 nan 8.190 nan 0.000 0.437 295 V N 4.045 124.009 119.914 0.084 0.000 2.843 295 V HA 0.096 4.216 4.120 0.000 0.000 0.305 295 V C 1.674 177.729 176.094 -0.065 0.000 1.120 295 V CA 1.467 63.772 62.300 0.008 0.000 1.254 295 V CB 1.206 33.027 31.823 -0.003 0.000 0.901 295 V HN 1.114 nan 8.190 nan 0.000 0.503 296 G N 4.668 113.410 108.800 -0.097 0.000 2.475 296 G HA2 -0.251 3.709 3.960 0.000 0.000 0.220 296 G HA3 -0.251 3.709 3.960 0.000 0.000 0.220 296 G C 1.583 176.413 174.900 -0.117 0.000 1.125 296 G CA 1.072 46.115 45.100 -0.094 0.000 0.755 296 G HN 1.364 nan 8.290 nan 0.000 0.565 297 A N 0.738 123.454 122.820 -0.173 0.000 1.986 297 A HA -0.085 4.235 4.320 0.000 0.000 0.220 297 A C 2.377 179.982 177.584 0.035 0.000 1.171 297 A CA 1.539 53.483 52.037 -0.154 0.000 0.640 297 A CB -0.226 18.437 19.000 -0.562 0.000 0.811 297 A HN 0.269 nan 8.150 nan 0.000 0.451 298 R N 0.378 120.876 120.500 -0.002 0.000 2.299 298 R HA 0.111 4.451 4.340 0.000 0.000 0.197 298 R C 0.155 176.456 176.300 0.002 0.000 0.971 298 R CA 0.315 56.457 56.100 0.069 0.000 1.030 298 R CB -0.811 29.532 30.300 0.071 0.000 0.932 298 R HN 0.353 nan 8.270 nan 0.000 0.477 299 S N 1.693 117.317 115.700 -0.128 0.000 3.869 299 S HA 0.171 4.641 4.470 0.000 0.000 0.241 299 S C 0.125 174.551 174.600 -0.289 0.000 1.363 299 S CA -0.352 57.668 58.200 -0.300 0.000 0.894 299 S CB 0.386 63.344 63.200 -0.403 0.000 1.519 299 S HN -0.106 nan 8.310 nan 0.000 0.470 300 V N 4.322 124.102 119.914 -0.224 0.000 2.540 300 V HA 0.044 4.164 4.120 0.000 0.000 0.297 300 V C 0.747 176.676 176.094 -0.274 0.000 1.024 300 V CA 0.238 62.474 62.300 -0.106 0.000 1.105 300 V CB 0.029 31.897 31.823 0.076 0.000 0.938 300 V HN 0.583 nan 8.190 nan 0.000 0.482 301 K N 4.155 124.344 120.400 -0.351 0.000 2.109 301 K HA 0.316 4.636 4.320 0.000 0.000 0.243 301 K C -0.203 176.204 176.600 -0.321 0.000 1.006 301 K CA -0.638 55.251 56.287 -0.664 0.000 0.917 301 K CB 0.661 32.296 32.500 -1.443 0.000 1.081 301 K HN 0.684 nan 8.250 nan 0.000 0.468 302 W N 0.907 122.176 121.300 -0.052 0.000 6.351 302 W HA -0.205 4.455 4.660 0.000 0.000 0.403 302 W C -0.311 176.248 176.519 0.065 0.000 1.540 302 W CA -0.390 56.959 57.345 0.006 0.000 1.055 302 W CB -2.020 27.455 29.460 0.026 0.000 2.721 302 W HN 0.405 nan 8.180 nan 0.000 1.542 303 L N 1.330 122.638 121.223 0.141 0.000 2.513 303 L HA 0.092 4.432 4.340 0.000 0.000 0.272 303 L C 1.530 178.542 176.870 0.237 0.000 1.187 303 L CA 1.037 55.965 54.840 0.146 0.000 0.895 303 L CB 0.616 42.688 42.059 0.023 0.000 1.147 303 L HN 0.109 nan 8.230 nan 0.000 0.483 304 R N 3.528 124.129 120.500 0.168 0.000 2.194 304 R HA 0.335 4.675 4.340 0.000 0.000 0.194 304 R C 0.046 176.380 176.300 0.056 0.000 0.985 304 R CA 0.534 56.684 56.100 0.084 0.000 1.104 304 R CB 0.273 30.627 30.300 0.090 0.000 1.092 304 R HN 0.677 nan 8.270 nan 0.000 0.555 305 R N 0.118 120.682 120.500 0.107 0.000 2.651 305 R HA 0.499 4.840 4.340 0.000 0.000 0.278 305 R C -1.720 174.677 176.300 0.162 0.000 1.010 305 R CA -0.690 55.473 56.100 0.105 0.000 0.896 305 R CB 2.241 32.592 30.300 0.085 0.000 1.211 305 R HN -0.006 nan 8.270 nan 0.000 0.456 306 V N 2.694 122.698 119.914 0.151 0.000 2.444 306 V HA 0.755 4.875 4.120 0.000 0.000 0.294 306 V C -0.558 175.590 176.094 0.090 0.000 1.022 306 V CA -0.574 61.828 62.300 0.170 0.000 0.850 306 V CB 1.387 33.325 31.823 0.192 0.000 0.992 306 V HN 0.921 nan 8.190 nan 0.000 0.426 307 A N 4.338 127.170 122.820 0.019 0.000 2.498 307 A HA 0.938 5.258 4.320 0.000 0.000 0.298 307 A C -1.182 176.374 177.584 -0.046 0.000 1.075 307 A CA -0.626 51.428 52.037 0.027 0.000 0.714 307 A CB 2.134 21.163 19.000 0.048 0.000 1.299 307 A HN 0.586 nan 8.150 nan 0.000 0.407 308 V N 1.064 120.969 119.914 -0.016 0.000 2.483 308 V HA 0.780 4.900 4.120 0.000 0.000 0.295 308 V C 0.279 176.482 176.094 0.181 0.000 1.035 308 V CA -0.097 62.198 62.300 -0.008 0.000 0.896 308 V CB 1.516 33.158 31.823 -0.302 0.000 0.986 308 V HN 1.069 nan 8.190 nan 0.000 0.447 309 S N 5.012 120.847 115.700 0.226 0.000 2.556 309 S HA 0.603 5.073 4.470 0.000 0.000 0.271 309 S C -2.370 172.202 174.600 -0.046 0.000 1.135 309 S CA -1.203 57.076 58.200 0.132 0.000 0.858 309 S CB 2.507 65.721 63.200 0.023 0.000 1.114 309 S HN 0.457 nan 8.310 nan 0.000 0.468 310 P HA 0.154 nan 4.420 nan 0.000 0.225 310 P C -0.432 176.649 177.300 -0.366 0.000 1.156 310 P CA 0.849 63.345 63.100 -1.007 0.000 0.787 310 P CB -0.087 30.979 31.700 -1.057 0.000 0.802 311 D N -0.290 119.999 120.400 -0.185 0.000 2.374 311 D HA 0.204 4.844 4.640 0.000 0.000 0.239 311 D C 0.123 176.247 176.300 -0.294 0.000 0.991 311 D CA -0.706 53.192 54.000 -0.169 0.000 0.960 311 D CB 1.710 42.408 40.800 -0.169 0.000 1.284 311 D HN -0.036 nan 8.370 nan 0.000 0.512 312 E N 0.125 119.980 120.200 -0.574 0.000 2.425 312 E HA 0.051 4.401 4.350 0.000 0.000 0.258 312 E C 0.092 176.519 176.600 -0.288 0.000 1.151 312 E CA 0.064 56.078 56.400 -0.644 0.000 0.958 312 E CB 0.682 30.093 29.700 -0.483 0.000 0.968 312 E HN 0.251 nan 8.360 nan 0.000 0.451 313 S N 1.710 117.281 115.700 -0.215 0.000 2.552 313 S HA 0.032 4.502 4.470 0.000 0.000 0.289 313 S C -1.674 172.860 174.600 -0.109 0.000 1.304 313 S CA -1.155 56.967 58.200 -0.130 0.000 1.063 313 S CB 0.637 63.776 63.200 -0.102 0.000 0.848 313 S HN 0.325 nan 8.310 nan 0.000 0.499 314 P HA 0.111 nan 4.420 nan 0.000 0.255 314 P C 0.333 177.594 177.300 -0.065 0.000 1.248 314 P CA -0.105 62.951 63.100 -0.074 0.000 0.807 314 P CB -0.118 31.546 31.700 -0.060 0.000 1.150 315 S N 0.003 115.675 115.700 -0.048 0.000 2.563 315 S HA -0.098 4.372 4.470 0.000 0.000 0.284 315 S C 1.485 176.027 174.600 -0.097 0.000 1.331 315 S CA 0.127 58.311 58.200 -0.028 0.000 1.047 315 S CB 0.096 63.322 63.200 0.043 0.000 0.859 315 S HN 0.251 nan 8.310 nan 0.000 0.514 316 H N 4.005 122.867 119.070 -0.346 0.000 2.352 316 H HA -0.085 4.471 4.556 0.000 0.000 0.299 316 H C 1.481 176.531 175.328 -0.464 0.000 1.097 316 H CA 2.606 58.332 56.048 -0.537 0.000 1.311 316 H CB -0.123 29.070 29.762 -0.949 0.000 1.377 316 H HN 0.777 nan 8.280 nan 0.000 0.504 317 W N 0.195 121.409 121.300 -0.143 0.000 2.595 317 W HA -0.047 4.613 4.660 0.000 0.000 0.257 317 W C 2.036 178.546 176.519 -0.015 0.000 1.267 317 W CA 0.968 58.257 57.345 -0.093 0.000 1.300 317 W CB -0.338 29.121 29.460 -0.002 0.000 1.120 317 W HN 0.438 nan 8.180 nan 0.000 0.618 318 Q N 0.153 120.000 119.800 0.078 0.000 2.250 318 Q HA -0.087 4.253 4.340 0.000 0.000 0.200 318 Q C 2.155 178.152 176.000 -0.004 0.000 0.941 318 Q CA 1.263 57.099 55.803 0.054 0.000 0.872 318 Q CB -0.075 28.657 28.738 -0.009 0.000 0.965 318 Q HN 0.013 nan 8.270 nan 0.000 0.480 319 Q N -0.644 119.093 119.800 -0.104 0.000 2.324 319 Q HA 0.188 4.528 4.340 0.000 0.000 0.207 319 Q C 0.327 176.219 176.000 -0.181 0.000 0.928 319 Q CA 0.598 56.340 55.803 -0.102 0.000 0.890 319 Q CB 0.543 29.213 28.738 -0.113 0.000 1.001 319 Q HN 0.324 nan 8.270 nan 0.000 0.517 320 N N 1.066 119.463 118.700 -0.505 0.000 2.401 320 N HA 0.141 4.881 4.740 0.000 0.000 0.264 320 N C -0.995 173.743 175.510 -1.286 0.000 1.238 320 N CA 0.155 52.612 53.050 -0.988 0.000 0.889 320 N CB 1.188 39.210 38.487 -0.775 0.000 1.196 320 N HN 0.106 nan 8.380 nan 0.000 0.511 321 D N -1.015 119.002 120.400 -0.639 0.000 2.692 321 D HA 0.196 4.837 4.640 0.000 0.000 0.290 321 D C -0.866 175.529 176.300 0.158 0.000 1.281 321 D CA -0.302 53.525 54.000 -0.287 0.000 0.804 321 D CB 0.578 41.100 40.800 -0.463 0.000 1.331 321 D HN -0.058 nan 8.370 nan 0.000 0.432 322 Y N -0.618 119.872 120.300 0.318 0.000 3.027 322 Y HA -0.227 4.323 4.550 0.000 0.000 0.195 322 Y C 0.145 176.144 175.900 0.165 0.000 1.381 322 Y CA 0.755 58.996 58.100 0.235 0.000 1.015 322 Y CB -1.457 37.132 38.460 0.214 0.000 1.329 322 Y HN 0.132 nan 8.280 nan 0.000 0.462 323 K N -0.446 120.094 120.400 0.233 0.000 2.480 323 K HA 0.818 5.138 4.320 0.000 0.000 0.258 323 K C 0.430 176.826 176.600 -0.340 0.000 0.990 323 K CA -0.654 55.570 56.287 -0.104 0.000 0.857 323 K CB 2.484 34.815 32.500 -0.281 0.000 1.384 323 K HN 0.202 nan 8.250 nan 0.000 0.446 324 G N 1.016 109.503 108.800 -0.521 0.000 2.416 324 G HA2 0.708 4.668 3.960 0.000 0.000 0.329 324 G HA3 0.708 4.668 3.960 0.000 0.000 0.329 324 G C -1.247 173.202 174.900 -0.751 0.000 1.173 324 G CA -0.321 44.520 45.100 -0.432 0.000 0.929 324 G HN 0.297 nan 8.290 nan 0.000 0.475 325 F N -0.211 119.647 119.950 -0.153 0.000 2.640 325 F HA 0.598 5.125 4.527 0.000 0.000 0.324 325 F C 0.772 176.519 175.800 -0.089 0.000 1.077 325 F CA -0.854 57.056 58.000 -0.150 0.000 0.965 325 F CB 2.114 40.978 39.000 -0.226 0.000 1.351 325 F HN 0.459 nan 8.300 nan 0.000 0.487 326 S N 2.200 117.987 115.700 0.144 0.000 2.566 326 S HA 0.108 4.578 4.470 0.000 0.000 0.280 326 S C -1.419 173.258 174.600 0.128 0.000 1.343 326 S CA -1.001 57.257 58.200 0.096 0.000 1.036 326 S CB 0.631 63.876 63.200 0.075 0.000 0.866 326 S HN 0.425 nan 8.310 nan 0.000 0.526 327 P HA -0.006 nan 4.420 nan 0.000 0.226 327 P C 1.589 179.021 177.300 0.220 0.000 1.153 327 P CA 0.854 64.109 63.100 0.258 0.000 0.777 327 P CB -0.658 31.174 31.700 0.220 0.000 0.794 328 C N -2.125 117.243 119.300 0.114 0.000 2.500 328 C HA 0.162 4.622 4.460 0.000 0.000 0.273 328 C C 1.187 176.206 174.990 0.049 0.000 1.428 328 C CA -0.498 58.557 59.018 0.063 0.000 1.766 328 C CB -1.626 26.136 27.740 0.036 0.000 1.817 328 C HN -0.077 nan 8.230 nan 0.000 0.543 329 V N 2.951 122.893 119.914 0.046 0.000 2.555 329 V HA 0.333 4.453 4.120 0.000 0.000 0.286 329 V C -0.073 175.973 176.094 -0.079 0.000 1.044 329 V CA 0.809 63.078 62.300 -0.051 0.000 1.026 329 V CB 0.844 32.580 31.823 -0.144 0.000 0.981 329 V HN 0.474 nan 8.190 nan 0.000 0.480 330 D N 2.362 122.698 120.400 -0.107 0.000 2.497 330 D HA 0.316 4.956 4.640 0.000 0.000 0.243 330 D C 0.472 176.674 176.300 -0.164 0.000 1.039 330 D CA -0.674 53.260 54.000 -0.111 0.000 1.052 330 D CB 1.359 42.174 40.800 0.025 0.000 1.344 330 D HN 0.424 nan 8.370 nan 0.000 0.553 331 W N 0.182 121.492 121.300 0.016 0.000 2.331 331 W HA -0.162 4.498 4.660 0.000 0.000 0.291 331 W C 1.871 178.381 176.519 -0.016 0.000 1.214 331 W CA 1.103 58.444 57.345 -0.006 0.000 1.228 331 W CB -0.006 29.468 29.460 0.024 0.000 1.135 331 W HN 0.478 nan 8.180 nan 0.000 0.537 332 D N -0.896 119.622 120.400 0.197 0.000 2.363 332 D HA -0.088 4.552 4.640 0.000 0.000 0.220 332 D C 1.440 177.770 176.300 0.051 0.000 0.994 332 D CA 1.723 55.792 54.000 0.114 0.000 0.890 332 D CB -0.967 39.888 40.800 0.092 0.000 0.906 332 D HN 0.272 nan 8.370 nan 0.000 0.530 333 T N -3.252 111.304 114.554 0.004 0.000 2.975 333 T HA 0.174 4.524 4.350 0.000 0.000 0.261 333 T C 0.754 175.395 174.700 -0.097 0.000 0.984 333 T CA -0.193 61.888 62.100 -0.032 0.000 0.911 333 T CB -0.163 68.685 68.868 -0.034 0.000 1.127 333 T HN 0.004 nan 8.240 nan 0.000 0.514 334 V N 3.000 122.802 119.914 -0.187 0.000 2.617 334 V HA 0.305 4.425 4.120 0.000 0.000 0.304 334 V C -0.720 175.252 176.094 -0.204 0.000 1.040 334 V CA 0.553 62.611 62.300 -0.404 0.000 1.149 334 V CB 0.668 32.105 31.823 -0.644 0.000 0.914 334 V HN 0.555 nan 8.190 nan 0.000 0.487 335 D N 5.229 125.506 120.400 -0.206 0.000 2.476 335 D HA 0.222 4.862 4.640 0.000 0.000 0.251 335 D C 0.030 176.414 176.300 0.140 0.000 1.291 335 D CA -0.370 53.644 54.000 0.023 0.000 0.939 335 D CB 0.860 41.682 40.800 0.038 0.000 1.221 335 D HN 0.541 nan 8.370 nan 0.000 0.567 336 Y N 2.083 122.471 120.300 0.146 0.000 2.639 336 Y HA -0.019 4.531 4.550 0.000 0.000 0.297 336 Y C 1.999 177.988 175.900 0.148 0.000 1.151 336 Y CA 0.815 59.073 58.100 0.264 0.000 1.335 336 Y CB 0.182 38.737 38.460 0.157 0.000 0.994 336 Y HN 0.308 nan 8.280 nan 0.000 0.548 337 R N -1.081 119.543 120.500 0.206 0.000 2.236 337 R HA -0.058 4.282 4.340 0.000 0.000 0.208 337 R C 2.068 178.417 176.300 0.081 0.000 1.036 337 R CA 1.448 57.616 56.100 0.114 0.000 1.001 337 R CB -0.345 30.002 30.300 0.078 0.000 0.896 337 R HN 0.312 nan 8.270 nan 0.000 0.464 338 T N -3.099 111.517 114.554 0.103 0.000 3.107 338 T HA 0.390 4.740 4.350 0.000 0.000 0.249 338 T C 0.549 175.246 174.700 -0.005 0.000 1.096 338 T CA 0.106 62.244 62.100 0.063 0.000 1.012 338 T CB 0.418 69.342 68.868 0.094 0.000 0.977 338 T HN 0.109 nan 8.240 nan 0.000 0.527 339 A N 2.074 124.852 122.820 -0.069 0.000 2.454 339 A HA 0.812 5.132 4.320 0.000 0.000 0.302 339 A C -2.957 174.554 177.584 -0.122 0.000 1.079 339 A CA -2.113 49.804 52.037 -0.200 0.000 0.731 339 A CB 1.359 20.011 19.000 -0.580 0.000 1.299 339 A HN 0.199 nan 8.150 nan 0.000 0.413 340 P HA 0.444 nan 4.420 nan 0.000 0.282 340 P C -0.089 177.194 177.300 -0.028 0.000 1.249 340 P CA -0.016 63.059 63.100 -0.041 0.000 0.806 340 P CB 1.176 32.861 31.700 -0.024 0.000 0.984 341 A N 3.685 126.517 122.820 0.020 0.000 2.540 341 A HA 0.129 4.449 4.320 0.000 0.000 0.239 341 A C 0.655 178.274 177.584 0.059 0.000 1.061 341 A CA -0.180 51.895 52.037 0.063 0.000 0.758 341 A CB -0.788 18.251 19.000 0.064 0.000 0.991 341 A HN 0.513 nan 8.150 nan 0.000 0.502 342 I N 2.660 123.284 120.570 0.089 0.000 2.517 342 I HA 0.011 4.181 4.170 0.000 0.000 0.285 342 I C 1.083 177.244 176.117 0.074 0.000 1.106 342 I CA 0.044 61.390 61.300 0.077 0.000 1.402 342 I CB 0.526 38.587 38.000 0.102 0.000 1.399 342 I HN 0.769 nan 8.210 nan 0.000 0.535 343 Q N 4.654 124.494 119.800 0.067 0.000 2.418 343 Q HA 0.265 4.605 4.340 0.000 0.000 0.176 343 Q C 0.045 176.096 176.000 0.087 0.000 0.747 343 Q CA 0.076 55.921 55.803 0.070 0.000 0.776 343 Q CB -0.003 28.776 28.738 0.068 0.000 1.118 343 Q HN 0.576 nan 8.270 nan 0.000 0.570 344 E N 1.339 121.590 120.200 0.084 0.000 2.383 344 E HA 0.243 4.593 4.350 0.000 0.000 0.264 344 E C -0.438 176.228 176.600 0.109 0.000 1.050 344 E CA 0.016 56.477 56.400 0.101 0.000 0.896 344 E CB 0.715 30.457 29.700 0.069 0.000 0.982 344 E HN 0.129 nan 8.360 nan 0.000 0.424 345 L N 3.809 125.129 121.223 0.161 0.000 2.334 345 L HA 0.476 4.816 4.340 0.000 0.000 0.270 345 L C -1.999 174.934 176.870 0.105 0.000 1.018 345 L CA -2.110 52.841 54.840 0.185 0.000 0.811 345 L CB 1.326 43.614 42.059 0.383 0.000 1.271 345 L HN 0.421 nan 8.230 nan 0.000 0.443 346 P HA 0.074 nan 4.420 nan 0.000 0.278 346 P C -0.542 176.808 177.300 0.083 0.000 1.266 346 P CA -0.336 62.802 63.100 0.064 0.000 0.807 346 P CB 1.248 32.989 31.700 0.070 0.000 1.094 347 V N 0.726 120.667 119.914 0.046 0.000 2.763 347 V HA 0.089 4.209 4.120 0.000 0.000 0.306 347 V C 0.012 176.205 176.094 0.165 0.000 1.059 347 V CA 0.966 63.305 62.300 0.065 0.000 1.138 347 V CB 0.165 32.002 31.823 0.022 0.000 0.940 347 V HN 0.736 nan 8.190 nan 0.000 0.489 348 Q N 4.625 124.573 119.800 0.247 0.000 2.462 348 Q HA 0.774 5.114 4.340 0.000 0.000 0.285 348 Q C -1.157 175.038 176.000 0.324 0.000 1.035 348 Q CA -0.001 55.984 55.803 0.302 0.000 0.799 348 Q CB 2.508 31.488 28.738 0.403 0.000 1.452 348 Q HN 1.238 nan 8.270 nan 0.000 0.404 349 S N 0.225 116.075 115.700 0.250 0.000 2.578 349 S HA 0.980 5.450 4.470 0.000 0.000 0.272 349 S C -1.613 172.950 174.600 -0.062 0.000 1.145 349 S CA -0.337 57.951 58.200 0.146 0.000 0.835 349 S CB 0.916 64.216 63.200 0.166 0.000 1.104 349 S HN 1.350 nan 8.310 nan 0.000 0.458 350 A N 0.822 123.412 122.820 -0.384 0.000 2.594 350 A HA 0.777 5.097 4.320 0.000 0.000 0.295 350 A C -1.158 176.436 177.584 0.016 0.000 1.071 350 A CA -0.771 51.108 52.037 -0.262 0.000 0.685 350 A CB 1.460 20.031 19.000 -0.714 0.000 1.285 350 A HN 1.446 nan 8.150 nan 0.000 0.405 351 V N 1.888 122.083 119.914 0.468 0.000 2.432 351 V HA 0.385 4.505 4.120 0.000 0.000 0.271 351 V C 1.400 177.564 176.094 0.117 0.000 1.046 351 V CA 0.714 63.186 62.300 0.287 0.000 0.945 351 V CB 0.730 32.725 31.823 0.286 0.000 0.992 351 V HN 1.183 nan 8.190 nan 0.000 0.471 352 T N 0.692 115.199 114.554 -0.079 0.000 2.990 352 T HA 0.176 4.526 4.350 0.000 0.000 0.250 352 T C 0.402 175.091 174.700 -0.019 0.000 1.041 352 T CA 0.068 62.146 62.100 -0.037 0.000 1.010 352 T CB 0.266 69.080 68.868 -0.090 0.000 1.003 352 T HN 0.576 nan 8.240 nan 0.000 0.499 353 Q N 1.654 121.423 119.800 -0.053 0.000 2.271 353 Q HA 0.441 4.781 4.340 0.000 0.000 0.268 353 Q C -3.102 172.898 176.000 -0.000 0.000 1.021 353 Q CA -2.385 53.405 55.803 -0.022 0.000 0.802 353 Q CB 2.830 31.542 28.738 -0.043 0.000 1.282 353 Q HN 0.071 nan 8.270 nan 0.000 0.431 354 P HA 0.188 nan 4.420 nan 0.000 0.275 354 P C -0.863 176.457 177.300 0.034 0.000 1.266 354 P CA -0.329 62.784 63.100 0.021 0.000 0.793 354 P CB 0.889 32.599 31.700 0.017 0.000 1.074 355 R N -0.118 120.405 120.500 0.038 0.000 2.598 355 R HA 0.459 4.799 4.340 0.000 0.000 0.279 355 R C -2.174 174.151 176.300 0.042 0.000 0.984 355 R CA -2.132 54.000 56.100 0.053 0.000 0.999 355 R CB -0.220 30.114 30.300 0.056 0.000 1.114 355 R HN 0.367 nan 8.270 nan 0.000 0.493 356 P HA -0.033 nan 4.420 nan 0.000 0.264 356 P C 0.630 177.950 177.300 0.032 0.000 1.183 356 P CA 0.989 64.111 63.100 0.037 0.000 0.763 356 P CB 0.380 32.113 31.700 0.054 0.000 0.807 357 G N 1.568 110.381 108.800 0.022 0.000 2.176 357 G HA2 -0.202 3.758 3.960 0.000 0.000 0.253 357 G HA3 -0.202 3.758 3.960 0.000 0.000 0.253 357 G C 0.493 175.402 174.900 0.015 0.000 0.979 357 G CA 0.030 45.141 45.100 0.019 0.000 0.641 357 G HN 0.860 nan 8.290 nan 0.000 0.530 358 A N -0.013 122.816 122.820 0.015 0.000 2.425 358 A HA 0.754 5.074 4.320 0.000 0.000 0.242 358 A C 0.746 178.334 177.584 0.007 0.000 1.077 358 A CA 1.113 53.157 52.037 0.012 0.000 0.781 358 A CB 0.613 19.622 19.000 0.014 0.000 1.020 358 A HN 2.101 nan 8.150 nan 0.000 0.494 359 A N 1.645 124.467 122.820 0.004 0.000 2.293 359 A HA 0.561 4.881 4.320 0.000 0.000 0.312 359 A C -0.069 177.514 177.584 -0.000 0.000 1.309 359 A CA -0.177 51.860 52.037 0.001 0.000 0.839 359 A CB 0.143 19.143 19.000 0.000 0.000 1.155 359 A HN 2.038 nan 8.150 nan 0.000 0.501 360 V N 0.637 120.551 119.914 -0.001 0.000 2.612 360 V HA 0.737 4.857 4.120 0.000 0.000 0.301 360 V C -2.654 173.437 176.094 -0.005 0.000 1.046 360 V CA -2.638 59.660 62.300 -0.002 0.000 0.946 360 V CB 1.195 33.017 31.823 -0.001 0.000 1.003 360 V HN 0.626 nan 8.190 nan 0.000 0.459 361 P HA 0.250 nan 4.420 nan 0.000 0.266 361 P C -2.597 174.698 177.300 -0.007 0.000 1.195 361 P CA -0.884 62.211 63.100 -0.008 0.000 0.768 361 P CB -0.294 31.401 31.700 -0.010 0.000 0.838 362 P HA 0.211 nan 4.420 nan 0.000 0.274 362 P C 0.731 178.027 177.300 -0.007 0.000 1.256 362 P CA 0.542 63.637 63.100 -0.008 0.000 0.795 362 P CB 0.429 32.124 31.700 -0.008 0.000 1.038 363 G N 0.521 109.316 108.800 -0.007 0.000 2.955 363 G HA2 -0.119 3.841 3.960 0.000 0.000 0.230 363 G HA3 -0.119 3.841 3.960 0.000 0.000 0.230 363 G C -0.887 174.010 174.900 -0.005 0.000 1.587 363 G CA -0.381 44.715 45.100 -0.007 0.000 1.216 363 G HN 0.581 nan 8.290 nan 0.000 0.527 364 E N 0.216 120.414 120.200 -0.004 0.000 2.199 364 E HA 0.619 4.969 4.350 0.000 0.000 0.269 364 E C -1.347 175.254 176.600 0.002 0.000 0.899 364 E CA -0.721 55.678 56.400 -0.000 0.000 0.772 364 E CB 2.600 32.300 29.700 0.001 0.000 1.155 364 E HN 0.518 nan 8.360 nan 0.000 0.408 365 L N 1.540 122.767 121.223 0.007 0.000 2.385 365 L HA 0.396 4.736 4.340 0.000 0.000 0.273 365 L C -0.828 176.055 176.870 0.021 0.000 0.990 365 L CA -0.162 54.684 54.840 0.011 0.000 0.821 365 L CB 2.160 44.225 42.059 0.010 0.000 1.279 365 L HN 0.299 nan 8.230 nan 0.000 0.412 366 T N 4.599 119.166 114.554 0.021 0.000 2.753 366 T HA 0.501 4.851 4.350 0.000 0.000 0.297 366 T C -0.399 174.321 174.700 0.034 0.000 0.981 366 T CA -0.272 61.846 62.100 0.030 0.000 0.956 366 T CB 0.801 69.679 68.868 0.017 0.000 0.936 366 T HN 0.373 nan 8.240 nan 0.000 0.463 367 V N 5.420 125.379 119.914 0.076 0.000 2.465 367 V HA 0.463 4.583 4.120 0.000 0.000 0.279 367 V C 0.223 176.337 176.094 0.033 0.000 1.045 367 V CA -0.523 61.840 62.300 0.105 0.000 0.938 367 V CB 1.085 33.042 31.823 0.222 0.000 0.986 367 V HN 0.743 nan 8.190 nan 0.000 0.467 368 K N 2.567 122.827 120.400 -0.233 0.000 2.443 368 K HA 0.895 5.215 4.320 0.000 0.000 0.251 368 K C -0.018 175.855 176.600 -1.212 0.000 0.972 368 K CA -0.636 55.248 56.287 -0.671 0.000 0.833 368 K CB 2.706 34.978 32.500 -0.380 0.000 1.317 368 K HN 0.890 nan 8.250 nan 0.000 0.441 369 G N 0.330 108.003 108.800 -1.878 0.000 2.494 369 G HA2 0.407 4.367 3.960 0.000 0.000 0.308 369 G HA3 0.407 4.367 3.960 0.000 0.000 0.308 369 G C -2.197 172.017 174.900 -1.143 0.000 1.263 369 G CA -0.642 43.623 45.100 -1.392 0.000 0.840 369 G HN 0.538 nan 8.290 nan 0.000 0.479 370 Y N -1.537 118.507 120.300 -0.428 0.000 2.602 370 Y HA 0.920 5.471 4.550 0.000 0.000 0.342 370 Y C -0.188 175.918 175.900 0.343 0.000 1.029 370 Y CA -1.643 56.339 58.100 -0.197 0.000 1.080 370 Y CB 1.668 39.896 38.460 -0.387 0.000 1.284 370 Y HN 1.366 nan 8.280 nan 0.000 0.485 371 A N 1.359 124.575 122.820 0.660 0.000 2.572 371 A HA 0.769 5.089 4.320 0.000 0.000 0.295 371 A C -2.279 175.702 177.584 0.661 0.000 1.072 371 A CA -0.559 51.826 52.037 0.580 0.000 0.691 371 A CB 1.323 20.556 19.000 0.388 0.000 1.291 371 A HN 1.137 nan 8.150 nan 0.000 0.404 372 W N 0.616 122.114 121.300 0.330 0.000 3.298 372 W HA 0.605 5.265 4.660 0.000 0.000 0.302 372 W C -1.158 175.469 176.519 0.179 0.000 1.255 372 W CA 0.240 57.748 57.345 0.271 0.000 1.196 372 W CB 1.382 31.020 29.460 0.296 0.000 1.364 372 W HN 1.092 nan 8.180 nan 0.000 0.566 373 S N 1.913 117.138 115.700 -0.791 0.000 2.569 373 S HA 0.778 5.249 4.470 0.000 0.000 0.280 373 S C -0.140 173.547 174.600 -1.522 0.000 1.111 373 S CA -0.039 57.685 58.200 -0.793 0.000 0.887 373 S CB 1.102 64.081 63.200 -0.367 0.000 1.095 373 S HN 1.025 nan 8.310 nan 0.000 0.476 374 G N 0.445 108.668 108.800 -0.961 0.000 2.563 374 G HA2 0.473 4.433 3.960 0.000 0.000 0.283 374 G HA3 0.473 4.433 3.960 0.000 0.000 0.283 374 G C 1.009 175.759 174.900 -0.251 0.000 1.309 374 G CA 0.032 44.766 45.100 -0.610 0.000 1.022 374 G HN 1.867 nan 8.290 nan 0.000 0.501 375 G N -1.950 106.862 108.800 0.020 0.000 2.233 375 G HA2 0.192 4.152 3.960 0.000 0.000 0.270 375 G HA3 0.192 4.152 3.960 0.000 0.000 0.270 375 G C 1.477 176.425 174.900 0.079 0.000 1.011 375 G CA 1.227 46.398 45.100 0.118 0.000 0.762 375 G HN 2.530 nan 8.290 nan 0.000 0.511 376 G N -1.583 107.230 108.800 0.023 0.000 2.162 376 G HA2 -0.308 3.652 3.960 0.000 0.000 0.260 376 G HA3 -0.308 3.652 3.960 0.000 0.000 0.260 376 G C 0.440 175.124 174.900 -0.359 0.000 0.976 376 G CA 0.841 45.667 45.100 -0.458 0.000 0.655 376 G HN 1.054 nan 8.290 nan 0.000 0.533 377 R N 1.347 121.685 120.500 -0.270 0.000 2.248 377 R HA 0.396 4.736 4.340 0.000 0.000 0.328 377 R C 0.969 177.122 176.300 -0.245 0.000 1.067 377 R CA 0.127 56.087 56.100 -0.233 0.000 0.924 377 R CB 0.488 30.672 30.300 -0.194 0.000 1.013 377 R HN 0.787 nan 8.270 nan 0.000 0.454 378 E N 1.473 121.554 120.200 -0.198 0.000 2.392 378 E HA 0.137 4.487 4.350 0.000 0.000 0.256 378 E C -0.655 175.864 176.600 -0.135 0.000 1.145 378 E CA -0.769 55.542 56.400 -0.148 0.000 0.929 378 E CB 0.721 30.351 29.700 -0.117 0.000 0.998 378 E HN 0.111 nan 8.360 nan 0.000 0.442 379 V N 2.798 122.670 119.914 -0.070 0.000 2.408 379 V HA 0.008 4.128 4.120 0.000 0.000 0.267 379 V C 1.041 177.083 176.094 -0.086 0.000 1.047 379 V CA -0.052 62.214 62.300 -0.057 0.000 0.937 379 V CB 0.877 32.724 31.823 0.040 0.000 0.999 379 V HN 0.724 nan 8.190 nan 0.000 0.472 380 V N 2.727 122.550 119.914 -0.152 0.000 3.354 380 V HA 0.420 4.540 4.120 0.000 0.000 0.258 380 V C 0.727 176.741 176.094 -0.133 0.000 1.159 380 V CA 0.509 62.710 62.300 -0.166 0.000 1.125 380 V CB -0.290 31.362 31.823 -0.284 0.000 0.774 380 V HN 0.798 nan 8.190 nan 0.000 0.464 381 R N -0.897 119.522 120.500 -0.135 0.000 2.664 381 R HA 0.641 4.981 4.340 0.000 0.000 0.260 381 R C -2.396 173.799 176.300 -0.176 0.000 1.062 381 R CA -0.430 55.590 56.100 -0.133 0.000 0.902 381 R CB 2.548 32.769 30.300 -0.132 0.000 1.258 381 R HN 0.056 nan 8.270 nan 0.000 0.465 382 V N 3.048 122.826 119.914 -0.227 0.000 2.531 382 V HA 0.371 4.491 4.120 0.000 0.000 0.301 382 V C -1.030 174.836 176.094 -0.380 0.000 1.034 382 V CA -0.821 61.251 62.300 -0.380 0.000 0.865 382 V CB 1.943 33.383 31.823 -0.638 0.000 0.995 382 V HN 0.677 nan 8.190 nan 0.000 0.424 383 D N 3.173 123.344 120.400 -0.380 0.000 2.168 383 D HA 0.614 5.255 4.640 0.000 0.000 0.246 383 D C -0.667 175.576 176.300 -0.095 0.000 1.050 383 D CA -0.066 53.783 54.000 -0.252 0.000 0.857 383 D CB 2.433 42.935 40.800 -0.498 0.000 1.169 383 D HN 0.255 nan 8.370 nan 0.000 0.453 384 V N 1.393 121.341 119.914 0.056 0.000 2.531 384 V HA 0.424 4.545 4.120 0.000 0.000 0.301 384 V C -0.051 176.035 176.094 -0.013 0.000 1.034 384 V CA -0.647 61.646 62.300 -0.011 0.000 0.865 384 V CB 1.959 33.698 31.823 -0.139 0.000 0.995 384 V HN 0.490 nan 8.190 nan 0.000 0.424 385 S N 3.797 119.350 115.700 -0.245 0.000 2.532 385 S HA 0.703 5.173 4.470 0.000 0.000 0.301 385 S C 0.231 174.643 174.600 -0.313 0.000 1.083 385 S CA -0.616 57.256 58.200 -0.547 0.000 1.025 385 S CB 1.482 63.921 63.200 -1.269 0.000 1.056 385 S HN 0.639 nan 8.310 nan 0.000 0.494 386 L N 2.324 123.391 121.223 -0.260 0.000 2.766 386 L HA 0.331 4.671 4.340 0.000 0.000 0.242 386 L C -0.022 176.753 176.870 -0.159 0.000 1.136 386 L CA 0.056 54.800 54.840 -0.159 0.000 0.933 386 L CB 0.166 42.162 42.059 -0.104 0.000 1.241 386 L HN 0.668 nan 8.230 nan 0.000 0.522 387 D N -0.853 119.414 120.400 -0.221 0.000 2.891 387 D HA 0.231 4.871 4.640 0.000 0.000 0.312 387 D C 1.080 177.273 176.300 -0.179 0.000 1.354 387 D CA -0.174 53.721 54.000 -0.174 0.000 0.838 387 D CB 0.367 41.070 40.800 -0.162 0.000 1.117 387 D HN 0.083 nan 8.370 nan 0.000 0.473 388 G N -0.203 108.497 108.800 -0.167 0.000 2.179 388 G HA2 -0.041 3.919 3.960 0.000 0.000 0.257 388 G HA3 -0.041 3.919 3.960 0.000 0.000 0.257 388 G C 1.124 175.958 174.900 -0.111 0.000 1.010 388 G CA 0.329 45.372 45.100 -0.095 0.000 0.736 388 G HN 1.541 nan 8.290 nan 0.000 0.513 389 G N -1.608 106.937 108.800 -0.424 0.000 2.131 389 G HA2 -0.241 3.719 3.960 0.000 0.000 0.223 389 G HA3 -0.241 3.719 3.960 0.000 0.000 0.223 389 G C 1.060 175.719 174.900 -0.403 0.000 0.990 389 G CA 1.102 45.833 45.100 -0.616 0.000 0.671 389 G HN 0.901 nan 8.290 nan 0.000 0.521 390 R N -0.042 120.231 120.500 -0.377 0.000 2.066 390 R HA 0.174 4.514 4.340 0.000 0.000 0.224 390 R C 1.358 177.503 176.300 -0.258 0.000 1.122 390 R CA 1.567 57.562 56.100 -0.175 0.000 0.974 390 R CB -0.142 30.089 30.300 -0.115 0.000 0.871 390 R HN 0.655 nan 8.270 nan 0.000 0.435 391 T N -1.891 112.379 114.554 -0.474 0.000 2.893 391 T HA 0.522 4.872 4.350 0.000 0.000 0.291 391 T C -1.179 173.146 174.700 -0.626 0.000 1.028 391 T CA -0.889 60.996 62.100 -0.359 0.000 0.995 391 T CB 1.692 70.462 68.868 -0.164 0.000 1.051 391 T HN 0.153 nan 8.240 nan 0.000 0.470 392 W N 0.548 121.790 121.300 -0.097 0.000 2.882 392 W HA 0.735 5.395 4.660 0.000 0.000 0.345 392 W C -0.234 176.223 176.519 -0.104 0.000 1.125 392 W CA -0.956 56.312 57.345 -0.128 0.000 1.167 392 W CB 2.038 31.398 29.460 -0.167 0.000 1.431 392 W HN 0.621 nan 8.180 nan 0.000 0.543 393 K N 0.712 121.189 120.400 0.129 0.000 2.375 393 K HA 0.655 4.975 4.320 0.000 0.000 0.249 393 K C -1.240 175.370 176.600 0.017 0.000 0.942 393 K CA -1.053 55.264 56.287 0.049 0.000 0.806 393 K CB 2.574 35.081 32.500 0.012 0.000 1.227 393 K HN 0.174 nan 8.250 nan 0.000 0.430 394 V N 2.359 122.268 119.914 -0.009 0.000 2.461 394 V HA 0.329 4.449 4.120 0.000 0.000 0.275 394 V C 0.218 176.285 176.094 -0.044 0.000 1.047 394 V CA -0.566 61.704 62.300 -0.049 0.000 0.955 394 V CB 1.063 32.862 31.823 -0.041 0.000 0.988 394 V HN 0.913 nan 8.190 nan 0.000 0.471 395 A N 5.363 128.130 122.820 -0.088 0.000 2.287 395 A HA 0.585 4.905 4.320 0.000 0.000 0.273 395 A C 0.377 177.984 177.584 0.038 0.000 1.091 395 A CA -0.537 51.490 52.037 -0.017 0.000 0.817 395 A CB 0.309 19.266 19.000 -0.071 0.000 1.069 395 A HN 0.867 nan 8.150 nan 0.000 0.492 396 R N 1.266 121.828 120.500 0.104 0.000 2.298 396 R HA 0.429 4.769 4.340 0.000 0.000 0.310 396 R C -1.207 175.171 176.300 0.131 0.000 1.068 396 R CA -0.222 55.931 56.100 0.089 0.000 0.957 396 R CB 0.034 30.380 30.300 0.077 0.000 1.003 396 R HN 0.655 nan 8.270 nan 0.000 0.454 397 L N 5.951 127.227 121.223 0.089 0.000 2.276 397 L HA 0.322 4.662 4.340 0.000 0.000 0.286 397 L C 0.138 177.047 176.870 0.065 0.000 1.061 397 L CA -0.676 54.228 54.840 0.106 0.000 0.807 397 L CB 1.383 43.486 42.059 0.072 0.000 1.177 397 L HN 0.538 nan 8.230 nan 0.000 0.429 398 M N 1.944 121.581 119.600 0.063 0.000 2.494 398 M HA 0.674 5.154 4.480 0.000 0.000 0.300 398 M C 0.614 176.896 176.300 -0.031 0.000 1.189 398 M CA -0.385 54.920 55.300 0.008 0.000 0.982 398 M CB 1.103 33.700 32.600 -0.005 0.000 1.534 398 M HN 0.730 nan 8.290 nan 0.000 0.488 399 G N 1.207 109.950 108.800 -0.094 0.000 2.712 399 G HA2 -0.094 3.866 3.960 0.000 0.000 0.683 399 G HA3 -0.094 3.866 3.960 0.000 0.000 0.683 399 G C -1.413 173.401 174.900 -0.143 0.000 1.320 399 G CA -0.916 44.062 45.100 -0.203 0.000 0.847 399 G HN 0.674 nan 8.290 nan 0.000 0.553 400 D N 0.818 121.107 120.400 -0.185 0.000 2.225 400 D HA 0.462 5.102 4.640 0.000 0.000 0.249 400 D C 0.950 177.212 176.300 -0.063 0.000 1.052 400 D CA -0.043 53.894 54.000 -0.105 0.000 0.909 400 D CB 1.517 42.258 40.800 -0.099 0.000 1.186 400 D HN 0.782 nan 8.370 nan 0.000 0.431 401 K N -0.372 120.003 120.400 -0.040 0.000 2.180 401 K HA 0.606 4.926 4.320 0.000 0.000 0.251 401 K C -0.503 176.080 176.600 -0.028 0.000 1.014 401 K CA -0.720 55.549 56.287 -0.031 0.000 0.913 401 K CB 0.835 33.314 32.500 -0.034 0.000 1.008 401 K HN 0.323 nan 8.250 nan 0.000 0.490 402 A N 1.328 124.125 122.820 -0.039 0.000 2.346 402 A HA 0.627 4.947 4.320 0.000 0.000 0.313 402 A C -2.526 175.010 177.584 -0.080 0.000 1.140 402 A CA -1.916 50.090 52.037 -0.052 0.000 0.826 402 A CB 0.411 19.364 19.000 -0.079 0.000 1.332 402 A HN 0.709 nan 8.150 nan 0.000 0.457 403 P HA 0.340 nan 4.420 nan 0.000 0.269 403 P C -2.598 174.623 177.300 -0.132 0.000 1.215 403 P CA -0.934 62.115 63.100 -0.084 0.000 0.780 403 P CB -0.569 31.096 31.700 -0.058 0.000 0.898 404 P HA 0.001 nan 4.420 nan 0.000 0.261 404 P C 1.035 178.238 177.300 -0.162 0.000 1.173 404 P CA 1.417 64.446 63.100 -0.118 0.000 0.760 404 P CB -0.131 31.525 31.700 -0.074 0.000 0.783 405 G N 3.116 111.791 108.800 -0.208 0.000 2.168 405 G HA2 -0.333 3.627 3.960 0.000 0.000 0.263 405 G HA3 -0.333 3.627 3.960 0.000 0.000 0.263 405 G C 0.618 175.202 174.900 -0.527 0.000 0.977 405 G CA 0.045 44.988 45.100 -0.261 0.000 0.659 405 G HN 0.602 nan 8.290 nan 0.000 0.533 406 R N -0.369 119.730 120.500 -0.667 0.000 2.668 406 R HA 0.512 4.852 4.340 0.000 0.000 0.435 406 R C 0.848 176.433 176.300 -1.191 0.000 1.059 406 R CA 0.310 55.660 56.100 -1.251 0.000 1.073 406 R CB 0.858 30.801 30.300 -0.595 0.000 1.401 406 R HN 0.458 nan 8.270 nan 0.000 0.590 407 A N 0.514 122.876 122.820 -0.763 0.000 3.004 407 A HA 0.098 4.418 4.320 0.000 0.000 0.286 407 A C 0.168 177.655 177.584 -0.161 0.000 1.632 407 A CA -0.542 51.288 52.037 -0.344 0.000 1.339 407 A CB -0.637 18.243 19.000 -0.200 0.000 1.136 407 A HN 0.614 nan 8.150 nan 0.000 0.577 408 W N 1.974 123.371 121.300 0.161 0.000 2.770 408 W HA 0.290 4.950 4.660 0.000 0.000 0.256 408 W C 1.189 177.958 176.519 0.416 0.000 1.291 408 W CA 0.278 57.776 57.345 0.256 0.000 1.396 408 W CB 0.324 29.897 29.460 0.189 0.000 1.114 408 W HN 0.646 nan 8.180 nan 0.000 0.637 409 A N 0.749 123.895 122.820 0.543 0.000 2.312 409 A HA 0.495 4.815 4.320 0.000 0.000 0.328 409 A C -0.535 177.458 177.584 0.682 0.000 1.158 409 A CA -0.847 51.467 52.037 0.461 0.000 0.821 409 A CB 0.120 19.411 19.000 0.485 0.000 1.170 409 A HN 0.198 nan 8.150 nan 0.000 0.490 410 W N 0.732 122.300 121.300 0.447 0.000 2.034 410 W HA 0.542 5.202 4.660 0.000 0.000 0.357 410 W C 0.002 176.782 176.519 0.434 0.000 1.326 410 W CA -1.245 56.387 57.345 0.478 0.000 1.318 410 W CB -0.468 29.133 29.460 0.234 0.000 1.193 410 W HN 0.874 nan 8.180 nan 0.000 0.620 411 A N 2.985 126.151 122.820 0.578 0.000 2.258 411 A HA 0.636 4.956 4.320 0.000 0.000 0.316 411 A C -0.629 177.074 177.584 0.199 0.000 1.279 411 A CA -0.903 51.344 52.037 0.349 0.000 0.876 411 A CB 0.063 19.224 19.000 0.270 0.000 1.170 411 A HN 0.688 nan 8.150 nan 0.000 0.520 412 L N 3.689 124.932 121.223 0.035 0.000 2.371 412 L HA 0.478 4.818 4.340 0.000 0.000 0.272 412 L C 0.041 176.917 176.870 0.011 0.000 1.124 412 L CA -0.388 54.359 54.840 -0.154 0.000 0.816 412 L CB 0.640 42.553 42.059 -0.242 0.000 1.129 412 L HN 0.861 nan 8.230 nan 0.000 0.448 413 W N 2.506 123.776 121.300 -0.050 0.000 2.975 413 W HA 0.735 5.395 4.660 0.000 0.000 0.342 413 W C -1.132 175.370 176.519 -0.028 0.000 1.168 413 W CA -0.830 56.498 57.345 -0.028 0.000 1.141 413 W CB 1.499 30.949 29.460 -0.018 0.000 1.445 413 W HN 0.625 nan 8.180 nan 0.000 0.560 414 E N 0.926 121.351 120.200 0.375 0.000 2.407 414 E HA 0.718 5.068 4.350 0.000 0.000 0.279 414 E C -2.399 174.379 176.600 0.297 0.000 1.012 414 E CA -1.097 55.450 56.400 0.245 0.000 0.800 414 E CB 2.766 32.492 29.700 0.044 0.000 1.276 414 E HN 0.334 nan 8.360 nan 0.000 0.452 415 L N 0.677 122.049 121.223 0.249 0.000 2.543 415 L HA 0.445 4.785 4.340 0.000 0.000 0.265 415 L C -1.557 175.377 176.870 0.107 0.000 0.945 415 L CA 0.108 55.046 54.840 0.164 0.000 0.869 415 L CB 2.517 44.675 42.059 0.164 0.000 1.294 415 L HN 0.728 nan 8.230 nan 0.000 0.405 416 T N 4.100 118.694 114.554 0.066 0.000 2.767 416 T HA 0.709 5.059 4.350 0.000 0.000 0.284 416 T C -0.957 173.762 174.700 0.031 0.000 0.973 416 T CA -0.268 61.858 62.100 0.043 0.000 0.996 416 T CB 1.405 70.290 68.868 0.030 0.000 0.927 416 T HN 0.468 nan 8.240 nan 0.000 0.456 417 V N 5.715 125.643 119.914 0.025 0.000 3.007 417 V HA 0.675 4.796 4.120 0.000 0.000 0.311 417 V C -2.491 173.605 176.094 0.005 0.000 1.120 417 V CA -2.668 59.639 62.300 0.012 0.000 0.980 417 V CB 2.782 34.612 31.823 0.011 0.000 1.033 417 V HN 0.639 nan 8.190 nan 0.000 0.429 418 P HA 0.346 nan 4.420 nan 0.000 0.280 418 P C -1.127 176.168 177.300 -0.009 0.000 1.244 418 P CA 0.024 63.121 63.100 -0.005 0.000 0.784 418 P CB 1.335 33.031 31.700 -0.007 0.000 0.913 419 V N -0.004 119.905 119.914 -0.009 0.000 2.656 419 V HA 0.547 4.667 4.120 0.000 0.000 0.307 419 V C -0.248 175.839 176.094 -0.011 0.000 1.051 419 V CA -1.068 61.225 62.300 -0.012 0.000 0.893 419 V CB 2.030 33.846 31.823 -0.010 0.000 0.999 419 V HN 0.352 nan 8.190 nan 0.000 0.426 420 E N 2.648 122.840 120.200 -0.013 0.000 2.227 420 E HA 0.649 4.999 4.350 0.000 0.000 0.282 420 E C 0.386 176.979 176.600 -0.011 0.000 1.015 420 E CA -0.514 55.879 56.400 -0.012 0.000 0.823 420 E CB 1.802 31.493 29.700 -0.014 0.000 1.081 420 E HN 1.157 nan 8.360 nan 0.000 0.396 421 A N 2.433 125.248 122.820 -0.010 0.000 2.587 421 A HA 0.277 4.597 4.320 0.000 0.000 0.235 421 A C 1.272 178.851 177.584 -0.009 0.000 1.044 421 A CA 0.887 52.919 52.037 -0.009 0.000 0.754 421 A CB -0.478 18.517 19.000 -0.008 0.000 0.968 421 A HN 0.924 nan 8.150 nan 0.000 0.509 422 G N 1.877 110.673 108.800 -0.008 0.000 2.179 422 G HA2 -0.164 3.796 3.960 0.000 0.000 0.257 422 G HA3 -0.164 3.796 3.960 0.000 0.000 0.257 422 G C 0.434 175.329 174.900 -0.009 0.000 1.010 422 G CA 1.333 46.429 45.100 -0.008 0.000 0.736 422 G HN 2.100 nan 8.290 nan 0.000 0.513 423 T N -2.423 112.124 114.554 -0.011 0.000 2.937 423 T HA 0.747 5.097 4.350 0.000 0.000 0.283 423 T C -0.508 174.184 174.700 -0.014 0.000 1.012 423 T CA -0.838 61.253 62.100 -0.014 0.000 0.997 423 T CB 2.528 71.386 68.868 -0.017 0.000 1.136 423 T HN 0.127 nan 8.240 nan 0.000 0.551 424 E N 0.801 120.991 120.200 -0.017 0.000 2.183 424 E HA 0.556 4.906 4.350 0.000 0.000 0.271 424 E C -0.799 175.786 176.600 -0.025 0.000 0.919 424 E CA -0.635 55.755 56.400 -0.017 0.000 0.781 424 E CB 2.222 31.913 29.700 -0.015 0.000 1.140 424 E HN 0.566 nan 8.360 nan 0.000 0.402 425 L N 0.985 122.193 121.223 -0.025 0.000 2.342 425 L HA 0.451 4.791 4.340 0.000 0.000 0.271 425 L C 0.187 177.034 176.870 -0.039 0.000 1.008 425 L CA -0.713 54.106 54.840 -0.036 0.000 0.818 425 L CB 1.855 43.894 42.059 -0.033 0.000 1.296 425 L HN 0.464 nan 8.230 nan 0.000 0.427 426 E N 3.202 123.369 120.200 -0.055 0.000 2.331 426 E HA 0.385 4.735 4.350 0.000 0.000 0.243 426 E C -1.178 175.374 176.600 -0.081 0.000 0.925 426 E CA -0.437 55.930 56.400 -0.054 0.000 0.760 426 E CB 1.027 30.702 29.700 -0.042 0.000 1.254 426 E HN 0.489 nan 8.360 nan 0.000 0.419 427 I N 4.354 124.883 120.570 -0.068 0.000 2.352 427 I HA 0.236 4.406 4.170 0.000 0.000 0.290 427 I C -0.370 175.709 176.117 -0.064 0.000 1.036 427 I CA -0.604 60.656 61.300 -0.066 0.000 1.336 427 I CB 1.160 39.147 38.000 -0.022 0.000 1.407 427 I HN 0.217 nan 8.210 nan 0.000 0.497 428 V N 5.767 125.635 119.914 -0.078 0.000 2.789 428 V HA 0.480 4.600 4.120 0.000 0.000 0.311 428 V C -0.285 175.829 176.094 0.033 0.000 1.073 428 V CA -0.659 61.634 62.300 -0.012 0.000 0.921 428 V CB 2.030 33.824 31.823 -0.047 0.000 1.009 428 V HN 0.980 nan 8.190 nan 0.000 0.426 429 C N 2.984 122.332 119.300 0.080 0.000 2.712 429 C HA 1.002 5.462 4.460 0.000 0.000 0.308 429 C C -0.830 174.106 174.990 -0.090 0.000 1.201 429 C CA -0.973 58.013 59.018 -0.053 0.000 1.554 429 C CB 1.322 28.971 27.740 -0.151 0.000 2.117 429 C HN 1.083 nan 8.230 nan 0.000 0.480 430 K N 2.131 122.363 120.400 -0.280 0.000 2.523 430 K HA 0.844 5.164 4.320 0.000 0.000 0.257 430 K C -1.081 175.351 176.600 -0.281 0.000 0.932 430 K CA -0.321 55.786 56.287 -0.299 0.000 0.812 430 K CB 1.977 34.086 32.500 -0.652 0.000 1.326 430 K HN 1.215 nan 8.250 nan 0.000 0.433 431 A N 1.958 124.698 122.820 -0.135 0.000 2.354 431 A HA 0.760 5.080 4.320 0.000 0.000 0.321 431 A C -1.038 176.487 177.584 -0.099 0.000 1.125 431 A CA -0.850 51.110 52.037 -0.128 0.000 0.799 431 A CB 1.738 20.719 19.000 -0.032 0.000 1.293 431 A HN 0.418 nan 8.150 nan 0.000 0.452 432 V N 2.282 122.121 119.914 -0.125 0.000 2.588 432 V HA 0.429 4.549 4.120 0.000 0.000 0.304 432 V C -0.699 175.290 176.094 -0.175 0.000 1.042 432 V CA -0.639 61.581 62.300 -0.132 0.000 0.877 432 V CB 1.639 33.371 31.823 -0.151 0.000 0.996 432 V HN 1.109 nan 8.190 nan 0.000 0.425 433 D N 2.644 122.939 120.400 -0.175 0.000 2.549 433 D HA 0.227 4.867 4.640 0.000 0.000 0.270 433 D C 1.309 177.426 176.300 -0.305 0.000 1.181 433 D CA 0.050 53.929 54.000 -0.201 0.000 1.070 433 D CB 1.010 41.716 40.800 -0.156 0.000 1.154 433 D HN 0.431 nan 8.370 nan 0.000 0.602 434 S N -1.392 114.158 115.700 -0.250 0.000 2.507 434 S HA -0.117 4.353 4.470 0.000 0.000 0.235 434 S C 1.407 175.902 174.600 -0.175 0.000 0.988 434 S CA 0.795 58.841 58.200 -0.256 0.000 0.944 434 S CB -0.870 62.224 63.200 -0.177 0.000 0.762 434 S HN 0.541 nan 8.310 nan 0.000 0.526 435 S N -0.801 114.834 115.700 -0.108 0.000 2.597 435 S HA 0.252 4.722 4.470 0.000 0.000 0.224 435 S C 0.134 174.803 174.600 0.116 0.000 0.955 435 S CA -0.616 57.590 58.200 0.011 0.000 0.933 435 S CB -1.044 62.152 63.200 -0.006 0.000 0.788 435 S HN 0.457 nan 8.310 nan 0.000 0.488 436 Y N 0.898 121.171 120.300 -0.045 0.000 3.825 436 Y HA -0.220 4.330 4.550 0.000 0.000 0.221 436 Y C 0.359 176.238 175.900 -0.036 0.000 1.195 436 Y CA 0.305 58.379 58.100 -0.044 0.000 1.699 436 Y CB -2.514 35.921 38.460 -0.041 0.000 1.531 436 Y HN 0.426 nan 8.280 nan 0.000 0.640 437 N N 0.490 119.215 118.700 0.041 0.000 2.525 437 N HA 0.551 5.291 4.740 0.000 0.000 0.271 437 N C 0.087 175.610 175.510 0.022 0.000 1.194 437 N CA 0.509 53.578 53.050 0.032 0.000 0.964 437 N CB 1.563 40.055 38.487 0.009 0.000 1.126 437 N HN 0.162 nan 8.380 nan 0.000 0.452 438 V N -0.622 119.317 119.914 0.042 0.000 3.126 438 V HA 0.525 4.645 4.120 0.000 0.000 0.314 438 V C -0.377 175.774 176.094 0.095 0.000 1.138 438 V CA -1.005 61.325 62.300 0.051 0.000 1.034 438 V CB 1.842 33.698 31.823 0.054 0.000 1.075 438 V HN 0.481 nan 8.190 nan 0.000 0.442 439 Q N 2.074 121.970 119.800 0.161 0.000 2.222 439 Q HA 0.527 4.867 4.340 0.000 0.000 0.252 439 Q C -2.534 173.624 176.000 0.264 0.000 0.926 439 Q CA -1.814 54.127 55.803 0.230 0.000 0.899 439 Q CB 1.910 30.853 28.738 0.341 0.000 1.250 439 Q HN 0.686 nan 8.270 nan 0.000 0.441 440 P HA 0.075 nan 4.420 nan 0.000 0.281 440 P C -0.660 176.251 177.300 -0.650 0.000 1.249 440 P CA -0.248 62.768 63.100 -0.141 0.000 0.810 440 P CB 1.000 32.646 31.700 -0.090 0.000 1.008 441 D N 0.011 119.870 120.400 -0.902 0.000 2.104 441 D HA -0.095 4.545 4.640 0.000 0.000 0.194 441 D C 0.936 176.669 176.300 -0.946 0.000 0.994 441 D CA 1.743 54.721 54.000 -1.703 0.000 0.830 441 D CB -0.267 39.929 40.800 -1.006 0.000 0.959 441 D HN 0.514 nan 8.370 nan 0.000 0.452 442 S N -1.498 113.927 115.700 -0.457 0.000 2.632 442 S HA 0.477 4.947 4.470 0.000 0.000 0.289 442 S C 0.713 175.258 174.600 -0.090 0.000 1.115 442 S CA -0.903 57.168 58.200 -0.215 0.000 0.889 442 S CB 2.158 65.271 63.200 -0.146 0.000 1.116 442 S HN -0.134 nan 8.310 nan 0.000 0.486 443 V N 1.356 121.267 119.914 -0.006 0.000 2.535 443 V HA 0.034 4.154 4.120 0.000 0.000 0.246 443 V C 2.955 179.120 176.094 0.120 0.000 1.045 443 V CA 1.850 64.194 62.300 0.073 0.000 1.058 443 V CB -1.589 30.308 31.823 0.123 0.000 0.689 443 V HN 1.025 nan 8.190 nan 0.000 0.461 444 A N 1.265 124.135 122.820 0.083 0.000 1.884 444 A HA -0.196 4.125 4.320 0.000 0.000 0.219 444 A C 0.577 178.228 177.584 0.113 0.000 1.197 444 A CA 2.517 54.605 52.037 0.086 0.000 0.637 444 A CB -2.089 16.915 19.000 0.007 0.000 0.827 444 A HN 0.569 nan 8.150 nan 0.000 0.450 445 P HA -0.055 nan 4.420 nan 0.000 0.226 445 P C 1.048 178.397 177.300 0.082 0.000 1.153 445 P CA 1.098 64.231 63.100 0.055 0.000 0.777 445 P CB -0.204 31.503 31.700 0.011 0.000 0.794 446 I N -7.366 113.263 120.570 0.099 0.000 3.941 446 I HA 0.354 4.524 4.170 0.000 0.000 0.335 446 I C 0.442 176.637 176.117 0.130 0.000 1.402 446 I CA -0.897 60.457 61.300 0.090 0.000 1.112 446 I CB -0.439 37.593 38.000 0.054 0.000 1.043 446 I HN -0.233 nan 8.210 nan 0.000 0.395 447 W N 4.366 125.674 121.300 0.014 0.000 2.170 447 W HA 0.275 4.935 4.660 0.000 0.000 0.342 447 W C -0.008 176.523 176.519 0.020 0.000 1.294 447 W CA 0.566 57.924 57.345 0.022 0.000 1.246 447 W CB 0.500 29.968 29.460 0.014 0.000 1.156 447 W HN 0.484 nan 8.180 nan 0.000 0.572 448 N N 3.594 121.772 118.700 -0.871 0.000 2.484 448 N HA 0.204 4.944 4.740 0.000 0.000 0.269 448 N C 0.351 174.987 175.510 -1.457 0.000 1.237 448 N CA -0.638 51.931 53.050 -0.802 0.000 0.838 448 N CB 0.974 39.294 38.487 -0.279 0.000 1.593 448 N HN 0.520 nan 8.380 nan 0.000 0.485 449 L N -2.652 117.939 121.223 -1.054 0.000 2.261 449 L HA 0.114 4.454 4.340 0.000 0.000 0.216 449 L C 1.134 177.721 176.870 -0.471 0.000 1.114 449 L CA 1.024 55.334 54.840 -0.882 0.000 0.777 449 L CB -0.266 41.152 42.059 -1.069 0.000 0.910 449 L HN 0.511 nan 8.230 nan 0.000 0.440 450 R N 0.955 121.267 120.500 -0.312 0.000 2.334 450 R HA 0.176 4.516 4.340 0.000 0.000 0.216 450 R C 1.168 177.448 176.300 -0.033 0.000 0.905 450 R CA 0.670 56.757 56.100 -0.022 0.000 1.064 450 R CB 0.188 30.547 30.300 0.098 0.000 1.046 450 R HN 0.611 nan 8.270 nan 0.000 0.508 451 G N 2.049 110.713 108.800 -0.227 0.000 2.305 451 G HA2 -0.277 3.683 3.960 0.000 0.000 0.287 451 G HA3 -0.277 3.683 3.960 0.000 0.000 0.287 451 G C 0.446 175.343 174.900 -0.004 0.000 1.036 451 G CA 0.727 45.731 45.100 -0.161 0.000 0.887 451 G HN 0.267 nan 8.290 nan 0.000 0.505 452 V N -3.021 116.901 119.914 0.014 0.000 3.369 452 V HA 0.778 4.898 4.120 0.000 0.000 0.309 452 V C 1.664 177.790 176.094 0.053 0.000 1.069 452 V CA -0.519 61.837 62.300 0.093 0.000 1.042 452 V CB 1.214 33.133 31.823 0.160 0.000 1.192 452 V HN 1.098 nan 8.190 nan 0.000 0.447 453 L N -0.174 121.095 121.223 0.076 0.000 3.713 453 L HA -0.146 4.194 4.340 0.000 0.000 0.499 453 L C 0.498 177.406 176.870 0.063 0.000 1.281 453 L CA 0.952 55.832 54.840 0.066 0.000 0.796 453 L CB -1.541 40.544 42.059 0.043 0.000 1.535 453 L HN 0.932 nan 8.230 nan 0.000 0.851 454 S N 0.158 115.905 115.700 0.079 0.000 2.543 454 S HA 0.493 4.963 4.470 0.000 0.000 0.299 454 S C 0.934 175.601 174.600 0.111 0.000 1.125 454 S CA 0.161 58.414 58.200 0.090 0.000 1.098 454 S CB 0.367 63.625 63.200 0.097 0.000 1.063 454 S HN 0.488 nan 8.310 nan 0.000 0.493 455 T N 1.092 115.714 114.554 0.114 0.000 3.231 455 T HA 0.540 4.890 4.350 0.000 0.000 0.292 455 T C 0.540 175.332 174.700 0.154 0.000 1.001 455 T CA -0.018 62.168 62.100 0.144 0.000 0.920 455 T CB 0.234 69.186 68.868 0.141 0.000 1.140 455 T HN 0.556 nan 8.240 nan 0.000 0.525 456 A N 1.221 124.112 122.820 0.119 0.000 2.386 456 A HA 0.494 4.814 4.320 0.000 0.000 0.246 456 A C 0.264 177.990 177.584 0.236 0.000 1.089 456 A CA -0.654 51.426 52.037 0.071 0.000 0.790 456 A CB -0.114 18.875 19.000 -0.019 0.000 1.042 456 A HN 0.523 nan 8.150 nan 0.000 0.497 457 W N 0.754 122.134 121.300 0.132 0.000 2.314 457 W HA 0.063 4.723 4.660 0.000 0.000 0.339 457 W C 0.933 177.572 176.519 0.200 0.000 1.293 457 W CA 0.189 57.631 57.345 0.161 0.000 1.288 457 W CB -0.671 28.898 29.460 0.181 0.000 1.186 457 W HN 0.678 nan 8.180 nan 0.000 0.566 458 H N 4.078 123.337 119.070 0.315 0.000 2.767 458 H HA 0.292 4.848 4.556 0.000 0.000 0.316 458 H C -0.283 175.167 175.328 0.203 0.000 1.059 458 H CA -0.143 56.030 56.048 0.208 0.000 1.461 458 H CB 0.483 30.330 29.762 0.142 0.000 1.475 458 H HN 0.299 nan 8.280 nan 0.000 0.531 459 R N 4.172 124.600 120.500 -0.120 0.000 2.480 459 R HA 0.397 4.737 4.340 0.000 0.000 0.306 459 R C -1.342 174.797 176.300 -0.268 0.000 0.958 459 R CA -0.911 55.117 56.100 -0.120 0.000 0.861 459 R CB 2.411 32.737 30.300 0.043 0.000 1.171 459 R HN 0.263 nan 8.270 nan 0.000 0.445 460 V N 3.835 123.616 119.914 -0.221 0.000 2.443 460 V HA 0.410 4.530 4.120 0.000 0.000 0.293 460 V C -0.143 175.913 176.094 -0.063 0.000 1.021 460 V CA -0.833 61.375 62.300 -0.154 0.000 0.848 460 V CB 1.763 33.497 31.823 -0.149 0.000 0.998 460 V HN 0.645 nan 8.190 nan 0.000 0.424 461 R N 3.211 123.692 120.500 -0.031 0.000 2.265 461 R HA 0.778 5.119 4.340 0.000 0.000 0.319 461 R C -0.622 175.674 176.300 -0.008 0.000 1.006 461 R CA -0.369 55.721 56.100 -0.016 0.000 0.880 461 R CB 1.871 32.168 30.300 -0.005 0.000 1.077 461 R HN 0.677 nan 8.270 nan 0.000 0.454 462 V N -0.978 118.930 119.914 -0.009 0.000 3.159 462 V HA 0.736 4.856 4.120 0.000 0.000 0.308 462 V C -0.453 175.638 176.094 -0.006 0.000 1.190 462 V CA -0.981 61.317 62.300 -0.004 0.000 1.037 462 V CB 2.129 33.951 31.823 -0.002 0.000 1.060 462 V HN 0.817 nan 8.190 nan 0.000 0.437 463 S N 0.400 116.098 115.700 -0.004 0.000 2.607 463 S HA 0.880 5.351 4.470 0.000 0.000 0.303 463 S C -0.663 173.933 174.600 -0.006 0.000 1.086 463 S CA -0.766 57.431 58.200 -0.006 0.000 0.995 463 S CB 1.702 64.900 63.200 -0.004 0.000 1.084 463 S HN 1.315 nan 8.310 nan 0.000 0.507 464 V N 2.735 122.645 119.914 -0.008 0.000 2.394 464 V HA 0.343 4.463 4.120 0.000 0.000 0.282 464 V C 0.359 176.449 176.094 -0.007 0.000 1.031 464 V CA -0.768 61.528 62.300 -0.007 0.000 0.881 464 V CB 0.817 32.634 31.823 -0.009 0.000 0.982 464 V HN 0.973 nan 8.190 nan 0.000 0.451 465 Q N 2.230 122.026 119.800 -0.006 0.000 2.651 465 Q HA 0.207 4.547 4.340 0.000 0.000 0.224 465 Q C -0.678 175.318 176.000 -0.006 0.000 1.094 465 Q CA -0.134 55.665 55.803 -0.006 0.000 1.018 465 Q CB 0.526 29.261 28.738 -0.006 0.000 1.292 465 Q HN 0.724 nan 8.270 nan 0.000 0.588 466 D N 0.000 120.396 120.400 -0.006 0.000 6.856 466 D HA 0.000 4.640 4.640 0.000 0.000 0.175 466 D CA 0.000 53.996 54.000 -0.006 0.000 0.868 466 D CB 0.000 40.797 40.800 -0.006 0.000 0.688 466 D HN 0.000 nan 8.370 nan 0.000 0.683