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 3cv8_1_A DATA FIRST_RESID 7 DATA SEQUENCE TPQTTDAPAF PSNRSCPYQL PDGYAQLRDT PGPLHRVTLY DGRQAWVVTK DATA SEQUENCE HEAARKLLGD PRLSSNRTDD NFPATSPFFE AVRESPQAFI GLDPPEHGTR DATA SEQUENCE RRMTISEFTV KRIKGMRPEV EEVVHGFLDE MLAAGPTADL VSQFALPVPS DATA SEQUENCE MVICRLLGVP YADHEFFQDA SKRLVQSTDA QSALTARNDL AGYLDGLITQ DATA SEQUENCE FQTEPGAGLV GALVADQLAN GEIDREELIS TAMLLLIAGH ETTASMTSLS DATA SEQUENCE VITLLDHPEQ YAALRADRSL VPGAVEELLR YLAIADIAGG RVATADIEVE DATA SEQUENCE GQLIRAGEGV IVVNSIANRD GTVYEDPDAL DIHRSARHHL AFGFGVHQCL DATA SEQUENCE GQNLARLELE VILNALMDRV PTLRLAVPVE QLVLRPGTTI QGVNELPVTW DATA SEQUENCE HH 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 7 T HA 0.000 nan 4.350 nan 0.000 0.228 7 T C 0.000 174.701 174.700 0.002 0.000 1.109 7 T CA 0.000 62.100 62.100 0.001 0.000 1.349 7 T CB 0.000 68.868 68.868 -0.000 0.000 0.612 8 P HA 0.380 nan 4.420 nan 0.000 0.271 8 P C 0.372 177.674 177.300 0.004 0.000 1.216 8 P CA -0.403 62.700 63.100 0.004 0.000 0.776 8 P CB 0.643 32.346 31.700 0.005 0.000 0.881 9 Q N -0.228 119.575 119.800 0.006 0.000 2.247 9 Q HA 0.085 4.493 4.340 0.114 0.000 0.211 9 Q C 0.041 176.047 176.000 0.011 0.000 0.861 9 Q CA 0.283 56.090 55.803 0.007 0.000 0.949 9 Q CB -0.050 28.692 28.738 0.006 0.000 1.115 9 Q HN 0.472 nan 8.270 nan 0.000 0.507 10 T N 1.684 116.246 114.554 0.012 0.000 2.933 10 T HA 0.095 4.513 4.350 0.114 0.000 0.306 10 T C 0.213 174.925 174.700 0.019 0.000 1.045 10 T CA 0.906 63.017 62.100 0.018 0.000 1.143 10 T CB 0.539 69.418 68.868 0.019 0.000 1.003 10 T HN 0.063 nan 8.240 nan 0.000 0.540 11 T N 0.954 115.525 114.554 0.029 0.000 2.906 11 T HA 0.398 4.816 4.350 0.114 0.000 0.295 11 T C 0.004 174.736 174.700 0.052 0.000 1.061 11 T CA -0.944 61.173 62.100 0.028 0.000 1.000 11 T CB 1.308 70.190 68.868 0.023 0.000 1.103 11 T HN 0.637 nan 8.240 nan 0.000 0.486 12 D N 1.439 121.862 120.400 0.038 0.000 2.368 12 D HA 0.301 5.009 4.640 0.114 0.000 0.218 12 D C 0.262 176.608 176.300 0.077 0.000 1.112 12 D CA -0.301 53.740 54.000 0.069 0.000 0.834 12 D CB 0.138 40.936 40.800 -0.003 0.000 0.953 12 D HN 0.487 nan 8.370 nan 0.000 0.505 13 A N 1.584 124.437 122.820 0.055 0.000 3.159 13 A HA 0.467 4.855 4.320 0.114 0.000 0.330 13 A C -2.721 174.902 177.584 0.065 0.000 1.032 13 A CA -1.173 50.888 52.037 0.040 0.000 0.841 13 A CB 0.700 19.666 19.000 -0.057 0.000 1.093 13 A HN -0.019 nan 8.150 nan 0.000 0.478 14 P HA 0.221 nan 4.420 nan 0.000 0.269 14 P C 0.387 177.755 177.300 0.113 0.000 1.215 14 P CA 0.231 63.384 63.100 0.089 0.000 0.780 14 P CB 0.712 32.459 31.700 0.079 0.000 0.898 15 A N 2.449 125.331 122.820 0.104 0.000 2.546 15 A HA 0.282 4.671 4.320 0.114 0.000 0.243 15 A C -0.456 177.254 177.584 0.210 0.000 1.063 15 A CA 0.499 52.611 52.037 0.125 0.000 0.757 15 A CB -0.945 18.104 19.000 0.081 0.000 0.991 15 A HN 0.540 nan 8.150 nan 0.000 0.503 16 F N 4.646 124.634 119.950 0.063 0.000 2.578 16 F HA 0.644 5.238 4.527 0.112 0.000 0.311 16 F C -2.345 173.508 175.800 0.089 0.000 1.094 16 F CA -1.981 56.070 58.000 0.085 0.000 0.923 16 F CB 2.314 41.327 39.000 0.021 0.000 1.230 16 F HN 0.460 nan 8.300 nan 0.000 0.450 17 P HA 0.346 nan 4.420 nan 0.000 0.277 17 P C -1.291 175.834 177.300 -0.292 0.000 1.276 17 P CA -0.311 62.233 63.100 -0.926 0.000 0.788 17 P CB 1.237 32.551 31.700 -0.644 0.000 1.114 18 S N -0.289 115.274 115.700 -0.229 0.000 2.638 18 S HA 0.444 4.982 4.470 0.114 0.000 0.302 18 S C -0.363 174.006 174.600 -0.385 0.000 1.096 18 S CA -0.670 57.376 58.200 -0.258 0.000 0.953 18 S CB 0.879 63.921 63.200 -0.263 0.000 1.107 18 S HN 0.381 nan 8.310 nan 0.000 0.503 19 N N 1.466 119.996 118.700 -0.283 0.000 2.473 19 N HA 0.343 5.151 4.740 0.114 0.000 0.291 19 N C -0.427 174.913 175.510 -0.283 0.000 1.083 19 N CA -0.465 52.435 53.050 -0.250 0.000 0.951 19 N CB 0.614 39.003 38.487 -0.162 0.000 1.164 19 N HN 0.425 nan 8.380 nan 0.000 0.480 20 R N 0.079 120.423 120.500 -0.261 0.000 2.543 20 R HA 0.090 4.498 4.340 0.114 0.000 0.277 20 R C 1.021 177.211 176.300 -0.183 0.000 1.074 20 R CA -0.015 55.943 56.100 -0.237 0.000 1.076 20 R CB 0.406 30.580 30.300 -0.210 0.000 0.993 20 R HN 0.723 nan 8.270 nan 0.000 0.459 21 S N 0.328 115.922 115.700 -0.177 0.000 2.497 21 S HA 0.004 4.542 4.470 0.114 0.000 0.221 21 S C 0.728 175.228 174.600 -0.166 0.000 1.037 21 S CA -0.451 57.661 58.200 -0.146 0.000 0.920 21 S CB 0.439 63.564 63.200 -0.125 0.000 0.800 21 S HN 0.615 nan 8.310 nan 0.000 0.505 22 C N 3.535 122.704 119.300 -0.218 0.000 2.408 22 C HA 0.666 5.194 4.460 0.114 0.000 0.321 22 C C -1.655 173.134 174.990 -0.336 0.000 1.245 22 C CA -2.119 56.709 59.018 -0.317 0.000 1.523 22 C CB 1.468 28.961 27.740 -0.411 0.000 2.178 22 C HN 0.236 nan 8.230 nan 0.000 0.488 23 P HA -0.141 nan 4.420 nan 0.000 0.217 23 P C 0.297 177.533 177.300 -0.106 0.000 1.148 23 P CA 1.874 64.884 63.100 -0.150 0.000 0.828 23 P CB -0.192 31.490 31.700 -0.030 0.000 0.783 24 Y N -3.208 117.048 120.300 -0.072 0.000 2.696 24 Y HA 0.691 5.309 4.550 0.113 0.000 0.260 24 Y C 0.354 176.071 175.900 -0.304 0.000 1.165 24 Y CA -1.259 56.748 58.100 -0.155 0.000 1.189 24 Y CB -0.546 37.938 38.460 0.041 0.000 1.180 24 Y HN -0.219 nan 8.280 nan 0.000 0.538 25 Q N 1.325 120.964 119.800 -0.269 0.000 2.394 25 Q HA 0.485 4.893 4.340 0.114 0.000 0.273 25 Q C -0.793 175.096 176.000 -0.186 0.000 1.089 25 Q CA -0.978 54.701 55.803 -0.207 0.000 0.812 25 Q CB 2.264 30.892 28.738 -0.183 0.000 1.353 25 Q HN 0.530 nan 8.270 nan 0.000 0.438 26 L N 3.770 124.916 121.223 -0.128 0.000 2.514 26 L HA 0.162 4.570 4.340 0.114 0.000 0.280 26 L C -1.812 174.961 176.870 -0.161 0.000 1.223 26 L CA -1.393 53.391 54.840 -0.092 0.000 0.864 26 L CB 0.034 42.111 42.059 0.030 0.000 1.118 26 L HN 0.444 nan 8.230 nan 0.000 0.494 27 P HA -0.041 nan 4.420 nan 0.000 0.265 27 P C 0.024 177.230 177.300 -0.156 0.000 1.187 27 P CA -0.070 62.825 63.100 -0.342 0.000 0.766 27 P CB 0.458 31.725 31.700 -0.722 0.000 0.820 28 D N 2.907 123.245 120.400 -0.104 0.000 2.157 28 D HA -0.190 4.518 4.640 0.114 0.000 0.191 28 D C 2.222 178.533 176.300 0.017 0.000 1.004 28 D CA 2.277 56.256 54.000 -0.035 0.000 0.854 28 D CB -0.919 39.859 40.800 -0.037 0.000 0.936 28 D HN 0.574 nan 8.370 nan 0.000 0.446 29 G N -0.575 108.242 108.800 0.029 0.000 2.469 29 G HA2 -0.287 3.741 3.960 0.114 0.000 0.220 29 G HA3 -0.287 3.741 3.960 0.114 0.000 0.220 29 G C 1.350 176.407 174.900 0.260 0.000 1.136 29 G CA 0.708 45.885 45.100 0.128 0.000 0.759 29 G HN 0.254 nan 8.290 nan 0.000 0.562 30 Y N 0.894 121.198 120.300 0.007 0.000 2.286 30 Y HA 0.249 4.868 4.550 0.114 0.000 0.293 30 Y C 3.036 178.943 175.900 0.012 0.000 1.124 30 Y CA -0.174 57.945 58.100 0.032 0.000 1.178 30 Y CB -0.947 37.535 38.460 0.036 0.000 1.010 30 Y HN 0.257 nan 8.280 nan 0.000 0.536 31 A N -0.085 122.832 122.820 0.162 0.000 1.972 31 A HA -0.244 4.144 4.320 0.114 0.000 0.219 31 A C 2.158 179.778 177.584 0.061 0.000 1.169 31 A CA 1.741 53.831 52.037 0.089 0.000 0.635 31 A CB -0.638 18.395 19.000 0.055 0.000 0.810 31 A HN 0.507 nan 8.150 nan 0.000 0.446 32 Q N -0.524 119.308 119.800 0.053 0.000 2.016 32 Q HA -0.069 4.339 4.340 0.114 0.000 0.200 32 Q C 2.090 178.078 176.000 -0.020 0.000 0.978 32 Q CA 1.456 57.269 55.803 0.017 0.000 0.833 32 Q CB -0.316 28.427 28.738 0.009 0.000 0.895 32 Q HN 0.678 nan 8.270 nan 0.000 0.427 33 L N 0.503 121.702 121.223 -0.041 0.000 2.043 33 L HA -0.245 4.163 4.340 0.114 0.000 0.212 33 L C 2.708 179.558 176.870 -0.033 0.000 1.075 33 L CA 1.149 55.920 54.840 -0.115 0.000 0.752 33 L CB -0.525 41.455 42.059 -0.132 0.000 0.891 33 L HN 0.228 nan 8.230 nan 0.000 0.432 34 R N 0.355 120.864 120.500 0.016 0.000 2.105 34 R HA -0.197 4.211 4.340 0.114 0.000 0.239 34 R C 1.496 177.819 176.300 0.039 0.000 1.135 34 R CA 1.976 58.099 56.100 0.039 0.000 0.967 34 R CB -0.431 29.908 30.300 0.066 0.000 0.861 34 R HN 0.388 nan 8.270 nan 0.000 0.442 35 D N 0.276 120.696 120.400 0.033 0.000 2.277 35 D HA -0.049 4.659 4.640 0.114 0.000 0.208 35 D C 0.346 176.669 176.300 0.037 0.000 0.962 35 D CA 0.877 54.898 54.000 0.035 0.000 0.865 35 D CB -0.081 40.739 40.800 0.033 0.000 0.939 35 D HN 0.356 nan 8.370 nan 0.000 0.510 36 T N 0.295 114.872 114.554 0.039 0.000 2.799 36 T HA 0.330 4.748 4.350 0.114 0.000 0.296 36 T C -2.589 172.153 174.700 0.070 0.000 0.947 36 T CA -1.700 60.442 62.100 0.069 0.000 1.141 36 T CB 1.313 70.254 68.868 0.121 0.000 0.891 36 T HN -0.227 nan 8.240 nan 0.000 0.533 37 P HA 0.455 nan 4.420 nan 0.000 0.268 37 P C 0.627 177.954 177.300 0.045 0.000 1.208 37 P CA 0.790 63.915 63.100 0.042 0.000 0.777 37 P CB 0.171 31.890 31.700 0.032 0.000 0.875 38 G N 2.859 111.672 108.800 0.022 0.000 2.784 38 G HA2 -0.078 3.950 3.960 0.114 0.000 0.686 38 G HA3 -0.078 3.950 3.960 0.114 0.000 0.686 38 G C -2.291 172.609 174.900 0.001 0.000 1.156 38 G CA -0.583 44.521 45.100 0.005 0.000 0.757 38 G HN 0.340 nan 8.290 nan 0.000 0.642 39 P HA 0.106 nan 4.420 nan 0.000 0.233 39 P C 0.622 177.889 177.300 -0.055 0.000 1.167 39 P CA 0.843 63.910 63.100 -0.054 0.000 0.770 39 P CB 0.267 31.911 31.700 -0.094 0.000 0.837 40 L N -0.814 120.382 121.223 -0.046 0.000 2.401 40 L HA 0.536 4.945 4.340 0.114 0.000 0.266 40 L C -0.185 176.828 176.870 0.237 0.000 0.991 40 L CA -0.842 54.001 54.840 0.005 0.000 0.818 40 L CB 2.429 44.289 42.059 -0.332 0.000 1.321 40 L HN -0.023 nan 8.230 nan 0.000 0.413 41 H N 2.287 121.507 119.070 0.251 0.000 2.851 41 H HA 0.486 5.110 4.556 0.113 0.000 0.372 41 H C -1.031 174.377 175.328 0.133 0.000 1.158 41 H CA -0.806 55.367 56.048 0.209 0.000 1.159 41 H CB 2.406 32.199 29.762 0.051 0.000 1.757 41 H HN 0.578 nan 8.280 nan 0.000 0.546 42 R N 1.738 122.122 120.500 -0.193 0.000 2.490 42 R HA 0.395 4.803 4.340 0.114 0.000 0.280 42 R C -0.257 176.040 176.300 -0.006 0.000 1.077 42 R CA -0.498 55.413 56.100 -0.317 0.000 1.065 42 R CB 0.976 30.966 30.300 -0.517 0.000 1.003 42 R HN 0.348 nan 8.270 nan 0.000 0.470 43 V N -1.677 118.169 119.914 -0.114 0.000 3.130 43 V HA 0.580 4.768 4.120 0.114 0.000 0.310 43 V C -0.506 175.561 176.094 -0.045 0.000 1.158 43 V CA -0.927 61.357 62.300 -0.026 0.000 1.029 43 V CB 2.386 34.177 31.823 -0.054 0.000 1.057 43 V HN 0.681 nan 8.190 nan 0.000 0.436 44 T N 3.996 118.566 114.554 0.027 0.000 2.758 44 T HA 0.666 5.084 4.350 0.114 0.000 0.285 44 T C -0.109 174.637 174.700 0.077 0.000 0.981 44 T CA -0.275 61.834 62.100 0.015 0.000 0.965 44 T CB 0.855 69.728 68.868 0.008 0.000 0.927 44 T HN 0.634 nan 8.240 nan 0.000 0.448 45 L N 2.503 123.760 121.223 0.056 0.000 2.454 45 L HA 0.313 4.721 4.340 0.114 0.000 0.256 45 L C 1.901 178.832 176.870 0.101 0.000 1.136 45 L CA -0.993 53.926 54.840 0.131 0.000 0.804 45 L CB 0.299 42.429 42.059 0.117 0.000 1.181 45 L HN 0.784 nan 8.230 nan 0.000 0.469 46 Y N 0.351 120.679 120.300 0.045 0.000 2.298 46 Y HA -0.245 4.371 4.550 0.110 0.000 0.287 46 Y C 1.563 177.482 175.900 0.032 0.000 1.164 46 Y CA 1.190 59.313 58.100 0.040 0.000 1.229 46 Y CB -0.896 37.594 38.460 0.051 0.000 0.977 46 Y HN 0.710 nan 8.280 nan 0.000 0.538 47 D N -1.193 118.706 120.400 -0.835 0.000 2.349 47 D HA 0.230 4.938 4.640 0.114 0.000 0.214 47 D C 1.812 177.938 176.300 -0.289 0.000 1.063 47 D CA 0.483 54.075 54.000 -0.679 0.000 0.847 47 D CB 0.072 40.362 40.800 -0.851 0.000 0.933 47 D HN 0.555 nan 8.370 nan 0.000 0.513 48 G N 0.274 108.961 108.800 -0.188 0.000 2.238 48 G HA2 -0.262 3.766 3.960 0.114 0.000 0.217 48 G HA3 -0.262 3.766 3.960 0.114 0.000 0.217 48 G C 0.382 175.224 174.900 -0.097 0.000 0.996 48 G CA -0.292 44.743 45.100 -0.109 0.000 0.632 48 G HN 0.395 nan 8.290 nan 0.000 0.503 49 R N 0.860 121.291 120.500 -0.114 0.000 2.641 49 R HA 0.460 4.868 4.340 0.114 0.000 0.269 49 R C 0.358 176.601 176.300 -0.095 0.000 1.074 49 R CA 0.079 56.121 56.100 -0.097 0.000 1.133 49 R CB 0.387 30.633 30.300 -0.090 0.000 1.029 49 R HN 0.415 nan 8.270 nan 0.000 0.488 50 Q N 0.198 119.925 119.800 -0.122 0.000 2.215 50 Q HA 0.667 5.075 4.340 0.114 0.000 0.256 50 Q C -0.898 174.978 176.000 -0.208 0.000 0.972 50 Q CA -0.698 55.004 55.803 -0.168 0.000 0.889 50 Q CB 2.239 30.851 28.738 -0.210 0.000 1.281 50 Q HN 0.667 nan 8.270 nan 0.000 0.456 51 A N 0.881 123.543 122.820 -0.264 0.000 2.599 51 A HA 0.615 5.003 4.320 0.114 0.000 0.290 51 A C -2.190 175.194 177.584 -0.334 0.000 1.101 51 A CA -0.789 51.088 52.037 -0.266 0.000 0.674 51 A CB 0.812 19.707 19.000 -0.174 0.000 1.277 51 A HN 0.691 nan 8.150 nan 0.000 0.419 52 W N 0.346 121.549 121.300 -0.161 0.000 2.449 52 W HA 0.529 5.254 4.660 0.108 0.000 0.331 52 W C 0.163 176.533 176.519 -0.248 0.000 1.119 52 W CA -0.400 56.843 57.345 -0.170 0.000 1.240 52 W CB 1.852 31.230 29.460 -0.138 0.000 1.251 52 W HN 0.694 nan 8.180 nan 0.000 0.576 53 V N 0.549 120.471 119.914 0.013 0.000 2.628 53 V HA 0.715 4.903 4.120 0.114 0.000 0.306 53 V C -0.694 175.363 176.094 -0.060 0.000 1.045 53 V CA -1.235 60.957 62.300 -0.179 0.000 0.905 53 V CB 1.117 32.636 31.823 -0.507 0.000 0.997 53 V HN 0.287 nan 8.190 nan 0.000 0.436 54 V N 4.125 123.982 119.914 -0.096 0.000 2.407 54 V HA 0.461 4.649 4.120 0.114 0.000 0.278 54 V C 1.257 177.313 176.094 -0.064 0.000 1.037 54 V CA 0.567 62.824 62.300 -0.073 0.000 0.900 54 V CB 1.051 32.826 31.823 -0.081 0.000 0.983 54 V HN 1.164 nan 8.190 nan 0.000 0.459 55 T N 0.294 114.828 114.554 -0.035 0.000 3.091 55 T HA 0.343 4.761 4.350 0.114 0.000 0.277 55 T C 0.289 174.999 174.700 0.016 0.000 0.996 55 T CA -0.373 61.718 62.100 -0.016 0.000 0.897 55 T CB 0.221 69.087 68.868 -0.003 0.000 1.109 55 T HN 0.425 nan 8.240 nan 0.000 0.534 56 K N 0.411 120.817 120.400 0.011 0.000 2.435 56 K HA 0.354 4.742 4.320 0.114 0.000 0.251 56 K C 0.283 176.910 176.600 0.046 0.000 0.954 56 K CA -0.834 55.477 56.287 0.040 0.000 0.820 56 K CB 1.631 34.142 32.500 0.018 0.000 1.292 56 K HN -0.006 nan 8.250 nan 0.000 0.436 57 H N 1.343 120.413 119.070 -0.001 0.000 2.299 57 H HA -0.105 4.521 4.556 0.116 0.000 0.302 57 H C 1.066 176.356 175.328 -0.062 0.000 1.078 57 H CA 2.214 58.262 56.048 -0.000 0.000 1.323 57 H CB 0.670 30.443 29.762 0.019 0.000 1.381 57 H HN 0.633 nan 8.280 nan 0.000 0.498 58 E N 0.737 120.954 120.200 0.028 0.000 2.106 58 E HA -0.048 4.370 4.350 0.114 0.000 0.192 58 E C 2.255 178.766 176.600 -0.147 0.000 0.984 58 E CA 1.301 57.655 56.400 -0.077 0.000 0.806 58 E CB -0.451 29.229 29.700 -0.033 0.000 0.750 58 E HN 0.494 nan 8.360 nan 0.000 0.458 59 A N 0.666 123.422 122.820 -0.106 0.000 1.930 59 A HA -0.015 4.374 4.320 0.114 0.000 0.217 59 A C 2.402 179.904 177.584 -0.136 0.000 1.175 59 A CA 1.869 53.837 52.037 -0.115 0.000 0.627 59 A CB -0.876 18.065 19.000 -0.097 0.000 0.815 59 A HN 0.344 nan 8.150 nan 0.000 0.443 60 A N 0.005 122.735 122.820 -0.149 0.000 1.865 60 A HA -0.215 4.173 4.320 0.114 0.000 0.217 60 A C 2.257 179.720 177.584 -0.201 0.000 1.191 60 A CA 1.754 53.700 52.037 -0.151 0.000 0.623 60 A CB -0.519 18.395 19.000 -0.144 0.000 0.826 60 A HN 0.543 nan 8.150 nan 0.000 0.444 61 R N -0.646 119.630 120.500 -0.373 0.000 2.083 61 R HA -0.156 4.252 4.340 0.114 0.000 0.237 61 R C 2.449 178.504 176.300 -0.407 0.000 1.137 61 R CA 1.828 57.546 56.100 -0.638 0.000 0.951 61 R CB -0.299 29.445 30.300 -0.927 0.000 0.851 61 R HN 0.644 nan 8.270 nan 0.000 0.434 62 K N 0.892 121.139 120.400 -0.255 0.000 2.032 62 K HA -0.161 4.227 4.320 0.114 0.000 0.209 62 K C 2.023 178.597 176.600 -0.044 0.000 1.048 62 K CA 1.389 57.605 56.287 -0.118 0.000 0.927 62 K CB -0.085 32.352 32.500 -0.105 0.000 0.712 62 K HN 0.122 nan 8.250 nan 0.000 0.441 63 L N 0.752 121.939 121.223 -0.061 0.000 2.072 63 L HA -0.140 4.269 4.340 0.114 0.000 0.205 63 L C 2.404 179.293 176.870 0.031 0.000 1.079 63 L CA 0.764 55.586 54.840 -0.030 0.000 0.752 63 L CB -0.281 41.739 42.059 -0.065 0.000 0.906 63 L HN 0.240 nan 8.230 nan 0.000 0.436 64 L N -0.376 120.886 121.223 0.066 0.000 2.187 64 L HA -0.152 4.256 4.340 0.114 0.000 0.213 64 L C 2.295 179.310 176.870 0.242 0.000 1.100 64 L CA 1.244 56.184 54.840 0.167 0.000 0.765 64 L CB -0.716 41.489 42.059 0.243 0.000 0.904 64 L HN 0.328 nan 8.230 nan 0.000 0.437 65 G N -1.931 107.040 108.800 0.284 0.000 2.985 65 G HA2 -0.119 3.909 3.960 0.114 0.000 0.209 65 G HA3 -0.119 3.909 3.960 0.114 0.000 0.209 65 G C 0.217 175.197 174.900 0.134 0.000 1.165 65 G CA -0.194 45.070 45.100 0.274 0.000 0.776 65 G HN 0.148 nan 8.290 nan 0.000 0.541 66 D N 0.869 121.322 120.400 0.089 0.000 2.313 66 D HA 0.210 4.918 4.640 0.114 0.000 0.239 66 D C -1.133 175.197 176.300 0.049 0.000 1.142 66 D CA -2.248 51.782 54.000 0.050 0.000 0.847 66 D CB 2.178 42.989 40.800 0.020 0.000 1.082 66 D HN 0.018 nan 8.370 nan 0.000 0.480 67 P HA -0.063 nan 4.420 nan 0.000 0.228 67 P C 0.899 178.223 177.300 0.041 0.000 1.151 67 P CA 0.476 63.603 63.100 0.044 0.000 0.770 67 P CB 0.358 32.080 31.700 0.036 0.000 0.786 68 R N -0.692 119.826 120.500 0.030 0.000 2.280 68 R HA 0.122 4.530 4.340 0.114 0.000 0.207 68 R C 0.870 177.187 176.300 0.028 0.000 1.043 68 R CA 0.295 56.410 56.100 0.024 0.000 1.006 68 R CB -0.301 30.006 30.300 0.010 0.000 0.885 68 R HN 0.258 nan 8.270 nan 0.000 0.467 69 L N 1.536 122.778 121.223 0.032 0.000 2.272 69 L HA 0.185 4.593 4.340 0.114 0.000 0.284 69 L C 0.131 177.038 176.870 0.062 0.000 1.045 69 L CA -0.406 54.456 54.840 0.036 0.000 0.842 69 L CB 1.515 43.587 42.059 0.021 0.000 1.224 69 L HN 0.004 nan 8.230 nan 0.000 0.430 70 S N 1.369 117.115 115.700 0.077 0.000 2.580 70 S HA 0.166 4.704 4.470 0.114 0.000 0.274 70 S C 1.016 175.696 174.600 0.132 0.000 1.329 70 S CA -0.459 57.802 58.200 0.102 0.000 1.036 70 S CB 1.287 64.551 63.200 0.106 0.000 0.919 70 S HN 0.600 nan 8.310 nan 0.000 0.515 71 S N 2.813 118.575 115.700 0.103 0.000 2.577 71 S HA 0.146 4.685 4.470 0.114 0.000 0.219 71 S C 0.441 175.083 174.600 0.070 0.000 0.962 71 S CA -0.388 57.857 58.200 0.074 0.000 0.921 71 S CB -0.458 62.611 63.200 -0.218 0.000 0.789 71 S HN 0.771 nan 8.310 nan 0.000 0.497 72 N N 2.967 121.724 118.700 0.096 0.000 2.399 72 N HA 0.005 4.813 4.740 0.114 0.000 0.284 72 N C 0.805 176.240 175.510 -0.125 0.000 1.283 72 N CA 0.134 53.196 53.050 0.019 0.000 0.972 72 N CB 0.136 38.664 38.487 0.069 0.000 1.328 72 N HN 0.279 nan 8.380 nan 0.000 0.486 73 R N 0.965 121.216 120.500 -0.415 0.000 2.323 73 R HA -0.025 4.383 4.340 0.114 0.000 0.198 73 R C 1.104 177.195 176.300 -0.349 0.000 0.988 73 R CA 1.124 56.688 56.100 -0.894 0.000 1.041 73 R CB -0.079 29.715 30.300 -0.844 0.000 0.926 73 R HN 0.582 nan 8.270 nan 0.000 0.476 74 T N -2.420 112.045 114.554 -0.148 0.000 3.086 74 T HA 0.003 4.421 4.350 0.114 0.000 0.250 74 T C 0.509 175.224 174.700 0.025 0.000 1.074 74 T CA -0.395 61.677 62.100 -0.047 0.000 0.988 74 T CB 0.111 68.957 68.868 -0.036 0.000 0.988 74 T HN -0.015 nan 8.240 nan 0.000 0.530 75 D N 1.637 122.078 120.400 0.069 0.000 2.424 75 D HA -0.004 4.705 4.640 0.114 0.000 0.244 75 D C 0.266 176.648 176.300 0.137 0.000 1.134 75 D CA -0.096 53.972 54.000 0.114 0.000 0.881 75 D CB 1.038 41.932 40.800 0.157 0.000 1.191 75 D HN 0.057 nan 8.370 nan 0.000 0.445 76 D N 2.419 122.877 120.400 0.096 0.000 2.190 76 D HA -0.153 4.555 4.640 0.114 0.000 0.200 76 D C 0.792 177.151 176.300 0.097 0.000 0.992 76 D CA 1.004 55.056 54.000 0.086 0.000 0.854 76 D CB 0.175 41.008 40.800 0.056 0.000 0.936 76 D HN 0.436 nan 8.370 nan 0.000 0.462 77 N N -0.182 118.580 118.700 0.103 0.000 2.268 77 N HA -0.016 4.792 4.740 0.114 0.000 0.204 77 N C 0.037 175.600 175.510 0.088 0.000 1.124 77 N CA -0.261 52.834 53.050 0.076 0.000 0.838 77 N CB 0.072 38.586 38.487 0.046 0.000 0.994 77 N HN 0.110 nan 8.380 nan 0.000 0.489 78 F N 4.211 124.178 119.950 0.029 0.000 2.608 78 F HA 0.078 4.672 4.527 0.112 0.000 0.380 78 F C -1.528 174.271 175.800 -0.001 0.000 1.083 78 F CA -1.690 56.325 58.000 0.025 0.000 1.266 78 F CB 0.695 39.729 39.000 0.057 0.000 1.076 78 F HN -0.011 nan 8.300 nan 0.000 0.574 79 P HA 0.130 nan 4.420 nan 0.000 0.244 79 P C -0.961 176.154 177.300 -0.308 0.000 1.769 79 P CA -0.104 62.758 63.100 -0.397 0.000 1.102 79 P CB -0.209 31.226 31.700 -0.442 0.000 1.937 80 A N 3.009 125.824 122.820 -0.008 0.000 2.548 80 A HA 0.217 4.605 4.320 0.114 0.000 0.247 80 A C 1.493 179.145 177.584 0.115 0.000 1.067 80 A CA 0.356 52.436 52.037 0.071 0.000 0.757 80 A CB -0.197 19.039 19.000 0.393 0.000 0.996 80 A HN 0.515 nan 8.150 nan 0.000 0.504 81 T N -0.667 113.808 114.554 -0.132 0.000 3.022 81 T HA 0.356 4.774 4.350 0.114 0.000 0.250 81 T C 0.593 175.204 174.700 -0.148 0.000 1.060 81 T CA 0.563 62.675 62.100 0.019 0.000 1.013 81 T CB -0.427 68.427 68.868 -0.022 0.000 0.982 81 T HN 1.511 nan 8.240 nan 0.000 0.508 82 S N -0.278 115.232 115.700 -0.315 0.000 2.611 82 S HA 0.494 5.032 4.470 0.114 0.000 0.268 82 S C -2.891 171.441 174.600 -0.447 0.000 1.156 82 S CA -1.167 56.607 58.200 -0.711 0.000 0.817 82 S CB 1.303 64.411 63.200 -0.153 0.000 1.122 82 S HN -0.174 nan 8.310 nan 0.000 0.466 83 P HA -0.056 nan 4.420 nan 0.000 0.217 83 P C 1.276 178.634 177.300 0.097 0.000 1.148 83 P CA 0.963 64.073 63.100 0.017 0.000 0.828 83 P CB -0.181 31.544 31.700 0.041 0.000 0.783 84 F N -0.332 119.592 119.950 -0.043 0.000 2.111 84 F HA -0.263 4.332 4.527 0.113 0.000 0.300 84 F C 1.768 177.466 175.800 -0.171 0.000 1.088 84 F CA 1.652 59.579 58.000 -0.123 0.000 1.243 84 F CB -0.970 37.913 39.000 -0.195 0.000 0.996 84 F HN -0.171 nan 8.300 nan 0.000 0.483 85 F N 0.771 120.728 119.950 0.012 0.000 2.407 85 F HA -0.074 4.513 4.527 0.101 0.000 0.299 85 F C 2.236 178.007 175.800 -0.049 0.000 1.097 85 F CA 1.353 59.332 58.000 -0.035 0.000 1.422 85 F CB -0.631 38.485 39.000 0.193 0.000 1.067 85 F HN 0.068 nan 8.300 nan 0.000 0.539 86 E N 0.240 120.524 120.200 0.140 0.000 2.072 86 E HA -0.179 4.239 4.350 0.114 0.000 0.191 86 E C 2.452 179.028 176.600 -0.041 0.000 0.985 86 E CA 1.025 57.476 56.400 0.085 0.000 0.801 86 E CB -0.337 29.436 29.700 0.122 0.000 0.750 86 E HN 0.378 nan 8.360 nan 0.000 0.452 87 A N 1.177 123.912 122.820 -0.141 0.000 1.877 87 A HA -0.147 4.241 4.320 0.114 0.000 0.216 87 A C 2.556 179.957 177.584 -0.306 0.000 1.186 87 A CA 1.217 53.122 52.037 -0.219 0.000 0.620 87 A CB -0.831 18.009 19.000 -0.267 0.000 0.822 87 A HN 0.111 nan 8.150 nan 0.000 0.443 88 V N 0.301 119.910 119.914 -0.509 0.000 2.252 88 V HA -0.334 3.854 4.120 0.114 0.000 0.249 88 V C 2.683 178.632 176.094 -0.242 0.000 1.056 88 V CA 2.537 64.552 62.300 -0.476 0.000 1.022 88 V CB -0.852 30.581 31.823 -0.650 0.000 0.641 88 V HN 0.696 nan 8.190 nan 0.000 0.445 89 R N 0.688 121.103 120.500 -0.141 0.000 2.105 89 R HA -0.217 4.191 4.340 0.114 0.000 0.239 89 R C 1.967 178.231 176.300 -0.059 0.000 1.135 89 R CA 1.994 58.056 56.100 -0.064 0.000 0.967 89 R CB -0.109 30.203 30.300 0.021 0.000 0.861 89 R HN 0.834 nan 8.270 nan 0.000 0.442 90 E N -0.470 119.689 120.200 -0.068 0.000 2.499 90 E HA 0.162 4.580 4.350 0.114 0.000 0.199 90 E C -0.772 175.790 176.600 -0.064 0.000 1.016 90 E CA -0.388 55.982 56.400 -0.050 0.000 0.933 90 E CB 0.779 30.461 29.700 -0.031 0.000 1.050 90 E HN -0.015 nan 8.360 nan 0.000 0.462 91 S N 1.703 117.347 115.700 -0.093 0.000 2.568 91 S HA 0.479 5.017 4.470 0.114 0.000 0.302 91 S C -2.468 172.084 174.600 -0.079 0.000 1.082 91 S CA -1.378 56.767 58.200 -0.092 0.000 1.009 91 S CB 1.467 64.586 63.200 -0.136 0.000 1.069 91 S HN 0.094 nan 8.310 nan 0.000 0.500 92 P HA 0.100 nan 4.420 nan 0.000 0.267 92 P C -0.882 176.386 177.300 -0.053 0.000 1.201 92 P CA -0.057 63.019 63.100 -0.040 0.000 0.775 92 P CB 0.325 32.011 31.700 -0.023 0.000 0.854 93 Q N 0.594 120.374 119.800 -0.034 0.000 2.316 93 Q HA 0.624 5.032 4.340 0.114 0.000 0.264 93 Q C -0.382 175.612 176.000 -0.010 0.000 0.987 93 Q CA -0.855 54.925 55.803 -0.038 0.000 0.852 93 Q CB 2.313 31.035 28.738 -0.027 0.000 1.287 93 Q HN 0.510 nan 8.270 nan 0.000 0.448 94 A N 1.489 124.283 122.820 -0.044 0.000 2.259 94 A HA 0.322 4.710 4.320 0.114 0.000 0.278 94 A C 0.517 178.096 177.584 -0.008 0.000 1.107 94 A CA -0.349 51.653 52.037 -0.059 0.000 0.828 94 A CB -0.044 18.837 19.000 -0.198 0.000 1.111 94 A HN 0.858 nan 8.150 nan 0.000 0.498 95 F N -0.865 119.136 119.950 0.084 0.000 2.408 95 F HA -0.080 4.499 4.527 0.087 0.000 0.300 95 F C 1.427 177.426 175.800 0.332 0.000 1.090 95 F CA 1.090 59.183 58.000 0.156 0.000 1.427 95 F CB -0.774 38.250 39.000 0.039 0.000 1.070 95 F HN 0.407 nan 8.300 nan 0.000 0.549 96 I N 1.136 121.731 120.570 0.041 0.000 2.315 96 I HA -0.174 4.064 4.170 0.114 0.000 0.251 96 I C 2.226 178.400 176.117 0.095 0.000 1.125 96 I CA 1.739 63.131 61.300 0.154 0.000 1.392 96 I CB -0.554 37.419 38.000 -0.044 0.000 1.065 96 I HN 0.343 nan 8.210 nan 0.000 0.424 97 G N 0.546 109.392 108.800 0.076 0.000 3.189 97 G HA2 0.274 4.302 3.960 0.114 0.000 0.225 97 G HA3 0.274 4.302 3.960 0.114 0.000 0.225 97 G C 0.401 175.366 174.900 0.108 0.000 1.159 97 G CA -0.359 44.749 45.100 0.013 0.000 0.763 97 G HN 0.200 nan 8.290 nan 0.000 0.549 98 L N 0.354 121.740 121.223 0.272 0.000 2.352 98 L HA 0.528 4.936 4.340 0.114 0.000 0.269 98 L C -0.683 176.385 176.870 0.329 0.000 1.034 98 L CA -1.072 53.938 54.840 0.284 0.000 0.806 98 L CB 1.677 43.927 42.059 0.318 0.000 1.244 98 L HN -0.070 nan 8.230 nan 0.000 0.447 99 D N 0.415 120.950 120.400 0.226 0.000 2.299 99 D HA 0.401 5.109 4.640 0.114 0.000 0.243 99 D C -2.495 173.898 176.300 0.155 0.000 0.982 99 D CA -1.466 52.640 54.000 0.177 0.000 0.924 99 D CB 1.626 42.501 40.800 0.126 0.000 1.238 99 D HN 0.132 nan 8.370 nan 0.000 0.484 100 P HA 0.074 nan 4.420 nan 0.000 0.266 100 P C -1.671 175.668 177.300 0.066 0.000 1.195 100 P CA -0.664 62.488 63.100 0.086 0.000 0.768 100 P CB 0.164 31.894 31.700 0.050 0.000 0.838 101 P HA 0.035 nan 4.420 nan 0.000 0.245 101 P C 0.742 178.066 177.300 0.040 0.000 1.203 101 P CA 0.713 63.837 63.100 0.039 0.000 0.792 101 P CB 0.408 32.120 31.700 0.020 0.000 0.997 102 E N -0.303 119.934 120.200 0.061 0.000 2.085 102 E HA -0.229 4.189 4.350 0.114 0.000 0.194 102 E C 2.154 178.792 176.600 0.063 0.000 0.994 102 E CA 1.084 57.519 56.400 0.059 0.000 0.801 102 E CB -1.209 28.539 29.700 0.080 0.000 0.743 102 E HN 0.476 nan 8.360 nan 0.000 0.453 103 H N 0.027 119.111 119.070 0.024 0.000 2.289 103 H HA -0.126 4.489 4.556 0.098 0.000 0.296 103 H C 2.075 177.335 175.328 -0.114 0.000 1.091 103 H CA 1.919 57.975 56.048 0.012 0.000 1.274 103 H CB -0.411 29.342 29.762 -0.016 0.000 1.364 103 H HN 0.272 nan 8.280 nan 0.000 0.490 104 G N -0.295 108.365 108.800 -0.233 0.000 2.418 104 G HA2 -0.309 3.719 3.960 0.114 0.000 0.217 104 G HA3 -0.309 3.719 3.960 0.114 0.000 0.217 104 G C 1.962 176.691 174.900 -0.283 0.000 1.158 104 G CA 1.833 46.754 45.100 -0.300 0.000 0.771 104 G HN 0.643 nan 8.290 nan 0.000 0.545 105 T N -0.872 113.578 114.554 -0.173 0.000 2.833 105 T HA -0.030 4.388 4.350 0.114 0.000 0.269 105 T C 2.415 177.013 174.700 -0.170 0.000 1.054 105 T CA 1.291 63.312 62.100 -0.133 0.000 1.135 105 T CB -0.102 68.727 68.868 -0.065 0.000 0.869 105 T HN 0.225 nan 8.240 nan 0.000 0.466 106 R N 0.611 120.980 120.500 -0.220 0.000 2.066 106 R HA 0.339 4.747 4.340 0.114 0.000 0.224 106 R C 2.776 178.728 176.300 -0.581 0.000 1.122 106 R CA 1.058 57.021 56.100 -0.229 0.000 0.974 106 R CB -0.491 29.798 30.300 -0.019 0.000 0.871 106 R HN 0.425 nan 8.270 nan 0.000 0.435 107 R N 0.789 120.640 120.500 -1.082 0.000 2.091 107 R HA -0.093 4.315 4.340 0.114 0.000 0.238 107 R C 1.847 177.754 176.300 -0.656 0.000 1.136 107 R CA 1.621 56.851 56.100 -1.449 0.000 0.959 107 R CB -0.071 29.379 30.300 -1.417 0.000 0.856 107 R HN 0.088 nan 8.270 nan 0.000 0.437 108 R N -0.100 120.142 120.500 -0.430 0.000 2.241 108 R HA -0.082 4.326 4.340 0.114 0.000 0.224 108 R C 2.153 178.361 176.300 -0.155 0.000 1.101 108 R CA 1.504 57.464 56.100 -0.234 0.000 0.995 108 R CB -0.169 30.026 30.300 -0.175 0.000 0.870 108 R HN 0.378 nan 8.270 nan 0.000 0.463 109 M N -0.439 119.064 119.600 -0.161 0.000 2.460 109 M HA -0.079 4.469 4.480 0.114 0.000 0.263 109 M C 1.823 178.113 176.300 -0.017 0.000 1.071 109 M CA 1.583 56.841 55.300 -0.071 0.000 1.096 109 M CB -0.004 32.569 32.600 -0.044 0.000 1.408 109 M HN 0.177 nan 8.290 nan 0.000 0.463 110 T N -2.530 112.010 114.554 -0.023 0.000 2.971 110 T HA 0.164 4.582 4.350 0.114 0.000 0.252 110 T C 1.486 176.308 174.700 0.204 0.000 1.022 110 T CA -0.218 61.958 62.100 0.126 0.000 0.980 110 T CB -0.537 68.472 68.868 0.236 0.000 1.044 110 T HN 0.502 nan 8.240 nan 0.000 0.501 111 I N 1.762 122.379 120.570 0.079 0.000 2.361 111 I HA -0.063 4.175 4.170 0.114 0.000 0.251 111 I C 2.537 178.736 176.117 0.137 0.000 1.133 111 I CA 1.344 62.716 61.300 0.119 0.000 1.413 111 I CB -0.973 37.025 38.000 -0.004 0.000 1.073 111 I HN 0.306 nan 8.210 nan 0.000 0.424 112 S N 1.170 116.905 115.700 0.059 0.000 2.419 112 S HA -0.163 4.375 4.470 0.114 0.000 0.235 112 S C 1.721 176.301 174.600 -0.034 0.000 1.019 112 S CA 1.257 59.462 58.200 0.008 0.000 0.982 112 S CB -0.559 62.632 63.200 -0.015 0.000 0.789 112 S HN 0.582 nan 8.310 nan 0.000 0.490 113 E N 0.174 120.332 120.200 -0.071 0.000 2.435 113 E HA 0.136 4.555 4.350 0.114 0.000 0.195 113 E C 0.271 176.534 176.600 -0.561 0.000 1.029 113 E CA 0.445 56.639 56.400 -0.344 0.000 0.865 113 E CB -0.167 29.218 29.700 -0.526 0.000 0.833 113 E HN 0.762 nan 8.360 nan 0.000 0.510 114 F N 0.548 120.491 119.950 -0.011 0.000 2.729 114 F HA 0.068 4.666 4.527 0.119 0.000 0.315 114 F C 1.004 176.788 175.800 -0.027 0.000 1.102 114 F CA -0.428 57.563 58.000 -0.015 0.000 1.204 114 F CB 0.201 39.196 39.000 -0.008 0.000 1.052 114 F HN -0.242 nan 8.300 nan 0.000 0.551 115 T N -1.407 113.196 114.554 0.081 0.000 2.855 115 T HA 0.128 4.546 4.350 0.114 0.000 0.314 115 T C 1.724 176.438 174.700 0.024 0.000 1.077 115 T CA -0.009 62.116 62.100 0.041 0.000 1.095 115 T CB 1.338 70.212 68.868 0.010 0.000 0.987 115 T HN 0.124 nan 8.240 nan 0.000 0.546 116 V N 0.608 120.531 119.914 0.015 0.000 2.324 116 V HA -0.204 3.984 4.120 0.114 0.000 0.250 116 V C 2.593 178.687 176.094 0.001 0.000 1.060 116 V CA 2.081 64.386 62.300 0.008 0.000 1.042 116 V CB -1.345 30.480 31.823 0.004 0.000 0.650 116 V HN 1.033 nan 8.190 nan 0.000 0.450 117 K N 0.377 120.775 120.400 -0.005 0.000 2.063 117 K HA -0.250 4.138 4.320 0.114 0.000 0.208 117 K C 2.445 179.034 176.600 -0.018 0.000 1.048 117 K CA 1.952 58.233 56.287 -0.011 0.000 0.928 117 K CB -0.237 32.255 32.500 -0.013 0.000 0.713 117 K HN 0.399 nan 8.250 nan 0.000 0.442 118 R N 0.547 121.032 120.500 -0.026 0.000 2.075 118 R HA -0.006 4.403 4.340 0.114 0.000 0.232 118 R C 2.100 178.373 176.300 -0.045 0.000 1.126 118 R CA 1.221 57.293 56.100 -0.047 0.000 0.963 118 R CB -0.269 29.985 30.300 -0.076 0.000 0.858 118 R HN 0.242 nan 8.270 nan 0.000 0.435 119 I N 1.254 121.809 120.570 -0.025 0.000 2.179 119 I HA -0.252 3.986 4.170 0.114 0.000 0.242 119 I C 2.226 178.340 176.117 -0.006 0.000 1.088 119 I CA 1.358 62.652 61.300 -0.010 0.000 1.357 119 I CB -1.226 36.785 38.000 0.018 0.000 1.051 119 I HN 0.292 nan 8.210 nan 0.000 0.409 120 K N 1.152 121.550 120.400 -0.003 0.000 2.032 120 K HA -0.228 4.160 4.320 0.114 0.000 0.218 120 K C 1.916 178.512 176.600 -0.006 0.000 1.054 120 K CA 2.212 58.498 56.287 -0.002 0.000 0.941 120 K CB -0.605 31.894 32.500 -0.003 0.000 0.720 120 K HN 0.406 nan 8.250 nan 0.000 0.449 121 G N 0.229 109.021 108.800 -0.015 0.000 2.776 121 G HA2 -0.114 3.914 3.960 0.114 0.000 0.209 121 G HA3 -0.114 3.914 3.960 0.114 0.000 0.209 121 G C 1.156 176.044 174.900 -0.021 0.000 1.145 121 G CA 0.152 45.241 45.100 -0.018 0.000 0.791 121 G HN 0.303 nan 8.290 nan 0.000 0.530 122 M N -0.670 118.918 119.600 -0.021 0.000 2.509 122 M HA 0.184 4.733 4.480 0.114 0.000 0.250 122 M C 2.375 178.672 176.300 -0.005 0.000 1.132 122 M CA 0.030 55.318 55.300 -0.021 0.000 1.080 122 M CB 0.113 32.695 32.600 -0.030 0.000 1.408 122 M HN 0.216 nan 8.290 nan 0.000 0.484 123 R N 1.539 122.040 120.500 0.002 0.000 2.080 123 R HA -0.150 4.258 4.340 0.114 0.000 0.236 123 R C -0.989 175.323 176.300 0.020 0.000 1.137 123 R CA 1.896 58.005 56.100 0.015 0.000 0.943 123 R CB -1.359 28.951 30.300 0.016 0.000 0.846 123 R HN 0.137 nan 8.270 nan 0.000 0.431 124 P HA -0.206 nan 4.420 nan 0.000 0.216 124 P C 0.804 178.112 177.300 0.013 0.000 1.153 124 P CA 1.562 64.667 63.100 0.009 0.000 0.858 124 P CB -0.174 31.524 31.700 -0.002 0.000 0.789 125 E N -0.218 119.985 120.200 0.004 0.000 2.077 125 E HA -0.140 4.278 4.350 0.114 0.000 0.193 125 E C 1.762 178.369 176.600 0.012 0.000 0.989 125 E CA 1.245 57.645 56.400 0.000 0.000 0.800 125 E CB -0.349 29.344 29.700 -0.012 0.000 0.746 125 E HN -0.022 nan 8.360 nan 0.000 0.452 126 V N 1.575 121.500 119.914 0.017 0.000 2.358 126 V HA -0.233 3.955 4.120 0.114 0.000 0.246 126 V C 2.151 178.282 176.094 0.061 0.000 1.047 126 V CA 2.168 64.483 62.300 0.025 0.000 1.035 126 V CB -0.553 31.281 31.823 0.019 0.000 0.658 126 V HN 0.291 nan 8.190 nan 0.000 0.452 127 E N -0.059 120.195 120.200 0.090 0.000 2.085 127 E HA -0.289 4.130 4.350 0.114 0.000 0.194 127 E C 2.269 179.004 176.600 0.225 0.000 0.994 127 E CA 1.507 58.021 56.400 0.190 0.000 0.801 127 E CB -0.171 29.627 29.700 0.164 0.000 0.743 127 E HN 0.699 nan 8.360 nan 0.000 0.453 128 E N 0.852 121.116 120.200 0.106 0.000 2.051 128 E HA -0.185 4.234 4.350 0.114 0.000 0.192 128 E C 2.190 178.825 176.600 0.057 0.000 0.991 128 E CA 1.245 57.685 56.400 0.068 0.000 0.799 128 E CB 0.152 29.859 29.700 0.011 0.000 0.748 128 E HN 0.059 nan 8.360 nan 0.000 0.449 129 V N 0.718 120.659 119.914 0.045 0.000 2.295 129 V HA -0.247 3.941 4.120 0.114 0.000 0.246 129 V C 2.507 178.700 176.094 0.166 0.000 1.049 129 V CA 1.473 63.806 62.300 0.055 0.000 1.024 129 V CB -0.376 31.483 31.823 0.061 0.000 0.648 129 V HN 0.199 nan 8.190 nan 0.000 0.447 130 V N -0.385 119.614 119.914 0.142 0.000 2.255 130 V HA -0.282 3.906 4.120 0.114 0.000 0.247 130 V C 2.418 178.602 176.094 0.151 0.000 1.051 130 V CA 2.193 64.591 62.300 0.163 0.000 1.018 130 V CB -0.878 30.971 31.823 0.044 0.000 0.641 130 V HN 0.620 nan 8.190 nan 0.000 0.445 131 H N -0.023 119.121 119.070 0.122 0.000 2.423 131 H HA -0.063 4.561 4.556 0.114 0.000 0.297 131 H C 2.361 177.700 175.328 0.019 0.000 1.075 131 H CA 1.416 57.499 56.048 0.058 0.000 1.342 131 H CB -0.499 29.272 29.762 0.015 0.000 1.395 131 H HN 0.506 nan 8.280 nan 0.000 0.530 132 G N 0.737 109.581 108.800 0.073 0.000 2.491 132 G HA2 -0.256 3.772 3.960 0.114 0.000 0.218 132 G HA3 -0.256 3.772 3.960 0.114 0.000 0.218 132 G C 1.326 176.142 174.900 -0.140 0.000 1.180 132 G CA 0.683 45.719 45.100 -0.107 0.000 0.774 132 G HN 0.241 nan 8.290 nan 0.000 0.562 133 F N 0.489 120.485 119.950 0.077 0.000 2.293 133 F HA 0.182 4.777 4.527 0.114 0.000 0.300 133 F C 2.540 178.409 175.800 0.116 0.000 1.086 133 F CA 0.362 58.435 58.000 0.122 0.000 1.375 133 F CB -0.212 38.889 39.000 0.169 0.000 1.045 133 F HN 0.032 nan 8.300 nan 0.000 0.516 134 L N -0.477 120.869 121.223 0.205 0.000 2.005 134 L HA -0.214 4.195 4.340 0.114 0.000 0.207 134 L C 2.174 179.005 176.870 -0.065 0.000 1.072 134 L CA 1.177 55.979 54.840 -0.064 0.000 0.744 134 L CB -0.633 41.315 42.059 -0.185 0.000 0.895 134 L HN 0.004 nan 8.230 nan 0.000 0.433 135 D N -0.030 120.363 120.400 -0.012 0.000 2.160 135 D HA -0.306 4.402 4.640 0.114 0.000 0.189 135 D C 1.943 178.242 176.300 -0.001 0.000 1.003 135 D CA 1.826 55.819 54.000 -0.013 0.000 0.846 135 D CB -0.150 40.646 40.800 -0.008 0.000 0.949 135 D HN 0.383 nan 8.370 nan 0.000 0.446 136 E N -0.259 119.956 120.200 0.024 0.000 2.028 136 E HA -0.157 4.261 4.350 0.114 0.000 0.191 136 E C 2.198 178.851 176.600 0.089 0.000 0.988 136 E CA 0.643 57.078 56.400 0.058 0.000 0.799 136 E CB -0.141 29.605 29.700 0.076 0.000 0.755 136 E HN 0.190 nan 8.360 nan 0.000 0.447 137 M N 0.514 120.171 119.600 0.095 0.000 2.080 137 M HA -0.207 4.341 4.480 0.114 0.000 0.260 137 M C 2.137 178.498 176.300 0.102 0.000 1.068 137 M CA 1.515 56.876 55.300 0.102 0.000 1.109 137 M CB -0.067 32.550 32.600 0.029 0.000 1.342 137 M HN 0.214 nan 8.290 nan 0.000 0.405 138 L N -0.276 120.902 121.223 -0.074 0.000 2.083 138 L HA -0.148 4.260 4.340 0.114 0.000 0.209 138 L C 2.630 179.585 176.870 0.142 0.000 1.083 138 L CA 1.125 55.921 54.840 -0.072 0.000 0.752 138 L CB -0.921 40.982 42.059 -0.260 0.000 0.899 138 L HN 0.398 nan 8.230 nan 0.000 0.433 139 A N -0.273 122.601 122.820 0.090 0.000 2.016 139 A HA 0.062 4.450 4.320 0.114 0.000 0.217 139 A C 2.464 180.119 177.584 0.118 0.000 1.162 139 A CA 1.220 53.314 52.037 0.096 0.000 0.662 139 A CB -0.352 18.682 19.000 0.058 0.000 0.812 139 A HN 0.366 nan 8.150 nan 0.000 0.450 140 A N -0.968 121.938 122.820 0.144 0.000 1.930 140 A HA 0.466 4.854 4.320 0.114 0.000 0.215 140 A C 1.282 178.939 177.584 0.123 0.000 1.176 140 A CA 1.478 53.593 52.037 0.129 0.000 0.632 140 A CB -0.421 18.662 19.000 0.139 0.000 0.819 140 A HN 1.230 nan 8.150 nan 0.000 0.445 141 G N -2.663 106.235 108.800 0.163 0.000 2.559 141 G HA2 0.465 4.493 3.960 0.114 0.000 0.291 141 G HA3 0.465 4.493 3.960 0.114 0.000 0.291 141 G C -2.703 172.211 174.900 0.024 0.000 1.424 141 G CA 0.110 45.255 45.100 0.076 0.000 0.786 141 G HN -0.129 nan 8.290 nan 0.000 0.485 142 P HA 0.156 nan 4.420 nan 0.000 0.245 142 P C 0.625 177.234 177.300 -1.152 0.000 1.203 142 P CA 0.682 63.383 63.100 -0.665 0.000 0.792 142 P CB 0.574 32.059 31.700 -0.359 0.000 0.997 143 T N -2.519 111.667 114.554 -0.613 0.000 2.916 143 T HA 0.823 5.241 4.350 0.114 0.000 0.292 143 T C -0.811 173.795 174.700 -0.157 0.000 1.064 143 T CA -0.869 60.945 62.100 -0.477 0.000 1.011 143 T CB 2.404 71.151 68.868 -0.202 0.000 1.152 143 T HN 0.120 nan 8.240 nan 0.000 0.510 144 A N 0.805 123.638 122.820 0.022 0.000 2.606 144 A HA 0.654 5.042 4.320 0.114 0.000 0.293 144 A C -1.550 176.114 177.584 0.133 0.000 1.082 144 A CA -0.853 51.284 52.037 0.167 0.000 0.685 144 A CB 1.677 20.897 19.000 0.367 0.000 1.284 144 A HN 0.886 nan 8.150 nan 0.000 0.408 145 D N 1.236 121.705 120.400 0.115 0.000 2.339 145 D HA 0.286 4.994 4.640 0.114 0.000 0.241 145 D C 0.844 177.221 176.300 0.129 0.000 1.183 145 D CA -0.341 53.719 54.000 0.100 0.000 0.859 145 D CB 0.875 41.718 40.800 0.072 0.000 1.067 145 D HN 0.358 nan 8.370 nan 0.000 0.484 146 L N 4.598 125.904 121.223 0.140 0.000 2.127 146 L HA -0.139 4.269 4.340 0.114 0.000 0.211 146 L C 1.803 178.766 176.870 0.154 0.000 1.089 146 L CA 1.331 56.272 54.840 0.169 0.000 0.757 146 L CB -0.062 42.094 42.059 0.160 0.000 0.899 146 L HN 0.436 nan 8.230 nan 0.000 0.434 147 V N -0.665 119.306 119.914 0.095 0.000 2.216 147 V HA -0.301 3.888 4.120 0.114 0.000 0.243 147 V C 2.616 178.730 176.094 0.032 0.000 1.044 147 V CA 2.030 64.362 62.300 0.052 0.000 0.995 147 V CB -1.206 30.635 31.823 0.031 0.000 0.633 147 V HN 0.722 nan 8.190 nan 0.000 0.446 148 S N -0.243 115.481 115.700 0.040 0.000 2.423 148 S HA -0.237 4.301 4.470 0.114 0.000 0.231 148 S C 1.781 176.404 174.600 0.039 0.000 1.014 148 S CA 1.466 59.684 58.200 0.031 0.000 0.965 148 S CB -0.429 62.796 63.200 0.041 0.000 0.785 148 S HN 0.719 nan 8.310 nan 0.000 0.495 149 Q N -1.327 118.526 119.800 0.089 0.000 2.408 149 Q HA 0.333 4.741 4.340 0.114 0.000 0.205 149 Q C 1.057 177.162 176.000 0.174 0.000 0.919 149 Q CA 0.578 56.463 55.803 0.137 0.000 0.932 149 Q CB 0.192 29.036 28.738 0.177 0.000 1.058 149 Q HN 0.694 nan 8.270 nan 0.000 0.517 150 F N -1.279 118.620 119.950 -0.085 0.000 1.890 150 F HA 0.320 4.916 4.527 0.115 0.000 0.261 150 F C 1.545 177.247 175.800 -0.163 0.000 1.066 150 F CA 0.638 58.563 58.000 -0.126 0.000 1.235 150 F CB -0.499 38.475 39.000 -0.043 0.000 1.548 150 F HN -0.146 nan 8.300 nan 0.000 0.593 151 A N 0.941 123.680 122.820 -0.135 0.000 1.883 151 A HA -0.127 4.261 4.320 0.114 0.000 0.217 151 A C 1.973 179.396 177.584 -0.268 0.000 1.186 151 A CA 2.261 54.161 52.037 -0.230 0.000 0.624 151 A CB -1.072 17.907 19.000 -0.036 0.000 0.822 151 A HN 0.485 nan 8.150 nan 0.000 0.444 152 L N -0.034 121.074 121.223 -0.193 0.000 2.102 152 L HA 0.051 4.459 4.340 0.114 0.000 0.202 152 L C -0.788 175.928 176.870 -0.257 0.000 1.076 152 L CA 1.418 56.166 54.840 -0.153 0.000 0.761 152 L CB -0.647 41.386 42.059 -0.044 0.000 0.921 152 L HN 0.174 nan 8.230 nan 0.000 0.444 153 P HA -0.141 nan 4.420 nan 0.000 0.216 153 P C 1.981 178.843 177.300 -0.731 0.000 1.150 153 P CA 1.408 64.135 63.100 -0.622 0.000 0.837 153 P CB -0.053 30.942 31.700 -1.175 0.000 0.786 154 V N 2.351 121.813 119.914 -0.754 0.000 2.220 154 V HA -0.145 4.044 4.120 0.114 0.000 0.246 154 V C -0.094 175.834 176.094 -0.277 0.000 1.049 154 V CA 3.174 65.200 62.300 -0.457 0.000 1.003 154 V CB -2.537 28.980 31.823 -0.509 0.000 0.634 154 V HN 0.201 nan 8.190 nan 0.000 0.444 155 P HA -0.092 nan 4.420 nan 0.000 0.223 155 P C 1.916 179.068 177.300 -0.248 0.000 1.151 155 P CA 1.603 64.590 63.100 -0.189 0.000 0.787 155 P CB 0.045 31.656 31.700 -0.148 0.000 0.788 156 S N -0.382 115.106 115.700 -0.353 0.000 2.348 156 S HA -0.160 4.378 4.470 0.114 0.000 0.221 156 S C 2.043 176.626 174.600 -0.029 0.000 1.033 156 S CA 1.333 59.257 58.200 -0.460 0.000 1.010 156 S CB -0.862 62.242 63.200 -0.160 0.000 0.891 156 S HN 0.033 nan 8.310 nan 0.000 0.442 157 M N 0.720 120.273 119.600 -0.078 0.000 2.132 157 M HA -0.069 4.479 4.480 0.114 0.000 0.263 157 M C 1.854 178.114 176.300 -0.067 0.000 1.065 157 M CA 1.496 56.674 55.300 -0.204 0.000 1.122 157 M CB -0.217 32.127 32.600 -0.427 0.000 1.365 157 M HN 0.270 nan 8.290 nan 0.000 0.411 158 V N 0.446 120.319 119.914 -0.069 0.000 2.295 158 V HA -0.269 3.919 4.120 0.114 0.000 0.246 158 V C 2.279 178.369 176.094 -0.007 0.000 1.049 158 V CA 1.863 64.141 62.300 -0.037 0.000 1.024 158 V CB -0.728 31.071 31.823 -0.039 0.000 0.648 158 V HN 0.549 nan 8.190 nan 0.000 0.447 159 I N -0.579 119.991 120.570 -0.001 0.000 2.394 159 I HA -0.191 4.047 4.170 0.114 0.000 0.251 159 I C 2.346 178.506 176.117 0.071 0.000 1.136 159 I CA 1.323 62.652 61.300 0.049 0.000 1.425 159 I CB -0.409 37.640 38.000 0.083 0.000 1.079 159 I HN 0.317 nan 8.210 nan 0.000 0.425 160 C N 0.498 119.859 119.300 0.102 0.000 2.413 160 C HA -0.124 4.404 4.460 0.114 0.000 0.276 160 C C 2.796 177.862 174.990 0.126 0.000 1.248 160 C CA 0.620 59.728 59.018 0.150 0.000 1.742 160 C CB -1.247 26.698 27.740 0.341 0.000 2.017 160 C HN 0.436 nan 8.230 nan 0.000 0.481 161 R N 0.394 120.948 120.500 0.091 0.000 2.092 161 R HA -0.025 4.383 4.340 0.114 0.000 0.231 161 R C 2.119 178.432 176.300 0.022 0.000 1.119 161 R CA 0.935 57.069 56.100 0.057 0.000 0.970 161 R CB -1.187 29.127 30.300 0.024 0.000 0.864 161 R HN 0.602 nan 8.270 nan 0.000 0.440 162 L N 0.594 121.815 121.223 -0.004 0.000 2.046 162 L HA -0.113 4.295 4.340 0.114 0.000 0.208 162 L C 2.005 178.866 176.870 -0.014 0.000 1.077 162 L CA 1.336 56.142 54.840 -0.056 0.000 0.747 162 L CB -0.104 41.883 42.059 -0.120 0.000 0.896 162 L HN 0.103 nan 8.230 nan 0.000 0.432 163 L N -0.680 120.570 121.223 0.044 0.000 2.341 163 L HA 0.151 4.559 4.340 0.114 0.000 0.214 163 L C 1.514 178.456 176.870 0.121 0.000 1.115 163 L CA 0.654 55.544 54.840 0.083 0.000 0.820 163 L CB -0.404 41.713 42.059 0.096 0.000 0.944 163 L HN 0.537 nan 8.230 nan 0.000 0.452 164 G N 0.318 109.194 108.800 0.128 0.000 2.132 164 G HA2 -0.225 3.803 3.960 0.114 0.000 0.228 164 G HA3 -0.225 3.803 3.960 0.114 0.000 0.228 164 G C 0.066 175.133 174.900 0.278 0.000 1.000 164 G CA -0.047 45.175 45.100 0.203 0.000 0.693 164 G HN 0.085 nan 8.290 nan 0.000 0.515 165 V N 2.032 122.060 119.914 0.191 0.000 2.461 165 V HA 0.407 4.595 4.120 0.114 0.000 0.275 165 V C -1.462 174.795 176.094 0.271 0.000 1.047 165 V CA -1.437 60.967 62.300 0.174 0.000 0.955 165 V CB 1.385 33.220 31.823 0.020 0.000 0.988 165 V HN 0.179 nan 8.190 nan 0.000 0.471 166 P HA 0.039 nan 4.420 nan 0.000 0.271 166 P C 0.123 177.731 177.300 0.514 0.000 1.233 166 P CA 0.044 63.363 63.100 0.366 0.000 0.764 166 P CB 0.284 32.163 31.700 0.299 0.000 0.825 167 Y N 4.507 125.029 120.300 0.370 0.000 2.333 167 Y HA -0.192 4.426 4.550 0.113 0.000 0.290 167 Y C 2.282 178.438 175.900 0.427 0.000 1.144 167 Y CA 1.737 60.098 58.100 0.435 0.000 1.228 167 Y CB -0.677 37.953 38.460 0.283 0.000 0.985 167 Y HN 0.458 nan 8.280 nan 0.000 0.542 168 A N -0.286 122.717 122.820 0.304 0.000 2.032 168 A HA -0.218 4.171 4.320 0.114 0.000 0.221 168 A C 1.580 179.165 177.584 0.001 0.000 1.165 168 A CA 2.076 54.211 52.037 0.163 0.000 0.645 168 A CB -0.569 18.524 19.000 0.156 0.000 0.807 168 A HN 0.501 nan 8.150 nan 0.000 0.453 169 D N -1.185 119.252 120.400 0.062 0.000 2.325 169 D HA -0.004 4.704 4.640 0.114 0.000 0.225 169 D C 1.396 177.307 176.300 -0.649 0.000 1.096 169 D CA 0.439 54.388 54.000 -0.084 0.000 0.844 169 D CB -0.387 40.549 40.800 0.226 0.000 0.925 169 D HN 0.847 nan 8.370 nan 0.000 0.513 170 H N 0.285 118.804 119.070 -0.919 0.000 2.421 170 H HA 0.007 4.630 4.556 0.113 0.000 0.298 170 H C 1.231 175.968 175.328 -0.984 0.000 1.087 170 H CA 0.833 55.956 56.048 -1.541 0.000 1.330 170 H CB 0.058 29.018 29.762 -1.337 0.000 1.388 170 H HN 0.178 nan 8.280 nan 0.000 0.526 171 E N 0.385 119.978 120.200 -1.011 0.000 2.051 171 E HA -0.152 4.266 4.350 0.114 0.000 0.192 171 E C 2.059 178.415 176.600 -0.405 0.000 0.991 171 E CA 1.244 57.315 56.400 -0.548 0.000 0.799 171 E CB -0.280 29.160 29.700 -0.432 0.000 0.748 171 E HN 0.418 nan 8.360 nan 0.000 0.449 172 F N 1.877 121.516 119.950 -0.518 0.000 2.046 172 F HA -0.264 4.330 4.527 0.113 0.000 0.297 172 F C 2.114 177.708 175.800 -0.345 0.000 1.123 172 F CA 1.874 59.648 58.000 -0.378 0.000 1.199 172 F CB -0.516 38.278 39.000 -0.343 0.000 0.972 172 F HN 0.038 nan 8.300 nan 0.000 0.474 173 F N 0.352 119.989 119.950 -0.522 0.000 2.367 173 F HA 0.093 4.689 4.527 0.115 0.000 0.298 173 F C 2.072 177.596 175.800 -0.460 0.000 1.094 173 F CA 0.760 58.385 58.000 -0.625 0.000 1.409 173 F CB -1.679 37.097 39.000 -0.373 0.000 1.064 173 F HN 0.103 nan 8.300 nan 0.000 0.528 174 Q N 0.687 120.290 119.800 -0.328 0.000 2.079 174 Q HA -0.196 4.212 4.340 0.114 0.000 0.200 174 Q C 1.720 177.602 176.000 -0.197 0.000 0.974 174 Q CA 1.846 57.558 55.803 -0.152 0.000 0.840 174 Q CB -0.400 28.315 28.738 -0.038 0.000 0.898 174 Q HN 0.578 nan 8.270 nan 0.000 0.430 175 D N 0.139 120.377 120.400 -0.269 0.000 2.117 175 D HA -0.131 4.577 4.640 0.114 0.000 0.198 175 D C 1.776 177.920 176.300 -0.259 0.000 0.982 175 D CA 1.375 55.236 54.000 -0.231 0.000 0.828 175 D CB -0.016 40.651 40.800 -0.221 0.000 0.967 175 D HN 0.225 nan 8.370 nan 0.000 0.464 176 A N -0.205 122.372 122.820 -0.405 0.000 1.933 176 A HA -0.137 4.251 4.320 0.114 0.000 0.218 176 A C 2.322 179.771 177.584 -0.225 0.000 1.175 176 A CA 1.995 53.816 52.037 -0.359 0.000 0.628 176 A CB -1.077 17.581 19.000 -0.570 0.000 0.814 176 A HN 0.292 nan 8.150 nan 0.000 0.444 177 S N -0.446 115.117 115.700 -0.228 0.000 2.359 177 S HA -0.231 4.307 4.470 0.114 0.000 0.224 177 S C 2.143 176.664 174.600 -0.131 0.000 1.035 177 S CA 2.020 60.112 58.200 -0.179 0.000 1.018 177 S CB -0.328 62.712 63.200 -0.265 0.000 0.876 177 S HN 0.617 nan 8.310 nan 0.000 0.448 178 K N 0.364 120.688 120.400 -0.126 0.000 2.032 178 K HA -0.084 4.304 4.320 0.114 0.000 0.209 178 K C 2.483 179.028 176.600 -0.092 0.000 1.048 178 K CA 1.290 57.519 56.287 -0.096 0.000 0.927 178 K CB -0.204 32.247 32.500 -0.081 0.000 0.712 178 K HN 0.294 nan 8.250 nan 0.000 0.441 179 R N 0.275 120.718 120.500 -0.094 0.000 2.105 179 R HA -0.160 4.248 4.340 0.114 0.000 0.239 179 R C 2.377 178.651 176.300 -0.043 0.000 1.135 179 R CA 1.317 57.375 56.100 -0.069 0.000 0.967 179 R CB -0.392 29.863 30.300 -0.075 0.000 0.861 179 R HN 0.209 nan 8.270 nan 0.000 0.442 180 L N 0.399 121.598 121.223 -0.040 0.000 2.005 180 L HA -0.103 4.305 4.340 0.114 0.000 0.207 180 L C 2.085 178.952 176.870 -0.005 0.000 1.072 180 L CA 1.601 56.462 54.840 0.035 0.000 0.744 180 L CB -0.480 41.605 42.059 0.044 0.000 0.895 180 L HN -0.116 nan 8.230 nan 0.000 0.433 181 V N -0.423 119.415 119.914 -0.127 0.000 2.515 181 V HA -0.236 3.952 4.120 0.114 0.000 0.250 181 V C 2.085 177.988 176.094 -0.319 0.000 1.058 181 V CA 1.753 63.865 62.300 -0.313 0.000 1.064 181 V CB -0.550 31.144 31.823 -0.216 0.000 0.675 181 V HN 0.583 nan 8.190 nan 0.000 0.461 182 Q N -0.000 119.695 119.800 -0.175 0.000 2.247 182 Q HA 0.162 4.570 4.340 0.114 0.000 0.204 182 Q C 0.754 176.700 176.000 -0.089 0.000 0.872 182 Q CA -0.065 55.657 55.803 -0.135 0.000 0.951 182 Q CB 0.427 29.106 28.738 -0.097 0.000 1.099 182 Q HN 0.712 nan 8.270 nan 0.000 0.501 183 S N 0.441 116.106 115.700 -0.059 0.000 2.552 183 S HA 0.005 4.543 4.470 0.114 0.000 0.289 183 S C 1.120 175.722 174.600 0.003 0.000 1.304 183 S CA 0.203 58.403 58.200 0.000 0.000 1.063 183 S CB 0.973 64.215 63.200 0.069 0.000 0.848 183 S HN 0.319 nan 8.310 nan 0.000 0.499 184 T N -2.218 112.337 114.554 0.002 0.000 3.022 184 T HA 0.177 4.595 4.350 0.114 0.000 0.250 184 T C 0.150 174.860 174.700 0.016 0.000 1.060 184 T CA 0.083 62.182 62.100 -0.001 0.000 1.013 184 T CB -0.406 68.456 68.868 -0.010 0.000 0.982 184 T HN 0.863 nan 8.240 nan 0.000 0.508 185 D N -0.099 120.318 120.400 0.028 0.000 2.547 185 D HA 0.544 5.252 4.640 0.114 0.000 0.231 185 D C 1.021 177.346 176.300 0.042 0.000 1.099 185 D CA -0.669 53.353 54.000 0.037 0.000 0.901 185 D CB 2.063 42.882 40.800 0.031 0.000 1.478 185 D HN -0.004 nan 8.370 nan 0.000 0.471 186 A N 1.058 123.903 122.820 0.042 0.000 1.933 186 A HA -0.246 4.142 4.320 0.114 0.000 0.218 186 A C 2.165 179.754 177.584 0.008 0.000 1.175 186 A CA 2.117 54.167 52.037 0.023 0.000 0.628 186 A CB -0.745 18.273 19.000 0.030 0.000 0.814 186 A HN 0.725 nan 8.150 nan 0.000 0.444 187 Q N -0.253 119.556 119.800 0.015 0.000 2.050 187 Q HA -0.134 4.274 4.340 0.114 0.000 0.202 187 Q C 2.202 178.206 176.000 0.006 0.000 0.980 187 Q CA 2.019 57.827 55.803 0.008 0.000 0.840 187 Q CB -0.264 28.480 28.738 0.012 0.000 0.898 187 Q HN 0.525 nan 8.270 nan 0.000 0.424 188 S N 0.153 115.860 115.700 0.011 0.000 2.383 188 S HA -0.204 4.335 4.470 0.114 0.000 0.229 188 S C 1.889 176.497 174.600 0.012 0.000 1.030 188 S CA 1.042 59.248 58.200 0.009 0.000 1.002 188 S CB -0.483 62.723 63.200 0.009 0.000 0.829 188 S HN 0.603 nan 8.310 nan 0.000 0.467 189 A N 1.270 124.105 122.820 0.025 0.000 1.873 189 A HA 0.011 4.399 4.320 0.114 0.000 0.215 189 A C 2.110 179.686 177.584 -0.014 0.000 1.186 189 A CA 1.141 53.200 52.037 0.036 0.000 0.616 189 A CB -0.753 18.278 19.000 0.051 0.000 0.823 189 A HN 0.453 nan 8.150 nan 0.000 0.442 190 L N -0.611 120.593 121.223 -0.031 0.000 2.079 190 L HA -0.182 4.226 4.340 0.114 0.000 0.210 190 L C 2.796 179.658 176.870 -0.014 0.000 1.081 190 L CA 1.753 56.572 54.840 -0.036 0.000 0.752 190 L CB -0.796 41.244 42.059 -0.031 0.000 0.896 190 L HN 0.369 nan 8.230 nan 0.000 0.433 191 T N -0.300 114.252 114.554 -0.003 0.000 2.701 191 T HA -0.155 4.263 4.350 0.114 0.000 0.263 191 T C 2.014 176.718 174.700 0.008 0.000 1.040 191 T CA 1.343 63.447 62.100 0.007 0.000 1.147 191 T CB -0.243 68.630 68.868 0.007 0.000 0.865 191 T HN 0.447 nan 8.240 nan 0.000 0.426 192 A N 1.625 124.441 122.820 -0.006 0.000 1.902 192 A HA -0.121 4.267 4.320 0.114 0.000 0.217 192 A C 2.315 179.890 177.584 -0.014 0.000 1.181 192 A CA 1.619 53.640 52.037 -0.026 0.000 0.623 192 A CB -0.581 18.398 19.000 -0.036 0.000 0.818 192 A HN 0.359 nan 8.150 nan 0.000 0.443 193 R N -0.048 120.448 120.500 -0.006 0.000 2.073 193 R HA -0.157 4.251 4.340 0.114 0.000 0.234 193 R C 1.965 178.277 176.300 0.021 0.000 1.134 193 R CA 1.885 57.982 56.100 -0.005 0.000 0.952 193 R CB -0.507 29.773 30.300 -0.034 0.000 0.850 193 R HN 0.750 nan 8.270 nan 0.000 0.433 194 N N 0.132 118.846 118.700 0.023 0.000 2.104 194 N HA -0.169 4.639 4.740 0.114 0.000 0.190 194 N C 1.244 176.809 175.510 0.092 0.000 1.024 194 N CA 1.458 54.535 53.050 0.044 0.000 0.853 194 N CB -0.121 38.386 38.487 0.033 0.000 1.008 194 N HN 0.232 nan 8.380 nan 0.000 0.424 195 D N 1.068 121.535 120.400 0.112 0.000 2.116 195 D HA -0.139 4.569 4.640 0.114 0.000 0.193 195 D C 2.028 178.536 176.300 0.346 0.000 0.998 195 D CA 0.889 55.029 54.000 0.233 0.000 0.836 195 D CB -0.389 40.511 40.800 0.167 0.000 0.951 195 D HN 0.255 nan 8.370 nan 0.000 0.449 196 L N 0.422 121.759 121.223 0.189 0.000 2.093 196 L HA -0.105 4.303 4.340 0.114 0.000 0.208 196 L C 2.497 179.512 176.870 0.241 0.000 1.085 196 L CA 0.949 55.924 54.840 0.225 0.000 0.755 196 L CB -0.332 41.773 42.059 0.078 0.000 0.904 196 L HN -0.019 nan 8.230 nan 0.000 0.435 197 A N 0.240 123.146 122.820 0.144 0.000 1.902 197 A HA -0.116 4.273 4.320 0.114 0.000 0.217 197 A C 2.386 180.027 177.584 0.095 0.000 1.181 197 A CA 1.695 53.788 52.037 0.095 0.000 0.623 197 A CB -1.209 17.822 19.000 0.052 0.000 0.818 197 A HN 0.429 nan 8.150 nan 0.000 0.443 198 G N -1.773 107.098 108.800 0.118 0.000 2.418 198 G HA2 -0.260 3.768 3.960 0.114 0.000 0.217 198 G HA3 -0.260 3.768 3.960 0.114 0.000 0.217 198 G C 1.545 176.495 174.900 0.084 0.000 1.158 198 G CA 1.250 46.399 45.100 0.082 0.000 0.771 198 G HN 0.584 nan 8.290 nan 0.000 0.545 199 Y N 1.138 121.474 120.300 0.060 0.000 2.128 199 Y HA -0.054 4.564 4.550 0.112 0.000 0.284 199 Y C 2.504 178.412 175.900 0.012 0.000 1.154 199 Y CA 1.486 59.607 58.100 0.036 0.000 1.149 199 Y CB -0.249 38.355 38.460 0.241 0.000 0.976 199 Y HN 0.114 nan 8.280 nan 0.000 0.505 200 L N -0.192 121.020 121.223 -0.018 0.000 2.109 200 L HA -0.155 4.253 4.340 0.114 0.000 0.207 200 L C 2.175 178.948 176.870 -0.162 0.000 1.086 200 L CA 1.664 56.423 54.840 -0.135 0.000 0.760 200 L CB -0.633 41.439 42.059 0.022 0.000 0.910 200 L HN 0.224 nan 8.230 nan 0.000 0.437 201 D N 0.098 120.444 120.400 -0.089 0.000 2.123 201 D HA -0.184 4.524 4.640 0.114 0.000 0.196 201 D C 2.173 178.389 176.300 -0.140 0.000 0.992 201 D CA 1.490 55.439 54.000 -0.084 0.000 0.833 201 D CB -0.034 40.741 40.800 -0.041 0.000 0.954 201 D HN 0.231 nan 8.370 nan 0.000 0.455 202 G N 0.089 108.776 108.800 -0.189 0.000 2.418 202 G HA2 -0.238 3.791 3.960 0.114 0.000 0.217 202 G HA3 -0.238 3.791 3.960 0.114 0.000 0.217 202 G C 1.519 176.230 174.900 -0.315 0.000 1.158 202 G CA 0.790 45.757 45.100 -0.222 0.000 0.771 202 G HN 0.324 nan 8.290 nan 0.000 0.545 203 L N 0.716 121.664 121.223 -0.458 0.000 2.046 203 L HA 0.075 4.483 4.340 0.114 0.000 0.208 203 L C 2.717 179.214 176.870 -0.621 0.000 1.077 203 L CA 1.253 55.710 54.840 -0.638 0.000 0.747 203 L CB -0.368 41.273 42.059 -0.698 0.000 0.896 203 L HN 0.263 nan 8.230 nan 0.000 0.432 204 I N -1.229 119.146 120.570 -0.325 0.000 2.163 204 I HA -0.352 3.886 4.170 0.114 0.000 0.243 204 I C 2.212 178.287 176.117 -0.071 0.000 1.085 204 I CA 1.836 63.060 61.300 -0.127 0.000 1.347 204 I CB -0.679 37.294 38.000 -0.045 0.000 1.044 204 I HN 0.276 nan 8.210 nan 0.000 0.408 205 T N -0.198 114.296 114.554 -0.100 0.000 2.708 205 T HA -0.285 4.133 4.350 0.114 0.000 0.266 205 T C 1.829 176.502 174.700 -0.045 0.000 1.037 205 T CA 1.527 63.594 62.100 -0.056 0.000 1.146 205 T CB -0.334 68.494 68.868 -0.066 0.000 0.865 205 T HN 0.405 nan 8.240 nan 0.000 0.435 206 Q N -0.257 119.474 119.800 -0.116 0.000 2.062 206 Q HA -0.177 4.231 4.340 0.114 0.000 0.209 206 Q C 1.952 177.994 176.000 0.069 0.000 0.996 206 Q CA 1.720 57.472 55.803 -0.085 0.000 0.859 206 Q CB -0.241 28.368 28.738 -0.215 0.000 0.920 206 Q HN 0.435 nan 8.270 nan 0.000 0.415 207 F N 0.978 120.912 119.950 -0.028 0.000 2.269 207 F HA -0.139 4.455 4.527 0.112 0.000 0.301 207 F C 2.296 178.088 175.800 -0.014 0.000 1.082 207 F CA 1.040 59.029 58.000 -0.019 0.000 1.360 207 F CB -0.639 38.350 39.000 -0.019 0.000 1.041 207 F HN 0.245 nan 8.300 nan 0.000 0.512 208 Q N -0.910 118.990 119.800 0.167 0.000 2.167 208 Q HA -0.116 4.292 4.340 0.114 0.000 0.202 208 Q C 2.006 178.044 176.000 0.063 0.000 0.970 208 Q CA 1.833 57.689 55.803 0.088 0.000 0.855 208 Q CB -0.356 28.414 28.738 0.054 0.000 0.911 208 Q HN 0.329 nan 8.270 nan 0.000 0.438 209 T N 0.188 114.780 114.554 0.064 0.000 2.852 209 T HA -0.062 4.357 4.350 0.114 0.000 0.256 209 T C 0.459 175.192 174.700 0.055 0.000 1.038 209 T CA 0.903 63.030 62.100 0.046 0.000 1.141 209 T CB 0.125 69.013 68.868 0.034 0.000 0.869 209 T HN 0.019 nan 8.240 nan 0.000 0.439 210 E N 1.684 121.938 120.200 0.090 0.000 2.325 210 E HA 0.358 4.776 4.350 0.114 0.000 0.248 210 E C -2.916 173.747 176.600 0.106 0.000 0.912 210 E CA -2.956 53.495 56.400 0.085 0.000 0.782 210 E CB 1.076 30.827 29.700 0.085 0.000 1.264 210 E HN 0.009 nan 8.360 nan 0.000 0.417 211 P HA 0.144 nan 4.420 nan 0.000 0.264 211 P C -0.232 176.966 177.300 -0.169 0.000 1.179 211 P CA 0.285 63.346 63.100 -0.066 0.000 0.763 211 P CB 0.852 32.509 31.700 -0.072 0.000 0.806 212 G N 0.607 109.076 108.800 -0.551 0.000 2.714 212 G HA2 0.656 4.684 3.960 0.114 0.000 0.292 212 G HA3 0.656 4.684 3.960 0.114 0.000 0.292 212 G C -1.061 173.479 174.900 -0.599 0.000 1.308 212 G CA -0.546 44.132 45.100 -0.704 0.000 0.964 212 G HN 0.588 nan 8.290 nan 0.000 0.484 213 A N -1.327 121.290 122.820 -0.338 0.000 2.296 213 A HA 0.856 5.244 4.320 0.114 0.000 0.264 213 A C 1.063 178.532 177.584 -0.191 0.000 1.097 213 A CA 0.860 52.780 52.037 -0.194 0.000 0.811 213 A CB -0.078 18.880 19.000 -0.071 0.000 1.072 213 A HN 2.723 nan 8.150 nan 0.000 0.495 214 G N -1.636 107.098 108.800 -0.109 0.000 2.756 214 G HA2 0.114 4.143 3.960 0.114 0.000 0.678 214 G HA3 0.114 4.143 3.960 0.114 0.000 0.678 214 G C 0.298 175.165 174.900 -0.056 0.000 1.349 214 G CA 0.081 45.149 45.100 -0.054 0.000 0.847 214 G HN 1.880 nan 8.290 nan 0.000 0.548 215 L N 0.526 121.743 121.223 -0.010 0.000 2.042 215 L HA -0.021 4.387 4.340 0.114 0.000 0.210 215 L C 3.070 179.969 176.870 0.048 0.000 1.076 215 L CA 3.022 57.872 54.840 0.017 0.000 0.749 215 L CB -0.783 41.308 42.059 0.054 0.000 0.893 215 L HN 0.868 nan 8.230 nan 0.000 0.432 216 V N 0.118 120.098 119.914 0.110 0.000 2.332 216 V HA -0.231 3.957 4.120 0.114 0.000 0.248 216 V C 2.635 178.819 176.094 0.151 0.000 1.055 216 V CA 1.752 64.170 62.300 0.197 0.000 1.038 216 V CB -1.734 30.285 31.823 0.327 0.000 0.651 216 V HN 0.642 nan 8.190 nan 0.000 0.450 217 G N -0.402 108.317 108.800 -0.134 0.000 2.418 217 G HA2 -0.206 3.822 3.960 0.114 0.000 0.217 217 G HA3 -0.206 3.822 3.960 0.114 0.000 0.217 217 G C 1.756 176.516 174.900 -0.232 0.000 1.158 217 G CA 1.088 45.847 45.100 -0.569 0.000 0.771 217 G HN 0.615 nan 8.290 nan 0.000 0.545 218 A N 0.497 123.239 122.820 -0.131 0.000 1.898 218 A HA 0.159 4.547 4.320 0.114 0.000 0.216 218 A C 2.443 180.010 177.584 -0.028 0.000 1.181 218 A CA 1.155 53.147 52.037 -0.075 0.000 0.620 218 A CB -0.410 18.556 19.000 -0.056 0.000 0.819 218 A HN 0.338 nan 8.150 nan 0.000 0.442 219 L N -0.459 120.768 121.223 0.006 0.000 2.042 219 L HA -0.184 4.224 4.340 0.114 0.000 0.210 219 L C 2.546 179.438 176.870 0.038 0.000 1.076 219 L CA 1.175 56.035 54.840 0.032 0.000 0.749 219 L CB -0.601 41.495 42.059 0.062 0.000 0.893 219 L HN 0.252 nan 8.230 nan 0.000 0.432 220 V N 0.001 119.950 119.914 0.058 0.000 2.295 220 V HA -0.286 3.902 4.120 0.114 0.000 0.246 220 V C 2.677 178.791 176.094 0.032 0.000 1.049 220 V CA 1.938 64.282 62.300 0.073 0.000 1.024 220 V CB -0.832 31.089 31.823 0.163 0.000 0.648 220 V HN 0.492 nan 8.190 nan 0.000 0.447 221 A N -1.029 121.789 122.820 -0.004 0.000 2.014 221 A HA -0.166 4.222 4.320 0.114 0.000 0.218 221 A C 1.938 179.515 177.584 -0.012 0.000 1.163 221 A CA 1.927 53.954 52.037 -0.017 0.000 0.652 221 A CB -0.288 18.682 19.000 -0.050 0.000 0.808 221 A HN 0.595 nan 8.150 nan 0.000 0.449 222 D N -1.681 118.712 120.400 -0.011 0.000 2.928 222 D HA 0.049 4.757 4.640 0.114 0.000 0.265 222 D C 2.006 178.305 176.300 -0.002 0.000 1.542 222 D CA 0.703 54.697 54.000 -0.010 0.000 1.133 222 D CB -0.276 40.514 40.800 -0.016 0.000 1.057 222 D HN 0.145 nan 8.370 nan 0.000 0.331 223 Q N 0.178 119.979 119.800 0.002 0.000 2.096 223 Q HA -0.059 4.349 4.340 0.114 0.000 0.204 223 Q C 2.098 178.105 176.000 0.011 0.000 0.982 223 Q CA 1.073 56.879 55.803 0.005 0.000 0.850 223 Q CB -0.353 28.390 28.738 0.007 0.000 0.901 223 Q HN 0.251 nan 8.270 nan 0.000 0.422 224 L N 0.116 121.351 121.223 0.019 0.000 2.017 224 L HA -0.091 4.317 4.340 0.114 0.000 0.208 224 L C 1.989 178.869 176.870 0.017 0.000 1.073 224 L CA 2.103 56.957 54.840 0.023 0.000 0.745 224 L CB -0.956 41.123 42.059 0.034 0.000 0.894 224 L HN 0.202 nan 8.230 nan 0.000 0.432 225 A N -0.902 121.926 122.820 0.014 0.000 2.019 225 A HA -0.187 4.201 4.320 0.114 0.000 0.219 225 A C 1.925 179.513 177.584 0.006 0.000 1.164 225 A CA 1.819 53.862 52.037 0.010 0.000 0.644 225 A CB -0.697 18.307 19.000 0.007 0.000 0.805 225 A HN 0.676 nan 8.150 nan 0.000 0.449 226 N N -1.022 117.681 118.700 0.004 0.000 2.280 226 N HA 0.134 4.942 4.740 0.114 0.000 0.192 226 N C 1.027 176.539 175.510 0.003 0.000 1.109 226 N CA 0.764 53.815 53.050 0.002 0.000 0.855 226 N CB 0.412 38.898 38.487 -0.002 0.000 0.974 226 N HN 0.591 nan 8.380 nan 0.000 0.482 227 G N 1.701 110.505 108.800 0.007 0.000 2.155 227 G HA2 -0.299 3.729 3.960 0.114 0.000 0.257 227 G HA3 -0.299 3.729 3.960 0.114 0.000 0.257 227 G C 0.713 175.617 174.900 0.007 0.000 0.983 227 G CA 0.462 45.567 45.100 0.008 0.000 0.676 227 G HN 0.430 nan 8.290 nan 0.000 0.528 228 E N -1.049 119.154 120.200 0.006 0.000 2.299 228 E HA 0.335 4.753 4.350 0.114 0.000 0.193 228 E C 1.093 177.698 176.600 0.008 0.000 0.998 228 E CA 0.442 56.844 56.400 0.004 0.000 0.851 228 E CB 0.658 30.357 29.700 -0.003 0.000 0.795 228 E HN 0.660 nan 8.360 nan 0.000 0.492 229 I N 0.967 121.547 120.570 0.015 0.000 2.689 229 I HA 0.156 4.394 4.170 0.114 0.000 0.299 229 I C -1.256 174.875 176.117 0.025 0.000 1.059 229 I CA -1.002 60.313 61.300 0.024 0.000 1.055 229 I CB 1.753 39.773 38.000 0.033 0.000 1.243 229 I HN -0.221 nan 8.210 nan 0.000 0.425 230 D N 5.745 126.161 120.400 0.027 0.000 2.341 230 D HA 0.122 4.830 4.640 0.114 0.000 0.245 230 D C 0.819 177.134 176.300 0.026 0.000 1.106 230 D CA -0.168 53.846 54.000 0.023 0.000 0.905 230 D CB 1.336 42.149 40.800 0.021 0.000 1.202 230 D HN 0.506 nan 8.370 nan 0.000 0.426 231 R N 1.612 122.125 120.500 0.021 0.000 2.096 231 R HA -0.221 4.187 4.340 0.114 0.000 0.240 231 R C 1.709 178.021 176.300 0.020 0.000 1.139 231 R CA 1.720 57.832 56.100 0.020 0.000 0.952 231 R CB 0.015 30.323 30.300 0.013 0.000 0.854 231 R HN 0.592 nan 8.270 nan 0.000 0.436 232 E N 0.256 120.466 120.200 0.017 0.000 2.077 232 E HA -0.227 4.191 4.350 0.114 0.000 0.193 232 E C 1.725 178.338 176.600 0.021 0.000 0.989 232 E CA 1.516 57.925 56.400 0.015 0.000 0.800 232 E CB 0.027 29.733 29.700 0.010 0.000 0.746 232 E HN 0.466 nan 8.360 nan 0.000 0.452 233 E N 0.075 120.292 120.200 0.029 0.000 2.110 233 E HA -0.200 4.218 4.350 0.114 0.000 0.193 233 E C 2.109 178.742 176.600 0.054 0.000 0.988 233 E CA 0.825 57.251 56.400 0.042 0.000 0.804 233 E CB -0.089 29.642 29.700 0.051 0.000 0.745 233 E HN 0.233 nan 8.360 nan 0.000 0.458 234 L N 1.202 122.455 121.223 0.051 0.000 2.056 234 L HA -0.130 4.278 4.340 0.114 0.000 0.207 234 L C 1.925 178.827 176.870 0.054 0.000 1.078 234 L CA 1.440 56.317 54.840 0.061 0.000 0.749 234 L CB -0.500 41.593 42.059 0.057 0.000 0.901 234 L HN 0.104 nan 8.230 nan 0.000 0.433 235 I N -0.830 119.762 120.570 0.037 0.000 2.179 235 I HA -0.312 3.926 4.170 0.114 0.000 0.242 235 I C 2.385 178.518 176.117 0.027 0.000 1.088 235 I CA 1.471 62.788 61.300 0.029 0.000 1.357 235 I CB -0.450 37.562 38.000 0.020 0.000 1.051 235 I HN 0.219 nan 8.210 nan 0.000 0.409 236 S N 0.121 115.832 115.700 0.019 0.000 2.368 236 S HA -0.177 4.361 4.470 0.114 0.000 0.225 236 S C 2.034 176.630 174.600 -0.008 0.000 1.030 236 S CA 1.971 60.170 58.200 -0.001 0.000 0.999 236 S CB -0.440 62.755 63.200 -0.008 0.000 0.844 236 S HN 0.477 nan 8.310 nan 0.000 0.459 237 T N 2.543 117.113 114.554 0.027 0.000 2.674 237 T HA -0.063 4.355 4.350 0.114 0.000 0.265 237 T C 2.198 176.929 174.700 0.051 0.000 1.039 237 T CA 1.334 63.463 62.100 0.048 0.000 1.150 237 T CB -0.632 68.328 68.868 0.154 0.000 0.864 237 T HN 0.469 nan 8.240 nan 0.000 0.427 238 A N 1.275 124.136 122.820 0.070 0.000 1.940 238 A HA -0.070 4.318 4.320 0.114 0.000 0.219 238 A C 2.329 179.941 177.584 0.046 0.000 1.176 238 A CA 1.790 53.871 52.037 0.073 0.000 0.631 238 A CB -0.750 18.294 19.000 0.074 0.000 0.814 238 A HN 0.502 nan 8.150 nan 0.000 0.446 239 M N -1.082 118.533 119.600 0.026 0.000 2.117 239 M HA -0.123 4.425 4.480 0.114 0.000 0.262 239 M C 2.091 178.386 176.300 -0.009 0.000 1.065 239 M CA 1.869 57.175 55.300 0.010 0.000 1.114 239 M CB -0.220 32.384 32.600 0.007 0.000 1.361 239 M HN 0.435 nan 8.290 nan 0.000 0.408 240 L N 0.942 122.143 121.223 -0.036 0.000 1.990 240 L HA -0.235 4.173 4.340 0.114 0.000 0.213 240 L C 1.960 178.812 176.870 -0.030 0.000 1.072 240 L CA 1.949 56.747 54.840 -0.070 0.000 0.755 240 L CB -1.019 40.927 42.059 -0.188 0.000 0.889 240 L HN 0.281 nan 8.230 nan 0.000 0.432 241 L N -1.154 120.073 121.223 0.006 0.000 2.046 241 L HA -0.165 4.244 4.340 0.114 0.000 0.208 241 L C 2.391 179.330 176.870 0.115 0.000 1.077 241 L CA 1.516 56.404 54.840 0.080 0.000 0.747 241 L CB -1.359 40.802 42.059 0.170 0.000 0.896 241 L HN 0.348 nan 8.230 nan 0.000 0.432 242 L N -0.737 120.538 121.223 0.087 0.000 2.017 242 L HA -0.184 4.224 4.340 0.114 0.000 0.208 242 L C 2.323 179.270 176.870 0.129 0.000 1.073 242 L CA 1.782 56.682 54.840 0.100 0.000 0.745 242 L CB -0.365 41.686 42.059 -0.014 0.000 0.894 242 L HN 0.166 nan 8.230 nan 0.000 0.432 243 I N -0.892 119.696 120.570 0.031 0.000 2.233 243 I HA -0.221 4.017 4.170 0.114 0.000 0.243 243 I C 2.580 178.738 176.117 0.069 0.000 1.093 243 I CA 1.013 62.315 61.300 0.003 0.000 1.380 243 I CB -0.632 37.350 38.000 -0.031 0.000 1.067 243 I HN 0.320 nan 8.210 nan 0.000 0.413 244 A N 1.075 123.930 122.820 0.058 0.000 1.892 244 A HA -0.194 4.195 4.320 0.114 0.000 0.218 244 A C 2.426 180.076 177.584 0.109 0.000 1.188 244 A CA 2.117 54.193 52.037 0.065 0.000 0.631 244 A CB -1.575 17.445 19.000 0.034 0.000 0.822 244 A HN 0.477 nan 8.150 nan 0.000 0.447 245 G N -1.685 107.203 108.800 0.146 0.000 2.450 245 G HA2 -0.227 3.801 3.960 0.114 0.000 0.220 245 G HA3 -0.227 3.801 3.960 0.114 0.000 0.220 245 G C 1.398 176.374 174.900 0.126 0.000 1.130 245 G CA 1.474 46.666 45.100 0.154 0.000 0.760 245 G HN 0.688 nan 8.290 nan 0.000 0.557 246 H N 0.049 119.151 119.070 0.053 0.000 2.276 246 H HA 0.124 4.748 4.556 0.113 0.000 0.307 246 H C 2.633 177.969 175.328 0.013 0.000 1.061 246 H CA 1.360 57.435 56.048 0.044 0.000 1.336 246 H CB 0.162 29.962 29.762 0.062 0.000 1.396 246 H HN 0.176 nan 8.280 nan 0.000 0.503 247 E N -0.104 120.194 120.200 0.164 0.000 2.158 247 E HA -0.092 4.327 4.350 0.114 0.000 0.191 247 E C 2.265 178.889 176.600 0.040 0.000 0.982 247 E CA 1.401 57.844 56.400 0.073 0.000 0.823 247 E CB -0.413 29.304 29.700 0.028 0.000 0.766 247 E HN 0.641 nan 8.360 nan 0.000 0.468 248 T N -0.755 113.831 114.554 0.053 0.000 2.698 248 T HA -0.090 4.328 4.350 0.114 0.000 0.260 248 T C 2.160 176.885 174.700 0.041 0.000 1.044 248 T CA 1.770 63.900 62.100 0.050 0.000 1.149 248 T CB -0.862 68.058 68.868 0.087 0.000 0.864 248 T HN -0.050 nan 8.240 nan 0.000 0.419 249 T N 2.354 116.936 114.554 0.046 0.000 2.720 249 T HA 0.049 4.467 4.350 0.114 0.000 0.268 249 T C 2.465 177.154 174.700 -0.019 0.000 1.037 249 T CA 1.388 63.501 62.100 0.021 0.000 1.144 249 T CB -0.946 67.928 68.868 0.010 0.000 0.864 249 T HN 0.600 nan 8.240 nan 0.000 0.444 250 A N 1.503 124.305 122.820 -0.030 0.000 1.908 250 A HA -0.142 4.246 4.320 0.114 0.000 0.218 250 A C 2.619 180.189 177.584 -0.024 0.000 1.181 250 A CA 2.142 54.149 52.037 -0.050 0.000 0.627 250 A CB -0.936 18.042 19.000 -0.036 0.000 0.818 250 A HN 0.467 nan 8.150 nan 0.000 0.445 251 S N -0.509 115.186 115.700 -0.009 0.000 2.368 251 S HA -0.138 4.400 4.470 0.114 0.000 0.225 251 S C 2.013 176.610 174.600 -0.005 0.000 1.030 251 S CA 1.610 59.806 58.200 -0.007 0.000 0.999 251 S CB -0.322 62.872 63.200 -0.010 0.000 0.844 251 S HN 0.467 nan 8.310 nan 0.000 0.459 252 M N 1.418 121.015 119.600 -0.004 0.000 2.159 252 M HA -0.068 4.480 4.480 0.114 0.000 0.263 252 M C 2.219 178.519 176.300 0.001 0.000 1.063 252 M CA 1.387 56.684 55.300 -0.005 0.000 1.110 252 M CB -1.987 30.614 32.600 0.001 0.000 1.374 252 M HN 0.289 nan 8.290 nan 0.000 0.411 253 T N 0.499 115.053 114.554 0.000 0.000 2.674 253 T HA -0.086 4.332 4.350 0.114 0.000 0.265 253 T C 2.074 176.797 174.700 0.038 0.000 1.039 253 T CA 1.901 64.012 62.100 0.019 0.000 1.150 253 T CB -0.161 68.702 68.868 -0.008 0.000 0.864 253 T HN 0.367 nan 8.240 nan 0.000 0.427 254 S N 1.400 117.121 115.700 0.034 0.000 2.368 254 S HA 0.063 4.601 4.470 0.114 0.000 0.225 254 S C 2.078 176.699 174.600 0.035 0.000 1.030 254 S CA 0.850 59.077 58.200 0.044 0.000 0.999 254 S CB -0.459 62.763 63.200 0.036 0.000 0.844 254 S HN 0.330 nan 8.310 nan 0.000 0.459 255 L N 1.096 122.335 121.223 0.027 0.000 2.141 255 L HA -0.055 4.353 4.340 0.114 0.000 0.209 255 L C 2.496 179.387 176.870 0.034 0.000 1.094 255 L CA 0.832 55.696 54.840 0.040 0.000 0.763 255 L CB -0.602 41.477 42.059 0.033 0.000 0.908 255 L HN 0.269 nan 8.230 nan 0.000 0.437 256 S N -0.415 115.285 115.700 0.000 0.000 2.368 256 S HA -0.134 4.404 4.470 0.114 0.000 0.224 256 S C 2.065 176.610 174.600 -0.092 0.000 1.029 256 S CA 1.032 59.205 58.200 -0.045 0.000 0.988 256 S CB -0.162 63.010 63.200 -0.047 0.000 0.838 256 S HN 0.142 nan 8.310 nan 0.000 0.462 257 V N 2.264 122.143 119.914 -0.059 0.000 2.255 257 V HA -0.200 3.988 4.120 0.114 0.000 0.247 257 V C 2.086 178.143 176.094 -0.062 0.000 1.051 257 V CA 1.716 63.965 62.300 -0.086 0.000 1.018 257 V CB -0.693 31.128 31.823 -0.003 0.000 0.641 257 V HN 0.436 nan 8.190 nan 0.000 0.445 258 I N -0.043 120.535 120.570 0.014 0.000 2.163 258 I HA -0.278 3.960 4.170 0.114 0.000 0.243 258 I C 2.518 178.689 176.117 0.090 0.000 1.085 258 I CA 2.081 63.423 61.300 0.070 0.000 1.347 258 I CB -0.689 37.380 38.000 0.114 0.000 1.044 258 I HN 0.338 nan 8.210 nan 0.000 0.408 259 T N 1.036 115.626 114.554 0.059 0.000 2.737 259 T HA -0.076 4.342 4.350 0.114 0.000 0.265 259 T C 1.952 176.621 174.700 -0.052 0.000 1.038 259 T CA 1.150 63.226 62.100 -0.040 0.000 1.144 259 T CB -0.325 68.496 68.868 -0.078 0.000 0.866 259 T HN 0.218 nan 8.240 nan 0.000 0.434 260 L N 0.534 121.654 121.223 -0.172 0.000 2.046 260 L HA -0.033 4.375 4.340 0.114 0.000 0.208 260 L C 2.432 179.208 176.870 -0.156 0.000 1.077 260 L CA 1.103 55.773 54.840 -0.284 0.000 0.747 260 L CB -0.600 41.012 42.059 -0.746 0.000 0.896 260 L HN 0.245 nan 8.230 nan 0.000 0.432 261 L N -0.629 120.519 121.223 -0.125 0.000 2.191 261 L HA -0.200 4.208 4.340 0.114 0.000 0.212 261 L C 1.629 178.519 176.870 0.033 0.000 1.103 261 L CA 0.780 55.630 54.840 0.017 0.000 0.769 261 L CB -0.433 41.648 42.059 0.036 0.000 0.908 261 L HN 0.236 nan 8.230 nan 0.000 0.438 262 D N -1.507 118.897 120.400 0.007 0.000 2.347 262 D HA -0.033 4.676 4.640 0.114 0.000 0.213 262 D C 0.163 176.255 176.300 -0.347 0.000 0.985 262 D CA 0.754 54.692 54.000 -0.103 0.000 0.879 262 D CB 0.091 40.864 40.800 -0.045 0.000 0.919 262 D HN 0.348 nan 8.370 nan 0.000 0.526 263 H N -1.043 117.985 119.070 -0.069 0.000 2.336 263 H HA 0.206 4.830 4.556 0.114 0.000 0.230 263 H C -1.634 173.707 175.328 0.023 0.000 1.426 263 H CA -1.513 54.505 56.048 -0.050 0.000 1.359 263 H CB 1.084 30.770 29.762 -0.126 0.000 1.555 263 H HN -0.027 nan 8.280 nan 0.000 0.512 264 P HA -0.223 nan 4.420 nan 0.000 0.216 264 P C 1.539 178.916 177.300 0.130 0.000 1.150 264 P CA 1.181 64.367 63.100 0.142 0.000 0.837 264 P CB 0.749 32.502 31.700 0.089 0.000 0.786 265 E N 0.190 120.450 120.200 0.099 0.000 2.085 265 E HA -0.224 4.194 4.350 0.114 0.000 0.194 265 E C 2.227 178.890 176.600 0.106 0.000 0.994 265 E CA 1.171 57.621 56.400 0.084 0.000 0.801 265 E CB -0.238 29.503 29.700 0.068 0.000 0.743 265 E HN 0.268 nan 8.360 nan 0.000 0.453 266 Q N -0.924 118.953 119.800 0.127 0.000 2.123 266 Q HA -0.175 4.233 4.340 0.114 0.000 0.199 266 Q C 1.974 178.064 176.000 0.151 0.000 0.966 266 Q CA 1.136 57.009 55.803 0.118 0.000 0.845 266 Q CB -0.187 28.582 28.738 0.051 0.000 0.907 266 Q HN 0.374 nan 8.270 nan 0.000 0.439 267 Y N 0.976 121.281 120.300 0.008 0.000 2.224 267 Y HA -0.150 4.468 4.550 0.114 0.000 0.289 267 Y C 2.127 178.028 175.900 0.003 0.000 1.146 267 Y CA 0.895 58.994 58.100 -0.002 0.000 1.182 267 Y CB -0.535 37.931 38.460 0.009 0.000 0.983 267 Y HN 0.072 nan 8.280 nan 0.000 0.524 268 A N 0.042 122.874 122.820 0.019 0.000 1.898 268 A HA -0.037 4.351 4.320 0.114 0.000 0.216 268 A C 2.512 180.078 177.584 -0.032 0.000 1.181 268 A CA 1.774 53.772 52.037 -0.066 0.000 0.620 268 A CB -1.345 17.643 19.000 -0.021 0.000 0.819 268 A HN 0.478 nan 8.150 nan 0.000 0.442 269 A N -0.416 122.423 122.820 0.032 0.000 1.883 269 A HA -0.090 4.298 4.320 0.114 0.000 0.217 269 A C 2.125 179.722 177.584 0.023 0.000 1.186 269 A CA 1.815 53.886 52.037 0.056 0.000 0.624 269 A CB -0.684 18.401 19.000 0.142 0.000 0.822 269 A HN 0.588 nan 8.150 nan 0.000 0.444 270 L N -0.159 121.074 121.223 0.017 0.000 2.012 270 L HA -0.165 4.243 4.340 0.114 0.000 0.210 270 L C 2.521 179.376 176.870 -0.025 0.000 1.073 270 L CA 2.467 57.312 54.840 0.008 0.000 0.748 270 L CB -0.647 41.470 42.059 0.097 0.000 0.891 270 L HN 0.485 nan 8.230 nan 0.000 0.431 271 R N -0.910 119.532 120.500 -0.097 0.000 2.096 271 R HA -0.151 4.257 4.340 0.114 0.000 0.235 271 R C 2.024 178.282 176.300 -0.070 0.000 1.127 271 R CA 1.337 57.360 56.100 -0.129 0.000 0.968 271 R CB -0.302 29.854 30.300 -0.240 0.000 0.861 271 R HN 0.497 nan 8.270 nan 0.000 0.440 272 A N -0.196 122.594 122.820 -0.051 0.000 2.066 272 A HA -0.079 4.309 4.320 0.114 0.000 0.218 272 A C 0.269 177.847 177.584 -0.009 0.000 1.157 272 A CA 1.039 53.060 52.037 -0.027 0.000 0.670 272 A CB 0.149 19.140 19.000 -0.015 0.000 0.804 272 A HN 0.359 nan 8.150 nan 0.000 0.453 273 D N -1.374 119.024 120.400 -0.004 0.000 2.330 273 D HA 0.274 4.982 4.640 0.114 0.000 0.249 273 D C 0.613 176.914 176.300 0.002 0.000 1.306 273 D CA -0.501 53.503 54.000 0.006 0.000 0.956 273 D CB 0.483 41.297 40.800 0.023 0.000 1.261 273 D HN -0.079 nan 8.370 nan 0.000 0.544 274 R N 1.033 121.534 120.500 0.002 0.000 2.280 274 R HA -0.025 4.383 4.340 0.114 0.000 0.207 274 R C 1.745 178.050 176.300 0.008 0.000 1.043 274 R CA 0.655 56.758 56.100 0.006 0.000 1.006 274 R CB -0.774 29.532 30.300 0.010 0.000 0.885 274 R HN 0.463 nan 8.270 nan 0.000 0.467 275 S N 0.267 115.972 115.700 0.008 0.000 2.507 275 S HA -0.009 4.529 4.470 0.114 0.000 0.235 275 S C 1.876 176.478 174.600 0.004 0.000 0.988 275 S CA 0.504 58.711 58.200 0.010 0.000 0.944 275 S CB -0.325 62.883 63.200 0.014 0.000 0.762 275 S HN 0.257 nan 8.310 nan 0.000 0.526 276 L N 0.879 122.097 121.223 -0.009 0.000 2.478 276 L HA 0.076 4.484 4.340 0.114 0.000 0.223 276 L C 2.319 179.164 176.870 -0.041 0.000 1.140 276 L CA 0.146 54.961 54.840 -0.042 0.000 0.842 276 L CB -0.491 41.517 42.059 -0.085 0.000 0.953 276 L HN 0.231 nan 8.230 nan 0.000 0.452 277 V N 0.714 120.621 119.914 -0.011 0.000 2.295 277 V HA -0.162 4.027 4.120 0.114 0.000 0.246 277 V C -0.042 176.054 176.094 0.004 0.000 1.049 277 V CA 1.977 64.278 62.300 0.002 0.000 1.024 277 V CB -1.411 30.426 31.823 0.023 0.000 0.648 277 V HN 0.349 nan 8.190 nan 0.000 0.447 278 P HA -0.132 nan 4.420 nan 0.000 0.215 278 P C 1.721 179.034 177.300 0.021 0.000 1.153 278 P CA 1.904 65.020 63.100 0.027 0.000 0.853 278 P CB -0.349 31.369 31.700 0.031 0.000 0.788 279 G N -0.063 108.738 108.800 0.002 0.000 2.422 279 G HA2 -0.253 3.775 3.960 0.114 0.000 0.218 279 G HA3 -0.253 3.775 3.960 0.114 0.000 0.218 279 G C 1.644 176.516 174.900 -0.046 0.000 1.146 279 G CA 0.942 46.035 45.100 -0.012 0.000 0.769 279 G HN 0.332 nan 8.290 nan 0.000 0.547 280 A N 0.045 122.824 122.820 -0.069 0.000 1.930 280 A HA 0.132 4.521 4.320 0.114 0.000 0.217 280 A C 2.592 180.131 177.584 -0.075 0.000 1.175 280 A CA 1.639 53.618 52.037 -0.097 0.000 0.627 280 A CB -0.542 18.404 19.000 -0.089 0.000 0.815 280 A HN 0.236 nan 8.150 nan 0.000 0.443 281 V N 0.314 120.209 119.914 -0.031 0.000 2.295 281 V HA -0.226 3.962 4.120 0.114 0.000 0.246 281 V C 2.630 178.711 176.094 -0.021 0.000 1.049 281 V CA 2.212 64.506 62.300 -0.009 0.000 1.024 281 V CB -0.671 31.174 31.823 0.037 0.000 0.648 281 V HN 0.506 nan 8.190 nan 0.000 0.447 282 E N -0.101 120.102 120.200 0.006 0.000 2.051 282 E HA -0.248 4.170 4.350 0.114 0.000 0.192 282 E C 2.182 178.689 176.600 -0.155 0.000 0.991 282 E CA 1.566 57.967 56.400 0.002 0.000 0.799 282 E CB -0.341 29.423 29.700 0.108 0.000 0.748 282 E HN 0.683 nan 8.360 nan 0.000 0.449 283 E N 0.965 121.090 120.200 -0.125 0.000 2.058 283 E HA -0.144 4.274 4.350 0.114 0.000 0.194 283 E C 2.194 178.680 176.600 -0.189 0.000 0.997 283 E CA 1.017 57.309 56.400 -0.180 0.000 0.801 283 E CB -0.406 29.185 29.700 -0.182 0.000 0.746 283 E HN 0.207 nan 8.360 nan 0.000 0.450 284 L N -0.161 120.969 121.223 -0.155 0.000 2.083 284 L HA -0.150 4.258 4.340 0.114 0.000 0.209 284 L C 2.564 179.359 176.870 -0.125 0.000 1.083 284 L CA 0.816 55.591 54.840 -0.107 0.000 0.752 284 L CB -0.401 41.603 42.059 -0.091 0.000 0.899 284 L HN 0.206 nan 8.230 nan 0.000 0.433 285 L N -0.522 120.570 121.223 -0.218 0.000 1.989 285 L HA -0.268 4.140 4.340 0.114 0.000 0.211 285 L C 2.886 179.490 176.870 -0.445 0.000 1.071 285 L CA 1.462 56.086 54.840 -0.360 0.000 0.749 285 L CB -0.555 41.226 42.059 -0.463 0.000 0.890 285 L HN 0.260 nan 8.230 nan 0.000 0.431 286 R N -0.875 119.278 120.500 -0.578 0.000 2.080 286 R HA -0.267 4.141 4.340 0.114 0.000 0.236 286 R C 2.481 178.684 176.300 -0.163 0.000 1.137 286 R CA 2.157 58.003 56.100 -0.423 0.000 0.943 286 R CB -0.543 29.494 30.300 -0.438 0.000 0.846 286 R HN 0.258 nan 8.270 nan 0.000 0.431 287 Y N 0.744 120.894 120.300 -0.250 0.000 2.263 287 Y HA -0.051 4.567 4.550 0.114 0.000 0.292 287 Y C 1.887 177.737 175.900 -0.083 0.000 1.130 287 Y CA 1.417 59.426 58.100 -0.151 0.000 1.179 287 Y CB 0.062 38.426 38.460 -0.161 0.000 0.998 287 Y HN 0.058 nan 8.280 nan 0.000 0.532 288 L N -0.492 120.709 121.223 -0.037 0.000 2.416 288 L HA 0.224 4.632 4.340 0.114 0.000 0.216 288 L C 1.362 178.182 176.870 -0.083 0.000 1.098 288 L CA 0.379 55.179 54.840 -0.066 0.000 0.840 288 L CB -0.723 41.324 42.059 -0.019 0.000 0.981 288 L HN 0.108 nan 8.230 nan 0.000 0.462 289 A N 1.468 124.228 122.820 -0.100 0.000 1.896 289 A HA -0.215 4.173 4.320 0.114 0.000 0.250 289 A C 1.268 178.826 177.584 -0.044 0.000 1.254 289 A CA 1.046 53.037 52.037 -0.078 0.000 0.757 289 A CB -1.689 17.291 19.000 -0.034 0.000 1.154 289 A HN 0.629 nan 8.150 nan 0.000 0.306 290 I N -2.044 118.492 120.570 -0.057 0.000 2.761 290 I HA 0.301 4.539 4.170 0.114 0.000 0.261 290 I C 1.422 177.534 176.117 -0.008 0.000 1.198 290 I CA 1.404 62.685 61.300 -0.032 0.000 1.482 290 I CB 0.162 38.142 38.000 -0.034 0.000 1.100 290 I HN 0.674 nan 8.210 nan 0.000 0.445 291 A N 1.896 124.719 122.820 0.005 0.000 3.213 291 A HA 0.224 4.613 4.320 0.114 0.000 0.308 291 A C 0.954 178.580 177.584 0.069 0.000 1.177 291 A CA -0.099 51.962 52.037 0.041 0.000 1.010 291 A CB -0.784 18.250 19.000 0.057 0.000 1.092 291 A HN 0.514 nan 8.150 nan 0.000 0.583 292 D N 0.189 120.633 120.400 0.073 0.000 2.348 292 D HA -0.141 4.567 4.640 0.114 0.000 0.216 292 D C 0.957 177.344 176.300 0.144 0.000 0.970 292 D CA 1.058 55.122 54.000 0.106 0.000 0.889 292 D CB -0.253 40.623 40.800 0.126 0.000 0.912 292 D HN 0.683 nan 8.370 nan 0.000 0.524 293 I N -4.052 116.609 120.570 0.152 0.000 4.009 293 I HA 0.486 4.724 4.170 0.114 0.000 0.331 293 I C 0.805 177.032 176.117 0.184 0.000 1.462 293 I CA -0.675 60.736 61.300 0.185 0.000 1.117 293 I CB 0.357 38.489 38.000 0.220 0.000 1.091 293 I HN -0.081 nan 8.210 nan 0.000 0.410 294 A N 1.866 124.788 122.820 0.170 0.000 3.051 294 A HA 0.621 5.009 4.320 0.114 0.000 0.257 294 A C 1.096 178.777 177.584 0.161 0.000 1.785 294 A CA 0.359 52.511 52.037 0.192 0.000 1.420 294 A CB -1.317 17.778 19.000 0.158 0.000 1.063 294 A HN 0.658 nan 8.150 nan 0.000 0.630 295 G N -0.257 108.632 108.800 0.148 0.000 4.956 295 G HA2 0.406 4.434 3.960 0.114 0.000 0.263 295 G HA3 0.406 4.434 3.960 0.114 0.000 0.263 295 G C 0.467 175.397 174.900 0.048 0.000 0.958 295 G CA 0.413 45.570 45.100 0.094 0.000 0.749 295 G HN 0.868 nan 8.290 nan 0.000 0.356 296 G N 0.568 109.417 108.800 0.083 0.000 2.432 296 G HA2 0.568 4.596 3.960 0.114 0.000 0.257 296 G HA3 0.568 4.596 3.960 0.114 0.000 0.257 296 G C -0.327 174.524 174.900 -0.081 0.000 1.238 296 G CA -0.181 44.834 45.100 -0.141 0.000 0.838 296 G HN 0.188 nan 8.290 nan 0.000 0.547 297 R N -0.105 120.221 120.500 -0.291 0.000 2.734 297 R HA 0.618 5.026 4.340 0.114 0.000 0.271 297 R C -1.652 174.568 176.300 -0.133 0.000 1.021 297 R CA -0.868 55.195 56.100 -0.061 0.000 0.893 297 R CB 1.741 32.032 30.300 -0.014 0.000 1.244 297 R HN 0.558 nan 8.270 nan 0.000 0.464 298 V N 0.419 120.350 119.914 0.028 0.000 2.638 298 V HA 0.740 4.928 4.120 0.114 0.000 0.306 298 V C -0.680 175.441 176.094 0.044 0.000 1.052 298 V CA -0.633 61.683 62.300 0.028 0.000 0.885 298 V CB 1.782 33.660 31.823 0.091 0.000 0.999 298 V HN 0.916 nan 8.190 nan 0.000 0.424 299 A N 3.888 126.727 122.820 0.031 0.000 2.440 299 A HA 0.533 4.921 4.320 0.114 0.000 0.251 299 A C 1.083 178.690 177.584 0.037 0.000 1.089 299 A CA 0.430 52.485 52.037 0.029 0.000 0.779 299 A CB 0.577 19.589 19.000 0.020 0.000 1.022 299 A HN 1.486 nan 8.150 nan 0.000 0.492 300 T N -1.157 113.418 114.554 0.035 0.000 3.069 300 T HA 0.570 4.989 4.350 0.114 0.000 0.252 300 T C 0.337 175.053 174.700 0.026 0.000 1.053 300 T CA 0.572 62.694 62.100 0.036 0.000 0.964 300 T CB -0.139 68.754 68.868 0.041 0.000 1.005 300 T HN 1.709 nan 8.240 nan 0.000 0.532 301 A N 0.646 123.478 122.820 0.019 0.000 2.612 301 A HA 0.608 4.996 4.320 0.114 0.000 0.293 301 A C -1.723 175.864 177.584 0.005 0.000 1.075 301 A CA -0.949 51.095 52.037 0.012 0.000 0.680 301 A CB 0.861 19.867 19.000 0.010 0.000 1.279 301 A HN 0.161 nan 8.150 nan 0.000 0.411 302 D N 0.350 120.751 120.400 0.001 0.000 2.443 302 D HA 0.465 5.173 4.640 0.114 0.000 0.239 302 D C -0.422 175.863 176.300 -0.025 0.000 1.136 302 D CA 1.125 55.120 54.000 -0.008 0.000 0.879 302 D CB 0.408 41.204 40.800 -0.006 0.000 1.195 302 D HN 0.391 nan 8.370 nan 0.000 0.443 303 I N 1.478 122.019 120.570 -0.048 0.000 2.478 303 I HA 0.157 4.395 4.170 0.114 0.000 0.287 303 I C -0.011 176.046 176.117 -0.101 0.000 1.042 303 I CA -0.746 60.512 61.300 -0.069 0.000 1.067 303 I CB 1.790 39.742 38.000 -0.080 0.000 1.233 303 I HN 0.083 nan 8.210 nan 0.000 0.431 304 E N 5.710 125.858 120.200 -0.086 0.000 2.194 304 E HA 0.380 4.798 4.350 0.114 0.000 0.284 304 E C -0.982 175.546 176.600 -0.120 0.000 1.035 304 E CA -0.476 55.865 56.400 -0.100 0.000 0.836 304 E CB 1.896 31.555 29.700 -0.069 0.000 1.070 304 E HN 0.272 nan 8.360 nan 0.000 0.401 305 V N 3.511 123.328 119.914 -0.162 0.000 2.340 305 V HA 0.083 4.271 4.120 0.114 0.000 0.277 305 V C -0.119 175.885 176.094 -0.149 0.000 1.017 305 V CA -0.715 61.482 62.300 -0.171 0.000 0.820 305 V CB 0.324 32.000 31.823 -0.244 0.000 1.028 305 V HN 0.827 nan 8.190 nan 0.000 0.436 306 E N 3.377 123.513 120.200 -0.106 0.000 2.183 306 E HA -0.292 4.126 4.350 0.114 0.000 0.196 306 E C 1.374 177.925 176.600 -0.081 0.000 1.364 306 E CA 0.637 56.987 56.400 -0.083 0.000 0.700 306 E CB -1.148 28.506 29.700 -0.077 0.000 1.106 306 E HN 1.444 nan 8.360 nan 0.000 0.347 307 G N -0.053 108.701 108.800 -0.076 0.000 2.234 307 G HA2 -0.371 3.657 3.960 0.114 0.000 0.260 307 G HA3 -0.371 3.657 3.960 0.114 0.000 0.260 307 G C 0.187 175.040 174.900 -0.078 0.000 0.987 307 G CA 0.716 45.778 45.100 -0.064 0.000 0.625 307 G HN 0.401 nan 8.290 nan 0.000 0.532 308 Q N -0.506 119.217 119.800 -0.128 0.000 2.235 308 Q HA 0.727 5.135 4.340 0.114 0.000 0.256 308 Q C -0.798 175.073 176.000 -0.215 0.000 0.951 308 Q CA -0.853 54.841 55.803 -0.181 0.000 0.890 308 Q CB 2.485 31.039 28.738 -0.306 0.000 1.279 308 Q HN 0.330 nan 8.270 nan 0.000 0.444 309 L N 2.433 123.548 121.223 -0.181 0.000 2.325 309 L HA 0.466 4.874 4.340 0.114 0.000 0.281 309 L C -1.260 175.503 176.870 -0.178 0.000 1.004 309 L CA -0.275 54.480 54.840 -0.142 0.000 0.823 309 L CB 1.225 43.260 42.059 -0.041 0.000 1.236 309 L HN 0.561 nan 8.230 nan 0.000 0.415 310 I N 5.508 125.937 120.570 -0.234 0.000 2.312 310 I HA 0.362 4.600 4.170 0.114 0.000 0.291 310 I C 0.286 176.401 176.117 -0.004 0.000 1.031 310 I CA -0.400 60.809 61.300 -0.153 0.000 1.293 310 I CB 0.608 38.459 38.000 -0.248 0.000 1.403 310 I HN 0.563 nan 8.210 nan 0.000 0.484 311 R N 4.444 125.001 120.500 0.095 0.000 2.500 311 R HA 0.596 5.004 4.340 0.114 0.000 0.275 311 R C 0.079 176.411 176.300 0.054 0.000 1.051 311 R CA -0.756 55.383 56.100 0.064 0.000 1.088 311 R CB 1.000 31.346 30.300 0.077 0.000 1.063 311 R HN 0.718 nan 8.270 nan 0.000 0.511 312 A N 1.041 123.881 122.820 0.034 0.000 2.565 312 A HA 0.319 4.708 4.320 0.114 0.000 0.237 312 A C 1.300 178.907 177.584 0.038 0.000 1.053 312 A CA 0.987 53.043 52.037 0.032 0.000 0.755 312 A CB -0.523 18.492 19.000 0.025 0.000 0.980 312 A HN 0.953 nan 8.150 nan 0.000 0.506 313 G N 1.346 110.170 108.800 0.040 0.000 2.195 313 G HA2 -0.195 3.833 3.960 0.114 0.000 0.246 313 G HA3 -0.195 3.833 3.960 0.114 0.000 0.246 313 G C 0.058 174.979 174.900 0.036 0.000 0.984 313 G CA 0.435 45.558 45.100 0.038 0.000 0.633 313 G HN 0.880 nan 8.290 nan 0.000 0.525 314 E N 0.645 120.877 120.200 0.054 0.000 2.343 314 E HA 0.487 4.905 4.350 0.114 0.000 0.269 314 E C 0.861 177.489 176.600 0.046 0.000 1.047 314 E CA -0.047 56.393 56.400 0.067 0.000 0.874 314 E CB 1.103 30.907 29.700 0.173 0.000 1.033 314 E HN 0.349 nan 8.360 nan 0.000 0.409 315 G N 0.932 109.727 108.800 -0.008 0.000 2.415 315 G HA2 0.402 4.430 3.960 0.114 0.000 0.269 315 G HA3 0.402 4.430 3.960 0.114 0.000 0.269 315 G C -0.646 174.239 174.900 -0.026 0.000 1.209 315 G CA -0.342 44.704 45.100 -0.090 0.000 0.835 315 G HN 0.264 nan 8.290 nan 0.000 0.534 316 V N 3.237 123.096 119.914 -0.091 0.000 2.577 316 V HA 0.367 4.555 4.120 0.114 0.000 0.303 316 V C -0.266 175.740 176.094 -0.146 0.000 1.042 316 V CA -0.547 61.724 62.300 -0.048 0.000 0.872 316 V CB 1.670 33.476 31.823 -0.028 0.000 0.998 316 V HN 0.659 nan 8.190 nan 0.000 0.423 317 I N 4.697 125.172 120.570 -0.159 0.000 2.330 317 I HA 0.362 4.601 4.170 0.114 0.000 0.289 317 I C -0.199 175.842 176.117 -0.127 0.000 1.001 317 I CA -0.808 60.392 61.300 -0.167 0.000 1.193 317 I CB 1.851 39.721 38.000 -0.216 0.000 1.345 317 I HN 0.302 nan 8.210 nan 0.000 0.461 318 V N 7.625 127.501 119.914 -0.063 0.000 2.387 318 V HA 0.095 4.283 4.120 0.114 0.000 0.260 318 V C 0.326 176.415 176.094 -0.008 0.000 1.054 318 V CA -0.446 61.831 62.300 -0.038 0.000 0.967 318 V CB 0.786 32.605 31.823 -0.006 0.000 1.036 318 V HN 0.405 nan 8.190 nan 0.000 0.481 319 V N 6.316 126.212 119.914 -0.031 0.000 2.353 319 V HA 0.148 4.336 4.120 0.114 0.000 0.264 319 V C 1.183 177.301 176.094 0.039 0.000 1.049 319 V CA -0.317 61.992 62.300 0.016 0.000 0.896 319 V CB 0.720 32.516 31.823 -0.046 0.000 1.025 319 V HN 1.061 nan 8.190 nan 0.000 0.475 320 N N 3.314 122.057 118.700 0.071 0.000 2.409 320 N HA -0.145 4.664 4.740 0.114 0.000 0.179 320 N C 1.759 177.323 175.510 0.091 0.000 1.032 320 N CA 1.017 54.116 53.050 0.083 0.000 0.898 320 N CB -0.153 38.390 38.487 0.094 0.000 0.971 320 N HN 0.590 nan 8.380 nan 0.000 0.441 321 S N 0.981 116.735 115.700 0.091 0.000 2.356 321 S HA -0.088 4.450 4.470 0.114 0.000 0.223 321 S C 1.901 176.561 174.600 0.100 0.000 1.032 321 S CA 0.763 59.015 58.200 0.087 0.000 1.005 321 S CB -0.865 62.409 63.200 0.123 0.000 0.867 321 S HN 0.323 nan 8.310 nan 0.000 0.449 322 I N 2.547 123.178 120.570 0.102 0.000 2.179 322 I HA -0.153 4.085 4.170 0.114 0.000 0.242 322 I C 3.086 179.266 176.117 0.105 0.000 1.088 322 I CA 1.261 62.614 61.300 0.087 0.000 1.357 322 I CB -0.650 37.361 38.000 0.019 0.000 1.051 322 I HN 0.433 nan 8.210 nan 0.000 0.409 323 A N 0.650 123.535 122.820 0.108 0.000 1.972 323 A HA -0.187 4.201 4.320 0.114 0.000 0.219 323 A C 1.927 179.692 177.584 0.301 0.000 1.169 323 A CA 1.721 53.858 52.037 0.167 0.000 0.635 323 A CB -0.609 18.450 19.000 0.099 0.000 0.810 323 A HN 0.407 nan 8.150 nan 0.000 0.446 324 N N -0.236 118.609 118.700 0.241 0.000 2.512 324 N HA -0.044 4.764 4.740 0.114 0.000 0.183 324 N C 0.777 176.395 175.510 0.181 0.000 1.073 324 N CA 0.538 53.723 53.050 0.225 0.000 0.911 324 N CB -0.070 38.460 38.487 0.072 0.000 0.964 324 N HN 0.267 nan 8.380 nan 0.000 0.447 325 R N 0.652 121.261 120.500 0.182 0.000 2.586 325 R HA 0.125 4.533 4.340 0.114 0.000 0.306 325 R C -0.428 175.988 176.300 0.193 0.000 1.079 325 R CA -0.241 55.962 56.100 0.170 0.000 1.083 325 R CB -0.525 29.842 30.300 0.111 0.000 1.306 325 R HN 0.081 nan 8.270 nan 0.000 0.567 326 D N 0.406 120.954 120.400 0.248 0.000 2.352 326 D HA 0.076 4.784 4.640 0.114 0.000 0.245 326 D C 1.205 177.577 176.300 0.120 0.000 1.224 326 D CA 0.017 54.115 54.000 0.163 0.000 0.879 326 D CB 1.083 41.980 40.800 0.161 0.000 1.057 326 D HN 0.292 nan 8.370 nan 0.000 0.491 327 G N 2.612 111.465 108.800 0.090 0.000 2.498 327 G HA2 -0.252 3.776 3.960 0.114 0.000 0.219 327 G HA3 -0.252 3.776 3.960 0.114 0.000 0.219 327 G C 1.429 176.330 174.900 0.001 0.000 1.119 327 G CA 1.266 46.404 45.100 0.064 0.000 0.766 327 G HN 0.592 nan 8.290 nan 0.000 0.552 328 T N -1.946 112.593 114.554 -0.026 0.000 3.035 328 T HA 0.070 4.488 4.350 0.114 0.000 0.268 328 T C 1.987 176.589 174.700 -0.163 0.000 1.109 328 T CA 1.193 63.251 62.100 -0.070 0.000 1.119 328 T CB 0.194 69.031 68.868 -0.052 0.000 0.900 328 T HN 0.050 nan 8.240 nan 0.000 0.503 329 V N -1.409 118.342 119.914 -0.273 0.000 2.908 329 V HA 0.304 4.492 4.120 0.114 0.000 0.240 329 V C -0.032 175.639 176.094 -0.705 0.000 1.117 329 V CA -0.039 61.897 62.300 -0.607 0.000 1.133 329 V CB -0.227 30.968 31.823 -1.048 0.000 0.857 329 V HN 0.424 nan 8.190 nan 0.000 0.478 330 Y N 0.996 121.272 120.300 -0.040 0.000 2.464 330 Y HA 0.484 5.101 4.550 0.112 0.000 0.326 330 Y C 0.298 176.207 175.900 0.015 0.000 0.969 330 Y CA -1.248 56.852 58.100 -0.000 0.000 1.270 330 Y CB 0.530 39.004 38.460 0.024 0.000 1.103 330 Y HN 0.122 nan 8.280 nan 0.000 0.491 331 E N 4.241 124.507 120.200 0.110 0.000 2.465 331 E HA -0.078 4.340 4.350 0.114 0.000 0.260 331 E C -0.497 176.160 176.600 0.096 0.000 0.980 331 E CA 0.347 56.792 56.400 0.076 0.000 0.927 331 E CB 0.288 30.018 29.700 0.050 0.000 0.934 331 E HN 0.667 nan 8.360 nan 0.000 0.459 332 D N 4.514 124.965 120.400 0.084 0.000 2.927 332 D HA -0.139 4.569 4.640 0.114 0.000 0.236 332 D C -1.782 174.591 176.300 0.122 0.000 1.163 332 D CA 0.282 54.336 54.000 0.090 0.000 0.801 332 D CB -0.421 40.421 40.800 0.071 0.000 0.975 332 D HN 0.502 nan 8.370 nan 0.000 0.413 333 P HA -0.145 nan 4.420 nan 0.000 0.220 333 P C 0.813 178.241 177.300 0.214 0.000 1.148 333 P CA 0.994 64.208 63.100 0.189 0.000 0.803 333 P CB 0.363 32.175 31.700 0.187 0.000 0.782 334 D N -0.425 120.098 120.400 0.206 0.000 2.340 334 D HA 0.152 4.860 4.640 0.114 0.000 0.220 334 D C 0.804 177.333 176.300 0.382 0.000 1.039 334 D CA 0.187 54.355 54.000 0.281 0.000 0.866 334 D CB -0.010 40.896 40.800 0.177 0.000 0.913 334 D HN 0.134 nan 8.370 nan 0.000 0.523 335 A N 0.885 123.834 122.820 0.215 0.000 2.301 335 A HA 0.398 4.786 4.320 0.114 0.000 0.298 335 A C -0.147 177.294 177.584 -0.237 0.000 1.185 335 A CA -0.553 51.524 52.037 0.067 0.000 0.830 335 A CB 0.549 19.574 19.000 0.041 0.000 1.112 335 A HN 0.170 nan 8.150 nan 0.000 0.508 336 L N 2.338 123.197 121.223 -0.606 0.000 2.410 336 L HA 0.401 4.809 4.340 0.114 0.000 0.273 336 L C -0.567 176.019 176.870 -0.472 0.000 1.144 336 L CA 0.609 54.851 54.840 -0.996 0.000 0.863 336 L CB 0.560 41.803 42.059 -1.360 0.000 1.140 336 L HN 0.662 nan 8.230 nan 0.000 0.463 337 D N 4.147 124.335 120.400 -0.355 0.000 2.336 337 D HA 0.141 4.849 4.640 0.114 0.000 0.248 337 D C 0.905 177.125 176.300 -0.133 0.000 1.326 337 D CA -0.355 53.556 54.000 -0.148 0.000 0.973 337 D CB 0.570 41.343 40.800 -0.045 0.000 1.255 337 D HN 0.549 nan 8.370 nan 0.000 0.558 338 I N 0.428 120.897 120.570 -0.170 0.000 2.850 338 I HA -0.081 4.157 4.170 0.114 0.000 0.266 338 I C 0.676 176.629 176.117 -0.273 0.000 1.257 338 I CA 0.956 62.110 61.300 -0.243 0.000 1.465 338 I CB -0.105 37.723 38.000 -0.287 0.000 1.091 338 I HN 0.290 nan 8.210 nan 0.000 0.467 339 H N 1.960 121.003 119.070 -0.046 0.000 2.575 339 H HA 0.196 4.820 4.556 0.114 0.000 0.267 339 H C 0.934 176.260 175.328 -0.003 0.000 0.966 339 H CA -0.217 55.821 56.048 -0.017 0.000 1.165 339 H CB 0.040 29.795 29.762 -0.011 0.000 1.433 339 H HN 0.497 nan 8.280 nan 0.000 0.544 340 R N 1.292 121.847 120.500 0.092 0.000 2.801 340 R HA 0.148 4.556 4.340 0.114 0.000 0.273 340 R C 0.179 176.532 176.300 0.088 0.000 1.080 340 R CA -0.192 55.959 56.100 0.085 0.000 1.197 340 R CB 0.452 30.795 30.300 0.072 0.000 1.109 340 R HN -0.127 nan 8.270 nan 0.000 0.535 341 S N 0.224 115.996 115.700 0.121 0.000 2.422 341 S HA 0.326 4.864 4.470 0.114 0.000 0.283 341 S C 0.443 175.180 174.600 0.228 0.000 1.163 341 S CA -0.240 58.047 58.200 0.144 0.000 1.054 341 S CB 0.548 63.833 63.200 0.141 0.000 0.967 341 S HN 0.692 nan 8.310 nan 0.000 0.499 342 A N 5.889 128.815 122.820 0.177 0.000 2.379 342 A HA 0.289 4.677 4.320 0.114 0.000 0.236 342 A C 0.859 178.654 177.584 0.352 0.000 1.272 342 A CA -0.381 51.776 52.037 0.200 0.000 0.886 342 A CB -0.074 18.928 19.000 0.005 0.000 0.962 342 A HN 0.844 nan 8.150 nan 0.000 0.504 343 R N 0.288 120.943 120.500 0.259 0.000 2.678 343 R HA 0.050 4.458 4.340 0.114 0.000 0.264 343 R C 0.106 176.522 176.300 0.194 0.000 0.995 343 R CA 0.652 56.788 56.100 0.059 0.000 1.098 343 R CB -0.115 30.086 30.300 -0.165 0.000 0.949 343 R HN 0.627 nan 8.270 nan 0.000 0.422 344 H N -2.218 116.981 119.070 0.215 0.000 3.428 344 H HA -0.172 4.451 4.556 0.112 0.000 0.204 344 H C 0.182 175.759 175.328 0.414 0.000 1.078 344 H CA 1.116 57.318 56.048 0.255 0.000 1.183 344 H CB -2.237 27.660 29.762 0.224 0.000 1.132 344 H HN 0.902 nan 8.280 nan 0.000 0.323 345 H N -0.094 119.258 119.070 0.471 0.000 2.757 345 H HA 0.395 5.019 4.556 0.114 0.000 0.370 345 H C 1.113 176.623 175.328 0.303 0.000 1.172 345 H CA -0.047 56.233 56.048 0.388 0.000 1.426 345 H CB 0.497 30.321 29.762 0.104 0.000 1.438 345 H HN 0.180 nan 8.280 nan 0.000 0.612 346 L N 1.896 123.346 121.223 0.378 0.000 2.965 346 L HA 0.332 4.740 4.340 0.114 0.000 0.254 346 L C 1.954 178.962 176.870 0.230 0.000 1.220 346 L CA 0.307 55.291 54.840 0.239 0.000 1.023 346 L CB -0.032 42.111 42.059 0.139 0.000 1.355 346 L HN 0.927 nan 8.230 nan 0.000 0.545 347 A N -0.017 122.993 122.820 0.317 0.000 2.019 347 A HA -0.117 4.271 4.320 0.114 0.000 0.219 347 A C 1.489 179.010 177.584 -0.106 0.000 1.164 347 A CA 1.543 53.572 52.037 -0.014 0.000 0.644 347 A CB -0.399 18.427 19.000 -0.290 0.000 0.805 347 A HN 0.394 nan 8.150 nan 0.000 0.449 348 F N -0.588 119.493 119.950 0.218 0.000 2.641 348 F HA 0.434 5.027 4.527 0.110 0.000 0.302 348 F C 1.602 177.479 175.800 0.128 0.000 1.098 348 F CA 0.041 58.127 58.000 0.144 0.000 1.318 348 F CB -0.391 38.680 39.000 0.118 0.000 1.035 348 F HN 0.429 nan 8.300 nan 0.000 0.551 349 G N 1.074 110.040 108.800 0.276 0.000 2.598 349 G HA2 -0.227 3.801 3.960 0.114 0.000 0.244 349 G HA3 -0.227 3.801 3.960 0.114 0.000 0.244 349 G C -0.983 174.100 174.900 0.305 0.000 1.302 349 G CA -0.157 45.092 45.100 0.248 0.000 0.903 349 G HN 0.337 nan 8.290 nan 0.000 0.575 350 F N -0.193 119.817 119.950 0.100 0.000 2.672 350 F HA 0.619 5.214 4.527 0.112 0.000 0.311 350 F C 0.668 176.511 175.800 0.071 0.000 1.113 350 F CA 1.692 59.735 58.000 0.072 0.000 0.996 350 F CB 1.169 40.191 39.000 0.036 0.000 1.286 350 F HN 2.554 nan 8.300 nan 0.000 0.441 351 G N 2.791 111.049 108.800 -0.904 0.000 2.484 351 G HA2 -0.141 3.888 3.960 0.114 0.000 0.225 351 G HA3 -0.141 3.888 3.960 0.114 0.000 0.225 351 G C 0.541 175.287 174.900 -0.256 0.000 1.250 351 G CA 0.394 45.121 45.100 -0.621 0.000 0.926 351 G HN 1.871 nan 8.290 nan 0.000 0.581 352 V N -2.595 117.226 119.914 -0.156 0.000 2.626 352 V HA 0.049 4.238 4.120 0.114 0.000 0.252 352 V C 1.883 177.856 176.094 -0.201 0.000 1.067 352 V CA 2.618 64.809 62.300 -0.180 0.000 1.081 352 V CB -0.686 30.987 31.823 -0.251 0.000 0.686 352 V HN 0.739 nan 8.190 nan 0.000 0.468 353 H N 0.297 119.329 119.070 -0.063 0.000 2.517 353 H HA 0.298 4.896 4.556 0.069 0.000 0.282 353 H C 0.986 176.366 175.328 0.087 0.000 1.023 353 H CA -0.023 56.053 56.048 0.046 0.000 1.169 353 H CB 0.208 29.981 29.762 0.018 0.000 1.454 353 H HN 0.622 nan 8.280 nan 0.000 0.556 354 Q N 1.169 121.036 119.800 0.111 0.000 2.304 354 Q HA -0.035 4.373 4.340 0.114 0.000 0.301 354 Q C 0.060 176.117 176.000 0.095 0.000 1.063 354 Q CA -0.122 55.739 55.803 0.098 0.000 0.947 354 Q CB 0.643 29.381 28.738 0.001 0.000 1.201 354 Q HN 0.403 nan 8.270 nan 0.000 0.389 355 C N 5.603 124.980 119.300 0.128 0.000 2.298 355 C HA -0.113 4.415 4.460 0.114 0.000 0.395 355 C C 1.837 176.780 174.990 -0.078 0.000 1.526 355 C CA -0.207 58.855 59.018 0.073 0.000 1.458 355 C CB -1.289 26.556 27.740 0.174 0.000 2.506 355 C HN 1.029 nan 8.230 nan 0.000 0.604 356 L N 6.053 127.224 121.223 -0.086 0.000 2.083 356 L HA 0.146 4.554 4.340 0.114 0.000 0.209 356 L C 2.207 178.820 176.870 -0.429 0.000 1.083 356 L CA 2.501 57.194 54.840 -0.245 0.000 0.752 356 L CB -0.539 41.354 42.059 -0.276 0.000 0.899 356 L HN 0.889 nan 8.230 nan 0.000 0.433 357 G N -1.525 107.057 108.800 -0.364 0.000 3.141 357 G HA2 -0.008 4.020 3.960 0.114 0.000 0.218 357 G HA3 -0.008 4.020 3.960 0.114 0.000 0.218 357 G C 1.150 175.960 174.900 -0.150 0.000 1.170 357 G CA 0.338 45.295 45.100 -0.237 0.000 0.769 357 G HN 0.640 nan 8.290 nan 0.000 0.546 358 Q N 0.554 120.127 119.800 -0.377 0.000 2.096 358 Q HA -0.148 4.260 4.340 0.114 0.000 0.204 358 Q C 1.726 177.469 176.000 -0.429 0.000 0.982 358 Q CA 1.358 56.642 55.803 -0.865 0.000 0.850 358 Q CB -0.376 27.474 28.738 -1.479 0.000 0.901 358 Q HN 0.226 nan 8.270 nan 0.000 0.422 359 N N 0.630 119.207 118.700 -0.205 0.000 2.354 359 N HA -0.062 4.746 4.740 0.114 0.000 0.179 359 N C 1.721 177.243 175.510 0.020 0.000 1.021 359 N CA 0.673 53.685 53.050 -0.064 0.000 0.887 359 N CB -0.123 38.346 38.487 -0.031 0.000 0.974 359 N HN 0.218 nan 8.380 nan 0.000 0.437 360 L N 1.359 122.625 121.223 0.072 0.000 2.017 360 L HA -0.001 4.407 4.340 0.114 0.000 0.208 360 L C 2.107 179.027 176.870 0.084 0.000 1.073 360 L CA 1.495 56.397 54.840 0.104 0.000 0.745 360 L CB -0.960 41.221 42.059 0.204 0.000 0.894 360 L HN 0.094 nan 8.230 nan 0.000 0.432 361 A N -0.305 122.570 122.820 0.091 0.000 1.902 361 A HA -0.232 4.156 4.320 0.114 0.000 0.217 361 A C 2.406 180.073 177.584 0.139 0.000 1.181 361 A CA 1.892 54.011 52.037 0.136 0.000 0.623 361 A CB -0.565 18.583 19.000 0.247 0.000 0.818 361 A HN 0.522 nan 8.150 nan 0.000 0.443 362 R N -1.111 119.468 120.500 0.132 0.000 2.083 362 R HA -0.129 4.279 4.340 0.114 0.000 0.237 362 R C 2.173 178.522 176.300 0.081 0.000 1.137 362 R CA 1.501 57.677 56.100 0.126 0.000 0.951 362 R CB -0.628 29.739 30.300 0.112 0.000 0.851 362 R HN 0.522 nan 8.270 nan 0.000 0.434 363 L N 1.575 122.835 121.223 0.061 0.000 2.017 363 L HA -0.158 4.250 4.340 0.114 0.000 0.208 363 L C 1.798 178.695 176.870 0.045 0.000 1.073 363 L CA 1.847 56.715 54.840 0.047 0.000 0.745 363 L CB -0.322 41.759 42.059 0.037 0.000 0.894 363 L HN 0.116 nan 8.230 nan 0.000 0.432 364 E N -0.400 119.826 120.200 0.042 0.000 2.085 364 E HA -0.235 4.183 4.350 0.114 0.000 0.194 364 E C 2.246 178.861 176.600 0.026 0.000 0.994 364 E CA 1.757 58.170 56.400 0.022 0.000 0.801 364 E CB -0.313 29.392 29.700 0.008 0.000 0.743 364 E HN 0.534 nan 8.360 nan 0.000 0.453 365 L N 1.007 122.257 121.223 0.044 0.000 2.093 365 L HA -0.155 4.253 4.340 0.114 0.000 0.208 365 L C 2.740 179.640 176.870 0.050 0.000 1.085 365 L CA 0.837 55.704 54.840 0.045 0.000 0.755 365 L CB -0.396 41.696 42.059 0.055 0.000 0.904 365 L HN 0.170 nan 8.230 nan 0.000 0.435 366 E N 0.777 121.009 120.200 0.053 0.000 2.031 366 E HA -0.193 4.225 4.350 0.114 0.000 0.193 366 E C 2.193 178.827 176.600 0.057 0.000 0.994 366 E CA 1.891 58.322 56.400 0.052 0.000 0.800 366 E CB -0.085 29.644 29.700 0.049 0.000 0.752 366 E HN 0.271 nan 8.360 nan 0.000 0.447 367 V N 1.637 121.584 119.914 0.056 0.000 2.287 367 V HA -0.282 3.907 4.120 0.114 0.000 0.248 367 V C 2.708 178.841 176.094 0.065 0.000 1.053 367 V CA 1.954 64.293 62.300 0.066 0.000 1.027 367 V CB -0.518 31.342 31.823 0.062 0.000 0.646 367 V HN 0.268 nan 8.190 nan 0.000 0.447 368 I N -0.572 120.040 120.570 0.071 0.000 2.163 368 I HA -0.280 3.958 4.170 0.114 0.000 0.243 368 I C 2.336 178.527 176.117 0.124 0.000 1.085 368 I CA 1.699 63.078 61.300 0.132 0.000 1.347 368 I CB -0.326 37.745 38.000 0.119 0.000 1.044 368 I HN 0.249 nan 8.210 nan 0.000 0.408 369 L N 0.095 121.376 121.223 0.097 0.000 2.046 369 L HA -0.216 4.192 4.340 0.114 0.000 0.208 369 L C 2.352 179.281 176.870 0.099 0.000 1.077 369 L CA 1.205 56.108 54.840 0.105 0.000 0.747 369 L CB -0.811 41.304 42.059 0.093 0.000 0.896 369 L HN 0.327 nan 8.230 nan 0.000 0.432 370 N N 0.329 119.075 118.700 0.076 0.000 2.104 370 N HA -0.170 4.638 4.740 0.114 0.000 0.190 370 N C 1.834 177.378 175.510 0.056 0.000 1.024 370 N CA 1.652 54.741 53.050 0.065 0.000 0.853 370 N CB -0.151 38.378 38.487 0.069 0.000 1.008 370 N HN 0.331 nan 8.380 nan 0.000 0.424 371 A N 0.931 123.770 122.820 0.031 0.000 1.930 371 A HA -0.011 4.377 4.320 0.114 0.000 0.217 371 A C 2.406 179.940 177.584 -0.084 0.000 1.175 371 A CA 0.754 52.757 52.037 -0.058 0.000 0.627 371 A CB -0.549 18.254 19.000 -0.327 0.000 0.815 371 A HN 0.204 nan 8.150 nan 0.000 0.443 372 L N -1.143 120.046 121.223 -0.056 0.000 2.056 372 L HA -0.151 4.257 4.340 0.114 0.000 0.207 372 L C 2.808 179.659 176.870 -0.031 0.000 1.078 372 L CA 1.258 56.047 54.840 -0.085 0.000 0.749 372 L CB -0.483 41.560 42.059 -0.027 0.000 0.901 372 L HN 0.388 nan 8.230 nan 0.000 0.433 373 M N -0.597 119.012 119.600 0.016 0.000 2.159 373 M HA -0.191 4.357 4.480 0.114 0.000 0.263 373 M C 1.628 177.896 176.300 -0.054 0.000 1.063 373 M CA 1.458 56.734 55.300 -0.041 0.000 1.110 373 M CB -0.457 32.113 32.600 -0.050 0.000 1.374 373 M HN 0.202 nan 8.290 nan 0.000 0.411 374 D N -0.073 120.314 120.400 -0.022 0.000 2.120 374 D HA -0.047 4.661 4.640 0.114 0.000 0.202 374 D C 2.206 178.489 176.300 -0.028 0.000 0.972 374 D CA 1.088 55.083 54.000 -0.008 0.000 0.837 374 D CB -0.067 40.763 40.800 0.050 0.000 0.989 374 D HN 0.230 nan 8.370 nan 0.000 0.469 375 R N -0.184 120.287 120.500 -0.048 0.000 2.156 375 R HA 0.157 4.565 4.340 0.114 0.000 0.207 375 R C 0.531 176.737 176.300 -0.158 0.000 1.040 375 R CA 0.188 56.236 56.100 -0.086 0.000 1.013 375 R CB 0.618 30.860 30.300 -0.097 0.000 0.931 375 R HN 0.019 nan 8.270 nan 0.000 0.465 376 V N 3.896 123.707 119.914 -0.171 0.000 2.575 376 V HA 0.193 4.381 4.120 0.114 0.000 0.281 376 V C -2.082 173.963 176.094 -0.081 0.000 1.087 376 V CA -1.388 60.796 62.300 -0.194 0.000 1.193 376 V CB 1.487 33.073 31.823 -0.394 0.000 1.426 376 V HN -0.028 nan 8.190 nan 0.000 0.623 377 P HA -0.085 nan 4.420 nan 0.000 0.225 377 P C 1.205 178.500 177.300 -0.008 0.000 1.148 377 P CA 1.543 64.606 63.100 -0.061 0.000 0.779 377 P CB -0.099 31.551 31.700 -0.083 0.000 0.780 378 T N -3.820 110.760 114.554 0.043 0.000 3.122 378 T HA 0.154 4.572 4.350 0.114 0.000 0.250 378 T C 0.663 175.473 174.700 0.182 0.000 1.067 378 T CA -0.560 61.606 62.100 0.111 0.000 0.966 378 T CB -0.833 68.128 68.868 0.155 0.000 1.002 378 T HN -0.138 nan 8.240 nan 0.000 0.542 379 L N 3.691 125.015 121.223 0.167 0.000 2.615 379 L HA 0.230 4.638 4.340 0.114 0.000 0.284 379 L C 0.346 177.333 176.870 0.195 0.000 1.237 379 L CA 0.578 55.543 54.840 0.210 0.000 0.905 379 L CB 0.020 42.156 42.059 0.128 0.000 1.149 379 L HN 0.566 nan 8.230 nan 0.000 0.499 380 R N 4.272 124.887 120.500 0.192 0.000 2.764 380 R HA 0.582 4.990 4.340 0.114 0.000 0.270 380 R C -1.488 174.886 176.300 0.123 0.000 1.014 380 R CA -1.170 55.015 56.100 0.142 0.000 0.904 380 R CB 0.694 31.067 30.300 0.121 0.000 1.236 380 R HN 0.492 nan 8.270 nan 0.000 0.466 381 L N 1.441 122.720 121.223 0.093 0.000 2.426 381 L HA 0.230 4.638 4.340 0.114 0.000 0.271 381 L C 1.223 178.128 176.870 0.058 0.000 1.169 381 L CA 0.006 54.891 54.840 0.074 0.000 0.836 381 L CB 1.175 43.271 42.059 0.061 0.000 1.112 381 L HN 1.031 nan 8.230 nan 0.000 0.465 382 A N 3.439 126.286 122.820 0.045 0.000 2.218 382 A HA 0.273 4.662 4.320 0.114 0.000 0.209 382 A C 0.447 178.041 177.584 0.017 0.000 1.168 382 A CA 0.284 52.335 52.037 0.023 0.000 0.804 382 A CB 0.021 19.025 19.000 0.006 0.000 0.834 382 A HN 0.529 nan 8.150 nan 0.000 0.482 383 V N -4.517 115.410 119.914 0.022 0.000 3.040 383 V HA 0.664 4.852 4.120 0.114 0.000 0.312 383 V C -3.338 172.767 176.094 0.019 0.000 1.115 383 V CA -2.902 59.407 62.300 0.015 0.000 0.998 383 V CB 1.354 33.183 31.823 0.011 0.000 1.042 383 V HN 0.014 nan 8.190 nan 0.000 0.433 384 P HA 0.230 nan 4.420 nan 0.000 0.268 384 P C 1.093 178.400 177.300 0.011 0.000 1.205 384 P CA -0.042 63.066 63.100 0.012 0.000 0.771 384 P CB 0.925 32.628 31.700 0.004 0.000 0.858 385 V N 2.286 122.210 119.914 0.016 0.000 2.439 385 V HA -0.276 3.912 4.120 0.114 0.000 0.253 385 V C 1.857 177.945 176.094 -0.011 0.000 1.074 385 V CA 2.018 64.326 62.300 0.013 0.000 1.076 385 V CB -1.098 30.741 31.823 0.026 0.000 0.664 385 V HN 0.612 nan 8.190 nan 0.000 0.461 386 E N -0.433 119.758 120.200 -0.015 0.000 2.204 386 E HA -0.192 4.226 4.350 0.114 0.000 0.194 386 E C 2.165 178.751 176.600 -0.023 0.000 0.989 386 E CA 0.813 57.198 56.400 -0.026 0.000 0.824 386 E CB -0.167 29.519 29.700 -0.022 0.000 0.756 386 E HN 0.658 nan 8.360 nan 0.000 0.477 387 Q N -0.157 119.634 119.800 -0.014 0.000 2.425 387 Q HA 0.122 4.530 4.340 0.114 0.000 0.204 387 Q C 0.008 176.000 176.000 -0.013 0.000 0.933 387 Q CA -0.051 55.744 55.803 -0.013 0.000 0.939 387 Q CB 0.287 29.021 28.738 -0.007 0.000 1.044 387 Q HN 0.276 nan 8.270 nan 0.000 0.513 388 L N 0.947 122.162 121.223 -0.013 0.000 2.439 388 L HA 0.149 4.557 4.340 0.114 0.000 0.269 388 L C -0.119 176.736 176.870 -0.025 0.000 1.179 388 L CA -0.452 54.380 54.840 -0.013 0.000 0.828 388 L CB 0.738 42.793 42.059 -0.007 0.000 1.106 388 L HN -0.155 nan 8.230 nan 0.000 0.467 389 V N 4.325 124.225 119.914 -0.024 0.000 2.328 389 V HA 0.308 4.496 4.120 0.114 0.000 0.278 389 V C 0.260 176.331 176.094 -0.038 0.000 1.021 389 V CA -0.452 61.828 62.300 -0.032 0.000 0.838 389 V CB 1.263 33.070 31.823 -0.028 0.000 0.999 389 V HN 0.467 nan 8.190 nan 0.000 0.447 390 L N 5.280 126.472 121.223 -0.052 0.000 2.326 390 L HA 0.513 4.922 4.340 0.114 0.000 0.278 390 L C 0.860 177.692 176.870 -0.065 0.000 1.092 390 L CA -0.546 54.257 54.840 -0.062 0.000 0.810 390 L CB 0.756 42.766 42.059 -0.083 0.000 1.153 390 L HN 0.575 nan 8.230 nan 0.000 0.439 391 R N 2.819 123.281 120.500 -0.063 0.000 2.734 391 R HA 0.145 4.553 4.340 0.114 0.000 0.266 391 R C -2.109 174.141 176.300 -0.084 0.000 1.044 391 R CA -1.160 54.899 56.100 -0.069 0.000 1.128 391 R CB -0.137 30.123 30.300 -0.067 0.000 1.010 391 R HN 0.419 nan 8.270 nan 0.000 0.461 392 P HA 0.021 nan 4.420 nan 0.000 0.276 392 P C 0.134 177.369 177.300 -0.109 0.000 1.261 392 P CA -0.310 62.731 63.100 -0.099 0.000 0.800 392 P CB 0.626 32.275 31.700 -0.084 0.000 1.066 393 G N -0.221 108.497 108.800 -0.136 0.000 2.776 393 G HA2 -0.120 3.909 3.960 0.114 0.000 0.209 393 G HA3 -0.120 3.909 3.960 0.114 0.000 0.209 393 G C 1.093 175.932 174.900 -0.102 0.000 1.145 393 G CA 0.785 45.800 45.100 -0.141 0.000 0.791 393 G HN 0.642 nan 8.290 nan 0.000 0.530 394 T N -3.373 111.129 114.554 -0.086 0.000 3.081 394 T HA 0.203 4.621 4.350 0.114 0.000 0.255 394 T C 1.021 175.697 174.700 -0.040 0.000 1.113 394 T CA 0.825 62.898 62.100 -0.045 0.000 1.082 394 T CB 0.429 69.265 68.868 -0.053 0.000 0.939 394 T HN 0.122 nan 8.240 nan 0.000 0.506 395 T N 0.517 115.025 114.554 -0.077 0.000 2.773 395 T HA 0.561 4.979 4.350 0.114 0.000 0.278 395 T C -0.714 173.937 174.700 -0.082 0.000 1.011 395 T CA -1.182 60.848 62.100 -0.118 0.000 1.014 395 T CB 0.785 69.563 68.868 -0.150 0.000 1.293 395 T HN 0.045 nan 8.240 nan 0.000 0.554 396 I N 3.366 123.879 120.570 -0.094 0.000 2.683 396 I HA 0.083 4.321 4.170 0.114 0.000 0.286 396 I C 1.013 177.098 176.117 -0.053 0.000 1.175 396 I CA 0.065 61.331 61.300 -0.057 0.000 1.429 396 I CB 0.278 38.245 38.000 -0.055 0.000 1.371 396 I HN 0.637 nan 8.210 nan 0.000 0.569 397 Q N 4.431 124.207 119.800 -0.041 0.000 2.392 397 Q HA 0.500 4.908 4.340 0.114 0.000 0.262 397 Q C 0.593 176.569 176.000 -0.041 0.000 1.003 397 Q CA 0.157 55.931 55.803 -0.048 0.000 0.888 397 Q CB 1.263 29.973 28.738 -0.047 0.000 1.260 397 Q HN 0.971 nan 8.270 nan 0.000 0.435 398 G N -0.637 108.138 108.800 -0.043 0.000 2.351 398 G HA2 0.309 4.337 3.960 0.114 0.000 0.279 398 G HA3 0.309 4.337 3.960 0.114 0.000 0.279 398 G C -1.399 173.483 174.900 -0.029 0.000 1.297 398 G CA -0.220 44.862 45.100 -0.029 0.000 0.886 398 G HN 0.737 nan 8.290 nan 0.000 0.493 399 V N -2.281 117.623 119.914 -0.017 0.000 2.735 399 V HA 0.732 4.920 4.120 0.114 0.000 0.310 399 V C 0.329 176.417 176.094 -0.011 0.000 1.061 399 V CA -0.848 61.444 62.300 -0.014 0.000 0.913 399 V CB 2.000 33.822 31.823 -0.003 0.000 1.005 399 V HN 0.596 nan 8.190 nan 0.000 0.428 400 N N 1.460 120.152 118.700 -0.014 0.000 2.424 400 N HA 0.142 4.950 4.740 0.114 0.000 0.178 400 N C 0.196 175.706 175.510 0.001 0.000 1.060 400 N CA 0.597 53.640 53.050 -0.011 0.000 0.901 400 N CB 0.483 38.958 38.487 -0.020 0.000 0.979 400 N HN 0.923 nan 8.380 nan 0.000 0.451 401 E N 0.172 120.375 120.200 0.006 0.000 2.308 401 E HA 0.332 4.750 4.350 0.114 0.000 0.275 401 E C -1.769 174.846 176.600 0.025 0.000 0.890 401 E CA -0.608 55.802 56.400 0.017 0.000 0.754 401 E CB 1.612 31.319 29.700 0.012 0.000 1.207 401 E HN -0.155 nan 8.360 nan 0.000 0.426 402 L N 5.733 126.981 121.223 0.041 0.000 2.514 402 L HA 0.440 4.848 4.340 0.114 0.000 0.257 402 L C -2.800 174.109 176.870 0.065 0.000 1.101 402 L CA -1.793 53.077 54.840 0.051 0.000 0.911 402 L CB 1.448 43.543 42.059 0.060 0.000 1.162 402 L HN 0.314 nan 8.230 nan 0.000 0.477 403 P HA 0.238 nan 4.420 nan 0.000 0.266 403 P C -0.851 176.488 177.300 0.066 0.000 1.215 403 P CA 0.161 63.291 63.100 0.051 0.000 0.763 403 P CB 0.855 32.572 31.700 0.028 0.000 0.806 404 V N 0.782 120.751 119.914 0.092 0.000 3.102 404 V HA 0.945 5.134 4.120 0.114 0.000 0.312 404 V C -0.442 175.697 176.094 0.075 0.000 1.135 404 V CA -0.564 61.815 62.300 0.132 0.000 1.022 404 V CB 2.151 34.103 31.823 0.216 0.000 1.056 404 V HN 0.524 nan 8.190 nan 0.000 0.436 405 T N 0.720 115.326 114.554 0.087 0.000 2.731 405 T HA 0.854 5.272 4.350 0.114 0.000 0.300 405 T C -1.974 172.792 174.700 0.110 0.000 1.283 405 T CA 0.148 62.136 62.100 -0.187 0.000 1.005 405 T CB 1.791 70.546 68.868 -0.188 0.000 1.420 405 T HN 1.713 nan 8.240 nan 0.000 0.503 406 W N -0.380 120.875 121.300 -0.074 0.000 2.826 406 W HA 0.521 5.249 4.660 0.113 0.000 0.410 406 W C -0.800 175.648 176.519 -0.118 0.000 1.128 406 W CA -1.016 56.298 57.345 -0.053 0.000 1.176 406 W CB -0.048 29.381 29.460 -0.050 0.000 1.475 406 W HN 0.876 nan 8.180 nan 0.000 0.588 407 H N 2.118 121.302 119.070 0.191 0.000 3.231 407 H HA -0.024 4.600 4.556 0.113 0.000 0.280 407 H C -0.359 174.936 175.328 -0.055 0.000 0.901 407 H CA 1.506 57.610 56.048 0.094 0.000 1.414 407 H CB 0.171 30.012 29.762 0.132 0.000 1.433 407 H HN 0.519 nan 8.280 nan 0.000 0.549 408 H N 0.000 118.816 119.070 -0.424 0.000 2.539 408 H HA 0.000 4.624 4.556 0.114 0.000 0.296 408 H CA 0.000 55.810 56.048 -0.397 0.000 1.023 408 H CB 0.000 29.611 29.762 -0.252 0.000 1.292 408 H HN 0.000 nan 8.280 nan 0.000 0.496