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 2v68_1_H DATA FIRST_RESID 10 DATA SEQUENCE GAGFKAGVKD YRLTYYTPDY VVRDTDILAA FRMTPQPGVP PEECGAAVAA DATA SEQUENCE ESSTGTWTTV WTDGLTSLDR YKGRCYDIEP VPGEDNQYIA YVAYXIDLFE DATA SEQUENCE EGSVTNMFTS IVGNVFGFKA LRALRLEDLR IPPAYVKTFV GXPHGIQVER DATA SEQUENCE DKLNKYGRGL LGCTIKPKLG LSAKNYGRAV YECLRGGLDF TXDDENVNSQ DATA SEQUENCE PFMRWRDRFL FVAEAIYKAQ AETGEVKGHY LNATAGTCEE MMKRAVXAKE DATA SEQUENCE LGVPIIMHDY LTGGFTANTS LAIYCRDNGL LLHIHRAMHA VIDRQRNHGI DATA SEQUENCE HFRVLAKALR MSGGDHLHSG TAVGKLEGER EVILGFVDLM RDDYVEKDRS DATA SEQUENCE RGIYFTQDWX SMPGVMPVAS GGIHVWHMPA LVEIFGDDAC LQFGGGTLGH DATA SEQUENCE PWGNAPGAAA NRVALEACTQ ARNEGRDLAR EGGDVIRSAC KWSPELAAAC DATA SEQUENCE EVWKEIKFEF DTIDKL 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 10 G HA2 0.000 nan 3.960 nan 0.000 0.244 10 G HA3 0.000 3.960 3.960 0.001 0.000 0.244 10 G C 0.000 174.918 174.900 0.030 0.000 0.946 10 G CA 0.000 45.113 45.100 0.022 0.000 0.502 11 A N -1.589 121.249 122.820 0.029 0.000 2.302 11 A HA 0.475 4.796 4.320 0.001 0.000 0.634 11 A C 0.922 178.543 177.584 0.062 0.000 0.278 11 A CA 1.049 53.108 52.037 0.036 0.000 0.218 11 A CB -1.171 17.849 19.000 0.033 0.000 3.675 11 A HN 2.563 nan 8.150 nan 0.000 0.507 12 G N 1.325 110.159 108.800 0.057 0.000 2.636 12 G HA2 0.565 4.525 3.960 0.001 0.000 0.246 12 G HA3 0.565 4.525 3.960 0.001 0.000 0.246 12 G C 0.024 175.011 174.900 0.145 0.000 1.216 12 G CA 0.187 45.339 45.100 0.087 0.000 0.854 12 G HN 1.893 nan 8.290 nan 0.000 0.572 13 F N 1.237 121.208 119.950 0.036 0.000 2.504 13 F HA 0.398 4.926 4.527 0.001 0.000 0.369 13 F C 0.410 176.227 175.800 0.028 0.000 1.082 13 F CA -0.657 57.375 58.000 0.054 0.000 1.216 13 F CB 0.832 39.895 39.000 0.105 0.000 1.108 13 F HN 0.143 nan 8.300 nan 0.000 0.554 14 K N 6.288 126.460 120.400 -0.380 0.000 2.425 14 K HA 0.555 4.876 4.320 0.001 0.000 0.259 14 K C -0.758 175.427 176.600 -0.693 0.000 0.978 14 K CA -0.600 55.369 56.287 -0.530 0.000 0.883 14 K CB 1.274 33.646 32.500 -0.214 0.000 1.110 14 K HN 0.836 nan 8.250 nan 0.000 0.436 15 A N 2.365 124.612 122.820 -0.954 0.000 2.462 15 A HA 0.581 4.901 4.320 0.001 0.000 0.243 15 A C 0.500 177.953 177.584 -0.220 0.000 1.076 15 A CA 0.933 52.670 52.037 -0.500 0.000 0.773 15 A CB 0.080 18.874 19.000 -0.343 0.000 1.010 15 A HN 0.917 nan 8.150 nan 0.000 0.493 16 G N -0.568 108.155 108.800 -0.128 0.000 2.355 16 G HA2 0.332 4.293 3.960 0.001 0.000 0.619 16 G HA3 0.332 4.293 3.960 0.001 0.000 0.619 16 G C -0.958 173.874 174.900 -0.113 0.000 1.337 16 G CA -0.438 44.601 45.100 -0.102 0.000 0.993 16 G HN 1.398 nan 8.290 nan 0.000 0.599 17 V N 1.449 121.321 119.914 -0.070 0.000 2.546 17 V HA 0.672 4.792 4.120 0.001 0.000 0.284 17 V C 0.652 176.710 176.094 -0.059 0.000 1.050 17 V CA 0.546 62.809 62.300 -0.062 0.000 0.981 17 V CB 1.172 33.026 31.823 0.052 0.000 0.990 17 V HN 1.072 nan 8.190 nan 0.000 0.474 18 K N 1.757 122.102 120.400 -0.092 0.000 2.466 18 K HA 0.604 4.924 4.320 0.001 0.000 0.260 18 K C -1.420 175.115 176.600 -0.109 0.000 1.011 18 K CA -1.085 55.160 56.287 -0.070 0.000 0.871 18 K CB 1.668 34.139 32.500 -0.048 0.000 1.404 18 K HN 0.330 nan 8.250 nan 0.000 0.450 19 D N 1.099 121.469 120.400 -0.050 0.000 2.488 19 D HA 0.004 4.644 4.640 0.001 0.000 0.238 19 D C 0.560 176.865 176.300 0.008 0.000 1.138 19 D CA 0.279 54.266 54.000 -0.021 0.000 0.873 19 D CB 0.184 41.004 40.800 0.034 0.000 1.183 19 D HN 0.452 nan 8.370 nan 0.000 0.458 20 Y N 1.331 121.690 120.300 0.099 0.000 2.256 20 Y HA -0.216 4.334 4.550 0.001 0.000 0.288 20 Y C 2.389 178.419 175.900 0.217 0.000 1.155 20 Y CA 1.227 59.429 58.100 0.170 0.000 1.203 20 Y CB -0.282 38.208 38.460 0.050 0.000 0.980 20 Y HN 0.463 nan 8.280 nan 0.000 0.530 21 R N 0.479 121.145 120.500 0.276 0.000 2.241 21 R HA -0.119 4.222 4.340 0.001 0.000 0.224 21 R C 1.555 177.971 176.300 0.194 0.000 1.101 21 R CA 1.443 57.680 56.100 0.228 0.000 0.995 21 R CB -0.956 29.416 30.300 0.120 0.000 0.870 21 R HN 0.368 nan 8.270 nan 0.000 0.463 22 L N 0.615 121.918 121.223 0.134 0.000 2.201 22 L HA -0.035 4.305 4.340 0.001 0.000 0.212 22 L C 1.444 178.320 176.870 0.010 0.000 1.105 22 L CA 1.320 56.200 54.840 0.067 0.000 0.775 22 L CB -0.096 41.986 42.059 0.039 0.000 0.913 22 L HN 0.293 nan 8.230 nan 0.000 0.440 23 T N -3.096 111.449 114.554 -0.015 0.000 3.019 23 T HA 0.055 4.406 4.350 0.001 0.000 0.247 23 T C 1.050 175.498 174.700 -0.420 0.000 0.992 23 T CA 0.254 62.183 62.100 -0.285 0.000 1.036 23 T CB 0.157 68.730 68.868 -0.492 0.000 1.063 23 T HN 0.109 nan 8.240 nan 0.000 0.476 24 Y N -0.397 119.945 120.300 0.070 0.000 2.444 24 Y HA 0.408 4.958 4.550 0.001 0.000 0.249 24 Y C 0.114 176.063 175.900 0.081 0.000 1.134 24 Y CA -1.103 57.023 58.100 0.043 0.000 1.261 24 Y CB 0.437 38.922 38.460 0.043 0.000 1.143 24 Y HN 0.169 nan 8.280 nan 0.000 0.523 25 Y N 2.315 122.663 120.300 0.080 0.000 2.434 25 Y HA 0.380 4.930 4.550 0.001 0.000 0.341 25 Y C 0.083 176.000 175.900 0.029 0.000 0.965 25 Y CA -1.452 56.675 58.100 0.045 0.000 1.205 25 Y CB 0.523 39.005 38.460 0.036 0.000 1.121 25 Y HN 0.025 nan 8.280 nan 0.000 0.507 26 T N 5.458 119.830 114.554 -0.305 0.000 3.331 26 T HA 0.289 4.639 4.350 0.001 0.000 0.381 26 T C -2.310 172.236 174.700 -0.257 0.000 1.656 26 T CA -1.937 60.009 62.100 -0.256 0.000 1.453 26 T CB 0.990 69.785 68.868 -0.122 0.000 1.066 26 T HN 0.457 nan 8.240 nan 0.000 0.655 27 P HA 0.079 nan 4.420 nan 0.000 0.234 27 P C 0.168 177.431 177.300 -0.061 0.000 1.167 27 P CA 0.655 63.566 63.100 -0.314 0.000 0.763 27 P CB 0.241 31.692 31.700 -0.416 0.000 0.835 28 D N -1.998 118.379 120.400 -0.039 0.000 2.395 28 D HA 0.020 4.660 4.640 0.001 0.000 0.213 28 D C 0.248 176.567 176.300 0.032 0.000 1.110 28 D CA -0.391 53.608 54.000 -0.001 0.000 0.835 28 D CB -0.351 40.438 40.800 -0.019 0.000 0.965 28 D HN 0.183 nan 8.370 nan 0.000 0.505 29 Y N 1.938 122.206 120.300 -0.054 0.000 2.465 29 Y HA 0.151 4.701 4.550 0.001 0.000 0.331 29 Y C -0.167 175.668 175.900 -0.108 0.000 1.102 29 Y CA -0.246 57.810 58.100 -0.074 0.000 1.358 29 Y CB 0.627 39.048 38.460 -0.065 0.000 1.213 29 Y HN -0.334 nan 8.280 nan 0.000 0.525 30 V N 8.758 128.244 119.914 -0.713 0.000 2.385 30 V HA 0.178 4.299 4.120 0.001 0.000 0.269 30 V C -0.177 175.288 176.094 -1.047 0.000 1.043 30 V CA -0.725 61.184 62.300 -0.651 0.000 0.906 30 V CB 0.639 32.239 31.823 -0.372 0.000 0.995 30 V HN 0.747 nan 8.190 nan 0.000 0.467 31 V N 4.659 124.100 119.914 -0.788 0.000 2.763 31 V HA 0.354 4.474 4.120 0.001 0.000 0.306 31 V C 0.434 176.307 176.094 -0.367 0.000 1.059 31 V CA -0.408 61.533 62.300 -0.599 0.000 1.138 31 V CB 0.119 31.662 31.823 -0.467 0.000 0.940 31 V HN 0.849 nan 8.190 nan 0.000 0.489 32 R N 2.812 123.184 120.500 -0.214 0.000 2.500 32 R HA 0.373 4.714 4.340 0.001 0.000 0.277 32 R C 0.159 176.411 176.300 -0.080 0.000 1.026 32 R CA -0.630 55.398 56.100 -0.120 0.000 1.058 32 R CB 0.779 31.051 30.300 -0.046 0.000 1.078 32 R HN 0.750 nan 8.270 nan 0.000 0.509 33 D N 0.490 120.853 120.400 -0.060 0.000 2.348 33 D HA -0.086 4.554 4.640 0.001 0.000 0.216 33 D C 1.393 177.677 176.300 -0.026 0.000 0.970 33 D CA 1.301 55.275 54.000 -0.044 0.000 0.889 33 D CB 0.178 40.960 40.800 -0.029 0.000 0.912 33 D HN 0.636 nan 8.370 nan 0.000 0.524 34 T N -2.607 111.941 114.554 -0.011 0.000 3.060 34 T HA 0.033 4.383 4.350 0.001 0.000 0.249 34 T C 0.511 175.219 174.700 0.013 0.000 1.079 34 T CA -0.490 61.618 62.100 0.012 0.000 1.013 34 T CB 0.318 69.206 68.868 0.033 0.000 0.975 34 T HN -0.243 nan 8.240 nan 0.000 0.518 35 D N 1.802 122.206 120.400 0.007 0.000 2.414 35 D HA 0.307 4.947 4.640 0.001 0.000 0.242 35 D C -0.157 176.129 176.300 -0.023 0.000 1.129 35 D CA -0.387 53.635 54.000 0.036 0.000 0.885 35 D CB 0.586 41.417 40.800 0.051 0.000 1.198 35 D HN 0.191 nan 8.370 nan 0.000 0.437 36 I N 2.215 122.790 120.570 0.008 0.000 2.416 36 I HA 0.123 4.293 4.170 0.001 0.000 0.288 36 I C 0.107 176.257 176.117 0.055 0.000 1.051 36 I CA -0.065 61.178 61.300 -0.095 0.000 1.375 36 I CB 0.405 38.191 38.000 -0.356 0.000 1.407 36 I HN 0.063 nan 8.210 nan 0.000 0.516 37 L N 6.097 127.225 121.223 -0.158 0.000 2.334 37 L HA 0.881 5.221 4.340 0.001 0.000 0.276 37 L C -0.070 176.675 176.870 -0.207 0.000 1.014 37 L CA -0.807 53.936 54.840 -0.162 0.000 0.815 37 L CB 1.573 43.337 42.059 -0.492 0.000 1.268 37 L HN 0.659 nan 8.230 nan 0.000 0.428 38 A N 1.984 124.889 122.820 0.140 0.000 2.371 38 A HA 0.862 5.182 4.320 0.001 0.000 0.311 38 A C -0.605 177.058 177.584 0.132 0.000 1.068 38 A CA -0.546 51.527 52.037 0.061 0.000 0.744 38 A CB 1.681 20.663 19.000 -0.029 0.000 1.239 38 A HN 0.756 nan 8.150 nan 0.000 0.435 39 A N 1.929 124.719 122.820 -0.049 0.000 2.273 39 A HA 0.700 5.020 4.320 0.001 0.000 0.320 39 A C -1.159 176.087 177.584 -0.562 0.000 1.358 39 A CA -0.256 51.516 52.037 -0.443 0.000 0.910 39 A CB -0.299 18.278 19.000 -0.706 0.000 1.159 39 A HN 0.618 nan 8.150 nan 0.000 0.526 40 F N 1.850 121.606 119.950 -0.324 0.000 2.385 40 F HA 0.407 4.934 4.527 0.001 0.000 0.360 40 F C 0.983 176.647 175.800 -0.227 0.000 1.122 40 F CA -0.297 57.556 58.000 -0.245 0.000 1.090 40 F CB 1.451 40.319 39.000 -0.219 0.000 1.150 40 F HN 0.608 nan 8.300 nan 0.000 0.472 41 R N 5.563 126.054 120.500 -0.014 0.000 2.288 41 R HA 0.371 4.711 4.340 0.001 0.000 0.330 41 R C -0.759 175.561 176.300 0.034 0.000 1.069 41 R CA -0.128 55.977 56.100 0.008 0.000 0.941 41 R CB 0.419 30.724 30.300 0.007 0.000 0.998 41 R HN 0.828 nan 8.270 nan 0.000 0.452 42 M N 3.980 123.610 119.600 0.049 0.000 2.253 42 M HA 0.293 4.773 4.480 0.001 0.000 0.314 42 M C -1.345 175.012 176.300 0.095 0.000 1.019 42 M CA -0.302 55.015 55.300 0.029 0.000 0.932 42 M CB 2.277 34.871 32.600 -0.010 0.000 1.606 42 M HN 0.441 nan 8.290 nan 0.000 0.430 43 T N 6.126 120.719 114.554 0.065 0.000 3.053 43 T HA 0.458 4.808 4.350 0.001 0.000 0.363 43 T C -2.667 172.075 174.700 0.070 0.000 1.239 43 T CA -1.134 61.018 62.100 0.087 0.000 1.071 43 T CB 0.645 69.555 68.868 0.069 0.000 1.089 43 T HN 0.441 nan 8.240 nan 0.000 0.527 44 P HA 0.140 nan 4.420 nan 0.000 0.272 44 P C 0.115 177.443 177.300 0.046 0.000 1.223 44 P CA -0.577 62.547 63.100 0.041 0.000 0.784 44 P CB 0.575 32.289 31.700 0.023 0.000 0.923 45 Q N 2.243 122.062 119.800 0.031 0.000 2.421 45 Q HA 0.161 4.501 4.340 0.001 0.000 0.255 45 Q C -1.911 174.107 176.000 0.030 0.000 1.013 45 Q CA -1.384 54.438 55.803 0.031 0.000 0.895 45 Q CB -0.550 28.205 28.738 0.029 0.000 1.271 45 Q HN 0.361 nan 8.270 nan 0.000 0.460 46 P HA -0.052 nan 4.420 nan 0.000 0.264 46 P C 0.510 177.822 177.300 0.020 0.000 1.193 46 P CA 0.891 64.007 63.100 0.026 0.000 0.763 46 P CB 0.312 32.026 31.700 0.022 0.000 0.810 47 G N 1.483 110.293 108.800 0.016 0.000 2.175 47 G HA2 -0.188 3.772 3.960 0.001 0.000 0.244 47 G HA3 -0.188 3.772 3.960 0.001 0.000 0.244 47 G C -0.150 174.752 174.900 0.004 0.000 0.982 47 G CA -0.111 44.996 45.100 0.010 0.000 0.641 47 G HN 0.540 nan 8.290 nan 0.000 0.527 48 V N 2.369 122.283 119.914 -0.000 0.000 2.328 48 V HA 0.471 4.591 4.120 0.001 0.000 0.278 48 V C -1.633 174.427 176.094 -0.055 0.000 1.021 48 V CA -1.662 60.629 62.300 -0.016 0.000 0.838 48 V CB 1.458 33.277 31.823 -0.006 0.000 0.999 48 V HN 0.129 nan 8.190 nan 0.000 0.447 49 P HA 0.185 nan 4.420 nan 0.000 0.269 49 P C -2.055 175.103 177.300 -0.237 0.000 1.209 49 P CA -1.244 61.770 63.100 -0.142 0.000 0.776 49 P CB 0.220 31.841 31.700 -0.131 0.000 0.876 50 P HA -0.194 nan 4.420 nan 0.000 0.216 50 P C 1.060 178.087 177.300 -0.455 0.000 1.150 50 P CA 1.536 64.290 63.100 -0.575 0.000 0.843 50 P CB 0.050 31.137 31.700 -1.023 0.000 0.787 51 E N -0.451 119.457 120.200 -0.487 0.000 2.077 51 E HA -0.208 4.142 4.350 0.001 0.000 0.193 51 E C 2.046 178.408 176.600 -0.397 0.000 0.989 51 E CA 1.191 57.182 56.400 -0.682 0.000 0.800 51 E CB -0.692 28.460 29.700 -0.914 0.000 0.746 51 E HN 0.271 nan 8.360 nan 0.000 0.452 52 E N 0.161 120.220 120.200 -0.234 0.000 2.072 52 E HA -0.147 4.204 4.350 0.001 0.000 0.191 52 E C 1.929 178.466 176.600 -0.106 0.000 0.985 52 E CA 1.061 57.410 56.400 -0.085 0.000 0.801 52 E CB -0.607 29.079 29.700 -0.024 0.000 0.750 52 E HN 0.297 nan 8.360 nan 0.000 0.452 53 C N -0.193 119.008 119.300 -0.164 0.000 2.413 53 C HA -0.011 4.450 4.460 0.001 0.000 0.276 53 C C 2.689 177.517 174.990 -0.271 0.000 1.236 53 C CA 1.514 60.412 59.018 -0.200 0.000 1.735 53 C CB -1.432 26.200 27.740 -0.180 0.000 2.031 53 C HN 0.654 nan 8.230 nan 0.000 0.474 54 G N -0.396 108.256 108.800 -0.247 0.000 2.408 54 G HA2 0.004 3.964 3.960 0.001 0.000 0.217 54 G HA3 0.004 3.964 3.960 0.001 0.000 0.217 54 G C 1.934 176.719 174.900 -0.192 0.000 1.150 54 G CA 1.008 45.976 45.100 -0.219 0.000 0.776 54 G HN 0.711 nan 8.290 nan 0.000 0.542 55 A N 1.221 123.969 122.820 -0.120 0.000 1.902 55 A HA 0.284 4.605 4.320 0.001 0.000 0.217 55 A C 2.810 180.221 177.584 -0.288 0.000 1.181 55 A CA 2.154 54.178 52.037 -0.023 0.000 0.623 55 A CB -0.761 18.331 19.000 0.153 0.000 0.818 55 A HN 0.741 nan 8.150 nan 0.000 0.443 56 A N -0.508 122.013 122.820 -0.498 0.000 1.902 56 A HA -0.020 4.300 4.320 0.001 0.000 0.217 56 A C 2.237 179.221 177.584 -0.999 0.000 1.181 56 A CA 1.869 53.234 52.037 -1.120 0.000 0.623 56 A CB -0.927 17.563 19.000 -0.849 0.000 0.818 56 A HN 0.390 nan 8.150 nan 0.000 0.443 57 V N -0.181 119.294 119.914 -0.731 0.000 2.307 57 V HA -0.233 3.888 4.120 0.001 0.000 0.245 57 V C 3.071 178.848 176.094 -0.528 0.000 1.045 57 V CA 1.914 63.781 62.300 -0.722 0.000 1.024 57 V CB -1.322 30.004 31.823 -0.829 0.000 0.651 57 V HN 0.621 nan 8.190 nan 0.000 0.449 58 A N 0.124 122.707 122.820 -0.395 0.000 1.883 58 A HA -0.187 4.134 4.320 0.001 0.000 0.217 58 A C 2.442 179.828 177.584 -0.329 0.000 1.186 58 A CA 2.426 54.312 52.037 -0.252 0.000 0.624 58 A CB -0.925 18.006 19.000 -0.115 0.000 0.822 58 A HN 0.583 nan 8.150 nan 0.000 0.444 59 A N -0.619 121.803 122.820 -0.665 0.000 1.858 59 A HA -0.154 4.166 4.320 0.001 0.000 0.216 59 A C 1.864 179.123 177.584 -0.542 0.000 1.190 59 A CA 1.641 53.032 52.037 -1.076 0.000 0.617 59 A CB -0.417 17.805 19.000 -1.297 0.000 0.827 59 A HN 0.487 nan 8.150 nan 0.000 0.443 60 E N 0.208 120.097 120.200 -0.518 0.000 2.489 60 E HA -0.012 4.339 4.350 0.001 0.000 0.193 60 E C 1.319 177.825 176.600 -0.157 0.000 1.057 60 E CA 0.815 57.031 56.400 -0.306 0.000 0.866 60 E CB -0.008 29.400 29.700 -0.488 0.000 0.916 60 E HN 0.718 nan 8.360 nan 0.000 0.500 61 S N -0.957 114.669 115.700 -0.123 0.000 2.554 61 S HA 0.130 4.601 4.470 0.001 0.000 0.226 61 S C 1.385 176.061 174.600 0.126 0.000 0.980 61 S CA 0.238 58.465 58.200 0.045 0.000 0.939 61 S CB 0.334 63.627 63.200 0.156 0.000 0.832 61 S HN 0.140 nan 8.310 nan 0.000 0.486 62 S N 1.539 117.275 115.700 0.059 0.000 4.238 62 S HA 0.171 4.642 4.470 0.001 0.000 0.167 62 S C 1.359 175.976 174.600 0.029 0.000 0.921 62 S CA 0.607 58.858 58.200 0.086 0.000 1.128 62 S CB -0.205 63.101 63.200 0.177 0.000 1.636 62 S HN 0.529 nan 8.310 nan 0.000 0.753 63 T N -1.057 113.528 114.554 0.051 0.000 2.986 63 T HA 0.494 4.844 4.350 0.001 0.000 0.264 63 T C 0.758 175.498 174.700 0.068 0.000 0.964 63 T CA 0.399 62.543 62.100 0.073 0.000 0.895 63 T CB 0.222 69.187 68.868 0.161 0.000 1.163 63 T HN 0.747 nan 8.240 nan 0.000 0.517 64 G N 0.169 108.965 108.800 -0.006 0.000 2.441 64 G HA2 0.581 4.542 3.960 0.001 0.000 0.334 64 G HA3 0.581 4.542 3.960 0.001 0.000 0.334 64 G C -0.966 173.979 174.900 0.074 0.000 1.161 64 G CA -0.344 44.773 45.100 0.029 0.000 0.935 64 G HN 0.265 nan 8.290 nan 0.000 0.488 65 T N -0.963 113.670 114.554 0.132 0.000 2.693 65 T HA 0.428 4.779 4.350 0.001 0.000 0.278 65 T C 0.621 175.454 174.700 0.222 0.000 0.994 65 T CA -0.520 61.708 62.100 0.213 0.000 1.033 65 T CB 0.844 69.795 68.868 0.137 0.000 1.342 65 T HN 0.678 nan 8.240 nan 0.000 0.538 66 W N 0.732 122.126 121.300 0.157 0.000 2.800 66 W HA 0.292 4.953 4.660 0.000 0.000 0.249 66 W C 0.265 176.765 176.519 -0.032 0.000 1.294 66 W CA 0.364 57.759 57.345 0.084 0.000 1.402 66 W CB -0.948 28.581 29.460 0.115 0.000 1.126 66 W HN 0.525 nan 8.180 nan 0.000 0.652 67 T N 1.000 115.069 114.554 -0.808 0.000 2.896 67 T HA 0.334 4.684 4.350 0.001 0.000 0.297 67 T C -0.441 174.024 174.700 -0.393 0.000 1.108 67 T CA -0.325 61.329 62.100 -0.743 0.000 1.004 67 T CB 1.809 69.847 68.868 -1.385 0.000 1.159 67 T HN -0.207 nan 8.240 nan 0.000 0.499 68 T N 2.607 117.044 114.554 -0.195 0.000 2.888 68 T HA 0.442 4.792 4.350 0.001 0.000 0.301 68 T C 0.244 175.000 174.700 0.093 0.000 1.001 68 T CA -0.391 61.704 62.100 -0.008 0.000 1.147 68 T CB 0.185 69.094 68.868 0.069 0.000 0.931 68 T HN 0.667 nan 8.240 nan 0.000 0.541 69 V N 2.831 122.757 119.914 0.021 0.000 2.581 69 V HA 0.481 4.601 4.120 0.001 0.000 0.303 69 V C 1.138 177.059 176.094 -0.288 0.000 1.041 69 V CA -1.180 61.039 62.300 -0.136 0.000 0.907 69 V CB 1.336 33.001 31.823 -0.263 0.000 0.994 69 V HN 1.051 nan 8.190 nan 0.000 0.442 70 W N 2.474 123.304 121.300 -0.783 0.000 2.425 70 W HA -0.081 4.579 4.660 0.000 0.000 0.277 70 W C 1.396 177.676 176.519 -0.398 0.000 1.231 70 W CA 1.337 58.083 57.345 -0.999 0.000 1.248 70 W CB -1.629 26.910 29.460 -1.533 0.000 1.117 70 W HN 0.745 nan 8.180 nan 0.000 0.568 71 T N -1.002 112.906 114.554 -1.077 0.000 3.007 71 T HA -0.197 4.153 4.350 0.001 0.000 0.270 71 T C 1.085 175.566 174.700 -0.366 0.000 1.107 71 T CA 1.500 63.041 62.100 -0.933 0.000 1.118 71 T CB -0.575 67.664 68.868 -1.048 0.000 0.889 71 T HN -0.071 nan 8.240 nan 0.000 0.506 72 D N 2.020 122.278 120.400 -0.236 0.000 2.182 72 D HA -0.038 4.603 4.640 0.001 0.000 0.201 72 D C 2.301 178.583 176.300 -0.030 0.000 0.986 72 D CA 1.363 55.308 54.000 -0.091 0.000 0.847 72 D CB -0.810 39.972 40.800 -0.029 0.000 0.942 72 D HN 0.612 nan 8.370 nan 0.000 0.467 73 G N -0.014 108.786 108.800 -0.000 0.000 2.572 73 G HA2 -0.086 3.874 3.960 0.001 0.000 0.216 73 G HA3 -0.086 3.874 3.960 0.001 0.000 0.216 73 G C 1.613 176.545 174.900 0.053 0.000 1.133 73 G CA -0.067 45.065 45.100 0.054 0.000 0.791 73 G HN 0.263 nan 8.290 nan 0.000 0.538 74 L N -0.163 121.078 121.223 0.030 0.000 2.395 74 L HA 0.151 4.491 4.340 0.001 0.000 0.218 74 L C 1.715 178.598 176.870 0.022 0.000 1.130 74 L CA 0.486 55.346 54.840 0.032 0.000 0.826 74 L CB -0.020 42.045 42.059 0.011 0.000 0.941 74 L HN 0.203 nan 8.230 nan 0.000 0.451 75 T N -2.313 112.252 114.554 0.018 0.000 2.762 75 T HA 0.293 4.643 4.350 0.001 0.000 0.272 75 T C -0.415 174.339 174.700 0.090 0.000 0.982 75 T CA -0.461 61.678 62.100 0.065 0.000 1.013 75 T CB 1.946 70.840 68.868 0.043 0.000 1.309 75 T HN -0.114 nan 8.240 nan 0.000 0.572 76 S N 1.581 117.376 115.700 0.159 0.000 2.532 76 S HA 0.356 4.827 4.470 0.001 0.000 0.318 76 S C 0.849 175.514 174.600 0.108 0.000 1.083 76 S CA -0.706 57.543 58.200 0.082 0.000 1.131 76 S CB 0.350 63.554 63.200 0.007 0.000 0.973 76 S HN 0.576 nan 8.310 nan 0.000 0.468 77 L N 4.409 125.669 121.223 0.062 0.000 2.131 77 L HA 0.028 4.369 4.340 0.001 0.000 0.210 77 L C 1.695 178.548 176.870 -0.029 0.000 1.092 77 L CA 1.885 56.753 54.840 0.045 0.000 0.759 77 L CB -0.379 41.676 42.059 -0.006 0.000 0.903 77 L HN 0.603 nan 8.230 nan 0.000 0.435 78 D N -0.911 119.447 120.400 -0.070 0.000 2.182 78 D HA -0.226 4.414 4.640 0.001 0.000 0.201 78 D C 2.261 178.478 176.300 -0.138 0.000 0.986 78 D CA 0.964 54.900 54.000 -0.107 0.000 0.847 78 D CB -0.077 40.672 40.800 -0.085 0.000 0.942 78 D HN 0.334 nan 8.370 nan 0.000 0.467 79 R N -0.834 119.547 120.500 -0.200 0.000 2.090 79 R HA -0.106 4.235 4.340 0.001 0.000 0.228 79 R C 1.352 177.389 176.300 -0.438 0.000 1.110 79 R CA 1.044 56.906 56.100 -0.396 0.000 0.973 79 R CB 0.071 29.973 30.300 -0.662 0.000 0.869 79 R HN 0.219 nan 8.270 nan 0.000 0.440 80 Y N 0.400 120.682 120.300 -0.029 0.000 2.483 80 Y HA 0.155 4.705 4.550 0.001 0.000 0.258 80 Y C 0.161 176.057 175.900 -0.007 0.000 1.083 80 Y CA -0.305 57.782 58.100 -0.021 0.000 1.283 80 Y CB 0.211 38.656 38.460 -0.024 0.000 1.178 80 Y HN -0.070 nan 8.280 nan 0.000 0.515 81 K N 1.371 121.834 120.400 0.106 0.000 2.382 81 K HA 0.313 4.633 4.320 0.001 0.000 0.275 81 K C 0.575 177.209 176.600 0.056 0.000 1.009 81 K CA 0.075 56.440 56.287 0.129 0.000 0.970 81 K CB 0.663 33.181 32.500 0.030 0.000 0.934 81 K HN 0.146 nan 8.250 nan 0.000 0.479 82 G N 2.550 111.416 108.800 0.109 0.000 2.483 82 G HA2 0.204 4.165 3.960 0.001 0.000 0.248 82 G HA3 0.204 4.165 3.960 0.001 0.000 0.248 82 G C -0.793 174.072 174.900 -0.058 0.000 1.248 82 G CA -0.846 44.196 45.100 -0.097 0.000 0.838 82 G HN 0.657 nan 8.290 nan 0.000 0.566 83 R N 0.577 120.965 120.500 -0.188 0.000 2.473 83 R HA 0.243 4.583 4.340 0.001 0.000 0.303 83 R C -0.912 175.414 176.300 0.043 0.000 1.002 83 R CA -0.621 55.412 56.100 -0.111 0.000 0.884 83 R CB 1.627 31.695 30.300 -0.386 0.000 1.173 83 R HN 0.533 nan 8.270 nan 0.000 0.464 84 C N 5.344 124.694 119.300 0.083 0.000 2.610 84 C HA 0.147 4.607 4.460 0.001 0.000 0.382 84 C C 1.083 176.171 174.990 0.164 0.000 1.287 84 C CA -0.319 58.776 59.018 0.128 0.000 1.640 84 C CB -1.208 26.630 27.740 0.163 0.000 2.335 84 C HN 0.973 nan 8.230 nan 0.000 0.577 85 Y N 1.946 122.327 120.300 0.134 0.000 2.445 85 Y HA 0.531 5.081 4.550 0.001 0.000 0.247 85 Y C 0.198 176.171 175.900 0.121 0.000 1.129 85 Y CA -0.448 57.707 58.100 0.092 0.000 1.251 85 Y CB 0.057 38.635 38.460 0.197 0.000 1.176 85 Y HN 0.501 nan 8.280 nan 0.000 0.522 86 D N 0.605 120.905 120.400 -0.167 0.000 2.886 86 D HA 0.446 5.086 4.640 0.001 0.000 0.216 86 D C -1.666 174.735 176.300 0.168 0.000 1.256 86 D CA -0.363 53.631 54.000 -0.010 0.000 0.844 86 D CB 2.065 42.744 40.800 -0.201 0.000 1.669 86 D HN 0.184 nan 8.370 nan 0.000 0.513 87 I N 2.276 122.970 120.570 0.206 0.000 2.447 87 I HA 0.301 4.472 4.170 0.001 0.000 0.287 87 I C -0.211 176.040 176.117 0.223 0.000 1.023 87 I CA -0.592 60.828 61.300 0.201 0.000 1.083 87 I CB 1.930 39.978 38.000 0.080 0.000 1.245 87 I HN 0.129 nan 8.210 nan 0.000 0.434 88 E N 7.680 128.048 120.200 0.281 0.000 2.179 88 E HA 0.397 4.748 4.350 0.001 0.000 0.275 88 E C -2.407 174.336 176.600 0.239 0.000 0.945 88 E CA -1.864 54.679 56.400 0.238 0.000 0.792 88 E CB 1.592 31.445 29.700 0.256 0.000 1.125 88 E HN 0.264 nan 8.360 nan 0.000 0.397 89 P HA 0.041 nan 4.420 nan 0.000 0.274 89 P C -0.540 176.751 177.300 -0.015 0.000 1.231 89 P CA -0.308 62.825 63.100 0.055 0.000 0.790 89 P CB 0.811 32.537 31.700 0.043 0.000 0.951 90 V N 4.588 124.431 119.914 -0.117 0.000 2.383 90 V HA 0.213 4.334 4.120 0.001 0.000 0.275 90 V C -1.803 174.250 176.094 -0.069 0.000 1.036 90 V CA -1.819 60.441 62.300 -0.066 0.000 0.889 90 V CB 0.706 32.487 31.823 -0.069 0.000 0.985 90 V HN 0.573 nan 8.190 nan 0.000 0.459 91 P HA 0.185 nan 4.420 nan 0.000 0.267 91 P C 0.887 178.169 177.300 -0.030 0.000 1.205 91 P CA 1.000 64.082 63.100 -0.030 0.000 0.765 91 P CB 0.884 32.572 31.700 -0.020 0.000 0.828 92 G N 1.678 110.459 108.800 -0.031 0.000 2.175 92 G HA2 -0.162 3.798 3.960 0.001 0.000 0.244 92 G HA3 -0.162 3.798 3.960 0.001 0.000 0.244 92 G C -0.162 174.717 174.900 -0.036 0.000 0.982 92 G CA -0.261 44.824 45.100 -0.025 0.000 0.641 92 G HN 0.573 nan 8.290 nan 0.000 0.527 93 E N 0.267 120.429 120.200 -0.063 0.000 2.224 93 E HA 0.419 4.770 4.350 0.001 0.000 0.265 93 E C 0.007 176.532 176.600 -0.126 0.000 0.878 93 E CA -0.306 56.042 56.400 -0.086 0.000 0.759 93 E CB 1.486 31.125 29.700 -0.103 0.000 1.164 93 E HN 0.281 nan 8.360 nan 0.000 0.414 94 D N 1.099 121.443 120.400 -0.094 0.000 2.194 94 D HA -0.105 4.535 4.640 0.001 0.000 0.204 94 D C 0.864 177.088 176.300 -0.127 0.000 0.964 94 D CA 0.681 54.630 54.000 -0.085 0.000 0.846 94 D CB 0.224 41.004 40.800 -0.033 0.000 0.962 94 D HN 0.168 nan 8.370 nan 0.000 0.490 95 N N -0.137 118.480 118.700 -0.137 0.000 2.433 95 N HA 0.099 4.839 4.740 0.001 0.000 0.270 95 N C -1.280 174.135 175.510 -0.159 0.000 1.354 95 N CA -0.102 52.895 53.050 -0.089 0.000 0.889 95 N CB 0.396 38.897 38.487 0.023 0.000 1.285 95 N HN -0.028 nan 8.380 nan 0.000 0.503 96 Q N 0.440 119.998 119.800 -0.404 0.000 2.340 96 Q HA 0.381 4.722 4.340 0.001 0.000 0.268 96 Q C -1.508 174.156 176.000 -0.561 0.000 1.031 96 Q CA -0.664 54.960 55.803 -0.299 0.000 0.804 96 Q CB 1.822 30.478 28.738 -0.136 0.000 1.286 96 Q HN 0.245 nan 8.270 nan 0.000 0.448 97 Y N 1.241 121.542 120.300 0.001 0.000 2.512 97 Y HA 0.442 4.992 4.550 0.000 0.000 0.348 97 Y C -0.300 175.595 175.900 -0.009 0.000 0.990 97 Y CA -1.155 56.946 58.100 0.003 0.000 1.033 97 Y CB 1.441 39.894 38.460 -0.012 0.000 1.259 97 Y HN 0.417 nan 8.280 nan 0.000 0.461 98 I N 2.685 123.344 120.570 0.149 0.000 2.297 98 I HA 0.426 4.596 4.170 0.001 0.000 0.291 98 I C 0.123 176.226 176.117 -0.024 0.000 1.033 98 I CA -0.747 60.553 61.300 -0.001 0.000 1.253 98 I CB 0.361 38.343 38.000 -0.029 0.000 1.396 98 I HN 0.695 nan 8.210 nan 0.000 0.476 99 A N 7.452 130.235 122.820 -0.062 0.000 2.274 99 A HA 0.583 4.904 4.320 0.001 0.000 0.309 99 A C -1.095 176.418 177.584 -0.117 0.000 1.226 99 A CA -0.315 51.707 52.037 -0.024 0.000 0.853 99 A CB 0.155 19.144 19.000 -0.020 0.000 1.146 99 A HN 0.528 nan 8.150 nan 0.000 0.518 100 Y N 1.730 121.977 120.300 -0.088 0.000 2.335 100 Y HA 0.467 5.018 4.550 0.001 0.000 0.339 100 Y C 0.119 175.872 175.900 -0.244 0.000 0.987 100 Y CA -0.325 57.656 58.100 -0.199 0.000 1.140 100 Y CB 1.703 39.824 38.460 -0.565 0.000 1.173 100 Y HN 0.382 nan 8.280 nan 0.000 0.486 101 V N 3.239 123.292 119.914 0.232 0.000 2.540 101 V HA 0.785 4.905 4.120 0.001 0.000 0.302 101 V C -0.326 175.895 176.094 0.213 0.000 1.035 101 V CA -1.048 61.351 62.300 0.165 0.000 0.873 101 V CB 1.582 33.449 31.823 0.074 0.000 0.992 101 V HN 0.845 nan 8.190 nan 0.000 0.428 102 A N 4.467 127.367 122.820 0.133 0.000 2.304 102 A HA 0.890 5.210 4.320 0.001 0.000 0.323 102 A C -1.297 176.164 177.584 -0.205 0.000 1.195 102 A CA -0.327 51.746 52.037 0.059 0.000 0.826 102 A CB 0.605 19.672 19.000 0.110 0.000 1.184 102 A HN 0.726 nan 8.150 nan 0.000 0.496 106 D N 1.549 122.043 120.400 0.155 0.000 2.311 106 D HA -0.037 4.603 4.640 0.001 0.000 0.212 106 D C 2.004 178.347 176.300 0.072 0.000 0.972 106 D CA 1.272 55.363 54.000 0.150 0.000 0.887 106 D CB 0.050 40.989 40.800 0.231 0.000 0.915 106 D HN 0.433 nan 8.370 nan 0.000 0.497 107 L N -0.884 120.294 121.223 -0.074 0.000 2.395 107 L HA 0.024 4.364 4.340 0.001 0.000 0.218 107 L C 0.162 176.678 176.870 -0.589 0.000 1.130 107 L CA 0.252 54.850 54.840 -0.404 0.000 0.826 107 L CB -0.090 41.563 42.059 -0.676 0.000 0.941 107 L HN -0.112 nan 8.230 nan 0.000 0.451 108 F N -0.205 119.709 119.950 -0.060 0.000 2.443 108 F HA 0.282 4.810 4.527 0.001 0.000 0.335 108 F C 0.674 176.509 175.800 0.057 0.000 1.104 108 F CA -1.110 56.848 58.000 -0.070 0.000 1.013 108 F CB 0.961 39.731 39.000 -0.384 0.000 1.136 108 F HN -0.175 nan 8.300 nan 0.000 0.470 109 E N 2.273 122.628 120.200 0.257 0.000 2.299 109 E HA 0.084 4.434 4.350 0.001 0.000 0.272 109 E C -0.650 176.088 176.600 0.230 0.000 1.043 109 E CA -0.521 55.987 56.400 0.181 0.000 0.895 109 E CB 0.451 30.212 29.700 0.102 0.000 1.011 109 E HN 0.507 nan 8.360 nan 0.000 0.432 110 E N 2.802 123.083 120.200 0.136 0.000 2.652 110 E HA 0.040 4.390 4.350 0.001 0.000 0.255 110 E C 1.001 177.367 176.600 -0.389 0.000 0.952 110 E CA 1.497 57.856 56.400 -0.068 0.000 0.947 110 E CB 0.245 29.909 29.700 -0.061 0.000 0.912 110 E HN 0.827 nan 8.360 nan 0.000 0.489 111 G N 2.646 110.795 108.800 -1.086 0.000 2.168 111 G HA2 -0.341 3.619 3.960 0.001 0.000 0.263 111 G HA3 -0.341 3.619 3.960 0.001 0.000 0.263 111 G C 0.368 174.842 174.900 -0.710 0.000 0.977 111 G CA 0.453 44.729 45.100 -1.373 0.000 0.659 111 G HN 0.592 nan 8.290 nan 0.000 0.533 112 S N -0.334 115.180 115.700 -0.310 0.000 2.528 112 S HA 0.545 5.015 4.470 0.001 0.000 0.303 112 S C 1.525 176.286 174.600 0.268 0.000 1.123 112 S CA 0.120 58.360 58.200 0.066 0.000 1.138 112 S CB 1.240 64.483 63.200 0.072 0.000 0.984 112 S HN 0.554 nan 8.310 nan 0.000 0.474 113 V N 4.875 124.936 119.914 0.246 0.000 2.343 113 V HA -0.133 3.987 4.120 0.001 0.000 0.247 113 V C 2.602 178.612 176.094 -0.139 0.000 1.051 113 V CA 2.463 64.732 62.300 -0.051 0.000 1.036 113 V CB -1.069 30.419 31.823 -0.558 0.000 0.654 113 V HN 0.843 nan 8.190 nan 0.000 0.451 114 T N 0.159 114.670 114.554 -0.073 0.000 2.653 114 T HA -0.289 4.061 4.350 0.001 0.000 0.268 114 T C 1.918 176.704 174.700 0.143 0.000 1.035 114 T CA 2.097 64.228 62.100 0.053 0.000 1.154 114 T CB -0.512 68.420 68.868 0.106 0.000 0.862 114 T HN 0.585 nan 8.240 nan 0.000 0.441 115 N N 0.479 119.278 118.700 0.166 0.000 2.142 115 N HA -0.077 4.664 4.740 0.001 0.000 0.186 115 N C 2.134 177.814 175.510 0.284 0.000 1.023 115 N CA 1.190 54.358 53.050 0.196 0.000 0.852 115 N CB -0.240 38.358 38.487 0.185 0.000 0.998 115 N HN 0.405 nan 8.380 nan 0.000 0.424 116 M N -0.242 119.584 119.600 0.377 0.000 2.080 116 M HA -0.196 4.284 4.480 0.001 0.000 0.260 116 M C 1.506 177.994 176.300 0.313 0.000 1.068 116 M CA 1.639 57.184 55.300 0.409 0.000 1.109 116 M CB -0.180 32.598 32.600 0.297 0.000 1.342 116 M HN 0.048 nan 8.290 nan 0.000 0.405 117 F N 0.374 120.348 119.950 0.039 0.000 2.186 117 F HA -0.132 4.396 4.527 0.001 0.000 0.299 117 F C 2.507 178.347 175.800 0.066 0.000 1.090 117 F CA 1.713 59.732 58.000 0.031 0.000 1.307 117 F CB -1.189 37.824 39.000 0.021 0.000 1.019 117 F HN 0.179 nan 8.300 nan 0.000 0.489 118 T N -1.101 113.607 114.554 0.256 0.000 2.720 118 T HA -0.175 4.175 4.350 0.001 0.000 0.268 118 T C 2.322 177.087 174.700 0.109 0.000 1.037 118 T CA 1.721 63.919 62.100 0.164 0.000 1.144 118 T CB -0.397 68.549 68.868 0.130 0.000 0.864 118 T HN 0.152 nan 8.240 nan 0.000 0.444 119 S N 0.881 116.630 115.700 0.081 0.000 2.329 119 S HA 0.091 4.561 4.470 0.001 0.000 0.215 119 S C 2.079 176.695 174.600 0.026 0.000 1.031 119 S CA 0.823 59.028 58.200 0.009 0.000 0.985 119 S CB -0.331 62.802 63.200 -0.111 0.000 0.917 119 S HN 0.400 nan 8.310 nan 0.000 0.441 120 I N 1.528 122.094 120.570 -0.007 0.000 2.315 120 I HA -0.075 4.095 4.170 0.001 0.000 0.248 120 I C 1.710 177.967 176.117 0.233 0.000 1.117 120 I CA 1.072 62.385 61.300 0.021 0.000 1.404 120 I CB -0.152 37.753 38.000 -0.158 0.000 1.071 120 I HN 0.262 nan 8.210 nan 0.000 0.419 121 V N -2.993 117.008 119.914 0.145 0.000 3.253 121 V HA 0.465 4.585 4.120 0.001 0.000 0.320 121 V C 1.650 177.861 176.094 0.195 0.000 1.442 121 V CA 0.278 62.724 62.300 0.243 0.000 1.097 121 V CB -0.385 31.378 31.823 -0.100 0.000 1.008 121 V HN 0.230 nan 8.190 nan 0.000 0.463 122 G N 2.092 110.997 108.800 0.176 0.000 2.552 122 G HA2 -0.208 3.752 3.960 0.001 0.000 0.216 122 G HA3 -0.208 3.752 3.960 0.001 0.000 0.216 122 G C 1.201 176.209 174.900 0.180 0.000 1.240 122 G CA 1.564 46.756 45.100 0.152 0.000 0.796 122 G HN 0.558 nan 8.290 nan 0.000 0.568 123 N N -0.289 118.537 118.700 0.210 0.000 2.397 123 N HA 0.002 4.742 4.740 0.001 0.000 0.190 123 N C 2.294 178.018 175.510 0.356 0.000 1.099 123 N CA 0.946 54.153 53.050 0.261 0.000 0.876 123 N CB 0.126 38.776 38.487 0.271 0.000 1.143 123 N HN 0.304 nan 8.380 nan 0.000 0.468 124 V N -1.140 118.910 119.914 0.226 0.000 2.720 124 V HA -0.080 4.041 4.120 0.001 0.000 0.256 124 V C 1.628 177.749 176.094 0.046 0.000 1.082 124 V CA 1.328 63.615 62.300 -0.021 0.000 1.101 124 V CB -1.171 30.424 31.823 -0.380 0.000 0.693 124 V HN -0.063 nan 8.190 nan 0.000 0.479 125 F N 2.317 122.326 119.950 0.099 0.000 2.558 125 F HA 0.332 4.859 4.527 0.001 0.000 0.298 125 F C 2.332 178.263 175.800 0.219 0.000 1.119 125 F CA 1.041 59.127 58.000 0.143 0.000 1.451 125 F CB -0.584 38.489 39.000 0.123 0.000 1.091 125 F HN 0.331 nan 8.300 nan 0.000 0.563 126 G N -1.523 107.496 108.800 0.364 0.000 3.233 126 G HA2 0.038 3.998 3.960 0.001 0.000 0.234 126 G HA3 0.038 3.998 3.960 0.001 0.000 0.234 126 G C 0.099 175.094 174.900 0.158 0.000 1.137 126 G CA -0.206 45.030 45.100 0.226 0.000 0.763 126 G HN 0.010 nan 8.290 nan 0.000 0.549 127 F N 1.430 121.389 119.950 0.015 0.000 2.578 127 F HA 0.211 4.738 4.527 0.001 0.000 0.376 127 F C 1.745 177.537 175.800 -0.013 0.000 1.085 127 F CA 0.033 58.022 58.000 -0.018 0.000 1.260 127 F CB 1.147 40.106 39.000 -0.068 0.000 1.095 127 F HN -0.037 nan 8.300 nan 0.000 0.573 128 K N 2.685 123.093 120.400 0.015 0.000 2.152 128 K HA -0.185 4.135 4.320 0.001 0.000 0.206 128 K C 1.933 178.571 176.600 0.064 0.000 1.048 128 K CA 1.355 57.652 56.287 0.017 0.000 0.933 128 K CB -0.157 32.321 32.500 -0.036 0.000 0.721 128 K HN 0.708 nan 8.250 nan 0.000 0.447 129 A N 1.066 123.960 122.820 0.123 0.000 2.209 129 A HA 0.024 4.344 4.320 0.001 0.000 0.212 129 A C 0.695 178.314 177.584 0.058 0.000 1.158 129 A CA 0.490 52.587 52.037 0.100 0.000 0.742 129 A CB -0.510 18.575 19.000 0.142 0.000 0.790 129 A HN 0.244 nan 8.150 nan 0.000 0.472 130 L N -6.118 115.143 121.223 0.064 0.000 2.323 130 L HA 0.693 5.034 4.340 0.001 0.000 0.265 130 L C 0.583 177.484 176.870 0.051 0.000 1.012 130 L CA -0.804 54.054 54.840 0.031 0.000 0.820 130 L CB 1.321 43.367 42.059 -0.023 0.000 1.334 130 L HN -0.053 nan 8.230 nan 0.000 0.427 131 R N 0.937 121.468 120.500 0.051 0.000 2.206 131 R HA 0.688 5.028 4.340 0.001 0.000 0.198 131 R C -0.112 176.239 176.300 0.085 0.000 0.986 131 R CA 0.606 56.738 56.100 0.054 0.000 1.029 131 R CB 0.612 30.939 30.300 0.044 0.000 0.966 131 R HN 0.851 nan 8.270 nan 0.000 0.487 132 A N 0.838 123.733 122.820 0.126 0.000 2.594 132 A HA 0.583 4.903 4.320 0.001 0.000 0.296 132 A C -2.088 175.600 177.584 0.174 0.000 1.061 132 A CA -0.612 51.587 52.037 0.271 0.000 0.689 132 A CB 1.696 20.826 19.000 0.216 0.000 1.280 132 A HN 0.042 nan 8.150 nan 0.000 0.406 133 L N 0.969 122.296 121.223 0.174 0.000 2.470 133 L HA 0.745 5.085 4.340 0.001 0.000 0.268 133 L C -0.612 176.181 176.870 -0.128 0.000 0.964 133 L CA -0.106 54.620 54.840 -0.189 0.000 0.839 133 L CB 1.834 43.480 42.059 -0.687 0.000 1.276 133 L HN 0.789 nan 8.230 nan 0.000 0.403 134 R N 4.295 124.809 120.500 0.024 0.000 2.502 134 R HA 0.488 4.829 4.340 0.001 0.000 0.300 134 R C -1.647 174.719 176.300 0.111 0.000 0.984 134 R CA -0.942 55.243 56.100 0.142 0.000 0.882 134 R CB 1.688 32.046 30.300 0.096 0.000 1.180 134 R HN 0.667 nan 8.270 nan 0.000 0.444 135 L N 4.819 126.141 121.223 0.165 0.000 2.385 135 L HA 0.162 4.502 4.340 0.001 0.000 0.281 135 L C 0.897 177.665 176.870 -0.171 0.000 1.106 135 L CA 0.645 55.393 54.840 -0.153 0.000 0.856 135 L CB 0.833 42.795 42.059 -0.162 0.000 1.186 135 L HN 0.657 nan 8.230 nan 0.000 0.453 136 E N 2.291 122.286 120.200 -0.341 0.000 2.166 136 E HA 0.097 4.448 4.350 0.001 0.000 0.192 136 E C -0.189 176.195 176.600 -0.360 0.000 0.967 136 E CA 0.493 56.648 56.400 -0.409 0.000 0.840 136 E CB 0.393 29.554 29.700 -0.899 0.000 0.795 136 E HN 0.674 nan 8.360 nan 0.000 0.470 137 D N -1.146 119.053 120.400 -0.335 0.000 2.648 137 D HA 0.399 5.039 4.640 0.001 0.000 0.244 137 D C -1.539 174.814 176.300 0.089 0.000 1.244 137 D CA -0.454 53.510 54.000 -0.061 0.000 0.772 137 D CB 1.414 42.219 40.800 0.007 0.000 1.379 137 D HN -0.158 nan 8.370 nan 0.000 0.428 138 L N 1.341 122.632 121.223 0.112 0.000 2.436 138 L HA 0.498 4.839 4.340 0.001 0.000 0.268 138 L C -0.303 176.464 176.870 -0.172 0.000 0.974 138 L CA -0.890 53.906 54.840 -0.073 0.000 0.826 138 L CB 2.294 44.260 42.059 -0.154 0.000 1.291 138 L HN 0.168 nan 8.230 nan 0.000 0.406 139 R N 4.384 124.561 120.500 -0.538 0.000 2.230 139 R HA 0.373 4.713 4.340 0.001 0.000 0.337 139 R C -0.914 175.165 176.300 -0.368 0.000 1.063 139 R CA -0.636 55.160 56.100 -0.506 0.000 0.935 139 R CB 0.349 30.168 30.300 -0.803 0.000 1.121 139 R HN 0.432 nan 8.270 nan 0.000 0.486 140 I N 7.498 127.860 120.570 -0.347 0.000 2.301 140 I HA 0.271 4.441 4.170 0.001 0.000 0.292 140 I C -1.969 173.993 176.117 -0.258 0.000 1.046 140 I CA -2.803 58.327 61.300 -0.284 0.000 1.282 140 I CB 0.909 38.715 38.000 -0.322 0.000 1.409 140 I HN 0.234 nan 8.210 nan 0.000 0.484 141 P HA 0.269 nan 4.420 nan 0.000 0.277 141 P C -2.278 175.005 177.300 -0.028 0.000 1.240 141 P CA -1.633 61.414 63.100 -0.087 0.000 0.798 141 P CB 0.586 32.260 31.700 -0.042 0.000 0.979 142 P HA -0.227 nan 4.420 nan 0.000 0.217 142 P C 1.483 178.826 177.300 0.072 0.000 1.151 142 P CA 2.334 65.451 63.100 0.028 0.000 0.849 142 P CB -0.468 31.255 31.700 0.038 0.000 0.787 143 A N -2.173 120.695 122.820 0.081 0.000 1.969 143 A HA -0.220 4.101 4.320 0.001 0.000 0.218 143 A C 2.213 179.913 177.584 0.192 0.000 1.169 143 A CA 1.320 53.424 52.037 0.111 0.000 0.635 143 A CB -1.654 17.402 19.000 0.093 0.000 0.810 143 A HN 0.145 nan 8.150 nan 0.000 0.445 144 Y N 0.122 120.451 120.300 0.048 0.000 2.269 144 Y HA -0.040 4.510 4.550 0.001 0.000 0.294 144 Y C 2.411 178.454 175.900 0.238 0.000 1.120 144 Y CA 1.046 59.210 58.100 0.106 0.000 1.159 144 Y CB -0.342 38.138 38.460 0.033 0.000 1.024 144 Y HN 0.057 nan 8.280 nan 0.000 0.532 145 V N 0.765 120.758 119.914 0.131 0.000 2.324 145 V HA -0.331 3.790 4.120 0.001 0.000 0.250 145 V C 2.222 178.430 176.094 0.189 0.000 1.060 145 V CA 2.109 64.477 62.300 0.113 0.000 1.042 145 V CB -0.538 31.337 31.823 0.087 0.000 0.650 145 V HN 0.256 nan 8.190 nan 0.000 0.450 146 K N 0.546 121.022 120.400 0.127 0.000 2.442 146 K HA -0.086 4.235 4.320 0.001 0.000 0.198 146 K C 2.031 178.659 176.600 0.046 0.000 1.042 146 K CA 1.495 57.837 56.287 0.091 0.000 0.958 146 K CB -0.719 31.824 32.500 0.071 0.000 0.766 146 K HN 0.768 nan 8.250 nan 0.000 0.474 147 T N -2.178 112.374 114.554 -0.003 0.000 3.113 147 T HA 0.083 4.433 4.350 0.001 0.000 0.256 147 T C 0.472 174.954 174.700 -0.364 0.000 1.131 147 T CA -0.136 61.846 62.100 -0.196 0.000 1.074 147 T CB -0.226 68.448 68.868 -0.323 0.000 0.944 147 T HN -0.151 nan 8.240 nan 0.000 0.516 148 F N 0.503 120.365 119.950 -0.146 0.000 2.443 148 F HA 0.533 5.061 4.527 0.001 0.000 0.335 148 F C 1.343 177.097 175.800 -0.077 0.000 1.104 148 F CA -1.343 56.582 58.000 -0.125 0.000 1.013 148 F CB 1.633 40.545 39.000 -0.145 0.000 1.136 148 F HN -0.261 nan 8.300 nan 0.000 0.470 149 V N 2.380 122.339 119.914 0.076 0.000 2.287 149 V HA -0.032 4.088 4.120 0.001 0.000 0.248 149 V C 1.374 177.489 176.094 0.034 0.000 1.053 149 V CA 1.700 64.018 62.300 0.030 0.000 1.027 149 V CB -1.346 30.474 31.823 -0.004 0.000 0.646 149 V HN 1.163 nan 8.190 nan 0.000 0.447 153 H N -0.790 118.253 119.070 -0.045 0.000 2.006 153 H HA 0.476 5.032 4.556 0.001 0.000 0.189 153 H C 1.004 176.320 175.328 -0.021 0.000 0.887 153 H CA 1.165 57.197 56.048 -0.026 0.000 0.958 153 H CB 0.637 30.386 29.762 -0.021 0.000 1.163 153 H HN 0.293 nan 8.280 nan 0.000 0.364 154 G N 1.206 110.058 108.800 0.087 0.000 2.746 154 G HA2 -0.207 3.754 3.960 0.001 0.000 0.685 154 G HA3 -0.207 3.754 3.960 0.001 0.000 0.685 154 G C 0.794 175.736 174.900 0.070 0.000 1.350 154 G CA -0.042 45.081 45.100 0.038 0.000 0.837 154 G HN 0.191 nan 8.290 nan 0.000 0.564 155 I N 0.372 120.973 120.570 0.050 0.000 2.118 155 I HA -0.288 3.882 4.170 0.001 0.000 0.241 155 I C 2.990 179.156 176.117 0.083 0.000 1.070 155 I CA 2.582 63.922 61.300 0.068 0.000 1.327 155 I CB -0.333 37.697 38.000 0.050 0.000 1.034 155 I HN 0.686 nan 8.210 nan 0.000 0.405 156 Q N -0.047 119.801 119.800 0.081 0.000 2.084 156 Q HA -0.149 4.192 4.340 0.001 0.000 0.202 156 Q C 2.304 178.369 176.000 0.108 0.000 0.978 156 Q CA 1.599 57.462 55.803 0.101 0.000 0.844 156 Q CB -0.376 28.413 28.738 0.086 0.000 0.898 156 Q HN 0.363 nan 8.270 nan 0.000 0.426 157 V N 0.743 120.715 119.914 0.097 0.000 2.427 157 V HA -0.255 3.865 4.120 0.001 0.000 0.248 157 V C 2.182 178.314 176.094 0.062 0.000 1.051 157 V CA 1.992 64.349 62.300 0.096 0.000 1.048 157 V CB -0.533 31.372 31.823 0.136 0.000 0.666 157 V HN 0.436 nan 8.190 nan 0.000 0.456 158 E N 0.398 120.638 120.200 0.066 0.000 2.051 158 E HA -0.244 4.106 4.350 0.001 0.000 0.192 158 E C 2.479 179.095 176.600 0.026 0.000 0.991 158 E CA 1.357 57.784 56.400 0.045 0.000 0.799 158 E CB -0.084 29.680 29.700 0.106 0.000 0.748 158 E HN 0.497 nan 8.360 nan 0.000 0.449 159 R N 0.379 120.891 120.500 0.021 0.000 2.105 159 R HA -0.141 4.200 4.340 0.001 0.000 0.239 159 R C 1.998 178.192 176.300 -0.177 0.000 1.135 159 R CA 1.562 57.598 56.100 -0.107 0.000 0.967 159 R CB -0.206 30.075 30.300 -0.032 0.000 0.861 159 R HN 0.300 nan 8.270 nan 0.000 0.442 160 D N 0.463 120.887 120.400 0.041 0.000 2.117 160 D HA -0.112 4.528 4.640 0.001 0.000 0.198 160 D C 1.708 178.031 176.300 0.039 0.000 0.982 160 D CA 1.228 55.302 54.000 0.122 0.000 0.828 160 D CB -0.012 40.879 40.800 0.152 0.000 0.967 160 D HN 0.196 nan 8.370 nan 0.000 0.464 161 K N 0.100 120.501 120.400 0.002 0.000 2.103 161 K HA 0.029 4.350 4.320 0.001 0.000 0.204 161 K C 2.126 178.713 176.600 -0.021 0.000 1.052 161 K CA 0.488 56.766 56.287 -0.015 0.000 0.945 161 K CB 0.060 32.524 32.500 -0.059 0.000 0.722 161 K HN 0.146 nan 8.250 nan 0.000 0.443 162 L N 0.238 121.434 121.223 -0.046 0.000 2.418 162 L HA 0.012 4.353 4.340 0.001 0.000 0.218 162 L C 0.604 177.402 176.870 -0.119 0.000 1.125 162 L CA 0.095 54.898 54.840 -0.061 0.000 0.835 162 L CB -0.417 41.611 42.059 -0.051 0.000 0.953 162 L HN 0.381 nan 8.230 nan 0.000 0.454 163 N N 1.208 119.800 118.700 -0.179 0.000 2.758 163 N HA -0.179 4.561 4.740 0.001 0.000 0.248 163 N C -0.479 174.778 175.510 -0.421 0.000 1.076 163 N CA 0.355 53.274 53.050 -0.218 0.000 0.696 163 N CB -0.395 38.077 38.487 -0.026 0.000 0.979 163 N HN 0.357 nan 8.380 nan 0.000 0.550 164 K N 1.491 121.469 120.400 -0.704 0.000 2.450 164 K HA 0.392 4.713 4.320 0.001 0.000 0.257 164 K C -1.407 174.784 176.600 -0.683 0.000 0.953 164 K CA -0.329 55.654 56.287 -0.507 0.000 0.844 164 K CB 0.984 33.322 32.500 -0.271 0.000 1.103 164 K HN 0.110 nan 8.250 nan 0.000 0.429 165 Y N -0.513 119.795 120.300 0.013 0.000 2.553 165 Y HA 0.455 5.005 4.550 0.001 0.000 0.347 165 Y C 1.069 176.979 175.900 0.017 0.000 1.019 165 Y CA -0.803 57.308 58.100 0.019 0.000 1.032 165 Y CB 2.505 40.976 38.460 0.019 0.000 1.284 165 Y HN 0.739 nan 8.280 nan 0.000 0.466 166 G N 1.305 110.220 108.800 0.192 0.000 2.175 166 G HA2 -0.194 3.767 3.960 0.001 0.000 0.244 166 G HA3 -0.194 3.767 3.960 0.001 0.000 0.244 166 G C -0.184 174.765 174.900 0.082 0.000 0.982 166 G CA 0.187 45.358 45.100 0.119 0.000 0.641 166 G HN 0.904 nan 8.290 nan 0.000 0.527 167 R N -1.216 119.326 120.500 0.071 0.000 2.716 167 R HA 0.641 4.981 4.340 0.001 0.000 0.271 167 R C 0.355 176.682 176.300 0.046 0.000 1.028 167 R CA -0.495 55.638 56.100 0.055 0.000 0.883 167 R CB 0.195 30.520 30.300 0.042 0.000 1.250 167 R HN 0.949 nan 8.270 nan 0.000 0.465 168 G N 1.363 110.192 108.800 0.048 0.000 2.544 168 G HA2 0.355 4.315 3.960 0.001 0.000 0.242 168 G HA3 0.355 4.315 3.960 0.001 0.000 0.242 168 G C -0.096 174.816 174.900 0.020 0.000 1.247 168 G CA -0.848 44.273 45.100 0.035 0.000 0.840 168 G HN 0.382 nan 8.290 nan 0.000 0.578 169 L N 0.197 121.428 121.223 0.013 0.000 2.418 169 L HA 0.402 4.743 4.340 0.001 0.000 0.265 169 L C 0.235 177.132 176.870 0.044 0.000 1.143 169 L CA -0.472 54.377 54.840 0.015 0.000 0.809 169 L CB 0.893 43.004 42.059 0.087 0.000 1.124 169 L HN 0.211 nan 8.230 nan 0.000 0.456 170 L N 1.273 122.513 121.223 0.028 0.000 2.333 170 L HA 0.662 5.002 4.340 0.001 0.000 0.280 170 L C 0.276 177.212 176.870 0.110 0.000 1.004 170 L CA -0.288 54.604 54.840 0.086 0.000 0.820 170 L CB 1.718 43.815 42.059 0.063 0.000 1.247 170 L HN 0.718 nan 8.230 nan 0.000 0.416 171 G N 0.909 109.792 108.800 0.139 0.000 3.042 171 G HA2 0.662 4.622 3.960 0.001 0.000 0.278 171 G HA3 0.662 4.622 3.960 0.001 0.000 0.278 171 G C -1.760 173.168 174.900 0.046 0.000 1.371 171 G CA -0.536 44.616 45.100 0.087 0.000 1.009 171 G HN 0.684 nan 8.290 nan 0.000 0.523 172 C N -0.302 118.968 119.300 -0.050 0.000 3.234 172 C HA 0.595 5.055 4.460 0.001 0.000 0.439 172 C C -0.442 174.500 174.990 -0.081 0.000 0.946 172 C CA -0.518 58.487 59.018 -0.020 0.000 1.193 172 C CB 0.460 28.212 27.740 0.019 0.000 1.579 172 C HN 0.868 nan 8.230 nan 0.000 0.614 173 T N 7.146 121.679 114.554 -0.034 0.000 2.780 173 T HA 0.417 4.767 4.350 0.001 0.000 0.294 173 T C 0.543 175.237 174.700 -0.011 0.000 0.949 173 T CA -0.333 61.757 62.100 -0.016 0.000 1.074 173 T CB 0.421 69.312 68.868 0.039 0.000 0.910 173 T HN 0.588 nan 8.240 nan 0.000 0.501 174 I N 3.919 124.468 120.570 -0.035 0.000 2.710 174 I HA 0.150 4.321 4.170 0.001 0.000 0.286 174 I C 0.674 176.761 176.117 -0.050 0.000 1.181 174 I CA 0.280 61.495 61.300 -0.141 0.000 1.430 174 I CB -0.188 37.492 38.000 -0.533 0.000 1.367 174 I HN 0.453 nan 8.210 nan 0.000 0.577 175 K N 6.538 126.909 120.400 -0.048 0.000 2.443 175 K HA 0.566 4.887 4.320 0.001 0.000 0.251 175 K C -2.433 174.166 176.600 -0.003 0.000 0.972 175 K CA -1.713 54.579 56.287 0.008 0.000 0.833 175 K CB 1.542 34.060 32.500 0.030 0.000 1.317 175 K HN 0.287 nan 8.250 nan 0.000 0.441 176 P HA 0.137 nan 4.420 nan 0.000 0.269 176 P C 0.280 177.610 177.300 0.051 0.000 1.215 176 P CA -0.144 62.968 63.100 0.021 0.000 0.780 176 P CB 0.871 32.566 31.700 -0.009 0.000 0.898 177 K N 0.477 120.907 120.400 0.050 0.000 2.015 177 K HA -0.114 4.206 4.320 0.001 0.000 0.216 177 K C 0.858 177.521 176.600 0.106 0.000 1.052 177 K CA 1.337 57.674 56.287 0.083 0.000 0.937 177 K CB -0.343 32.187 32.500 0.050 0.000 0.719 177 K HN 0.401 nan 8.250 nan 0.000 0.446 178 L N -2.171 119.042 121.223 -0.016 0.000 2.301 178 L HA 0.409 4.749 4.340 0.001 0.000 0.264 178 L C 0.909 177.477 176.870 -0.503 0.000 1.016 178 L CA -0.245 54.466 54.840 -0.214 0.000 0.821 178 L CB 2.122 44.069 42.059 -0.185 0.000 1.346 178 L HN 0.528 nan 8.230 nan 0.000 0.429 179 G N 0.826 108.875 108.800 -1.252 0.000 2.238 179 G HA2 -0.194 3.766 3.960 0.001 0.000 0.217 179 G HA3 -0.194 3.766 3.960 0.001 0.000 0.217 179 G C -0.090 174.637 174.900 -0.287 0.000 0.996 179 G CA -0.534 44.073 45.100 -0.822 0.000 0.632 179 G HN 0.312 nan 8.290 nan 0.000 0.503 180 L N 2.579 123.784 121.223 -0.029 0.000 2.371 180 L HA 0.518 4.859 4.340 0.001 0.000 0.272 180 L C 1.527 178.598 176.870 0.335 0.000 1.124 180 L CA 0.049 55.004 54.840 0.192 0.000 0.816 180 L CB 1.348 43.583 42.059 0.294 0.000 1.129 180 L HN 0.491 nan 8.230 nan 0.000 0.448 181 S N 1.927 117.766 115.700 0.231 0.000 2.593 181 S HA 0.246 4.717 4.470 0.001 0.000 0.269 181 S C 1.140 175.855 174.600 0.192 0.000 1.334 181 S CA -0.159 58.161 58.200 0.199 0.000 1.015 181 S CB 1.534 64.796 63.200 0.102 0.000 0.912 181 S HN 0.711 nan 8.310 nan 0.000 0.541 182 A N 1.745 124.665 122.820 0.166 0.000 1.917 182 A HA -0.161 4.160 4.320 0.001 0.000 0.219 182 A C 2.134 179.768 177.584 0.084 0.000 1.182 182 A CA 2.183 54.356 52.037 0.227 0.000 0.633 182 A CB -1.057 18.164 19.000 0.368 0.000 0.819 182 A HN 0.973 nan 8.150 nan 0.000 0.448 183 K N -0.186 120.023 120.400 -0.317 0.000 2.057 183 K HA -0.102 4.218 4.320 0.001 0.000 0.206 183 K C 1.693 178.118 176.600 -0.291 0.000 1.050 183 K CA 1.647 57.440 56.287 -0.824 0.000 0.935 183 K CB -0.223 31.763 32.500 -0.857 0.000 0.715 183 K HN 0.396 nan 8.250 nan 0.000 0.439 184 N N -0.294 118.347 118.700 -0.098 0.000 2.166 184 N HA -0.157 4.583 4.740 0.001 0.000 0.186 184 N C 1.498 177.036 175.510 0.046 0.000 1.019 184 N CA 1.050 54.093 53.050 -0.010 0.000 0.856 184 N CB -0.350 38.152 38.487 0.025 0.000 0.993 184 N HN 0.244 nan 8.380 nan 0.000 0.426 185 Y N 1.291 121.594 120.300 0.004 0.000 2.070 185 Y HA -0.147 4.404 4.550 0.001 0.000 0.280 185 Y C 2.504 178.413 175.900 0.014 0.000 1.148 185 Y CA 1.973 60.098 58.100 0.041 0.000 1.125 185 Y CB -0.744 37.770 38.460 0.090 0.000 0.975 185 Y HN 0.081 nan 8.280 nan 0.000 0.492 186 G N -0.540 108.363 108.800 0.172 0.000 2.442 186 G HA2 -0.332 3.628 3.960 0.001 0.000 0.219 186 G HA3 -0.332 3.628 3.960 0.001 0.000 0.219 186 G C 1.740 176.689 174.900 0.081 0.000 1.141 186 G CA 0.997 46.165 45.100 0.114 0.000 0.763 186 G HN 0.364 nan 8.290 nan 0.000 0.554 187 R N 0.614 121.134 120.500 0.034 0.000 2.080 187 R HA -0.023 4.317 4.340 0.001 0.000 0.236 187 R C 2.819 179.160 176.300 0.069 0.000 1.137 187 R CA 1.758 57.898 56.100 0.067 0.000 0.943 187 R CB -0.501 29.805 30.300 0.011 0.000 0.846 187 R HN 0.263 nan 8.270 nan 0.000 0.431 188 A N 0.280 123.096 122.820 -0.007 0.000 1.933 188 A HA -0.079 4.242 4.320 0.001 0.000 0.218 188 A C 2.296 179.850 177.584 -0.049 0.000 1.175 188 A CA 1.534 53.539 52.037 -0.053 0.000 0.628 188 A CB -0.464 18.458 19.000 -0.129 0.000 0.814 188 A HN 0.255 nan 8.150 nan 0.000 0.444 189 V N -1.136 118.761 119.914 -0.028 0.000 2.261 189 V HA -0.281 3.840 4.120 0.001 0.000 0.246 189 V C 2.376 178.502 176.094 0.054 0.000 1.047 189 V CA 2.151 64.462 62.300 0.017 0.000 1.015 189 V CB -1.070 30.752 31.823 -0.003 0.000 0.642 189 V HN 0.748 nan 8.190 nan 0.000 0.446 190 Y N 1.550 121.844 120.300 -0.011 0.000 2.128 190 Y HA -0.241 4.310 4.550 0.001 0.000 0.284 190 Y C 2.558 178.457 175.900 -0.001 0.000 1.154 190 Y CA 2.025 60.125 58.100 0.001 0.000 1.149 190 Y CB -0.419 38.047 38.460 0.010 0.000 0.976 190 Y HN 0.266 nan 8.280 nan 0.000 0.505 191 E N -0.321 119.644 120.200 -0.391 0.000 2.110 191 E HA -0.210 4.140 4.350 0.001 0.000 0.193 191 E C 2.491 178.936 176.600 -0.257 0.000 0.988 191 E CA 1.369 57.520 56.400 -0.416 0.000 0.804 191 E CB -0.923 28.668 29.700 -0.181 0.000 0.745 191 E HN 0.564 nan 8.360 nan 0.000 0.458 192 C N 0.585 119.796 119.300 -0.149 0.000 2.473 192 C HA -0.073 4.387 4.460 0.001 0.000 0.279 192 C C 2.895 177.825 174.990 -0.099 0.000 1.250 192 C CA 0.368 59.328 59.018 -0.096 0.000 1.713 192 C CB -1.172 26.539 27.740 -0.048 0.000 2.066 192 C HN 0.366 nan 8.230 nan 0.000 0.474 193 L N 1.329 122.504 121.223 -0.080 0.000 2.042 193 L HA -0.193 4.147 4.340 0.001 0.000 0.210 193 L C 2.879 179.698 176.870 -0.085 0.000 1.076 193 L CA 2.017 56.823 54.840 -0.057 0.000 0.749 193 L CB -0.794 41.265 42.059 0.001 0.000 0.893 193 L HN 0.491 nan 8.230 nan 0.000 0.432 194 R N 0.503 120.908 120.500 -0.158 0.000 2.193 194 R HA -0.073 4.267 4.340 0.001 0.000 0.229 194 R C 1.908 178.139 176.300 -0.116 0.000 1.110 194 R CA 1.315 57.326 56.100 -0.149 0.000 0.988 194 R CB -0.706 29.407 30.300 -0.310 0.000 0.871 194 R HN 0.277 nan 8.270 nan 0.000 0.458 195 G N -0.660 108.064 108.800 -0.127 0.000 2.880 195 G HA2 0.251 4.211 3.960 0.001 0.000 0.209 195 G HA3 0.251 4.211 3.960 0.001 0.000 0.209 195 G C 0.881 175.736 174.900 -0.075 0.000 1.157 195 G CA 0.270 45.311 45.100 -0.098 0.000 0.779 195 G HN 0.584 nan 8.290 nan 0.000 0.539 196 G N -0.783 107.975 108.800 -0.070 0.000 2.370 196 G HA2 -0.153 3.807 3.960 0.001 0.000 0.174 196 G HA3 -0.153 3.807 3.960 0.001 0.000 0.174 196 G C 0.221 175.080 174.900 -0.068 0.000 1.002 196 G CA -0.423 44.641 45.100 -0.060 0.000 0.730 196 G HN 0.304 nan 8.290 nan 0.000 0.497 197 L N 1.459 122.640 121.223 -0.070 0.000 2.397 197 L HA 0.365 4.706 4.340 0.001 0.000 0.271 197 L C 1.004 177.802 176.870 -0.119 0.000 1.148 197 L CA -0.661 54.139 54.840 -0.067 0.000 0.825 197 L CB 0.699 42.736 42.059 -0.036 0.000 1.117 197 L HN 0.001 nan 8.230 nan 0.000 0.456 198 D N 1.652 121.931 120.400 -0.200 0.000 2.213 198 D HA 0.044 4.684 4.640 0.001 0.000 0.205 198 D C -0.122 175.826 176.300 -0.586 0.000 0.961 198 D CA 1.460 55.186 54.000 -0.456 0.000 0.853 198 D CB 0.338 40.732 40.800 -0.675 0.000 0.967 198 D HN 0.143 nan 8.370 nan 0.000 0.496 199 F N -0.207 119.715 119.950 -0.048 0.000 2.613 199 F HA 0.314 4.842 4.527 0.001 0.000 0.314 199 F C 0.589 176.247 175.800 -0.237 0.000 1.075 199 F CA -1.057 56.855 58.000 -0.147 0.000 0.945 199 F CB 1.706 40.586 39.000 -0.201 0.000 1.310 199 F HN -0.348 nan 8.300 nan 0.000 0.467 203 D N 1.201 121.730 120.400 0.215 0.000 2.419 203 D HA -0.037 4.603 4.640 0.001 0.000 0.236 203 D C 1.567 177.860 176.300 -0.013 0.000 1.165 203 D CA 0.112 54.167 54.000 0.093 0.000 0.882 203 D CB 1.033 41.901 40.800 0.113 0.000 1.201 203 D HN 0.419 nan 8.370 nan 0.000 0.443 204 E N 2.538 122.610 120.200 -0.213 0.000 2.130 204 E HA -0.279 4.071 4.350 0.001 0.000 0.196 204 E C 0.761 177.261 176.600 -0.168 0.000 0.998 204 E CA 1.361 57.529 56.400 -0.387 0.000 0.806 204 E CB -0.439 28.665 29.700 -0.993 0.000 0.738 204 E HN 0.519 nan 8.360 nan 0.000 0.459 205 N N 0.978 119.629 118.700 -0.081 0.000 2.336 205 N HA 0.000 4.740 4.740 0.001 0.000 0.189 205 N C 0.065 175.607 175.510 0.054 0.000 1.113 205 N CA -0.021 53.020 53.050 -0.014 0.000 0.858 205 N CB 0.079 38.568 38.487 0.004 0.000 0.970 205 N HN -0.032 nan 8.380 nan 0.000 0.471 206 V N 1.921 121.880 119.914 0.075 0.000 2.387 206 V HA 0.178 4.298 4.120 0.001 0.000 0.260 206 V C 0.255 176.390 176.094 0.070 0.000 1.054 206 V CA -0.185 62.179 62.300 0.107 0.000 0.967 206 V CB -0.491 31.403 31.823 0.118 0.000 1.036 206 V HN 0.308 nan 8.190 nan 0.000 0.481 207 N N 2.552 121.278 118.700 0.044 0.000 2.833 207 N HA 0.266 5.006 4.740 0.001 0.000 0.168 207 N C -0.228 175.305 175.510 0.037 0.000 1.383 207 N CA -0.423 52.645 53.050 0.031 0.000 1.103 207 N CB 0.574 39.056 38.487 -0.007 0.000 1.235 207 N HN 0.493 nan 8.380 nan 0.000 0.437 208 S N 0.100 115.799 115.700 -0.002 0.000 2.614 208 S HA 0.488 4.959 4.470 0.001 0.000 0.288 208 S C -1.723 172.797 174.600 -0.132 0.000 1.137 208 S CA -0.395 57.804 58.200 -0.001 0.000 0.992 208 S CB 1.266 64.581 63.200 0.192 0.000 1.026 208 S HN 0.270 nan 8.310 nan 0.000 0.486 209 Q N 3.152 122.756 119.800 -0.326 0.000 2.501 209 Q HA 0.459 4.799 4.340 0.001 0.000 0.288 209 Q C -2.129 173.582 176.000 -0.482 0.000 1.051 209 Q CA -1.711 53.814 55.803 -0.463 0.000 0.788 209 Q CB 1.740 29.989 28.738 -0.813 0.000 1.469 209 Q HN 0.268 nan 8.270 nan 0.000 0.416 210 P HA -0.172 nan 4.420 nan 0.000 0.216 210 P C 0.574 177.812 177.300 -0.104 0.000 1.150 210 P CA 1.358 64.380 63.100 -0.128 0.000 0.843 210 P CB 0.043 31.743 31.700 0.001 0.000 0.787 211 F N -2.552 117.411 119.950 0.021 0.000 2.558 211 F HA 0.269 4.796 4.527 0.001 0.000 0.298 211 F C 0.979 176.796 175.800 0.029 0.000 1.119 211 F CA 0.143 58.159 58.000 0.027 0.000 1.451 211 F CB -0.581 38.440 39.000 0.035 0.000 1.091 211 F HN -0.183 nan 8.300 nan 0.000 0.563 212 M N 1.368 120.718 119.600 -0.416 0.000 2.331 212 M HA 0.333 4.813 4.480 0.001 0.000 0.228 212 M C -1.473 174.672 176.300 -0.258 0.000 0.986 212 M CA -0.506 54.677 55.300 -0.196 0.000 0.972 212 M CB 1.044 33.633 32.600 -0.019 0.000 2.359 212 M HN -0.191 nan 8.290 nan 0.000 0.459 213 R N 3.929 124.332 120.500 -0.162 0.000 2.410 213 R HA 0.242 4.582 4.340 0.001 0.000 0.288 213 R C 1.121 177.321 176.300 -0.168 0.000 1.051 213 R CA -0.195 55.798 56.100 -0.178 0.000 1.021 213 R CB 0.650 30.820 30.300 -0.217 0.000 1.032 213 R HN 0.953 nan 8.270 nan 0.000 0.481 214 W N 4.341 125.520 121.300 -0.201 0.000 2.321 214 W HA -0.213 4.448 4.660 0.001 0.000 0.306 214 W C 1.023 177.335 176.519 -0.344 0.000 1.217 214 W CA 0.900 58.090 57.345 -0.259 0.000 1.257 214 W CB -0.442 28.786 29.460 -0.387 0.000 1.145 214 W HN 0.548 nan 8.180 nan 0.000 0.509 215 R N 0.870 120.656 120.500 -1.190 0.000 2.153 215 R HA -0.104 4.236 4.340 0.001 0.000 0.218 215 R C 1.792 177.826 176.300 -0.444 0.000 1.072 215 R CA 1.634 57.057 56.100 -1.129 0.000 0.990 215 R CB -0.253 29.154 30.300 -1.489 0.000 0.889 215 R HN -0.001 nan 8.270 nan 0.000 0.452 216 D N 0.056 120.258 120.400 -0.330 0.000 2.097 216 D HA -0.182 4.458 4.640 0.001 0.000 0.197 216 D C 1.823 178.147 176.300 0.041 0.000 0.984 216 D CA 0.984 54.889 54.000 -0.157 0.000 0.826 216 D CB -0.185 40.594 40.800 -0.034 0.000 0.973 216 D HN 0.205 nan 8.370 nan 0.000 0.460 217 R N -0.153 120.425 120.500 0.129 0.000 2.080 217 R HA -0.166 4.174 4.340 0.001 0.000 0.236 217 R C 2.269 178.766 176.300 0.328 0.000 1.137 217 R CA 1.203 57.455 56.100 0.254 0.000 0.943 217 R CB -0.397 30.015 30.300 0.186 0.000 0.846 217 R HN 0.024 nan 8.270 nan 0.000 0.431 218 F N 1.111 121.095 119.950 0.057 0.000 2.120 218 F HA -0.224 4.303 4.527 0.001 0.000 0.300 218 F C 2.274 178.083 175.800 0.015 0.000 1.095 218 F CA 1.104 59.153 58.000 0.081 0.000 1.249 218 F CB -0.761 38.340 39.000 0.169 0.000 0.995 218 F HN 0.093 nan 8.300 nan 0.000 0.480 219 L N -1.849 119.445 121.223 0.118 0.000 2.027 219 L HA -0.234 4.106 4.340 0.001 0.000 0.206 219 L C 2.495 179.329 176.870 -0.060 0.000 1.074 219 L CA 1.283 56.091 54.840 -0.052 0.000 0.745 219 L CB -0.586 41.320 42.059 -0.256 0.000 0.898 219 L HN 0.037 nan 8.230 nan 0.000 0.433 220 F N -0.847 119.138 119.950 0.058 0.000 2.186 220 F HA -0.174 4.353 4.527 0.001 0.000 0.299 220 F C 2.396 178.207 175.800 0.019 0.000 1.090 220 F CA 0.891 58.916 58.000 0.041 0.000 1.307 220 F CB -0.971 38.061 39.000 0.053 0.000 1.019 220 F HN -0.198 nan 8.300 nan 0.000 0.489 221 V N -0.199 119.818 119.914 0.171 0.000 2.407 221 V HA -0.286 3.834 4.120 0.001 0.000 0.248 221 V C 2.567 178.633 176.094 -0.046 0.000 1.055 221 V CA 1.666 63.960 62.300 -0.009 0.000 1.049 221 V CB -1.266 30.443 31.823 -0.191 0.000 0.662 221 V HN 0.344 nan 8.190 nan 0.000 0.455 222 A N -0.599 122.207 122.820 -0.024 0.000 1.902 222 A HA -0.274 4.047 4.320 0.001 0.000 0.217 222 A C 2.275 179.838 177.584 -0.035 0.000 1.181 222 A CA 1.974 53.949 52.037 -0.103 0.000 0.623 222 A CB -0.510 18.518 19.000 0.046 0.000 0.818 222 A HN 0.608 nan 8.150 nan 0.000 0.443 223 E N -0.147 120.109 120.200 0.094 0.000 2.058 223 E HA -0.192 4.159 4.350 0.001 0.000 0.194 223 E C 2.206 178.853 176.600 0.079 0.000 0.997 223 E CA 1.195 57.674 56.400 0.132 0.000 0.801 223 E CB -0.262 29.522 29.700 0.141 0.000 0.746 223 E HN 0.544 nan 8.360 nan 0.000 0.450 224 A N 0.988 123.847 122.820 0.066 0.000 1.902 224 A HA -0.181 4.139 4.320 0.001 0.000 0.217 224 A C 2.171 179.811 177.584 0.093 0.000 1.181 224 A CA 1.415 53.510 52.037 0.097 0.000 0.623 224 A CB -0.649 18.427 19.000 0.126 0.000 0.818 224 A HN 0.327 nan 8.150 nan 0.000 0.443 225 I N -1.878 118.670 120.570 -0.037 0.000 2.163 225 I HA -0.286 3.884 4.170 0.001 0.000 0.243 225 I C 2.330 178.411 176.117 -0.060 0.000 1.085 225 I CA 1.499 62.730 61.300 -0.114 0.000 1.347 225 I CB -0.407 37.396 38.000 -0.328 0.000 1.044 225 I HN 0.389 nan 8.210 nan 0.000 0.408 226 Y N 0.611 120.953 120.300 0.071 0.000 2.314 226 Y HA -0.136 4.414 4.550 0.001 0.000 0.293 226 Y C 2.492 178.419 175.900 0.045 0.000 1.129 226 Y CA 0.838 58.968 58.100 0.051 0.000 1.201 226 Y CB -0.624 37.857 38.460 0.036 0.000 0.999 226 Y HN 0.088 nan 8.280 nan 0.000 0.541 227 K N 0.295 120.795 120.400 0.167 0.000 2.025 227 K HA -0.132 4.188 4.320 0.001 0.000 0.207 227 K C 2.275 178.987 176.600 0.186 0.000 1.049 227 K CA 1.201 57.535 56.287 0.079 0.000 0.933 227 K CB -0.226 32.175 32.500 -0.165 0.000 0.714 227 K HN 0.214 nan 8.250 nan 0.000 0.438 228 A N 0.936 123.919 122.820 0.271 0.000 1.930 228 A HA -0.196 4.124 4.320 0.001 0.000 0.217 228 A C 2.064 179.733 177.584 0.141 0.000 1.175 228 A CA 1.472 53.663 52.037 0.257 0.000 0.627 228 A CB -0.537 18.583 19.000 0.199 0.000 0.815 228 A HN 0.546 nan 8.150 nan 0.000 0.443 229 Q N -0.418 119.460 119.800 0.129 0.000 2.050 229 Q HA -0.129 4.211 4.340 0.001 0.000 0.202 229 Q C 2.165 178.224 176.000 0.099 0.000 0.980 229 Q CA 1.694 57.561 55.803 0.106 0.000 0.840 229 Q CB -0.349 28.475 28.738 0.143 0.000 0.898 229 Q HN 0.593 nan 8.270 nan 0.000 0.424 230 A N 0.577 123.466 122.820 0.114 0.000 1.930 230 A HA -0.231 4.089 4.320 0.001 0.000 0.217 230 A C 1.885 179.514 177.584 0.075 0.000 1.175 230 A CA 1.614 53.701 52.037 0.083 0.000 0.627 230 A CB -0.634 18.411 19.000 0.075 0.000 0.815 230 A HN 0.617 nan 8.150 nan 0.000 0.443 231 E N -0.476 119.783 120.200 0.098 0.000 2.047 231 E HA -0.171 4.179 4.350 0.001 0.000 0.191 231 E C 2.069 178.709 176.600 0.065 0.000 0.987 231 E CA 1.860 58.317 56.400 0.096 0.000 0.799 231 E CB -0.079 29.714 29.700 0.155 0.000 0.752 231 E HN 0.733 nan 8.360 nan 0.000 0.449 232 T N -3.822 110.766 114.554 0.058 0.000 3.051 232 T HA 0.210 4.560 4.350 0.001 0.000 0.255 232 T C 1.553 176.268 174.700 0.025 0.000 1.085 232 T CA 0.732 62.851 62.100 0.032 0.000 1.109 232 T CB 0.421 69.299 68.868 0.017 0.000 0.921 232 T HN 0.347 nan 8.240 nan 0.000 0.488 233 G N 1.188 110.008 108.800 0.033 0.000 2.162 233 G HA2 -0.224 3.737 3.960 0.001 0.000 0.260 233 G HA3 -0.224 3.737 3.960 0.001 0.000 0.260 233 G C -0.246 174.665 174.900 0.017 0.000 0.976 233 G CA 0.302 45.417 45.100 0.026 0.000 0.655 233 G HN 0.685 nan 8.290 nan 0.000 0.533 234 E N -0.485 119.720 120.200 0.009 0.000 2.207 234 E HA 0.535 4.885 4.350 0.001 0.000 0.270 234 E C 0.236 176.830 176.600 -0.011 0.000 0.927 234 E CA -1.087 55.306 56.400 -0.012 0.000 0.799 234 E CB 2.486 32.165 29.700 -0.035 0.000 1.172 234 E HN 0.060 nan 8.360 nan 0.000 0.404 235 V N 3.764 123.664 119.914 -0.025 0.000 2.599 235 V HA -0.027 4.093 4.120 0.001 0.000 0.300 235 V C 0.266 176.323 176.094 -0.062 0.000 1.034 235 V CA 0.514 62.803 62.300 -0.018 0.000 1.115 235 V CB -0.086 31.725 31.823 -0.020 0.000 0.934 235 V HN 0.513 nan 8.190 nan 0.000 0.485 236 K N 3.189 123.578 120.400 -0.018 0.000 2.295 236 K HA 0.853 5.174 4.320 0.001 0.000 0.239 236 K C 0.054 176.681 176.600 0.045 0.000 0.991 236 K CA -0.429 55.837 56.287 -0.034 0.000 0.845 236 K CB 2.363 34.861 32.500 -0.003 0.000 1.197 236 K HN 0.832 nan 8.250 nan 0.000 0.441 237 G N -0.012 108.871 108.800 0.138 0.000 2.684 237 G HA2 0.410 4.370 3.960 0.001 0.000 0.290 237 G HA3 0.410 4.370 3.960 0.001 0.000 0.290 237 G C -1.948 173.152 174.900 0.334 0.000 1.425 237 G CA -0.277 45.013 45.100 0.316 0.000 0.822 237 G HN 0.559 nan 8.290 nan 0.000 0.482 238 H N 0.225 119.372 119.070 0.128 0.000 3.017 238 H HA 0.291 4.847 4.556 0.001 0.000 0.340 238 H C -1.233 174.108 175.328 0.023 0.000 1.014 238 H CA -0.575 55.471 56.048 -0.005 0.000 1.341 238 H CB 1.297 31.049 29.762 -0.016 0.000 1.739 238 H HN 0.388 nan 8.280 nan 0.000 0.506 239 Y N 5.620 125.670 120.300 -0.417 0.000 2.680 239 Y HA 0.126 4.676 4.550 0.001 0.000 0.356 239 Y C 0.684 176.480 175.900 -0.174 0.000 1.122 239 Y CA -0.583 57.338 58.100 -0.298 0.000 1.509 239 Y CB -0.691 37.550 38.460 -0.364 0.000 1.245 239 Y HN 0.317 nan 8.280 nan 0.000 0.513 240 L N 3.585 124.831 121.223 0.038 0.000 2.360 240 L HA 0.164 4.505 4.340 0.001 0.000 0.276 240 L C 0.662 177.528 176.870 -0.006 0.000 1.121 240 L CA 0.038 54.798 54.840 -0.132 0.000 0.845 240 L CB 0.379 41.943 42.059 -0.826 0.000 1.143 240 L HN 0.595 nan 8.230 nan 0.000 0.452 241 N N 1.801 120.593 118.700 0.153 0.000 2.420 241 N HA 0.198 4.938 4.740 0.001 0.000 0.262 241 N C 0.611 176.259 175.510 0.230 0.000 1.144 241 N CA -0.099 53.061 53.050 0.184 0.000 0.952 241 N CB 1.084 39.666 38.487 0.158 0.000 1.081 241 N HN 0.781 nan 8.380 nan 0.000 0.480 242 A N 2.638 125.549 122.820 0.152 0.000 2.238 242 A HA 0.057 4.378 4.320 0.001 0.000 0.210 242 A C 0.694 178.290 177.584 0.020 0.000 1.179 242 A CA 0.069 52.137 52.037 0.052 0.000 0.827 242 A CB -0.010 18.991 19.000 0.001 0.000 0.856 242 A HN 0.592 nan 8.150 nan 0.000 0.488 243 T N 1.705 116.331 114.554 0.120 0.000 2.908 243 T HA 0.443 4.793 4.350 0.001 0.000 0.301 243 T C 0.189 174.882 174.700 -0.011 0.000 1.019 243 T CA 0.892 63.062 62.100 0.116 0.000 1.152 243 T CB 0.648 69.533 68.868 0.029 0.000 0.966 243 T HN 0.768 nan 8.240 nan 0.000 0.540 244 A N 2.304 125.112 122.820 -0.020 0.000 2.581 244 A HA 0.796 5.117 4.320 0.001 0.000 0.290 244 A C 1.226 178.780 177.584 -0.050 0.000 1.119 244 A CA -0.307 51.683 52.037 -0.078 0.000 0.670 244 A CB 0.587 19.493 19.000 -0.156 0.000 1.280 244 A HN 0.759 nan 8.150 nan 0.000 0.425 245 G N -0.756 108.009 108.800 -0.058 0.000 2.464 245 G HA2 0.360 4.320 3.960 0.001 0.000 0.217 245 G HA3 0.360 4.320 3.960 0.001 0.000 0.217 245 G C 0.658 175.534 174.900 -0.040 0.000 1.138 245 G CA 1.747 46.822 45.100 -0.042 0.000 0.793 245 G HN 1.646 nan 8.290 nan 0.000 0.539 246 T N -4.087 110.434 114.554 -0.054 0.000 2.896 246 T HA 0.297 4.647 4.350 0.001 0.000 0.297 246 T C 0.910 175.567 174.700 -0.071 0.000 1.108 246 T CA -0.265 61.804 62.100 -0.051 0.000 1.004 246 T CB 1.383 70.222 68.868 -0.048 0.000 1.159 246 T HN -0.063 nan 8.240 nan 0.000 0.499 247 C N 0.754 120.016 119.300 -0.064 0.000 2.425 247 C HA -0.023 4.437 4.460 0.001 0.000 0.277 247 C C 2.585 177.508 174.990 -0.112 0.000 1.280 247 C CA 0.829 59.795 59.018 -0.086 0.000 1.744 247 C CB -1.373 26.328 27.740 -0.065 0.000 1.989 247 C HN 1.010 nan 8.230 nan 0.000 0.491 248 E N 0.974 121.119 120.200 -0.091 0.000 2.077 248 E HA -0.144 4.207 4.350 0.001 0.000 0.193 248 E C 2.243 178.765 176.600 -0.130 0.000 0.989 248 E CA 0.982 57.325 56.400 -0.095 0.000 0.800 248 E CB -0.275 29.388 29.700 -0.062 0.000 0.746 248 E HN 0.538 nan 8.360 nan 0.000 0.452 249 E N 0.164 120.280 120.200 -0.140 0.000 2.072 249 E HA -0.159 4.191 4.350 0.001 0.000 0.191 249 E C 2.033 178.442 176.600 -0.318 0.000 0.985 249 E CA 0.773 57.046 56.400 -0.211 0.000 0.801 249 E CB -0.284 29.308 29.700 -0.179 0.000 0.750 249 E HN 0.325 nan 8.360 nan 0.000 0.452 250 M N -0.156 119.296 119.600 -0.247 0.000 2.080 250 M HA -0.195 4.286 4.480 0.001 0.000 0.260 250 M C 1.933 178.049 176.300 -0.306 0.000 1.068 250 M CA 1.393 56.538 55.300 -0.258 0.000 1.109 250 M CB 0.009 32.492 32.600 -0.195 0.000 1.342 250 M HN 0.028 nan 8.290 nan 0.000 0.405 251 M N 0.110 119.537 119.600 -0.288 0.000 2.175 251 M HA -0.158 4.322 4.480 0.001 0.000 0.264 251 M C 1.932 178.036 176.300 -0.327 0.000 1.063 251 M CA 1.667 56.755 55.300 -0.352 0.000 1.119 251 M CB -1.196 31.230 32.600 -0.291 0.000 1.377 251 M HN 0.255 nan 8.290 nan 0.000 0.415 252 K N -0.067 120.174 120.400 -0.265 0.000 2.074 252 K HA -0.171 4.149 4.320 0.001 0.000 0.209 252 K C 2.139 178.559 176.600 -0.300 0.000 1.048 252 K CA 1.493 57.658 56.287 -0.204 0.000 0.926 252 K CB -0.072 32.345 32.500 -0.137 0.000 0.713 252 K HN 0.296 nan 8.250 nan 0.000 0.444 253 R N -0.141 119.996 120.500 -0.605 0.000 2.073 253 R HA -0.040 4.301 4.340 0.001 0.000 0.229 253 R C 2.366 178.666 176.300 -0.001 0.000 1.120 253 R CA 1.173 56.882 56.100 -0.651 0.000 0.967 253 R CB -0.288 29.515 30.300 -0.828 0.000 0.862 253 R HN 0.171 nan 8.270 nan 0.000 0.436 254 A N 1.170 123.921 122.820 -0.114 0.000 1.877 254 A HA -0.043 4.278 4.320 0.001 0.000 0.216 254 A C 1.369 178.989 177.584 0.060 0.000 1.186 254 A CA 0.827 52.836 52.037 -0.046 0.000 0.620 254 A CB -0.548 18.270 19.000 -0.304 0.000 0.822 254 A HN 0.055 nan 8.150 nan 0.000 0.443 258 K N 0.813 121.348 120.400 0.226 0.000 2.032 258 K HA -0.180 4.141 4.320 0.001 0.000 0.209 258 K C 1.449 178.146 176.600 0.161 0.000 1.048 258 K CA 2.025 58.429 56.287 0.195 0.000 0.927 258 K CB -0.176 32.469 32.500 0.242 0.000 0.712 258 K HN 0.626 nan 8.250 nan 0.000 0.441 259 E N 0.290 120.592 120.200 0.169 0.000 2.274 259 E HA -0.098 4.252 4.350 0.001 0.000 0.194 259 E C 1.826 178.509 176.600 0.139 0.000 0.996 259 E CA 0.574 57.057 56.400 0.138 0.000 0.840 259 E CB 0.084 29.861 29.700 0.127 0.000 0.772 259 E HN 0.338 nan 8.360 nan 0.000 0.491 260 L N -0.595 120.731 121.223 0.172 0.000 2.509 260 L HA 0.137 4.478 4.340 0.001 0.000 0.222 260 L C 1.427 178.441 176.870 0.239 0.000 1.123 260 L CA 0.361 55.318 54.840 0.196 0.000 0.856 260 L CB 0.062 42.243 42.059 0.204 0.000 0.985 260 L HN 0.248 nan 8.230 nan 0.000 0.456 261 G N 0.886 109.802 108.800 0.193 0.000 2.153 261 G HA2 -0.260 3.701 3.960 0.001 0.000 0.252 261 G HA3 -0.260 3.701 3.960 0.001 0.000 0.252 261 G C 0.358 175.396 174.900 0.230 0.000 0.994 261 G CA 0.290 45.508 45.100 0.196 0.000 0.698 261 G HN 0.264 nan 8.290 nan 0.000 0.521 262 V N -2.223 117.793 119.914 0.170 0.000 2.834 262 V HA 0.703 4.823 4.120 0.001 0.000 0.301 262 V C 0.053 176.195 176.094 0.081 0.000 1.066 262 V CA -0.935 61.417 62.300 0.086 0.000 1.052 262 V CB 1.238 33.060 31.823 -0.002 0.000 1.021 262 V HN 0.046 nan 8.190 nan 0.000 0.480 263 P HA 0.178 nan 4.420 nan 0.000 0.222 263 P C 0.171 177.497 177.300 0.044 0.000 1.153 263 P CA 0.949 64.095 63.100 0.076 0.000 0.798 263 P CB 0.473 32.249 31.700 0.127 0.000 0.796 264 I N -0.362 120.236 120.570 0.046 0.000 2.692 264 I HA 0.351 4.521 4.170 0.001 0.000 0.293 264 I C -1.002 175.110 176.117 -0.008 0.000 1.200 264 I CA -1.542 59.751 61.300 -0.012 0.000 1.036 264 I CB 2.246 40.215 38.000 -0.052 0.000 1.258 264 I HN -0.243 nan 8.210 nan 0.000 0.421 265 I N 4.580 125.129 120.570 -0.036 0.000 3.067 265 I HA 0.695 4.865 4.170 0.001 0.000 0.312 265 I C -0.850 175.258 176.117 -0.015 0.000 1.073 265 I CA -0.957 60.337 61.300 -0.010 0.000 1.016 265 I CB 2.153 40.167 38.000 0.024 0.000 1.227 265 I HN 0.688 nan 8.210 nan 0.000 0.456 266 M N 1.712 121.350 119.600 0.063 0.000 2.644 266 M HA 0.631 5.112 4.480 0.001 0.000 0.304 266 M C -1.524 174.881 176.300 0.175 0.000 1.215 266 M CA -0.538 54.834 55.300 0.121 0.000 0.871 266 M CB 2.186 34.928 32.600 0.236 0.000 1.740 266 M HN 0.776 nan 8.290 nan 0.000 0.464 267 H N -0.086 119.008 119.070 0.039 0.000 2.865 267 H HA 0.445 5.001 4.556 0.001 0.000 0.362 267 H C -1.920 173.444 175.328 0.061 0.000 1.114 267 H CA -0.523 55.540 56.048 0.026 0.000 1.208 267 H CB 1.691 31.453 29.762 -0.000 0.000 1.727 267 H HN 0.756 nan 8.280 nan 0.000 0.534 268 D N 5.093 125.235 120.400 -0.430 0.000 2.422 268 D HA -0.005 4.635 4.640 0.001 0.000 0.227 268 D C 0.770 176.729 176.300 -0.569 0.000 1.190 268 D CA -0.147 53.658 54.000 -0.326 0.000 0.905 268 D CB -0.106 40.549 40.800 -0.242 0.000 1.034 268 D HN 0.637 nan 8.370 nan 0.000 0.507 269 Y N 1.108 121.121 120.300 -0.478 0.000 2.352 269 Y HA -0.024 4.527 4.550 0.001 0.000 0.292 269 Y C 1.291 176.895 175.900 -0.493 0.000 1.136 269 Y CA 0.821 58.666 58.100 -0.425 0.000 1.227 269 Y CB -0.415 37.905 38.460 -0.233 0.000 0.991 269 Y HN 0.229 nan 8.280 nan 0.000 0.545 270 L N 0.370 121.062 121.223 -0.884 0.000 2.249 270 L HA -0.020 4.321 4.340 0.001 0.000 0.207 270 L C 2.554 179.153 176.870 -0.452 0.000 1.090 270 L CA 1.362 55.708 54.840 -0.824 0.000 0.802 270 L CB -0.633 40.966 42.059 -0.767 0.000 0.947 270 L HN 0.409 nan 8.230 nan 0.000 0.453 271 T N -3.769 110.580 114.554 -0.341 0.000 2.978 271 T HA 0.028 4.378 4.350 0.001 0.000 0.262 271 T C 1.864 176.450 174.700 -0.189 0.000 1.063 271 T CA 0.751 62.718 62.100 -0.222 0.000 1.140 271 T CB -0.328 68.438 68.868 -0.170 0.000 0.886 271 T HN 0.292 nan 8.240 nan 0.000 0.470 272 G N 1.324 109.977 108.800 -0.243 0.000 2.395 272 G HA2 0.449 4.409 3.960 0.001 0.000 0.214 272 G HA3 0.449 4.409 3.960 0.001 0.000 0.214 272 G C 0.856 175.733 174.900 -0.039 0.000 1.177 272 G CA 0.207 45.248 45.100 -0.098 0.000 0.794 272 G HN 1.223 nan 8.290 nan 0.000 0.532 273 G N -1.872 106.845 108.800 -0.138 0.000 2.587 273 G HA2 -0.010 3.950 3.960 0.001 0.000 0.686 273 G HA3 -0.010 3.950 3.960 0.001 0.000 0.686 273 G C 0.103 174.969 174.900 -0.057 0.000 1.236 273 G CA -0.197 44.805 45.100 -0.165 0.000 0.820 273 G HN 0.075 nan 8.290 nan 0.000 0.645 274 F N 0.702 120.652 119.950 0.000 0.000 2.171 274 F HA -0.015 4.513 4.527 0.001 0.000 0.300 274 F C 3.085 178.905 175.800 0.033 0.000 1.090 274 F CA 2.311 60.321 58.000 0.017 0.000 1.293 274 F CB -0.621 38.333 39.000 -0.077 0.000 1.013 274 F HN 0.560 nan 8.300 nan 0.000 0.486 275 T N -0.156 114.519 114.554 0.202 0.000 2.674 275 T HA -0.180 4.170 4.350 0.001 0.000 0.265 275 T C 2.351 177.095 174.700 0.073 0.000 1.039 275 T CA 1.464 63.635 62.100 0.117 0.000 1.150 275 T CB -0.784 68.132 68.868 0.079 0.000 0.864 275 T HN 0.265 nan 8.240 nan 0.000 0.427 276 A N 2.153 125.008 122.820 0.058 0.000 1.908 276 A HA -0.199 4.121 4.320 0.001 0.000 0.218 276 A C 2.267 179.809 177.584 -0.069 0.000 1.181 276 A CA 1.837 53.870 52.037 -0.008 0.000 0.627 276 A CB -0.938 18.072 19.000 0.017 0.000 0.818 276 A HN 0.558 nan 8.150 nan 0.000 0.445 277 N N -0.621 118.122 118.700 0.071 0.000 2.069 277 N HA -0.161 4.579 4.740 0.001 0.000 0.191 277 N C 1.704 177.240 175.510 0.042 0.000 1.031 277 N CA 2.214 55.312 53.050 0.079 0.000 0.852 277 N CB -0.233 38.440 38.487 0.310 0.000 1.018 277 N HN 0.467 nan 8.380 nan 0.000 0.423 278 T N 0.173 114.785 114.554 0.096 0.000 2.684 278 T HA -0.082 4.268 4.350 0.001 0.000 0.267 278 T C 2.158 176.873 174.700 0.026 0.000 1.036 278 T CA 1.344 63.488 62.100 0.074 0.000 1.148 278 T CB -0.426 68.501 68.868 0.099 0.000 0.863 278 T HN 0.200 nan 8.240 nan 0.000 0.436 279 S N 1.160 116.865 115.700 0.008 0.000 2.365 279 S HA -0.093 4.377 4.470 0.001 0.000 0.225 279 S C 1.940 176.535 174.600 -0.008 0.000 1.039 279 S CA 0.987 59.184 58.200 -0.006 0.000 1.033 279 S CB -0.544 62.638 63.200 -0.030 0.000 0.887 279 S HN 0.254 nan 8.310 nan 0.000 0.447 280 L N 1.653 122.832 121.223 -0.073 0.000 2.046 280 L HA 0.017 4.357 4.340 0.001 0.000 0.208 280 L C 2.383 179.261 176.870 0.013 0.000 1.077 280 L CA 1.908 56.701 54.840 -0.078 0.000 0.747 280 L CB -1.108 40.798 42.059 -0.255 0.000 0.896 280 L HN 0.258 nan 8.230 nan 0.000 0.432 281 A N -0.461 122.352 122.820 -0.013 0.000 1.940 281 A HA -0.210 4.111 4.320 0.001 0.000 0.219 281 A C 2.276 179.850 177.584 -0.017 0.000 1.176 281 A CA 2.186 54.213 52.037 -0.017 0.000 0.631 281 A CB -0.869 18.115 19.000 -0.026 0.000 0.814 281 A HN 0.511 nan 8.150 nan 0.000 0.446 282 I N -2.338 118.236 120.570 0.006 0.000 2.252 282 I HA -0.222 3.948 4.170 0.001 0.000 0.245 282 I C 2.411 178.535 176.117 0.011 0.000 1.102 282 I CA 1.473 62.772 61.300 -0.003 0.000 1.385 282 I CB -0.347 37.658 38.000 0.008 0.000 1.064 282 I HN 0.528 nan 8.210 nan 0.000 0.414 283 Y N 0.934 121.206 120.300 -0.047 0.000 2.181 283 Y HA -0.332 4.218 4.550 0.001 0.000 0.288 283 Y C 2.672 178.559 175.900 -0.022 0.000 1.146 283 Y CA 1.659 59.740 58.100 -0.033 0.000 1.164 283 Y CB -0.345 38.093 38.460 -0.038 0.000 0.982 283 Y HN 0.195 nan 8.280 nan 0.000 0.515 284 C N -0.006 119.333 119.300 0.065 0.000 2.446 284 C HA -0.100 4.360 4.460 0.001 0.000 0.277 284 C C 2.712 177.662 174.990 -0.068 0.000 1.275 284 C CA 1.229 60.263 59.018 0.028 0.000 1.727 284 C CB -1.186 26.599 27.740 0.076 0.000 2.010 284 C HN 0.578 nan 8.230 nan 0.000 0.486 285 R N 1.976 122.381 120.500 -0.157 0.000 2.096 285 R HA -0.140 4.200 4.340 0.001 0.000 0.240 285 R C 1.459 177.668 176.300 -0.152 0.000 1.139 285 R CA 2.183 58.143 56.100 -0.233 0.000 0.952 285 R CB -0.911 29.273 30.300 -0.193 0.000 0.854 285 R HN 0.443 nan 8.270 nan 0.000 0.436 286 D N -0.499 119.799 120.400 -0.170 0.000 2.312 286 D HA -0.043 4.597 4.640 0.001 0.000 0.211 286 D C 0.476 176.650 176.300 -0.211 0.000 0.964 286 D CA 0.867 54.762 54.000 -0.176 0.000 0.877 286 D CB 0.000 40.691 40.800 -0.183 0.000 0.924 286 D HN 0.394 nan 8.370 nan 0.000 0.515 287 N N -0.718 117.821 118.700 -0.269 0.000 2.159 287 N HA 0.117 4.857 4.740 0.001 0.000 0.217 287 N C 0.770 176.245 175.510 -0.058 0.000 1.223 287 N CA 0.335 53.246 53.050 -0.231 0.000 0.896 287 N CB 1.915 40.117 38.487 -0.475 0.000 1.064 287 N HN 0.046 nan 8.380 nan 0.000 0.518 288 G N 1.825 110.650 108.800 0.042 0.000 2.246 288 G HA2 -0.261 3.699 3.960 0.001 0.000 0.273 288 G HA3 -0.261 3.699 3.960 0.001 0.000 0.273 288 G C -0.244 174.714 174.900 0.095 0.000 1.055 288 G CA 0.073 45.265 45.100 0.152 0.000 0.851 288 G HN 0.234 nan 8.290 nan 0.000 0.500 289 L N -0.165 121.160 121.223 0.170 0.000 2.309 289 L HA 0.555 4.896 4.340 0.001 0.000 0.282 289 L C 1.158 178.102 176.870 0.123 0.000 1.036 289 L CA -1.103 53.798 54.840 0.102 0.000 0.806 289 L CB 1.281 43.412 42.059 0.119 0.000 1.220 289 L HN 0.091 nan 8.230 nan 0.000 0.429 290 L N 3.682 124.884 121.223 -0.036 0.000 2.439 290 L HA 0.179 4.520 4.340 0.001 0.000 0.269 290 L C -0.405 176.402 176.870 -0.105 0.000 1.179 290 L CA -0.220 54.578 54.840 -0.070 0.000 0.828 290 L CB 0.716 42.661 42.059 -0.190 0.000 1.106 290 L HN 0.371 nan 8.230 nan 0.000 0.467 291 L N 2.897 124.029 121.223 -0.151 0.000 2.345 291 L HA 0.339 4.680 4.340 0.001 0.000 0.274 291 L C -0.528 176.145 176.870 -0.328 0.000 0.999 291 L CA -0.265 54.472 54.840 -0.172 0.000 0.849 291 L CB 0.961 42.971 42.059 -0.082 0.000 1.220 291 L HN 0.449 nan 8.230 nan 0.000 0.422 292 H N 5.359 124.128 119.070 -0.501 0.000 2.620 292 H HA 0.546 5.102 4.556 0.001 0.000 0.313 292 H C -0.809 174.395 175.328 -0.205 0.000 1.075 292 H CA -0.404 55.309 56.048 -0.559 0.000 1.397 292 H CB 0.711 29.862 29.762 -1.018 0.000 1.446 292 H HN 0.485 nan 8.280 nan 0.000 0.493 293 I N 5.862 126.045 120.570 -0.645 0.000 2.339 293 I HA 0.124 4.295 4.170 0.001 0.000 0.290 293 I C 0.071 175.980 176.117 -0.347 0.000 0.994 293 I CA -0.416 60.667 61.300 -0.361 0.000 1.191 293 I CB 0.880 38.673 38.000 -0.345 0.000 1.343 293 I HN 0.722 nan 8.210 nan 0.000 0.458 294 H N 7.479 126.435 119.070 -0.190 0.000 2.458 294 H HA 0.342 4.898 4.556 0.001 0.000 0.330 294 H C 0.295 175.567 175.328 -0.094 0.000 1.111 294 H CA -0.486 55.411 56.048 -0.250 0.000 1.245 294 H CB 1.534 31.200 29.762 -0.159 0.000 1.456 294 H HN 0.594 nan 8.280 nan 0.000 0.488 295 R N 3.114 123.402 120.500 -0.353 0.000 2.568 295 R HA 0.416 4.757 4.340 0.001 0.000 0.288 295 R C 0.107 176.396 176.300 -0.017 0.000 1.077 295 R CA -0.466 55.603 56.100 -0.052 0.000 1.102 295 R CB -0.013 30.210 30.300 -0.128 0.000 1.278 295 R HN 0.362 nan 8.270 nan 0.000 0.560 296 A N 1.565 124.488 122.820 0.171 0.000 2.598 296 A HA 0.037 4.357 4.320 0.001 0.000 0.239 296 A C 0.950 178.529 177.584 -0.009 0.000 1.032 296 A CA 0.915 53.047 52.037 0.158 0.000 0.760 296 A CB -0.180 18.892 19.000 0.120 0.000 0.946 296 A HN 0.858 nan 8.150 nan 0.000 0.512 297 M N 0.349 119.937 119.600 -0.020 0.000 3.007 297 M HA -0.300 4.180 4.480 0.001 0.000 0.210 297 M C 1.038 177.282 176.300 -0.095 0.000 0.585 297 M CA 1.846 57.096 55.300 -0.085 0.000 0.804 297 M CB -2.035 30.495 32.600 -0.116 0.000 2.870 297 M HN 1.269 nan 8.290 nan 0.000 0.297 298 H N -0.809 118.187 119.070 -0.123 0.000 2.352 298 H HA 0.175 4.732 4.556 0.001 0.000 0.299 298 H C 1.744 177.032 175.328 -0.066 0.000 1.097 298 H CA 2.066 58.067 56.048 -0.077 0.000 1.311 298 H CB -0.539 29.204 29.762 -0.031 0.000 1.377 298 H HN 0.492 nan 8.280 nan 0.000 0.504 299 A N 1.163 123.442 122.820 -0.902 0.000 2.121 299 A HA -0.022 4.298 4.320 0.001 0.000 0.218 299 A C 2.528 179.954 177.584 -0.263 0.000 1.154 299 A CA 1.092 52.762 52.037 -0.613 0.000 0.679 299 A CB -0.759 17.874 19.000 -0.610 0.000 0.795 299 A HN 0.366 nan 8.150 nan 0.000 0.458 300 V N -0.140 119.656 119.914 -0.196 0.000 2.392 300 V HA -0.272 3.848 4.120 0.001 0.000 0.249 300 V C 2.253 178.312 176.094 -0.059 0.000 1.059 300 V CA 2.251 64.490 62.300 -0.103 0.000 1.051 300 V CB -0.531 31.241 31.823 -0.085 0.000 0.658 300 V HN 0.623 nan 8.190 nan 0.000 0.455 301 I N 0.494 121.028 120.570 -0.059 0.000 2.731 301 I HA -0.026 4.144 4.170 0.001 0.000 0.260 301 I C 1.755 177.873 176.117 0.002 0.000 1.138 301 I CA 1.173 62.463 61.300 -0.017 0.000 1.461 301 I CB -0.104 37.895 38.000 -0.002 0.000 1.128 301 I HN 0.467 nan 8.210 nan 0.000 0.438 302 D N -0.459 119.927 120.400 -0.022 0.000 2.433 302 D HA -0.037 4.604 4.640 0.001 0.000 0.211 302 D C 1.862 178.145 176.300 -0.030 0.000 1.114 302 D CA -0.017 53.981 54.000 -0.004 0.000 0.837 302 D CB 0.023 40.859 40.800 0.060 0.000 0.984 302 D HN -0.067 nan 8.370 nan 0.000 0.505 303 R N 0.279 120.752 120.500 -0.046 0.000 2.062 303 R HA 0.053 4.393 4.340 0.001 0.000 0.229 303 R C 0.435 176.750 176.300 0.025 0.000 1.128 303 R CA 1.125 57.204 56.100 -0.035 0.000 0.960 303 R CB -0.203 30.055 30.300 -0.070 0.000 0.855 303 R HN 0.035 nan 8.270 nan 0.000 0.432 304 Q N 0.626 120.455 119.800 0.049 0.000 2.288 304 Q HA 0.066 4.406 4.340 0.001 0.000 0.254 304 Q C 0.374 176.442 176.000 0.113 0.000 0.932 304 Q CA 0.107 55.957 55.803 0.079 0.000 0.902 304 Q CB 1.325 30.117 28.738 0.090 0.000 1.203 304 Q HN 0.253 nan 8.270 nan 0.000 0.415 305 R N 2.508 123.074 120.500 0.111 0.000 2.115 305 R HA -0.148 4.193 4.340 0.001 0.000 0.230 305 R C 1.289 177.663 176.300 0.124 0.000 1.111 305 R CA 1.711 57.886 56.100 0.124 0.000 0.976 305 R CB 0.278 30.640 30.300 0.102 0.000 0.870 305 R HN 0.660 nan 8.270 nan 0.000 0.445 306 N N -1.114 117.663 118.700 0.128 0.000 2.415 306 N HA -0.108 4.632 4.740 0.001 0.000 0.176 306 N C -0.286 175.349 175.510 0.208 0.000 1.042 306 N CA 0.742 53.875 53.050 0.139 0.000 0.902 306 N CB 0.069 38.627 38.487 0.118 0.000 0.986 306 N HN 0.288 nan 8.380 nan 0.000 0.447 307 H N -1.416 117.725 119.070 0.118 0.000 3.029 307 H HA 0.570 5.127 4.556 0.001 0.000 0.358 307 H C 0.085 175.518 175.328 0.174 0.000 1.129 307 H CA 0.353 56.502 56.048 0.169 0.000 1.230 307 H CB 1.487 31.336 29.762 0.145 0.000 1.827 307 H HN 0.337 nan 8.280 nan 0.000 0.530 308 G N 2.544 111.274 108.800 -0.116 0.000 2.250 308 G HA2 -0.010 3.950 3.960 0.001 0.000 0.196 308 G HA3 -0.010 3.950 3.960 0.001 0.000 0.196 308 G C -1.550 173.346 174.900 -0.007 0.000 1.308 308 G CA -0.301 44.773 45.100 -0.042 0.000 1.207 308 G HN 0.654 nan 8.290 nan 0.000 0.505 309 I N 0.918 121.486 120.570 -0.004 0.000 2.534 309 I HA 0.318 4.489 4.170 0.001 0.000 0.288 309 I C 0.076 176.244 176.117 0.085 0.000 1.077 309 I CA -0.846 60.465 61.300 0.019 0.000 1.051 309 I CB 2.029 40.006 38.000 -0.038 0.000 1.234 309 I HN 0.674 nan 8.210 nan 0.000 0.425 310 H N 4.849 123.940 119.070 0.035 0.000 2.897 310 H HA -0.002 4.554 4.556 0.001 0.000 0.347 310 H C 0.491 175.888 175.328 0.115 0.000 1.068 310 H CA 0.696 56.802 56.048 0.096 0.000 1.426 310 H CB 1.061 30.875 29.762 0.086 0.000 1.410 310 H HN 0.650 nan 8.280 nan 0.000 0.597 311 F N 5.314 125.052 119.950 -0.352 0.000 2.192 311 F HA -0.240 4.287 4.527 0.001 0.000 0.301 311 F C 2.632 178.339 175.800 -0.155 0.000 1.079 311 F CA 1.833 59.686 58.000 -0.244 0.000 1.303 311 F CB -0.130 38.606 39.000 -0.439 0.000 1.024 311 F HN 0.684 nan 8.300 nan 0.000 0.494 312 R N -0.296 120.239 120.500 0.058 0.000 2.127 312 R HA -0.128 4.213 4.340 0.001 0.000 0.238 312 R C 1.755 178.024 176.300 -0.052 0.000 1.134 312 R CA 1.971 58.087 56.100 0.026 0.000 0.975 312 R CB -1.355 29.183 30.300 0.396 0.000 0.865 312 R HN 0.298 nan 8.270 nan 0.000 0.447 313 V N 1.840 121.756 119.914 0.003 0.000 2.379 313 V HA -0.145 3.976 4.120 0.001 0.000 0.245 313 V C 2.443 178.567 176.094 0.050 0.000 1.044 313 V CA 1.432 63.741 62.300 0.014 0.000 1.036 313 V CB -0.376 31.438 31.823 -0.015 0.000 0.664 313 V HN 0.272 nan 8.190 nan 0.000 0.453 314 L N 0.315 121.526 121.223 -0.021 0.000 2.191 314 L HA -0.114 4.226 4.340 0.001 0.000 0.212 314 L C 2.648 179.418 176.870 -0.166 0.000 1.103 314 L CA 1.400 56.279 54.840 0.066 0.000 0.769 314 L CB -0.802 41.322 42.059 0.108 0.000 0.908 314 L HN 0.353 nan 8.230 nan 0.000 0.438 315 A N 0.125 122.566 122.820 -0.631 0.000 1.897 315 A HA -0.136 4.185 4.320 0.001 0.000 0.215 315 A C 2.365 179.825 177.584 -0.207 0.000 1.181 315 A CA 1.133 52.826 52.037 -0.573 0.000 0.620 315 A CB -0.204 18.325 19.000 -0.785 0.000 0.821 315 A HN 0.260 nan 8.150 nan 0.000 0.443 316 K N -0.120 120.255 120.400 -0.041 0.000 2.057 316 K HA -0.080 4.241 4.320 0.001 0.000 0.207 316 K C 2.337 178.985 176.600 0.079 0.000 1.049 316 K CA 1.115 57.508 56.287 0.177 0.000 0.931 316 K CB -0.348 32.299 32.500 0.245 0.000 0.714 316 K HN 0.422 nan 8.250 nan 0.000 0.440 317 A N 2.111 124.961 122.820 0.051 0.000 1.883 317 A HA -0.186 4.134 4.320 0.001 0.000 0.217 317 A C 2.080 179.621 177.584 -0.073 0.000 1.186 317 A CA 1.228 53.237 52.037 -0.047 0.000 0.624 317 A CB -0.675 18.320 19.000 -0.008 0.000 0.822 317 A HN 0.265 nan 8.150 nan 0.000 0.444 318 L N -0.317 120.904 121.223 -0.002 0.000 2.046 318 L HA -0.170 4.170 4.340 0.001 0.000 0.208 318 L C 2.515 179.244 176.870 -0.235 0.000 1.077 318 L CA 2.504 57.227 54.840 -0.195 0.000 0.747 318 L CB -0.913 40.769 42.059 -0.629 0.000 0.896 318 L HN 0.573 nan 8.230 nan 0.000 0.432 319 R N -0.424 119.917 120.500 -0.264 0.000 2.103 319 R HA -0.220 4.120 4.340 0.001 0.000 0.242 319 R C 2.353 178.480 176.300 -0.288 0.000 1.142 319 R CA 2.171 58.062 56.100 -0.349 0.000 0.960 319 R CB -0.193 29.739 30.300 -0.614 0.000 0.858 319 R HN 0.373 nan 8.270 nan 0.000 0.439 320 M N -0.767 118.672 119.600 -0.268 0.000 2.099 320 M HA -0.141 4.340 4.480 0.001 0.000 0.262 320 M C 2.539 178.721 176.300 -0.196 0.000 1.067 320 M CA 1.879 56.931 55.300 -0.415 0.000 1.124 320 M CB -0.255 31.808 32.600 -0.896 0.000 1.353 320 M HN 0.173 nan 8.290 nan 0.000 0.410 321 S N -0.385 115.245 115.700 -0.116 0.000 2.368 321 S HA 0.099 4.570 4.470 0.001 0.000 0.224 321 S C 0.839 175.456 174.600 0.029 0.000 1.029 321 S CA 1.212 59.441 58.200 0.048 0.000 0.988 321 S CB -0.303 63.003 63.200 0.176 0.000 0.838 321 S HN 0.659 nan 8.310 nan 0.000 0.462 322 G N -1.509 107.259 108.800 -0.054 0.000 3.088 322 G HA2 0.422 4.382 3.960 0.001 0.000 0.620 322 G HA3 0.422 4.382 3.960 0.001 0.000 0.620 322 G C -0.353 174.475 174.900 -0.120 0.000 1.375 322 G CA -0.448 44.604 45.100 -0.081 0.000 1.016 322 G HN 1.001 nan 8.290 nan 0.000 0.590 323 G N 0.640 109.348 108.800 -0.155 0.000 2.716 323 G HA2 0.585 4.546 3.960 0.001 0.000 0.299 323 G HA3 0.585 4.546 3.960 0.001 0.000 0.299 323 G C -0.121 174.689 174.900 -0.150 0.000 1.450 323 G CA 0.127 45.123 45.100 -0.174 0.000 0.968 323 G HN 0.337 nan 8.290 nan 0.000 0.566 324 D N -0.124 120.190 120.400 -0.143 0.000 2.213 324 D HA 0.067 4.708 4.640 0.001 0.000 0.205 324 D C 0.388 176.722 176.300 0.057 0.000 0.961 324 D CA 1.114 55.069 54.000 -0.076 0.000 0.853 324 D CB 0.302 41.040 40.800 -0.103 0.000 0.967 324 D HN 0.590 nan 8.370 nan 0.000 0.496 325 H N -0.816 118.129 119.070 -0.208 0.000 2.690 325 H HA 0.546 5.103 4.556 0.001 0.000 0.368 325 H C -1.096 174.045 175.328 -0.312 0.000 1.150 325 H CA -1.063 54.844 56.048 -0.235 0.000 1.174 325 H CB 2.680 32.294 29.762 -0.247 0.000 1.684 325 H HN -0.126 nan 8.280 nan 0.000 0.538 326 L N 1.963 123.128 121.223 -0.095 0.000 2.455 326 L HA 0.236 4.576 4.340 0.001 0.000 0.264 326 L C -0.817 176.050 176.870 -0.004 0.000 0.968 326 L CA -0.403 54.375 54.840 -0.103 0.000 0.827 326 L CB 1.631 43.622 42.059 -0.114 0.000 1.317 326 L HN 0.714 nan 8.230 nan 0.000 0.407 327 H N 2.626 121.589 119.070 -0.179 0.000 2.964 327 H HA 0.169 4.725 4.556 0.001 0.000 0.328 327 H C 0.271 175.520 175.328 -0.132 0.000 1.030 327 H CA 0.731 56.670 56.048 -0.183 0.000 1.445 327 H CB 0.994 30.567 29.762 -0.315 0.000 1.449 327 H HN 0.786 nan 8.280 nan 0.000 0.581 328 S N 1.795 117.518 115.700 0.038 0.000 2.559 328 S HA 0.314 4.784 4.470 0.001 0.000 0.226 328 S C 0.989 175.742 174.600 0.255 0.000 1.030 328 S CA 0.100 58.469 58.200 0.282 0.000 0.956 328 S CB 1.232 64.701 63.200 0.448 0.000 0.900 328 S HN 1.075 nan 8.310 nan 0.000 0.510 329 G N 0.985 109.818 108.800 0.056 0.000 2.661 329 G HA2 0.006 3.967 3.960 0.001 0.000 0.685 329 G HA3 0.006 3.967 3.960 0.001 0.000 0.685 329 G C 0.209 175.186 174.900 0.128 0.000 1.298 329 G CA 0.216 45.358 45.100 0.070 0.000 0.855 329 G HN 0.967 nan 8.290 nan 0.000 0.560 330 T N -3.126 111.468 114.554 0.066 0.000 2.954 330 T HA 0.647 4.997 4.350 0.001 0.000 0.252 330 T C 2.090 176.824 174.700 0.057 0.000 0.983 330 T CA 1.918 64.058 62.100 0.066 0.000 0.941 330 T CB 0.374 69.177 68.868 -0.108 0.000 1.141 330 T HN 2.778 nan 8.240 nan 0.000 0.500 331 A N 1.156 123.990 122.820 0.022 0.000 2.070 331 A HA -0.279 4.042 4.320 0.001 0.000 0.231 331 A C 1.804 179.378 177.584 -0.017 0.000 0.501 331 A CA 2.508 54.545 52.037 0.001 0.000 1.119 331 A CB -2.330 16.661 19.000 -0.015 0.000 1.430 331 A HN 1.507 nan 8.150 nan 0.000 0.706 332 V N -1.986 117.875 119.914 -0.088 0.000 3.660 332 V HA 0.618 4.738 4.120 0.001 0.000 0.276 332 V C 1.404 177.372 176.094 -0.210 0.000 1.317 332 V CA 1.054 63.262 62.300 -0.153 0.000 1.097 332 V CB -0.620 31.036 31.823 -0.279 0.000 0.863 332 V HN 1.632 nan 8.190 nan 0.000 0.438 333 G N 1.387 110.045 108.800 -0.236 0.000 2.509 333 G HA2 0.277 4.238 3.960 0.001 0.000 0.269 333 G HA3 0.277 4.238 3.960 0.001 0.000 0.269 333 G C 0.731 175.352 174.900 -0.465 0.000 1.416 333 G CA 0.059 44.962 45.100 -0.329 0.000 1.052 333 G HN 0.500 nan 8.290 nan 0.000 0.542 334 K N -1.274 118.642 120.400 -0.807 0.000 2.366 334 K HA 0.165 4.485 4.320 0.001 0.000 0.198 334 K C 0.197 176.601 176.600 -0.326 0.000 1.044 334 K CA 0.320 56.089 56.287 -0.863 0.000 0.973 334 K CB -0.190 31.773 32.500 -0.897 0.000 0.767 334 K HN 0.189 nan 8.250 nan 0.000 0.475 335 L N 1.733 122.820 121.223 -0.227 0.000 2.331 335 L HA 0.321 4.661 4.340 0.001 0.000 0.275 335 L C -0.155 176.676 176.870 -0.064 0.000 1.022 335 L CA -0.948 53.817 54.840 -0.126 0.000 0.812 335 L CB 1.838 43.839 42.059 -0.097 0.000 1.257 335 L HN 0.086 nan 8.230 nan 0.000 0.435 336 E N 0.915 121.092 120.200 -0.038 0.000 2.338 336 E HA 0.543 4.893 4.350 0.001 0.000 0.272 336 E C -0.435 176.188 176.600 0.039 0.000 1.029 336 E CA -0.193 56.212 56.400 0.008 0.000 0.872 336 E CB 0.926 30.628 29.700 0.004 0.000 1.015 336 E HN 0.752 nan 8.360 nan 0.000 0.417 337 G N 3.841 112.680 108.800 0.064 0.000 1.959 337 G HA2 0.005 3.966 3.960 0.001 0.000 0.289 337 G HA3 0.005 3.966 3.960 0.001 0.000 0.289 337 G C -1.096 173.848 174.900 0.073 0.000 1.705 337 G CA -0.806 44.356 45.100 0.104 0.000 0.913 337 G HN 0.508 nan 8.290 nan 0.000 0.686 338 E N 1.275 121.520 120.200 0.074 0.000 2.383 338 E HA 0.153 4.503 4.350 0.001 0.000 0.264 338 E C 1.367 177.955 176.600 -0.020 0.000 1.050 338 E CA -0.603 55.818 56.400 0.035 0.000 0.896 338 E CB 1.820 31.547 29.700 0.046 0.000 0.982 338 E HN 0.570 nan 8.360 nan 0.000 0.424 339 R N 1.986 122.459 120.500 -0.045 0.000 2.096 339 R HA -0.213 4.128 4.340 0.001 0.000 0.240 339 R C 1.520 177.735 176.300 -0.141 0.000 1.139 339 R CA 1.612 57.648 56.100 -0.106 0.000 0.952 339 R CB 0.141 30.390 30.300 -0.086 0.000 0.854 339 R HN 0.497 nan 8.270 nan 0.000 0.436 340 E N -0.080 120.064 120.200 -0.093 0.000 2.072 340 E HA -0.119 4.231 4.350 0.001 0.000 0.191 340 E C 2.109 178.639 176.600 -0.117 0.000 0.985 340 E CA 1.138 57.481 56.400 -0.094 0.000 0.801 340 E CB -0.154 29.514 29.700 -0.053 0.000 0.750 340 E HN 0.224 nan 8.360 nan 0.000 0.452 341 V N 1.611 121.476 119.914 -0.082 0.000 2.295 341 V HA -0.234 3.886 4.120 0.001 0.000 0.246 341 V C 2.448 178.301 176.094 -0.402 0.000 1.049 341 V CA 1.418 63.682 62.300 -0.060 0.000 1.024 341 V CB -0.461 31.445 31.823 0.138 0.000 0.648 341 V HN 0.176 nan 8.190 nan 0.000 0.447 342 I N -0.436 119.827 120.570 -0.512 0.000 2.226 342 I HA -0.252 3.919 4.170 0.001 0.000 0.245 342 I C 2.305 177.969 176.117 -0.755 0.000 1.100 342 I CA 1.539 62.264 61.300 -0.957 0.000 1.374 342 I CB -0.300 37.477 38.000 -0.372 0.000 1.057 342 I HN 0.249 nan 8.210 nan 0.000 0.413 343 L N 0.245 121.211 121.223 -0.428 0.000 2.131 343 L HA -0.146 4.194 4.340 0.001 0.000 0.210 343 L C 2.644 179.396 176.870 -0.198 0.000 1.092 343 L CA 1.426 56.093 54.840 -0.287 0.000 0.759 343 L CB -1.140 40.791 42.059 -0.213 0.000 0.903 343 L HN 0.336 nan 8.230 nan 0.000 0.435 344 G N 1.053 109.733 108.800 -0.201 0.000 2.433 344 G HA2 -0.314 3.647 3.960 0.001 0.000 0.216 344 G HA3 -0.314 3.647 3.960 0.001 0.000 0.216 344 G C 1.284 176.213 174.900 0.049 0.000 1.186 344 G CA 1.019 46.082 45.100 -0.061 0.000 0.779 344 G HN 0.483 nan 8.290 nan 0.000 0.543 345 F N 0.509 120.540 119.950 0.135 0.000 2.558 345 F HA 0.297 4.824 4.527 0.001 0.000 0.298 345 F C 2.117 177.996 175.800 0.133 0.000 1.119 345 F CA -0.232 57.859 58.000 0.152 0.000 1.451 345 F CB -0.819 38.301 39.000 0.200 0.000 1.091 345 F HN -0.012 nan 8.300 nan 0.000 0.563 346 V N 1.326 121.356 119.914 0.194 0.000 2.343 346 V HA -0.250 3.870 4.120 0.001 0.000 0.247 346 V C 2.077 178.252 176.094 0.135 0.000 1.051 346 V CA 2.300 64.716 62.300 0.194 0.000 1.036 346 V CB -0.663 31.221 31.823 0.101 0.000 0.654 346 V HN 0.224 nan 8.190 nan 0.000 0.451 347 D N 0.082 120.541 120.400 0.098 0.000 2.117 347 D HA -0.121 4.519 4.640 0.001 0.000 0.197 347 D C 2.110 178.505 176.300 0.158 0.000 0.987 347 D CA 1.153 55.216 54.000 0.105 0.000 0.829 347 D CB -0.280 40.571 40.800 0.085 0.000 0.961 347 D HN 0.331 nan 8.370 nan 0.000 0.460 348 L N -0.215 121.136 121.223 0.214 0.000 2.131 348 L HA -0.128 4.213 4.340 0.001 0.000 0.210 348 L C 2.417 179.386 176.870 0.165 0.000 1.092 348 L CA 0.860 55.889 54.840 0.315 0.000 0.759 348 L CB -0.268 41.996 42.059 0.342 0.000 0.903 348 L HN 0.049 nan 8.230 nan 0.000 0.435 349 M N -1.429 118.215 119.600 0.074 0.000 2.236 349 M HA -0.082 4.398 4.480 0.001 0.000 0.266 349 M C 2.249 178.455 176.300 -0.158 0.000 1.070 349 M CA 1.496 56.742 55.300 -0.091 0.000 1.137 349 M CB -0.091 32.520 32.600 0.019 0.000 1.378 349 M HN 0.087 nan 8.290 nan 0.000 0.426 350 R N -0.394 120.080 120.500 -0.044 0.000 2.146 350 R HA 0.103 4.443 4.340 0.001 0.000 0.206 350 R C -0.064 176.218 176.300 -0.029 0.000 1.049 350 R CA 0.334 56.414 56.100 -0.034 0.000 1.029 350 R CB 0.190 30.510 30.300 0.033 0.000 0.949 350 R HN 0.244 nan 8.270 nan 0.000 0.471 351 D N 0.209 120.627 120.400 0.029 0.000 2.312 351 D HA 0.010 4.650 4.640 0.001 0.000 0.248 351 D C 0.262 176.668 176.300 0.176 0.000 1.086 351 D CA -0.100 53.964 54.000 0.106 0.000 0.948 351 D CB 1.293 42.184 40.800 0.151 0.000 1.162 351 D HN -0.115 nan 8.370 nan 0.000 0.446 352 D N -0.800 119.731 120.400 0.218 0.000 2.194 352 D HA -0.090 4.550 4.640 0.001 0.000 0.204 352 D C -0.626 175.934 176.300 0.434 0.000 0.964 352 D CA 0.727 54.909 54.000 0.304 0.000 0.846 352 D CB 0.253 41.183 40.800 0.217 0.000 0.962 352 D HN 0.326 nan 8.370 nan 0.000 0.490 353 Y N -0.329 120.093 120.300 0.203 0.000 2.362 353 Y HA 0.433 4.984 4.550 0.001 0.000 0.326 353 Y C -1.700 174.277 175.900 0.128 0.000 1.083 353 Y CA -0.960 57.224 58.100 0.141 0.000 1.073 353 Y CB 1.591 40.103 38.460 0.086 0.000 1.211 353 Y HN -0.332 nan 8.280 nan 0.000 0.433 354 V N 5.870 125.692 119.914 -0.153 0.000 2.443 354 V HA 0.325 4.445 4.120 0.001 0.000 0.293 354 V C -0.478 175.502 176.094 -0.190 0.000 1.021 354 V CA -1.035 61.234 62.300 -0.052 0.000 0.848 354 V CB 1.453 33.311 31.823 0.059 0.000 0.998 354 V HN 0.679 nan 8.190 nan 0.000 0.424 355 E N 2.982 123.150 120.200 -0.053 0.000 2.373 355 E HA 0.114 4.464 4.350 0.001 0.000 0.267 355 E C 0.123 176.713 176.600 -0.017 0.000 1.032 355 E CA -0.411 55.975 56.400 -0.024 0.000 0.889 355 E CB 1.163 30.908 29.700 0.074 0.000 0.984 355 E HN 0.574 nan 8.360 nan 0.000 0.425 356 K N 2.341 122.732 120.400 -0.015 0.000 2.530 356 K HA -0.159 4.162 4.320 0.001 0.000 0.280 356 K C -0.602 175.978 176.600 -0.033 0.000 1.004 356 K CA 0.728 57.005 56.287 -0.017 0.000 1.071 356 K CB 0.271 32.763 32.500 -0.013 0.000 0.876 356 K HN 0.333 nan 8.250 nan 0.000 0.487 357 D N 4.048 124.414 120.400 -0.057 0.000 2.445 357 D HA 0.150 4.791 4.640 0.001 0.000 0.236 357 D C 0.266 176.496 176.300 -0.116 0.000 1.315 357 D CA -0.492 53.468 54.000 -0.067 0.000 0.924 357 D CB 0.549 41.328 40.800 -0.035 0.000 1.447 357 D HN 0.486 nan 8.370 nan 0.000 0.532 358 R N 0.722 121.117 120.500 -0.176 0.000 2.193 358 R HA -0.065 4.275 4.340 0.001 0.000 0.229 358 R C 1.772 177.958 176.300 -0.191 0.000 1.110 358 R CA 1.121 57.054 56.100 -0.278 0.000 0.988 358 R CB -0.503 29.607 30.300 -0.317 0.000 0.871 358 R HN 0.495 nan 8.270 nan 0.000 0.458 359 S N 0.031 115.660 115.700 -0.118 0.000 2.515 359 S HA -0.027 4.444 4.470 0.001 0.000 0.231 359 S C 1.474 176.035 174.600 -0.066 0.000 0.987 359 S CA 0.531 58.682 58.200 -0.080 0.000 0.936 359 S CB 0.053 63.218 63.200 -0.059 0.000 0.766 359 S HN 0.263 nan 8.310 nan 0.000 0.528 360 R N -0.031 120.428 120.500 -0.069 0.000 2.543 360 R HA 0.326 4.666 4.340 0.001 0.000 0.323 360 R C 1.132 177.413 176.300 -0.032 0.000 1.002 360 R CA 0.296 56.367 56.100 -0.049 0.000 1.106 360 R CB 0.493 30.766 30.300 -0.046 0.000 1.280 360 R HN 0.490 nan 8.270 nan 0.000 0.549 361 G N 1.759 110.519 108.800 -0.067 0.000 2.148 361 G HA2 -0.274 3.687 3.960 0.001 0.000 0.254 361 G HA3 -0.274 3.687 3.960 0.001 0.000 0.254 361 G C 0.146 175.091 174.900 0.075 0.000 0.981 361 G CA -0.121 44.964 45.100 -0.026 0.000 0.670 361 G HN 0.281 nan 8.290 nan 0.000 0.528 362 I N 0.956 121.526 120.570 -0.000 0.000 2.294 362 I HA 0.290 4.461 4.170 0.001 0.000 0.295 362 I C 1.311 177.417 176.117 -0.018 0.000 1.098 362 I CA -0.837 60.500 61.300 0.063 0.000 1.277 362 I CB 0.314 38.338 38.000 0.041 0.000 1.434 362 I HN 0.067 nan 8.210 nan 0.000 0.498 363 Y N 5.189 125.379 120.300 -0.184 0.000 2.475 363 Y HA 0.141 4.691 4.550 0.001 0.000 0.289 363 Y C 0.297 175.865 175.900 -0.552 0.000 1.121 363 Y CA 0.512 58.366 58.100 -0.410 0.000 1.257 363 Y CB -0.043 38.035 38.460 -0.637 0.000 1.026 363 Y HN 0.302 nan 8.280 nan 0.000 0.555 364 F N -1.663 118.385 119.950 0.164 0.000 2.565 364 F HA 0.366 4.893 4.527 0.001 0.000 0.313 364 F C 0.244 176.024 175.800 -0.033 0.000 1.091 364 F CA -1.779 56.262 58.000 0.068 0.000 0.915 364 F CB 1.017 40.049 39.000 0.053 0.000 1.208 364 F HN -0.495 nan 8.300 nan 0.000 0.453 365 T N 2.011 116.637 114.554 0.120 0.000 2.853 365 T HA 0.161 4.512 4.350 0.001 0.000 0.298 365 T C -0.324 174.260 174.700 -0.192 0.000 0.978 365 T CA 0.135 62.181 62.100 -0.091 0.000 1.152 365 T CB 0.326 69.124 68.868 -0.117 0.000 0.914 365 T HN 0.415 nan 8.240 nan 0.000 0.539 366 Q N 2.974 122.574 119.800 -0.334 0.000 2.341 366 Q HA 0.304 4.644 4.340 0.001 0.000 0.268 366 Q C -1.297 174.356 176.000 -0.578 0.000 1.013 366 Q CA -0.647 54.891 55.803 -0.442 0.000 0.798 366 Q CB 1.095 29.599 28.738 -0.389 0.000 1.253 366 Q HN 0.477 nan 8.270 nan 0.000 0.457 367 D N 3.963 124.075 120.400 -0.480 0.000 2.373 367 D HA 0.240 4.881 4.640 0.001 0.000 0.227 367 D C -1.041 175.125 176.300 -0.223 0.000 1.091 367 D CA -0.210 53.678 54.000 -0.187 0.000 0.840 367 D CB 0.374 41.209 40.800 0.058 0.000 1.060 367 D HN 0.463 nan 8.370 nan 0.000 0.502 371 M N 4.001 123.678 119.600 0.128 0.000 2.260 371 M HA 0.169 4.650 4.480 0.001 0.000 0.348 371 M C -2.549 173.730 176.300 -0.035 0.000 1.342 371 M CA -0.770 54.564 55.300 0.056 0.000 1.040 371 M CB 0.278 32.937 32.600 0.099 0.000 1.810 371 M HN -0.131 nan 8.290 nan 0.000 0.453 372 P HA 0.115 nan 4.420 nan 0.000 0.268 372 P C -0.442 176.765 177.300 -0.155 0.000 1.208 372 P CA -0.127 62.930 63.100 -0.071 0.000 0.777 372 P CB 0.308 31.978 31.700 -0.050 0.000 0.875 373 G N 0.490 109.219 108.800 -0.119 0.000 2.507 373 G HA2 0.460 4.420 3.960 0.001 0.000 0.271 373 G HA3 0.460 4.420 3.960 0.001 0.000 0.271 373 G C -0.889 173.938 174.900 -0.121 0.000 1.189 373 G CA -0.420 44.586 45.100 -0.157 0.000 0.859 373 G HN 0.354 nan 8.290 nan 0.000 0.542 374 V N 2.254 122.082 119.914 -0.144 0.000 2.435 374 V HA 0.300 4.420 4.120 0.001 0.000 0.290 374 V C 0.316 176.386 176.094 -0.040 0.000 1.030 374 V CA -0.775 61.465 62.300 -0.099 0.000 0.881 374 V CB 1.525 33.253 31.823 -0.159 0.000 0.983 374 V HN 0.805 nan 8.190 nan 0.000 0.445 375 M N 9.608 129.208 119.600 -0.001 0.000 2.307 375 M HA 0.296 4.776 4.480 0.001 0.000 0.346 375 M C -2.300 173.952 176.300 -0.080 0.000 1.552 375 M CA -1.384 53.894 55.300 -0.037 0.000 1.116 375 M CB 0.510 33.064 32.600 -0.076 0.000 1.889 375 M HN 0.358 nan 8.290 nan 0.000 0.460 376 P HA 0.107 nan 4.420 nan 0.000 0.271 376 P C -1.236 175.922 177.300 -0.237 0.000 1.216 376 P CA -0.221 62.854 63.100 -0.042 0.000 0.776 376 P CB 0.656 32.435 31.700 0.132 0.000 0.881 377 V N 2.771 122.517 119.914 -0.280 0.000 2.376 377 V HA 0.491 4.611 4.120 0.001 0.000 0.287 377 V C 0.373 176.163 176.094 -0.507 0.000 1.015 377 V CA -0.801 61.233 62.300 -0.443 0.000 0.834 377 V CB 1.255 32.783 31.823 -0.492 0.000 1.001 377 V HN 0.692 nan 8.190 nan 0.000 0.428 378 A N 3.894 126.351 122.820 -0.605 0.000 2.260 378 A HA 0.837 5.157 4.320 0.001 0.000 0.308 378 A C 0.047 177.362 177.584 -0.448 0.000 1.254 378 A CA -0.230 51.493 52.037 -0.522 0.000 0.874 378 A CB 1.038 19.613 19.000 -0.708 0.000 1.153 378 A HN 0.886 nan 8.150 nan 0.000 0.527 379 S N 1.662 117.164 115.700 -0.329 0.000 2.535 379 S HA 0.722 5.192 4.470 0.001 0.000 0.272 379 S C -0.541 173.950 174.600 -0.182 0.000 1.149 379 S CA 0.442 58.477 58.200 -0.274 0.000 0.888 379 S CB 1.198 64.287 63.200 -0.185 0.000 1.110 379 S HN 2.631 nan 8.310 nan 0.000 0.463 380 G N 1.731 110.410 108.800 -0.202 0.000 3.152 380 G HA2 0.453 4.413 3.960 0.001 0.000 0.666 380 G HA3 0.453 4.413 3.960 0.001 0.000 0.666 380 G C 0.860 175.604 174.900 -0.260 0.000 1.205 380 G CA 0.373 45.370 45.100 -0.172 0.000 1.178 380 G HN 2.209 nan 8.290 nan 0.000 0.510 381 G N 0.190 108.853 108.800 -0.228 0.000 2.147 381 G HA2 -0.001 3.959 3.960 0.001 0.000 0.244 381 G HA3 -0.001 3.959 3.960 0.001 0.000 0.244 381 G C 0.574 175.448 174.900 -0.043 0.000 1.005 381 G CA 0.831 45.770 45.100 -0.268 0.000 0.713 381 G HN 2.284 nan 8.290 nan 0.000 0.515 382 I N -1.816 118.716 120.570 -0.063 0.000 2.607 382 I HA 0.964 5.134 4.170 0.001 0.000 0.305 382 I C 0.183 176.470 176.117 0.285 0.000 0.995 382 I CA -1.358 59.998 61.300 0.093 0.000 1.148 382 I CB 1.638 39.529 38.000 -0.182 0.000 1.323 382 I HN 0.333 nan 8.210 nan 0.000 0.461 383 H N 1.413 120.777 119.070 0.490 0.000 2.942 383 H HA 0.453 5.009 4.556 0.001 0.000 0.316 383 H C 0.649 176.057 175.328 0.133 0.000 1.323 383 H CA -0.455 55.665 56.048 0.120 0.000 1.144 383 H CB 0.521 30.062 29.762 -0.368 0.000 1.866 383 H HN 0.366 nan 8.280 nan 0.000 0.545 384 V N -2.735 117.272 119.914 0.155 0.000 2.317 384 V HA -0.288 3.832 4.120 0.001 0.000 0.251 384 V C 1.429 177.505 176.094 -0.030 0.000 1.065 384 V CA 2.007 64.264 62.300 -0.072 0.000 1.049 384 V CB -1.303 30.384 31.823 -0.227 0.000 0.651 384 V HN 0.800 nan 8.190 nan 0.000 0.450 385 W N -0.273 121.141 121.300 0.190 0.000 2.421 385 W HA -0.007 4.653 4.660 0.001 0.000 0.270 385 W C 2.631 179.160 176.519 0.017 0.000 1.233 385 W CA 1.184 58.577 57.345 0.079 0.000 1.226 385 W CB -0.479 29.050 29.460 0.114 0.000 1.121 385 W HN 0.364 nan 8.180 nan 0.000 0.579 386 H N -0.802 118.404 119.070 0.227 0.000 2.547 386 H HA -0.015 4.541 4.556 0.001 0.000 0.272 386 H C 1.884 177.306 175.328 0.156 0.000 0.989 386 H CA 1.060 57.184 56.048 0.126 0.000 1.214 386 H CB -0.481 29.288 29.762 0.011 0.000 1.389 386 H HN 0.184 nan 8.280 nan 0.000 0.577 387 M N 1.438 121.196 119.600 0.264 0.000 2.082 387 M HA -0.073 4.407 4.480 0.001 0.000 0.258 387 M C -0.955 175.448 176.300 0.171 0.000 1.069 387 M CA 1.604 57.028 55.300 0.207 0.000 1.102 387 M CB -0.869 31.788 32.600 0.095 0.000 1.336 387 M HN 0.045 nan 8.290 nan 0.000 0.404 388 P HA -0.099 nan 4.420 nan 0.000 0.215 388 P C 1.129 178.509 177.300 0.133 0.000 1.153 388 P CA 2.259 65.437 63.100 0.131 0.000 0.853 388 P CB -0.347 31.433 31.700 0.133 0.000 0.788 389 A N -0.921 121.991 122.820 0.153 0.000 1.930 389 A HA -0.146 4.174 4.320 0.001 0.000 0.217 389 A C 2.204 179.867 177.584 0.133 0.000 1.175 389 A CA 1.381 53.493 52.037 0.125 0.000 0.627 389 A CB -1.619 17.460 19.000 0.132 0.000 0.815 389 A HN 0.108 nan 8.150 nan 0.000 0.443 390 L N -0.693 120.643 121.223 0.190 0.000 2.027 390 L HA -0.134 4.206 4.340 0.001 0.000 0.206 390 L C 2.494 179.542 176.870 0.296 0.000 1.074 390 L CA 0.998 56.007 54.840 0.280 0.000 0.745 390 L CB -0.570 41.633 42.059 0.240 0.000 0.898 390 L HN 0.222 nan 8.230 nan 0.000 0.433 391 V N -0.316 119.717 119.914 0.198 0.000 2.407 391 V HA -0.277 3.843 4.120 0.001 0.000 0.248 391 V C 2.497 178.665 176.094 0.123 0.000 1.055 391 V CA 1.797 64.193 62.300 0.160 0.000 1.049 391 V CB -0.477 31.418 31.823 0.120 0.000 0.662 391 V HN 0.480 nan 8.190 nan 0.000 0.455 392 E N -0.112 120.144 120.200 0.093 0.000 2.107 392 E HA -0.151 4.200 4.350 0.001 0.000 0.191 392 E C 2.217 178.809 176.600 -0.012 0.000 0.982 392 E CA 1.188 57.614 56.400 0.043 0.000 0.809 392 E CB -0.021 29.702 29.700 0.037 0.000 0.756 392 E HN 0.607 nan 8.360 nan 0.000 0.459 393 I N -0.249 120.290 120.570 -0.052 0.000 2.202 393 I HA -0.232 3.939 4.170 0.001 0.000 0.242 393 I C 1.786 177.677 176.117 -0.377 0.000 1.091 393 I CA 1.111 62.241 61.300 -0.284 0.000 1.368 393 I CB -0.132 37.579 38.000 -0.482 0.000 1.058 393 I HN 0.064 nan 8.210 nan 0.000 0.410 394 F N 0.248 120.199 119.950 0.002 0.000 2.582 394 F HA 0.316 4.844 4.527 0.001 0.000 0.290 394 F C 1.681 177.488 175.800 0.012 0.000 1.115 394 F CA 0.637 58.638 58.000 0.001 0.000 1.445 394 F CB -0.592 38.405 39.000 -0.005 0.000 1.126 394 F HN 0.151 nan 8.300 nan 0.000 0.574 395 G N 0.790 109.690 108.800 0.168 0.000 2.601 395 G HA2 -0.306 3.654 3.960 0.001 0.000 0.252 395 G HA3 -0.306 3.654 3.960 0.001 0.000 0.252 395 G C 0.290 175.269 174.900 0.133 0.000 1.294 395 G CA 0.265 45.437 45.100 0.121 0.000 0.912 395 G HN 0.174 nan 8.290 nan 0.000 0.574 396 D N 0.638 121.098 120.400 0.101 0.000 2.194 396 D HA 0.091 4.731 4.640 0.001 0.000 0.204 396 D C 0.867 177.213 176.300 0.077 0.000 0.964 396 D CA 1.123 55.175 54.000 0.086 0.000 0.846 396 D CB -0.105 40.743 40.800 0.081 0.000 0.962 396 D HN 0.361 nan 8.370 nan 0.000 0.490 397 D N 0.878 121.330 120.400 0.086 0.000 2.619 397 D HA 0.472 5.113 4.640 0.001 0.000 0.224 397 D C -0.363 175.969 176.300 0.053 0.000 1.133 397 D CA 0.122 54.162 54.000 0.067 0.000 1.017 397 D CB 0.196 41.039 40.800 0.072 0.000 1.077 397 D HN 0.015 nan 8.370 nan 0.000 0.503 398 A N 0.326 123.145 122.820 -0.003 0.000 2.608 398 A HA 0.487 4.807 4.320 0.001 0.000 0.292 398 A C -1.116 176.376 177.584 -0.154 0.000 1.066 398 A CA -0.760 51.206 52.037 -0.118 0.000 0.676 398 A CB 1.407 20.290 19.000 -0.195 0.000 1.277 398 A HN 0.391 nan 8.150 nan 0.000 0.413 399 C N 2.081 121.233 119.300 -0.248 0.000 2.319 399 C HA 0.772 5.232 4.460 0.001 0.000 0.335 399 C C -0.610 174.230 174.990 -0.251 0.000 1.274 399 C CA -0.508 58.403 59.018 -0.178 0.000 1.806 399 C CB -1.043 26.590 27.740 -0.179 0.000 2.329 399 C HN 0.639 nan 8.230 nan 0.000 0.524 400 L N 6.456 127.588 121.223 -0.152 0.000 2.313 400 L HA 0.523 4.864 4.340 0.001 0.000 0.283 400 L C -0.202 176.524 176.870 -0.240 0.000 1.013 400 L CA -0.161 54.534 54.840 -0.242 0.000 0.816 400 L CB 1.195 43.220 42.059 -0.057 0.000 1.236 400 L HN 0.636 nan 8.230 nan 0.000 0.419 401 Q N 3.439 122.943 119.800 -0.492 0.000 2.333 401 Q HA 0.549 4.890 4.340 0.001 0.000 0.267 401 Q C -1.535 174.117 176.000 -0.579 0.000 1.012 401 Q CA -0.452 55.147 55.803 -0.341 0.000 0.824 401 Q CB 2.604 31.221 28.738 -0.201 0.000 1.290 401 Q HN 0.427 nan 8.270 nan 0.000 0.449 402 F N 0.872 120.789 119.950 -0.056 0.000 2.532 402 F HA 0.352 4.880 4.527 0.001 0.000 0.365 402 F C 0.863 176.636 175.800 -0.045 0.000 1.112 402 F CA -0.688 57.276 58.000 -0.060 0.000 1.082 402 F CB 1.299 40.265 39.000 -0.058 0.000 1.319 402 F HN 0.751 nan 8.300 nan 0.000 0.457 403 G N 1.508 110.348 108.800 0.067 0.000 2.624 403 G HA2 0.053 4.013 3.960 0.001 0.000 0.216 403 G HA3 0.053 4.013 3.960 0.001 0.000 0.216 403 G C 1.768 176.713 174.900 0.075 0.000 1.274 403 G CA 0.636 45.768 45.100 0.053 0.000 0.856 403 G HN 0.736 nan 8.290 nan 0.000 0.555 404 G N 0.733 109.569 108.800 0.061 0.000 2.442 404 G HA2 0.032 3.993 3.960 0.001 0.000 0.219 404 G HA3 0.032 3.993 3.960 0.001 0.000 0.219 404 G C 1.695 176.639 174.900 0.072 0.000 1.141 404 G CA 1.373 46.527 45.100 0.089 0.000 0.763 404 G HN 0.706 nan 8.290 nan 0.000 0.554 405 G N -0.818 107.954 108.800 -0.047 0.000 2.708 405 G HA2 0.138 4.099 3.960 0.001 0.000 0.210 405 G HA3 0.138 4.099 3.960 0.001 0.000 0.210 405 G C 1.406 176.359 174.900 0.090 0.000 1.141 405 G CA 1.608 46.576 45.100 -0.221 0.000 0.788 405 G HN 0.432 nan 8.290 nan 0.000 0.531 406 T N 0.031 114.690 114.554 0.176 0.000 3.182 406 T HA 0.096 4.446 4.350 0.001 0.000 0.244 406 T C 1.946 176.763 174.700 0.196 0.000 0.981 406 T CA -0.151 62.050 62.100 0.170 0.000 1.182 406 T CB -0.053 68.869 68.868 0.091 0.000 1.043 406 T HN 0.048 nan 8.240 nan 0.000 0.424 407 L N 1.673 122.987 121.223 0.152 0.000 2.551 407 L HA 0.255 4.596 4.340 0.001 0.000 0.228 407 L C 2.252 179.235 176.870 0.188 0.000 1.153 407 L CA 0.893 55.810 54.840 0.129 0.000 0.851 407 L CB -0.295 41.807 42.059 0.071 0.000 0.959 407 L HN 0.382 nan 8.230 nan 0.000 0.451 408 G N -3.044 105.939 108.800 0.306 0.000 3.088 408 G HA2 -0.080 3.880 3.960 0.001 0.000 0.217 408 G HA3 -0.080 3.880 3.960 0.001 0.000 0.217 408 G C 0.562 175.656 174.900 0.324 0.000 1.159 408 G CA -0.302 45.029 45.100 0.386 0.000 0.760 408 G HN 0.280 nan 8.290 nan 0.000 0.550 409 H N 1.983 121.185 119.070 0.221 0.000 2.928 409 H HA 0.056 4.613 4.556 0.001 0.000 0.338 409 H C -1.018 174.243 175.328 -0.112 0.000 1.047 409 H CA -0.933 55.081 56.048 -0.057 0.000 1.435 409 H CB 1.964 31.713 29.762 -0.021 0.000 1.428 409 H HN 0.029 nan 8.280 nan 0.000 0.590 410 P HA -0.137 nan 4.420 nan 0.000 0.221 410 P C 0.661 178.149 177.300 0.314 0.000 1.145 410 P CA 1.114 64.165 63.100 -0.082 0.000 0.795 410 P CB 0.100 31.654 31.700 -0.242 0.000 0.775 411 W N 0.169 121.636 121.300 0.279 0.000 3.220 411 W HA 0.504 5.164 4.660 0.001 0.000 0.328 411 W C 1.121 177.682 176.519 0.070 0.000 1.205 411 W CA 0.358 57.792 57.345 0.149 0.000 1.773 411 W CB -0.700 28.837 29.460 0.129 0.000 1.086 411 W HN 0.063 nan 8.180 nan 0.000 0.622 412 G N 1.112 110.077 108.800 0.274 0.000 2.526 412 G HA2 -0.295 3.666 3.960 0.001 0.000 0.250 412 G HA3 -0.295 3.666 3.960 0.001 0.000 0.250 412 G C 0.671 175.598 174.900 0.046 0.000 1.289 412 G CA -0.080 45.098 45.100 0.130 0.000 0.947 412 G HN -0.010 nan 8.290 nan 0.000 0.517 413 N N 0.067 118.769 118.700 0.004 0.000 2.135 413 N HA 0.088 4.828 4.740 0.001 0.000 0.186 413 N C 2.739 178.193 175.510 -0.094 0.000 1.027 413 N CA 2.550 55.579 53.050 -0.036 0.000 0.849 413 N CB -0.786 37.672 38.487 -0.048 0.000 1.002 413 N HN 1.085 nan 8.380 nan 0.000 0.425 414 A N 1.612 124.366 122.820 -0.110 0.000 1.883 414 A HA -0.063 4.258 4.320 0.001 0.000 0.217 414 A C -0.190 177.309 177.584 -0.141 0.000 1.186 414 A CA 1.468 53.427 52.037 -0.130 0.000 0.624 414 A CB -1.588 17.334 19.000 -0.130 0.000 0.822 414 A HN 0.225 nan 8.150 nan 0.000 0.444 415 P HA -0.097 nan 4.420 nan 0.000 0.215 415 P C 1.766 178.691 177.300 -0.625 0.000 1.153 415 P CA 1.712 64.635 63.100 -0.296 0.000 0.853 415 P CB -0.378 31.217 31.700 -0.175 0.000 0.788 416 G N 0.185 108.613 108.800 -0.621 0.000 2.446 416 G HA2 -0.297 3.664 3.960 0.001 0.000 0.217 416 G HA3 -0.297 3.664 3.960 0.001 0.000 0.217 416 G C 1.669 176.463 174.900 -0.177 0.000 1.168 416 G CA 1.118 46.016 45.100 -0.337 0.000 0.771 416 G HN 0.332 nan 8.290 nan 0.000 0.551 417 A N 1.122 123.851 122.820 -0.151 0.000 1.902 417 A HA 0.287 4.608 4.320 0.001 0.000 0.217 417 A C 2.841 180.345 177.584 -0.134 0.000 1.181 417 A CA 2.278 54.244 52.037 -0.119 0.000 0.623 417 A CB -0.844 18.098 19.000 -0.097 0.000 0.818 417 A HN 0.852 nan 8.150 nan 0.000 0.443 418 A N -0.085 122.651 122.820 -0.141 0.000 1.908 418 A HA 0.120 4.440 4.320 0.001 0.000 0.218 418 A C 2.497 179.999 177.584 -0.136 0.000 1.181 418 A CA 2.192 54.163 52.037 -0.111 0.000 0.627 418 A CB -1.001 17.946 19.000 -0.087 0.000 0.818 418 A HN 1.062 nan 8.150 nan 0.000 0.445 419 A N 0.252 122.960 122.820 -0.186 0.000 1.902 419 A HA -0.220 4.101 4.320 0.001 0.000 0.217 419 A C 1.894 179.344 177.584 -0.223 0.000 1.181 419 A CA 1.834 53.754 52.037 -0.194 0.000 0.623 419 A CB -0.828 18.091 19.000 -0.134 0.000 0.818 419 A HN 0.705 nan 8.150 nan 0.000 0.443 420 N N -1.164 117.379 118.700 -0.261 0.000 2.142 420 N HA -0.145 4.595 4.740 0.001 0.000 0.186 420 N C 1.948 177.310 175.510 -0.246 0.000 1.023 420 N CA 1.325 54.134 53.050 -0.400 0.000 0.852 420 N CB -0.130 38.008 38.487 -0.581 0.000 0.998 420 N HN 0.439 nan 8.380 nan 0.000 0.424 421 R N 1.120 121.529 120.500 -0.152 0.000 2.075 421 R HA 0.018 4.358 4.340 0.001 0.000 0.232 421 R C 1.715 177.992 176.300 -0.039 0.000 1.126 421 R CA 0.975 57.030 56.100 -0.075 0.000 0.963 421 R CB -0.708 29.560 30.300 -0.053 0.000 0.858 421 R HN -0.000 nan 8.270 nan 0.000 0.435 422 V N 1.008 120.893 119.914 -0.049 0.000 2.287 422 V HA -0.239 3.881 4.120 0.001 0.000 0.248 422 V C 2.379 178.450 176.094 -0.038 0.000 1.053 422 V CA 2.056 64.355 62.300 -0.001 0.000 1.027 422 V CB -1.053 30.707 31.823 -0.105 0.000 0.646 422 V HN 0.555 nan 8.190 nan 0.000 0.447 423 A N -0.219 122.523 122.820 -0.130 0.000 1.908 423 A HA -0.236 4.084 4.320 0.001 0.000 0.218 423 A C 2.181 179.737 177.584 -0.048 0.000 1.181 423 A CA 2.299 54.258 52.037 -0.130 0.000 0.627 423 A CB -0.649 18.229 19.000 -0.203 0.000 0.818 423 A HN 0.465 nan 8.150 nan 0.000 0.445 424 L N 0.111 121.311 121.223 -0.039 0.000 1.994 424 L HA -0.170 4.170 4.340 0.001 0.000 0.208 424 L C 2.220 179.114 176.870 0.039 0.000 1.071 424 L CA 2.568 57.417 54.840 0.016 0.000 0.745 424 L CB -0.734 41.337 42.059 0.020 0.000 0.892 424 L HN 0.529 nan 8.230 nan 0.000 0.431 425 E N -0.477 119.750 120.200 0.044 0.000 2.106 425 E HA -0.172 4.179 4.350 0.001 0.000 0.192 425 E C 2.136 178.788 176.600 0.086 0.000 0.984 425 E CA 0.962 57.401 56.400 0.065 0.000 0.806 425 E CB -0.273 29.470 29.700 0.073 0.000 0.750 425 E HN 0.666 nan 8.360 nan 0.000 0.458 426 A N 1.083 123.969 122.820 0.109 0.000 1.877 426 A HA -0.205 4.115 4.320 0.001 0.000 0.216 426 A C 2.485 180.120 177.584 0.084 0.000 1.186 426 A CA 1.304 53.418 52.037 0.128 0.000 0.620 426 A CB -0.943 18.139 19.000 0.137 0.000 0.822 426 A HN 0.347 nan 8.150 nan 0.000 0.443 427 C N -1.025 118.313 119.300 0.063 0.000 2.413 427 C HA -0.097 4.363 4.460 0.001 0.000 0.276 427 C C 3.060 178.089 174.990 0.065 0.000 1.236 427 C CA 1.580 60.636 59.018 0.063 0.000 1.735 427 C CB -1.591 26.188 27.740 0.065 0.000 2.031 427 C HN 0.660 nan 8.230 nan 0.000 0.474 428 T N 0.190 114.782 114.554 0.063 0.000 2.684 428 T HA -0.294 4.056 4.350 0.001 0.000 0.267 428 T C 1.844 176.576 174.700 0.054 0.000 1.036 428 T CA 1.921 64.057 62.100 0.060 0.000 1.148 428 T CB -0.442 68.460 68.868 0.057 0.000 0.863 428 T HN 0.685 nan 8.240 nan 0.000 0.436 429 Q N 0.576 120.409 119.800 0.054 0.000 2.050 429 Q HA -0.124 4.216 4.340 0.001 0.000 0.202 429 Q C 2.535 178.563 176.000 0.046 0.000 0.980 429 Q CA 1.557 57.388 55.803 0.046 0.000 0.840 429 Q CB -0.314 28.452 28.738 0.047 0.000 0.898 429 Q HN 0.549 nan 8.270 nan 0.000 0.424 430 A N 1.373 124.226 122.820 0.055 0.000 1.877 430 A HA -0.209 4.111 4.320 0.001 0.000 0.216 430 A C 2.177 179.789 177.584 0.046 0.000 1.186 430 A CA 1.372 53.441 52.037 0.052 0.000 0.620 430 A CB -0.739 18.297 19.000 0.060 0.000 0.822 430 A HN 0.325 nan 8.150 nan 0.000 0.443 431 R N 0.324 120.853 120.500 0.049 0.000 2.115 431 R HA -0.191 4.149 4.340 0.001 0.000 0.239 431 R C 1.856 178.179 176.300 0.039 0.000 1.133 431 R CA 2.237 58.364 56.100 0.045 0.000 0.935 431 R CB -0.899 29.432 30.300 0.051 0.000 0.853 431 R HN 0.762 nan 8.270 nan 0.000 0.433 432 N N 0.108 118.830 118.700 0.038 0.000 2.272 432 N HA -0.160 4.580 4.740 0.001 0.000 0.185 432 N C 1.198 176.724 175.510 0.027 0.000 1.014 432 N CA 0.930 53.999 53.050 0.032 0.000 0.870 432 N CB -0.038 38.468 38.487 0.031 0.000 0.975 432 N HN 0.442 nan 8.380 nan 0.000 0.433 433 E N -0.506 119.711 120.200 0.028 0.000 2.478 433 E HA 0.052 4.402 4.350 0.001 0.000 0.194 433 E C 0.967 177.582 176.600 0.024 0.000 1.045 433 E CA 0.136 56.551 56.400 0.024 0.000 0.868 433 E CB 0.410 30.126 29.700 0.026 0.000 0.885 433 E HN 0.441 nan 8.360 nan 0.000 0.505 434 G N 1.708 110.524 108.800 0.027 0.000 2.163 434 G HA2 -0.229 3.732 3.960 0.001 0.000 0.213 434 G HA3 -0.229 3.732 3.960 0.001 0.000 0.213 434 G C 0.159 175.075 174.900 0.028 0.000 0.991 434 G CA -0.466 44.649 45.100 0.025 0.000 0.653 434 G HN 0.042 nan 8.290 nan 0.000 0.518 435 R N 0.594 121.113 120.500 0.032 0.000 2.594 435 R HA 0.325 4.665 4.340 0.001 0.000 0.272 435 R C -0.698 175.624 176.300 0.037 0.000 1.074 435 R CA -0.331 55.790 56.100 0.036 0.000 1.105 435 R CB 0.620 30.945 30.300 0.042 0.000 1.008 435 R HN 0.209 nan 8.270 nan 0.000 0.472 436 D N 3.017 123.439 120.400 0.037 0.000 2.380 436 D HA 0.069 4.709 4.640 0.001 0.000 0.230 436 D C 1.038 177.365 176.300 0.045 0.000 1.154 436 D CA -0.174 53.848 54.000 0.036 0.000 0.859 436 D CB 0.752 41.571 40.800 0.031 0.000 1.045 436 D HN 0.403 nan 8.370 nan 0.000 0.495 437 L N 3.150 124.402 121.223 0.049 0.000 2.141 437 L HA -0.095 4.245 4.340 0.001 0.000 0.209 437 L C 2.385 179.294 176.870 0.065 0.000 1.094 437 L CA 1.046 55.922 54.840 0.061 0.000 0.763 437 L CB -0.251 41.848 42.059 0.066 0.000 0.908 437 L HN 0.450 nan 8.230 nan 0.000 0.437 438 A N -0.164 122.687 122.820 0.052 0.000 1.972 438 A HA -0.205 4.115 4.320 0.001 0.000 0.219 438 A C 2.476 180.091 177.584 0.052 0.000 1.169 438 A CA 1.608 53.675 52.037 0.050 0.000 0.635 438 A CB -0.376 18.644 19.000 0.034 0.000 0.810 438 A HN 0.343 nan 8.150 nan 0.000 0.446 439 R N -0.844 119.684 120.500 0.047 0.000 2.103 439 R HA 0.068 4.408 4.340 0.001 0.000 0.212 439 R C 1.228 177.560 176.300 0.054 0.000 1.107 439 R CA 1.005 57.131 56.100 0.044 0.000 1.025 439 R CB 0.071 30.392 30.300 0.035 0.000 0.929 439 R HN 0.557 nan 8.270 nan 0.000 0.456 440 E N -0.848 119.387 120.200 0.058 0.000 2.481 440 E HA 0.090 4.441 4.350 0.001 0.000 0.198 440 E C 1.331 177.980 176.600 0.082 0.000 1.027 440 E CA 0.118 56.557 56.400 0.065 0.000 0.900 440 E CB 0.917 30.651 29.700 0.056 0.000 0.993 440 E HN 0.446 nan 8.360 nan 0.000 0.482 441 G N 1.511 110.368 108.800 0.094 0.000 2.446 441 G HA2 -0.289 3.672 3.960 0.001 0.000 0.217 441 G HA3 -0.289 3.672 3.960 0.001 0.000 0.217 441 G C 1.533 176.524 174.900 0.152 0.000 1.168 441 G CA 0.856 46.025 45.100 0.115 0.000 0.771 441 G HN 0.389 nan 8.290 nan 0.000 0.551 442 G N 0.779 109.695 108.800 0.192 0.000 2.469 442 G HA2 -0.236 3.725 3.960 0.001 0.000 0.219 442 G HA3 -0.236 3.725 3.960 0.001 0.000 0.219 442 G C 1.499 176.533 174.900 0.224 0.000 1.150 442 G CA 1.415 46.689 45.100 0.289 0.000 0.763 442 G HN 0.351 nan 8.290 nan 0.000 0.561 443 D N 0.039 120.522 120.400 0.138 0.000 2.144 443 D HA -0.069 4.571 4.640 0.001 0.000 0.200 443 D C 2.789 179.138 176.300 0.081 0.000 0.978 443 D CA 0.663 54.724 54.000 0.102 0.000 0.833 443 D CB -0.362 40.485 40.800 0.078 0.000 0.961 443 D HN 0.221 nan 8.370 nan 0.000 0.470 444 V N 1.560 121.519 119.914 0.076 0.000 2.295 444 V HA -0.211 3.909 4.120 0.001 0.000 0.246 444 V C 2.475 178.577 176.094 0.013 0.000 1.049 444 V CA 0.952 63.287 62.300 0.059 0.000 1.024 444 V CB -0.230 31.631 31.823 0.063 0.000 0.648 444 V HN 0.161 nan 8.190 nan 0.000 0.447 445 I N 0.071 120.629 120.570 -0.020 0.000 2.163 445 I HA -0.215 3.955 4.170 0.001 0.000 0.243 445 I C 2.647 178.649 176.117 -0.191 0.000 1.085 445 I CA 1.735 62.930 61.300 -0.175 0.000 1.347 445 I CB -1.269 36.534 38.000 -0.328 0.000 1.044 445 I HN 0.308 nan 8.210 nan 0.000 0.408 446 R N 0.173 120.645 120.500 -0.046 0.000 2.120 446 R HA -0.105 4.235 4.340 0.001 0.000 0.234 446 R C 2.475 178.757 176.300 -0.031 0.000 1.123 446 R CA 1.505 57.601 56.100 -0.006 0.000 0.975 446 R CB -0.209 30.156 30.300 0.107 0.000 0.866 446 R HN 0.296 nan 8.270 nan 0.000 0.446 447 S N 0.545 116.246 115.700 0.002 0.000 2.368 447 S HA -0.116 4.355 4.470 0.001 0.000 0.224 447 S C 2.001 176.597 174.600 -0.007 0.000 1.029 447 S CA 1.226 59.453 58.200 0.045 0.000 0.988 447 S CB -0.056 63.207 63.200 0.105 0.000 0.838 447 S HN 0.474 nan 8.310 nan 0.000 0.462 448 A N 0.276 123.019 122.820 -0.129 0.000 1.968 448 A HA -0.090 4.230 4.320 0.001 0.000 0.217 448 A C 2.291 179.341 177.584 -0.891 0.000 1.169 448 A CA 1.086 52.808 52.037 -0.524 0.000 0.638 448 A CB -1.133 17.655 19.000 -0.354 0.000 0.812 448 A HN 0.604 nan 8.150 nan 0.000 0.446 449 C N -0.540 118.469 119.300 -0.485 0.000 2.410 449 C HA -0.094 4.367 4.460 0.001 0.000 0.281 449 C C 2.633 177.447 174.990 -0.293 0.000 1.318 449 C CA 1.393 60.180 59.018 -0.384 0.000 1.776 449 C CB -1.115 26.482 27.740 -0.239 0.000 1.942 449 C HN 0.620 nan 8.230 nan 0.000 0.508 450 K N 0.242 120.511 120.400 -0.218 0.000 2.097 450 K HA -0.111 4.209 4.320 0.001 0.000 0.205 450 K C 1.856 178.470 176.600 0.023 0.000 1.050 450 K CA 1.547 57.804 56.287 -0.049 0.000 0.938 450 K CB -0.122 32.411 32.500 0.055 0.000 0.718 450 K HN 0.848 nan 8.250 nan 0.000 0.442 451 W N -1.317 119.983 121.300 -0.001 0.000 3.177 451 W HA 0.343 5.004 4.660 0.001 0.000 0.309 451 W C 0.030 176.553 176.519 0.007 0.000 1.224 451 W CA -0.360 56.988 57.345 0.004 0.000 1.718 451 W CB 0.001 29.461 29.460 0.000 0.000 1.078 451 W HN -0.174 nan 8.180 nan 0.000 0.618 452 S N 2.675 118.097 115.700 -0.464 0.000 2.622 452 S HA 0.382 4.852 4.470 0.001 0.000 0.283 452 S C -1.644 172.827 174.600 -0.216 0.000 1.197 452 S CA -1.297 56.674 58.200 -0.381 0.000 1.146 452 S CB 1.271 63.981 63.200 -0.816 0.000 1.007 452 S HN -0.308 nan 8.310 nan 0.000 0.478 453 P HA -0.057 nan 4.420 nan 0.000 0.218 453 P C 0.923 178.196 177.300 -0.045 0.000 1.149 453 P CA 0.942 64.096 63.100 0.089 0.000 0.817 453 P CB 0.251 32.133 31.700 0.303 0.000 0.785 454 E N -0.529 119.644 120.200 -0.045 0.000 2.058 454 E HA -0.168 4.182 4.350 0.001 0.000 0.194 454 E C 1.853 178.310 176.600 -0.237 0.000 0.997 454 E CA 0.879 57.150 56.400 -0.216 0.000 0.801 454 E CB -1.330 28.296 29.700 -0.123 0.000 0.746 454 E HN 0.118 nan 8.360 nan 0.000 0.450 455 L N 0.464 121.530 121.223 -0.261 0.000 2.046 455 L HA -0.057 4.284 4.340 0.001 0.000 0.208 455 L C 2.048 178.720 176.870 -0.329 0.000 1.077 455 L CA 2.062 56.718 54.840 -0.307 0.000 0.747 455 L CB -0.936 40.883 42.059 -0.401 0.000 0.896 455 L HN 0.118 nan 8.230 nan 0.000 0.432 456 A N -0.333 122.305 122.820 -0.304 0.000 1.883 456 A HA -0.171 4.149 4.320 0.001 0.000 0.217 456 A C 2.476 179.885 177.584 -0.292 0.000 1.186 456 A CA 2.105 53.993 52.037 -0.249 0.000 0.624 456 A CB -1.281 17.622 19.000 -0.162 0.000 0.822 456 A HN 0.592 nan 8.150 nan 0.000 0.444 457 A N -0.216 122.340 122.820 -0.440 0.000 1.908 457 A HA 0.111 4.431 4.320 0.001 0.000 0.218 457 A C 2.529 179.679 177.584 -0.724 0.000 1.181 457 A CA 2.338 53.976 52.037 -0.665 0.000 0.627 457 A CB -1.078 17.143 19.000 -1.298 0.000 0.818 457 A HN 1.119 nan 8.150 nan 0.000 0.445 458 A N -1.019 121.425 122.820 -0.626 0.000 1.877 458 A HA -0.175 4.145 4.320 0.001 0.000 0.216 458 A C 2.325 179.747 177.584 -0.271 0.000 1.186 458 A CA 1.679 53.425 52.037 -0.486 0.000 0.620 458 A CB -1.342 17.634 19.000 -0.041 0.000 0.822 458 A HN 0.607 nan 8.150 nan 0.000 0.443 459 C N -0.850 118.303 119.300 -0.245 0.000 2.413 459 C HA -0.105 4.355 4.460 0.001 0.000 0.276 459 C C 2.686 177.797 174.990 0.202 0.000 1.248 459 C CA 1.222 60.198 59.018 -0.069 0.000 1.742 459 C CB -1.130 26.448 27.740 -0.269 0.000 2.017 459 C HN 0.645 nan 8.230 nan 0.000 0.481 460 E N 0.350 120.515 120.200 -0.060 0.000 2.077 460 E HA -0.152 4.198 4.350 0.001 0.000 0.193 460 E C 2.193 178.683 176.600 -0.183 0.000 0.989 460 E CA 1.200 57.548 56.400 -0.087 0.000 0.800 460 E CB -0.036 29.576 29.700 -0.147 0.000 0.746 460 E HN 0.486 nan 8.360 nan 0.000 0.452 461 V N -0.166 119.505 119.914 -0.404 0.000 2.427 461 V HA -0.176 3.944 4.120 0.001 0.000 0.248 461 V C 1.409 177.201 176.094 -0.504 0.000 1.051 461 V CA 1.159 63.087 62.300 -0.619 0.000 1.048 461 V CB -0.239 30.905 31.823 -1.132 0.000 0.666 461 V HN 0.403 nan 8.190 nan 0.000 0.456 462 W N -0.620 120.595 121.300 -0.142 0.000 2.862 462 W HA 0.338 4.998 4.660 0.001 0.000 0.376 462 W C 1.839 178.210 176.519 -0.248 0.000 1.028 462 W CA -0.940 56.229 57.345 -0.294 0.000 1.757 462 W CB -0.250 28.835 29.460 -0.625 0.000 1.128 462 W HN 0.236 nan 8.180 nan 0.000 0.566 463 K N 1.293 121.734 120.400 0.069 0.000 2.077 463 K HA -0.222 4.098 4.320 0.001 0.000 0.213 463 K C 1.207 177.618 176.600 -0.316 0.000 1.051 463 K CA 1.813 57.949 56.287 -0.251 0.000 0.929 463 K CB 0.242 32.650 32.500 -0.155 0.000 0.715 463 K HN -0.071 nan 8.250 nan 0.000 0.451 464 E N 0.310 120.410 120.200 -0.166 0.000 2.489 464 E HA 0.014 4.364 4.350 0.001 0.000 0.193 464 E C 0.096 176.633 176.600 -0.106 0.000 1.057 464 E CA 0.153 56.465 56.400 -0.146 0.000 0.866 464 E CB 0.301 29.934 29.700 -0.111 0.000 0.916 464 E HN 0.249 nan 8.360 nan 0.000 0.500 465 I N 2.089 122.625 120.570 -0.056 0.000 2.337 465 I HA 0.190 4.361 4.170 0.001 0.000 0.291 465 I C 0.405 176.544 176.117 0.038 0.000 1.046 465 I CA -0.043 61.242 61.300 -0.025 0.000 1.324 465 I CB 0.185 38.221 38.000 0.060 0.000 1.409 465 I HN -0.257 nan 8.210 nan 0.000 0.494 466 K N 5.581 125.865 120.400 -0.194 0.000 2.480 466 K HA 0.643 4.963 4.320 0.001 0.000 0.258 466 K C -1.484 174.861 176.600 -0.426 0.000 0.990 466 K CA -0.613 55.606 56.287 -0.112 0.000 0.857 466 K CB 2.597 35.070 32.500 -0.046 0.000 1.384 466 K HN 0.159 nan 8.250 nan 0.000 0.446 467 F N 1.448 121.483 119.950 0.141 0.000 2.610 467 F HA 0.305 4.832 4.527 0.001 0.000 0.355 467 F C -0.567 175.293 175.800 0.101 0.000 1.140 467 F CA -0.533 57.570 58.000 0.171 0.000 1.037 467 F CB 1.634 40.772 39.000 0.229 0.000 1.287 467 F HN 0.283 nan 8.300 nan 0.000 0.457 468 E N 3.990 124.173 120.200 -0.028 0.000 2.255 468 E HA 0.557 4.907 4.350 0.001 0.000 0.256 468 E C -1.382 174.994 176.600 -0.373 0.000 0.887 468 E CA -0.498 55.846 56.400 -0.093 0.000 0.782 468 E CB 1.980 31.611 29.700 -0.114 0.000 1.214 468 E HN 0.332 nan 8.360 nan 0.000 0.417 469 F N 0.350 120.344 119.950 0.074 0.000 2.626 469 F HA 0.193 4.721 4.527 0.001 0.000 0.311 469 F C 0.034 175.862 175.800 0.047 0.000 1.088 469 F CA -1.188 56.847 58.000 0.059 0.000 0.949 469 F CB 1.472 40.514 39.000 0.069 0.000 1.322 469 F HN 0.260 nan 8.300 nan 0.000 0.461 470 D N 0.906 121.450 120.400 0.241 0.000 2.458 470 D HA 0.116 4.756 4.640 0.001 0.000 0.243 470 D C -0.422 175.959 176.300 0.136 0.000 1.146 470 D CA 0.508 54.596 54.000 0.146 0.000 0.877 470 D CB 0.772 41.640 40.800 0.113 0.000 1.176 470 D HN 0.415 nan 8.370 nan 0.000 0.461 471 T N 5.901 120.518 114.554 0.105 0.000 2.814 471 T HA 0.093 4.443 4.350 0.001 0.000 0.297 471 T C 1.470 176.215 174.700 0.076 0.000 0.956 471 T CA -0.740 61.414 62.100 0.091 0.000 1.123 471 T CB 0.686 69.605 68.868 0.084 0.000 0.902 471 T HN 0.299 nan 8.240 nan 0.000 0.528 472 I N 1.875 122.485 120.570 0.066 0.000 2.235 472 I HA -0.004 4.166 4.170 0.001 0.000 0.241 472 I C 1.463 177.625 176.117 0.075 0.000 1.085 472 I CA 0.976 62.311 61.300 0.058 0.000 1.378 472 I CB -0.738 37.284 38.000 0.037 0.000 1.076 472 I HN 0.566 nan 8.210 nan 0.000 0.415 473 D N 2.746 123.199 120.400 0.088 0.000 2.608 473 D HA 0.072 4.712 4.640 0.001 0.000 0.224 473 D C 0.048 176.436 176.300 0.147 0.000 1.123 473 D CA 0.120 54.197 54.000 0.129 0.000 1.030 473 D CB -0.236 40.647 40.800 0.138 0.000 1.093 473 D HN 0.096 nan 8.370 nan 0.000 0.497 474 K N 1.551 122.021 120.400 0.117 0.000 2.118 474 K HA 0.333 4.653 4.320 0.001 0.000 0.264 474 K C 0.621 177.285 176.600 0.108 0.000 1.000 474 K CA -0.805 55.542 56.287 0.100 0.000 0.929 474 K CB 1.497 34.039 32.500 0.071 0.000 1.021 474 K HN 0.262 nan 8.250 nan 0.000 0.463 475 L N 0.000 121.274 121.223 0.085 0.000 2.949 475 L HA 0.000 4.340 4.340 0.001 0.000 0.249 475 L CA 0.000 54.882 54.840 0.070 0.000 0.813 475 L CB 0.000 42.077 42.059 0.030 0.000 0.961 475 L HN 0.000 nan 8.230 nan 0.000 0.502