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 1uzd_1_V 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 TVVGKLEGER EVTLGFVDLM 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 -0.000 0.000 0.244 10 G C 0.000 174.910 174.900 0.017 0.000 0.946 10 G CA 0.000 45.107 45.100 0.012 0.000 0.502 11 A N 0.401 123.233 122.820 0.020 0.000 2.476 11 A HA 0.673 4.993 4.320 -0.000 0.000 0.275 11 A C 1.116 178.730 177.584 0.049 0.000 1.133 11 A CA 0.928 52.981 52.037 0.027 0.000 0.797 11 A CB -0.003 19.011 19.000 0.022 0.000 1.081 11 A HN 1.763 nan 8.150 nan 0.000 0.510 12 G N 0.738 109.572 108.800 0.055 0.000 2.702 12 G HA2 0.507 4.467 3.960 -0.000 0.000 0.254 12 G HA3 0.507 4.467 3.960 -0.000 0.000 0.254 12 G C -0.565 174.434 174.900 0.165 0.000 1.380 12 G CA -0.625 44.533 45.100 0.096 0.000 1.042 12 G HN 0.724 nan 8.290 nan 0.000 0.557 13 F N 1.071 121.043 119.950 0.036 0.000 2.411 13 F HA 0.561 5.088 4.527 -0.000 0.000 0.355 13 F C 0.167 175.984 175.800 0.028 0.000 1.117 13 F CA -1.258 56.775 58.000 0.054 0.000 1.139 13 F CB 1.096 40.157 39.000 0.101 0.000 1.120 13 F HN 0.102 nan 8.300 nan 0.000 0.493 14 K N 6.237 126.396 120.400 -0.401 0.000 2.449 14 K HA 0.593 4.913 4.320 -0.000 0.000 0.257 14 K C -0.679 175.536 176.600 -0.640 0.000 0.989 14 K CA -0.576 55.399 56.287 -0.520 0.000 0.916 14 K CB 1.190 33.562 32.500 -0.212 0.000 1.136 14 K HN 0.838 nan 8.250 nan 0.000 0.439 15 A N 2.371 124.648 122.820 -0.906 0.000 2.483 15 A HA 0.552 4.872 4.320 -0.000 0.000 0.238 15 A C 0.486 177.939 177.584 -0.219 0.000 1.070 15 A CA 0.958 52.709 52.037 -0.477 0.000 0.770 15 A CB 0.038 18.848 19.000 -0.316 0.000 1.008 15 A HN 0.949 nan 8.150 nan 0.000 0.497 16 G N -0.787 107.934 108.800 -0.132 0.000 2.357 16 G HA2 0.341 4.301 3.960 -0.000 0.000 0.643 16 G HA3 0.341 4.301 3.960 -0.000 0.000 0.643 16 G C -0.897 173.933 174.900 -0.116 0.000 1.358 16 G CA -0.462 44.576 45.100 -0.104 0.000 0.986 16 G HN 1.406 nan 8.290 nan 0.000 0.620 17 V N 1.530 121.398 119.914 -0.076 0.000 2.649 17 V HA 0.666 4.785 4.120 -0.000 0.000 0.292 17 V C 0.729 176.783 176.094 -0.066 0.000 1.055 17 V CA 0.782 63.039 62.300 -0.071 0.000 1.023 17 V CB 1.168 33.016 31.823 0.042 0.000 0.992 17 V HN 1.112 nan 8.190 nan 0.000 0.480 18 K N 1.737 122.078 120.400 -0.098 0.000 2.469 18 K HA 0.573 4.893 4.320 -0.000 0.000 0.268 18 K C -1.511 175.020 176.600 -0.115 0.000 1.027 18 K CA -1.091 55.152 56.287 -0.074 0.000 0.893 18 K CB 1.587 34.057 32.500 -0.050 0.000 1.460 18 K HN 0.329 nan 8.250 nan 0.000 0.449 19 D N 0.877 121.245 120.400 -0.054 0.000 2.414 19 D HA 0.051 4.691 4.640 -0.000 0.000 0.242 19 D C 0.579 176.889 176.300 0.016 0.000 1.129 19 D CA 0.144 54.128 54.000 -0.027 0.000 0.885 19 D CB 0.270 41.090 40.800 0.034 0.000 1.198 19 D HN 0.438 nan 8.370 nan 0.000 0.437 20 Y N 1.354 121.713 120.300 0.099 0.000 2.256 20 Y HA -0.210 4.340 4.550 -0.000 0.000 0.288 20 Y C 2.405 178.430 175.900 0.209 0.000 1.155 20 Y CA 1.185 59.382 58.100 0.162 0.000 1.203 20 Y CB -0.268 38.221 38.460 0.048 0.000 0.980 20 Y HN 0.463 nan 8.280 nan 0.000 0.530 21 R N 0.432 121.097 120.500 0.276 0.000 2.193 21 R HA -0.129 4.211 4.340 -0.000 0.000 0.229 21 R C 1.607 178.026 176.300 0.198 0.000 1.110 21 R CA 1.580 57.819 56.100 0.231 0.000 0.988 21 R CB -1.063 29.318 30.300 0.134 0.000 0.871 21 R HN 0.351 nan 8.270 nan 0.000 0.458 22 L N 0.717 122.022 121.223 0.137 0.000 2.275 22 L HA -0.051 4.289 4.340 -0.000 0.000 0.215 22 L C 1.436 178.318 176.870 0.020 0.000 1.119 22 L CA 1.340 56.223 54.840 0.071 0.000 0.790 22 L CB -0.162 41.922 42.059 0.041 0.000 0.919 22 L HN 0.299 nan 8.230 nan 0.000 0.443 23 T N -3.218 111.342 114.554 0.010 0.000 2.987 23 T HA 0.067 4.417 4.350 -0.000 0.000 0.248 23 T C 0.982 175.460 174.700 -0.370 0.000 0.997 23 T CA 0.232 62.184 62.100 -0.247 0.000 1.013 23 T CB 0.180 68.785 68.868 -0.438 0.000 1.077 23 T HN 0.115 nan 8.240 nan 0.000 0.483 24 Y N -0.425 119.921 120.300 0.076 0.000 2.445 24 Y HA 0.420 4.970 4.550 -0.000 0.000 0.247 24 Y C 0.030 175.986 175.900 0.094 0.000 1.129 24 Y CA -1.160 56.968 58.100 0.047 0.000 1.251 24 Y CB 0.509 38.991 38.460 0.037 0.000 1.176 24 Y HN 0.156 nan 8.280 nan 0.000 0.522 25 Y N 2.439 122.792 120.300 0.088 0.000 2.404 25 Y HA 0.420 4.969 4.550 -0.000 0.000 0.344 25 Y C -0.013 175.907 175.900 0.033 0.000 0.970 25 Y CA -1.397 56.733 58.100 0.050 0.000 1.180 25 Y CB 0.617 39.101 38.460 0.041 0.000 1.138 25 Y HN 0.029 nan 8.280 nan 0.000 0.510 26 T N 5.823 120.203 114.554 -0.291 0.000 3.226 26 T HA 0.287 4.637 4.350 -0.000 0.000 0.378 26 T C -2.438 172.119 174.700 -0.239 0.000 1.380 26 T CA -1.802 60.140 62.100 -0.263 0.000 1.396 26 T CB 1.257 70.056 68.868 -0.115 0.000 1.044 26 T HN 0.449 nan 8.240 nan 0.000 0.586 27 P HA 0.108 nan 4.420 nan 0.000 0.237 27 P C 0.203 177.482 177.300 -0.036 0.000 1.178 27 P CA 0.584 63.539 63.100 -0.241 0.000 0.766 27 P CB 0.260 31.759 31.700 -0.334 0.000 0.876 28 D N -1.913 118.470 120.400 -0.028 0.000 2.369 28 D HA 0.012 4.652 4.640 -0.000 0.000 0.211 28 D C 0.321 176.646 176.300 0.041 0.000 1.077 28 D CA -0.305 53.698 54.000 0.005 0.000 0.842 28 D CB -0.421 40.369 40.800 -0.017 0.000 0.947 28 D HN 0.183 nan 8.370 nan 0.000 0.509 29 Y N 1.899 122.168 120.300 -0.053 0.000 2.526 29 Y HA 0.143 4.693 4.550 -0.000 0.000 0.330 29 Y C -0.152 175.685 175.900 -0.105 0.000 1.156 29 Y CA -0.311 57.745 58.100 -0.074 0.000 1.419 29 Y CB 0.608 39.026 38.460 -0.069 0.000 1.250 29 Y HN -0.338 nan 8.280 nan 0.000 0.540 30 V N 8.634 128.115 119.914 -0.721 0.000 2.385 30 V HA 0.205 4.325 4.120 -0.000 0.000 0.269 30 V C -0.063 175.392 176.094 -1.066 0.000 1.043 30 V CA -0.723 61.188 62.300 -0.647 0.000 0.906 30 V CB 0.581 32.175 31.823 -0.381 0.000 0.995 30 V HN 0.740 nan 8.190 nan 0.000 0.467 31 V N 4.419 123.883 119.914 -0.749 0.000 2.811 31 V HA 0.454 4.574 4.120 -0.000 0.000 0.302 31 V C 0.358 176.241 176.094 -0.353 0.000 1.063 31 V CA -0.513 61.438 62.300 -0.581 0.000 1.088 31 V CB 0.439 31.988 31.823 -0.456 0.000 0.982 31 V HN 0.857 nan 8.190 nan 0.000 0.485 32 R N 2.738 123.121 120.500 -0.195 0.000 2.500 32 R HA 0.353 4.693 4.340 -0.000 0.000 0.277 32 R C 0.345 176.601 176.300 -0.073 0.000 1.026 32 R CA -0.576 55.456 56.100 -0.112 0.000 1.058 32 R CB 0.777 31.053 30.300 -0.039 0.000 1.078 32 R HN 0.774 nan 8.270 nan 0.000 0.509 33 D N 0.451 120.817 120.400 -0.058 0.000 2.351 33 D HA -0.108 4.532 4.640 -0.000 0.000 0.216 33 D C 1.348 177.633 176.300 -0.025 0.000 0.968 33 D CA 1.470 55.446 54.000 -0.040 0.000 0.899 33 D CB 0.118 40.902 40.800 -0.026 0.000 0.907 33 D HN 0.636 nan 8.370 nan 0.000 0.514 34 T N -2.820 111.728 114.554 -0.009 0.000 3.069 34 T HA 0.056 4.406 4.350 -0.000 0.000 0.252 34 T C 0.475 175.185 174.700 0.018 0.000 1.053 34 T CA -0.531 61.577 62.100 0.014 0.000 0.964 34 T CB 0.391 69.280 68.868 0.035 0.000 1.005 34 T HN -0.233 nan 8.240 nan 0.000 0.532 35 D N 1.676 122.083 120.400 0.011 0.000 2.382 35 D HA 0.346 4.986 4.640 -0.000 0.000 0.245 35 D C -0.144 176.152 176.300 -0.008 0.000 1.120 35 D CA -0.464 53.562 54.000 0.044 0.000 0.890 35 D CB 0.722 41.556 40.800 0.055 0.000 1.201 35 D HN 0.184 nan 8.370 nan 0.000 0.433 36 I N 2.091 122.686 120.570 0.041 0.000 2.441 36 I HA 0.121 4.291 4.170 -0.000 0.000 0.287 36 I C 0.031 176.197 176.117 0.082 0.000 1.049 36 I CA -0.063 61.205 61.300 -0.054 0.000 1.381 36 I CB 0.490 38.338 38.000 -0.253 0.000 1.409 36 I HN 0.057 nan 8.210 nan 0.000 0.523 37 L N 6.301 127.437 121.223 -0.145 0.000 2.329 37 L HA 0.848 5.188 4.340 -0.000 0.000 0.279 37 L C -0.102 176.669 176.870 -0.165 0.000 1.014 37 L CA -0.761 53.987 54.840 -0.153 0.000 0.814 37 L CB 1.543 43.289 42.059 -0.521 0.000 1.257 37 L HN 0.653 nan 8.230 nan 0.000 0.424 38 A N 2.249 125.173 122.820 0.173 0.000 2.342 38 A HA 0.879 5.198 4.320 -0.000 0.000 0.323 38 A C -0.536 177.116 177.584 0.114 0.000 1.125 38 A CA -0.543 51.537 52.037 0.073 0.000 0.785 38 A CB 1.645 20.632 19.000 -0.022 0.000 1.221 38 A HN 0.758 nan 8.150 nan 0.000 0.463 39 A N 1.847 124.607 122.820 -0.099 0.000 2.256 39 A HA 0.718 5.038 4.320 -0.000 0.000 0.317 39 A C -1.139 176.079 177.584 -0.610 0.000 1.318 39 A CA -0.272 51.472 52.037 -0.487 0.000 0.894 39 A CB -0.171 18.375 19.000 -0.756 0.000 1.165 39 A HN 0.615 nan 8.150 nan 0.000 0.525 40 F N 1.612 121.367 119.950 -0.325 0.000 2.427 40 F HA 0.476 5.003 4.527 -0.000 0.000 0.346 40 F C 0.879 176.537 175.800 -0.238 0.000 1.120 40 F CA -0.355 57.496 58.000 -0.248 0.000 1.033 40 F CB 1.646 40.511 39.000 -0.225 0.000 1.126 40 F HN 0.607 nan 8.300 nan 0.000 0.462 41 R N 5.251 125.747 120.500 -0.006 0.000 2.202 41 R HA 0.515 4.855 4.340 -0.000 0.000 0.334 41 R C -1.063 175.255 176.300 0.029 0.000 1.036 41 R CA -0.270 55.834 56.100 0.006 0.000 0.878 41 R CB 0.655 30.959 30.300 0.007 0.000 1.067 41 R HN 0.871 nan 8.270 nan 0.000 0.457 42 M N 3.573 123.199 119.600 0.044 0.000 2.326 42 M HA 0.306 4.786 4.480 -0.000 0.000 0.306 42 M C -1.358 174.998 176.300 0.092 0.000 1.054 42 M CA -0.359 54.952 55.300 0.019 0.000 0.922 42 M CB 2.508 35.098 32.600 -0.016 0.000 1.632 42 M HN 0.491 nan 8.290 nan 0.000 0.436 43 T N 5.804 120.394 114.554 0.061 0.000 2.977 43 T HA 0.462 4.812 4.350 -0.000 0.000 0.346 43 T C -2.685 172.055 174.700 0.067 0.000 1.140 43 T CA -1.089 61.064 62.100 0.088 0.000 1.040 43 T CB 0.838 69.749 68.868 0.072 0.000 1.046 43 T HN 0.401 nan 8.240 nan 0.000 0.494 44 P HA 0.169 nan 4.420 nan 0.000 0.274 44 P C 0.149 177.474 177.300 0.042 0.000 1.231 44 P CA -0.614 62.506 63.100 0.033 0.000 0.790 44 P CB 0.588 32.293 31.700 0.010 0.000 0.951 45 Q N 2.370 122.188 119.800 0.029 0.000 2.454 45 Q HA 0.140 4.480 4.340 -0.000 0.000 0.247 45 Q C -1.901 174.116 176.000 0.029 0.000 1.028 45 Q CA -1.242 54.579 55.803 0.030 0.000 0.910 45 Q CB -0.604 28.150 28.738 0.027 0.000 1.276 45 Q HN 0.366 nan 8.270 nan 0.000 0.489 46 P HA -0.046 nan 4.420 nan 0.000 0.265 46 P C 0.448 177.760 177.300 0.019 0.000 1.193 46 P CA 0.829 63.944 63.100 0.026 0.000 0.765 46 P CB 0.281 31.994 31.700 0.022 0.000 0.823 47 G N 1.349 110.159 108.800 0.016 0.000 2.159 47 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.256 47 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.256 47 G C -0.132 174.770 174.900 0.004 0.000 0.977 47 G CA -0.109 44.997 45.100 0.010 0.000 0.652 47 G HN 0.543 nan 8.290 nan 0.000 0.531 48 V N 2.332 122.244 119.914 -0.002 0.000 2.328 48 V HA 0.464 4.584 4.120 -0.000 0.000 0.278 48 V C -1.685 174.374 176.094 -0.058 0.000 1.021 48 V CA -1.667 60.623 62.300 -0.017 0.000 0.838 48 V CB 1.595 33.414 31.823 -0.006 0.000 0.999 48 V HN 0.141 nan 8.190 nan 0.000 0.447 49 P HA 0.184 nan 4.420 nan 0.000 0.268 49 P C -1.986 175.170 177.300 -0.239 0.000 1.204 49 P CA -1.394 61.623 63.100 -0.139 0.000 0.768 49 P CB 0.283 31.913 31.700 -0.117 0.000 0.842 50 P HA -0.204 nan 4.420 nan 0.000 0.216 50 P C 0.977 178.003 177.300 -0.455 0.000 1.150 50 P CA 1.606 64.359 63.100 -0.579 0.000 0.843 50 P CB 0.119 31.169 31.700 -1.083 0.000 0.787 51 E N -0.151 119.770 120.200 -0.465 0.000 2.106 51 E HA -0.192 4.158 4.350 -0.000 0.000 0.192 51 E C 2.085 178.443 176.600 -0.403 0.000 0.984 51 E CA 1.103 57.114 56.400 -0.649 0.000 0.806 51 E CB -0.708 28.497 29.700 -0.825 0.000 0.750 51 E HN 0.267 nan 8.360 nan 0.000 0.458 52 E N 0.108 120.166 120.200 -0.237 0.000 2.150 52 E HA -0.122 4.228 4.350 -0.000 0.000 0.193 52 E C 1.759 178.288 176.600 -0.118 0.000 0.985 52 E CA 0.810 57.154 56.400 -0.092 0.000 0.814 52 E CB -0.468 29.217 29.700 -0.024 0.000 0.752 52 E HN 0.271 nan 8.360 nan 0.000 0.466 53 C N -0.481 118.706 119.300 -0.188 0.000 2.462 53 C HA 0.035 4.495 4.460 -0.000 0.000 0.278 53 C C 2.670 177.481 174.990 -0.297 0.000 1.253 53 C CA 1.351 60.233 59.018 -0.226 0.000 1.713 53 C CB -1.340 26.271 27.740 -0.215 0.000 2.049 53 C HN 0.675 nan 8.230 nan 0.000 0.477 54 G N 0.061 108.697 108.800 -0.274 0.000 2.476 54 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.218 54 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.218 54 G C 1.921 176.694 174.900 -0.211 0.000 1.164 54 G CA 1.307 46.265 45.100 -0.236 0.000 0.768 54 G HN 0.717 nan 8.290 nan 0.000 0.560 55 A N 1.166 123.898 122.820 -0.146 0.000 1.902 55 A HA 0.248 4.568 4.320 -0.000 0.000 0.217 55 A C 2.867 180.247 177.584 -0.340 0.000 1.181 55 A CA 2.373 54.379 52.037 -0.052 0.000 0.623 55 A CB -0.918 18.163 19.000 0.135 0.000 0.818 55 A HN 0.905 nan 8.150 nan 0.000 0.443 56 A N -0.443 122.048 122.820 -0.549 0.000 1.892 56 A HA -0.098 4.221 4.320 -0.000 0.000 0.218 56 A C 2.261 179.229 177.584 -1.027 0.000 1.188 56 A CA 2.091 53.429 52.037 -1.164 0.000 0.631 56 A CB -1.158 17.300 19.000 -0.904 0.000 0.822 56 A HN 0.445 nan 8.150 nan 0.000 0.447 57 V N -0.224 119.233 119.914 -0.762 0.000 2.255 57 V HA -0.290 3.830 4.120 -0.000 0.000 0.247 57 V C 3.084 178.863 176.094 -0.525 0.000 1.051 57 V CA 2.199 64.065 62.300 -0.722 0.000 1.018 57 V CB -1.334 30.009 31.823 -0.799 0.000 0.641 57 V HN 0.657 nan 8.190 nan 0.000 0.445 58 A N -0.240 122.341 122.820 -0.399 0.000 1.902 58 A HA -0.133 4.187 4.320 -0.000 0.000 0.217 58 A C 2.411 179.792 177.584 -0.337 0.000 1.181 58 A CA 2.271 54.157 52.037 -0.251 0.000 0.623 58 A CB -0.814 18.109 19.000 -0.129 0.000 0.818 58 A HN 0.590 nan 8.150 nan 0.000 0.443 59 A N -0.411 121.986 122.820 -0.705 0.000 1.858 59 A HA -0.132 4.188 4.320 -0.000 0.000 0.216 59 A C 1.851 179.103 177.584 -0.554 0.000 1.190 59 A CA 1.527 52.874 52.037 -1.149 0.000 0.617 59 A CB -0.431 17.692 19.000 -1.462 0.000 0.827 59 A HN 0.475 nan 8.150 nan 0.000 0.443 60 E N 0.390 120.277 120.200 -0.522 0.000 2.511 60 E HA -0.039 4.311 4.350 -0.000 0.000 0.196 60 E C 1.420 177.929 176.600 -0.152 0.000 1.066 60 E CA 0.885 57.116 56.400 -0.282 0.000 0.871 60 E CB -0.080 29.404 29.700 -0.359 0.000 0.863 60 E HN 0.711 nan 8.360 nan 0.000 0.520 61 S N -0.890 114.732 115.700 -0.131 0.000 2.554 61 S HA 0.126 4.596 4.470 -0.000 0.000 0.226 61 S C 1.384 176.041 174.600 0.095 0.000 0.980 61 S CA 0.272 58.486 58.200 0.023 0.000 0.939 61 S CB 0.331 63.602 63.200 0.118 0.000 0.832 61 S HN 0.145 nan 8.310 nan 0.000 0.486 62 S N 1.436 117.161 115.700 0.042 0.000 4.207 62 S HA 0.163 4.633 4.470 -0.000 0.000 0.177 62 S C 1.404 176.018 174.600 0.024 0.000 0.981 62 S CA 0.604 58.848 58.200 0.074 0.000 1.097 62 S CB -0.237 63.076 63.200 0.188 0.000 1.525 62 S HN 0.517 nan 8.310 nan 0.000 0.686 63 T N -0.942 113.646 114.554 0.057 0.000 2.958 63 T HA 0.476 4.826 4.350 -0.000 0.000 0.256 63 T C 0.853 175.598 174.700 0.074 0.000 0.983 63 T CA 0.406 62.551 62.100 0.076 0.000 0.924 63 T CB 0.070 69.034 68.868 0.159 0.000 1.136 63 T HN 0.717 nan 8.240 nan 0.000 0.506 64 G N 0.377 109.186 108.800 0.015 0.000 2.437 64 G HA2 0.554 4.514 3.960 -0.000 0.000 0.319 64 G HA3 0.554 4.514 3.960 -0.000 0.000 0.319 64 G C -0.821 174.130 174.900 0.084 0.000 1.158 64 G CA -0.259 44.876 45.100 0.058 0.000 0.899 64 G HN 0.275 nan 8.290 nan 0.000 0.502 65 T N -0.818 113.817 114.554 0.134 0.000 2.724 65 T HA 0.414 4.764 4.350 -0.000 0.000 0.274 65 T C 0.869 175.703 174.700 0.224 0.000 0.984 65 T CA -0.489 61.738 62.100 0.212 0.000 1.024 65 T CB 0.776 69.726 68.868 0.136 0.000 1.320 65 T HN 0.673 nan 8.240 nan 0.000 0.555 66 W N 0.727 122.130 121.300 0.171 0.000 2.595 66 W HA 0.243 4.903 4.660 -0.000 0.000 0.257 66 W C 0.378 176.872 176.519 -0.042 0.000 1.267 66 W CA 0.582 57.980 57.345 0.088 0.000 1.300 66 W CB -1.150 28.372 29.460 0.105 0.000 1.120 66 W HN 0.536 nan 8.180 nan 0.000 0.618 67 T N 0.736 114.792 114.554 -0.831 0.000 2.865 67 T HA 0.360 4.710 4.350 -0.000 0.000 0.294 67 T C -0.458 174.006 174.700 -0.394 0.000 1.119 67 T CA -0.338 61.317 62.100 -0.742 0.000 1.007 67 T CB 1.883 69.917 68.868 -1.391 0.000 1.225 67 T HN -0.219 nan 8.240 nan 0.000 0.515 68 T N 2.418 116.852 114.554 -0.201 0.000 2.851 68 T HA 0.483 4.832 4.350 -0.000 0.000 0.298 68 T C 0.093 174.850 174.700 0.094 0.000 0.977 68 T CA -0.425 61.666 62.100 -0.014 0.000 1.126 68 T CB 0.282 69.187 68.868 0.063 0.000 0.916 68 T HN 0.649 nan 8.240 nan 0.000 0.529 69 V N 3.039 122.969 119.914 0.027 0.000 2.513 69 V HA 0.457 4.577 4.120 -0.000 0.000 0.299 69 V C 1.261 177.204 176.094 -0.252 0.000 1.035 69 V CA -1.177 61.058 62.300 -0.108 0.000 0.889 69 V CB 1.249 32.925 31.823 -0.245 0.000 0.988 69 V HN 1.053 nan 8.190 nan 0.000 0.440 70 W N 2.724 123.580 121.300 -0.739 0.000 2.374 70 W HA -0.136 4.524 4.660 -0.000 0.000 0.288 70 W C 1.498 177.779 176.519 -0.398 0.000 1.218 70 W CA 1.673 58.417 57.345 -1.002 0.000 1.245 70 W CB -1.729 26.799 29.460 -1.555 0.000 1.126 70 W HN 0.761 nan 8.180 nan 0.000 0.545 71 T N -0.848 113.024 114.554 -1.137 0.000 2.897 71 T HA -0.243 4.106 4.350 -0.000 0.000 0.271 71 T C 1.163 175.635 174.700 -0.380 0.000 1.084 71 T CA 1.685 63.205 62.100 -0.966 0.000 1.123 71 T CB -0.658 67.581 68.868 -1.048 0.000 0.865 71 T HN -0.049 nan 8.240 nan 0.000 0.496 72 D N 2.049 122.300 120.400 -0.248 0.000 2.158 72 D HA -0.062 4.578 4.640 -0.000 0.000 0.197 72 D C 2.327 178.604 176.300 -0.038 0.000 0.995 72 D CA 1.499 55.440 54.000 -0.099 0.000 0.846 72 D CB -0.902 39.877 40.800 -0.035 0.000 0.941 72 D HN 0.615 nan 8.370 nan 0.000 0.456 73 G N -0.031 108.764 108.800 -0.008 0.000 2.598 73 G HA2 -0.106 3.854 3.960 -0.000 0.000 0.215 73 G HA3 -0.106 3.854 3.960 -0.000 0.000 0.215 73 G C 1.632 176.558 174.900 0.043 0.000 1.131 73 G CA -0.065 45.061 45.100 0.044 0.000 0.785 73 G HN 0.268 nan 8.290 nan 0.000 0.539 74 L N -0.218 121.014 121.223 0.016 0.000 2.395 74 L HA 0.137 4.477 4.340 -0.000 0.000 0.218 74 L C 1.714 178.595 176.870 0.017 0.000 1.130 74 L CA 0.555 55.408 54.840 0.021 0.000 0.826 74 L CB 0.009 42.063 42.059 -0.007 0.000 0.941 74 L HN 0.233 nan 8.230 nan 0.000 0.451 75 T N -2.565 111.999 114.554 0.017 0.000 2.724 75 T HA 0.273 4.623 4.350 -0.000 0.000 0.274 75 T C -0.448 174.305 174.700 0.088 0.000 0.984 75 T CA -0.470 61.670 62.100 0.066 0.000 1.024 75 T CB 1.964 70.863 68.868 0.051 0.000 1.320 75 T HN -0.148 nan 8.240 nan 0.000 0.555 76 S N 1.775 117.567 115.700 0.154 0.000 2.528 76 S HA 0.343 4.813 4.470 -0.000 0.000 0.303 76 S C 0.997 175.654 174.600 0.095 0.000 1.123 76 S CA -0.715 57.528 58.200 0.072 0.000 1.138 76 S CB 0.099 63.294 63.200 -0.009 0.000 0.984 76 S HN 0.571 nan 8.310 nan 0.000 0.474 77 L N 4.354 125.613 121.223 0.060 0.000 2.079 77 L HA -0.047 4.293 4.340 -0.000 0.000 0.210 77 L C 1.777 178.632 176.870 -0.025 0.000 1.081 77 L CA 1.938 56.804 54.840 0.043 0.000 0.752 77 L CB -0.560 41.489 42.059 -0.016 0.000 0.896 77 L HN 0.593 nan 8.230 nan 0.000 0.433 78 D N -1.034 119.326 120.400 -0.068 0.000 2.123 78 D HA -0.230 4.410 4.640 -0.000 0.000 0.196 78 D C 2.323 178.541 176.300 -0.136 0.000 0.992 78 D CA 1.089 55.027 54.000 -0.103 0.000 0.833 78 D CB -0.140 40.610 40.800 -0.083 0.000 0.954 78 D HN 0.280 nan 8.370 nan 0.000 0.455 79 R N -0.843 119.533 120.500 -0.206 0.000 2.096 79 R HA -0.150 4.190 4.340 -0.000 0.000 0.235 79 R C 1.531 177.575 176.300 -0.426 0.000 1.127 79 R CA 1.205 57.067 56.100 -0.396 0.000 0.968 79 R CB 0.004 29.901 30.300 -0.672 0.000 0.861 79 R HN 0.268 nan 8.270 nan 0.000 0.440 80 Y N 0.235 120.517 120.300 -0.030 0.000 2.535 80 Y HA 0.118 4.668 4.550 -0.000 0.000 0.266 80 Y C 0.278 176.173 175.900 -0.008 0.000 1.088 80 Y CA -0.154 57.933 58.100 -0.022 0.000 1.285 80 Y CB 0.131 38.577 38.460 -0.024 0.000 1.166 80 Y HN -0.070 nan 8.280 nan 0.000 0.525 81 K N 1.427 121.892 120.400 0.109 0.000 2.436 81 K HA 0.253 4.573 4.320 -0.000 0.000 0.275 81 K C 0.562 177.198 176.600 0.060 0.000 0.999 81 K CA 0.181 56.541 56.287 0.122 0.000 0.980 81 K CB 0.554 33.060 32.500 0.009 0.000 0.919 81 K HN 0.162 nan 8.250 nan 0.000 0.484 82 G N 2.860 111.732 108.800 0.120 0.000 2.483 82 G HA2 0.185 4.145 3.960 -0.000 0.000 0.248 82 G HA3 0.185 4.145 3.960 -0.000 0.000 0.248 82 G C -0.763 174.113 174.900 -0.040 0.000 1.248 82 G CA -0.819 44.237 45.100 -0.073 0.000 0.838 82 G HN 0.662 nan 8.290 nan 0.000 0.566 83 R N 0.689 121.083 120.500 -0.177 0.000 2.502 83 R HA 0.283 4.623 4.340 -0.000 0.000 0.300 83 R C -1.013 175.309 176.300 0.036 0.000 0.984 83 R CA -0.654 55.385 56.100 -0.103 0.000 0.882 83 R CB 1.838 31.924 30.300 -0.357 0.000 1.180 83 R HN 0.522 nan 8.270 nan 0.000 0.444 84 C N 5.172 124.533 119.300 0.102 0.000 2.442 84 C HA 0.223 4.682 4.460 -0.000 0.000 0.362 84 C C 0.994 176.122 174.990 0.230 0.000 1.242 84 C CA -0.433 58.681 59.018 0.160 0.000 1.741 84 C CB -1.156 26.689 27.740 0.174 0.000 2.378 84 C HN 0.988 nan 8.230 nan 0.000 0.549 85 Y N 2.057 122.452 120.300 0.159 0.000 2.467 85 Y HA 0.539 5.089 4.550 -0.000 0.000 0.250 85 Y C 0.151 176.143 175.900 0.152 0.000 1.155 85 Y CA -0.438 57.736 58.100 0.124 0.000 1.249 85 Y CB 0.028 38.606 38.460 0.197 0.000 1.146 85 Y HN 0.528 nan 8.280 nan 0.000 0.524 86 D N 0.486 120.845 120.400 -0.067 0.000 2.745 86 D HA 0.432 5.072 4.640 -0.000 0.000 0.221 86 D C -1.751 174.655 176.300 0.176 0.000 1.237 86 D CA -0.356 53.662 54.000 0.031 0.000 0.781 86 D CB 1.745 42.444 40.800 -0.168 0.000 1.575 86 D HN 0.186 nan 8.370 nan 0.000 0.482 87 I N 2.492 123.185 120.570 0.206 0.000 2.497 87 I HA 0.272 4.442 4.170 -0.000 0.000 0.284 87 I C -0.407 175.838 176.117 0.213 0.000 1.060 87 I CA -0.565 60.850 61.300 0.193 0.000 1.071 87 I CB 1.885 39.926 38.000 0.069 0.000 1.216 87 I HN 0.157 nan 8.210 nan 0.000 0.442 88 E N 7.504 127.860 120.200 0.260 0.000 2.191 88 E HA 0.410 4.760 4.350 -0.000 0.000 0.278 88 E C -2.438 174.298 176.600 0.227 0.000 0.972 88 E CA -1.875 54.656 56.400 0.218 0.000 0.804 88 E CB 1.306 31.136 29.700 0.215 0.000 1.110 88 E HN 0.227 nan 8.360 nan 0.000 0.394 89 P HA 0.038 nan 4.420 nan 0.000 0.274 89 P C -0.663 176.607 177.300 -0.050 0.000 1.231 89 P CA -0.388 62.711 63.100 -0.002 0.000 0.790 89 P CB 0.610 32.302 31.700 -0.014 0.000 0.951 90 V N 4.246 124.070 119.914 -0.150 0.000 2.432 90 V HA 0.209 4.329 4.120 -0.000 0.000 0.275 90 V C -1.971 174.079 176.094 -0.074 0.000 1.043 90 V CA -1.683 60.570 62.300 -0.078 0.000 0.925 90 V CB 0.537 32.316 31.823 -0.074 0.000 0.985 90 V HN 0.542 nan 8.190 nan 0.000 0.466 91 P HA 0.161 nan 4.420 nan 0.000 0.260 91 P C 0.821 178.102 177.300 -0.032 0.000 1.185 91 P CA 1.162 64.244 63.100 -0.030 0.000 0.763 91 P CB 0.269 31.958 31.700 -0.018 0.000 0.776 92 G N 1.692 110.471 108.800 -0.034 0.000 2.160 92 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.244 92 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.244 92 G C -0.224 174.655 174.900 -0.036 0.000 1.022 92 G CA -0.375 44.708 45.100 -0.028 0.000 0.741 92 G HN 0.537 nan 8.290 nan 0.000 0.508 93 E N -0.349 119.813 120.200 -0.063 0.000 2.275 93 E HA 0.241 4.591 4.350 -0.000 0.000 0.270 93 E C -0.021 176.509 176.600 -0.117 0.000 0.882 93 E CA -0.745 55.607 56.400 -0.079 0.000 0.758 93 E CB 1.307 30.951 29.700 -0.092 0.000 1.195 93 E HN 0.188 nan 8.360 nan 0.000 0.419 94 D N 0.890 121.239 120.400 -0.084 0.000 2.249 94 D HA -0.074 4.565 4.640 -0.000 0.000 0.205 94 D C 0.640 176.877 176.300 -0.106 0.000 0.962 94 D CA 0.783 54.737 54.000 -0.076 0.000 0.860 94 D CB 0.472 41.256 40.800 -0.026 0.000 0.955 94 D HN 0.201 nan 8.370 nan 0.000 0.505 95 N N 0.212 118.843 118.700 -0.115 0.000 2.377 95 N HA 0.043 4.783 4.740 -0.000 0.000 0.259 95 N C -1.043 174.403 175.510 -0.106 0.000 1.332 95 N CA -0.008 53.010 53.050 -0.053 0.000 0.877 95 N CB 0.642 39.152 38.487 0.039 0.000 1.299 95 N HN -0.031 nan 8.380 nan 0.000 0.501 96 Q N 0.281 119.868 119.800 -0.354 0.000 2.353 96 Q HA 0.391 4.731 4.340 -0.000 0.000 0.268 96 Q C -1.456 174.216 176.000 -0.546 0.000 1.045 96 Q CA -0.672 54.978 55.803 -0.256 0.000 0.811 96 Q CB 1.888 30.552 28.738 -0.123 0.000 1.305 96 Q HN 0.215 nan 8.270 nan 0.000 0.447 97 Y N 1.017 121.314 120.300 -0.005 0.000 2.545 97 Y HA 0.453 5.003 4.550 -0.000 0.000 0.348 97 Y C -0.308 175.581 175.900 -0.019 0.000 1.002 97 Y CA -1.139 56.958 58.100 -0.006 0.000 1.039 97 Y CB 1.396 39.844 38.460 -0.021 0.000 1.271 97 Y HN 0.411 nan 8.280 nan 0.000 0.467 98 I N 2.582 123.234 120.570 0.137 0.000 2.307 98 I HA 0.471 4.641 4.170 -0.000 0.000 0.289 98 I C 0.030 176.123 176.117 -0.039 0.000 1.021 98 I CA -0.779 60.511 61.300 -0.016 0.000 1.224 98 I CB 0.468 38.449 38.000 -0.031 0.000 1.376 98 I HN 0.702 nan 8.210 nan 0.000 0.470 99 A N 7.388 130.152 122.820 -0.094 0.000 2.276 99 A HA 0.647 4.967 4.320 -0.000 0.000 0.316 99 A C -1.206 176.278 177.584 -0.167 0.000 1.229 99 A CA -0.363 51.646 52.037 -0.047 0.000 0.851 99 A CB 0.335 19.318 19.000 -0.029 0.000 1.165 99 A HN 0.528 nan 8.150 nan 0.000 0.513 100 Y N 1.506 121.746 120.300 -0.101 0.000 2.328 100 Y HA 0.492 5.042 4.550 -0.000 0.000 0.337 100 Y C 0.097 175.872 175.900 -0.208 0.000 1.008 100 Y CA -0.392 57.589 58.100 -0.198 0.000 1.129 100 Y CB 1.837 39.936 38.460 -0.602 0.000 1.185 100 Y HN 0.386 nan 8.280 nan 0.000 0.476 101 V N 2.979 123.032 119.914 0.233 0.000 2.588 101 V HA 0.789 4.908 4.120 -0.000 0.000 0.304 101 V C -0.398 175.809 176.094 0.189 0.000 1.042 101 V CA -1.093 61.300 62.300 0.154 0.000 0.877 101 V CB 1.629 33.468 31.823 0.027 0.000 0.996 101 V HN 0.852 nan 8.190 nan 0.000 0.425 102 A N 4.290 127.182 122.820 0.120 0.000 2.304 102 A HA 0.891 5.211 4.320 -0.000 0.000 0.323 102 A C -1.269 176.180 177.584 -0.225 0.000 1.195 102 A CA -0.322 51.740 52.037 0.042 0.000 0.826 102 A CB 0.583 19.619 19.000 0.060 0.000 1.184 102 A HN 0.728 nan 8.150 nan 0.000 0.496 106 D N 1.588 122.084 120.400 0.159 0.000 2.351 106 D HA -0.014 4.626 4.640 -0.000 0.000 0.216 106 D C 1.964 178.310 176.300 0.077 0.000 0.968 106 D CA 1.202 55.298 54.000 0.160 0.000 0.899 106 D CB 0.072 41.026 40.800 0.256 0.000 0.907 106 D HN 0.438 nan 8.370 nan 0.000 0.514 107 L N -0.917 120.262 121.223 -0.074 0.000 2.492 107 L HA 0.060 4.400 4.340 -0.000 0.000 0.223 107 L C 0.140 176.679 176.870 -0.552 0.000 1.132 107 L CA 0.262 54.860 54.840 -0.403 0.000 0.850 107 L CB -0.014 41.610 42.059 -0.725 0.000 0.966 107 L HN -0.119 nan 8.230 nan 0.000 0.454 108 F N -0.349 119.572 119.950 -0.048 0.000 2.480 108 F HA 0.309 4.836 4.527 -0.000 0.000 0.329 108 F C 0.624 176.465 175.800 0.069 0.000 1.091 108 F CA -1.091 56.878 58.000 -0.052 0.000 0.972 108 F CB 1.158 39.973 39.000 -0.308 0.000 1.150 108 F HN -0.192 nan 8.300 nan 0.000 0.467 109 E N 1.694 122.070 120.200 0.293 0.000 2.316 109 E HA 0.133 4.482 4.350 -0.000 0.000 0.275 109 E C -0.826 175.918 176.600 0.241 0.000 1.029 109 E CA -0.558 55.962 56.400 0.200 0.000 0.871 109 E CB 0.610 30.379 29.700 0.116 0.000 1.022 109 E HN 0.517 nan 8.360 nan 0.000 0.418 110 E N 2.293 122.560 120.200 0.112 0.000 2.415 110 E HA 0.198 4.548 4.350 -0.000 0.000 0.263 110 E C 0.834 177.188 176.600 -0.409 0.000 0.995 110 E CA 1.179 57.530 56.400 -0.082 0.000 0.915 110 E CB 0.661 30.318 29.700 -0.071 0.000 0.951 110 E HN 0.806 nan 8.360 nan 0.000 0.449 111 G N 2.559 110.674 108.800 -1.142 0.000 2.168 111 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.263 111 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.263 111 G C 0.334 174.784 174.900 -0.749 0.000 0.977 111 G CA 0.477 44.688 45.100 -1.482 0.000 0.659 111 G HN 0.535 nan 8.290 nan 0.000 0.533 112 S N -0.369 115.154 115.700 -0.295 0.000 2.577 112 S HA 0.532 5.002 4.470 -0.000 0.000 0.294 112 S C 1.539 176.316 174.600 0.294 0.000 1.161 112 S CA 0.109 58.367 58.200 0.098 0.000 1.143 112 S CB 1.201 64.453 63.200 0.086 0.000 0.991 112 S HN 0.566 nan 8.310 nan 0.000 0.475 113 V N 4.800 124.862 119.914 0.247 0.000 2.407 113 V HA -0.138 3.982 4.120 -0.000 0.000 0.248 113 V C 2.603 178.574 176.094 -0.206 0.000 1.055 113 V CA 2.446 64.681 62.300 -0.108 0.000 1.049 113 V CB -1.071 30.414 31.823 -0.563 0.000 0.662 113 V HN 0.827 nan 8.190 nan 0.000 0.455 114 T N 0.100 114.601 114.554 -0.088 0.000 2.665 114 T HA -0.279 4.071 4.350 -0.000 0.000 0.268 114 T C 1.922 176.696 174.700 0.123 0.000 1.035 114 T CA 2.072 64.186 62.100 0.024 0.000 1.151 114 T CB -0.511 68.418 68.868 0.101 0.000 0.862 114 T HN 0.608 nan 8.240 nan 0.000 0.438 115 N N 0.355 119.150 118.700 0.158 0.000 2.142 115 N HA -0.079 4.661 4.740 -0.000 0.000 0.186 115 N C 2.134 177.813 175.510 0.283 0.000 1.023 115 N CA 1.107 54.275 53.050 0.197 0.000 0.852 115 N CB -0.220 38.389 38.487 0.202 0.000 0.998 115 N HN 0.390 nan 8.380 nan 0.000 0.424 116 M N -0.192 119.618 119.600 0.351 0.000 2.080 116 M HA -0.188 4.292 4.480 -0.000 0.000 0.260 116 M C 1.580 178.070 176.300 0.317 0.000 1.068 116 M CA 1.614 57.131 55.300 0.360 0.000 1.109 116 M CB -0.179 32.551 32.600 0.218 0.000 1.342 116 M HN 0.058 nan 8.290 nan 0.000 0.405 117 F N 0.413 120.364 119.950 0.000 0.000 2.171 117 F HA -0.170 4.357 4.527 -0.000 0.000 0.300 117 F C 2.548 178.376 175.800 0.047 0.000 1.090 117 F CA 1.731 59.731 58.000 -0.001 0.000 1.293 117 F CB -1.336 37.647 39.000 -0.029 0.000 1.013 117 F HN 0.185 nan 8.300 nan 0.000 0.486 118 T N -1.201 113.503 114.554 0.250 0.000 2.720 118 T HA -0.193 4.157 4.350 -0.000 0.000 0.268 118 T C 2.375 177.137 174.700 0.104 0.000 1.037 118 T CA 1.785 63.979 62.100 0.156 0.000 1.144 118 T CB -0.450 68.496 68.868 0.129 0.000 0.864 118 T HN 0.155 nan 8.240 nan 0.000 0.444 119 S N 0.527 116.279 115.700 0.087 0.000 2.335 119 S HA 0.116 4.586 4.470 -0.000 0.000 0.217 119 S C 2.038 176.645 174.600 0.012 0.000 1.032 119 S CA 0.747 58.952 58.200 0.009 0.000 0.985 119 S CB -0.259 62.886 63.200 -0.092 0.000 0.896 119 S HN 0.390 nan 8.310 nan 0.000 0.445 120 I N 1.345 121.914 120.570 -0.003 0.000 2.500 120 I HA -0.039 4.131 4.170 -0.000 0.000 0.252 120 I C 1.465 177.701 176.117 0.197 0.000 1.142 120 I CA 0.845 62.158 61.300 0.022 0.000 1.451 120 I CB 0.061 37.992 38.000 -0.114 0.000 1.093 120 I HN 0.241 nan 8.210 nan 0.000 0.430 121 V N -2.976 116.995 119.914 0.096 0.000 3.159 121 V HA 0.479 4.599 4.120 -0.000 0.000 0.333 121 V C 1.517 177.692 176.094 0.135 0.000 1.424 121 V CA 0.242 62.639 62.300 0.161 0.000 1.125 121 V CB -0.378 31.330 31.823 -0.191 0.000 1.075 121 V HN 0.212 nan 8.190 nan 0.000 0.482 122 G N 1.720 110.604 108.800 0.140 0.000 2.434 122 G HA2 -0.134 3.826 3.960 -0.000 0.000 0.214 122 G HA3 -0.134 3.826 3.960 -0.000 0.000 0.214 122 G C 1.206 176.197 174.900 0.152 0.000 1.202 122 G CA 1.286 46.460 45.100 0.124 0.000 0.788 122 G HN 0.538 nan 8.290 nan 0.000 0.539 123 N N -0.436 118.370 118.700 0.177 0.000 2.382 123 N HA 0.004 4.744 4.740 -0.000 0.000 0.200 123 N C 2.312 177.992 175.510 0.284 0.000 1.122 123 N CA 0.902 54.078 53.050 0.210 0.000 0.870 123 N CB 0.366 38.973 38.487 0.200 0.000 1.176 123 N HN 0.267 nan 8.380 nan 0.000 0.474 124 V N -1.051 118.978 119.914 0.192 0.000 2.594 124 V HA -0.072 4.048 4.120 -0.000 0.000 0.253 124 V C 1.649 177.766 176.094 0.038 0.000 1.069 124 V CA 1.302 63.592 62.300 -0.017 0.000 1.082 124 V CB -1.208 30.396 31.823 -0.364 0.000 0.680 124 V HN -0.064 nan 8.190 nan 0.000 0.469 125 F N 2.411 122.396 119.950 0.057 0.000 2.546 125 F HA 0.288 4.815 4.527 -0.000 0.000 0.298 125 F C 2.256 178.166 175.800 0.183 0.000 1.120 125 F CA 1.103 59.163 58.000 0.101 0.000 1.456 125 F CB -0.626 38.422 39.000 0.079 0.000 1.088 125 F HN 0.353 nan 8.300 nan 0.000 0.572 126 G N -1.838 107.157 108.800 0.325 0.000 3.159 126 G HA2 0.045 4.005 3.960 -0.000 0.000 0.232 126 G HA3 0.045 4.005 3.960 -0.000 0.000 0.232 126 G C 0.134 175.126 174.900 0.153 0.000 1.116 126 G CA -0.229 45.000 45.100 0.214 0.000 0.767 126 G HN 0.007 nan 8.290 nan 0.000 0.547 127 F N 1.586 121.539 119.950 0.005 0.000 2.608 127 F HA 0.144 4.671 4.527 -0.000 0.000 0.380 127 F C 1.793 177.582 175.800 -0.018 0.000 1.083 127 F CA 0.352 58.337 58.000 -0.026 0.000 1.266 127 F CB 1.000 39.952 39.000 -0.080 0.000 1.076 127 F HN -0.045 nan 8.300 nan 0.000 0.574 128 K N 2.821 123.194 120.400 -0.045 0.000 2.147 128 K HA -0.164 4.156 4.320 -0.000 0.000 0.205 128 K C 1.990 178.620 176.600 0.051 0.000 1.049 128 K CA 1.271 57.548 56.287 -0.016 0.000 0.936 128 K CB -0.126 32.329 32.500 -0.076 0.000 0.722 128 K HN 0.730 nan 8.250 nan 0.000 0.446 129 A N 0.952 123.846 122.820 0.124 0.000 2.168 129 A HA 0.003 4.322 4.320 -0.000 0.000 0.215 129 A C 0.649 178.276 177.584 0.071 0.000 1.152 129 A CA 0.612 52.716 52.037 0.113 0.000 0.716 129 A CB -0.439 18.665 19.000 0.173 0.000 0.794 129 A HN 0.216 nan 8.150 nan 0.000 0.465 130 L N -5.298 115.972 121.223 0.077 0.000 2.333 130 L HA 0.662 5.002 4.340 -0.000 0.000 0.269 130 L C 0.592 177.494 176.870 0.052 0.000 1.010 130 L CA -0.773 54.089 54.840 0.035 0.000 0.818 130 L CB 1.339 43.384 42.059 -0.023 0.000 1.306 130 L HN -0.010 nan 8.230 nan 0.000 0.430 131 R N 1.217 121.747 120.500 0.050 0.000 2.237 131 R HA 0.686 5.026 4.340 -0.000 0.000 0.195 131 R C -0.018 176.332 176.300 0.084 0.000 0.956 131 R CA 0.609 56.740 56.100 0.052 0.000 1.029 131 R CB 0.465 30.791 30.300 0.043 0.000 0.972 131 R HN 0.840 nan 8.270 nan 0.000 0.493 132 A N 0.771 123.664 122.820 0.122 0.000 2.597 132 A HA 0.607 4.927 4.320 -0.000 0.000 0.292 132 A C -2.129 175.549 177.584 0.157 0.000 1.057 132 A CA -0.635 51.560 52.037 0.263 0.000 0.674 132 A CB 1.630 20.758 19.000 0.213 0.000 1.278 132 A HN 0.032 nan 8.150 nan 0.000 0.416 133 L N 0.509 121.818 121.223 0.144 0.000 2.549 133 L HA 0.783 5.123 4.340 -0.000 0.000 0.259 133 L C -0.845 175.959 176.870 -0.109 0.000 0.934 133 L CA -0.104 54.627 54.840 -0.182 0.000 0.865 133 L CB 1.983 43.643 42.059 -0.664 0.000 1.352 133 L HN 0.835 nan 8.230 nan 0.000 0.410 134 R N 3.877 124.399 120.500 0.037 0.000 2.538 134 R HA 0.522 4.862 4.340 -0.000 0.000 0.292 134 R C -1.840 174.549 176.300 0.149 0.000 1.008 134 R CA -0.884 55.313 56.100 0.162 0.000 0.896 134 R CB 1.821 32.181 30.300 0.100 0.000 1.187 134 R HN 0.678 nan 8.270 nan 0.000 0.440 135 L N 4.575 125.918 121.223 0.200 0.000 2.315 135 L HA 0.218 4.558 4.340 -0.000 0.000 0.283 135 L C 0.879 177.652 176.870 -0.161 0.000 1.089 135 L CA 0.610 55.372 54.840 -0.130 0.000 0.833 135 L CB 0.945 42.920 42.059 -0.139 0.000 1.170 135 L HN 0.664 nan 8.230 nan 0.000 0.442 136 E N 2.292 122.293 120.200 -0.332 0.000 2.166 136 E HA 0.094 4.444 4.350 -0.000 0.000 0.192 136 E C -0.259 176.133 176.600 -0.347 0.000 0.967 136 E CA 0.506 56.680 56.400 -0.377 0.000 0.840 136 E CB 0.440 29.655 29.700 -0.807 0.000 0.795 136 E HN 0.683 nan 8.360 nan 0.000 0.470 137 D N -1.001 119.191 120.400 -0.346 0.000 2.623 137 D HA 0.395 5.035 4.640 -0.000 0.000 0.241 137 D C -1.453 174.896 176.300 0.082 0.000 1.241 137 D CA -0.451 53.508 54.000 -0.068 0.000 0.788 137 D CB 1.540 42.347 40.800 0.013 0.000 1.413 137 D HN -0.153 nan 8.370 nan 0.000 0.429 138 L N 1.380 122.666 121.223 0.105 0.000 2.381 138 L HA 0.524 4.863 4.340 -0.000 0.000 0.268 138 L C -0.110 176.665 176.870 -0.159 0.000 0.997 138 L CA -0.939 53.872 54.840 -0.048 0.000 0.818 138 L CB 2.212 44.197 42.059 -0.124 0.000 1.310 138 L HN 0.168 nan 8.230 nan 0.000 0.416 139 R N 4.126 124.288 120.500 -0.563 0.000 2.204 139 R HA 0.369 4.709 4.340 -0.000 0.000 0.341 139 R C -0.906 175.175 176.300 -0.366 0.000 1.035 139 R CA -0.658 55.127 56.100 -0.525 0.000 0.887 139 R CB 0.447 30.247 30.300 -0.833 0.000 1.114 139 R HN 0.428 nan 8.270 nan 0.000 0.473 140 I N 7.636 128.004 120.570 -0.337 0.000 2.322 140 I HA 0.259 4.429 4.170 -0.000 0.000 0.292 140 I C -1.924 174.044 176.117 -0.248 0.000 1.060 140 I CA -2.705 58.432 61.300 -0.272 0.000 1.309 140 I CB 0.890 38.702 38.000 -0.314 0.000 1.415 140 I HN 0.250 nan 8.210 nan 0.000 0.492 141 P HA 0.251 nan 4.420 nan 0.000 0.274 141 P C -2.283 174.999 177.300 -0.030 0.000 1.231 141 P CA -1.580 61.468 63.100 -0.086 0.000 0.790 141 P CB 0.507 32.185 31.700 -0.038 0.000 0.951 142 P HA -0.183 nan 4.420 nan 0.000 0.217 142 P C 1.450 178.790 177.300 0.067 0.000 1.148 142 P CA 2.019 65.131 63.100 0.020 0.000 0.828 142 P CB -0.439 31.279 31.700 0.031 0.000 0.783 143 A N -1.974 120.893 122.820 0.078 0.000 1.969 143 A HA -0.211 4.109 4.320 -0.000 0.000 0.218 143 A C 2.205 179.899 177.584 0.183 0.000 1.169 143 A CA 1.234 53.334 52.037 0.106 0.000 0.635 143 A CB -1.640 17.414 19.000 0.090 0.000 0.810 143 A HN 0.133 nan 8.150 nan 0.000 0.445 144 Y N 0.182 120.510 120.300 0.047 0.000 2.243 144 Y HA -0.052 4.498 4.550 -0.000 0.000 0.293 144 Y C 2.406 178.442 175.900 0.228 0.000 1.124 144 Y CA 1.131 59.294 58.100 0.106 0.000 1.159 144 Y CB -0.362 38.122 38.460 0.040 0.000 1.008 144 Y HN 0.055 nan 8.280 nan 0.000 0.527 145 V N 0.758 120.754 119.914 0.137 0.000 2.324 145 V HA -0.339 3.781 4.120 -0.000 0.000 0.250 145 V C 2.302 178.504 176.094 0.180 0.000 1.060 145 V CA 2.121 64.488 62.300 0.111 0.000 1.042 145 V CB -0.541 31.329 31.823 0.079 0.000 0.650 145 V HN 0.256 nan 8.190 nan 0.000 0.450 146 K N 0.521 120.992 120.400 0.118 0.000 2.360 146 K HA -0.101 4.219 4.320 -0.000 0.000 0.201 146 K C 2.081 178.703 176.600 0.036 0.000 1.046 146 K CA 1.598 57.935 56.287 0.083 0.000 0.945 146 K CB -0.813 31.725 32.500 0.063 0.000 0.750 146 K HN 0.768 nan 8.250 nan 0.000 0.464 147 T N -2.042 112.500 114.554 -0.020 0.000 3.148 147 T HA 0.073 4.423 4.350 -0.000 0.000 0.253 147 T C 0.504 174.978 174.700 -0.378 0.000 1.134 147 T CA -0.104 61.871 62.100 -0.208 0.000 1.051 147 T CB -0.265 68.407 68.868 -0.325 0.000 0.959 147 T HN -0.162 nan 8.240 nan 0.000 0.525 148 F N 0.317 120.174 119.950 -0.155 0.000 2.422 148 F HA 0.528 5.055 4.527 -0.000 0.000 0.333 148 F C 1.324 177.074 175.800 -0.083 0.000 1.095 148 F CA -1.315 56.604 58.000 -0.134 0.000 1.038 148 F CB 1.658 40.566 39.000 -0.153 0.000 1.156 148 F HN -0.266 nan 8.300 nan 0.000 0.483 149 V N 2.283 122.237 119.914 0.066 0.000 2.407 149 V HA -0.006 4.114 4.120 -0.000 0.000 0.248 149 V C 1.365 177.476 176.094 0.029 0.000 1.055 149 V CA 1.544 63.857 62.300 0.022 0.000 1.049 149 V CB -1.323 30.493 31.823 -0.013 0.000 0.662 149 V HN 1.151 nan 8.190 nan 0.000 0.455 153 H N -0.738 118.307 119.070 -0.042 0.000 1.955 153 H HA 0.488 5.044 4.556 -0.000 0.000 0.196 153 H C 1.019 176.336 175.328 -0.019 0.000 0.891 153 H CA 1.231 57.264 56.048 -0.024 0.000 1.001 153 H CB 0.470 30.221 29.762 -0.018 0.000 1.195 153 H HN 0.279 nan 8.280 nan 0.000 0.384 154 G N 1.293 110.150 108.800 0.095 0.000 2.746 154 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.685 154 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.685 154 G C 0.905 175.846 174.900 0.069 0.000 1.350 154 G CA -0.073 45.050 45.100 0.039 0.000 0.837 154 G HN 0.209 nan 8.290 nan 0.000 0.564 155 I N 0.257 120.854 120.570 0.044 0.000 2.091 155 I HA -0.347 3.823 4.170 -0.000 0.000 0.240 155 I C 2.982 179.146 176.117 0.077 0.000 1.046 155 I CA 2.661 63.996 61.300 0.058 0.000 1.306 155 I CB -0.470 37.551 38.000 0.036 0.000 1.018 155 I HN 0.678 nan 8.210 nan 0.000 0.404 156 Q N 0.369 120.215 119.800 0.076 0.000 1.993 156 Q HA -0.142 4.198 4.340 -0.000 0.000 0.202 156 Q C 2.320 178.383 176.000 0.105 0.000 0.984 156 Q CA 1.675 57.536 55.803 0.098 0.000 0.837 156 Q CB -0.633 28.155 28.738 0.083 0.000 0.902 156 Q HN 0.348 nan 8.270 nan 0.000 0.423 157 V N 1.114 121.085 119.914 0.094 0.000 2.324 157 V HA -0.325 3.795 4.120 -0.000 0.000 0.250 157 V C 2.227 178.356 176.094 0.059 0.000 1.060 157 V CA 2.239 64.594 62.300 0.091 0.000 1.042 157 V CB -0.637 31.261 31.823 0.126 0.000 0.650 157 V HN 0.467 nan 8.190 nan 0.000 0.450 158 E N 0.132 120.373 120.200 0.068 0.000 2.051 158 E HA -0.245 4.105 4.350 -0.000 0.000 0.192 158 E C 2.494 179.111 176.600 0.028 0.000 0.991 158 E CA 1.332 57.761 56.400 0.049 0.000 0.799 158 E CB -0.081 29.686 29.700 0.111 0.000 0.748 158 E HN 0.528 nan 8.360 nan 0.000 0.449 159 R N 0.384 120.899 120.500 0.024 0.000 2.091 159 R HA -0.146 4.194 4.340 -0.000 0.000 0.238 159 R C 2.031 178.225 176.300 -0.176 0.000 1.136 159 R CA 1.651 57.690 56.100 -0.102 0.000 0.959 159 R CB -0.188 30.105 30.300 -0.013 0.000 0.856 159 R HN 0.272 nan 8.270 nan 0.000 0.437 160 D N 0.382 120.808 120.400 0.042 0.000 2.144 160 D HA -0.120 4.520 4.640 -0.000 0.000 0.200 160 D C 1.697 178.014 176.300 0.029 0.000 0.978 160 D CA 1.208 55.277 54.000 0.115 0.000 0.833 160 D CB -0.028 40.862 40.800 0.150 0.000 0.961 160 D HN 0.204 nan 8.370 nan 0.000 0.470 161 K N 0.105 120.501 120.400 -0.006 0.000 2.057 161 K HA 0.003 4.323 4.320 -0.000 0.000 0.206 161 K C 2.120 178.706 176.600 -0.024 0.000 1.050 161 K CA 0.622 56.896 56.287 -0.022 0.000 0.935 161 K CB -0.023 32.438 32.500 -0.066 0.000 0.715 161 K HN 0.160 nan 8.250 nan 0.000 0.439 162 L N 0.257 121.452 121.223 -0.047 0.000 2.492 162 L HA 0.023 4.362 4.340 -0.000 0.000 0.223 162 L C 0.601 177.396 176.870 -0.126 0.000 1.132 162 L CA 0.055 54.863 54.840 -0.054 0.000 0.850 162 L CB -0.439 41.606 42.059 -0.022 0.000 0.966 162 L HN 0.386 nan 8.230 nan 0.000 0.454 163 N N 1.277 119.852 118.700 -0.208 0.000 2.783 163 N HA -0.175 4.565 4.740 -0.000 0.000 0.247 163 N C -0.466 174.782 175.510 -0.436 0.000 1.089 163 N CA 0.371 53.272 53.050 -0.249 0.000 0.690 163 N CB -0.392 38.070 38.487 -0.041 0.000 0.991 163 N HN 0.370 nan 8.380 nan 0.000 0.552 164 K N 1.532 121.494 120.400 -0.731 0.000 2.450 164 K HA 0.374 4.694 4.320 -0.000 0.000 0.257 164 K C -1.480 174.742 176.600 -0.630 0.000 0.953 164 K CA -0.338 55.653 56.287 -0.493 0.000 0.844 164 K CB 0.988 33.330 32.500 -0.263 0.000 1.103 164 K HN 0.106 nan 8.250 nan 0.000 0.429 165 Y N -0.496 119.810 120.300 0.010 0.000 2.553 165 Y HA 0.427 4.977 4.550 -0.000 0.000 0.347 165 Y C 1.046 176.952 175.900 0.010 0.000 1.019 165 Y CA -0.781 57.327 58.100 0.014 0.000 1.032 165 Y CB 2.494 40.962 38.460 0.014 0.000 1.284 165 Y HN 0.760 nan 8.280 nan 0.000 0.466 166 G N 1.498 110.412 108.800 0.190 0.000 2.157 166 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.248 166 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.248 166 G C -0.194 174.748 174.900 0.071 0.000 0.979 166 G CA 0.255 45.420 45.100 0.110 0.000 0.650 166 G HN 0.882 nan 8.290 nan 0.000 0.529 167 R N -1.338 119.199 120.500 0.063 0.000 2.716 167 R HA 0.655 4.995 4.340 -0.000 0.000 0.271 167 R C 0.405 176.729 176.300 0.039 0.000 1.028 167 R CA -0.545 55.581 56.100 0.045 0.000 0.883 167 R CB 0.206 30.524 30.300 0.030 0.000 1.250 167 R HN 0.927 nan 8.270 nan 0.000 0.465 168 G N 1.285 110.110 108.800 0.042 0.000 2.554 168 G HA2 0.328 4.288 3.960 -0.000 0.000 0.238 168 G HA3 0.328 4.288 3.960 -0.000 0.000 0.238 168 G C -0.133 174.781 174.900 0.022 0.000 1.259 168 G CA -0.817 44.302 45.100 0.032 0.000 0.843 168 G HN 0.370 nan 8.290 nan 0.000 0.582 169 L N 0.232 121.467 121.223 0.020 0.000 2.418 169 L HA 0.411 4.751 4.340 -0.000 0.000 0.265 169 L C 0.217 177.125 176.870 0.064 0.000 1.143 169 L CA -0.492 54.366 54.840 0.030 0.000 0.809 169 L CB 1.092 43.224 42.059 0.121 0.000 1.124 169 L HN 0.219 nan 8.230 nan 0.000 0.456 170 L N 1.456 122.705 121.223 0.045 0.000 2.333 170 L HA 0.660 5.000 4.340 -0.000 0.000 0.280 170 L C 0.195 177.138 176.870 0.122 0.000 1.004 170 L CA -0.242 54.660 54.840 0.104 0.000 0.820 170 L CB 1.781 43.878 42.059 0.064 0.000 1.247 170 L HN 0.726 nan 8.230 nan 0.000 0.416 171 G N 1.185 110.087 108.800 0.171 0.000 3.015 171 G HA2 0.656 4.615 3.960 -0.000 0.000 0.281 171 G HA3 0.656 4.615 3.960 -0.000 0.000 0.281 171 G C -1.797 173.158 174.900 0.092 0.000 1.386 171 G CA -0.522 44.652 45.100 0.123 0.000 0.959 171 G HN 0.691 nan 8.290 nan 0.000 0.522 172 C N -0.240 119.057 119.300 -0.005 0.000 3.234 172 C HA 0.600 5.060 4.460 -0.000 0.000 0.439 172 C C -0.374 174.587 174.990 -0.048 0.000 0.946 172 C CA -0.517 58.511 59.018 0.016 0.000 1.193 172 C CB 0.438 28.209 27.740 0.052 0.000 1.579 172 C HN 0.871 nan 8.230 nan 0.000 0.614 173 T N 7.162 121.709 114.554 -0.011 0.000 2.794 173 T HA 0.395 4.745 4.350 -0.000 0.000 0.296 173 T C 0.632 175.330 174.700 -0.003 0.000 0.949 173 T CA -0.258 61.841 62.100 -0.001 0.000 1.101 173 T CB 0.325 69.224 68.868 0.051 0.000 0.905 173 T HN 0.597 nan 8.240 nan 0.000 0.516 174 I N 4.003 124.552 120.570 -0.035 0.000 2.710 174 I HA 0.158 4.328 4.170 -0.000 0.000 0.286 174 I C 0.716 176.814 176.117 -0.032 0.000 1.181 174 I CA 0.290 61.511 61.300 -0.132 0.000 1.430 174 I CB -0.215 37.468 38.000 -0.529 0.000 1.367 174 I HN 0.465 nan 8.210 nan 0.000 0.577 175 K N 6.322 126.703 120.400 -0.032 0.000 2.443 175 K HA 0.565 4.885 4.320 -0.000 0.000 0.251 175 K C -2.436 174.170 176.600 0.009 0.000 0.972 175 K CA -1.645 54.654 56.287 0.020 0.000 0.833 175 K CB 1.443 33.966 32.500 0.038 0.000 1.317 175 K HN 0.263 nan 8.250 nan 0.000 0.441 176 P HA 0.084 nan 4.420 nan 0.000 0.270 176 P C 0.273 177.601 177.300 0.048 0.000 1.227 176 P CA -0.059 63.055 63.100 0.022 0.000 0.788 176 P CB 0.731 32.425 31.700 -0.010 0.000 0.926 177 K N 0.051 120.477 120.400 0.043 0.000 2.044 177 K HA -0.064 4.256 4.320 -0.000 0.000 0.210 177 K C 0.772 177.425 176.600 0.089 0.000 1.049 177 K CA 1.202 57.534 56.287 0.075 0.000 0.927 177 K CB -0.271 32.258 32.500 0.050 0.000 0.713 177 K HN 0.371 nan 8.250 nan 0.000 0.443 178 L N -1.927 119.277 121.223 -0.032 0.000 2.350 178 L HA 0.430 4.770 4.340 -0.000 0.000 0.260 178 L C 0.677 177.212 176.870 -0.558 0.000 1.015 178 L CA -0.394 54.303 54.840 -0.239 0.000 0.821 178 L CB 2.279 44.239 42.059 -0.166 0.000 1.370 178 L HN 0.454 nan 8.230 nan 0.000 0.416 179 G N 1.209 109.198 108.800 -1.352 0.000 2.253 179 G HA2 -0.173 3.786 3.960 -0.000 0.000 0.209 179 G HA3 -0.173 3.786 3.960 -0.000 0.000 0.209 179 G C -0.188 174.503 174.900 -0.348 0.000 0.997 179 G CA -0.571 43.998 45.100 -0.886 0.000 0.640 179 G HN 0.314 nan 8.290 nan 0.000 0.496 180 L N 2.377 123.546 121.223 -0.090 0.000 2.375 180 L HA 0.576 4.915 4.340 -0.000 0.000 0.271 180 L C 1.496 178.547 176.870 0.301 0.000 1.107 180 L CA -0.060 54.872 54.840 0.154 0.000 0.806 180 L CB 1.464 43.689 42.059 0.278 0.000 1.146 180 L HN 0.458 nan 8.230 nan 0.000 0.447 181 S N 1.475 117.312 115.700 0.227 0.000 2.624 181 S HA 0.307 4.777 4.470 -0.000 0.000 0.263 181 S C 1.054 175.783 174.600 0.215 0.000 1.287 181 S CA -0.132 58.198 58.200 0.216 0.000 0.990 181 S CB 1.541 64.817 63.200 0.126 0.000 0.950 181 S HN 0.702 nan 8.310 nan 0.000 0.561 182 A N 1.390 124.325 122.820 0.191 0.000 1.908 182 A HA -0.117 4.203 4.320 -0.000 0.000 0.218 182 A C 2.102 179.754 177.584 0.113 0.000 1.181 182 A CA 2.124 54.311 52.037 0.251 0.000 0.627 182 A CB -1.071 18.155 19.000 0.377 0.000 0.818 182 A HN 0.924 nan 8.150 nan 0.000 0.445 183 K N 0.162 120.437 120.400 -0.210 0.000 2.097 183 K HA -0.085 4.235 4.320 -0.000 0.000 0.205 183 K C 1.607 178.049 176.600 -0.264 0.000 1.050 183 K CA 1.761 57.625 56.287 -0.704 0.000 0.938 183 K CB -0.261 31.855 32.500 -0.640 0.000 0.718 183 K HN 0.418 nan 8.250 nan 0.000 0.442 184 N N -0.500 118.165 118.700 -0.059 0.000 2.270 184 N HA -0.122 4.618 4.740 -0.000 0.000 0.181 184 N C 1.452 177.001 175.510 0.064 0.000 1.016 184 N CA 0.852 53.907 53.050 0.007 0.000 0.870 184 N CB -0.290 38.222 38.487 0.041 0.000 0.979 184 N HN 0.223 nan 8.380 nan 0.000 0.431 185 Y N 1.403 121.708 120.300 0.009 0.000 2.128 185 Y HA -0.150 4.400 4.550 -0.000 0.000 0.284 185 Y C 2.448 178.357 175.900 0.015 0.000 1.154 185 Y CA 1.920 60.047 58.100 0.045 0.000 1.149 185 Y CB -0.627 37.890 38.460 0.096 0.000 0.976 185 Y HN 0.069 nan 8.280 nan 0.000 0.505 186 G N -0.780 108.111 108.800 0.152 0.000 2.408 186 G HA2 -0.263 3.696 3.960 -0.000 0.000 0.217 186 G HA3 -0.263 3.696 3.960 -0.000 0.000 0.217 186 G C 1.741 176.676 174.900 0.059 0.000 1.150 186 G CA 0.759 45.914 45.100 0.092 0.000 0.776 186 G HN 0.337 nan 8.290 nan 0.000 0.542 187 R N 0.607 121.116 120.500 0.015 0.000 2.080 187 R HA -0.021 4.319 4.340 -0.000 0.000 0.236 187 R C 2.827 179.163 176.300 0.060 0.000 1.137 187 R CA 1.702 57.833 56.100 0.052 0.000 0.943 187 R CB -0.500 29.801 30.300 0.002 0.000 0.846 187 R HN 0.245 nan 8.270 nan 0.000 0.431 188 A N 0.372 123.185 122.820 -0.010 0.000 1.908 188 A HA -0.125 4.195 4.320 -0.000 0.000 0.218 188 A C 2.322 179.878 177.584 -0.047 0.000 1.181 188 A CA 1.765 53.771 52.037 -0.053 0.000 0.627 188 A CB -0.648 18.273 19.000 -0.132 0.000 0.818 188 A HN 0.265 nan 8.150 nan 0.000 0.445 189 V N -1.220 118.674 119.914 -0.033 0.000 2.343 189 V HA -0.274 3.846 4.120 -0.000 0.000 0.247 189 V C 2.385 178.511 176.094 0.053 0.000 1.051 189 V CA 2.147 64.452 62.300 0.009 0.000 1.036 189 V CB -1.001 30.819 31.823 -0.004 0.000 0.654 189 V HN 0.758 nan 8.190 nan 0.000 0.451 190 Y N 1.463 121.750 120.300 -0.022 0.000 2.145 190 Y HA -0.203 4.347 4.550 -0.000 0.000 0.286 190 Y C 2.537 178.430 175.900 -0.012 0.000 1.145 190 Y CA 1.876 59.970 58.100 -0.011 0.000 1.148 190 Y CB -0.333 38.125 38.460 -0.003 0.000 0.981 190 Y HN 0.276 nan 8.280 nan 0.000 0.507 191 E N -0.307 119.695 120.200 -0.331 0.000 2.077 191 E HA -0.210 4.140 4.350 -0.000 0.000 0.193 191 E C 2.482 178.924 176.600 -0.264 0.000 0.989 191 E CA 1.450 57.605 56.400 -0.408 0.000 0.800 191 E CB -0.936 28.650 29.700 -0.189 0.000 0.746 191 E HN 0.559 nan 8.360 nan 0.000 0.452 192 C N 0.814 120.024 119.300 -0.149 0.000 2.432 192 C HA -0.096 4.364 4.460 -0.000 0.000 0.277 192 C C 2.889 177.817 174.990 -0.104 0.000 1.249 192 C CA 0.450 59.408 59.018 -0.099 0.000 1.725 192 C CB -1.180 26.531 27.740 -0.048 0.000 2.028 192 C HN 0.352 nan 8.230 nan 0.000 0.477 193 L N 1.047 122.215 121.223 -0.092 0.000 2.093 193 L HA -0.120 4.220 4.340 -0.000 0.000 0.208 193 L C 2.880 179.696 176.870 -0.090 0.000 1.085 193 L CA 1.545 56.347 54.840 -0.063 0.000 0.755 193 L CB -0.648 41.408 42.059 -0.004 0.000 0.904 193 L HN 0.480 nan 8.230 nan 0.000 0.435 194 R N 0.220 120.616 120.500 -0.174 0.000 2.280 194 R HA -0.026 4.314 4.340 -0.000 0.000 0.207 194 R C 1.733 177.953 176.300 -0.132 0.000 1.043 194 R CA 1.131 57.133 56.100 -0.164 0.000 1.006 194 R CB -0.482 29.613 30.300 -0.341 0.000 0.885 194 R HN 0.217 nan 8.270 nan 0.000 0.467 195 G N -0.641 108.076 108.800 -0.139 0.000 3.042 195 G HA2 0.307 4.267 3.960 -0.000 0.000 0.212 195 G HA3 0.307 4.267 3.960 -0.000 0.000 0.212 195 G C 0.824 175.675 174.900 -0.082 0.000 1.166 195 G CA 0.196 45.230 45.100 -0.110 0.000 0.767 195 G HN 0.540 nan 8.290 nan 0.000 0.546 196 G N -0.564 108.191 108.800 -0.075 0.000 2.318 196 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.172 196 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.172 196 G C 0.305 175.162 174.900 -0.071 0.000 1.002 196 G CA -0.357 44.705 45.100 -0.064 0.000 0.697 196 G HN 0.322 nan 8.290 nan 0.000 0.483 197 L N 1.564 122.744 121.223 -0.072 0.000 2.417 197 L HA 0.352 4.692 4.340 -0.000 0.000 0.268 197 L C 1.088 177.882 176.870 -0.127 0.000 1.158 197 L CA -0.556 54.242 54.840 -0.071 0.000 0.819 197 L CB 0.538 42.575 42.059 -0.036 0.000 1.112 197 L HN 0.015 nan 8.230 nan 0.000 0.458 198 D N 1.307 121.579 120.400 -0.214 0.000 2.183 198 D HA 0.032 4.672 4.640 -0.000 0.000 0.205 198 D C -0.052 175.914 176.300 -0.557 0.000 0.962 198 D CA 1.511 55.231 54.000 -0.468 0.000 0.849 198 D CB 0.271 40.633 40.800 -0.731 0.000 0.978 198 D HN 0.155 nan 8.370 nan 0.000 0.488 199 F N 0.235 120.154 119.950 -0.052 0.000 2.588 199 F HA 0.317 4.844 4.527 -0.000 0.000 0.314 199 F C 0.689 176.338 175.800 -0.253 0.000 1.069 199 F CA -1.059 56.840 58.000 -0.169 0.000 0.931 199 F CB 1.791 40.639 39.000 -0.254 0.000 1.260 199 F HN -0.324 nan 8.300 nan 0.000 0.465 203 D N 1.010 121.539 120.400 0.214 0.000 2.378 203 D HA -0.018 4.622 4.640 -0.000 0.000 0.238 203 D C 1.503 177.796 176.300 -0.012 0.000 1.180 203 D CA 0.047 54.105 54.000 0.097 0.000 0.895 203 D CB 1.013 41.883 40.800 0.116 0.000 1.192 203 D HN 0.414 nan 8.370 nan 0.000 0.438 204 E N 1.920 121.997 120.200 -0.204 0.000 2.204 204 E HA -0.238 4.112 4.350 -0.000 0.000 0.195 204 E C 0.718 177.207 176.600 -0.185 0.000 0.990 204 E CA 1.148 57.300 56.400 -0.413 0.000 0.821 204 E CB -0.375 28.665 29.700 -1.100 0.000 0.750 204 E HN 0.488 nan 8.360 nan 0.000 0.477 205 N N 0.918 119.567 118.700 -0.086 0.000 2.280 205 N HA 0.014 4.754 4.740 -0.000 0.000 0.192 205 N C 0.056 175.597 175.510 0.052 0.000 1.109 205 N CA -0.139 52.898 53.050 -0.021 0.000 0.855 205 N CB 0.124 38.610 38.487 -0.002 0.000 0.974 205 N HN -0.068 nan 8.380 nan 0.000 0.482 206 V N 1.991 121.953 119.914 0.080 0.000 2.397 206 V HA 0.137 4.257 4.120 -0.000 0.000 0.262 206 V C 0.304 176.445 176.094 0.078 0.000 1.047 206 V CA 0.038 62.412 62.300 0.122 0.000 1.003 206 V CB -0.519 31.392 31.823 0.148 0.000 1.037 206 V HN 0.328 nan 8.190 nan 0.000 0.480 207 N N 2.636 121.366 118.700 0.049 0.000 3.189 207 N HA 0.237 4.977 4.740 -0.000 0.000 0.204 207 N C -0.187 175.344 175.510 0.036 0.000 1.231 207 N CA -0.268 52.801 53.050 0.031 0.000 1.130 207 N CB 0.627 39.108 38.487 -0.010 0.000 1.393 207 N HN 0.511 nan 8.380 nan 0.000 0.540 208 S N 0.193 115.889 115.700 -0.007 0.000 2.668 208 S HA 0.468 4.938 4.470 -0.000 0.000 0.277 208 S C -1.886 172.632 174.600 -0.138 0.000 1.170 208 S CA -0.401 57.792 58.200 -0.012 0.000 0.994 208 S CB 1.317 64.620 63.200 0.172 0.000 1.051 208 S HN 0.248 nan 8.310 nan 0.000 0.484 209 Q N 3.291 122.893 119.800 -0.330 0.000 2.501 209 Q HA 0.474 4.814 4.340 -0.000 0.000 0.288 209 Q C -2.094 173.615 176.000 -0.486 0.000 1.051 209 Q CA -1.781 53.748 55.803 -0.457 0.000 0.788 209 Q CB 1.916 30.162 28.738 -0.819 0.000 1.469 209 Q HN 0.279 nan 8.270 nan 0.000 0.416 210 P HA -0.218 nan 4.420 nan 0.000 0.216 210 P C 0.730 177.947 177.300 -0.139 0.000 1.157 210 P CA 1.547 64.557 63.100 -0.151 0.000 0.880 210 P CB -0.027 31.659 31.700 -0.023 0.000 0.791 211 F N -2.076 117.885 119.950 0.018 0.000 2.451 211 F HA 0.164 4.690 4.527 -0.000 0.000 0.299 211 F C 1.013 176.828 175.800 0.025 0.000 1.101 211 F CA 0.362 58.377 58.000 0.024 0.000 1.436 211 F CB -0.757 38.263 39.000 0.033 0.000 1.074 211 F HN -0.134 nan 8.300 nan 0.000 0.553 212 M N 1.166 120.489 119.600 -0.462 0.000 2.355 212 M HA 0.329 4.809 4.480 -0.000 0.000 0.232 212 M C -1.451 174.683 176.300 -0.277 0.000 0.988 212 M CA -0.521 54.653 55.300 -0.210 0.000 0.931 212 M CB 1.021 33.627 32.600 0.009 0.000 2.294 212 M HN -0.196 nan 8.290 nan 0.000 0.459 213 R N 3.697 124.088 120.500 -0.182 0.000 2.490 213 R HA 0.278 4.618 4.340 -0.000 0.000 0.278 213 R C 1.058 177.245 176.300 -0.187 0.000 1.069 213 R CA -0.168 55.816 56.100 -0.194 0.000 1.080 213 R CB 0.610 30.767 30.300 -0.237 0.000 1.030 213 R HN 0.964 nan 8.270 nan 0.000 0.491 214 W N 3.850 125.012 121.300 -0.230 0.000 2.358 214 W HA -0.137 4.523 4.660 0.000 0.000 0.303 214 W C 1.191 177.457 176.519 -0.422 0.000 1.208 214 W CA 0.660 57.816 57.345 -0.314 0.000 1.274 214 W CB -0.458 28.737 29.460 -0.442 0.000 1.138 214 W HN 0.560 nan 8.180 nan 0.000 0.515 215 R N 1.038 120.743 120.500 -1.325 0.000 2.092 215 R HA -0.131 4.209 4.340 -0.000 0.000 0.231 215 R C 1.941 177.955 176.300 -0.476 0.000 1.119 215 R CA 1.967 57.349 56.100 -1.197 0.000 0.970 215 R CB -0.399 28.970 30.300 -1.552 0.000 0.864 215 R HN -0.032 nan 8.270 nan 0.000 0.440 216 D N 0.112 120.283 120.400 -0.382 0.000 2.116 216 D HA -0.237 4.402 4.640 -0.000 0.000 0.193 216 D C 1.859 178.149 176.300 -0.017 0.000 0.998 216 D CA 1.245 55.120 54.000 -0.209 0.000 0.836 216 D CB -0.238 40.510 40.800 -0.088 0.000 0.951 216 D HN 0.268 nan 8.370 nan 0.000 0.449 217 R N -0.180 120.375 120.500 0.090 0.000 2.073 217 R HA -0.157 4.183 4.340 -0.000 0.000 0.234 217 R C 2.336 178.836 176.300 0.334 0.000 1.134 217 R CA 1.091 57.331 56.100 0.233 0.000 0.952 217 R CB -0.356 30.040 30.300 0.159 0.000 0.850 217 R HN 0.024 nan 8.270 nan 0.000 0.433 218 F N 0.721 120.701 119.950 0.050 0.000 2.126 218 F HA -0.180 4.347 4.527 -0.000 0.000 0.299 218 F C 2.086 177.898 175.800 0.021 0.000 1.096 218 F CA 0.993 59.042 58.000 0.082 0.000 1.255 218 F CB -0.707 38.395 39.000 0.171 0.000 0.997 218 F HN 0.073 nan 8.300 nan 0.000 0.479 219 L N -1.828 119.471 121.223 0.128 0.000 2.109 219 L HA -0.130 4.210 4.340 -0.000 0.000 0.207 219 L C 2.194 179.051 176.870 -0.022 0.000 1.086 219 L CA 1.330 56.153 54.840 -0.028 0.000 0.760 219 L CB -0.919 41.008 42.059 -0.220 0.000 0.910 219 L HN -0.057 nan 8.230 nan 0.000 0.437 220 F N -1.590 118.397 119.950 0.062 0.000 2.206 220 F HA -0.092 4.435 4.527 -0.000 0.000 0.298 220 F C 2.372 178.185 175.800 0.021 0.000 1.090 220 F CA 0.752 58.778 58.000 0.044 0.000 1.323 220 F CB -0.942 38.092 39.000 0.057 0.000 1.028 220 F HN -0.207 nan 8.300 nan 0.000 0.492 221 V N -0.163 119.862 119.914 0.184 0.000 2.358 221 V HA -0.282 3.838 4.120 -0.000 0.000 0.246 221 V C 2.585 178.650 176.094 -0.047 0.000 1.047 221 V CA 1.670 63.967 62.300 -0.006 0.000 1.035 221 V CB -1.286 30.420 31.823 -0.194 0.000 0.658 221 V HN 0.325 nan 8.190 nan 0.000 0.452 222 A N -0.409 122.399 122.820 -0.021 0.000 1.902 222 A HA -0.292 4.027 4.320 -0.000 0.000 0.217 222 A C 2.286 179.848 177.584 -0.036 0.000 1.181 222 A CA 2.062 54.043 52.037 -0.094 0.000 0.623 222 A CB -0.558 18.474 19.000 0.053 0.000 0.818 222 A HN 0.624 nan 8.150 nan 0.000 0.443 223 E N -0.104 120.157 120.200 0.102 0.000 2.070 223 E HA -0.196 4.154 4.350 -0.000 0.000 0.197 223 E C 2.153 178.798 176.600 0.075 0.000 1.004 223 E CA 1.258 57.741 56.400 0.139 0.000 0.805 223 E CB -0.281 29.514 29.700 0.158 0.000 0.744 223 E HN 0.539 nan 8.360 nan 0.000 0.451 224 A N 0.985 123.838 122.820 0.054 0.000 1.902 224 A HA -0.167 4.153 4.320 -0.000 0.000 0.217 224 A C 2.187 179.809 177.584 0.064 0.000 1.181 224 A CA 1.380 53.458 52.037 0.069 0.000 0.623 224 A CB -0.618 18.443 19.000 0.102 0.000 0.818 224 A HN 0.346 nan 8.150 nan 0.000 0.443 225 I N -1.797 118.733 120.570 -0.067 0.000 2.179 225 I HA -0.283 3.886 4.170 -0.000 0.000 0.242 225 I C 2.353 178.421 176.117 -0.083 0.000 1.088 225 I CA 1.461 62.679 61.300 -0.137 0.000 1.357 225 I CB -0.373 37.416 38.000 -0.353 0.000 1.051 225 I HN 0.397 nan 8.210 nan 0.000 0.409 226 Y N 0.634 120.975 120.300 0.069 0.000 2.263 226 Y HA -0.175 4.374 4.550 -0.000 0.000 0.292 226 Y C 2.516 178.444 175.900 0.046 0.000 1.130 226 Y CA 0.981 59.111 58.100 0.051 0.000 1.179 226 Y CB -0.683 37.799 38.460 0.037 0.000 0.998 226 Y HN 0.084 nan 8.280 nan 0.000 0.532 227 K N 0.341 120.837 120.400 0.160 0.000 2.026 227 K HA -0.148 4.172 4.320 -0.000 0.000 0.208 227 K C 2.290 178.995 176.600 0.175 0.000 1.048 227 K CA 1.241 57.573 56.287 0.074 0.000 0.929 227 K CB -0.283 32.127 32.500 -0.150 0.000 0.713 227 K HN 0.217 nan 8.250 nan 0.000 0.439 228 A N 0.993 123.976 122.820 0.273 0.000 1.972 228 A HA -0.212 4.107 4.320 -0.000 0.000 0.219 228 A C 2.047 179.718 177.584 0.145 0.000 1.169 228 A CA 1.580 53.780 52.037 0.272 0.000 0.635 228 A CB -0.522 18.607 19.000 0.214 0.000 0.810 228 A HN 0.572 nan 8.150 nan 0.000 0.446 229 Q N -0.689 119.190 119.800 0.131 0.000 2.123 229 Q HA -0.041 4.299 4.340 -0.000 0.000 0.199 229 Q C 2.105 178.166 176.000 0.102 0.000 0.966 229 Q CA 1.275 57.142 55.803 0.108 0.000 0.845 229 Q CB -0.282 28.544 28.738 0.145 0.000 0.907 229 Q HN 0.607 nan 8.270 nan 0.000 0.439 230 A N 0.580 123.469 122.820 0.115 0.000 1.968 230 A HA -0.182 4.138 4.320 -0.000 0.000 0.217 230 A C 1.840 179.469 177.584 0.076 0.000 1.169 230 A CA 1.379 53.467 52.037 0.085 0.000 0.638 230 A CB -0.481 18.564 19.000 0.076 0.000 0.812 230 A HN 0.574 nan 8.150 nan 0.000 0.446 231 E N -0.227 120.032 120.200 0.098 0.000 2.106 231 E HA -0.155 4.195 4.350 -0.000 0.000 0.192 231 E C 1.940 178.578 176.600 0.065 0.000 0.984 231 E CA 1.725 58.182 56.400 0.094 0.000 0.806 231 E CB -0.026 29.765 29.700 0.152 0.000 0.750 231 E HN 0.715 nan 8.360 nan 0.000 0.458 232 T N -4.158 110.430 114.554 0.057 0.000 3.037 232 T HA 0.261 4.611 4.350 -0.000 0.000 0.252 232 T C 1.570 176.286 174.700 0.027 0.000 1.073 232 T CA 0.631 62.750 62.100 0.032 0.000 1.091 232 T CB 0.563 69.441 68.868 0.016 0.000 0.935 232 T HN 0.308 nan 8.240 nan 0.000 0.488 233 G N 1.288 110.109 108.800 0.035 0.000 2.184 233 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.264 233 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.264 233 G C -0.222 174.691 174.900 0.020 0.000 0.975 233 G CA 0.270 45.388 45.100 0.029 0.000 0.642 233 G HN 0.672 nan 8.290 nan 0.000 0.536 234 E N -0.170 120.036 120.200 0.011 0.000 2.191 234 E HA 0.515 4.865 4.350 -0.000 0.000 0.274 234 E C 0.403 176.997 176.600 -0.011 0.000 0.948 234 E CA -1.010 55.383 56.400 -0.011 0.000 0.802 234 E CB 2.409 32.089 29.700 -0.034 0.000 1.137 234 E HN 0.082 nan 8.360 nan 0.000 0.397 235 V N 3.960 123.861 119.914 -0.021 0.000 2.617 235 V HA -0.057 4.062 4.120 -0.000 0.000 0.304 235 V C 0.309 176.370 176.094 -0.054 0.000 1.040 235 V CA 0.616 62.909 62.300 -0.012 0.000 1.149 235 V CB -0.131 31.684 31.823 -0.013 0.000 0.914 235 V HN 0.530 nan 8.190 nan 0.000 0.487 236 K N 3.130 123.524 120.400 -0.009 0.000 2.385 236 K HA 0.801 5.121 4.320 -0.000 0.000 0.248 236 K C 0.018 176.653 176.600 0.058 0.000 0.955 236 K CA -0.382 55.888 56.287 -0.028 0.000 0.816 236 K CB 2.506 35.004 32.500 -0.003 0.000 1.250 236 K HN 0.836 nan 8.250 nan 0.000 0.434 237 G N 0.241 109.137 108.800 0.159 0.000 2.694 237 G HA2 0.434 4.394 3.960 -0.000 0.000 0.290 237 G HA3 0.434 4.394 3.960 -0.000 0.000 0.290 237 G C -1.825 173.265 174.900 0.317 0.000 1.386 237 G CA -0.237 45.062 45.100 0.332 0.000 0.872 237 G HN 0.555 nan 8.290 nan 0.000 0.475 238 H N 0.095 119.221 119.070 0.093 0.000 2.966 238 H HA 0.293 4.849 4.556 -0.000 0.000 0.347 238 H C -1.269 174.050 175.328 -0.015 0.000 1.048 238 H CA -0.602 55.424 56.048 -0.037 0.000 1.295 238 H CB 1.396 31.141 29.762 -0.029 0.000 1.744 238 H HN 0.377 nan 8.280 nan 0.000 0.513 239 Y N 5.600 125.647 120.300 -0.421 0.000 2.644 239 Y HA 0.135 4.685 4.550 -0.000 0.000 0.354 239 Y C 0.807 176.601 175.900 -0.177 0.000 1.166 239 Y CA -0.659 57.257 58.100 -0.307 0.000 1.591 239 Y CB -0.703 37.520 38.460 -0.394 0.000 1.346 239 Y HN 0.320 nan 8.280 nan 0.000 0.497 240 L N 3.403 124.663 121.223 0.061 0.000 2.410 240 L HA 0.068 4.408 4.340 -0.000 0.000 0.273 240 L C 0.726 177.616 176.870 0.032 0.000 1.144 240 L CA 0.229 55.019 54.840 -0.083 0.000 0.863 240 L CB 0.295 41.928 42.059 -0.711 0.000 1.140 240 L HN 0.623 nan 8.230 nan 0.000 0.463 241 N N 1.849 120.653 118.700 0.173 0.000 2.430 241 N HA 0.227 4.967 4.740 -0.000 0.000 0.265 241 N C 0.496 176.144 175.510 0.230 0.000 1.100 241 N CA -0.112 53.050 53.050 0.187 0.000 0.961 241 N CB 1.105 39.687 38.487 0.159 0.000 1.075 241 N HN 0.761 nan 8.380 nan 0.000 0.478 242 A N 2.674 125.588 122.820 0.157 0.000 2.308 242 A HA 0.089 4.409 4.320 -0.000 0.000 0.217 242 A C 0.686 178.295 177.584 0.042 0.000 1.216 242 A CA -0.023 52.056 52.037 0.070 0.000 0.864 242 A CB 0.050 19.064 19.000 0.025 0.000 0.902 242 A HN 0.592 nan 8.150 nan 0.000 0.499 243 T N 1.750 116.375 114.554 0.118 0.000 2.934 243 T HA 0.441 4.791 4.350 -0.000 0.000 0.306 243 T C 0.186 174.878 174.700 -0.013 0.000 1.042 243 T CA 1.019 63.178 62.100 0.099 0.000 1.145 243 T CB 0.657 69.523 68.868 -0.004 0.000 0.982 243 T HN 0.803 nan 8.240 nan 0.000 0.544 244 A N 2.157 124.965 122.820 -0.021 0.000 2.599 244 A HA 0.764 5.084 4.320 -0.000 0.000 0.290 244 A C 1.223 178.775 177.584 -0.053 0.000 1.101 244 A CA -0.290 51.700 52.037 -0.078 0.000 0.674 244 A CB 0.608 19.514 19.000 -0.155 0.000 1.277 244 A HN 0.770 nan 8.150 nan 0.000 0.419 245 G N -0.536 108.228 108.800 -0.060 0.000 2.443 245 G HA2 0.323 4.283 3.960 -0.000 0.000 0.219 245 G HA3 0.323 4.283 3.960 -0.000 0.000 0.219 245 G C 0.722 175.598 174.900 -0.040 0.000 1.131 245 G CA 1.883 46.957 45.100 -0.043 0.000 0.775 245 G HN 1.697 nan 8.290 nan 0.000 0.547 246 T N -4.419 110.104 114.554 -0.052 0.000 2.883 246 T HA 0.310 4.660 4.350 -0.000 0.000 0.296 246 T C 0.881 175.543 174.700 -0.064 0.000 1.117 246 T CA -0.255 61.816 62.100 -0.048 0.000 1.006 246 T CB 1.410 70.251 68.868 -0.045 0.000 1.191 246 T HN -0.081 nan 8.240 nan 0.000 0.508 247 C N 0.698 119.964 119.300 -0.057 0.000 2.425 247 C HA -0.013 4.447 4.460 -0.000 0.000 0.277 247 C C 2.625 177.555 174.990 -0.101 0.000 1.280 247 C CA 0.933 59.906 59.018 -0.075 0.000 1.744 247 C CB -1.321 26.385 27.740 -0.056 0.000 1.989 247 C HN 1.015 nan 8.230 nan 0.000 0.491 248 E N 0.816 120.965 120.200 -0.085 0.000 2.077 248 E HA -0.144 4.206 4.350 -0.000 0.000 0.193 248 E C 2.244 178.769 176.600 -0.124 0.000 0.989 248 E CA 0.941 57.288 56.400 -0.090 0.000 0.800 248 E CB -0.294 29.371 29.700 -0.059 0.000 0.746 248 E HN 0.500 nan 8.360 nan 0.000 0.452 249 E N 0.167 120.288 120.200 -0.131 0.000 2.077 249 E HA -0.167 4.183 4.350 -0.000 0.000 0.193 249 E C 2.011 178.435 176.600 -0.293 0.000 0.989 249 E CA 0.764 57.047 56.400 -0.195 0.000 0.800 249 E CB -0.264 29.334 29.700 -0.169 0.000 0.746 249 E HN 0.313 nan 8.360 nan 0.000 0.452 250 M N -0.247 119.215 119.600 -0.229 0.000 2.080 250 M HA -0.211 4.269 4.480 -0.000 0.000 0.260 250 M C 1.978 178.107 176.300 -0.285 0.000 1.068 250 M CA 1.461 56.619 55.300 -0.237 0.000 1.109 250 M CB -0.018 32.479 32.600 -0.173 0.000 1.342 250 M HN 0.043 nan 8.290 nan 0.000 0.405 251 M N -0.054 119.383 119.600 -0.271 0.000 2.175 251 M HA -0.177 4.303 4.480 -0.000 0.000 0.264 251 M C 1.947 178.053 176.300 -0.324 0.000 1.063 251 M CA 1.660 56.755 55.300 -0.342 0.000 1.119 251 M CB -1.167 31.263 32.600 -0.284 0.000 1.377 251 M HN 0.274 nan 8.290 nan 0.000 0.415 252 K N -0.263 119.982 120.400 -0.259 0.000 2.103 252 K HA -0.144 4.176 4.320 -0.000 0.000 0.207 252 K C 2.172 178.603 176.600 -0.281 0.000 1.048 252 K CA 1.273 57.443 56.287 -0.195 0.000 0.930 252 K CB 0.015 32.435 32.500 -0.133 0.000 0.716 252 K HN 0.273 nan 8.250 nan 0.000 0.444 253 R N -0.207 119.970 120.500 -0.537 0.000 2.073 253 R HA -0.029 4.311 4.340 -0.000 0.000 0.229 253 R C 2.347 178.651 176.300 0.006 0.000 1.120 253 R CA 1.105 56.859 56.100 -0.578 0.000 0.967 253 R CB -0.253 29.605 30.300 -0.736 0.000 0.862 253 R HN 0.156 nan 8.270 nan 0.000 0.436 254 A N 1.084 123.841 122.820 -0.106 0.000 1.883 254 A HA -0.079 4.241 4.320 -0.000 0.000 0.217 254 A C 1.395 179.000 177.584 0.035 0.000 1.186 254 A CA 1.036 53.041 52.037 -0.053 0.000 0.624 254 A CB -0.649 18.174 19.000 -0.297 0.000 0.822 254 A HN 0.072 nan 8.150 nan 0.000 0.444 258 K N 0.635 121.163 120.400 0.213 0.000 2.032 258 K HA -0.190 4.130 4.320 -0.000 0.000 0.209 258 K C 1.599 178.294 176.600 0.159 0.000 1.048 258 K CA 2.042 58.441 56.287 0.187 0.000 0.927 258 K CB -0.119 32.522 32.500 0.234 0.000 0.712 258 K HN 0.499 nan 8.250 nan 0.000 0.441 259 E N 0.522 120.822 120.200 0.167 0.000 2.118 259 E HA -0.149 4.201 4.350 -0.000 0.000 0.195 259 E C 1.912 178.596 176.600 0.141 0.000 0.992 259 E CA 1.248 57.731 56.400 0.139 0.000 0.804 259 E CB -0.002 29.781 29.700 0.139 0.000 0.741 259 E HN 0.307 nan 8.360 nan 0.000 0.458 260 L N -1.348 119.979 121.223 0.173 0.000 2.478 260 L HA 0.094 4.434 4.340 -0.000 0.000 0.223 260 L C 1.545 178.559 176.870 0.239 0.000 1.140 260 L CA 0.459 55.417 54.840 0.197 0.000 0.842 260 L CB -0.002 42.178 42.059 0.201 0.000 0.953 260 L HN 0.390 nan 8.230 nan 0.000 0.452 261 G N 0.406 109.321 108.800 0.191 0.000 2.162 261 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.260 261 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.260 261 G C 0.451 175.486 174.900 0.224 0.000 0.976 261 G CA 0.280 45.497 45.100 0.195 0.000 0.655 261 G HN 0.273 nan 8.290 nan 0.000 0.533 262 V N -1.801 118.215 119.914 0.170 0.000 2.963 262 V HA 0.608 4.728 4.120 -0.000 0.000 0.306 262 V C 0.033 176.180 176.094 0.087 0.000 1.077 262 V CA -0.581 61.774 62.300 0.091 0.000 1.124 262 V CB 1.043 32.869 31.823 0.006 0.000 0.987 262 V HN 0.079 nan 8.190 nan 0.000 0.487 263 P HA 0.283 nan 4.420 nan 0.000 0.230 263 P C 0.110 177.436 177.300 0.042 0.000 1.168 263 P CA 0.665 63.811 63.100 0.077 0.000 0.793 263 P CB 0.469 32.241 31.700 0.121 0.000 0.851 264 I N -0.290 120.306 120.570 0.042 0.000 2.752 264 I HA 0.395 4.565 4.170 -0.000 0.000 0.295 264 I C -1.266 174.845 176.117 -0.011 0.000 1.219 264 I CA -1.644 59.640 61.300 -0.026 0.000 1.030 264 I CB 2.341 40.277 38.000 -0.106 0.000 1.259 264 I HN -0.251 nan 8.210 nan 0.000 0.423 265 I N 4.392 124.938 120.570 -0.040 0.000 3.206 265 I HA 0.680 4.850 4.170 -0.000 0.000 0.313 265 I C -0.883 175.223 176.117 -0.018 0.000 1.103 265 I CA -0.958 60.336 61.300 -0.009 0.000 0.985 265 I CB 2.148 40.161 38.000 0.022 0.000 1.240 265 I HN 0.715 nan 8.210 nan 0.000 0.464 266 M N 1.682 121.318 119.600 0.061 0.000 2.644 266 M HA 0.642 5.122 4.480 -0.000 0.000 0.304 266 M C -1.595 174.813 176.300 0.181 0.000 1.215 266 M CA -0.502 54.870 55.300 0.119 0.000 0.871 266 M CB 2.230 34.960 32.600 0.217 0.000 1.740 266 M HN 0.812 nan 8.290 nan 0.000 0.464 267 H N -0.132 118.967 119.070 0.049 0.000 2.954 267 H HA 0.433 4.989 4.556 -0.000 0.000 0.361 267 H C -1.924 173.447 175.328 0.071 0.000 1.122 267 H CA -0.499 55.570 56.048 0.034 0.000 1.217 267 H CB 1.732 31.499 29.762 0.007 0.000 1.776 267 H HN 0.765 nan 8.280 nan 0.000 0.533 268 D N 5.158 125.288 120.400 -0.450 0.000 2.453 268 D HA -0.010 4.630 4.640 -0.000 0.000 0.223 268 D C 0.812 176.791 176.300 -0.535 0.000 1.183 268 D CA -0.133 53.671 54.000 -0.326 0.000 0.933 268 D CB -0.147 40.502 40.800 -0.252 0.000 1.038 268 D HN 0.629 nan 8.370 nan 0.000 0.513 269 Y N 1.138 121.175 120.300 -0.439 0.000 2.333 269 Y HA -0.083 4.466 4.550 -0.000 0.000 0.290 269 Y C 1.329 176.959 175.900 -0.450 0.000 1.144 269 Y CA 0.918 58.796 58.100 -0.371 0.000 1.228 269 Y CB -0.498 37.844 38.460 -0.196 0.000 0.985 269 Y HN 0.223 nan 8.280 nan 0.000 0.542 270 L N 0.389 121.087 121.223 -0.876 0.000 2.209 270 L HA -0.025 4.315 4.340 -0.000 0.000 0.207 270 L C 2.552 179.164 176.870 -0.430 0.000 1.094 270 L CA 1.413 55.778 54.840 -0.792 0.000 0.790 270 L CB -0.697 40.932 42.059 -0.716 0.000 0.932 270 L HN 0.412 nan 8.230 nan 0.000 0.447 271 T N -3.770 110.591 114.554 -0.322 0.000 3.035 271 T HA 0.039 4.389 4.350 -0.000 0.000 0.259 271 T C 1.904 176.493 174.700 -0.185 0.000 1.078 271 T CA 0.689 62.662 62.100 -0.212 0.000 1.132 271 T CB -0.365 68.406 68.868 -0.163 0.000 0.900 271 T HN 0.291 nan 8.240 nan 0.000 0.480 272 G N 1.494 110.152 108.800 -0.236 0.000 2.394 272 G HA2 0.425 4.385 3.960 -0.000 0.000 0.214 272 G HA3 0.425 4.385 3.960 -0.000 0.000 0.214 272 G C 0.865 175.730 174.900 -0.057 0.000 1.176 272 G CA 0.244 45.276 45.100 -0.112 0.000 0.786 272 G HN 1.250 nan 8.290 nan 0.000 0.533 273 G N -1.980 106.729 108.800 -0.151 0.000 2.576 273 G HA2 0.006 3.966 3.960 -0.000 0.000 0.686 273 G HA3 0.006 3.966 3.960 -0.000 0.000 0.686 273 G C 0.119 174.963 174.900 -0.093 0.000 1.242 273 G CA -0.178 44.821 45.100 -0.168 0.000 0.819 273 G HN 0.084 nan 8.290 nan 0.000 0.655 274 F N 0.730 120.685 119.950 0.009 0.000 2.161 274 F HA -0.048 4.479 4.527 -0.000 0.000 0.300 274 F C 3.088 178.909 175.800 0.035 0.000 1.089 274 F CA 2.369 60.382 58.000 0.021 0.000 1.282 274 F CB -0.637 38.320 39.000 -0.072 0.000 1.010 274 F HN 0.559 nan 8.300 nan 0.000 0.485 275 T N -0.213 114.458 114.554 0.195 0.000 2.701 275 T HA -0.160 4.190 4.350 -0.000 0.000 0.263 275 T C 2.339 177.083 174.700 0.073 0.000 1.040 275 T CA 1.381 63.551 62.100 0.117 0.000 1.147 275 T CB -0.743 68.175 68.868 0.082 0.000 0.865 275 T HN 0.275 nan 8.240 nan 0.000 0.426 276 A N 2.219 125.074 122.820 0.059 0.000 1.883 276 A HA -0.201 4.119 4.320 -0.000 0.000 0.217 276 A C 2.270 179.818 177.584 -0.060 0.000 1.186 276 A CA 1.847 53.885 52.037 0.002 0.000 0.624 276 A CB -0.916 18.106 19.000 0.037 0.000 0.822 276 A HN 0.545 nan 8.150 nan 0.000 0.444 277 N N -0.641 118.099 118.700 0.065 0.000 2.043 277 N HA -0.155 4.585 4.740 -0.000 0.000 0.193 277 N C 1.706 177.228 175.510 0.019 0.000 1.037 277 N CA 2.185 55.260 53.050 0.041 0.000 0.851 277 N CB -0.277 38.376 38.487 0.276 0.000 1.027 277 N HN 0.447 nan 8.380 nan 0.000 0.422 278 T N 0.218 114.823 114.554 0.085 0.000 2.720 278 T HA -0.080 4.270 4.350 -0.000 0.000 0.268 278 T C 2.119 176.831 174.700 0.020 0.000 1.037 278 T CA 1.388 63.528 62.100 0.066 0.000 1.144 278 T CB -0.325 68.601 68.868 0.097 0.000 0.864 278 T HN 0.222 nan 8.240 nan 0.000 0.444 279 S N 1.045 116.746 115.700 0.002 0.000 2.368 279 S HA -0.023 4.447 4.470 -0.000 0.000 0.225 279 S C 1.897 176.492 174.600 -0.008 0.000 1.030 279 S CA 0.693 58.889 58.200 -0.007 0.000 0.999 279 S CB -0.397 62.788 63.200 -0.026 0.000 0.844 279 S HN 0.264 nan 8.310 nan 0.000 0.459 280 L N 1.697 122.878 121.223 -0.070 0.000 2.109 280 L HA 0.174 4.514 4.340 -0.000 0.000 0.207 280 L C 2.304 179.174 176.870 0.001 0.000 1.086 280 L CA 1.569 56.365 54.840 -0.073 0.000 0.760 280 L CB -1.045 40.856 42.059 -0.263 0.000 0.910 280 L HN 0.223 nan 8.230 nan 0.000 0.437 281 A N -0.149 122.655 122.820 -0.026 0.000 1.908 281 A HA -0.205 4.115 4.320 -0.000 0.000 0.218 281 A C 2.271 179.838 177.584 -0.027 0.000 1.181 281 A CA 2.183 54.202 52.037 -0.029 0.000 0.627 281 A CB -0.859 18.121 19.000 -0.034 0.000 0.818 281 A HN 0.499 nan 8.150 nan 0.000 0.445 282 I N -2.246 118.322 120.570 -0.004 0.000 2.179 282 I HA -0.256 3.914 4.170 -0.000 0.000 0.242 282 I C 2.440 178.555 176.117 -0.003 0.000 1.088 282 I CA 1.697 62.990 61.300 -0.011 0.000 1.357 282 I CB -0.426 37.575 38.000 0.002 0.000 1.051 282 I HN 0.523 nan 8.210 nan 0.000 0.409 283 Y N 0.993 121.263 120.300 -0.049 0.000 2.165 283 Y HA -0.355 4.195 4.550 -0.000 0.000 0.286 283 Y C 2.688 178.575 175.900 -0.022 0.000 1.155 283 Y CA 1.678 59.757 58.100 -0.034 0.000 1.164 283 Y CB -0.418 38.018 38.460 -0.040 0.000 0.978 283 Y HN 0.208 nan 8.280 nan 0.000 0.513 284 C N -0.189 119.121 119.300 0.016 0.000 2.440 284 C HA -0.092 4.368 4.460 -0.000 0.000 0.278 284 C C 2.737 177.681 174.990 -0.078 0.000 1.295 284 C CA 1.229 60.245 59.018 -0.003 0.000 1.738 284 C CB -1.130 26.641 27.740 0.051 0.000 1.987 284 C HN 0.568 nan 8.230 nan 0.000 0.492 285 R N 1.934 122.340 120.500 -0.158 0.000 2.083 285 R HA -0.105 4.235 4.340 -0.000 0.000 0.237 285 R C 1.407 177.623 176.300 -0.140 0.000 1.137 285 R CA 2.011 57.981 56.100 -0.217 0.000 0.951 285 R CB -0.888 29.296 30.300 -0.193 0.000 0.851 285 R HN 0.423 nan 8.270 nan 0.000 0.434 286 D N -0.426 119.868 120.400 -0.177 0.000 2.348 286 D HA -0.027 4.613 4.640 -0.000 0.000 0.216 286 D C 0.354 176.524 176.300 -0.217 0.000 0.970 286 D CA 0.741 54.632 54.000 -0.182 0.000 0.889 286 D CB 0.067 40.750 40.800 -0.195 0.000 0.912 286 D HN 0.370 nan 8.370 nan 0.000 0.524 287 N N -0.933 117.614 118.700 -0.256 0.000 2.143 287 N HA 0.102 4.841 4.740 -0.000 0.000 0.222 287 N C 0.912 176.385 175.510 -0.063 0.000 1.264 287 N CA 0.395 53.309 53.050 -0.227 0.000 0.897 287 N CB 2.058 40.251 38.487 -0.489 0.000 1.092 287 N HN 0.071 nan 8.380 nan 0.000 0.516 288 G N 1.747 110.567 108.800 0.033 0.000 2.160 288 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.251 288 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.251 288 G C -0.068 174.868 174.900 0.060 0.000 1.008 288 G CA 0.078 45.242 45.100 0.107 0.000 0.724 288 G HN 0.242 nan 8.290 nan 0.000 0.514 289 L N 0.286 121.582 121.223 0.122 0.000 2.305 289 L HA 0.495 4.835 4.340 -0.000 0.000 0.281 289 L C 1.234 178.185 176.870 0.136 0.000 1.085 289 L CA -0.899 53.995 54.840 0.090 0.000 0.813 289 L CB 0.967 43.091 42.059 0.108 0.000 1.157 289 L HN 0.089 nan 8.230 nan 0.000 0.436 290 L N 3.931 125.147 121.223 -0.011 0.000 2.439 290 L HA 0.204 4.544 4.340 -0.000 0.000 0.269 290 L C -0.358 176.458 176.870 -0.089 0.000 1.179 290 L CA -0.214 54.607 54.840 -0.032 0.000 0.828 290 L CB 0.773 42.735 42.059 -0.162 0.000 1.106 290 L HN 0.387 nan 8.230 nan 0.000 0.467 291 L N 2.587 123.729 121.223 -0.135 0.000 2.372 291 L HA 0.353 4.693 4.340 -0.000 0.000 0.273 291 L C -0.583 176.107 176.870 -0.300 0.000 0.989 291 L CA -0.237 54.508 54.840 -0.159 0.000 0.841 291 L CB 1.067 43.081 42.059 -0.075 0.000 1.225 291 L HN 0.476 nan 8.230 nan 0.000 0.414 292 H N 5.344 124.119 119.070 -0.492 0.000 2.580 292 H HA 0.584 5.140 4.556 -0.000 0.000 0.322 292 H C -0.899 174.306 175.328 -0.204 0.000 1.082 292 H CA -0.439 55.275 56.048 -0.556 0.000 1.383 292 H CB 0.815 29.946 29.762 -1.052 0.000 1.450 292 H HN 0.510 nan 8.280 nan 0.000 0.505 293 I N 5.768 125.973 120.570 -0.609 0.000 2.362 293 I HA 0.118 4.288 4.170 -0.000 0.000 0.289 293 I C -0.030 175.935 176.117 -0.254 0.000 0.994 293 I CA -0.448 60.676 61.300 -0.293 0.000 1.158 293 I CB 0.966 38.780 38.000 -0.310 0.000 1.315 293 I HN 0.732 nan 8.210 nan 0.000 0.451 294 H N 7.424 126.412 119.070 -0.137 0.000 2.473 294 H HA 0.323 4.879 4.556 -0.000 0.000 0.327 294 H C 0.422 175.711 175.328 -0.065 0.000 1.105 294 H CA -0.376 55.536 56.048 -0.227 0.000 1.280 294 H CB 1.532 31.193 29.762 -0.169 0.000 1.450 294 H HN 0.600 nan 8.280 nan 0.000 0.492 295 R N 3.043 123.367 120.500 -0.294 0.000 2.466 295 R HA 0.393 4.733 4.340 -0.000 0.000 0.279 295 R C 0.201 176.527 176.300 0.043 0.000 0.976 295 R CA -0.319 55.794 56.100 0.021 0.000 1.081 295 R CB 0.033 30.320 30.300 -0.022 0.000 1.215 295 R HN 0.396 nan 8.270 nan 0.000 0.546 296 A N 1.777 124.725 122.820 0.213 0.000 2.608 296 A HA -0.038 4.282 4.320 -0.000 0.000 0.246 296 A C 0.923 178.511 177.584 0.006 0.000 0.998 296 A CA 1.247 53.387 52.037 0.173 0.000 0.796 296 A CB -0.318 18.758 19.000 0.126 0.000 0.895 296 A HN 0.860 nan 8.150 nan 0.000 0.508 297 M N 0.495 120.080 119.600 -0.025 0.000 3.019 297 M HA -0.288 4.192 4.480 -0.000 0.000 0.214 297 M C 0.949 177.185 176.300 -0.106 0.000 0.577 297 M CA 1.814 57.058 55.300 -0.093 0.000 0.816 297 M CB -2.033 30.502 32.600 -0.109 0.000 2.911 297 M HN 1.289 nan 8.290 nan 0.000 0.302 298 H N -0.845 118.159 119.070 -0.110 0.000 2.387 298 H HA 0.244 4.800 4.556 -0.000 0.000 0.299 298 H C 1.708 176.998 175.328 -0.063 0.000 1.090 298 H CA 1.987 57.994 56.048 -0.068 0.000 1.332 298 H CB -0.482 29.253 29.762 -0.045 0.000 1.386 298 H HN 0.481 nan 8.280 nan 0.000 0.516 299 A N 1.097 123.372 122.820 -0.908 0.000 2.119 299 A HA 0.024 4.344 4.320 -0.000 0.000 0.217 299 A C 2.440 179.865 177.584 -0.264 0.000 1.153 299 A CA 0.952 52.615 52.037 -0.624 0.000 0.692 299 A CB -0.669 17.946 19.000 -0.641 0.000 0.799 299 A HN 0.361 nan 8.150 nan 0.000 0.458 300 V N -0.260 119.534 119.914 -0.199 0.000 2.490 300 V HA -0.231 3.889 4.120 -0.000 0.000 0.250 300 V C 2.174 178.234 176.094 -0.057 0.000 1.061 300 V CA 2.118 64.355 62.300 -0.104 0.000 1.064 300 V CB -0.470 31.302 31.823 -0.086 0.000 0.670 300 V HN 0.623 nan 8.190 nan 0.000 0.461 301 I N 0.376 120.914 120.570 -0.052 0.000 3.081 301 I HA 0.009 4.179 4.170 -0.000 0.000 0.274 301 I C 1.630 177.751 176.117 0.006 0.000 1.178 301 I CA 0.995 62.289 61.300 -0.010 0.000 1.460 301 I CB 0.008 38.012 38.000 0.007 0.000 1.137 301 I HN 0.451 nan 8.210 nan 0.000 0.443 302 D N -0.474 119.921 120.400 -0.009 0.000 2.469 302 D HA -0.021 4.619 4.640 -0.000 0.000 0.213 302 D C 1.815 178.093 176.300 -0.036 0.000 1.135 302 D CA -0.073 53.927 54.000 -0.001 0.000 0.834 302 D CB 0.057 40.897 40.800 0.067 0.000 1.009 302 D HN -0.083 nan 8.370 nan 0.000 0.507 303 R N 0.225 120.698 120.500 -0.045 0.000 2.062 303 R HA 0.054 4.394 4.340 -0.000 0.000 0.229 303 R C 0.497 176.805 176.300 0.013 0.000 1.128 303 R CA 1.115 57.193 56.100 -0.037 0.000 0.960 303 R CB -0.102 30.159 30.300 -0.066 0.000 0.855 303 R HN 0.064 nan 8.270 nan 0.000 0.432 304 Q N 0.354 120.177 119.800 0.039 0.000 2.293 304 Q HA 0.076 4.416 4.340 -0.000 0.000 0.251 304 Q C 0.344 176.404 176.000 0.099 0.000 0.930 304 Q CA 0.050 55.894 55.803 0.070 0.000 0.893 304 Q CB 1.341 30.129 28.738 0.084 0.000 1.215 304 Q HN 0.238 nan 8.270 nan 0.000 0.425 305 R N 1.949 122.510 120.500 0.102 0.000 2.115 305 R HA -0.104 4.236 4.340 -0.000 0.000 0.226 305 R C 1.288 177.660 176.300 0.120 0.000 1.100 305 R CA 1.423 57.594 56.100 0.118 0.000 0.980 305 R CB 0.303 30.663 30.300 0.100 0.000 0.875 305 R HN 0.654 nan 8.270 nan 0.000 0.445 306 N N -1.148 117.627 118.700 0.125 0.000 2.392 306 N HA -0.104 4.635 4.740 -0.000 0.000 0.177 306 N C -0.329 175.304 175.510 0.205 0.000 1.066 306 N CA 0.627 53.759 53.050 0.137 0.000 0.895 306 N CB 0.129 38.687 38.487 0.118 0.000 0.988 306 N HN 0.241 nan 8.380 nan 0.000 0.457 307 H N -1.285 117.852 119.070 0.111 0.000 2.947 307 H HA 0.560 5.116 4.556 -0.000 0.000 0.354 307 H C 0.112 175.536 175.328 0.161 0.000 1.085 307 H CA 0.401 56.544 56.048 0.158 0.000 1.253 307 H CB 1.442 31.284 29.762 0.134 0.000 1.757 307 H HN 0.329 nan 8.280 nan 0.000 0.523 308 G N 2.708 111.446 108.800 -0.104 0.000 2.250 308 G HA2 -0.024 3.936 3.960 -0.000 0.000 0.196 308 G HA3 -0.024 3.936 3.960 -0.000 0.000 0.196 308 G C -1.533 173.359 174.900 -0.012 0.000 1.308 308 G CA -0.305 44.761 45.100 -0.057 0.000 1.207 308 G HN 0.648 nan 8.290 nan 0.000 0.505 309 I N 0.905 121.463 120.570 -0.020 0.000 2.534 309 I HA 0.328 4.497 4.170 -0.000 0.000 0.288 309 I C 0.079 176.238 176.117 0.071 0.000 1.077 309 I CA -0.870 60.431 61.300 0.001 0.000 1.051 309 I CB 2.041 39.999 38.000 -0.071 0.000 1.234 309 I HN 0.675 nan 8.210 nan 0.000 0.425 310 H N 4.761 123.849 119.070 0.029 0.000 2.790 310 H HA 0.005 4.561 4.556 -0.000 0.000 0.358 310 H C 0.419 175.807 175.328 0.100 0.000 1.103 310 H CA 0.691 56.791 56.048 0.086 0.000 1.426 310 H CB 1.082 30.888 29.762 0.073 0.000 1.424 310 H HN 0.640 nan 8.280 nan 0.000 0.599 311 F N 5.097 124.885 119.950 -0.269 0.000 2.202 311 F HA -0.200 4.327 4.527 -0.000 0.000 0.301 311 F C 2.588 178.336 175.800 -0.086 0.000 1.082 311 F CA 1.644 59.535 58.000 -0.182 0.000 1.313 311 F CB -0.110 38.640 39.000 -0.416 0.000 1.024 311 F HN 0.674 nan 8.300 nan 0.000 0.495 312 R N -0.333 120.242 120.500 0.126 0.000 2.127 312 R HA -0.122 4.218 4.340 -0.000 0.000 0.238 312 R C 1.752 178.004 176.300 -0.080 0.000 1.134 312 R CA 1.907 57.994 56.100 -0.023 0.000 0.975 312 R CB -1.410 29.045 30.300 0.258 0.000 0.865 312 R HN 0.301 nan 8.270 nan 0.000 0.447 313 V N 1.915 121.825 119.914 -0.007 0.000 2.379 313 V HA -0.151 3.969 4.120 -0.000 0.000 0.245 313 V C 2.485 178.613 176.094 0.057 0.000 1.044 313 V CA 1.436 63.747 62.300 0.019 0.000 1.036 313 V CB -0.397 31.426 31.823 0.000 0.000 0.664 313 V HN 0.269 nan 8.190 nan 0.000 0.453 314 L N 0.305 121.528 121.223 -0.001 0.000 2.131 314 L HA -0.154 4.186 4.340 -0.000 0.000 0.210 314 L C 2.702 179.474 176.870 -0.163 0.000 1.092 314 L CA 1.525 56.414 54.840 0.082 0.000 0.759 314 L CB -0.845 41.291 42.059 0.127 0.000 0.903 314 L HN 0.368 nan 8.230 nan 0.000 0.435 315 A N 0.118 122.544 122.820 -0.658 0.000 1.898 315 A HA -0.170 4.150 4.320 -0.000 0.000 0.216 315 A C 2.361 179.824 177.584 -0.202 0.000 1.181 315 A CA 1.330 53.028 52.037 -0.566 0.000 0.620 315 A CB -0.275 18.280 19.000 -0.742 0.000 0.819 315 A HN 0.272 nan 8.150 nan 0.000 0.442 316 K N -0.267 120.101 120.400 -0.053 0.000 2.063 316 K HA -0.108 4.212 4.320 -0.000 0.000 0.208 316 K C 2.286 178.927 176.600 0.069 0.000 1.048 316 K CA 1.180 57.560 56.287 0.155 0.000 0.928 316 K CB -0.310 32.320 32.500 0.216 0.000 0.713 316 K HN 0.447 nan 8.250 nan 0.000 0.442 317 A N 1.723 124.559 122.820 0.027 0.000 1.930 317 A HA -0.132 4.188 4.320 -0.000 0.000 0.217 317 A C 2.034 179.576 177.584 -0.070 0.000 1.175 317 A CA 0.927 52.919 52.037 -0.074 0.000 0.627 317 A CB -0.494 18.445 19.000 -0.101 0.000 0.815 317 A HN 0.233 nan 8.150 nan 0.000 0.443 318 L N -0.278 120.929 121.223 -0.025 0.000 2.046 318 L HA -0.133 4.207 4.340 -0.000 0.000 0.208 318 L C 2.450 179.182 176.870 -0.229 0.000 1.077 318 L CA 2.279 56.997 54.840 -0.204 0.000 0.747 318 L CB -0.884 40.812 42.059 -0.604 0.000 0.896 318 L HN 0.520 nan 8.230 nan 0.000 0.432 319 R N -0.634 119.715 120.500 -0.252 0.000 2.117 319 R HA -0.213 4.126 4.340 -0.000 0.000 0.243 319 R C 2.295 178.434 176.300 -0.268 0.000 1.143 319 R CA 2.064 57.965 56.100 -0.333 0.000 0.968 319 R CB -0.112 29.828 30.300 -0.600 0.000 0.863 319 R HN 0.365 nan 8.270 nan 0.000 0.444 320 M N -1.179 118.275 119.600 -0.243 0.000 2.160 320 M HA -0.100 4.380 4.480 -0.000 0.000 0.264 320 M C 2.469 178.662 176.300 -0.178 0.000 1.073 320 M CA 1.600 56.677 55.300 -0.371 0.000 1.142 320 M CB -0.161 31.922 32.600 -0.862 0.000 1.358 320 M HN 0.120 nan 8.290 nan 0.000 0.422 321 S N -0.248 115.387 115.700 -0.108 0.000 2.370 321 S HA 0.024 4.494 4.470 -0.000 0.000 0.226 321 S C 0.849 175.464 174.600 0.025 0.000 1.033 321 S CA 1.385 59.617 58.200 0.052 0.000 1.011 321 S CB -0.432 62.860 63.200 0.154 0.000 0.852 321 S HN 0.675 nan 8.310 nan 0.000 0.457 322 G N -1.627 107.139 108.800 -0.057 0.000 3.101 322 G HA2 0.430 4.390 3.960 -0.000 0.000 0.672 322 G HA3 0.430 4.390 3.960 -0.000 0.000 0.672 322 G C -0.331 174.496 174.900 -0.121 0.000 1.331 322 G CA -0.446 44.602 45.100 -0.087 0.000 0.925 322 G HN 1.084 nan 8.290 nan 0.000 0.596 323 G N 0.603 109.313 108.800 -0.151 0.000 2.691 323 G HA2 0.602 4.562 3.960 -0.000 0.000 0.298 323 G HA3 0.602 4.562 3.960 -0.000 0.000 0.298 323 G C -0.108 174.709 174.900 -0.137 0.000 1.471 323 G CA 0.247 45.250 45.100 -0.162 0.000 0.912 323 G HN 0.358 nan 8.290 nan 0.000 0.553 324 D N -0.241 120.087 120.400 -0.121 0.000 2.216 324 D HA 0.063 4.703 4.640 -0.000 0.000 0.208 324 D C 0.413 176.767 176.300 0.090 0.000 0.960 324 D CA 1.091 55.066 54.000 -0.041 0.000 0.861 324 D CB 0.296 41.065 40.800 -0.052 0.000 0.985 324 D HN 0.571 nan 8.370 nan 0.000 0.493 325 H N -0.721 118.217 119.070 -0.221 0.000 2.621 325 H HA 0.560 5.116 4.556 -0.000 0.000 0.360 325 H C -1.006 174.116 175.328 -0.344 0.000 1.163 325 H CA -1.070 54.817 56.048 -0.268 0.000 1.194 325 H CB 2.673 32.243 29.762 -0.319 0.000 1.649 325 H HN -0.119 nan 8.280 nan 0.000 0.532 326 L N 1.774 122.914 121.223 -0.138 0.000 2.543 326 L HA 0.199 4.539 4.340 -0.000 0.000 0.265 326 L C -0.900 175.942 176.870 -0.047 0.000 0.945 326 L CA -0.375 54.385 54.840 -0.134 0.000 0.869 326 L CB 1.455 43.441 42.059 -0.122 0.000 1.294 326 L HN 0.717 nan 8.230 nan 0.000 0.405 327 H N 2.688 121.635 119.070 -0.205 0.000 3.001 327 H HA 0.166 4.722 4.556 -0.000 0.000 0.334 327 H C 0.305 175.548 175.328 -0.141 0.000 1.034 327 H CA 0.997 56.925 56.048 -0.199 0.000 1.420 327 H CB 0.988 30.560 29.762 -0.316 0.000 1.405 327 H HN 0.781 nan 8.280 nan 0.000 0.593 328 S N 1.677 117.369 115.700 -0.014 0.000 2.733 328 S HA 0.300 4.770 4.470 -0.000 0.000 0.247 328 S C 0.877 175.596 174.600 0.199 0.000 1.043 328 S CA 0.126 58.455 58.200 0.214 0.000 1.066 328 S CB 1.081 64.493 63.200 0.353 0.000 1.045 328 S HN 1.108 nan 8.310 nan 0.000 0.586 329 G N 1.267 110.069 108.800 0.003 0.000 2.756 329 G HA2 -0.087 3.872 3.960 -0.000 0.000 0.678 329 G HA3 -0.087 3.872 3.960 -0.000 0.000 0.678 329 G C 0.273 175.241 174.900 0.112 0.000 1.349 329 G CA 0.223 45.345 45.100 0.037 0.000 0.847 329 G HN 1.084 nan 8.290 nan 0.000 0.548 330 T N -3.310 111.288 114.554 0.073 0.000 2.959 330 T HA 0.457 4.807 4.350 -0.000 0.000 0.254 330 T C 1.818 176.578 174.700 0.100 0.000 1.003 330 T CA 1.314 63.474 62.100 0.099 0.000 0.950 330 T CB 0.445 69.258 68.868 -0.090 0.000 1.090 330 T HN 2.294 nan 8.240 nan 0.000 0.503 331 V N 0.873 120.817 119.914 0.051 0.000 0.481 331 V HA -0.332 3.787 4.120 -0.000 0.000 0.092 331 V C 2.019 178.117 176.094 0.008 0.000 2.400 331 V CA 1.987 64.296 62.300 0.015 0.000 3.646 331 V CB -1.970 29.835 31.823 -0.030 0.000 0.927 331 V HN 0.736 nan 8.190 nan 0.000 0.973 332 V N -1.092 118.801 119.914 -0.035 0.000 3.647 332 V HA 0.705 4.825 4.120 -0.000 0.000 0.279 332 V C 1.178 177.201 176.094 -0.118 0.000 1.314 332 V CA 1.195 63.466 62.300 -0.049 0.000 1.125 332 V CB -0.044 31.745 31.823 -0.057 0.000 0.907 332 V HN 0.911 nan 8.190 nan 0.000 0.434 333 G N 1.224 109.916 108.800 -0.181 0.000 2.641 333 G HA2 0.305 4.265 3.960 -0.000 0.000 0.239 333 G HA3 0.305 4.265 3.960 -0.000 0.000 0.239 333 G C 0.723 175.364 174.900 -0.432 0.000 1.402 333 G CA 0.031 44.956 45.100 -0.292 0.000 1.046 333 G HN 0.413 nan 8.290 nan 0.000 0.565 334 K N -1.107 118.815 120.400 -0.796 0.000 2.366 334 K HA 0.129 4.449 4.320 -0.000 0.000 0.198 334 K C 0.117 176.492 176.600 -0.377 0.000 1.044 334 K CA 0.403 56.133 56.287 -0.929 0.000 0.973 334 K CB -0.250 31.664 32.500 -0.976 0.000 0.767 334 K HN 0.202 nan 8.250 nan 0.000 0.475 335 L N 1.708 122.782 121.223 -0.248 0.000 2.330 335 L HA 0.329 4.669 4.340 -0.000 0.000 0.271 335 L C -0.054 176.774 176.870 -0.071 0.000 1.013 335 L CA -0.975 53.781 54.840 -0.140 0.000 0.816 335 L CB 1.810 43.808 42.059 -0.102 0.000 1.287 335 L HN 0.074 nan 8.230 nan 0.000 0.435 336 E N 0.726 120.901 120.200 -0.042 0.000 2.392 336 E HA 0.475 4.825 4.350 -0.000 0.000 0.264 336 E C -0.364 176.261 176.600 0.042 0.000 1.024 336 E CA -0.032 56.373 56.400 0.007 0.000 0.903 336 E CB 0.789 30.492 29.700 0.005 0.000 0.963 336 E HN 0.757 nan 8.360 nan 0.000 0.432 337 G N 4.072 112.913 108.800 0.068 0.000 2.020 337 G HA2 -0.008 3.952 3.960 -0.000 0.000 0.304 337 G HA3 -0.008 3.952 3.960 -0.000 0.000 0.304 337 G C -1.127 173.823 174.900 0.084 0.000 1.500 337 G CA -0.721 44.444 45.100 0.108 0.000 1.120 337 G HN 0.471 nan 8.290 nan 0.000 0.555 338 E N 2.229 122.487 120.200 0.098 0.000 2.366 338 E HA 0.178 4.528 4.350 -0.000 0.000 0.266 338 E C 1.357 177.962 176.600 0.008 0.000 1.051 338 E CA -0.635 55.802 56.400 0.062 0.000 0.884 338 E CB 1.144 30.892 29.700 0.080 0.000 1.006 338 E HN 0.569 nan 8.360 nan 0.000 0.417 339 R N 2.880 123.366 120.500 -0.024 0.000 2.080 339 R HA -0.169 4.171 4.340 -0.000 0.000 0.236 339 R C 1.429 177.665 176.300 -0.106 0.000 1.137 339 R CA 1.601 57.651 56.100 -0.082 0.000 0.943 339 R CB 0.080 30.340 30.300 -0.067 0.000 0.846 339 R HN 0.494 nan 8.270 nan 0.000 0.431 340 E N 0.065 120.228 120.200 -0.060 0.000 2.150 340 E HA -0.106 4.244 4.350 -0.000 0.000 0.193 340 E C 2.095 178.654 176.600 -0.069 0.000 0.985 340 E CA 0.856 57.218 56.400 -0.063 0.000 0.814 340 E CB -0.156 29.524 29.700 -0.034 0.000 0.752 340 E HN 0.210 nan 8.360 nan 0.000 0.466 341 V N 1.205 121.106 119.914 -0.023 0.000 2.307 341 V HA -0.220 3.900 4.120 -0.000 0.000 0.245 341 V C 2.335 178.309 176.094 -0.201 0.000 1.045 341 V CA 2.114 64.441 62.300 0.046 0.000 1.024 341 V CB -0.771 31.198 31.823 0.244 0.000 0.651 341 V HN 0.271 nan 8.190 nan 0.000 0.449 342 T N 0.420 114.749 114.554 -0.375 0.000 2.746 342 T HA -0.130 4.220 4.350 -0.000 0.000 0.267 342 T C 1.891 176.140 174.700 -0.751 0.000 1.039 342 T CA 1.474 63.032 62.100 -0.903 0.000 1.142 342 T CB -0.304 68.318 68.868 -0.411 0.000 0.866 342 T HN 0.277 nan 8.240 nan 0.000 0.444 343 L N 0.632 121.615 121.223 -0.399 0.000 2.083 343 L HA -0.044 4.296 4.340 -0.000 0.000 0.209 343 L C 2.969 179.724 176.870 -0.190 0.000 1.083 343 L CA 1.311 55.991 54.840 -0.267 0.000 0.752 343 L CB -1.013 40.936 42.059 -0.184 0.000 0.899 343 L HN 0.357 nan 8.230 nan 0.000 0.433 344 G N 1.023 109.720 108.800 -0.171 0.000 2.459 344 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.217 344 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.217 344 G C 1.296 176.229 174.900 0.056 0.000 1.183 344 G CA 1.113 46.189 45.100 -0.040 0.000 0.776 344 G HN 0.489 nan 8.290 nan 0.000 0.552 345 F N 0.435 120.461 119.950 0.127 0.000 2.512 345 F HA 0.292 4.819 4.527 -0.000 0.000 0.296 345 F C 2.166 178.044 175.800 0.131 0.000 1.110 345 F CA -0.058 58.028 58.000 0.144 0.000 1.446 345 F CB -0.796 38.321 39.000 0.195 0.000 1.092 345 F HN -0.009 nan 8.300 nan 0.000 0.554 346 V N 1.385 121.365 119.914 0.110 0.000 2.358 346 V HA -0.245 3.875 4.120 -0.000 0.000 0.246 346 V C 2.149 178.318 176.094 0.125 0.000 1.047 346 V CA 2.272 64.671 62.300 0.165 0.000 1.035 346 V CB -0.673 31.203 31.823 0.089 0.000 0.658 346 V HN 0.231 nan 8.190 nan 0.000 0.452 347 D N 0.219 120.670 120.400 0.085 0.000 2.123 347 D HA -0.163 4.476 4.640 -0.000 0.000 0.196 347 D C 2.094 178.482 176.300 0.147 0.000 0.992 347 D CA 1.322 55.381 54.000 0.098 0.000 0.833 347 D CB -0.310 40.538 40.800 0.079 0.000 0.954 347 D HN 0.342 nan 8.370 nan 0.000 0.455 348 L N -0.192 121.152 121.223 0.202 0.000 2.191 348 L HA -0.111 4.229 4.340 -0.000 0.000 0.212 348 L C 2.487 179.445 176.870 0.148 0.000 1.103 348 L CA 0.703 55.720 54.840 0.295 0.000 0.769 348 L CB -0.245 42.009 42.059 0.324 0.000 0.908 348 L HN 0.050 nan 8.230 nan 0.000 0.438 349 M N -1.404 118.238 119.600 0.070 0.000 2.287 349 M HA -0.084 4.396 4.480 -0.000 0.000 0.266 349 M C 2.237 178.442 176.300 -0.159 0.000 1.079 349 M CA 1.496 56.750 55.300 -0.076 0.000 1.146 349 M CB -0.024 32.600 32.600 0.040 0.000 1.374 349 M HN 0.109 nan 8.290 nan 0.000 0.435 350 R N -0.548 119.919 120.500 -0.056 0.000 2.195 350 R HA 0.100 4.440 4.340 -0.000 0.000 0.197 350 R C -0.075 176.204 176.300 -0.036 0.000 0.990 350 R CA 0.271 56.343 56.100 -0.046 0.000 1.048 350 R CB 0.325 30.637 30.300 0.020 0.000 0.997 350 R HN 0.243 nan 8.270 nan 0.000 0.502 351 D N 0.116 120.527 120.400 0.020 0.000 2.340 351 D HA 0.006 4.646 4.640 -0.000 0.000 0.251 351 D C 0.280 176.676 176.300 0.160 0.000 1.080 351 D CA -0.062 53.997 54.000 0.097 0.000 0.971 351 D CB 1.298 42.185 40.800 0.144 0.000 1.137 351 D HN -0.118 nan 8.370 nan 0.000 0.475 352 D N -1.002 119.521 120.400 0.206 0.000 2.249 352 D HA -0.086 4.554 4.640 -0.000 0.000 0.205 352 D C -0.649 175.898 176.300 0.412 0.000 0.962 352 D CA 0.601 54.778 54.000 0.294 0.000 0.860 352 D CB 0.255 41.183 40.800 0.213 0.000 0.955 352 D HN 0.296 nan 8.370 nan 0.000 0.505 353 Y N -0.134 120.281 120.300 0.192 0.000 2.361 353 Y HA 0.451 5.001 4.550 -0.000 0.000 0.328 353 Y C -1.640 174.334 175.900 0.124 0.000 1.044 353 Y CA -0.959 57.221 58.100 0.135 0.000 1.085 353 Y CB 1.639 40.149 38.460 0.082 0.000 1.194 353 Y HN -0.327 nan 8.280 nan 0.000 0.438 354 V N 5.859 125.655 119.914 -0.198 0.000 2.443 354 V HA 0.331 4.451 4.120 -0.000 0.000 0.293 354 V C -0.447 175.539 176.094 -0.179 0.000 1.021 354 V CA -1.049 61.212 62.300 -0.064 0.000 0.848 354 V CB 1.512 33.367 31.823 0.053 0.000 0.998 354 V HN 0.686 nan 8.190 nan 0.000 0.424 355 E N 2.755 122.927 120.200 -0.047 0.000 2.383 355 E HA 0.149 4.499 4.350 -0.000 0.000 0.264 355 E C 0.045 176.637 176.600 -0.013 0.000 1.050 355 E CA -0.498 55.890 56.400 -0.021 0.000 0.896 355 E CB 1.231 30.974 29.700 0.071 0.000 0.982 355 E HN 0.523 nan 8.360 nan 0.000 0.424 356 K N 2.126 122.521 120.400 -0.008 0.000 2.530 356 K HA -0.151 4.169 4.320 -0.000 0.000 0.280 356 K C -0.626 175.955 176.600 -0.032 0.000 1.004 356 K CA 0.805 57.084 56.287 -0.013 0.000 1.071 356 K CB 0.248 32.745 32.500 -0.006 0.000 0.876 356 K HN 0.337 nan 8.250 nan 0.000 0.487 357 D N 4.090 124.453 120.400 -0.061 0.000 2.362 357 D HA 0.135 4.775 4.640 -0.000 0.000 0.232 357 D C 0.300 176.526 176.300 -0.123 0.000 1.329 357 D CA -0.461 53.497 54.000 -0.070 0.000 0.944 357 D CB 0.531 41.310 40.800 -0.036 0.000 1.471 357 D HN 0.465 nan 8.370 nan 0.000 0.533 358 R N 0.661 121.057 120.500 -0.174 0.000 2.152 358 R HA -0.066 4.274 4.340 -0.000 0.000 0.232 358 R C 1.817 178.007 176.300 -0.183 0.000 1.117 358 R CA 1.188 57.127 56.100 -0.268 0.000 0.981 358 R CB -0.555 29.572 30.300 -0.289 0.000 0.870 358 R HN 0.489 nan 8.270 nan 0.000 0.451 359 S N 0.011 115.643 115.700 -0.113 0.000 2.515 359 S HA -0.018 4.452 4.470 -0.000 0.000 0.231 359 S C 1.543 176.107 174.600 -0.060 0.000 0.987 359 S CA 0.540 58.695 58.200 -0.075 0.000 0.936 359 S CB 0.038 63.205 63.200 -0.055 0.000 0.766 359 S HN 0.233 nan 8.310 nan 0.000 0.528 360 R N 0.006 120.468 120.500 -0.064 0.000 2.509 360 R HA 0.300 4.640 4.340 -0.000 0.000 0.300 360 R C 1.203 177.485 176.300 -0.030 0.000 0.985 360 R CA 0.356 56.430 56.100 -0.043 0.000 1.092 360 R CB 0.373 30.650 30.300 -0.038 0.000 1.237 360 R HN 0.539 nan 8.270 nan 0.000 0.546 361 G N 1.635 110.394 108.800 -0.069 0.000 2.162 361 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.260 361 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.260 361 G C 0.159 175.073 174.900 0.023 0.000 0.976 361 G CA -0.121 44.953 45.100 -0.044 0.000 0.655 361 G HN 0.269 nan 8.290 nan 0.000 0.533 362 I N 1.116 121.668 120.570 -0.030 0.000 2.281 362 I HA 0.310 4.480 4.170 -0.000 0.000 0.293 362 I C 1.315 177.410 176.117 -0.037 0.000 1.085 362 I CA -0.875 60.449 61.300 0.040 0.000 1.257 362 I CB 0.359 38.377 38.000 0.031 0.000 1.430 362 I HN 0.071 nan 8.210 nan 0.000 0.489 363 Y N 5.198 125.392 120.300 -0.176 0.000 2.457 363 Y HA 0.112 4.662 4.550 -0.000 0.000 0.292 363 Y C 0.275 175.855 175.900 -0.533 0.000 1.125 363 Y CA 0.566 58.430 58.100 -0.393 0.000 1.254 363 Y CB -0.129 37.958 38.460 -0.622 0.000 1.012 363 Y HN 0.301 nan 8.280 nan 0.000 0.555 364 F N -1.809 118.237 119.950 0.160 0.000 2.578 364 F HA 0.351 4.878 4.527 -0.000 0.000 0.311 364 F C 0.245 176.027 175.800 -0.029 0.000 1.094 364 F CA -1.763 56.280 58.000 0.071 0.000 0.923 364 F CB 1.029 40.063 39.000 0.058 0.000 1.230 364 F HN -0.502 nan 8.300 nan 0.000 0.450 365 T N 2.071 116.707 114.554 0.137 0.000 2.867 365 T HA 0.175 4.525 4.350 -0.000 0.000 0.297 365 T C -0.362 174.238 174.700 -0.167 0.000 0.989 365 T CA 0.207 62.267 62.100 -0.066 0.000 1.159 365 T CB 0.306 69.124 68.868 -0.084 0.000 0.928 365 T HN 0.442 nan 8.240 nan 0.000 0.538 366 Q N 3.005 122.619 119.800 -0.311 0.000 2.327 366 Q HA 0.349 4.689 4.340 -0.000 0.000 0.270 366 Q C -1.452 174.211 176.000 -0.562 0.000 1.022 366 Q CA -0.690 54.863 55.803 -0.416 0.000 0.773 366 Q CB 1.240 29.765 28.738 -0.355 0.000 1.251 366 Q HN 0.478 nan 8.270 nan 0.000 0.457 367 D N 3.950 124.052 120.400 -0.496 0.000 2.381 367 D HA 0.272 4.912 4.640 -0.000 0.000 0.235 367 D C -1.130 175.024 176.300 -0.243 0.000 1.068 367 D CA -0.237 53.622 54.000 -0.236 0.000 0.832 367 D CB 0.431 41.229 40.800 -0.002 0.000 1.101 367 D HN 0.478 nan 8.370 nan 0.000 0.515 371 M N 3.863 123.542 119.600 0.131 0.000 2.252 371 M HA 0.185 4.665 4.480 -0.000 0.000 0.348 371 M C -2.591 173.691 176.300 -0.030 0.000 1.334 371 M CA -0.874 54.462 55.300 0.060 0.000 1.071 371 M CB 0.252 32.913 32.600 0.102 0.000 1.763 371 M HN -0.139 nan 8.290 nan 0.000 0.452 372 P HA 0.089 nan 4.420 nan 0.000 0.267 372 P C -0.460 176.747 177.300 -0.154 0.000 1.200 372 P CA -0.041 63.018 63.100 -0.068 0.000 0.772 372 P CB 0.356 32.026 31.700 -0.050 0.000 0.855 373 G N 1.116 109.840 108.800 -0.128 0.000 2.476 373 G HA2 0.427 4.387 3.960 -0.000 0.000 0.269 373 G HA3 0.427 4.387 3.960 -0.000 0.000 0.269 373 G C -0.712 174.108 174.900 -0.132 0.000 1.195 373 G CA -0.417 44.579 45.100 -0.173 0.000 0.843 373 G HN 0.356 nan 8.290 nan 0.000 0.545 374 V N 2.523 122.340 119.914 -0.161 0.000 2.439 374 V HA 0.305 4.425 4.120 -0.000 0.000 0.282 374 V C 0.464 176.519 176.094 -0.066 0.000 1.039 374 V CA -0.682 61.550 62.300 -0.112 0.000 0.913 374 V CB 1.468 33.194 31.823 -0.160 0.000 0.983 374 V HN 0.830 nan 8.190 nan 0.000 0.460 375 M N 9.286 128.861 119.600 -0.042 0.000 2.227 375 M HA 0.327 4.807 4.480 -0.000 0.000 0.349 375 M C -2.335 173.883 176.300 -0.137 0.000 1.443 375 M CA -1.107 54.139 55.300 -0.090 0.000 1.110 375 M CB 0.823 33.331 32.600 -0.153 0.000 1.773 375 M HN 0.376 nan 8.290 nan 0.000 0.463 376 P HA 0.134 nan 4.420 nan 0.000 0.275 376 P C -1.315 175.800 177.300 -0.309 0.000 1.227 376 P CA -0.268 62.757 63.100 -0.124 0.000 0.781 376 P CB 0.768 32.469 31.700 0.002 0.000 0.906 377 V N 2.839 122.548 119.914 -0.342 0.000 2.378 377 V HA 0.517 4.637 4.120 -0.000 0.000 0.288 377 V C 0.418 176.185 176.094 -0.545 0.000 1.016 377 V CA -0.836 61.186 62.300 -0.464 0.000 0.840 377 V CB 1.278 32.803 31.823 -0.496 0.000 0.994 377 V HN 0.684 nan 8.190 nan 0.000 0.431 378 A N 3.873 126.328 122.820 -0.609 0.000 2.252 378 A HA 0.825 5.145 4.320 -0.000 0.000 0.309 378 A C 0.051 177.377 177.584 -0.431 0.000 1.285 378 A CA -0.219 51.495 52.037 -0.539 0.000 0.900 378 A CB 0.940 19.504 19.000 -0.727 0.000 1.157 378 A HN 0.922 nan 8.150 nan 0.000 0.536 379 S N 1.855 117.360 115.700 -0.323 0.000 2.537 379 S HA 0.746 5.216 4.470 -0.000 0.000 0.270 379 S C -0.477 174.018 174.600 -0.174 0.000 1.142 379 S CA 0.447 58.487 58.200 -0.266 0.000 0.870 379 S CB 1.323 64.412 63.200 -0.184 0.000 1.112 379 S HN 2.608 nan 8.310 nan 0.000 0.466 380 G N 1.511 110.202 108.800 -0.183 0.000 2.768 380 G HA2 0.443 4.403 3.960 -0.000 0.000 0.666 380 G HA3 0.443 4.403 3.960 -0.000 0.000 0.666 380 G C 0.878 175.630 174.900 -0.247 0.000 1.162 380 G CA 0.302 45.303 45.100 -0.164 0.000 1.226 380 G HN 2.240 nan 8.290 nan 0.000 0.535 381 G N 0.258 108.937 108.800 -0.202 0.000 2.225 381 G HA2 0.042 4.001 3.960 -0.000 0.000 0.264 381 G HA3 0.042 4.001 3.960 -0.000 0.000 0.264 381 G C 0.489 175.362 174.900 -0.044 0.000 1.060 381 G CA 0.871 45.859 45.100 -0.186 0.000 0.833 381 G HN 2.252 nan 8.290 nan 0.000 0.498 382 I N -2.345 118.181 120.570 -0.073 0.000 2.750 382 I HA 0.984 5.154 4.170 -0.000 0.000 0.308 382 I C 0.173 176.480 176.117 0.316 0.000 1.016 382 I CA -1.509 59.814 61.300 0.038 0.000 1.098 382 I CB 1.905 39.767 38.000 -0.231 0.000 1.279 382 I HN 0.345 nan 8.210 nan 0.000 0.454 383 H N 1.027 120.456 119.070 0.599 0.000 2.947 383 H HA 0.468 5.024 4.556 -0.000 0.000 0.290 383 H C 0.609 176.098 175.328 0.268 0.000 1.430 383 H CA -0.421 55.774 56.048 0.246 0.000 1.189 383 H CB 0.589 30.216 29.762 -0.224 0.000 1.875 383 H HN 0.351 nan 8.280 nan 0.000 0.568 384 V N -2.853 117.217 119.914 0.260 0.000 2.380 384 V HA -0.237 3.883 4.120 -0.000 0.000 0.251 384 V C 1.342 177.450 176.094 0.023 0.000 1.063 384 V CA 1.805 64.111 62.300 0.010 0.000 1.055 384 V CB -1.236 30.500 31.823 -0.144 0.000 0.657 384 V HN 0.783 nan 8.190 nan 0.000 0.455 385 W N -0.269 121.155 121.300 0.206 0.000 2.525 385 W HA 0.025 4.685 4.660 -0.000 0.000 0.259 385 W C 2.560 179.036 176.519 -0.072 0.000 1.253 385 W CA 1.092 58.467 57.345 0.050 0.000 1.262 385 W CB -0.418 29.098 29.460 0.092 0.000 1.122 385 W HN 0.365 nan 8.180 nan 0.000 0.607 386 H N -1.000 118.178 119.070 0.180 0.000 2.551 386 H HA 0.024 4.579 4.556 -0.000 0.000 0.266 386 H C 1.899 177.318 175.328 0.151 0.000 0.964 386 H CA 0.902 57.017 56.048 0.112 0.000 1.180 386 H CB -0.335 29.435 29.762 0.013 0.000 1.408 386 H HN 0.163 nan 8.280 nan 0.000 0.563 387 M N 1.559 121.317 119.600 0.263 0.000 2.088 387 M HA -0.101 4.379 4.480 -0.000 0.000 0.256 387 M C -0.937 175.464 176.300 0.169 0.000 1.071 387 M CA 1.787 57.214 55.300 0.211 0.000 1.097 387 M CB -0.925 31.743 32.600 0.112 0.000 1.315 387 M HN 0.080 nan 8.290 nan 0.000 0.406 388 P HA -0.053 nan 4.420 nan 0.000 0.215 388 P C 1.163 178.535 177.300 0.119 0.000 1.157 388 P CA 2.191 65.361 63.100 0.118 0.000 0.863 388 P CB -0.391 31.378 31.700 0.115 0.000 0.787 389 A N -0.565 122.340 122.820 0.141 0.000 1.940 389 A HA -0.183 4.137 4.320 -0.000 0.000 0.219 389 A C 2.228 179.876 177.584 0.107 0.000 1.176 389 A CA 1.579 53.684 52.037 0.112 0.000 0.631 389 A CB -1.722 17.357 19.000 0.132 0.000 0.814 389 A HN 0.119 nan 8.150 nan 0.000 0.446 390 L N -0.738 120.590 121.223 0.176 0.000 2.056 390 L HA -0.136 4.204 4.340 -0.000 0.000 0.207 390 L C 2.491 179.523 176.870 0.270 0.000 1.078 390 L CA 1.031 56.032 54.840 0.268 0.000 0.749 390 L CB -0.545 41.676 42.059 0.271 0.000 0.901 390 L HN 0.238 nan 8.230 nan 0.000 0.433 391 V N -0.497 119.527 119.914 0.183 0.000 2.427 391 V HA -0.234 3.886 4.120 -0.000 0.000 0.248 391 V C 2.556 178.708 176.094 0.097 0.000 1.051 391 V CA 1.605 63.991 62.300 0.144 0.000 1.048 391 V CB -0.511 31.376 31.823 0.106 0.000 0.666 391 V HN 0.465 nan 8.190 nan 0.000 0.456 392 E N 0.373 120.612 120.200 0.065 0.000 2.051 392 E HA -0.212 4.138 4.350 -0.000 0.000 0.192 392 E C 2.177 178.753 176.600 -0.042 0.000 0.991 392 E CA 1.717 58.127 56.400 0.018 0.000 0.799 392 E CB -0.120 29.588 29.700 0.014 0.000 0.748 392 E HN 0.600 nan 8.360 nan 0.000 0.449 393 I N -0.379 120.124 120.570 -0.112 0.000 2.163 393 I HA -0.246 3.924 4.170 -0.000 0.000 0.240 393 I C 1.994 177.880 176.117 -0.384 0.000 1.081 393 I CA 1.118 62.209 61.300 -0.348 0.000 1.353 393 I CB -0.168 37.450 38.000 -0.636 0.000 1.054 393 I HN 0.036 nan 8.210 nan 0.000 0.407 394 F N 0.252 120.196 119.950 -0.010 0.000 2.619 394 F HA 0.330 4.857 4.527 -0.000 0.000 0.293 394 F C 1.649 177.449 175.800 -0.001 0.000 1.119 394 F CA 0.544 58.537 58.000 -0.013 0.000 1.445 394 F CB -0.715 38.274 39.000 -0.018 0.000 1.119 394 F HN 0.145 nan 8.300 nan 0.000 0.573 395 G N 0.777 109.674 108.800 0.161 0.000 2.601 395 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.252 395 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.252 395 G C 0.327 175.297 174.900 0.117 0.000 1.294 395 G CA 0.248 45.413 45.100 0.110 0.000 0.912 395 G HN 0.168 nan 8.290 nan 0.000 0.574 396 D N 0.541 120.992 120.400 0.085 0.000 2.183 396 D HA 0.075 4.715 4.640 -0.000 0.000 0.203 396 D C 1.008 177.345 176.300 0.062 0.000 0.969 396 D CA 1.179 55.223 54.000 0.072 0.000 0.842 396 D CB -0.119 40.722 40.800 0.067 0.000 0.957 396 D HN 0.366 nan 8.370 nan 0.000 0.484 397 D N 0.843 121.283 120.400 0.066 0.000 2.608 397 D HA 0.451 5.091 4.640 -0.000 0.000 0.224 397 D C -0.340 175.969 176.300 0.014 0.000 1.123 397 D CA 0.152 54.178 54.000 0.043 0.000 1.030 397 D CB 0.100 40.930 40.800 0.050 0.000 1.093 397 D HN 0.028 nan 8.370 nan 0.000 0.497 398 A N 0.213 123.015 122.820 -0.031 0.000 2.601 398 A HA 0.541 4.861 4.320 -0.000 0.000 0.291 398 A C -1.248 176.241 177.584 -0.159 0.000 1.075 398 A CA -0.762 51.192 52.037 -0.139 0.000 0.671 398 A CB 1.565 20.461 19.000 -0.174 0.000 1.277 398 A HN 0.382 nan 8.150 nan 0.000 0.417 399 C N 1.723 120.871 119.300 -0.252 0.000 2.379 399 C HA 0.803 5.263 4.460 -0.000 0.000 0.323 399 C C -0.939 173.919 174.990 -0.221 0.000 1.262 399 C CA -0.585 58.335 59.018 -0.164 0.000 1.581 399 C CB -0.667 26.983 27.740 -0.151 0.000 2.221 399 C HN 0.696 nan 8.230 nan 0.000 0.497 400 L N 5.994 127.148 121.223 -0.114 0.000 2.313 400 L HA 0.553 4.893 4.340 -0.000 0.000 0.283 400 L C -0.167 176.586 176.870 -0.194 0.000 1.013 400 L CA -0.192 54.531 54.840 -0.196 0.000 0.816 400 L CB 1.341 43.391 42.059 -0.017 0.000 1.236 400 L HN 0.648 nan 8.230 nan 0.000 0.419 401 Q N 3.010 122.542 119.800 -0.447 0.000 2.333 401 Q HA 0.557 4.897 4.340 -0.000 0.000 0.267 401 Q C -1.584 174.080 176.000 -0.561 0.000 1.012 401 Q CA -0.480 55.142 55.803 -0.302 0.000 0.824 401 Q CB 2.631 31.267 28.738 -0.170 0.000 1.290 401 Q HN 0.423 nan 8.270 nan 0.000 0.449 402 F N 0.905 120.838 119.950 -0.028 0.000 2.532 402 F HA 0.356 4.883 4.527 -0.000 0.000 0.365 402 F C 0.821 176.609 175.800 -0.020 0.000 1.112 402 F CA -0.664 57.318 58.000 -0.030 0.000 1.082 402 F CB 1.327 40.313 39.000 -0.023 0.000 1.319 402 F HN 0.742 nan 8.300 nan 0.000 0.457 403 G N 1.531 110.383 108.800 0.086 0.000 2.655 403 G HA2 0.076 4.036 3.960 -0.000 0.000 0.217 403 G HA3 0.076 4.036 3.960 -0.000 0.000 0.217 403 G C 1.773 176.727 174.900 0.091 0.000 1.279 403 G CA 0.591 45.734 45.100 0.071 0.000 0.870 403 G HN 0.741 nan 8.290 nan 0.000 0.560 404 G N 0.760 109.603 108.800 0.072 0.000 2.503 404 G HA2 -0.014 3.946 3.960 -0.000 0.000 0.221 404 G HA3 -0.014 3.946 3.960 -0.000 0.000 0.221 404 G C 1.700 176.651 174.900 0.084 0.000 1.131 404 G CA 1.467 46.623 45.100 0.093 0.000 0.756 404 G HN 0.728 nan 8.290 nan 0.000 0.572 405 G N -0.910 107.888 108.800 -0.003 0.000 2.625 405 G HA2 0.121 4.081 3.960 -0.000 0.000 0.214 405 G HA3 0.121 4.081 3.960 -0.000 0.000 0.214 405 G C 1.505 176.499 174.900 0.156 0.000 1.132 405 G CA 1.612 46.630 45.100 -0.137 0.000 0.782 405 G HN 0.432 nan 8.290 nan 0.000 0.538 406 T N 0.251 114.926 114.554 0.203 0.000 3.151 406 T HA 0.099 4.449 4.350 -0.000 0.000 0.239 406 T C 1.995 176.817 174.700 0.203 0.000 0.979 406 T CA -0.105 62.105 62.100 0.184 0.000 1.194 406 T CB -0.052 68.882 68.868 0.110 0.000 0.982 406 T HN 0.055 nan 8.240 nan 0.000 0.428 407 L N 1.503 122.823 121.223 0.162 0.000 2.622 407 L HA 0.234 4.574 4.340 -0.000 0.000 0.233 407 L C 2.098 179.085 176.870 0.196 0.000 1.156 407 L CA 0.835 55.757 54.840 0.137 0.000 0.866 407 L CB -0.179 41.928 42.059 0.080 0.000 0.980 407 L HN 0.362 nan 8.230 nan 0.000 0.448 408 G N -3.208 105.781 108.800 0.316 0.000 3.324 408 G HA2 -0.038 3.922 3.960 -0.000 0.000 0.251 408 G HA3 -0.038 3.922 3.960 -0.000 0.000 0.251 408 G C 0.372 175.471 174.900 0.331 0.000 1.072 408 G CA -0.311 45.011 45.100 0.370 0.000 0.787 408 G HN 0.236 nan 8.290 nan 0.000 0.537 409 H N 2.186 121.385 119.070 0.215 0.000 2.848 409 H HA 0.108 4.664 4.556 -0.000 0.000 0.341 409 H C -1.131 174.150 175.328 -0.078 0.000 1.060 409 H CA -1.171 54.861 56.048 -0.028 0.000 1.444 409 H CB 2.098 31.863 29.762 0.005 0.000 1.446 409 H HN 0.011 nan 8.280 nan 0.000 0.583 410 P HA -0.128 nan 4.420 nan 0.000 0.225 410 P C 0.580 178.116 177.300 0.394 0.000 1.148 410 P CA 1.038 64.135 63.100 -0.004 0.000 0.779 410 P CB 0.098 31.693 31.700 -0.174 0.000 0.780 411 W N 0.327 121.837 121.300 0.349 0.000 3.239 411 W HA 0.511 5.171 4.660 -0.000 0.000 0.348 411 W C 1.094 177.639 176.519 0.043 0.000 1.183 411 W CA 0.266 57.702 57.345 0.151 0.000 1.819 411 W CB -0.744 28.779 29.460 0.106 0.000 1.091 411 W HN 0.055 nan 8.180 nan 0.000 0.629 412 G N 1.155 110.108 108.800 0.254 0.000 2.610 412 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.304 412 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.304 412 G C 0.663 175.578 174.900 0.025 0.000 1.309 412 G CA -0.117 45.051 45.100 0.114 0.000 0.906 412 G HN -0.004 nan 8.290 nan 0.000 0.521 413 N N -0.003 118.693 118.700 -0.008 0.000 2.135 413 N HA 0.074 4.814 4.740 -0.000 0.000 0.186 413 N C 2.730 178.180 175.510 -0.101 0.000 1.027 413 N CA 2.481 55.506 53.050 -0.042 0.000 0.849 413 N CB -0.727 37.731 38.487 -0.049 0.000 1.002 413 N HN 1.076 nan 8.380 nan 0.000 0.425 414 A N 1.600 124.349 122.820 -0.118 0.000 1.877 414 A HA -0.043 4.277 4.320 -0.000 0.000 0.216 414 A C -0.195 177.300 177.584 -0.148 0.000 1.186 414 A CA 1.357 53.309 52.037 -0.140 0.000 0.620 414 A CB -1.558 17.353 19.000 -0.149 0.000 0.822 414 A HN 0.214 nan 8.150 nan 0.000 0.443 415 P HA -0.114 nan 4.420 nan 0.000 0.215 415 P C 1.733 178.703 177.300 -0.550 0.000 1.153 415 P CA 1.775 64.705 63.100 -0.283 0.000 0.853 415 P CB -0.362 31.221 31.700 -0.196 0.000 0.788 416 G N -0.065 108.397 108.800 -0.564 0.000 2.418 416 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.217 416 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.217 416 G C 1.646 176.457 174.900 -0.148 0.000 1.158 416 G CA 0.969 45.876 45.100 -0.321 0.000 0.771 416 G HN 0.329 nan 8.290 nan 0.000 0.545 417 A N 1.160 123.898 122.820 -0.137 0.000 1.898 417 A HA 0.327 4.647 4.320 -0.000 0.000 0.216 417 A C 2.831 180.344 177.584 -0.118 0.000 1.181 417 A CA 2.144 54.117 52.037 -0.107 0.000 0.620 417 A CB -0.827 18.118 19.000 -0.093 0.000 0.819 417 A HN 0.770 nan 8.150 nan 0.000 0.442 418 A N 0.051 122.796 122.820 -0.125 0.000 1.908 418 A HA 0.100 4.420 4.320 -0.000 0.000 0.218 418 A C 2.524 180.050 177.584 -0.096 0.000 1.181 418 A CA 2.300 54.279 52.037 -0.096 0.000 0.627 418 A CB -1.119 17.828 19.000 -0.088 0.000 0.818 418 A HN 1.102 nan 8.150 nan 0.000 0.445 419 A N 0.235 122.978 122.820 -0.130 0.000 1.883 419 A HA -0.270 4.050 4.320 -0.000 0.000 0.217 419 A C 1.909 179.413 177.584 -0.133 0.000 1.186 419 A CA 2.012 53.987 52.037 -0.103 0.000 0.624 419 A CB -0.944 18.031 19.000 -0.041 0.000 0.822 419 A HN 0.717 nan 8.150 nan 0.000 0.444 420 N N -1.385 117.198 118.700 -0.196 0.000 2.188 420 N HA -0.155 4.585 4.740 -0.000 0.000 0.184 420 N C 1.956 177.338 175.510 -0.214 0.000 1.018 420 N CA 1.320 54.165 53.050 -0.343 0.000 0.858 420 N CB -0.106 38.052 38.487 -0.548 0.000 0.989 420 N HN 0.454 nan 8.380 nan 0.000 0.426 421 R N 0.960 121.384 120.500 -0.127 0.000 2.073 421 R HA 0.053 4.393 4.340 -0.000 0.000 0.229 421 R C 1.702 177.982 176.300 -0.034 0.000 1.120 421 R CA 0.882 56.942 56.100 -0.067 0.000 0.967 421 R CB -0.668 29.602 30.300 -0.051 0.000 0.862 421 R HN -0.017 nan 8.270 nan 0.000 0.436 422 V N 1.094 120.999 119.914 -0.016 0.000 2.287 422 V HA -0.236 3.884 4.120 -0.000 0.000 0.248 422 V C 2.363 178.456 176.094 -0.001 0.000 1.053 422 V CA 2.036 64.360 62.300 0.039 0.000 1.027 422 V CB -1.018 30.874 31.823 0.115 0.000 0.646 422 V HN 0.544 nan 8.190 nan 0.000 0.447 423 A N -0.184 122.606 122.820 -0.051 0.000 1.908 423 A HA -0.239 4.081 4.320 -0.000 0.000 0.218 423 A C 2.181 179.743 177.584 -0.035 0.000 1.181 423 A CA 2.364 54.359 52.037 -0.070 0.000 0.627 423 A CB -0.595 18.329 19.000 -0.127 0.000 0.818 423 A HN 0.509 nan 8.150 nan 0.000 0.445 424 L N -0.415 120.790 121.223 -0.031 0.000 2.109 424 L HA -0.050 4.290 4.340 -0.000 0.000 0.207 424 L C 2.092 178.967 176.870 0.007 0.000 1.086 424 L CA 2.198 57.042 54.840 0.008 0.000 0.760 424 L CB -0.469 41.601 42.059 0.020 0.000 0.910 424 L HN 0.477 nan 8.230 nan 0.000 0.437 425 E N -0.127 120.070 120.200 -0.005 0.000 2.072 425 E HA -0.147 4.203 4.350 -0.000 0.000 0.190 425 E C 2.190 178.776 176.600 -0.023 0.000 0.982 425 E CA 0.956 57.350 56.400 -0.010 0.000 0.803 425 E CB -0.247 29.447 29.700 -0.011 0.000 0.755 425 E HN 0.662 nan 8.360 nan 0.000 0.453 426 A N 1.037 123.839 122.820 -0.029 0.000 1.883 426 A HA -0.219 4.101 4.320 -0.000 0.000 0.217 426 A C 2.462 180.033 177.584 -0.022 0.000 1.186 426 A CA 1.369 53.380 52.037 -0.042 0.000 0.624 426 A CB -0.971 18.005 19.000 -0.040 0.000 0.822 426 A HN 0.361 nan 8.150 nan 0.000 0.444 427 C N -1.172 118.126 119.300 -0.003 0.000 2.422 427 C HA -0.065 4.395 4.460 -0.000 0.000 0.279 427 C C 3.027 178.028 174.990 0.018 0.000 1.305 427 C CA 1.538 60.565 59.018 0.016 0.000 1.757 427 C CB -1.495 26.267 27.740 0.037 0.000 1.962 427 C HN 0.658 nan 8.230 nan 0.000 0.499 428 T N -0.203 114.359 114.554 0.014 0.000 2.812 428 T HA -0.197 4.153 4.350 -0.000 0.000 0.264 428 T C 1.889 176.592 174.700 0.005 0.000 1.042 428 T CA 1.366 63.476 62.100 0.017 0.000 1.140 428 T CB -0.316 68.564 68.868 0.019 0.000 0.870 428 T HN 0.651 nan 8.240 nan 0.000 0.445 429 Q N 0.666 120.460 119.800 -0.011 0.000 2.050 429 Q HA -0.113 4.227 4.340 -0.000 0.000 0.202 429 Q C 2.517 178.506 176.000 -0.017 0.000 0.980 429 Q CA 1.543 57.333 55.803 -0.022 0.000 0.840 429 Q CB -0.300 28.410 28.738 -0.047 0.000 0.898 429 Q HN 0.515 nan 8.270 nan 0.000 0.424 430 A N 1.477 124.288 122.820 -0.015 0.000 1.883 430 A HA -0.240 4.080 4.320 -0.000 0.000 0.217 430 A C 2.177 179.762 177.584 0.002 0.000 1.186 430 A CA 1.637 53.669 52.037 -0.008 0.000 0.624 430 A CB -0.804 18.196 19.000 -0.001 0.000 0.822 430 A HN 0.386 nan 8.150 nan 0.000 0.444 431 R N 0.063 120.568 120.500 0.009 0.000 2.091 431 R HA -0.154 4.186 4.340 -0.000 0.000 0.238 431 R C 1.852 178.158 176.300 0.010 0.000 1.136 431 R CA 1.924 58.032 56.100 0.014 0.000 0.959 431 R CB -0.570 29.743 30.300 0.022 0.000 0.856 431 R HN 0.764 nan 8.270 nan 0.000 0.437 432 N N 0.111 118.815 118.700 0.007 0.000 2.244 432 N HA -0.134 4.605 4.740 -0.000 0.000 0.183 432 N C 1.021 176.530 175.510 -0.001 0.000 1.016 432 N CA 0.778 53.830 53.050 0.004 0.000 0.866 432 N CB 0.006 38.494 38.487 0.002 0.000 0.980 432 N HN 0.372 nan 8.380 nan 0.000 0.430 433 E N -0.155 120.043 120.200 -0.005 0.000 2.511 433 E HA 0.005 4.355 4.350 -0.000 0.000 0.196 433 E C 0.965 177.563 176.600 -0.003 0.000 1.066 433 E CA 0.132 56.528 56.400 -0.007 0.000 0.871 433 E CB 0.143 29.835 29.700 -0.013 0.000 0.863 433 E HN 0.467 nan 8.360 nan 0.000 0.520 434 G N 1.648 110.449 108.800 0.001 0.000 2.175 434 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.244 434 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.244 434 G C 0.209 175.113 174.900 0.005 0.000 0.982 434 G CA -0.326 44.776 45.100 0.003 0.000 0.641 434 G HN 0.099 nan 8.290 nan 0.000 0.527 435 R N 0.715 121.218 120.500 0.006 0.000 2.590 435 R HA 0.291 4.631 4.340 -0.000 0.000 0.274 435 R C -0.564 175.744 176.300 0.014 0.000 1.061 435 R CA -0.109 55.997 56.100 0.009 0.000 1.081 435 R CB 0.519 30.825 30.300 0.010 0.000 0.984 435 R HN 0.257 nan 8.270 nan 0.000 0.448 436 D N 3.176 123.586 120.400 0.015 0.000 2.411 436 D HA 0.073 4.713 4.640 -0.000 0.000 0.225 436 D C 1.117 177.431 176.300 0.025 0.000 1.156 436 D CA -0.187 53.823 54.000 0.017 0.000 0.874 436 D CB 0.595 41.404 40.800 0.014 0.000 1.034 436 D HN 0.417 nan 8.370 nan 0.000 0.502 437 L N 3.059 124.299 121.223 0.028 0.000 2.131 437 L HA -0.149 4.191 4.340 -0.000 0.000 0.210 437 L C 2.344 179.240 176.870 0.044 0.000 1.092 437 L CA 1.187 56.051 54.840 0.040 0.000 0.759 437 L CB -0.364 41.722 42.059 0.044 0.000 0.903 437 L HN 0.473 nan 8.230 nan 0.000 0.435 438 A N -0.039 122.801 122.820 0.033 0.000 1.933 438 A HA -0.203 4.116 4.320 -0.000 0.000 0.218 438 A C 2.350 179.954 177.584 0.034 0.000 1.175 438 A CA 1.670 53.726 52.037 0.031 0.000 0.628 438 A CB -0.295 18.715 19.000 0.017 0.000 0.814 438 A HN 0.261 nan 8.150 nan 0.000 0.444 439 R N -0.773 119.745 120.500 0.030 0.000 2.105 439 R HA 0.153 4.493 4.340 -0.000 0.000 0.214 439 R C 1.494 177.817 176.300 0.038 0.000 1.091 439 R CA 1.350 57.468 56.100 0.030 0.000 1.007 439 R CB -0.038 30.275 30.300 0.022 0.000 0.912 439 R HN 0.619 nan 8.270 nan 0.000 0.450 440 E N -0.992 119.233 120.200 0.041 0.000 2.498 440 E HA 0.152 4.502 4.350 -0.000 0.000 0.203 440 E C 1.451 178.089 176.600 0.063 0.000 1.013 440 E CA 0.260 56.688 56.400 0.046 0.000 0.927 440 E CB 0.739 30.459 29.700 0.034 0.000 1.012 440 E HN 0.391 nan 8.360 nan 0.000 0.482 441 G N 1.498 110.342 108.800 0.073 0.000 2.476 441 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.218 441 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.218 441 G C 1.537 176.519 174.900 0.135 0.000 1.164 441 G CA 0.954 46.111 45.100 0.095 0.000 0.768 441 G HN 0.399 nan 8.290 nan 0.000 0.560 442 G N 0.617 109.517 108.800 0.166 0.000 2.469 442 G HA2 -0.218 3.741 3.960 -0.000 0.000 0.220 442 G HA3 -0.218 3.741 3.960 -0.000 0.000 0.220 442 G C 1.493 176.522 174.900 0.214 0.000 1.136 442 G CA 1.422 46.673 45.100 0.252 0.000 0.759 442 G HN 0.363 nan 8.290 nan 0.000 0.562 443 D N 0.001 120.479 120.400 0.129 0.000 2.144 443 D HA -0.057 4.583 4.640 -0.000 0.000 0.200 443 D C 2.786 179.130 176.300 0.073 0.000 0.978 443 D CA 0.528 54.586 54.000 0.096 0.000 0.833 443 D CB -0.362 40.476 40.800 0.064 0.000 0.961 443 D HN 0.207 nan 8.370 nan 0.000 0.470 444 V N 1.556 121.506 119.914 0.060 0.000 2.287 444 V HA -0.225 3.895 4.120 -0.000 0.000 0.248 444 V C 2.455 178.555 176.094 0.009 0.000 1.053 444 V CA 1.050 63.368 62.300 0.029 0.000 1.027 444 V CB -0.266 31.572 31.823 0.025 0.000 0.646 444 V HN 0.179 nan 8.190 nan 0.000 0.447 445 I N -0.148 120.423 120.570 0.002 0.000 2.179 445 I HA -0.202 3.968 4.170 -0.000 0.000 0.242 445 I C 2.654 178.702 176.117 -0.115 0.000 1.088 445 I CA 1.652 62.880 61.300 -0.120 0.000 1.357 445 I CB -1.300 36.537 38.000 -0.272 0.000 1.051 445 I HN 0.309 nan 8.210 nan 0.000 0.409 446 R N 0.337 120.851 120.500 0.024 0.000 2.091 446 R HA -0.149 4.191 4.340 -0.000 0.000 0.238 446 R C 2.547 178.882 176.300 0.058 0.000 1.136 446 R CA 1.793 57.945 56.100 0.086 0.000 0.959 446 R CB -0.277 30.128 30.300 0.176 0.000 0.856 446 R HN 0.288 nan 8.270 nan 0.000 0.437 447 S N 0.389 116.120 115.700 0.052 0.000 2.356 447 S HA -0.163 4.307 4.470 -0.000 0.000 0.223 447 S C 2.029 176.682 174.600 0.088 0.000 1.032 447 S CA 1.330 59.565 58.200 0.058 0.000 1.005 447 S CB -0.190 63.028 63.200 0.030 0.000 0.867 447 S HN 0.508 nan 8.310 nan 0.000 0.449 448 A N 0.428 123.285 122.820 0.062 0.000 1.933 448 A HA -0.149 4.171 4.320 -0.000 0.000 0.218 448 A C 2.395 180.064 177.584 0.142 0.000 1.175 448 A CA 1.553 53.668 52.037 0.129 0.000 0.628 448 A CB -1.259 17.774 19.000 0.055 0.000 0.814 448 A HN 0.639 nan 8.150 nan 0.000 0.444 449 C N -0.507 118.807 119.300 0.023 0.000 2.413 449 C HA -0.090 4.370 4.460 -0.000 0.000 0.276 449 C C 2.668 177.681 174.990 0.038 0.000 1.248 449 C CA 1.281 60.293 59.018 -0.010 0.000 1.742 449 C CB -0.856 26.858 27.740 -0.042 0.000 2.017 449 C HN 0.604 nan 8.230 nan 0.000 0.481 450 K N -0.776 119.674 120.400 0.084 0.000 2.147 450 K HA -0.187 4.133 4.320 -0.000 0.000 0.205 450 K C 1.865 178.544 176.600 0.132 0.000 1.049 450 K CA 1.526 57.869 56.287 0.094 0.000 0.936 450 K CB -0.222 32.341 32.500 0.104 0.000 0.722 450 K HN 0.784 nan 8.250 nan 0.000 0.446 451 W N 0.642 121.935 121.300 -0.012 0.000 2.588 451 W HA 0.107 4.766 4.660 -0.000 0.000 0.277 451 W C 0.443 176.960 176.519 -0.004 0.000 1.221 451 W CA 0.454 57.795 57.345 -0.007 0.000 1.355 451 W CB 0.195 29.648 29.460 -0.012 0.000 1.083 451 W HN -0.154 nan 8.180 nan 0.000 0.581 452 S N 1.016 116.584 115.700 -0.221 0.000 2.530 452 S HA 0.331 4.801 4.470 -0.000 0.000 0.322 452 S C -1.655 172.818 174.600 -0.211 0.000 1.085 452 S CA -1.594 56.346 58.200 -0.433 0.000 1.096 452 S CB 1.453 64.539 63.200 -0.190 0.000 0.988 452 S HN -0.131 nan 8.310 nan 0.000 0.466 453 P HA -0.027 nan 4.420 nan 0.000 0.217 453 P C 0.878 178.110 177.300 -0.113 0.000 1.150 453 P CA 0.993 64.085 63.100 -0.014 0.000 0.832 453 P CB 0.191 31.979 31.700 0.147 0.000 0.787 454 E N -0.460 119.669 120.200 -0.118 0.000 2.051 454 E HA -0.161 4.188 4.350 -0.000 0.000 0.192 454 E C 1.881 178.359 176.600 -0.203 0.000 0.991 454 E CA 0.821 57.063 56.400 -0.263 0.000 0.799 454 E CB -1.270 28.350 29.700 -0.133 0.000 0.748 454 E HN 0.101 nan 8.360 nan 0.000 0.449 455 L N 0.639 121.773 121.223 -0.148 0.000 2.017 455 L HA -0.081 4.259 4.340 -0.000 0.000 0.208 455 L C 2.089 178.845 176.870 -0.191 0.000 1.073 455 L CA 2.136 56.894 54.840 -0.137 0.000 0.745 455 L CB -1.066 40.935 42.059 -0.097 0.000 0.894 455 L HN 0.122 nan 8.230 nan 0.000 0.432 456 A N -0.271 122.445 122.820 -0.174 0.000 1.903 456 A HA -0.259 4.061 4.320 -0.000 0.000 0.219 456 A C 2.473 179.916 177.584 -0.235 0.000 1.191 456 A CA 2.469 54.412 52.037 -0.156 0.000 0.638 456 A CB -1.359 17.588 19.000 -0.088 0.000 0.823 456 A HN 0.629 nan 8.150 nan 0.000 0.451 457 A N -0.509 122.070 122.820 -0.400 0.000 1.902 457 A HA 0.150 4.470 4.320 -0.000 0.000 0.217 457 A C 2.505 179.685 177.584 -0.673 0.000 1.181 457 A CA 2.233 53.905 52.037 -0.609 0.000 0.623 457 A CB -0.968 17.321 19.000 -1.184 0.000 0.818 457 A HN 1.132 nan 8.150 nan 0.000 0.443 458 A N -1.107 121.359 122.820 -0.591 0.000 1.898 458 A HA -0.121 4.199 4.320 -0.000 0.000 0.216 458 A C 2.291 179.729 177.584 -0.243 0.000 1.181 458 A CA 1.512 53.251 52.037 -0.496 0.000 0.620 458 A CB -1.269 17.699 19.000 -0.053 0.000 0.819 458 A HN 0.584 nan 8.150 nan 0.000 0.442 459 C N -0.600 118.597 119.300 -0.172 0.000 2.413 459 C HA -0.099 4.361 4.460 -0.000 0.000 0.276 459 C C 2.747 177.871 174.990 0.223 0.000 1.248 459 C CA 1.301 60.327 59.018 0.014 0.000 1.742 459 C CB -1.028 26.626 27.740 -0.143 0.000 2.017 459 C HN 0.581 nan 8.230 nan 0.000 0.481 460 E N 0.438 120.622 120.200 -0.028 0.000 2.047 460 E HA -0.122 4.227 4.350 -0.000 0.000 0.191 460 E C 2.321 178.827 176.600 -0.158 0.000 0.987 460 E CA 0.991 57.355 56.400 -0.061 0.000 0.799 460 E CB -0.590 29.040 29.700 -0.117 0.000 0.752 460 E HN 0.475 nan 8.360 nan 0.000 0.449 461 V N -0.211 119.474 119.914 -0.382 0.000 2.343 461 V HA -0.197 3.923 4.120 -0.000 0.000 0.247 461 V C 1.551 177.355 176.094 -0.484 0.000 1.051 461 V CA 1.357 63.297 62.300 -0.599 0.000 1.036 461 V CB -0.308 30.824 31.823 -1.151 0.000 0.654 461 V HN 0.350 nan 8.190 nan 0.000 0.451 462 W N -0.530 120.705 121.300 -0.108 0.000 3.132 462 W HA 0.320 4.980 4.660 -0.000 0.000 0.364 462 W C 1.924 178.323 176.519 -0.198 0.000 1.129 462 W CA -0.832 56.363 57.345 -0.250 0.000 1.815 462 W CB -0.320 28.794 29.460 -0.576 0.000 1.099 462 W HN 0.256 nan 8.180 nan 0.000 0.605 463 K N 1.146 121.601 120.400 0.092 0.000 2.089 463 K HA -0.249 4.071 4.320 -0.000 0.000 0.210 463 K C 1.486 177.910 176.600 -0.294 0.000 1.048 463 K CA 1.859 58.029 56.287 -0.196 0.000 0.926 463 K CB 0.268 32.703 32.500 -0.109 0.000 0.714 463 K HN -0.159 nan 8.250 nan 0.000 0.448 464 E N 0.246 120.356 120.200 -0.150 0.000 2.285 464 E HA 0.005 4.355 4.350 -0.000 0.000 0.194 464 E C 0.026 176.557 176.600 -0.115 0.000 0.997 464 E CA 0.292 56.609 56.400 -0.138 0.000 0.845 464 E CB 0.146 29.789 29.700 -0.094 0.000 0.782 464 E HN 0.217 nan 8.360 nan 0.000 0.491 465 I N 1.910 122.441 120.570 -0.066 0.000 2.436 465 I HA 0.134 4.304 4.170 -0.000 0.000 0.289 465 I C 0.288 176.406 176.117 0.001 0.000 1.083 465 I CA 0.219 61.491 61.300 -0.046 0.000 1.372 465 I CB 0.112 38.126 38.000 0.025 0.000 1.408 465 I HN -0.148 nan 8.210 nan 0.000 0.516 466 K N 5.407 125.674 120.400 -0.221 0.000 2.443 466 K HA 0.611 4.931 4.320 -0.000 0.000 0.251 466 K C -1.421 174.913 176.600 -0.443 0.000 0.972 466 K CA -0.586 55.614 56.287 -0.145 0.000 0.833 466 K CB 2.500 34.955 32.500 -0.075 0.000 1.317 466 K HN 0.175 nan 8.250 nan 0.000 0.441 467 F N 1.547 121.609 119.950 0.186 0.000 2.552 467 F HA 0.296 4.823 4.527 -0.000 0.000 0.369 467 F C -0.449 175.450 175.800 0.165 0.000 1.112 467 F CA -0.517 57.615 58.000 0.220 0.000 1.129 467 F CB 1.459 40.606 39.000 0.246 0.000 1.360 467 F HN 0.303 nan 8.300 nan 0.000 0.473 468 E N 3.392 123.620 120.200 0.047 0.000 2.186 468 E HA 0.552 4.902 4.350 -0.000 0.000 0.255 468 E C -1.253 175.171 176.600 -0.294 0.000 0.881 468 E CA -0.369 56.006 56.400 -0.042 0.000 0.752 468 E CB 1.478 31.128 29.700 -0.083 0.000 1.176 468 E HN 0.318 nan 8.360 nan 0.000 0.421 469 F N 0.535 120.535 119.950 0.083 0.000 2.613 469 F HA 0.209 4.736 4.527 -0.000 0.000 0.314 469 F C 0.051 175.883 175.800 0.053 0.000 1.075 469 F CA -1.215 56.825 58.000 0.067 0.000 0.945 469 F CB 1.475 40.522 39.000 0.077 0.000 1.310 469 F HN 0.228 nan 8.300 nan 0.000 0.467 470 D N 1.013 121.565 120.400 0.253 0.000 2.450 470 D HA 0.124 4.764 4.640 -0.000 0.000 0.247 470 D C -0.410 175.977 176.300 0.144 0.000 1.162 470 D CA 0.375 54.467 54.000 0.153 0.000 0.879 470 D CB 0.773 41.644 40.800 0.118 0.000 1.163 470 D HN 0.413 nan 8.370 nan 0.000 0.472 471 T N 5.718 120.338 114.554 0.111 0.000 2.870 471 T HA 0.075 4.424 4.350 -0.000 0.000 0.300 471 T C 1.448 176.194 174.700 0.078 0.000 0.989 471 T CA -0.694 61.463 62.100 0.094 0.000 1.139 471 T CB 0.727 69.647 68.868 0.087 0.000 0.920 471 T HN 0.304 nan 8.240 nan 0.000 0.537 472 I N 1.705 122.315 120.570 0.067 0.000 2.296 472 I HA 0.024 4.194 4.170 -0.000 0.000 0.242 472 I C 1.493 177.653 176.117 0.072 0.000 1.087 472 I CA 0.843 62.177 61.300 0.058 0.000 1.393 472 I CB -0.770 37.251 38.000 0.036 0.000 1.093 472 I HN 0.575 nan 8.210 nan 0.000 0.421 473 D N 2.769 123.217 120.400 0.080 0.000 2.671 473 D HA 0.037 4.677 4.640 -0.000 0.000 0.228 473 D C 0.175 176.560 176.300 0.142 0.000 1.102 473 D CA 0.176 54.245 54.000 0.114 0.000 1.044 473 D CB -0.326 40.537 40.800 0.105 0.000 1.113 473 D HN 0.062 nan 8.370 nan 0.000 0.480 474 K N 1.277 121.747 120.400 0.117 0.000 2.154 474 K HA 0.310 4.630 4.320 -0.000 0.000 0.264 474 K C 0.666 177.338 176.600 0.121 0.000 1.008 474 K CA -0.764 55.586 56.287 0.105 0.000 0.937 474 K CB 1.247 33.793 32.500 0.077 0.000 1.002 474 K HN 0.269 nan 8.250 nan 0.000 0.469 475 L N 0.000 121.284 121.223 0.101 0.000 2.949 475 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 475 L CA 0.000 54.893 54.840 0.089 0.000 0.813 475 L CB 0.000 42.085 42.059 0.044 0.000 0.961 475 L HN 0.000 nan 8.230 nan 0.000 0.502