REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 2v68_1_G DATA FIRST_RESID 10 DATA SEQUENCE GAGFKAGVKD YRLTYYTPDY VVRDTDILAA FRMTPQPGVP PEECGAAVAA DATA SEQUENCE ESSTGTWTTV WTDGLTSLDR YKGRCYDIEP VPGEDNQYIA YVAYXIDLFE DATA SEQUENCE EGSVTNMFTS IVGNVFGFKA LRALRLEDLR IPPAYVKTFV GXPHGIQVER DATA SEQUENCE DKLNKYGRGL LGCTIKPKLG LSAKNYGRAV YECLRGGLDF TXDDENVNSQ DATA SEQUENCE PFMRWRDRFL FVAEAIYKAQ AETGEVKGHY LNATAGTCEE MMKRAVXAKE DATA SEQUENCE LGVPIIMHDY LTGGFTANTS LAIYCRDNGL LLHIHRAMHA VIDRQRNHGI DATA SEQUENCE HFRVLAKALR MSGGDHLHSG TAVGKLEGER EVILGFVDLM RDDYVEKDRS DATA SEQUENCE RGIYFTQDWX SMPGVMPVAS GGIHVWHMPA LVEIFGDDAC LQFGGGTLGH DATA SEQUENCE PWGNAPGAAA NRVALEACTQ ARNEGRDLAR EGGDVIRSAC KWSPELAAAC DATA SEQUENCE EVWKEIKFEF DTIDKL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 10 G HA2 0.000 nan 3.960 nan 0.000 0.244 10 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 10 G C 0.000 174.910 174.900 0.016 0.000 0.946 10 G CA 0.000 45.107 45.100 0.011 0.000 0.502 11 A N 0.206 123.038 122.820 0.020 0.000 2.484 11 A HA 0.652 4.972 4.320 -0.000 0.000 0.268 11 A C 0.809 178.423 177.584 0.050 0.000 1.114 11 A CA 1.099 53.153 52.037 0.028 0.000 0.780 11 A CB -0.303 18.712 19.000 0.024 0.000 1.061 11 A HN 1.837 nan 8.150 nan 0.000 0.505 12 G N 0.639 109.474 108.800 0.058 0.000 3.016 12 G HA2 0.533 4.493 3.960 -0.000 0.000 0.270 12 G HA3 0.533 4.493 3.960 -0.000 0.000 0.270 12 G C -0.697 174.301 174.900 0.163 0.000 1.352 12 G CA -0.701 44.459 45.100 0.100 0.000 1.060 12 G HN 0.699 nan 8.290 nan 0.000 0.538 13 F N 1.159 121.132 119.950 0.038 0.000 2.445 13 F HA 0.555 5.082 4.527 -0.000 0.000 0.359 13 F C 0.218 176.035 175.800 0.028 0.000 1.101 13 F CA -0.961 57.072 58.000 0.055 0.000 1.177 13 F CB 1.039 40.101 39.000 0.103 0.000 1.110 13 F HN 0.077 nan 8.300 nan 0.000 0.522 14 K N 6.205 126.357 120.400 -0.413 0.000 2.507 14 K HA 0.556 4.876 4.320 -0.000 0.000 0.253 14 K C -0.783 175.394 176.600 -0.704 0.000 0.969 14 K CA -0.582 55.370 56.287 -0.560 0.000 0.908 14 K CB 1.311 33.674 32.500 -0.228 0.000 1.127 14 K HN 0.830 nan 8.250 nan 0.000 0.437 15 A N 2.295 124.531 122.820 -0.974 0.000 2.498 15 A HA 0.545 4.865 4.320 -0.000 0.000 0.239 15 A C 0.543 177.995 177.584 -0.221 0.000 1.068 15 A CA 1.049 52.784 52.037 -0.503 0.000 0.766 15 A CB -0.018 18.791 19.000 -0.319 0.000 1.003 15 A HN 0.943 nan 8.150 nan 0.000 0.497 16 G N -0.680 108.045 108.800 -0.125 0.000 2.381 16 G HA2 0.311 4.271 3.960 -0.000 0.000 0.672 16 G HA3 0.311 4.271 3.960 -0.000 0.000 0.672 16 G C -0.947 173.896 174.900 -0.095 0.000 1.324 16 G CA -0.446 44.600 45.100 -0.091 0.000 0.975 16 G HN 1.438 nan 8.290 nan 0.000 0.593 17 V N 1.626 121.511 119.914 -0.049 0.000 2.465 17 V HA 0.621 4.741 4.120 -0.000 0.000 0.279 17 V C 0.706 176.770 176.094 -0.051 0.000 1.045 17 V CA 0.509 62.783 62.300 -0.043 0.000 0.938 17 V CB 1.082 32.948 31.823 0.071 0.000 0.986 17 V HN 1.029 nan 8.190 nan 0.000 0.467 18 K N 2.198 122.547 120.400 -0.086 0.000 2.395 18 K HA 0.635 4.955 4.320 -0.000 0.000 0.245 18 K C -1.255 175.279 176.600 -0.111 0.000 1.017 18 K CA -1.094 55.152 56.287 -0.069 0.000 0.852 18 K CB 1.581 34.054 32.500 -0.045 0.000 1.311 18 K HN 0.316 nan 8.250 nan 0.000 0.452 19 D N 0.981 121.348 120.400 -0.054 0.000 2.455 19 D HA 0.008 4.647 4.640 -0.000 0.000 0.241 19 D C 0.589 176.890 176.300 0.003 0.000 1.138 19 D CA 0.234 54.215 54.000 -0.031 0.000 0.877 19 D CB 0.198 41.013 40.800 0.026 0.000 1.187 19 D HN 0.454 nan 8.370 nan 0.000 0.451 20 Y N 1.414 121.764 120.300 0.084 0.000 2.207 20 Y HA -0.231 4.319 4.550 -0.000 0.000 0.287 20 Y C 2.399 178.419 175.900 0.200 0.000 1.156 20 Y CA 1.300 59.485 58.100 0.141 0.000 1.182 20 Y CB -0.296 38.177 38.460 0.022 0.000 0.979 20 Y HN 0.469 nan 8.280 nan 0.000 0.521 21 R N 0.490 121.150 120.500 0.266 0.000 2.241 21 R HA -0.120 4.220 4.340 -0.000 0.000 0.224 21 R C 1.530 177.945 176.300 0.192 0.000 1.101 21 R CA 1.457 57.689 56.100 0.221 0.000 0.995 21 R CB -0.954 29.413 30.300 0.111 0.000 0.870 21 R HN 0.372 nan 8.270 nan 0.000 0.463 22 L N 0.628 121.932 121.223 0.134 0.000 2.291 22 L HA -0.016 4.324 4.340 -0.000 0.000 0.214 22 L C 1.385 178.266 176.870 0.019 0.000 1.120 22 L CA 1.227 56.109 54.840 0.070 0.000 0.799 22 L CB -0.056 42.028 42.059 0.042 0.000 0.925 22 L HN 0.287 nan 8.230 nan 0.000 0.446 23 T N -3.105 111.454 114.554 0.009 0.000 3.019 23 T HA 0.057 4.407 4.350 -0.000 0.000 0.247 23 T C 0.980 175.462 174.700 -0.363 0.000 0.992 23 T CA 0.263 62.217 62.100 -0.242 0.000 1.036 23 T CB 0.143 68.755 68.868 -0.426 0.000 1.063 23 T HN 0.108 nan 8.240 nan 0.000 0.476 24 Y N -0.266 120.072 120.300 0.063 0.000 2.467 24 Y HA 0.423 4.973 4.550 -0.000 0.000 0.250 24 Y C -0.015 175.931 175.900 0.077 0.000 1.155 24 Y CA -1.150 56.970 58.100 0.032 0.000 1.249 24 Y CB 0.466 38.941 38.460 0.024 0.000 1.146 24 Y HN 0.173 nan 8.280 nan 0.000 0.524 25 Y N 2.225 122.571 120.300 0.077 0.000 2.417 25 Y HA 0.410 4.960 4.550 -0.000 0.000 0.336 25 Y C 0.000 175.918 175.900 0.030 0.000 0.961 25 Y CA -1.486 56.640 58.100 0.043 0.000 1.215 25 Y CB 0.666 39.146 38.460 0.034 0.000 1.120 25 Y HN 0.041 nan 8.280 nan 0.000 0.499 26 T N 5.392 119.745 114.554 -0.334 0.000 3.410 26 T HA 0.270 4.620 4.350 -0.000 0.000 0.328 26 T C -2.337 172.212 174.700 -0.252 0.000 1.567 26 T CA -1.755 60.191 62.100 -0.258 0.000 1.626 26 T CB 0.955 69.748 68.868 -0.125 0.000 0.939 26 T HN 0.452 nan 8.240 nan 0.000 0.656 27 P HA 0.051 nan 4.420 nan 0.000 0.230 27 P C 0.219 177.488 177.300 -0.051 0.000 1.158 27 P CA 0.738 63.653 63.100 -0.308 0.000 0.769 27 P CB 0.242 31.693 31.700 -0.414 0.000 0.807 28 D N -1.958 118.420 120.400 -0.036 0.000 2.363 28 D HA 0.013 4.653 4.640 -0.000 0.000 0.214 28 D C 0.360 176.684 176.300 0.040 0.000 1.093 28 D CA -0.361 53.641 54.000 0.003 0.000 0.837 28 D CB -0.464 40.327 40.800 -0.015 0.000 0.948 28 D HN 0.183 nan 8.370 nan 0.000 0.507 29 Y N 1.848 122.115 120.300 -0.055 0.000 2.526 29 Y HA 0.124 4.674 4.550 -0.000 0.000 0.330 29 Y C -0.168 175.668 175.900 -0.107 0.000 1.156 29 Y CA -0.226 57.830 58.100 -0.074 0.000 1.419 29 Y CB 0.614 39.036 38.460 -0.063 0.000 1.250 29 Y HN -0.331 nan 8.280 nan 0.000 0.540 30 V N 8.567 128.029 119.914 -0.753 0.000 2.364 30 V HA 0.205 4.325 4.120 -0.000 0.000 0.272 30 V C -0.221 175.208 176.094 -1.108 0.000 1.036 30 V CA -0.804 61.082 62.300 -0.691 0.000 0.880 30 V CB 0.713 32.303 31.823 -0.389 0.000 0.991 30 V HN 0.752 nan 8.190 nan 0.000 0.460 31 V N 4.521 123.936 119.914 -0.831 0.000 2.763 31 V HA 0.368 4.488 4.120 -0.000 0.000 0.306 31 V C 0.434 176.300 176.094 -0.380 0.000 1.059 31 V CA -0.412 61.510 62.300 -0.631 0.000 1.138 31 V CB 0.128 31.657 31.823 -0.489 0.000 0.940 31 V HN 0.860 nan 8.190 nan 0.000 0.489 32 R N 2.970 123.338 120.500 -0.220 0.000 2.500 32 R HA 0.361 4.701 4.340 -0.000 0.000 0.277 32 R C 0.205 176.456 176.300 -0.082 0.000 1.026 32 R CA -0.599 55.428 56.100 -0.122 0.000 1.058 32 R CB 0.666 30.938 30.300 -0.047 0.000 1.078 32 R HN 0.741 nan 8.270 nan 0.000 0.509 33 D N 0.587 120.950 120.400 -0.062 0.000 2.371 33 D HA -0.089 4.551 4.640 -0.000 0.000 0.221 33 D C 1.335 177.620 176.300 -0.024 0.000 0.986 33 D CA 1.311 55.285 54.000 -0.043 0.000 0.899 33 D CB 0.142 40.924 40.800 -0.029 0.000 0.902 33 D HN 0.640 nan 8.370 nan 0.000 0.530 34 T N -2.788 111.760 114.554 -0.009 0.000 3.069 34 T HA 0.046 4.396 4.350 -0.000 0.000 0.252 34 T C 0.494 175.205 174.700 0.018 0.000 1.053 34 T CA -0.522 61.587 62.100 0.015 0.000 0.964 34 T CB 0.417 69.305 68.868 0.033 0.000 1.005 34 T HN -0.244 nan 8.240 nan 0.000 0.532 35 D N 1.706 122.112 120.400 0.010 0.000 2.382 35 D HA 0.351 4.991 4.640 -0.000 0.000 0.245 35 D C -0.160 176.136 176.300 -0.006 0.000 1.120 35 D CA -0.480 53.547 54.000 0.045 0.000 0.890 35 D CB 0.770 41.604 40.800 0.057 0.000 1.201 35 D HN 0.190 nan 8.370 nan 0.000 0.433 36 I N 2.072 122.662 120.570 0.032 0.000 2.416 36 I HA 0.124 4.294 4.170 -0.000 0.000 0.288 36 I C 0.079 176.243 176.117 0.078 0.000 1.051 36 I CA -0.074 61.190 61.300 -0.060 0.000 1.375 36 I CB 0.445 38.282 38.000 -0.273 0.000 1.407 36 I HN 0.049 nan 8.210 nan 0.000 0.516 37 L N 6.131 127.267 121.223 -0.146 0.000 2.334 37 L HA 0.882 5.222 4.340 -0.000 0.000 0.276 37 L C -0.090 176.670 176.870 -0.184 0.000 1.014 37 L CA -0.810 53.937 54.840 -0.154 0.000 0.815 37 L CB 1.584 43.345 42.059 -0.496 0.000 1.268 37 L HN 0.655 nan 8.230 nan 0.000 0.428 38 A N 1.997 124.920 122.820 0.172 0.000 2.371 38 A HA 0.861 5.180 4.320 -0.000 0.000 0.311 38 A C -0.636 177.059 177.584 0.186 0.000 1.068 38 A CA -0.535 51.564 52.037 0.104 0.000 0.744 38 A CB 1.683 20.748 19.000 0.109 0.000 1.239 38 A HN 0.755 nan 8.150 nan 0.000 0.435 39 A N 2.004 124.827 122.820 0.005 0.000 2.273 39 A HA 0.707 5.027 4.320 -0.000 0.000 0.320 39 A C -1.156 176.128 177.584 -0.501 0.000 1.358 39 A CA -0.267 51.566 52.037 -0.339 0.000 0.910 39 A CB -0.241 18.447 19.000 -0.520 0.000 1.159 39 A HN 0.622 nan 8.150 nan 0.000 0.526 40 F N 1.720 121.499 119.950 -0.285 0.000 2.404 40 F HA 0.417 4.944 4.527 -0.000 0.000 0.354 40 F C 1.002 176.675 175.800 -0.212 0.000 1.122 40 F CA -0.276 57.590 58.000 -0.225 0.000 1.080 40 F CB 1.497 40.369 39.000 -0.213 0.000 1.131 40 F HN 0.595 nan 8.300 nan 0.000 0.471 41 R N 5.658 126.158 120.500 0.000 0.000 2.248 41 R HA 0.362 4.702 4.340 -0.000 0.000 0.337 41 R C -0.724 175.603 176.300 0.044 0.000 1.085 41 R CA -0.163 55.949 56.100 0.020 0.000 0.934 41 R CB 0.398 30.711 30.300 0.021 0.000 1.034 41 R HN 0.822 nan 8.270 nan 0.000 0.465 42 M N 3.745 123.379 119.600 0.055 0.000 2.311 42 M HA 0.306 4.786 4.480 -0.000 0.000 0.325 42 M C -1.310 175.047 176.300 0.094 0.000 1.061 42 M CA -0.279 55.040 55.300 0.031 0.000 0.957 42 M CB 2.283 34.875 32.600 -0.012 0.000 1.646 42 M HN 0.392 nan 8.290 nan 0.000 0.434 43 T N 6.094 120.689 114.554 0.068 0.000 2.963 43 T HA 0.467 4.817 4.350 -0.000 0.000 0.343 43 T C -2.665 172.078 174.700 0.072 0.000 1.146 43 T CA -1.114 61.040 62.100 0.090 0.000 1.016 43 T CB 0.732 69.645 68.868 0.075 0.000 1.046 43 T HN 0.453 nan 8.240 nan 0.000 0.496 44 P HA 0.159 nan 4.420 nan 0.000 0.272 44 P C 0.112 177.440 177.300 0.046 0.000 1.223 44 P CA -0.602 62.521 63.100 0.038 0.000 0.784 44 P CB 0.587 32.297 31.700 0.017 0.000 0.923 45 Q N 2.264 122.083 119.800 0.032 0.000 2.421 45 Q HA 0.162 4.501 4.340 -0.000 0.000 0.255 45 Q C -1.915 174.103 176.000 0.030 0.000 1.013 45 Q CA -1.370 54.452 55.803 0.032 0.000 0.895 45 Q CB -0.594 28.162 28.738 0.030 0.000 1.271 45 Q HN 0.355 nan 8.270 nan 0.000 0.460 46 P HA -0.071 nan 4.420 nan 0.000 0.262 46 P C 0.549 177.860 177.300 0.019 0.000 1.182 46 P CA 1.024 64.139 63.100 0.026 0.000 0.761 46 P CB 0.252 31.965 31.700 0.022 0.000 0.795 47 G N 1.405 110.214 108.800 0.015 0.000 2.195 47 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.246 47 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.246 47 G C -0.109 174.792 174.900 0.001 0.000 0.984 47 G CA -0.075 45.030 45.100 0.009 0.000 0.633 47 G HN 0.544 nan 8.290 nan 0.000 0.525 48 V N 2.562 122.474 119.914 -0.002 0.000 2.333 48 V HA 0.461 4.581 4.120 -0.000 0.000 0.274 48 V C -1.561 174.497 176.094 -0.060 0.000 1.028 48 V CA -1.616 60.672 62.300 -0.019 0.000 0.851 48 V CB 1.344 33.162 31.823 -0.009 0.000 1.000 48 V HN 0.133 nan 8.190 nan 0.000 0.456 49 P HA 0.167 nan 4.420 nan 0.000 0.267 49 P C -2.066 175.089 177.300 -0.241 0.000 1.200 49 P CA -1.180 61.832 63.100 -0.146 0.000 0.772 49 P CB 0.189 31.808 31.700 -0.134 0.000 0.855 50 P HA -0.191 nan 4.420 nan 0.000 0.216 50 P C 1.056 178.084 177.300 -0.455 0.000 1.150 50 P CA 1.506 64.260 63.100 -0.576 0.000 0.837 50 P CB 0.056 31.128 31.700 -1.046 0.000 0.786 51 E N -0.459 119.452 120.200 -0.482 0.000 2.077 51 E HA -0.210 4.140 4.350 -0.000 0.000 0.193 51 E C 2.029 178.388 176.600 -0.402 0.000 0.989 51 E CA 1.180 57.177 56.400 -0.672 0.000 0.800 51 E CB -0.688 28.485 29.700 -0.879 0.000 0.746 51 E HN 0.263 nan 8.360 nan 0.000 0.452 52 E N 0.002 120.057 120.200 -0.241 0.000 2.107 52 E HA -0.122 4.228 4.350 -0.000 0.000 0.191 52 E C 1.866 178.398 176.600 -0.114 0.000 0.982 52 E CA 0.880 57.223 56.400 -0.095 0.000 0.809 52 E CB -0.497 29.183 29.700 -0.033 0.000 0.756 52 E HN 0.296 nan 8.360 nan 0.000 0.459 53 C N -0.392 118.803 119.300 -0.176 0.000 2.453 53 C HA 0.068 4.528 4.460 -0.000 0.000 0.277 53 C C 2.682 177.504 174.990 -0.281 0.000 1.262 53 C CA 1.359 60.252 59.018 -0.209 0.000 1.718 53 C CB -1.367 26.262 27.740 -0.184 0.000 2.031 53 C HN 0.642 nan 8.230 nan 0.000 0.480 54 G N -0.088 108.558 108.800 -0.256 0.000 2.440 54 G HA2 -0.071 3.889 3.960 -0.000 0.000 0.218 54 G HA3 -0.071 3.889 3.960 -0.000 0.000 0.218 54 G C 1.932 176.706 174.900 -0.211 0.000 1.154 54 G CA 1.112 46.075 45.100 -0.229 0.000 0.767 54 G HN 0.719 nan 8.290 nan 0.000 0.552 55 A N 1.050 123.785 122.820 -0.142 0.000 1.930 55 A HA 0.346 4.666 4.320 -0.000 0.000 0.217 55 A C 2.803 180.191 177.584 -0.327 0.000 1.175 55 A CA 2.054 54.059 52.037 -0.052 0.000 0.627 55 A CB -0.700 18.382 19.000 0.136 0.000 0.815 55 A HN 0.740 nan 8.150 nan 0.000 0.443 56 A N -0.443 122.052 122.820 -0.541 0.000 1.902 56 A HA -0.017 4.303 4.320 -0.000 0.000 0.217 56 A C 2.225 179.193 177.584 -1.027 0.000 1.181 56 A CA 1.807 53.121 52.037 -1.204 0.000 0.623 56 A CB -0.963 17.471 19.000 -0.944 0.000 0.818 56 A HN 0.375 nan 8.150 nan 0.000 0.443 57 V N -0.126 119.337 119.914 -0.752 0.000 2.295 57 V HA -0.268 3.852 4.120 -0.000 0.000 0.246 57 V C 3.067 178.822 176.094 -0.565 0.000 1.049 57 V CA 2.037 63.894 62.300 -0.739 0.000 1.024 57 V CB -1.263 30.062 31.823 -0.830 0.000 0.648 57 V HN 0.629 nan 8.190 nan 0.000 0.447 58 A N -0.080 122.477 122.820 -0.438 0.000 1.877 58 A HA -0.124 4.196 4.320 -0.000 0.000 0.216 58 A C 2.438 179.812 177.584 -0.350 0.000 1.186 58 A CA 2.193 54.059 52.037 -0.285 0.000 0.620 58 A CB -0.870 18.044 19.000 -0.142 0.000 0.822 58 A HN 0.573 nan 8.150 nan 0.000 0.443 59 A N -0.496 121.903 122.820 -0.702 0.000 1.877 59 A HA -0.153 4.167 4.320 -0.000 0.000 0.216 59 A C 1.867 179.113 177.584 -0.564 0.000 1.186 59 A CA 1.624 52.971 52.037 -1.152 0.000 0.620 59 A CB -0.402 17.738 19.000 -1.434 0.000 0.822 59 A HN 0.500 nan 8.150 nan 0.000 0.443 60 E N 0.129 120.013 120.200 -0.526 0.000 2.489 60 E HA -0.014 4.336 4.350 -0.000 0.000 0.193 60 E C 1.357 177.874 176.600 -0.140 0.000 1.057 60 E CA 0.808 57.029 56.400 -0.299 0.000 0.866 60 E CB 0.015 29.448 29.700 -0.445 0.000 0.916 60 E HN 0.722 nan 8.360 nan 0.000 0.500 61 S N -0.837 114.796 115.700 -0.112 0.000 2.554 61 S HA 0.118 4.588 4.470 -0.000 0.000 0.226 61 S C 1.430 176.112 174.600 0.136 0.000 0.980 61 S CA 0.250 58.483 58.200 0.056 0.000 0.939 61 S CB 0.337 63.632 63.200 0.159 0.000 0.832 61 S HN 0.139 nan 8.310 nan 0.000 0.486 62 S N 1.576 117.316 115.700 0.066 0.000 3.889 62 S HA 0.178 4.648 4.470 -0.000 0.000 0.185 62 S C 1.401 176.024 174.600 0.038 0.000 0.937 62 S CA 0.623 58.880 58.200 0.095 0.000 0.985 62 S CB -0.193 63.116 63.200 0.182 0.000 1.299 62 S HN 0.536 nan 8.310 nan 0.000 0.673 63 T N -1.147 113.444 114.554 0.062 0.000 2.969 63 T HA 0.460 4.810 4.350 -0.000 0.000 0.258 63 T C 0.818 175.565 174.700 0.078 0.000 0.962 63 T CA 0.400 62.550 62.100 0.084 0.000 0.903 63 T CB 0.060 69.031 68.868 0.173 0.000 1.177 63 T HN 0.711 nan 8.240 nan 0.000 0.511 64 G N 0.452 109.250 108.800 -0.004 0.000 2.412 64 G HA2 0.545 4.505 3.960 -0.000 0.000 0.318 64 G HA3 0.545 4.505 3.960 -0.000 0.000 0.318 64 G C -0.734 174.208 174.900 0.071 0.000 1.146 64 G CA -0.211 44.902 45.100 0.022 0.000 0.882 64 G HN 0.280 nan 8.290 nan 0.000 0.501 65 T N -0.550 114.078 114.554 0.124 0.000 2.676 65 T HA 0.424 4.774 4.350 -0.000 0.000 0.269 65 T C 0.908 175.743 174.700 0.226 0.000 0.952 65 T CA -0.511 61.706 62.100 0.196 0.000 1.040 65 T CB 0.765 69.699 68.868 0.111 0.000 1.352 65 T HN 0.672 nan 8.240 nan 0.000 0.554 66 W N 0.575 121.973 121.300 0.164 0.000 2.678 66 W HA 0.265 4.925 4.660 -0.000 0.000 0.256 66 W C 0.364 176.860 176.519 -0.038 0.000 1.280 66 W CA 0.436 57.834 57.345 0.089 0.000 1.345 66 W CB -0.995 28.538 29.460 0.123 0.000 1.118 66 W HN 0.517 nan 8.180 nan 0.000 0.629 67 T N 0.859 114.987 114.554 -0.711 0.000 2.883 67 T HA 0.353 4.703 4.350 -0.000 0.000 0.296 67 T C -0.489 173.999 174.700 -0.355 0.000 1.117 67 T CA -0.326 61.368 62.100 -0.677 0.000 1.006 67 T CB 1.917 69.999 68.868 -1.310 0.000 1.191 67 T HN -0.229 nan 8.240 nan 0.000 0.508 68 T N 2.385 116.833 114.554 -0.176 0.000 2.851 68 T HA 0.480 4.830 4.350 -0.000 0.000 0.298 68 T C 0.088 174.860 174.700 0.120 0.000 0.977 68 T CA -0.426 61.678 62.100 0.005 0.000 1.126 68 T CB 0.275 69.186 68.868 0.070 0.000 0.916 68 T HN 0.643 nan 8.240 nan 0.000 0.529 69 V N 3.130 123.069 119.914 0.042 0.000 2.513 69 V HA 0.481 4.601 4.120 -0.000 0.000 0.299 69 V C 1.164 177.113 176.094 -0.241 0.000 1.035 69 V CA -1.149 61.083 62.300 -0.113 0.000 0.889 69 V CB 1.293 32.966 31.823 -0.250 0.000 0.988 69 V HN 1.048 nan 8.190 nan 0.000 0.440 70 W N 2.685 123.553 121.300 -0.721 0.000 2.425 70 W HA -0.097 4.563 4.660 -0.000 0.000 0.277 70 W C 1.398 177.697 176.519 -0.367 0.000 1.231 70 W CA 1.439 58.227 57.345 -0.929 0.000 1.248 70 W CB -1.674 26.919 29.460 -1.446 0.000 1.117 70 W HN 0.751 nan 8.180 nan 0.000 0.568 71 T N -1.011 112.957 114.554 -0.976 0.000 2.962 71 T HA -0.194 4.156 4.350 -0.000 0.000 0.270 71 T C 1.102 175.589 174.700 -0.355 0.000 1.088 71 T CA 1.491 63.055 62.100 -0.894 0.000 1.127 71 T CB -0.613 67.626 68.868 -1.050 0.000 0.883 71 T HN -0.099 nan 8.240 nan 0.000 0.493 72 D N 2.141 122.402 120.400 -0.231 0.000 2.172 72 D HA -0.071 4.569 4.640 -0.000 0.000 0.196 72 D C 2.273 178.555 176.300 -0.031 0.000 0.999 72 D CA 1.513 55.459 54.000 -0.090 0.000 0.856 72 D CB -0.876 39.907 40.800 -0.028 0.000 0.934 72 D HN 0.614 nan 8.370 nan 0.000 0.453 73 G N -0.213 108.588 108.800 0.001 0.000 2.650 73 G HA2 -0.081 3.879 3.960 -0.000 0.000 0.214 73 G HA3 -0.081 3.879 3.960 -0.000 0.000 0.214 73 G C 1.584 176.512 174.900 0.048 0.000 1.136 73 G CA -0.090 45.039 45.100 0.049 0.000 0.789 73 G HN 0.267 nan 8.290 nan 0.000 0.536 74 L N -0.192 121.044 121.223 0.022 0.000 2.313 74 L HA 0.138 4.478 4.340 -0.000 0.000 0.214 74 L C 1.728 178.608 176.870 0.016 0.000 1.119 74 L CA 0.547 55.403 54.840 0.026 0.000 0.809 74 L CB -0.011 42.049 42.059 0.001 0.000 0.933 74 L HN 0.221 nan 8.230 nan 0.000 0.449 75 T N -2.403 112.158 114.554 0.011 0.000 2.762 75 T HA 0.282 4.632 4.350 -0.000 0.000 0.272 75 T C -0.443 174.310 174.700 0.087 0.000 0.982 75 T CA -0.447 61.686 62.100 0.054 0.000 1.013 75 T CB 1.967 70.845 68.868 0.017 0.000 1.309 75 T HN -0.125 nan 8.240 nan 0.000 0.572 76 S N 1.613 117.413 115.700 0.167 0.000 2.601 76 S HA 0.364 4.833 4.470 -0.000 0.000 0.312 76 S C 0.860 175.530 174.600 0.117 0.000 1.107 76 S CA -0.703 57.553 58.200 0.094 0.000 1.129 76 S CB 0.304 63.517 63.200 0.022 0.000 0.982 76 S HN 0.568 nan 8.310 nan 0.000 0.469 77 L N 4.392 125.652 121.223 0.063 0.000 2.083 77 L HA 0.003 4.343 4.340 -0.000 0.000 0.209 77 L C 1.738 178.587 176.870 -0.035 0.000 1.083 77 L CA 1.936 56.800 54.840 0.040 0.000 0.752 77 L CB -0.492 41.555 42.059 -0.021 0.000 0.899 77 L HN 0.593 nan 8.230 nan 0.000 0.433 78 D N -0.896 119.458 120.400 -0.077 0.000 2.133 78 D HA -0.248 4.392 4.640 -0.000 0.000 0.195 78 D C 2.307 178.518 176.300 -0.148 0.000 0.997 78 D CA 1.174 55.104 54.000 -0.116 0.000 0.840 78 D CB -0.130 40.615 40.800 -0.091 0.000 0.947 78 D HN 0.296 nan 8.370 nan 0.000 0.452 79 R N -0.940 119.438 120.500 -0.202 0.000 2.092 79 R HA -0.125 4.215 4.340 -0.000 0.000 0.231 79 R C 1.460 177.467 176.300 -0.488 0.000 1.119 79 R CA 1.128 56.983 56.100 -0.409 0.000 0.970 79 R CB 0.026 29.934 30.300 -0.653 0.000 0.864 79 R HN 0.255 nan 8.270 nan 0.000 0.440 80 Y N 0.315 120.591 120.300 -0.040 0.000 2.535 80 Y HA 0.138 4.688 4.550 -0.000 0.000 0.266 80 Y C 0.193 176.082 175.900 -0.017 0.000 1.088 80 Y CA -0.258 57.824 58.100 -0.031 0.000 1.285 80 Y CB 0.163 38.604 38.460 -0.032 0.000 1.166 80 Y HN -0.075 nan 8.280 nan 0.000 0.525 81 K N 1.477 121.934 120.400 0.095 0.000 2.436 81 K HA 0.265 4.585 4.320 -0.000 0.000 0.275 81 K C 0.593 177.223 176.600 0.049 0.000 0.999 81 K CA 0.171 56.528 56.287 0.118 0.000 0.980 81 K CB 0.555 33.045 32.500 -0.017 0.000 0.919 81 K HN 0.152 nan 8.250 nan 0.000 0.484 82 G N 2.638 111.502 108.800 0.107 0.000 2.544 82 G HA2 0.200 4.160 3.960 -0.000 0.000 0.242 82 G HA3 0.200 4.160 3.960 -0.000 0.000 0.242 82 G C -0.785 174.079 174.900 -0.060 0.000 1.247 82 G CA -0.842 44.196 45.100 -0.102 0.000 0.840 82 G HN 0.664 nan 8.290 nan 0.000 0.578 83 R N 0.305 120.699 120.500 -0.177 0.000 2.514 83 R HA 0.277 4.617 4.340 -0.000 0.000 0.296 83 R C -0.968 175.356 176.300 0.040 0.000 1.012 83 R CA -0.643 55.400 56.100 -0.095 0.000 0.897 83 R CB 1.765 31.863 30.300 -0.337 0.000 1.184 83 R HN 0.536 nan 8.270 nan 0.000 0.440 84 C N 5.240 124.588 119.300 0.080 0.000 2.520 84 C HA 0.191 4.651 4.460 -0.000 0.000 0.369 84 C C 1.010 176.093 174.990 0.156 0.000 1.244 84 C CA -0.391 58.697 59.018 0.117 0.000 1.677 84 C CB -1.213 26.617 27.740 0.150 0.000 2.324 84 C HN 0.986 nan 8.230 nan 0.000 0.557 85 Y N 2.047 122.432 120.300 0.142 0.000 2.467 85 Y HA 0.534 5.084 4.550 -0.000 0.000 0.250 85 Y C 0.194 176.169 175.900 0.125 0.000 1.155 85 Y CA -0.440 57.720 58.100 0.100 0.000 1.249 85 Y CB 0.002 38.585 38.460 0.205 0.000 1.146 85 Y HN 0.533 nan 8.280 nan 0.000 0.524 86 D N 0.459 120.782 120.400 -0.128 0.000 2.745 86 D HA 0.431 5.071 4.640 -0.000 0.000 0.221 86 D C -1.746 174.667 176.300 0.188 0.000 1.237 86 D CA -0.384 53.632 54.000 0.027 0.000 0.781 86 D CB 1.772 42.498 40.800 -0.123 0.000 1.575 86 D HN 0.177 nan 8.370 nan 0.000 0.482 87 I N 2.328 123.032 120.570 0.224 0.000 2.468 87 I HA 0.276 4.446 4.170 -0.000 0.000 0.285 87 I C -0.298 175.958 176.117 0.231 0.000 1.039 87 I CA -0.587 60.837 61.300 0.207 0.000 1.074 87 I CB 1.947 39.999 38.000 0.088 0.000 1.228 87 I HN 0.159 nan 8.210 nan 0.000 0.436 88 E N 7.747 128.115 120.200 0.280 0.000 2.216 88 E HA 0.364 4.713 4.350 -0.000 0.000 0.279 88 E C -2.362 174.373 176.600 0.226 0.000 0.997 88 E CA -1.803 54.739 56.400 0.237 0.000 0.817 88 E CB 1.389 31.244 29.700 0.258 0.000 1.096 88 E HN 0.254 nan 8.360 nan 0.000 0.393 89 P HA 0.037 nan 4.420 nan 0.000 0.275 89 P C -0.541 176.744 177.300 -0.025 0.000 1.228 89 P CA -0.283 62.844 63.100 0.046 0.000 0.786 89 P CB 0.838 32.563 31.700 0.042 0.000 0.927 90 V N 5.016 124.853 119.914 -0.128 0.000 2.406 90 V HA 0.206 4.326 4.120 -0.000 0.000 0.272 90 V C -1.754 174.295 176.094 -0.075 0.000 1.043 90 V CA -1.746 60.508 62.300 -0.077 0.000 0.915 90 V CB 0.652 32.425 31.823 -0.083 0.000 0.988 90 V HN 0.574 nan 8.190 nan 0.000 0.466 91 P HA 0.214 nan 4.420 nan 0.000 0.267 91 P C 0.879 178.159 177.300 -0.033 0.000 1.209 91 P CA 0.947 64.027 63.100 -0.034 0.000 0.763 91 P CB 0.979 32.665 31.700 -0.023 0.000 0.816 92 G N 1.844 110.623 108.800 -0.034 0.000 2.195 92 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.246 92 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.246 92 G C -0.135 174.743 174.900 -0.038 0.000 0.984 92 G CA -0.276 44.808 45.100 -0.027 0.000 0.633 92 G HN 0.571 nan 8.290 nan 0.000 0.525 93 E N 0.520 120.681 120.200 -0.065 0.000 2.199 93 E HA 0.442 4.792 4.350 -0.000 0.000 0.265 93 E C -0.019 176.504 176.600 -0.129 0.000 0.882 93 E CA -0.310 56.038 56.400 -0.087 0.000 0.759 93 E CB 1.484 31.123 29.700 -0.103 0.000 1.148 93 E HN 0.296 nan 8.360 nan 0.000 0.412 94 D N 1.093 121.437 120.400 -0.094 0.000 2.234 94 D HA -0.097 4.543 4.640 -0.000 0.000 0.205 94 D C 0.886 177.115 176.300 -0.118 0.000 0.962 94 D CA 0.643 54.593 54.000 -0.083 0.000 0.855 94 D CB 0.228 41.009 40.800 -0.031 0.000 0.951 94 D HN 0.178 nan 8.370 nan 0.000 0.500 95 N N -0.297 118.323 118.700 -0.133 0.000 2.305 95 N HA 0.093 4.833 4.740 -0.000 0.000 0.248 95 N C -1.153 174.274 175.510 -0.139 0.000 1.290 95 N CA -0.084 52.921 53.050 -0.075 0.000 0.873 95 N CB 0.465 38.969 38.487 0.028 0.000 1.261 95 N HN -0.019 nan 8.380 nan 0.000 0.504 96 Q N 0.221 119.796 119.800 -0.375 0.000 2.337 96 Q HA 0.415 4.754 4.340 -0.000 0.000 0.266 96 Q C -1.452 174.203 176.000 -0.575 0.000 1.023 96 Q CA -0.660 54.977 55.803 -0.277 0.000 0.829 96 Q CB 1.845 30.506 28.738 -0.129 0.000 1.306 96 Q HN 0.216 nan 8.270 nan 0.000 0.449 97 Y N 0.953 121.253 120.300 -0.001 0.000 2.534 97 Y HA 0.418 4.968 4.550 -0.000 0.000 0.345 97 Y C -0.431 175.459 175.900 -0.017 0.000 1.031 97 Y CA -1.102 56.997 58.100 -0.003 0.000 1.022 97 Y CB 1.410 39.860 38.460 -0.017 0.000 1.292 97 Y HN 0.413 nan 8.280 nan 0.000 0.459 98 I N 2.715 123.365 120.570 0.135 0.000 2.297 98 I HA 0.449 4.619 4.170 -0.000 0.000 0.291 98 I C 0.094 176.166 176.117 -0.075 0.000 1.033 98 I CA -0.661 60.625 61.300 -0.023 0.000 1.253 98 I CB 0.461 38.428 38.000 -0.055 0.000 1.396 98 I HN 0.706 nan 8.210 nan 0.000 0.476 99 A N 7.455 130.214 122.820 -0.101 0.000 2.274 99 A HA 0.587 4.907 4.320 -0.000 0.000 0.309 99 A C -1.114 176.372 177.584 -0.162 0.000 1.226 99 A CA -0.339 51.658 52.037 -0.065 0.000 0.853 99 A CB 0.198 19.173 19.000 -0.041 0.000 1.146 99 A HN 0.544 nan 8.150 nan 0.000 0.518 100 Y N 1.848 122.103 120.300 -0.074 0.000 2.341 100 Y HA 0.456 5.006 4.550 -0.000 0.000 0.340 100 Y C 0.140 175.891 175.900 -0.247 0.000 0.997 100 Y CA -0.257 57.731 58.100 -0.187 0.000 1.149 100 Y CB 1.672 39.797 38.460 -0.558 0.000 1.171 100 Y HN 0.394 nan 8.280 nan 0.000 0.494 101 V N 3.249 123.295 119.914 0.220 0.000 2.555 101 V HA 0.782 4.902 4.120 -0.000 0.000 0.302 101 V C -0.280 175.959 176.094 0.242 0.000 1.038 101 V CA -1.044 61.347 62.300 0.151 0.000 0.887 101 V CB 1.603 33.446 31.823 0.033 0.000 0.991 101 V HN 0.833 nan 8.190 nan 0.000 0.434 102 A N 4.353 127.271 122.820 0.163 0.000 2.288 102 A HA 0.874 5.194 4.320 -0.000 0.000 0.320 102 A C -1.259 176.227 177.584 -0.164 0.000 1.217 102 A CA -0.339 51.757 52.037 0.098 0.000 0.840 102 A CB 0.533 19.631 19.000 0.163 0.000 1.179 102 A HN 0.728 nan 8.150 nan 0.000 0.504 106 D N 1.587 122.064 120.400 0.127 0.000 2.351 106 D HA 0.001 4.641 4.640 -0.000 0.000 0.216 106 D C 1.979 178.311 176.300 0.052 0.000 0.968 106 D CA 1.158 55.234 54.000 0.128 0.000 0.899 106 D CB 0.073 40.997 40.800 0.207 0.000 0.907 106 D HN 0.438 nan 8.370 nan 0.000 0.514 107 L N -0.894 120.262 121.223 -0.111 0.000 2.395 107 L HA 0.046 4.386 4.340 -0.000 0.000 0.218 107 L C 0.112 176.610 176.870 -0.621 0.000 1.130 107 L CA 0.283 54.856 54.840 -0.444 0.000 0.826 107 L CB -0.041 41.586 42.059 -0.720 0.000 0.941 107 L HN -0.112 nan 8.230 nan 0.000 0.451 108 F N -0.240 119.671 119.950 -0.065 0.000 2.469 108 F HA 0.296 4.823 4.527 -0.000 0.000 0.332 108 F C 0.633 176.459 175.800 0.043 0.000 1.103 108 F CA -1.186 56.770 58.000 -0.074 0.000 0.979 108 F CB 1.033 39.813 39.000 -0.366 0.000 1.137 108 F HN -0.179 nan 8.300 nan 0.000 0.463 109 E N 2.022 122.372 120.200 0.251 0.000 2.324 109 E HA 0.094 4.444 4.350 -0.000 0.000 0.271 109 E C -0.717 176.016 176.600 0.221 0.000 1.028 109 E CA -0.513 55.994 56.400 0.179 0.000 0.890 109 E CB 0.532 30.295 29.700 0.105 0.000 1.004 109 E HN 0.502 nan 8.360 nan 0.000 0.431 110 E N 2.603 122.868 120.200 0.109 0.000 2.465 110 E HA 0.155 4.505 4.350 -0.000 0.000 0.260 110 E C 0.900 177.268 176.600 -0.386 0.000 0.980 110 E CA 1.352 57.707 56.400 -0.075 0.000 0.927 110 E CB 0.552 30.210 29.700 -0.068 0.000 0.934 110 E HN 0.806 nan 8.360 nan 0.000 0.459 111 G N 2.573 110.720 108.800 -1.089 0.000 2.168 111 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.263 111 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.263 111 G C 0.334 174.867 174.900 -0.610 0.000 0.977 111 G CA 0.464 44.770 45.100 -1.323 0.000 0.659 111 G HN 0.556 nan 8.290 nan 0.000 0.533 112 S N -0.437 115.112 115.700 -0.252 0.000 2.601 112 S HA 0.550 5.020 4.470 -0.000 0.000 0.312 112 S C 1.480 176.245 174.600 0.275 0.000 1.107 112 S CA 0.108 58.370 58.200 0.104 0.000 1.129 112 S CB 1.290 64.544 63.200 0.091 0.000 0.982 112 S HN 0.540 nan 8.310 nan 0.000 0.469 113 V N 4.827 124.871 119.914 0.217 0.000 2.358 113 V HA -0.125 3.995 4.120 -0.000 0.000 0.246 113 V C 2.602 178.592 176.094 -0.173 0.000 1.047 113 V CA 2.430 64.669 62.300 -0.102 0.000 1.035 113 V CB -1.091 30.351 31.823 -0.635 0.000 0.658 113 V HN 0.848 nan 8.190 nan 0.000 0.452 114 T N 0.261 114.756 114.554 -0.100 0.000 2.620 114 T HA -0.321 4.029 4.350 -0.000 0.000 0.267 114 T C 1.916 176.696 174.700 0.133 0.000 1.044 114 T CA 2.227 64.348 62.100 0.035 0.000 1.161 114 T CB -0.562 68.367 68.868 0.101 0.000 0.862 114 T HN 0.587 nan 8.240 nan 0.000 0.438 115 N N 0.399 119.196 118.700 0.161 0.000 2.120 115 N HA -0.093 4.647 4.740 -0.000 0.000 0.188 115 N C 2.140 177.825 175.510 0.292 0.000 1.024 115 N CA 1.308 54.478 53.050 0.200 0.000 0.852 115 N CB -0.251 38.351 38.487 0.193 0.000 1.003 115 N HN 0.416 nan 8.380 nan 0.000 0.424 116 M N -0.254 119.566 119.600 0.366 0.000 2.080 116 M HA -0.193 4.287 4.480 -0.000 0.000 0.260 116 M C 1.520 177.999 176.300 0.299 0.000 1.068 116 M CA 1.607 57.131 55.300 0.374 0.000 1.109 116 M CB -0.179 32.563 32.600 0.236 0.000 1.342 116 M HN 0.053 nan 8.290 nan 0.000 0.405 117 F N 0.417 120.380 119.950 0.022 0.000 2.186 117 F HA -0.144 4.383 4.527 -0.000 0.000 0.299 117 F C 2.510 178.351 175.800 0.069 0.000 1.090 117 F CA 1.747 59.761 58.000 0.023 0.000 1.307 117 F CB -1.239 37.767 39.000 0.009 0.000 1.019 117 F HN 0.184 nan 8.300 nan 0.000 0.489 118 T N -1.091 113.621 114.554 0.262 0.000 2.720 118 T HA -0.190 4.160 4.350 -0.000 0.000 0.268 118 T C 2.340 177.114 174.700 0.124 0.000 1.037 118 T CA 1.752 63.955 62.100 0.172 0.000 1.144 118 T CB -0.484 68.466 68.868 0.136 0.000 0.864 118 T HN 0.154 nan 8.240 nan 0.000 0.444 119 S N 0.888 116.650 115.700 0.103 0.000 2.338 119 S HA 0.048 4.518 4.470 -0.000 0.000 0.218 119 S C 2.075 176.706 174.600 0.052 0.000 1.032 119 S CA 0.979 59.201 58.200 0.036 0.000 0.999 119 S CB -0.355 62.805 63.200 -0.066 0.000 0.905 119 S HN 0.411 nan 8.310 nan 0.000 0.439 120 I N 1.319 121.903 120.570 0.024 0.000 2.439 120 I HA -0.053 4.117 4.170 -0.000 0.000 0.251 120 I C 1.637 177.908 176.117 0.256 0.000 1.139 120 I CA 0.944 62.276 61.300 0.053 0.000 1.438 120 I CB -0.077 37.843 38.000 -0.134 0.000 1.085 120 I HN 0.258 nan 8.210 nan 0.000 0.427 121 V N -2.992 117.023 119.914 0.168 0.000 3.253 121 V HA 0.471 4.591 4.120 -0.000 0.000 0.320 121 V C 1.628 177.850 176.094 0.212 0.000 1.442 121 V CA 0.281 62.739 62.300 0.264 0.000 1.097 121 V CB -0.369 31.410 31.823 -0.074 0.000 1.008 121 V HN 0.222 nan 8.190 nan 0.000 0.463 122 G N 1.911 110.827 108.800 0.193 0.000 2.484 122 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.215 122 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.215 122 G C 1.196 176.210 174.900 0.189 0.000 1.219 122 G CA 1.476 46.675 45.100 0.164 0.000 0.791 122 G HN 0.555 nan 8.290 nan 0.000 0.550 123 N N -0.591 118.244 118.700 0.225 0.000 2.297 123 N HA 0.009 4.749 4.740 -0.000 0.000 0.208 123 N C 2.213 177.944 175.510 0.368 0.000 1.176 123 N CA 0.858 54.067 53.050 0.264 0.000 0.882 123 N CB 0.395 39.039 38.487 0.262 0.000 1.134 123 N HN 0.288 nan 8.380 nan 0.000 0.489 124 V N -1.267 118.807 119.914 0.266 0.000 2.759 124 V HA -0.014 4.106 4.120 -0.000 0.000 0.256 124 V C 1.581 177.726 176.094 0.086 0.000 1.080 124 V CA 1.237 63.563 62.300 0.044 0.000 1.101 124 V CB -1.141 30.473 31.823 -0.347 0.000 0.698 124 V HN -0.071 nan 8.190 nan 0.000 0.477 125 F N 2.356 122.376 119.950 0.116 0.000 2.604 125 F HA 0.333 4.860 4.527 -0.000 0.000 0.298 125 F C 2.293 178.227 175.800 0.224 0.000 1.131 125 F CA 1.057 59.145 58.000 0.146 0.000 1.457 125 F CB -0.518 38.547 39.000 0.109 0.000 1.095 125 F HN 0.336 nan 8.300 nan 0.000 0.574 126 G N -1.639 107.380 108.800 0.365 0.000 3.126 126 G HA2 0.042 4.002 3.960 -0.000 0.000 0.224 126 G HA3 0.042 4.002 3.960 -0.000 0.000 0.224 126 G C 0.181 175.163 174.900 0.137 0.000 1.142 126 G CA -0.205 45.027 45.100 0.220 0.000 0.759 126 G HN 0.011 nan 8.290 nan 0.000 0.550 127 F N 1.506 121.471 119.950 0.024 0.000 2.578 127 F HA 0.187 4.714 4.527 -0.000 0.000 0.376 127 F C 1.790 177.587 175.800 -0.006 0.000 1.085 127 F CA 0.234 58.227 58.000 -0.011 0.000 1.260 127 F CB 1.066 40.030 39.000 -0.061 0.000 1.095 127 F HN -0.064 nan 8.300 nan 0.000 0.573 128 K N 2.651 123.071 120.400 0.033 0.000 2.097 128 K HA -0.158 4.162 4.320 -0.000 0.000 0.206 128 K C 1.946 178.593 176.600 0.077 0.000 1.049 128 K CA 1.309 57.613 56.287 0.029 0.000 0.933 128 K CB -0.168 32.316 32.500 -0.026 0.000 0.717 128 K HN 0.714 nan 8.250 nan 0.000 0.442 129 A N 1.167 124.071 122.820 0.139 0.000 2.209 129 A HA 0.008 4.328 4.320 -0.000 0.000 0.212 129 A C 0.717 178.338 177.584 0.062 0.000 1.158 129 A CA 0.532 52.632 52.037 0.105 0.000 0.742 129 A CB -0.499 18.585 19.000 0.139 0.000 0.790 129 A HN 0.237 nan 8.150 nan 0.000 0.472 130 L N -5.926 115.340 121.223 0.071 0.000 2.341 130 L HA 0.678 5.018 4.340 -0.000 0.000 0.267 130 L C 0.575 177.481 176.870 0.060 0.000 1.009 130 L CA -0.808 54.055 54.840 0.038 0.000 0.819 130 L CB 1.332 43.382 42.059 -0.015 0.000 1.323 130 L HN -0.032 nan 8.230 nan 0.000 0.425 131 R N 1.153 121.688 120.500 0.058 0.000 2.206 131 R HA 0.681 5.021 4.340 -0.000 0.000 0.198 131 R C -0.033 176.323 176.300 0.094 0.000 0.986 131 R CA 0.640 56.776 56.100 0.060 0.000 1.029 131 R CB 0.491 30.820 30.300 0.048 0.000 0.966 131 R HN 0.847 nan 8.270 nan 0.000 0.487 132 A N 0.807 123.710 122.820 0.137 0.000 2.605 132 A HA 0.598 4.918 4.320 -0.000 0.000 0.294 132 A C -2.104 175.588 177.584 0.181 0.000 1.062 132 A CA -0.630 51.579 52.037 0.287 0.000 0.682 132 A CB 1.689 20.829 19.000 0.234 0.000 1.278 132 A HN 0.042 nan 8.150 nan 0.000 0.410 133 L N 0.667 121.994 121.223 0.174 0.000 2.526 133 L HA 0.758 5.098 4.340 -0.000 0.000 0.263 133 L C -0.729 176.093 176.870 -0.079 0.000 0.943 133 L CA -0.098 54.651 54.840 -0.152 0.000 0.859 133 L CB 1.911 43.597 42.059 -0.623 0.000 1.313 133 L HN 0.809 nan 8.230 nan 0.000 0.406 134 R N 4.191 124.723 120.500 0.053 0.000 2.502 134 R HA 0.508 4.848 4.340 -0.000 0.000 0.300 134 R C -1.679 174.686 176.300 0.108 0.000 0.984 134 R CA -0.936 55.260 56.100 0.160 0.000 0.882 134 R CB 1.701 32.066 30.300 0.108 0.000 1.180 134 R HN 0.681 nan 8.270 nan 0.000 0.444 135 L N 4.741 126.055 121.223 0.152 0.000 2.385 135 L HA 0.162 4.502 4.340 -0.000 0.000 0.281 135 L C 0.863 177.621 176.870 -0.187 0.000 1.106 135 L CA 0.682 55.412 54.840 -0.182 0.000 0.856 135 L CB 0.855 42.796 42.059 -0.198 0.000 1.186 135 L HN 0.671 nan 8.230 nan 0.000 0.453 136 E N 2.307 122.298 120.200 -0.349 0.000 2.166 136 E HA 0.097 4.447 4.350 -0.000 0.000 0.192 136 E C -0.192 176.176 176.600 -0.387 0.000 0.967 136 E CA 0.485 56.631 56.400 -0.424 0.000 0.840 136 E CB 0.400 29.558 29.700 -0.904 0.000 0.795 136 E HN 0.691 nan 8.360 nan 0.000 0.470 137 D N -1.193 119.008 120.400 -0.332 0.000 2.653 137 D HA 0.387 5.027 4.640 -0.000 0.000 0.258 137 D C -1.575 174.786 176.300 0.101 0.000 1.252 137 D CA -0.458 53.509 54.000 -0.055 0.000 0.777 137 D CB 1.357 42.168 40.800 0.019 0.000 1.339 137 D HN -0.154 nan 8.370 nan 0.000 0.422 138 L N 1.412 122.706 121.223 0.118 0.000 2.436 138 L HA 0.476 4.816 4.340 -0.000 0.000 0.268 138 L C -0.340 176.427 176.870 -0.171 0.000 0.974 138 L CA -0.854 53.941 54.840 -0.074 0.000 0.826 138 L CB 2.221 44.194 42.059 -0.144 0.000 1.291 138 L HN 0.191 nan 8.230 nan 0.000 0.406 139 R N 4.532 124.700 120.500 -0.554 0.000 2.205 139 R HA 0.365 4.705 4.340 -0.000 0.000 0.342 139 R C -0.878 175.210 176.300 -0.352 0.000 1.058 139 R CA -0.602 55.198 56.100 -0.500 0.000 0.904 139 R CB 0.397 30.244 30.300 -0.754 0.000 1.089 139 R HN 0.416 nan 8.270 nan 0.000 0.471 140 I N 7.698 128.069 120.570 -0.331 0.000 2.301 140 I HA 0.278 4.448 4.170 -0.000 0.000 0.292 140 I C -1.973 174.002 176.117 -0.238 0.000 1.046 140 I CA -2.943 58.200 61.300 -0.260 0.000 1.282 140 I CB 0.953 38.770 38.000 -0.305 0.000 1.409 140 I HN 0.252 nan 8.210 nan 0.000 0.484 141 P HA 0.261 nan 4.420 nan 0.000 0.277 141 P C -2.259 175.029 177.300 -0.019 0.000 1.240 141 P CA -1.587 61.468 63.100 -0.075 0.000 0.798 141 P CB 0.525 32.208 31.700 -0.029 0.000 0.979 142 P HA -0.243 nan 4.420 nan 0.000 0.218 142 P C 1.471 178.816 177.300 0.075 0.000 1.154 142 P CA 2.471 65.591 63.100 0.033 0.000 0.872 142 P CB -0.511 31.213 31.700 0.041 0.000 0.790 143 A N -2.515 120.356 122.820 0.084 0.000 2.070 143 A HA -0.210 4.110 4.320 -0.000 0.000 0.220 143 A C 2.152 179.852 177.584 0.194 0.000 1.159 143 A CA 1.301 53.406 52.037 0.112 0.000 0.656 143 A CB -1.503 17.553 19.000 0.095 0.000 0.800 143 A HN 0.171 nan 8.150 nan 0.000 0.453 144 Y N -0.303 120.027 120.300 0.051 0.000 2.343 144 Y HA 0.034 4.584 4.550 -0.000 0.000 0.294 144 Y C 2.306 178.351 175.900 0.242 0.000 1.122 144 Y CA 0.829 58.992 58.100 0.105 0.000 1.173 144 Y CB -0.231 38.255 38.460 0.043 0.000 1.077 144 Y HN 0.036 nan 8.280 nan 0.000 0.542 145 V N 0.916 120.916 119.914 0.143 0.000 2.324 145 V HA -0.329 3.791 4.120 -0.000 0.000 0.250 145 V C 2.224 178.437 176.094 0.199 0.000 1.060 145 V CA 2.116 64.497 62.300 0.134 0.000 1.042 145 V CB -0.526 31.355 31.823 0.098 0.000 0.650 145 V HN 0.240 nan 8.190 nan 0.000 0.450 146 K N 0.490 120.968 120.400 0.129 0.000 2.442 146 K HA -0.069 4.251 4.320 -0.000 0.000 0.198 146 K C 2.084 178.707 176.600 0.038 0.000 1.042 146 K CA 1.475 57.816 56.287 0.090 0.000 0.958 146 K CB -0.694 31.848 32.500 0.070 0.000 0.766 146 K HN 0.771 nan 8.250 nan 0.000 0.474 147 T N -2.088 112.450 114.554 -0.027 0.000 3.113 147 T HA 0.068 4.418 4.350 -0.000 0.000 0.256 147 T C 0.553 175.032 174.700 -0.367 0.000 1.131 147 T CA -0.046 61.924 62.100 -0.216 0.000 1.074 147 T CB -0.234 68.430 68.868 -0.341 0.000 0.944 147 T HN -0.150 nan 8.240 nan 0.000 0.516 148 F N 0.678 120.544 119.950 -0.141 0.000 2.421 148 F HA 0.519 5.046 4.527 -0.000 0.000 0.337 148 F C 1.379 177.134 175.800 -0.075 0.000 1.105 148 F CA -1.334 56.593 58.000 -0.122 0.000 1.049 148 F CB 1.550 40.463 39.000 -0.145 0.000 1.139 148 F HN -0.260 nan 8.300 nan 0.000 0.479 149 V N 2.457 122.424 119.914 0.088 0.000 2.287 149 V HA -0.055 4.065 4.120 -0.000 0.000 0.248 149 V C 1.413 177.528 176.094 0.035 0.000 1.053 149 V CA 1.647 63.968 62.300 0.035 0.000 1.027 149 V CB -1.419 30.405 31.823 0.002 0.000 0.646 149 V HN 1.171 nan 8.190 nan 0.000 0.447 153 H N -0.883 118.162 119.070 -0.042 0.000 1.855 153 H HA 0.475 5.031 4.556 -0.000 0.000 0.178 153 H C 1.047 176.364 175.328 -0.020 0.000 0.923 153 H CA 1.148 57.182 56.048 -0.023 0.000 0.993 153 H CB 0.568 30.320 29.762 -0.016 0.000 1.078 153 H HN 0.285 nan 8.280 nan 0.000 0.349 154 G N 1.177 110.032 108.800 0.091 0.000 2.757 154 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.638 154 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.638 154 G C 0.754 175.697 174.900 0.072 0.000 1.344 154 G CA -0.016 45.109 45.100 0.041 0.000 0.855 154 G HN 0.201 nan 8.290 nan 0.000 0.537 155 I N 0.167 120.766 120.570 0.049 0.000 2.179 155 I HA -0.210 3.960 4.170 -0.000 0.000 0.242 155 I C 2.992 179.157 176.117 0.080 0.000 1.088 155 I CA 2.378 63.716 61.300 0.063 0.000 1.357 155 I CB -0.325 37.702 38.000 0.044 0.000 1.051 155 I HN 0.656 nan 8.210 nan 0.000 0.409 156 Q N 0.016 119.864 119.800 0.080 0.000 2.050 156 Q HA -0.151 4.189 4.340 -0.000 0.000 0.202 156 Q C 2.321 178.386 176.000 0.108 0.000 0.980 156 Q CA 1.679 57.542 55.803 0.101 0.000 0.840 156 Q CB -0.377 28.412 28.738 0.085 0.000 0.898 156 Q HN 0.329 nan 8.270 nan 0.000 0.424 157 V N 0.835 120.807 119.914 0.097 0.000 2.343 157 V HA -0.282 3.838 4.120 -0.000 0.000 0.247 157 V C 2.190 178.323 176.094 0.065 0.000 1.051 157 V CA 2.103 64.461 62.300 0.097 0.000 1.036 157 V CB -0.604 31.301 31.823 0.136 0.000 0.654 157 V HN 0.445 nan 8.190 nan 0.000 0.451 158 E N 0.411 120.654 120.200 0.070 0.000 2.038 158 E HA -0.260 4.090 4.350 -0.000 0.000 0.195 158 E C 2.476 179.092 176.600 0.027 0.000 1.000 158 E CA 1.512 57.942 56.400 0.050 0.000 0.803 158 E CB -0.120 29.647 29.700 0.112 0.000 0.750 158 E HN 0.500 nan 8.360 nan 0.000 0.448 159 R N 0.343 120.854 120.500 0.019 0.000 2.103 159 R HA -0.158 4.182 4.340 -0.000 0.000 0.242 159 R C 2.022 178.205 176.300 -0.194 0.000 1.142 159 R CA 1.647 57.678 56.100 -0.116 0.000 0.960 159 R CB -0.231 30.043 30.300 -0.044 0.000 0.858 159 R HN 0.308 nan 8.270 nan 0.000 0.439 160 D N 0.286 120.705 120.400 0.033 0.000 2.144 160 D HA -0.105 4.535 4.640 -0.000 0.000 0.200 160 D C 1.654 177.976 176.300 0.037 0.000 0.978 160 D CA 1.188 55.259 54.000 0.118 0.000 0.833 160 D CB 0.012 40.904 40.800 0.155 0.000 0.961 160 D HN 0.219 nan 8.370 nan 0.000 0.470 161 K N 0.026 120.425 120.400 -0.001 0.000 2.155 161 K HA 0.066 4.386 4.320 -0.000 0.000 0.203 161 K C 2.093 178.678 176.600 -0.024 0.000 1.052 161 K CA 0.418 56.695 56.287 -0.016 0.000 0.948 161 K CB 0.131 32.596 32.500 -0.058 0.000 0.728 161 K HN 0.145 nan 8.250 nan 0.000 0.448 162 L N 0.317 121.509 121.223 -0.053 0.000 2.446 162 L HA 0.015 4.355 4.340 -0.000 0.000 0.219 162 L C 0.624 177.414 176.870 -0.133 0.000 1.116 162 L CA 0.103 54.901 54.840 -0.070 0.000 0.844 162 L CB -0.397 41.629 42.059 -0.055 0.000 0.970 162 L HN 0.388 nan 8.230 nan 0.000 0.457 163 N N 1.226 119.804 118.700 -0.203 0.000 2.758 163 N HA -0.180 4.560 4.740 -0.000 0.000 0.248 163 N C -0.477 174.792 175.510 -0.403 0.000 1.076 163 N CA 0.345 53.259 53.050 -0.226 0.000 0.696 163 N CB -0.394 38.078 38.487 -0.025 0.000 0.979 163 N HN 0.352 nan 8.380 nan 0.000 0.550 164 K N 1.487 121.467 120.400 -0.699 0.000 2.450 164 K HA 0.399 4.719 4.320 -0.000 0.000 0.257 164 K C -1.421 174.783 176.600 -0.659 0.000 0.953 164 K CA -0.329 55.665 56.287 -0.487 0.000 0.844 164 K CB 1.009 33.348 32.500 -0.269 0.000 1.103 164 K HN 0.116 nan 8.250 nan 0.000 0.429 165 Y N -0.603 119.705 120.300 0.013 0.000 2.588 165 Y HA 0.442 4.991 4.550 -0.000 0.000 0.343 165 Y C 1.057 176.967 175.900 0.017 0.000 1.065 165 Y CA -0.734 57.377 58.100 0.019 0.000 1.038 165 Y CB 2.479 40.950 38.460 0.018 0.000 1.297 165 Y HN 0.727 nan 8.280 nan 0.000 0.467 166 G N 1.179 110.095 108.800 0.194 0.000 2.176 166 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.253 166 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.253 166 G C -0.188 174.761 174.900 0.081 0.000 0.979 166 G CA 0.233 45.403 45.100 0.117 0.000 0.641 166 G HN 0.910 nan 8.290 nan 0.000 0.530 167 R N -1.239 119.305 120.500 0.072 0.000 2.712 167 R HA 0.619 4.959 4.340 -0.000 0.000 0.272 167 R C 0.414 176.742 176.300 0.047 0.000 1.032 167 R CA -0.498 55.636 56.100 0.056 0.000 0.874 167 R CB 0.143 30.468 30.300 0.043 0.000 1.256 167 R HN 1.019 nan 8.270 nan 0.000 0.468 168 G N 1.411 110.240 108.800 0.050 0.000 2.559 168 G HA2 0.294 4.254 3.960 -0.000 0.000 0.235 168 G HA3 0.294 4.254 3.960 -0.000 0.000 0.235 168 G C -0.074 174.840 174.900 0.024 0.000 1.266 168 G CA -0.676 44.446 45.100 0.036 0.000 0.847 168 G HN 0.386 nan 8.290 nan 0.000 0.583 169 L N 0.155 121.391 121.223 0.021 0.000 2.421 169 L HA 0.466 4.806 4.340 -0.000 0.000 0.263 169 L C 0.277 177.188 176.870 0.067 0.000 1.122 169 L CA -0.570 54.291 54.840 0.035 0.000 0.804 169 L CB 1.005 43.138 42.059 0.124 0.000 1.150 169 L HN 0.221 nan 8.230 nan 0.000 0.457 170 L N 1.060 122.321 121.223 0.064 0.000 2.356 170 L HA 0.688 5.028 4.340 -0.000 0.000 0.277 170 L C 0.187 177.142 176.870 0.141 0.000 0.996 170 L CA -0.281 54.626 54.840 0.112 0.000 0.822 170 L CB 1.812 43.912 42.059 0.069 0.000 1.256 170 L HN 0.741 nan 8.230 nan 0.000 0.413 171 G N 0.870 109.766 108.800 0.160 0.000 3.140 171 G HA2 0.653 4.613 3.960 -0.000 0.000 0.271 171 G HA3 0.653 4.613 3.960 -0.000 0.000 0.271 171 G C -1.755 173.178 174.900 0.055 0.000 1.370 171 G CA -0.538 44.623 45.100 0.102 0.000 1.014 171 G HN 0.683 nan 8.290 nan 0.000 0.541 172 C N -0.150 119.125 119.300 -0.042 0.000 3.198 172 C HA 0.575 5.035 4.460 -0.000 0.000 0.438 172 C C -0.363 174.583 174.990 -0.073 0.000 0.952 172 C CA -0.532 58.477 59.018 -0.015 0.000 1.216 172 C CB 0.311 28.065 27.740 0.023 0.000 1.594 172 C HN 0.862 nan 8.230 nan 0.000 0.598 173 T N 7.227 121.760 114.554 -0.035 0.000 2.794 173 T HA 0.387 4.737 4.350 -0.000 0.000 0.296 173 T C 0.605 175.295 174.700 -0.016 0.000 0.949 173 T CA -0.257 61.831 62.100 -0.019 0.000 1.101 173 T CB 0.320 69.207 68.868 0.031 0.000 0.905 173 T HN 0.586 nan 8.240 nan 0.000 0.516 174 I N 4.067 124.612 120.570 -0.041 0.000 2.710 174 I HA 0.167 4.337 4.170 -0.000 0.000 0.286 174 I C 0.701 176.781 176.117 -0.063 0.000 1.181 174 I CA 0.212 61.422 61.300 -0.150 0.000 1.430 174 I CB -0.186 37.480 38.000 -0.556 0.000 1.367 174 I HN 0.461 nan 8.210 nan 0.000 0.577 175 K N 6.562 126.926 120.400 -0.059 0.000 2.443 175 K HA 0.559 4.879 4.320 -0.000 0.000 0.251 175 K C -2.454 174.138 176.600 -0.013 0.000 0.972 175 K CA -1.680 54.606 56.287 -0.001 0.000 0.833 175 K CB 1.518 34.032 32.500 0.024 0.000 1.317 175 K HN 0.278 nan 8.250 nan 0.000 0.441 176 P HA 0.107 nan 4.420 nan 0.000 0.269 176 P C 0.321 177.643 177.300 0.038 0.000 1.215 176 P CA -0.092 63.015 63.100 0.012 0.000 0.780 176 P CB 0.831 32.522 31.700 -0.015 0.000 0.898 177 K N 0.541 120.964 120.400 0.039 0.000 2.032 177 K HA -0.127 4.193 4.320 -0.000 0.000 0.218 177 K C 0.805 177.460 176.600 0.092 0.000 1.054 177 K CA 1.379 57.707 56.287 0.070 0.000 0.941 177 K CB -0.377 32.147 32.500 0.041 0.000 0.720 177 K HN 0.412 nan 8.250 nan 0.000 0.449 178 L N -2.159 119.049 121.223 -0.025 0.000 2.323 178 L HA 0.434 4.774 4.340 -0.000 0.000 0.265 178 L C 0.861 177.415 176.870 -0.526 0.000 1.012 178 L CA -0.280 54.424 54.840 -0.227 0.000 0.820 178 L CB 2.175 44.125 42.059 -0.181 0.000 1.334 178 L HN 0.500 nan 8.230 nan 0.000 0.427 179 G N 0.890 108.933 108.800 -1.262 0.000 2.253 179 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.209 179 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.209 179 G C -0.109 174.611 174.900 -0.299 0.000 0.997 179 G CA -0.577 44.021 45.100 -0.837 0.000 0.640 179 G HN 0.314 nan 8.290 nan 0.000 0.496 180 L N 2.517 123.711 121.223 -0.049 0.000 2.417 180 L HA 0.538 4.878 4.340 -0.000 0.000 0.268 180 L C 1.544 178.601 176.870 0.313 0.000 1.158 180 L CA 0.023 54.965 54.840 0.169 0.000 0.819 180 L CB 1.317 43.532 42.059 0.260 0.000 1.112 180 L HN 0.475 nan 8.230 nan 0.000 0.458 181 S N 1.590 117.420 115.700 0.217 0.000 2.624 181 S HA 0.300 4.770 4.470 -0.000 0.000 0.263 181 S C 1.103 175.812 174.600 0.182 0.000 1.287 181 S CA -0.173 58.142 58.200 0.192 0.000 0.990 181 S CB 1.477 64.733 63.200 0.094 0.000 0.950 181 S HN 0.700 nan 8.310 nan 0.000 0.561 182 A N 1.385 124.296 122.820 0.151 0.000 1.908 182 A HA -0.145 4.175 4.320 -0.000 0.000 0.218 182 A C 2.143 179.735 177.584 0.014 0.000 1.181 182 A CA 2.133 54.293 52.037 0.205 0.000 0.627 182 A CB -1.083 18.140 19.000 0.372 0.000 0.818 182 A HN 0.974 nan 8.150 nan 0.000 0.445 183 K N -0.326 119.831 120.400 -0.405 0.000 2.097 183 K HA -0.110 4.210 4.320 -0.000 0.000 0.205 183 K C 1.644 178.049 176.600 -0.325 0.000 1.050 183 K CA 1.628 57.383 56.287 -0.886 0.000 0.938 183 K CB -0.187 31.770 32.500 -0.906 0.000 0.718 183 K HN 0.391 nan 8.250 nan 0.000 0.442 184 N N -0.336 118.293 118.700 -0.120 0.000 2.244 184 N HA -0.138 4.602 4.740 -0.000 0.000 0.183 184 N C 1.402 176.931 175.510 0.032 0.000 1.016 184 N CA 0.907 53.942 53.050 -0.026 0.000 0.866 184 N CB -0.281 38.214 38.487 0.014 0.000 0.980 184 N HN 0.246 nan 8.380 nan 0.000 0.430 185 Y N 1.150 121.441 120.300 -0.016 0.000 2.145 185 Y HA -0.119 4.430 4.550 -0.000 0.000 0.286 185 Y C 2.424 178.319 175.900 -0.009 0.000 1.145 185 Y CA 1.861 59.974 58.100 0.022 0.000 1.148 185 Y CB -0.562 37.942 38.460 0.073 0.000 0.981 185 Y HN 0.075 nan 8.280 nan 0.000 0.507 186 G N -0.799 108.080 108.800 0.132 0.000 2.421 186 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.217 186 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.217 186 G C 1.714 176.653 174.900 0.065 0.000 1.143 186 G CA 0.672 45.827 45.100 0.091 0.000 0.784 186 G HN 0.332 nan 8.290 nan 0.000 0.541 187 R N 0.622 121.134 120.500 0.020 0.000 2.083 187 R HA -0.008 4.332 4.340 -0.000 0.000 0.237 187 R C 2.756 179.099 176.300 0.072 0.000 1.137 187 R CA 1.712 57.848 56.100 0.060 0.000 0.951 187 R CB -0.460 29.842 30.300 0.004 0.000 0.851 187 R HN 0.238 nan 8.270 nan 0.000 0.434 188 A N 0.325 123.140 122.820 -0.009 0.000 1.933 188 A HA -0.074 4.246 4.320 -0.000 0.000 0.218 188 A C 2.289 179.843 177.584 -0.050 0.000 1.175 188 A CA 1.506 53.510 52.037 -0.054 0.000 0.628 188 A CB -0.462 18.455 19.000 -0.138 0.000 0.814 188 A HN 0.249 nan 8.150 nan 0.000 0.444 189 V N -1.184 118.708 119.914 -0.037 0.000 2.270 189 V HA -0.272 3.848 4.120 -0.000 0.000 0.245 189 V C 2.344 178.464 176.094 0.043 0.000 1.043 189 V CA 2.121 64.419 62.300 -0.003 0.000 1.014 189 V CB -1.062 30.733 31.823 -0.046 0.000 0.645 189 V HN 0.732 nan 8.190 nan 0.000 0.447 190 Y N 1.608 121.893 120.300 -0.024 0.000 2.069 190 Y HA -0.283 4.267 4.550 -0.000 0.000 0.278 190 Y C 2.580 178.476 175.900 -0.008 0.000 1.175 190 Y CA 2.184 60.279 58.100 -0.009 0.000 1.134 190 Y CB -0.438 38.023 38.460 0.002 0.000 0.965 190 Y HN 0.292 nan 8.280 nan 0.000 0.498 191 E N -0.458 119.551 120.200 -0.318 0.000 2.110 191 E HA -0.215 4.135 4.350 -0.000 0.000 0.193 191 E C 2.490 178.933 176.600 -0.261 0.000 0.988 191 E CA 1.424 57.586 56.400 -0.396 0.000 0.804 191 E CB -0.917 28.686 29.700 -0.161 0.000 0.745 191 E HN 0.570 nan 8.360 nan 0.000 0.458 192 C N 0.681 119.891 119.300 -0.150 0.000 2.436 192 C HA -0.077 4.383 4.460 -0.000 0.000 0.277 192 C C 2.876 177.802 174.990 -0.106 0.000 1.241 192 C CA 0.394 59.352 59.018 -0.099 0.000 1.721 192 C CB -1.127 26.583 27.740 -0.050 0.000 2.043 192 C HN 0.357 nan 8.230 nan 0.000 0.472 193 L N 1.129 122.293 121.223 -0.097 0.000 2.093 193 L HA -0.131 4.209 4.340 -0.000 0.000 0.208 193 L C 2.902 179.713 176.870 -0.100 0.000 1.085 193 L CA 1.610 56.407 54.840 -0.071 0.000 0.755 193 L CB -0.682 41.368 42.059 -0.014 0.000 0.904 193 L HN 0.485 nan 8.230 nan 0.000 0.435 194 R N 0.329 120.720 120.500 -0.182 0.000 2.189 194 R HA -0.045 4.295 4.340 -0.000 0.000 0.218 194 R C 1.928 178.149 176.300 -0.132 0.000 1.074 194 R CA 1.263 57.257 56.100 -0.176 0.000 0.991 194 R CB -0.686 29.395 30.300 -0.365 0.000 0.883 194 R HN 0.217 nan 8.270 nan 0.000 0.457 195 G N -0.562 108.155 108.800 -0.139 0.000 2.813 195 G HA2 0.232 4.192 3.960 -0.000 0.000 0.209 195 G HA3 0.232 4.192 3.960 -0.000 0.000 0.209 195 G C 0.887 175.738 174.900 -0.082 0.000 1.150 195 G CA 0.307 45.344 45.100 -0.106 0.000 0.785 195 G HN 0.598 nan 8.290 nan 0.000 0.535 196 G N -0.846 107.907 108.800 -0.078 0.000 2.273 196 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.162 196 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.162 196 G C 0.233 175.090 174.900 -0.073 0.000 1.006 196 G CA -0.399 44.661 45.100 -0.066 0.000 0.704 196 G HN 0.312 nan 8.290 nan 0.000 0.487 197 L N 1.488 122.667 121.223 -0.074 0.000 2.397 197 L HA 0.344 4.684 4.340 -0.000 0.000 0.271 197 L C 1.077 177.876 176.870 -0.118 0.000 1.148 197 L CA -0.572 54.227 54.840 -0.067 0.000 0.825 197 L CB 0.649 42.688 42.059 -0.035 0.000 1.117 197 L HN 0.028 nan 8.230 nan 0.000 0.456 198 D N 1.728 122.012 120.400 -0.193 0.000 2.213 198 D HA 0.031 4.671 4.640 -0.000 0.000 0.205 198 D C -0.145 175.819 176.300 -0.561 0.000 0.961 198 D CA 1.477 55.212 54.000 -0.441 0.000 0.853 198 D CB 0.328 40.730 40.800 -0.664 0.000 0.967 198 D HN 0.144 nan 8.370 nan 0.000 0.496 199 F N -0.025 119.901 119.950 -0.041 0.000 2.599 199 F HA 0.291 4.817 4.527 -0.000 0.000 0.311 199 F C 0.615 176.279 175.800 -0.226 0.000 1.076 199 F CA -1.042 56.877 58.000 -0.134 0.000 0.937 199 F CB 1.813 40.711 39.000 -0.170 0.000 1.282 199 F HN -0.340 nan 8.300 nan 0.000 0.460 203 D N 1.240 121.757 120.400 0.196 0.000 2.423 203 D HA -0.024 4.616 4.640 -0.000 0.000 0.238 203 D C 1.569 177.848 176.300 -0.035 0.000 1.142 203 D CA 0.079 54.121 54.000 0.071 0.000 0.884 203 D CB 1.052 41.912 40.800 0.099 0.000 1.199 203 D HN 0.407 nan 8.370 nan 0.000 0.438 204 E N 2.754 122.808 120.200 -0.244 0.000 2.187 204 E HA -0.287 4.063 4.350 -0.000 0.000 0.199 204 E C 0.753 177.248 176.600 -0.174 0.000 1.004 204 E CA 1.382 57.536 56.400 -0.409 0.000 0.813 204 E CB -0.376 28.739 29.700 -0.975 0.000 0.736 204 E HN 0.519 nan 8.360 nan 0.000 0.468 205 N N 0.993 119.642 118.700 -0.085 0.000 2.336 205 N HA -0.007 4.733 4.740 -0.000 0.000 0.189 205 N C 0.216 175.758 175.510 0.054 0.000 1.113 205 N CA 0.006 53.047 53.050 -0.015 0.000 0.858 205 N CB -0.027 38.462 38.487 0.002 0.000 0.970 205 N HN -0.034 nan 8.380 nan 0.000 0.471 206 V N 2.103 122.062 119.914 0.076 0.000 2.403 206 V HA 0.115 4.235 4.120 -0.000 0.000 0.265 206 V C 0.340 176.474 176.094 0.067 0.000 1.034 206 V CA 0.049 62.413 62.300 0.108 0.000 1.036 206 V CB -0.742 31.154 31.823 0.121 0.000 1.032 206 V HN 0.326 nan 8.190 nan 0.000 0.478 207 N N 2.576 121.303 118.700 0.045 0.000 2.833 207 N HA 0.256 4.996 4.740 -0.000 0.000 0.168 207 N C -0.226 175.313 175.510 0.048 0.000 1.383 207 N CA -0.389 52.682 53.050 0.034 0.000 1.103 207 N CB 0.624 39.108 38.487 -0.006 0.000 1.235 207 N HN 0.503 nan 8.380 nan 0.000 0.437 208 S N 0.157 115.860 115.700 0.006 0.000 2.614 208 S HA 0.494 4.964 4.470 -0.000 0.000 0.288 208 S C -1.756 172.765 174.600 -0.133 0.000 1.137 208 S CA -0.389 57.815 58.200 0.007 0.000 0.992 208 S CB 1.279 64.599 63.200 0.199 0.000 1.026 208 S HN 0.269 nan 8.310 nan 0.000 0.486 209 Q N 3.242 122.845 119.800 -0.329 0.000 2.511 209 Q HA 0.453 4.792 4.340 -0.000 0.000 0.289 209 Q C -2.127 173.584 176.000 -0.482 0.000 1.021 209 Q CA -1.711 53.813 55.803 -0.464 0.000 0.785 209 Q CB 1.840 30.076 28.738 -0.838 0.000 1.472 209 Q HN 0.271 nan 8.270 nan 0.000 0.411 210 P HA -0.194 nan 4.420 nan 0.000 0.216 210 P C 0.611 177.847 177.300 -0.107 0.000 1.150 210 P CA 1.446 64.470 63.100 -0.127 0.000 0.843 210 P CB 0.015 31.714 31.700 -0.001 0.000 0.787 211 F N -2.593 117.369 119.950 0.021 0.000 2.502 211 F HA 0.250 4.777 4.527 -0.000 0.000 0.298 211 F C 1.011 176.828 175.800 0.028 0.000 1.111 211 F CA 0.199 58.215 58.000 0.026 0.000 1.445 211 F CB -0.605 38.416 39.000 0.034 0.000 1.081 211 F HN -0.172 nan 8.300 nan 0.000 0.558 212 M N 1.359 120.742 119.600 -0.361 0.000 2.387 212 M HA 0.306 4.786 4.480 -0.000 0.000 0.215 212 M C -1.400 174.745 176.300 -0.258 0.000 0.973 212 M CA -0.515 54.683 55.300 -0.170 0.000 0.924 212 M CB 0.885 33.498 32.600 0.021 0.000 2.471 212 M HN -0.199 nan 8.290 nan 0.000 0.445 213 R N 3.690 124.090 120.500 -0.166 0.000 2.539 213 R HA 0.216 4.556 4.340 -0.000 0.000 0.275 213 R C 1.103 177.302 176.300 -0.168 0.000 1.077 213 R CA -0.139 55.853 56.100 -0.179 0.000 1.097 213 R CB 0.418 30.583 30.300 -0.225 0.000 1.018 213 R HN 0.933 nan 8.270 nan 0.000 0.483 214 W N 4.046 125.238 121.300 -0.181 0.000 2.358 214 W HA -0.120 4.540 4.660 -0.000 0.000 0.303 214 W C 1.105 177.438 176.519 -0.310 0.000 1.208 214 W CA 0.636 57.850 57.345 -0.219 0.000 1.274 214 W CB -0.457 28.794 29.460 -0.348 0.000 1.138 214 W HN 0.535 nan 8.180 nan 0.000 0.515 215 R N 0.992 120.665 120.500 -1.379 0.000 2.115 215 R HA -0.122 4.217 4.340 -0.000 0.000 0.226 215 R C 1.782 177.802 176.300 -0.467 0.000 1.100 215 R CA 1.796 57.154 56.100 -1.237 0.000 0.980 215 R CB -0.309 29.001 30.300 -1.651 0.000 0.875 215 R HN 0.004 nan 8.270 nan 0.000 0.445 216 D N 0.051 120.243 120.400 -0.347 0.000 2.097 216 D HA -0.207 4.433 4.640 -0.000 0.000 0.195 216 D C 1.846 178.186 176.300 0.066 0.000 0.989 216 D CA 1.085 55.001 54.000 -0.140 0.000 0.827 216 D CB -0.228 40.556 40.800 -0.028 0.000 0.966 216 D HN 0.230 nan 8.370 nan 0.000 0.456 217 R N -0.206 120.383 120.500 0.149 0.000 2.083 217 R HA -0.160 4.180 4.340 -0.000 0.000 0.237 217 R C 2.295 178.796 176.300 0.334 0.000 1.137 217 R CA 1.109 57.369 56.100 0.266 0.000 0.951 217 R CB -0.374 30.037 30.300 0.185 0.000 0.851 217 R HN 0.037 nan 8.270 nan 0.000 0.434 218 F N 1.105 121.094 119.950 0.065 0.000 2.120 218 F HA -0.212 4.315 4.527 -0.000 0.000 0.300 218 F C 2.258 178.070 175.800 0.020 0.000 1.095 218 F CA 1.096 59.150 58.000 0.090 0.000 1.249 218 F CB -0.706 38.401 39.000 0.178 0.000 0.995 218 F HN 0.075 nan 8.300 nan 0.000 0.480 219 L N -1.913 119.385 121.223 0.124 0.000 2.056 219 L HA -0.225 4.115 4.340 -0.000 0.000 0.207 219 L C 2.436 179.261 176.870 -0.076 0.000 1.078 219 L CA 1.201 56.009 54.840 -0.053 0.000 0.749 219 L CB -0.523 41.387 42.059 -0.249 0.000 0.901 219 L HN 0.040 nan 8.230 nan 0.000 0.433 220 F N -1.040 118.940 119.950 0.050 0.000 2.259 220 F HA -0.146 4.381 4.527 -0.000 0.000 0.298 220 F C 2.347 178.150 175.800 0.006 0.000 1.088 220 F CA 0.794 58.813 58.000 0.031 0.000 1.358 220 F CB -0.832 38.195 39.000 0.044 0.000 1.040 220 F HN -0.211 nan 8.300 nan 0.000 0.505 221 V N -0.243 119.767 119.914 0.160 0.000 2.427 221 V HA -0.271 3.849 4.120 -0.000 0.000 0.248 221 V C 2.566 178.622 176.094 -0.063 0.000 1.051 221 V CA 1.600 63.887 62.300 -0.021 0.000 1.048 221 V CB -1.230 30.479 31.823 -0.191 0.000 0.666 221 V HN 0.330 nan 8.190 nan 0.000 0.456 222 A N -0.498 122.294 122.820 -0.046 0.000 1.883 222 A HA -0.299 4.021 4.320 -0.000 0.000 0.217 222 A C 2.280 179.801 177.584 -0.105 0.000 1.186 222 A CA 2.117 54.067 52.037 -0.144 0.000 0.624 222 A CB -0.593 18.413 19.000 0.009 0.000 0.822 222 A HN 0.593 nan 8.150 nan 0.000 0.444 223 E N -0.274 119.962 120.200 0.059 0.000 2.070 223 E HA -0.209 4.141 4.350 -0.000 0.000 0.197 223 E C 2.219 178.857 176.600 0.063 0.000 1.004 223 E CA 1.230 57.696 56.400 0.109 0.000 0.805 223 E CB -0.263 29.512 29.700 0.125 0.000 0.744 223 E HN 0.552 nan 8.360 nan 0.000 0.451 224 A N 1.024 123.874 122.820 0.051 0.000 1.877 224 A HA -0.187 4.133 4.320 -0.000 0.000 0.216 224 A C 2.179 179.816 177.584 0.088 0.000 1.186 224 A CA 1.467 53.556 52.037 0.088 0.000 0.620 224 A CB -0.681 18.385 19.000 0.109 0.000 0.822 224 A HN 0.314 nan 8.150 nan 0.000 0.443 225 I N -1.726 118.818 120.570 -0.043 0.000 2.163 225 I HA -0.308 3.862 4.170 -0.000 0.000 0.243 225 I C 2.408 178.497 176.117 -0.046 0.000 1.085 225 I CA 1.604 62.841 61.300 -0.105 0.000 1.347 225 I CB -0.460 37.358 38.000 -0.303 0.000 1.044 225 I HN 0.402 nan 8.210 nan 0.000 0.408 226 Y N 0.687 121.031 120.300 0.073 0.000 2.242 226 Y HA -0.194 4.356 4.550 -0.000 0.000 0.291 226 Y C 2.518 178.451 175.900 0.054 0.000 1.137 226 Y CA 0.994 59.127 58.100 0.055 0.000 1.181 226 Y CB -0.795 37.688 38.460 0.039 0.000 0.989 226 Y HN 0.103 nan 8.280 nan 0.000 0.527 227 K N 0.339 120.847 120.400 0.180 0.000 2.026 227 K HA -0.180 4.140 4.320 -0.000 0.000 0.208 227 K C 2.314 179.044 176.600 0.217 0.000 1.048 227 K CA 1.393 57.746 56.287 0.112 0.000 0.929 227 K CB -0.308 32.128 32.500 -0.106 0.000 0.713 227 K HN 0.218 nan 8.250 nan 0.000 0.439 228 A N 0.909 123.902 122.820 0.288 0.000 1.930 228 A HA -0.222 4.098 4.320 -0.000 0.000 0.217 228 A C 2.097 179.761 177.584 0.133 0.000 1.175 228 A CA 1.652 53.831 52.037 0.237 0.000 0.627 228 A CB -0.618 18.479 19.000 0.162 0.000 0.815 228 A HN 0.580 nan 8.150 nan 0.000 0.443 229 Q N -0.534 119.343 119.800 0.128 0.000 2.084 229 Q HA -0.131 4.208 4.340 -0.000 0.000 0.202 229 Q C 2.158 178.216 176.000 0.097 0.000 0.978 229 Q CA 1.658 57.524 55.803 0.106 0.000 0.844 229 Q CB -0.333 28.493 28.738 0.147 0.000 0.898 229 Q HN 0.607 nan 8.270 nan 0.000 0.426 230 A N 0.500 123.389 122.820 0.114 0.000 1.930 230 A HA -0.210 4.110 4.320 -0.000 0.000 0.217 230 A C 1.868 179.496 177.584 0.075 0.000 1.175 230 A CA 1.516 53.603 52.037 0.083 0.000 0.627 230 A CB -0.561 18.485 19.000 0.077 0.000 0.815 230 A HN 0.601 nan 8.150 nan 0.000 0.443 231 E N -0.358 119.901 120.200 0.098 0.000 2.047 231 E HA -0.162 4.188 4.350 -0.000 0.000 0.191 231 E C 2.055 178.691 176.600 0.060 0.000 0.987 231 E CA 1.817 58.273 56.400 0.093 0.000 0.799 231 E CB -0.065 29.724 29.700 0.149 0.000 0.752 231 E HN 0.719 nan 8.360 nan 0.000 0.449 232 T N -3.771 110.814 114.554 0.051 0.000 3.044 232 T HA 0.217 4.567 4.350 -0.000 0.000 0.255 232 T C 1.563 176.275 174.700 0.020 0.000 1.073 232 T CA 0.690 62.805 62.100 0.025 0.000 1.125 232 T CB 0.428 69.301 68.868 0.008 0.000 0.908 232 T HN 0.349 nan 8.240 nan 0.000 0.480 233 G N 1.149 109.966 108.800 0.028 0.000 2.162 233 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.260 233 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.260 233 G C -0.246 174.662 174.900 0.013 0.000 0.976 233 G CA 0.223 45.337 45.100 0.023 0.000 0.655 233 G HN 0.670 nan 8.290 nan 0.000 0.533 234 E N -0.402 119.801 120.200 0.005 0.000 2.195 234 E HA 0.528 4.878 4.350 -0.000 0.000 0.271 234 E C 0.277 176.867 176.600 -0.017 0.000 0.923 234 E CA -1.030 55.360 56.400 -0.017 0.000 0.790 234 E CB 2.476 32.152 29.700 -0.040 0.000 1.155 234 E HN 0.063 nan 8.360 nan 0.000 0.402 235 V N 4.024 123.920 119.914 -0.030 0.000 2.599 235 V HA -0.024 4.096 4.120 -0.000 0.000 0.300 235 V C 0.228 176.281 176.094 -0.068 0.000 1.034 235 V CA 0.542 62.829 62.300 -0.022 0.000 1.115 235 V CB 0.040 31.849 31.823 -0.025 0.000 0.934 235 V HN 0.513 nan 8.190 nan 0.000 0.485 236 K N 3.211 123.599 120.400 -0.021 0.000 2.340 236 K HA 0.835 5.155 4.320 -0.000 0.000 0.244 236 K C 0.044 176.666 176.600 0.036 0.000 0.973 236 K CA -0.395 55.867 56.287 -0.041 0.000 0.828 236 K CB 2.350 34.847 32.500 -0.005 0.000 1.226 236 K HN 0.837 nan 8.250 nan 0.000 0.437 237 G N 0.153 109.022 108.800 0.116 0.000 2.684 237 G HA2 0.400 4.360 3.960 -0.000 0.000 0.290 237 G HA3 0.400 4.360 3.960 -0.000 0.000 0.290 237 G C -1.914 173.183 174.900 0.327 0.000 1.425 237 G CA -0.285 44.990 45.100 0.291 0.000 0.822 237 G HN 0.554 nan 8.290 nan 0.000 0.482 238 H N 0.237 119.382 119.070 0.124 0.000 2.934 238 H HA 0.305 4.861 4.556 -0.000 0.000 0.340 238 H C -1.146 174.200 175.328 0.030 0.000 1.008 238 H CA -0.568 55.477 56.048 -0.005 0.000 1.317 238 H CB 1.357 31.107 29.762 -0.021 0.000 1.670 238 H HN 0.377 nan 8.280 nan 0.000 0.516 239 Y N 5.557 125.595 120.300 -0.437 0.000 2.730 239 Y HA 0.105 4.655 4.550 -0.000 0.000 0.357 239 Y C 0.688 176.442 175.900 -0.243 0.000 1.167 239 Y CA -0.537 57.365 58.100 -0.329 0.000 1.579 239 Y CB -0.705 37.523 38.460 -0.387 0.000 1.262 239 Y HN 0.326 nan 8.280 nan 0.000 0.510 240 L N 3.727 124.945 121.223 -0.009 0.000 2.360 240 L HA 0.151 4.491 4.340 -0.000 0.000 0.276 240 L C 0.706 177.555 176.870 -0.035 0.000 1.121 240 L CA 0.056 54.795 54.840 -0.168 0.000 0.845 240 L CB 0.363 41.972 42.059 -0.751 0.000 1.143 240 L HN 0.614 nan 8.230 nan 0.000 0.452 241 N N 1.981 120.744 118.700 0.105 0.000 2.420 241 N HA 0.176 4.916 4.740 -0.000 0.000 0.262 241 N C 0.592 176.231 175.510 0.215 0.000 1.144 241 N CA -0.114 53.031 53.050 0.158 0.000 0.952 241 N CB 1.037 39.604 38.487 0.133 0.000 1.081 241 N HN 0.777 nan 8.380 nan 0.000 0.480 242 A N 2.699 125.606 122.820 0.144 0.000 2.238 242 A HA 0.064 4.384 4.320 -0.000 0.000 0.210 242 A C 0.690 178.293 177.584 0.032 0.000 1.179 242 A CA 0.012 52.080 52.037 0.051 0.000 0.827 242 A CB 0.026 19.028 19.000 0.004 0.000 0.856 242 A HN 0.592 nan 8.150 nan 0.000 0.488 243 T N 1.744 116.368 114.554 0.116 0.000 2.905 243 T HA 0.432 4.782 4.350 -0.000 0.000 0.299 243 T C 0.192 174.882 174.700 -0.018 0.000 1.024 243 T CA 0.929 63.080 62.100 0.086 0.000 1.151 243 T CB 0.588 69.439 68.868 -0.029 0.000 0.987 243 T HN 0.806 nan 8.240 nan 0.000 0.535 244 A N 2.321 125.127 122.820 -0.023 0.000 2.581 244 A HA 0.790 5.110 4.320 -0.000 0.000 0.290 244 A C 1.231 178.785 177.584 -0.050 0.000 1.119 244 A CA -0.307 51.684 52.037 -0.075 0.000 0.670 244 A CB 0.544 19.456 19.000 -0.148 0.000 1.280 244 A HN 0.759 nan 8.150 nan 0.000 0.425 245 G N -0.700 108.066 108.800 -0.056 0.000 2.448 245 G HA2 0.346 4.306 3.960 -0.000 0.000 0.218 245 G HA3 0.346 4.306 3.960 -0.000 0.000 0.218 245 G C 0.684 175.561 174.900 -0.037 0.000 1.135 245 G CA 1.816 46.891 45.100 -0.040 0.000 0.784 245 G HN 1.648 nan 8.290 nan 0.000 0.543 246 T N -4.190 110.335 114.554 -0.050 0.000 2.906 246 T HA 0.304 4.654 4.350 -0.000 0.000 0.295 246 T C 0.876 175.539 174.700 -0.063 0.000 1.075 246 T CA -0.301 61.771 62.100 -0.046 0.000 1.005 246 T CB 1.418 70.259 68.868 -0.044 0.000 1.136 246 T HN -0.077 nan 8.240 nan 0.000 0.498 247 C N 0.667 119.933 119.300 -0.056 0.000 2.422 247 C HA -0.013 4.447 4.460 -0.000 0.000 0.279 247 C C 2.599 177.528 174.990 -0.101 0.000 1.305 247 C CA 0.820 59.794 59.018 -0.075 0.000 1.757 247 C CB -1.354 26.353 27.740 -0.056 0.000 1.962 247 C HN 1.006 nan 8.230 nan 0.000 0.499 248 E N 0.918 121.068 120.200 -0.084 0.000 2.072 248 E HA -0.137 4.213 4.350 -0.000 0.000 0.191 248 E C 2.252 178.777 176.600 -0.125 0.000 0.985 248 E CA 0.965 57.312 56.400 -0.088 0.000 0.801 248 E CB -0.277 29.389 29.700 -0.057 0.000 0.750 248 E HN 0.531 nan 8.360 nan 0.000 0.452 249 E N 0.222 120.342 120.200 -0.134 0.000 2.072 249 E HA -0.173 4.177 4.350 -0.000 0.000 0.191 249 E C 2.055 178.471 176.600 -0.305 0.000 0.985 249 E CA 0.822 57.099 56.400 -0.204 0.000 0.801 249 E CB -0.313 29.282 29.700 -0.175 0.000 0.750 249 E HN 0.321 nan 8.360 nan 0.000 0.452 250 M N -0.128 119.331 119.600 -0.235 0.000 2.106 250 M HA -0.206 4.273 4.480 -0.000 0.000 0.259 250 M C 1.929 178.049 176.300 -0.299 0.000 1.068 250 M CA 1.443 56.597 55.300 -0.243 0.000 1.100 250 M CB 0.010 32.508 32.600 -0.170 0.000 1.351 250 M HN 0.028 nan 8.290 nan 0.000 0.404 251 M N 0.081 119.510 119.600 -0.284 0.000 2.175 251 M HA -0.142 4.338 4.480 -0.000 0.000 0.264 251 M C 1.927 178.027 176.300 -0.333 0.000 1.063 251 M CA 1.639 56.727 55.300 -0.353 0.000 1.119 251 M CB -1.160 31.275 32.600 -0.275 0.000 1.377 251 M HN 0.267 nan 8.290 nan 0.000 0.415 252 K N -0.064 120.175 120.400 -0.268 0.000 2.063 252 K HA -0.160 4.160 4.320 -0.000 0.000 0.208 252 K C 2.135 178.544 176.600 -0.318 0.000 1.048 252 K CA 1.404 57.564 56.287 -0.212 0.000 0.928 252 K CB -0.074 32.337 32.500 -0.148 0.000 0.713 252 K HN 0.312 nan 8.250 nan 0.000 0.442 253 R N -0.039 120.093 120.500 -0.613 0.000 2.075 253 R HA -0.042 4.298 4.340 -0.000 0.000 0.232 253 R C 2.366 178.631 176.300 -0.058 0.000 1.126 253 R CA 1.146 56.837 56.100 -0.681 0.000 0.963 253 R CB -0.285 29.515 30.300 -0.833 0.000 0.858 253 R HN 0.164 nan 8.270 nan 0.000 0.435 254 A N 1.177 123.902 122.820 -0.158 0.000 1.902 254 A HA -0.036 4.284 4.320 -0.000 0.000 0.217 254 A C 1.393 178.979 177.584 0.002 0.000 1.181 254 A CA 0.798 52.772 52.037 -0.106 0.000 0.623 254 A CB -0.442 18.294 19.000 -0.440 0.000 0.818 254 A HN 0.050 nan 8.150 nan 0.000 0.443 258 K N 0.862 121.398 120.400 0.228 0.000 2.032 258 K HA -0.177 4.143 4.320 -0.000 0.000 0.209 258 K C 1.457 178.156 176.600 0.165 0.000 1.048 258 K CA 2.022 58.429 56.287 0.199 0.000 0.927 258 K CB -0.210 32.438 32.500 0.246 0.000 0.712 258 K HN 0.606 nan 8.250 nan 0.000 0.441 259 E N 0.391 120.694 120.200 0.171 0.000 2.268 259 E HA -0.122 4.228 4.350 -0.000 0.000 0.195 259 E C 1.832 178.518 176.600 0.143 0.000 0.995 259 E CA 0.707 57.191 56.400 0.140 0.000 0.836 259 E CB 0.027 29.804 29.700 0.129 0.000 0.763 259 E HN 0.353 nan 8.360 nan 0.000 0.491 260 L N -0.519 120.810 121.223 0.178 0.000 2.554 260 L HA 0.124 4.464 4.340 -0.000 0.000 0.226 260 L C 1.476 178.492 176.870 0.243 0.000 1.137 260 L CA 0.357 55.318 54.840 0.200 0.000 0.863 260 L CB 0.004 42.187 42.059 0.206 0.000 0.985 260 L HN 0.246 nan 8.230 nan 0.000 0.451 261 G N 0.713 109.632 108.800 0.198 0.000 2.155 261 G HA2 -0.272 3.687 3.960 -0.000 0.000 0.257 261 G HA3 -0.272 3.687 3.960 -0.000 0.000 0.257 261 G C 0.419 175.462 174.900 0.238 0.000 0.983 261 G CA 0.327 45.548 45.100 0.202 0.000 0.676 261 G HN 0.279 nan 8.290 nan 0.000 0.528 262 V N -2.177 117.848 119.914 0.185 0.000 2.881 262 V HA 0.669 4.789 4.120 -0.000 0.000 0.303 262 V C 0.103 176.255 176.094 0.097 0.000 1.070 262 V CA -0.815 61.547 62.300 0.104 0.000 1.074 262 V CB 1.139 32.969 31.823 0.011 0.000 1.012 262 V HN 0.054 nan 8.190 nan 0.000 0.482 263 P HA 0.198 nan 4.420 nan 0.000 0.220 263 P C 0.169 177.504 177.300 0.059 0.000 1.152 263 P CA 0.930 64.083 63.100 0.088 0.000 0.812 263 P CB 0.475 32.258 31.700 0.138 0.000 0.792 264 I N -0.364 120.243 120.570 0.062 0.000 2.722 264 I HA 0.350 4.520 4.170 -0.000 0.000 0.292 264 I C -1.042 175.078 176.117 0.006 0.000 1.267 264 I CA -1.525 59.779 61.300 0.006 0.000 1.036 264 I CB 2.207 40.193 38.000 -0.023 0.000 1.281 264 I HN -0.237 nan 8.210 nan 0.000 0.423 265 I N 4.691 125.245 120.570 -0.026 0.000 3.067 265 I HA 0.696 4.865 4.170 -0.000 0.000 0.312 265 I C -0.805 175.302 176.117 -0.017 0.000 1.073 265 I CA -0.947 60.350 61.300 -0.006 0.000 1.016 265 I CB 2.138 40.156 38.000 0.029 0.000 1.227 265 I HN 0.700 nan 8.210 nan 0.000 0.456 266 M N 1.665 121.298 119.600 0.055 0.000 2.690 266 M HA 0.642 5.122 4.480 -0.000 0.000 0.302 266 M C -1.527 174.873 176.300 0.166 0.000 1.234 266 M CA -0.546 54.821 55.300 0.112 0.000 0.853 266 M CB 2.219 34.952 32.600 0.221 0.000 1.748 266 M HN 0.795 nan 8.290 nan 0.000 0.469 267 H N -0.295 118.797 119.070 0.037 0.000 2.954 267 H HA 0.439 4.995 4.556 -0.000 0.000 0.361 267 H C -1.981 173.384 175.328 0.061 0.000 1.122 267 H CA -0.486 55.576 56.048 0.023 0.000 1.217 267 H CB 1.744 31.503 29.762 -0.006 0.000 1.776 267 H HN 0.764 nan 8.280 nan 0.000 0.533 268 D N 4.845 124.960 120.400 -0.474 0.000 2.453 268 D HA 0.006 4.646 4.640 -0.000 0.000 0.223 268 D C 0.753 176.739 176.300 -0.523 0.000 1.183 268 D CA -0.168 53.639 54.000 -0.322 0.000 0.933 268 D CB -0.145 40.509 40.800 -0.243 0.000 1.038 268 D HN 0.609 nan 8.370 nan 0.000 0.513 269 Y N 1.161 121.210 120.300 -0.418 0.000 2.352 269 Y HA -0.048 4.502 4.550 -0.000 0.000 0.292 269 Y C 1.236 176.865 175.900 -0.451 0.000 1.136 269 Y CA 0.893 58.786 58.100 -0.346 0.000 1.227 269 Y CB -0.458 37.876 38.460 -0.210 0.000 0.991 269 Y HN 0.241 nan 8.280 nan 0.000 0.545 270 L N 0.331 121.051 121.223 -0.838 0.000 2.202 270 L HA -0.032 4.307 4.340 -0.000 0.000 0.205 270 L C 2.639 179.254 176.870 -0.424 0.000 1.083 270 L CA 1.398 55.768 54.840 -0.783 0.000 0.790 270 L CB -0.723 40.896 42.059 -0.734 0.000 0.942 270 L HN 0.403 nan 8.230 nan 0.000 0.452 271 T N -3.464 110.900 114.554 -0.317 0.000 2.942 271 T HA -0.007 4.343 4.350 -0.000 0.000 0.265 271 T C 1.873 176.464 174.700 -0.183 0.000 1.062 271 T CA 0.848 62.822 62.100 -0.210 0.000 1.139 271 T CB -0.457 68.316 68.868 -0.159 0.000 0.883 271 T HN 0.308 nan 8.240 nan 0.000 0.468 272 G N 1.267 109.926 108.800 -0.235 0.000 2.396 272 G HA2 0.443 4.403 3.960 -0.000 0.000 0.214 272 G HA3 0.443 4.403 3.960 -0.000 0.000 0.214 272 G C 0.859 175.737 174.900 -0.037 0.000 1.166 272 G CA 0.200 45.238 45.100 -0.104 0.000 0.793 272 G HN 1.242 nan 8.290 nan 0.000 0.533 273 G N -1.882 106.844 108.800 -0.124 0.000 2.587 273 G HA2 -0.015 3.945 3.960 -0.000 0.000 0.686 273 G HA3 -0.015 3.945 3.960 -0.000 0.000 0.686 273 G C 0.116 174.978 174.900 -0.063 0.000 1.236 273 G CA -0.201 44.810 45.100 -0.148 0.000 0.820 273 G HN 0.063 nan 8.290 nan 0.000 0.645 274 F N 0.671 120.614 119.950 -0.011 0.000 2.171 274 F HA -0.024 4.503 4.527 -0.000 0.000 0.300 274 F C 3.108 178.923 175.800 0.025 0.000 1.090 274 F CA 2.369 60.373 58.000 0.006 0.000 1.293 274 F CB -0.606 38.341 39.000 -0.088 0.000 1.013 274 F HN 0.558 nan 8.300 nan 0.000 0.486 275 T N -0.222 114.446 114.554 0.189 0.000 2.674 275 T HA -0.174 4.176 4.350 -0.000 0.000 0.265 275 T C 2.329 177.070 174.700 0.068 0.000 1.039 275 T CA 1.411 63.578 62.100 0.112 0.000 1.150 275 T CB -0.734 68.181 68.868 0.079 0.000 0.864 275 T HN 0.272 nan 8.240 nan 0.000 0.427 276 A N 2.116 124.967 122.820 0.052 0.000 1.902 276 A HA -0.176 4.144 4.320 -0.000 0.000 0.217 276 A C 2.270 179.797 177.584 -0.094 0.000 1.181 276 A CA 1.730 53.759 52.037 -0.013 0.000 0.623 276 A CB -0.852 18.159 19.000 0.019 0.000 0.818 276 A HN 0.542 nan 8.150 nan 0.000 0.443 277 N N -0.562 118.149 118.700 0.019 0.000 2.084 277 N HA -0.148 4.592 4.740 -0.000 0.000 0.190 277 N C 1.656 177.167 175.510 0.002 0.000 1.030 277 N CA 2.096 55.144 53.050 -0.003 0.000 0.849 277 N CB -0.197 38.436 38.487 0.244 0.000 1.012 277 N HN 0.452 nan 8.380 nan 0.000 0.423 278 T N 0.136 114.734 114.554 0.073 0.000 2.746 278 T HA -0.061 4.289 4.350 -0.000 0.000 0.267 278 T C 2.146 176.857 174.700 0.019 0.000 1.039 278 T CA 1.281 63.419 62.100 0.064 0.000 1.142 278 T CB -0.350 68.578 68.868 0.101 0.000 0.866 278 T HN 0.201 nan 8.240 nan 0.000 0.444 279 S N 1.324 117.024 115.700 0.001 0.000 2.359 279 S HA -0.084 4.386 4.470 -0.000 0.000 0.223 279 S C 1.950 176.542 174.600 -0.013 0.000 1.039 279 S CA 0.948 59.142 58.200 -0.010 0.000 1.042 279 S CB -0.571 62.611 63.200 -0.029 0.000 0.915 279 S HN 0.253 nan 8.310 nan 0.000 0.439 280 L N 1.591 122.762 121.223 -0.086 0.000 2.083 280 L HA -0.023 4.317 4.340 -0.000 0.000 0.209 280 L C 2.322 179.192 176.870 0.000 0.000 1.083 280 L CA 1.809 56.595 54.840 -0.089 0.000 0.752 280 L CB -0.950 40.945 42.059 -0.274 0.000 0.899 280 L HN 0.265 nan 8.230 nan 0.000 0.433 281 A N -0.509 122.296 122.820 -0.025 0.000 1.898 281 A HA -0.153 4.167 4.320 -0.000 0.000 0.216 281 A C 2.252 179.825 177.584 -0.019 0.000 1.181 281 A CA 1.891 53.913 52.037 -0.024 0.000 0.620 281 A CB -0.780 18.200 19.000 -0.034 0.000 0.819 281 A HN 0.477 nan 8.150 nan 0.000 0.442 282 I N -2.034 118.536 120.570 0.001 0.000 2.226 282 I HA -0.268 3.902 4.170 -0.000 0.000 0.245 282 I C 2.447 178.570 176.117 0.010 0.000 1.100 282 I CA 1.720 63.017 61.300 -0.005 0.000 1.374 282 I CB -0.403 37.601 38.000 0.008 0.000 1.057 282 I HN 0.536 nan 8.210 nan 0.000 0.413 283 Y N 0.986 121.257 120.300 -0.048 0.000 2.181 283 Y HA -0.336 4.214 4.550 -0.000 0.000 0.288 283 Y C 2.744 178.631 175.900 -0.020 0.000 1.146 283 Y CA 1.734 59.814 58.100 -0.033 0.000 1.164 283 Y CB -0.382 38.055 38.460 -0.038 0.000 0.982 283 Y HN 0.194 nan 8.280 nan 0.000 0.515 284 C N 0.108 119.474 119.300 0.109 0.000 2.429 284 C HA -0.155 4.305 4.460 -0.000 0.000 0.277 284 C C 2.732 177.699 174.990 -0.039 0.000 1.262 284 C CA 1.434 60.490 59.018 0.065 0.000 1.733 284 C CB -1.242 26.550 27.740 0.088 0.000 2.010 284 C HN 0.583 nan 8.230 nan 0.000 0.483 285 R N 1.777 122.193 120.500 -0.141 0.000 2.091 285 R HA -0.121 4.219 4.340 -0.000 0.000 0.238 285 R C 1.446 177.661 176.300 -0.141 0.000 1.136 285 R CA 2.075 58.041 56.100 -0.225 0.000 0.959 285 R CB -0.832 29.351 30.300 -0.196 0.000 0.856 285 R HN 0.454 nan 8.270 nan 0.000 0.437 286 D N -0.586 119.716 120.400 -0.162 0.000 2.317 286 D HA -0.013 4.627 4.640 -0.000 0.000 0.211 286 D C 0.449 176.629 176.300 -0.200 0.000 0.966 286 D CA 0.735 54.634 54.000 -0.169 0.000 0.876 286 D CB 0.071 40.763 40.800 -0.181 0.000 0.927 286 D HN 0.350 nan 8.370 nan 0.000 0.519 287 N N -0.718 117.834 118.700 -0.247 0.000 2.159 287 N HA 0.108 4.848 4.740 -0.000 0.000 0.217 287 N C 0.814 176.301 175.510 -0.039 0.000 1.223 287 N CA 0.388 53.312 53.050 -0.209 0.000 0.896 287 N CB 1.955 40.170 38.487 -0.455 0.000 1.064 287 N HN 0.058 nan 8.380 nan 0.000 0.518 288 G N 1.776 110.609 108.800 0.056 0.000 2.225 288 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.264 288 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.264 288 G C -0.265 174.699 174.900 0.107 0.000 1.060 288 G CA 0.011 45.208 45.100 0.161 0.000 0.833 288 G HN 0.215 nan 8.290 nan 0.000 0.498 289 L N -0.162 121.169 121.223 0.181 0.000 2.307 289 L HA 0.574 4.913 4.340 -0.000 0.000 0.282 289 L C 1.170 178.119 176.870 0.133 0.000 1.051 289 L CA -1.065 53.845 54.840 0.116 0.000 0.804 289 L CB 1.292 43.433 42.059 0.136 0.000 1.197 289 L HN 0.095 nan 8.230 nan 0.000 0.431 290 L N 3.512 124.720 121.223 -0.025 0.000 2.439 290 L HA 0.212 4.552 4.340 -0.000 0.000 0.269 290 L C -0.464 176.347 176.870 -0.097 0.000 1.179 290 L CA -0.246 54.556 54.840 -0.064 0.000 0.828 290 L CB 0.925 42.880 42.059 -0.173 0.000 1.106 290 L HN 0.375 nan 8.230 nan 0.000 0.467 291 L N 2.821 123.953 121.223 -0.153 0.000 2.372 291 L HA 0.339 4.679 4.340 -0.000 0.000 0.273 291 L C -0.592 176.078 176.870 -0.334 0.000 0.989 291 L CA -0.255 54.480 54.840 -0.175 0.000 0.841 291 L CB 1.054 43.062 42.059 -0.085 0.000 1.225 291 L HN 0.453 nan 8.230 nan 0.000 0.414 292 H N 5.319 124.085 119.070 -0.506 0.000 2.527 292 H HA 0.578 5.134 4.556 -0.000 0.000 0.321 292 H C -0.843 174.354 175.328 -0.219 0.000 1.087 292 H CA -0.457 55.247 56.048 -0.573 0.000 1.337 292 H CB 0.779 29.925 29.762 -1.027 0.000 1.440 292 H HN 0.480 nan 8.280 nan 0.000 0.490 293 I N 5.720 125.890 120.570 -0.666 0.000 2.339 293 I HA 0.121 4.291 4.170 -0.000 0.000 0.290 293 I C 0.129 176.041 176.117 -0.341 0.000 0.994 293 I CA -0.418 60.659 61.300 -0.371 0.000 1.191 293 I CB 0.860 38.639 38.000 -0.368 0.000 1.343 293 I HN 0.723 nan 8.210 nan 0.000 0.458 294 H N 7.368 126.336 119.070 -0.171 0.000 2.473 294 H HA 0.326 4.882 4.556 -0.000 0.000 0.327 294 H C 0.302 175.587 175.328 -0.072 0.000 1.105 294 H CA -0.439 55.480 56.048 -0.215 0.000 1.280 294 H CB 1.447 31.128 29.762 -0.136 0.000 1.450 294 H HN 0.578 nan 8.280 nan 0.000 0.492 295 R N 3.055 123.302 120.500 -0.421 0.000 2.586 295 R HA 0.420 4.760 4.340 -0.000 0.000 0.306 295 R C 0.125 176.401 176.300 -0.039 0.000 1.079 295 R CA -0.491 55.566 56.100 -0.072 0.000 1.083 295 R CB 0.027 30.249 30.300 -0.130 0.000 1.306 295 R HN 0.354 nan 8.270 nan 0.000 0.567 296 A N 1.561 124.444 122.820 0.105 0.000 2.584 296 A HA 0.054 4.374 4.320 -0.000 0.000 0.239 296 A C 0.949 178.524 177.584 -0.015 0.000 1.043 296 A CA 0.862 52.983 52.037 0.140 0.000 0.756 296 A CB -0.179 18.915 19.000 0.157 0.000 0.963 296 A HN 0.868 nan 8.150 nan 0.000 0.511 297 M N 0.466 120.046 119.600 -0.032 0.000 3.007 297 M HA -0.303 4.177 4.480 -0.000 0.000 0.210 297 M C 1.034 177.270 176.300 -0.107 0.000 0.585 297 M CA 1.871 57.115 55.300 -0.093 0.000 0.804 297 M CB -2.046 30.484 32.600 -0.116 0.000 2.870 297 M HN 1.268 nan 8.290 nan 0.000 0.297 298 H N -0.741 118.254 119.070 -0.125 0.000 2.352 298 H HA 0.172 4.728 4.556 -0.000 0.000 0.299 298 H C 1.742 177.031 175.328 -0.064 0.000 1.097 298 H CA 2.095 58.097 56.048 -0.077 0.000 1.311 298 H CB -0.590 29.158 29.762 -0.024 0.000 1.377 298 H HN 0.497 nan 8.280 nan 0.000 0.504 299 A N 1.167 123.447 122.820 -0.900 0.000 2.121 299 A HA -0.016 4.304 4.320 -0.000 0.000 0.218 299 A C 2.507 179.932 177.584 -0.263 0.000 1.154 299 A CA 1.075 52.744 52.037 -0.613 0.000 0.679 299 A CB -0.750 17.870 19.000 -0.633 0.000 0.795 299 A HN 0.366 nan 8.150 nan 0.000 0.458 300 V N -0.212 119.582 119.914 -0.200 0.000 2.392 300 V HA -0.267 3.853 4.120 -0.000 0.000 0.249 300 V C 2.216 178.274 176.094 -0.060 0.000 1.059 300 V CA 2.242 64.479 62.300 -0.105 0.000 1.051 300 V CB -0.544 31.226 31.823 -0.087 0.000 0.658 300 V HN 0.624 nan 8.190 nan 0.000 0.455 301 I N 0.442 120.977 120.570 -0.059 0.000 3.081 301 I HA -0.006 4.164 4.170 -0.000 0.000 0.274 301 I C 1.667 177.785 176.117 0.001 0.000 1.178 301 I CA 1.046 62.335 61.300 -0.019 0.000 1.460 301 I CB -0.029 37.968 38.000 -0.005 0.000 1.137 301 I HN 0.463 nan 8.210 nan 0.000 0.443 302 D N -0.580 119.810 120.400 -0.017 0.000 2.469 302 D HA -0.024 4.616 4.640 -0.000 0.000 0.213 302 D C 1.850 178.133 176.300 -0.029 0.000 1.135 302 D CA -0.045 53.954 54.000 -0.002 0.000 0.834 302 D CB 0.006 40.843 40.800 0.062 0.000 1.009 302 D HN -0.092 nan 8.370 nan 0.000 0.507 303 R N 0.328 120.804 120.500 -0.041 0.000 2.062 303 R HA 0.049 4.389 4.340 -0.000 0.000 0.229 303 R C 0.440 176.755 176.300 0.025 0.000 1.128 303 R CA 1.185 57.267 56.100 -0.031 0.000 0.960 303 R CB -0.215 30.047 30.300 -0.063 0.000 0.855 303 R HN 0.046 nan 8.270 nan 0.000 0.432 304 Q N 0.541 120.370 119.800 0.049 0.000 2.261 304 Q HA 0.078 4.418 4.340 -0.000 0.000 0.252 304 Q C 0.366 176.433 176.000 0.113 0.000 0.915 304 Q CA 0.057 55.908 55.803 0.079 0.000 0.915 304 Q CB 1.350 30.142 28.738 0.089 0.000 1.204 304 Q HN 0.241 nan 8.270 nan 0.000 0.421 305 R N 2.409 122.976 120.500 0.111 0.000 2.120 305 R HA -0.145 4.195 4.340 -0.000 0.000 0.234 305 R C 1.274 177.650 176.300 0.127 0.000 1.123 305 R CA 1.690 57.865 56.100 0.125 0.000 0.975 305 R CB 0.296 30.658 30.300 0.104 0.000 0.866 305 R HN 0.650 nan 8.270 nan 0.000 0.446 306 N N -1.211 117.568 118.700 0.132 0.000 2.392 306 N HA -0.100 4.640 4.740 -0.000 0.000 0.177 306 N C -0.365 175.277 175.510 0.219 0.000 1.066 306 N CA 0.633 53.770 53.050 0.145 0.000 0.895 306 N CB 0.141 38.701 38.487 0.121 0.000 0.988 306 N HN 0.261 nan 8.380 nan 0.000 0.457 307 H N -1.435 117.708 119.070 0.122 0.000 3.029 307 H HA 0.562 5.118 4.556 -0.000 0.000 0.358 307 H C 0.083 175.513 175.328 0.170 0.000 1.129 307 H CA 0.382 56.534 56.048 0.173 0.000 1.230 307 H CB 1.443 31.294 29.762 0.148 0.000 1.827 307 H HN 0.322 nan 8.280 nan 0.000 0.530 308 G N 2.577 111.340 108.800 -0.063 0.000 2.250 308 G HA2 -0.013 3.947 3.960 -0.000 0.000 0.196 308 G HA3 -0.013 3.947 3.960 -0.000 0.000 0.196 308 G C -1.529 173.362 174.900 -0.016 0.000 1.308 308 G CA -0.285 44.785 45.100 -0.051 0.000 1.207 308 G HN 0.648 nan 8.290 nan 0.000 0.505 309 I N 0.918 121.479 120.570 -0.016 0.000 2.534 309 I HA 0.333 4.503 4.170 -0.000 0.000 0.288 309 I C 0.041 176.199 176.117 0.068 0.000 1.077 309 I CA -0.868 60.435 61.300 0.005 0.000 1.051 309 I CB 2.061 40.027 38.000 -0.057 0.000 1.234 309 I HN 0.674 nan 8.210 nan 0.000 0.425 310 H N 4.837 123.924 119.070 0.028 0.000 2.790 310 H HA 0.010 4.566 4.556 -0.000 0.000 0.358 310 H C 0.450 175.841 175.328 0.105 0.000 1.103 310 H CA 0.669 56.771 56.048 0.090 0.000 1.426 310 H CB 1.076 30.885 29.762 0.078 0.000 1.424 310 H HN 0.660 nan 8.280 nan 0.000 0.599 311 F N 5.306 125.037 119.950 -0.364 0.000 2.202 311 F HA -0.213 4.314 4.527 -0.000 0.000 0.301 311 F C 2.591 178.319 175.800 -0.120 0.000 1.082 311 F CA 1.685 59.548 58.000 -0.228 0.000 1.313 311 F CB -0.096 38.649 39.000 -0.424 0.000 1.024 311 F HN 0.676 nan 8.300 nan 0.000 0.495 312 R N -0.322 120.247 120.500 0.115 0.000 2.127 312 R HA -0.122 4.218 4.340 -0.000 0.000 0.238 312 R C 1.740 178.011 176.300 -0.048 0.000 1.134 312 R CA 1.932 58.066 56.100 0.056 0.000 0.975 312 R CB -1.380 29.154 30.300 0.389 0.000 0.865 312 R HN 0.306 nan 8.270 nan 0.000 0.447 313 V N 1.844 121.758 119.914 -0.001 0.000 2.407 313 V HA -0.135 3.985 4.120 -0.000 0.000 0.245 313 V C 2.444 178.566 176.094 0.047 0.000 1.041 313 V CA 1.391 63.696 62.300 0.009 0.000 1.040 313 V CB -0.365 31.443 31.823 -0.025 0.000 0.671 313 V HN 0.266 nan 8.190 nan 0.000 0.455 314 L N 0.314 121.526 121.223 -0.019 0.000 2.131 314 L HA -0.123 4.217 4.340 -0.000 0.000 0.210 314 L C 2.687 179.466 176.870 -0.150 0.000 1.092 314 L CA 1.437 56.320 54.840 0.072 0.000 0.759 314 L CB -0.848 41.252 42.059 0.069 0.000 0.903 314 L HN 0.354 nan 8.230 nan 0.000 0.435 315 A N 0.285 122.721 122.820 -0.641 0.000 1.897 315 A HA -0.163 4.157 4.320 -0.000 0.000 0.215 315 A C 2.362 179.830 177.584 -0.194 0.000 1.181 315 A CA 1.299 52.996 52.037 -0.566 0.000 0.620 315 A CB -0.275 18.253 19.000 -0.788 0.000 0.821 315 A HN 0.271 nan 8.150 nan 0.000 0.443 316 K N -0.207 120.173 120.400 -0.033 0.000 2.103 316 K HA -0.117 4.203 4.320 -0.000 0.000 0.207 316 K C 2.245 178.897 176.600 0.086 0.000 1.048 316 K CA 1.203 57.602 56.287 0.187 0.000 0.930 316 K CB -0.313 32.340 32.500 0.255 0.000 0.716 316 K HN 0.450 nan 8.250 nan 0.000 0.444 317 A N 1.697 124.549 122.820 0.053 0.000 1.930 317 A HA -0.113 4.207 4.320 -0.000 0.000 0.217 317 A C 2.037 179.608 177.584 -0.021 0.000 1.175 317 A CA 0.825 52.843 52.037 -0.031 0.000 0.627 317 A CB -0.434 18.580 19.000 0.023 0.000 0.815 317 A HN 0.215 nan 8.150 nan 0.000 0.443 318 L N -0.268 120.972 121.223 0.029 0.000 2.027 318 L HA -0.148 4.192 4.340 -0.000 0.000 0.206 318 L C 2.503 179.240 176.870 -0.221 0.000 1.074 318 L CA 2.336 57.070 54.840 -0.176 0.000 0.745 318 L CB -0.859 40.854 42.059 -0.576 0.000 0.898 318 L HN 0.530 nan 8.230 nan 0.000 0.433 319 R N -0.456 119.891 120.500 -0.255 0.000 2.096 319 R HA -0.232 4.108 4.340 -0.000 0.000 0.240 319 R C 2.349 178.476 176.300 -0.288 0.000 1.139 319 R CA 2.274 58.167 56.100 -0.344 0.000 0.952 319 R CB -0.184 29.750 30.300 -0.609 0.000 0.854 319 R HN 0.371 nan 8.270 nan 0.000 0.436 320 M N -0.928 118.507 119.600 -0.274 0.000 2.099 320 M HA -0.135 4.345 4.480 -0.000 0.000 0.262 320 M C 2.534 178.679 176.300 -0.260 0.000 1.067 320 M CA 1.837 56.864 55.300 -0.454 0.000 1.124 320 M CB -0.251 31.769 32.600 -0.966 0.000 1.353 320 M HN 0.150 nan 8.290 nan 0.000 0.410 321 S N -0.376 115.233 115.700 -0.151 0.000 2.368 321 S HA 0.101 4.571 4.470 -0.000 0.000 0.224 321 S C 0.842 175.454 174.600 0.019 0.000 1.029 321 S CA 1.191 59.411 58.200 0.033 0.000 0.988 321 S CB -0.319 62.991 63.200 0.183 0.000 0.838 321 S HN 0.664 nan 8.310 nan 0.000 0.462 322 G N -1.398 107.365 108.800 -0.062 0.000 3.162 322 G HA2 0.418 4.378 3.960 -0.000 0.000 0.599 322 G HA3 0.418 4.378 3.960 -0.000 0.000 0.599 322 G C -0.342 174.482 174.900 -0.125 0.000 1.335 322 G CA -0.461 44.587 45.100 -0.087 0.000 1.091 322 G HN 0.972 nan 8.290 nan 0.000 0.570 323 G N 0.675 109.379 108.800 -0.161 0.000 2.733 323 G HA2 0.598 4.558 3.960 -0.000 0.000 0.297 323 G HA3 0.598 4.558 3.960 -0.000 0.000 0.297 323 G C -0.113 174.694 174.900 -0.155 0.000 1.452 323 G CA 0.113 45.105 45.100 -0.180 0.000 0.940 323 G HN 0.312 nan 8.290 nan 0.000 0.547 324 D N -0.191 120.121 120.400 -0.145 0.000 2.240 324 D HA 0.074 4.714 4.640 -0.000 0.000 0.206 324 D C 0.384 176.717 176.300 0.055 0.000 0.963 324 D CA 1.085 55.042 54.000 -0.071 0.000 0.863 324 D CB 0.319 41.068 40.800 -0.085 0.000 0.973 324 D HN 0.592 nan 8.370 nan 0.000 0.501 325 H N -0.760 118.173 119.070 -0.228 0.000 2.622 325 H HA 0.555 5.111 4.556 -0.000 0.000 0.363 325 H C -1.107 174.016 175.328 -0.343 0.000 1.151 325 H CA -1.079 54.811 56.048 -0.262 0.000 1.184 325 H CB 2.692 32.290 29.762 -0.275 0.000 1.643 325 H HN -0.130 nan 8.280 nan 0.000 0.531 326 L N 1.981 123.129 121.223 -0.125 0.000 2.464 326 L HA 0.227 4.567 4.340 -0.000 0.000 0.266 326 L C -0.780 176.070 176.870 -0.034 0.000 0.965 326 L CA -0.386 54.375 54.840 -0.131 0.000 0.833 326 L CB 1.542 43.520 42.059 -0.134 0.000 1.296 326 L HN 0.719 nan 8.230 nan 0.000 0.405 327 H N 2.584 121.534 119.070 -0.200 0.000 2.928 327 H HA 0.170 4.726 4.556 -0.000 0.000 0.338 327 H C 0.264 175.492 175.328 -0.167 0.000 1.047 327 H CA 0.786 56.716 56.048 -0.197 0.000 1.435 327 H CB 0.968 30.546 29.762 -0.307 0.000 1.428 327 H HN 0.785 nan 8.280 nan 0.000 0.590 328 S N 1.554 117.256 115.700 0.004 0.000 2.604 328 S HA 0.319 4.789 4.470 -0.000 0.000 0.235 328 S C 0.943 175.672 174.600 0.214 0.000 1.043 328 S CA 0.114 58.441 58.200 0.212 0.000 0.997 328 S CB 1.295 64.741 63.200 0.410 0.000 0.956 328 S HN 1.098 nan 8.310 nan 0.000 0.535 329 G N 1.011 109.840 108.800 0.048 0.000 2.663 329 G HA2 0.014 3.974 3.960 -0.000 0.000 0.686 329 G HA3 0.014 3.974 3.960 -0.000 0.000 0.686 329 G C 0.209 175.195 174.900 0.144 0.000 1.288 329 G CA 0.214 45.356 45.100 0.070 0.000 0.836 329 G HN 0.966 nan 8.290 nan 0.000 0.584 330 T N -2.969 111.629 114.554 0.074 0.000 2.954 330 T HA 0.641 4.991 4.350 -0.000 0.000 0.252 330 T C 2.107 176.842 174.700 0.058 0.000 0.983 330 T CA 1.920 64.063 62.100 0.073 0.000 0.941 330 T CB 0.374 69.181 68.868 -0.101 0.000 1.141 330 T HN 2.773 nan 8.240 nan 0.000 0.500 331 A N 1.148 123.983 122.820 0.025 0.000 2.070 331 A HA -0.279 4.041 4.320 -0.000 0.000 0.231 331 A C 1.811 179.389 177.584 -0.011 0.000 0.501 331 A CA 2.540 54.578 52.037 0.002 0.000 1.119 331 A CB -2.307 16.680 19.000 -0.022 0.000 1.430 331 A HN 1.490 nan 8.150 nan 0.000 0.706 332 V N -2.198 117.669 119.914 -0.078 0.000 3.644 332 V HA 0.624 4.744 4.120 -0.000 0.000 0.267 332 V C 1.432 177.415 176.094 -0.186 0.000 1.277 332 V CA 1.051 63.278 62.300 -0.122 0.000 1.096 332 V CB -0.584 31.109 31.823 -0.217 0.000 0.828 332 V HN 1.621 nan 8.190 nan 0.000 0.446 333 G N 1.403 110.057 108.800 -0.244 0.000 2.509 333 G HA2 0.270 4.230 3.960 -0.000 0.000 0.269 333 G HA3 0.270 4.230 3.960 -0.000 0.000 0.269 333 G C 0.742 175.370 174.900 -0.453 0.000 1.416 333 G CA 0.093 44.992 45.100 -0.336 0.000 1.052 333 G HN 0.490 nan 8.290 nan 0.000 0.542 334 K N -1.213 118.696 120.400 -0.818 0.000 2.418 334 K HA 0.169 4.489 4.320 -0.000 0.000 0.195 334 K C 0.154 176.561 176.600 -0.321 0.000 1.035 334 K CA 0.249 56.026 56.287 -0.850 0.000 1.003 334 K CB -0.174 31.791 32.500 -0.892 0.000 0.793 334 K HN 0.178 nan 8.250 nan 0.000 0.494 335 L N 1.941 123.029 121.223 -0.226 0.000 2.331 335 L HA 0.298 4.638 4.340 -0.000 0.000 0.275 335 L C -0.066 176.767 176.870 -0.063 0.000 1.022 335 L CA -0.881 53.884 54.840 -0.125 0.000 0.812 335 L CB 1.810 43.810 42.059 -0.098 0.000 1.257 335 L HN 0.109 nan 8.230 nan 0.000 0.435 336 E N 1.119 121.298 120.200 -0.036 0.000 2.373 336 E HA 0.510 4.860 4.350 -0.000 0.000 0.267 336 E C -0.386 176.240 176.600 0.042 0.000 1.032 336 E CA -0.086 56.321 56.400 0.012 0.000 0.889 336 E CB 0.814 30.519 29.700 0.009 0.000 0.984 336 E HN 0.751 nan 8.360 nan 0.000 0.425 337 G N 3.795 112.636 108.800 0.068 0.000 1.959 337 G HA2 -0.006 3.954 3.960 -0.000 0.000 0.289 337 G HA3 -0.006 3.954 3.960 -0.000 0.000 0.289 337 G C -1.112 173.835 174.900 0.078 0.000 1.705 337 G CA -0.821 44.344 45.100 0.109 0.000 0.913 337 G HN 0.511 nan 8.290 nan 0.000 0.686 338 E N 1.391 121.638 120.200 0.079 0.000 2.383 338 E HA 0.152 4.502 4.350 -0.000 0.000 0.264 338 E C 1.378 177.966 176.600 -0.020 0.000 1.050 338 E CA -0.597 55.825 56.400 0.036 0.000 0.896 338 E CB 1.810 31.538 29.700 0.047 0.000 0.982 338 E HN 0.568 nan 8.360 nan 0.000 0.424 339 R N 2.041 122.514 120.500 -0.045 0.000 2.113 339 R HA -0.222 4.118 4.340 -0.000 0.000 0.244 339 R C 1.522 177.737 176.300 -0.142 0.000 1.142 339 R CA 1.650 57.685 56.100 -0.107 0.000 0.953 339 R CB 0.146 30.394 30.300 -0.087 0.000 0.860 339 R HN 0.498 nan 8.270 nan 0.000 0.438 340 E N -0.157 119.986 120.200 -0.095 0.000 2.072 340 E HA -0.114 4.236 4.350 -0.000 0.000 0.190 340 E C 2.109 178.634 176.600 -0.126 0.000 0.982 340 E CA 1.088 57.429 56.400 -0.098 0.000 0.803 340 E CB -0.156 29.511 29.700 -0.056 0.000 0.755 340 E HN 0.217 nan 8.360 nan 0.000 0.453 341 V N 1.689 121.548 119.914 -0.092 0.000 2.295 341 V HA -0.243 3.877 4.120 -0.000 0.000 0.246 341 V C 2.451 178.278 176.094 -0.444 0.000 1.049 341 V CA 1.440 63.691 62.300 -0.082 0.000 1.024 341 V CB -0.474 31.423 31.823 0.123 0.000 0.648 341 V HN 0.180 nan 8.190 nan 0.000 0.447 342 I N -0.481 119.778 120.570 -0.519 0.000 2.179 342 I HA -0.264 3.906 4.170 -0.000 0.000 0.242 342 I C 2.370 178.023 176.117 -0.773 0.000 1.088 342 I CA 1.622 62.367 61.300 -0.925 0.000 1.357 342 I CB -0.345 37.459 38.000 -0.327 0.000 1.051 342 I HN 0.244 nan 8.210 nan 0.000 0.409 343 L N 0.399 121.365 121.223 -0.429 0.000 2.081 343 L HA -0.197 4.143 4.340 -0.000 0.000 0.212 343 L C 2.617 179.366 176.870 -0.202 0.000 1.080 343 L CA 1.581 56.252 54.840 -0.280 0.000 0.754 343 L CB -1.134 40.801 42.059 -0.207 0.000 0.893 343 L HN 0.364 nan 8.230 nan 0.000 0.433 344 G N 0.773 109.440 108.800 -0.220 0.000 2.414 344 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.215 344 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.215 344 G C 1.271 176.186 174.900 0.025 0.000 1.188 344 G CA 0.935 45.986 45.100 -0.081 0.000 0.783 344 G HN 0.475 nan 8.290 nan 0.000 0.537 345 F N 0.690 120.722 119.950 0.137 0.000 2.456 345 F HA 0.239 4.766 4.527 -0.000 0.000 0.298 345 F C 2.179 178.063 175.800 0.139 0.000 1.104 345 F CA -0.142 57.952 58.000 0.157 0.000 1.435 345 F CB -0.948 38.177 39.000 0.208 0.000 1.078 345 F HN -0.009 nan 8.300 nan 0.000 0.546 346 V N 1.347 121.400 119.914 0.232 0.000 2.343 346 V HA -0.273 3.847 4.120 -0.000 0.000 0.247 346 V C 2.131 178.314 176.094 0.148 0.000 1.051 346 V CA 2.369 64.801 62.300 0.219 0.000 1.036 346 V CB -0.693 31.209 31.823 0.132 0.000 0.654 346 V HN 0.237 nan 8.190 nan 0.000 0.451 347 D N -0.041 120.423 120.400 0.107 0.000 2.117 347 D HA -0.113 4.527 4.640 -0.000 0.000 0.197 347 D C 2.107 178.503 176.300 0.161 0.000 0.987 347 D CA 1.144 55.209 54.000 0.110 0.000 0.829 347 D CB -0.271 40.581 40.800 0.086 0.000 0.961 347 D HN 0.331 nan 8.370 nan 0.000 0.460 348 L N -0.187 121.167 121.223 0.218 0.000 2.131 348 L HA -0.119 4.221 4.340 -0.000 0.000 0.210 348 L C 2.428 179.407 176.870 0.181 0.000 1.092 348 L CA 0.779 55.813 54.840 0.323 0.000 0.759 348 L CB -0.245 42.023 42.059 0.349 0.000 0.903 348 L HN 0.060 nan 8.230 nan 0.000 0.435 349 M N -1.389 118.262 119.600 0.085 0.000 2.236 349 M HA -0.101 4.379 4.480 -0.000 0.000 0.266 349 M C 2.247 178.448 176.300 -0.166 0.000 1.070 349 M CA 1.565 56.817 55.300 -0.080 0.000 1.137 349 M CB -0.070 32.550 32.600 0.032 0.000 1.378 349 M HN 0.109 nan 8.290 nan 0.000 0.426 350 R N -0.544 119.926 120.500 -0.051 0.000 2.195 350 R HA 0.100 4.440 4.340 -0.000 0.000 0.197 350 R C -0.075 176.207 176.300 -0.029 0.000 0.990 350 R CA 0.282 56.359 56.100 -0.038 0.000 1.048 350 R CB 0.291 30.610 30.300 0.031 0.000 0.997 350 R HN 0.248 nan 8.270 nan 0.000 0.502 351 D N 0.131 120.548 120.400 0.028 0.000 2.340 351 D HA 0.014 4.654 4.640 -0.000 0.000 0.251 351 D C 0.230 176.635 176.300 0.175 0.000 1.080 351 D CA -0.107 53.957 54.000 0.106 0.000 0.971 351 D CB 1.255 42.147 40.800 0.152 0.000 1.137 351 D HN -0.122 nan 8.370 nan 0.000 0.475 352 D N -1.090 119.443 120.400 0.222 0.000 2.249 352 D HA -0.070 4.570 4.640 -0.000 0.000 0.205 352 D C -0.701 175.857 176.300 0.429 0.000 0.962 352 D CA 0.569 54.754 54.000 0.309 0.000 0.860 352 D CB 0.268 41.200 40.800 0.220 0.000 0.955 352 D HN 0.301 nan 8.370 nan 0.000 0.505 353 Y N -0.286 120.137 120.300 0.206 0.000 2.362 353 Y HA 0.420 4.970 4.550 -0.000 0.000 0.326 353 Y C -1.706 174.272 175.900 0.129 0.000 1.083 353 Y CA -0.954 57.231 58.100 0.141 0.000 1.073 353 Y CB 1.560 40.072 38.460 0.086 0.000 1.211 353 Y HN -0.336 nan 8.280 nan 0.000 0.433 354 V N 5.877 125.707 119.914 -0.140 0.000 2.443 354 V HA 0.325 4.445 4.120 -0.000 0.000 0.293 354 V C -0.428 175.563 176.094 -0.172 0.000 1.021 354 V CA -1.029 61.247 62.300 -0.039 0.000 0.848 354 V CB 1.439 33.299 31.823 0.060 0.000 0.998 354 V HN 0.677 nan 8.190 nan 0.000 0.424 355 E N 2.948 123.123 120.200 -0.042 0.000 2.373 355 E HA 0.113 4.463 4.350 -0.000 0.000 0.267 355 E C 0.143 176.735 176.600 -0.013 0.000 1.032 355 E CA -0.410 55.979 56.400 -0.018 0.000 0.889 355 E CB 1.117 30.863 29.700 0.077 0.000 0.984 355 E HN 0.549 nan 8.360 nan 0.000 0.425 356 K N 2.209 122.603 120.400 -0.011 0.000 2.543 356 K HA -0.173 4.146 4.320 -0.000 0.000 0.279 356 K C -0.559 176.024 176.600 -0.028 0.000 1.001 356 K CA 0.839 57.118 56.287 -0.014 0.000 1.088 356 K CB 0.255 32.746 32.500 -0.015 0.000 0.863 356 K HN 0.346 nan 8.250 nan 0.000 0.488 357 D N 4.062 124.432 120.400 -0.050 0.000 2.445 357 D HA 0.134 4.774 4.640 -0.000 0.000 0.236 357 D C 0.295 176.534 176.300 -0.102 0.000 1.315 357 D CA -0.451 53.514 54.000 -0.059 0.000 0.924 357 D CB 0.481 41.263 40.800 -0.029 0.000 1.447 357 D HN 0.486 nan 8.370 nan 0.000 0.532 358 R N 0.515 120.919 120.500 -0.161 0.000 2.193 358 R HA -0.066 4.274 4.340 -0.000 0.000 0.229 358 R C 1.731 177.929 176.300 -0.171 0.000 1.110 358 R CA 1.099 57.046 56.100 -0.256 0.000 0.988 358 R CB -0.437 29.674 30.300 -0.314 0.000 0.871 358 R HN 0.465 nan 8.270 nan 0.000 0.458 359 S N -0.039 115.596 115.700 -0.108 0.000 2.555 359 S HA -0.004 4.466 4.470 -0.000 0.000 0.230 359 S C 1.421 175.985 174.600 -0.060 0.000 0.978 359 S CA 0.462 58.618 58.200 -0.074 0.000 0.934 359 S CB 0.064 63.231 63.200 -0.055 0.000 0.766 359 S HN 0.255 nan 8.310 nan 0.000 0.533 360 R N -0.124 120.338 120.500 -0.062 0.000 2.565 360 R HA 0.313 4.653 4.340 -0.000 0.000 0.347 360 R C 1.080 177.363 176.300 -0.029 0.000 1.010 360 R CA 0.280 56.352 56.100 -0.047 0.000 1.126 360 R CB 0.536 30.808 30.300 -0.047 0.000 1.331 360 R HN 0.473 nan 8.270 nan 0.000 0.552 361 G N 1.840 110.612 108.800 -0.047 0.000 2.153 361 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.252 361 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.252 361 G C 0.134 175.107 174.900 0.121 0.000 0.994 361 G CA -0.039 45.069 45.100 0.013 0.000 0.698 361 G HN 0.283 nan 8.290 nan 0.000 0.521 362 I N 0.831 121.422 120.570 0.035 0.000 2.281 362 I HA 0.290 4.460 4.170 -0.000 0.000 0.293 362 I C 1.268 177.396 176.117 0.019 0.000 1.085 362 I CA -0.893 60.459 61.300 0.087 0.000 1.257 362 I CB 0.327 38.358 38.000 0.052 0.000 1.430 362 I HN 0.056 nan 8.210 nan 0.000 0.489 363 Y N 5.089 125.282 120.300 -0.178 0.000 2.516 363 Y HA 0.139 4.689 4.550 -0.000 0.000 0.291 363 Y C 0.278 175.838 175.900 -0.567 0.000 1.131 363 Y CA 0.430 58.291 58.100 -0.399 0.000 1.281 363 Y CB -0.108 37.996 38.460 -0.594 0.000 1.013 363 Y HN 0.302 nan 8.280 nan 0.000 0.554 364 F N -1.552 118.496 119.950 0.164 0.000 2.565 364 F HA 0.358 4.885 4.527 -0.000 0.000 0.313 364 F C 0.246 176.027 175.800 -0.031 0.000 1.091 364 F CA -1.803 56.236 58.000 0.065 0.000 0.915 364 F CB 1.072 40.102 39.000 0.050 0.000 1.208 364 F HN -0.484 nan 8.300 nan 0.000 0.453 365 T N 2.212 116.835 114.554 0.114 0.000 2.853 365 T HA 0.186 4.536 4.350 -0.000 0.000 0.298 365 T C -0.320 174.270 174.700 -0.184 0.000 0.978 365 T CA 0.111 62.159 62.100 -0.086 0.000 1.152 365 T CB 0.378 69.181 68.868 -0.109 0.000 0.914 365 T HN 0.431 nan 8.240 nan 0.000 0.539 366 Q N 2.843 122.447 119.800 -0.327 0.000 2.333 366 Q HA 0.335 4.675 4.340 -0.000 0.000 0.268 366 Q C -1.372 174.285 176.000 -0.571 0.000 1.007 366 Q CA -0.669 54.875 55.803 -0.431 0.000 0.810 366 Q CB 1.235 29.737 28.738 -0.392 0.000 1.264 366 Q HN 0.475 nan 8.270 nan 0.000 0.452 367 D N 4.020 124.134 120.400 -0.477 0.000 2.392 367 D HA 0.253 4.893 4.640 -0.000 0.000 0.228 367 D C -1.099 175.077 176.300 -0.206 0.000 1.074 367 D CA -0.239 53.642 54.000 -0.198 0.000 0.838 367 D CB 0.377 41.199 40.800 0.036 0.000 1.067 367 D HN 0.469 nan 8.370 nan 0.000 0.511 371 M N 3.953 123.630 119.600 0.127 0.000 2.251 371 M HA 0.186 4.666 4.480 -0.000 0.000 0.343 371 M C -2.531 173.751 176.300 -0.030 0.000 1.245 371 M CA -0.776 54.559 55.300 0.057 0.000 1.061 371 M CB 0.324 32.983 32.600 0.098 0.000 1.723 371 M HN -0.124 nan 8.290 nan 0.000 0.449 372 P HA 0.169 nan 4.420 nan 0.000 0.269 372 P C -0.487 176.718 177.300 -0.157 0.000 1.215 372 P CA -0.246 62.812 63.100 -0.070 0.000 0.780 372 P CB 0.308 31.980 31.700 -0.047 0.000 0.898 373 G N 0.591 109.316 108.800 -0.125 0.000 2.476 373 G HA2 0.431 4.391 3.960 -0.000 0.000 0.269 373 G HA3 0.431 4.391 3.960 -0.000 0.000 0.269 373 G C -0.744 174.080 174.900 -0.128 0.000 1.195 373 G CA -0.415 44.586 45.100 -0.164 0.000 0.843 373 G HN 0.354 nan 8.290 nan 0.000 0.545 374 V N 2.756 122.576 119.914 -0.156 0.000 2.427 374 V HA 0.263 4.383 4.120 -0.000 0.000 0.286 374 V C 0.429 176.491 176.094 -0.053 0.000 1.034 374 V CA -0.745 61.490 62.300 -0.109 0.000 0.893 374 V CB 1.472 33.196 31.823 -0.165 0.000 0.982 374 V HN 0.797 nan 8.190 nan 0.000 0.452 375 M N 9.766 129.354 119.600 -0.021 0.000 2.251 375 M HA 0.284 4.764 4.480 -0.000 0.000 0.346 375 M C -2.275 173.960 176.300 -0.109 0.000 1.499 375 M CA -1.456 53.806 55.300 -0.064 0.000 1.128 375 M CB 0.485 33.011 32.600 -0.123 0.000 1.809 375 M HN 0.360 nan 8.290 nan 0.000 0.464 376 P HA 0.113 nan 4.420 nan 0.000 0.271 376 P C -1.252 175.889 177.300 -0.265 0.000 1.216 376 P CA -0.229 62.828 63.100 -0.073 0.000 0.776 376 P CB 0.652 32.406 31.700 0.090 0.000 0.881 377 V N 2.709 122.443 119.914 -0.301 0.000 2.378 377 V HA 0.480 4.600 4.120 -0.000 0.000 0.288 377 V C 0.470 176.268 176.094 -0.494 0.000 1.016 377 V CA -0.866 61.166 62.300 -0.446 0.000 0.840 377 V CB 1.185 32.698 31.823 -0.517 0.000 0.994 377 V HN 0.685 nan 8.190 nan 0.000 0.431 378 A N 3.870 126.333 122.820 -0.595 0.000 2.276 378 A HA 0.798 5.118 4.320 -0.000 0.000 0.300 378 A C 0.126 177.457 177.584 -0.422 0.000 1.235 378 A CA -0.134 51.604 52.037 -0.498 0.000 0.867 378 A CB 0.839 19.439 19.000 -0.666 0.000 1.137 378 A HN 0.881 nan 8.150 nan 0.000 0.527 379 S N 1.676 117.194 115.700 -0.303 0.000 2.533 379 S HA 0.736 5.206 4.470 -0.000 0.000 0.271 379 S C -0.512 173.986 174.600 -0.170 0.000 1.143 379 S CA 0.421 58.466 58.200 -0.257 0.000 0.891 379 S CB 1.298 64.404 63.200 -0.156 0.000 1.105 379 S HN 2.595 nan 8.310 nan 0.000 0.468 380 G N 1.632 110.314 108.800 -0.196 0.000 2.949 380 G HA2 0.447 4.407 3.960 -0.000 0.000 0.658 380 G HA3 0.447 4.407 3.960 -0.000 0.000 0.658 380 G C 0.862 175.598 174.900 -0.274 0.000 1.194 380 G CA 0.334 45.326 45.100 -0.180 0.000 1.204 380 G HN 2.181 nan 8.290 nan 0.000 0.524 381 G N 0.191 108.847 108.800 -0.240 0.000 2.176 381 G HA2 -0.004 3.956 3.960 -0.000 0.000 0.252 381 G HA3 -0.004 3.956 3.960 -0.000 0.000 0.252 381 G C 0.551 175.420 174.900 -0.051 0.000 1.024 381 G CA 0.890 45.832 45.100 -0.264 0.000 0.755 381 G HN 2.277 nan 8.290 nan 0.000 0.507 382 I N -1.879 118.645 120.570 -0.077 0.000 2.525 382 I HA 0.945 5.115 4.170 -0.000 0.000 0.301 382 I C 0.230 176.527 176.117 0.301 0.000 0.992 382 I CA -1.405 59.941 61.300 0.076 0.000 1.162 382 I CB 1.572 39.440 38.000 -0.222 0.000 1.332 382 I HN 0.324 nan 8.210 nan 0.000 0.458 383 H N 1.652 121.043 119.070 0.534 0.000 2.959 383 H HA 0.472 5.028 4.556 -0.000 0.000 0.296 383 H C 0.708 176.124 175.328 0.146 0.000 1.421 383 H CA -0.483 55.656 56.048 0.152 0.000 1.206 383 H CB 0.564 30.138 29.762 -0.313 0.000 1.891 383 H HN 0.350 nan 8.280 nan 0.000 0.573 384 V N -2.962 117.038 119.914 0.144 0.000 2.439 384 V HA -0.261 3.859 4.120 -0.000 0.000 0.253 384 V C 1.222 177.287 176.094 -0.048 0.000 1.074 384 V CA 1.866 64.114 62.300 -0.086 0.000 1.076 384 V CB -1.218 30.469 31.823 -0.228 0.000 0.664 384 V HN 0.779 nan 8.190 nan 0.000 0.461 385 W N -0.555 120.852 121.300 0.178 0.000 2.678 385 W HA 0.108 4.768 4.660 0.000 0.000 0.256 385 W C 2.556 179.052 176.519 -0.039 0.000 1.280 385 W CA 0.798 58.176 57.345 0.056 0.000 1.345 385 W CB -0.350 29.175 29.460 0.109 0.000 1.118 385 W HN 0.330 nan 8.180 nan 0.000 0.629 386 H N -0.816 118.365 119.070 0.185 0.000 2.535 386 H HA -0.007 4.549 4.556 -0.000 0.000 0.273 386 H C 1.908 177.327 175.328 0.151 0.000 0.983 386 H CA 0.999 57.114 56.048 0.112 0.000 1.238 386 H CB -0.431 29.338 29.762 0.013 0.000 1.412 386 H HN 0.169 nan 8.280 nan 0.000 0.562 387 M N 1.397 121.149 119.600 0.253 0.000 2.082 387 M HA -0.087 4.393 4.480 -0.000 0.000 0.258 387 M C -0.953 175.448 176.300 0.167 0.000 1.069 387 M CA 1.659 57.078 55.300 0.199 0.000 1.102 387 M CB -0.887 31.762 32.600 0.081 0.000 1.336 387 M HN 0.056 nan 8.290 nan 0.000 0.404 388 P HA -0.112 nan 4.420 nan 0.000 0.215 388 P C 1.115 178.493 177.300 0.131 0.000 1.153 388 P CA 2.275 65.452 63.100 0.128 0.000 0.853 388 P CB -0.353 31.424 31.700 0.129 0.000 0.788 389 A N -0.815 122.096 122.820 0.152 0.000 1.898 389 A HA -0.143 4.177 4.320 -0.000 0.000 0.216 389 A C 2.241 179.904 177.584 0.132 0.000 1.181 389 A CA 1.330 53.442 52.037 0.125 0.000 0.620 389 A CB -1.623 17.460 19.000 0.138 0.000 0.819 389 A HN 0.095 nan 8.150 nan 0.000 0.442 390 L N -0.528 120.812 121.223 0.196 0.000 2.017 390 L HA -0.175 4.165 4.340 -0.000 0.000 0.208 390 L C 2.528 179.582 176.870 0.307 0.000 1.073 390 L CA 1.266 56.281 54.840 0.291 0.000 0.745 390 L CB -0.650 41.568 42.059 0.266 0.000 0.894 390 L HN 0.243 nan 8.230 nan 0.000 0.432 391 V N -0.380 119.657 119.914 0.205 0.000 2.407 391 V HA -0.279 3.841 4.120 -0.000 0.000 0.248 391 V C 2.488 178.656 176.094 0.124 0.000 1.055 391 V CA 1.791 64.189 62.300 0.164 0.000 1.049 391 V CB -0.492 31.404 31.823 0.121 0.000 0.662 391 V HN 0.479 nan 8.190 nan 0.000 0.455 392 E N -0.083 120.172 120.200 0.091 0.000 2.072 392 E HA -0.176 4.174 4.350 -0.000 0.000 0.191 392 E C 2.223 178.814 176.600 -0.015 0.000 0.985 392 E CA 1.355 57.779 56.400 0.041 0.000 0.801 392 E CB -0.055 29.665 29.700 0.034 0.000 0.750 392 E HN 0.603 nan 8.360 nan 0.000 0.452 393 I N -0.262 120.269 120.570 -0.066 0.000 2.202 393 I HA -0.242 3.928 4.170 -0.000 0.000 0.242 393 I C 1.813 177.713 176.117 -0.362 0.000 1.091 393 I CA 1.150 62.272 61.300 -0.298 0.000 1.368 393 I CB -0.132 37.545 38.000 -0.539 0.000 1.058 393 I HN 0.072 nan 8.210 nan 0.000 0.410 394 F N 0.230 120.184 119.950 0.007 0.000 2.582 394 F HA 0.319 4.846 4.527 -0.000 0.000 0.290 394 F C 1.653 177.462 175.800 0.015 0.000 1.115 394 F CA 0.623 58.627 58.000 0.006 0.000 1.445 394 F CB -0.620 38.381 39.000 0.001 0.000 1.126 394 F HN 0.154 nan 8.300 nan 0.000 0.574 395 G N 0.770 109.677 108.800 0.178 0.000 2.598 395 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.244 395 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.244 395 G C 0.276 175.257 174.900 0.136 0.000 1.302 395 G CA 0.210 45.386 45.100 0.126 0.000 0.903 395 G HN 0.167 nan 8.290 nan 0.000 0.575 396 D N 0.592 121.052 120.400 0.101 0.000 2.224 396 D HA 0.080 4.720 4.640 -0.000 0.000 0.205 396 D C 0.894 177.239 176.300 0.075 0.000 0.965 396 D CA 1.159 55.210 54.000 0.086 0.000 0.852 396 D CB -0.102 40.746 40.800 0.081 0.000 0.947 396 D HN 0.361 nan 8.370 nan 0.000 0.494 397 D N 0.798 121.248 120.400 0.084 0.000 2.619 397 D HA 0.471 5.111 4.640 -0.000 0.000 0.224 397 D C -0.350 175.974 176.300 0.039 0.000 1.133 397 D CA 0.102 54.139 54.000 0.061 0.000 1.017 397 D CB 0.157 40.997 40.800 0.067 0.000 1.077 397 D HN 0.019 nan 8.370 nan 0.000 0.503 398 A N 0.181 122.989 122.820 -0.020 0.000 2.612 398 A HA 0.519 4.838 4.320 -0.000 0.000 0.293 398 A C -1.142 176.340 177.584 -0.171 0.000 1.075 398 A CA -0.770 51.179 52.037 -0.146 0.000 0.680 398 A CB 1.458 20.297 19.000 -0.268 0.000 1.279 398 A HN 0.378 nan 8.150 nan 0.000 0.411 399 C N 1.912 121.054 119.300 -0.265 0.000 2.303 399 C HA 0.776 5.236 4.460 -0.000 0.000 0.326 399 C C -0.690 174.154 174.990 -0.244 0.000 1.285 399 C CA -0.554 58.355 59.018 -0.182 0.000 1.675 399 C CB -1.127 26.502 27.740 -0.186 0.000 2.289 399 C HN 0.641 nan 8.230 nan 0.000 0.512 400 L N 6.548 127.692 121.223 -0.132 0.000 2.296 400 L HA 0.532 4.872 4.340 -0.000 0.000 0.286 400 L C -0.148 176.613 176.870 -0.181 0.000 1.023 400 L CA -0.158 54.560 54.840 -0.203 0.000 0.812 400 L CB 1.142 43.193 42.059 -0.014 0.000 1.223 400 L HN 0.629 nan 8.230 nan 0.000 0.421 401 Q N 3.415 122.948 119.800 -0.445 0.000 2.333 401 Q HA 0.559 4.899 4.340 -0.000 0.000 0.267 401 Q C -1.527 174.137 176.000 -0.561 0.000 1.012 401 Q CA -0.459 55.162 55.803 -0.304 0.000 0.824 401 Q CB 2.619 31.246 28.738 -0.184 0.000 1.290 401 Q HN 0.433 nan 8.270 nan 0.000 0.449 402 F N 0.829 120.747 119.950 -0.054 0.000 2.532 402 F HA 0.350 4.877 4.527 -0.000 0.000 0.365 402 F C 0.846 176.619 175.800 -0.046 0.000 1.112 402 F CA -0.689 57.276 58.000 -0.059 0.000 1.082 402 F CB 1.320 40.284 39.000 -0.060 0.000 1.319 402 F HN 0.751 nan 8.300 nan 0.000 0.457 403 G N 1.537 110.372 108.800 0.058 0.000 2.658 403 G HA2 0.066 4.026 3.960 -0.000 0.000 0.217 403 G HA3 0.066 4.026 3.960 -0.000 0.000 0.217 403 G C 1.774 176.717 174.900 0.072 0.000 1.319 403 G CA 0.600 45.729 45.100 0.048 0.000 0.885 403 G HN 0.738 nan 8.290 nan 0.000 0.553 404 G N 0.740 109.575 108.800 0.059 0.000 2.469 404 G HA2 -0.005 3.955 3.960 -0.000 0.000 0.220 404 G HA3 -0.005 3.955 3.960 -0.000 0.000 0.220 404 G C 1.704 176.651 174.900 0.078 0.000 1.136 404 G CA 1.439 46.594 45.100 0.091 0.000 0.759 404 G HN 0.738 nan 8.290 nan 0.000 0.562 405 G N -0.825 107.955 108.800 -0.033 0.000 2.625 405 G HA2 0.108 4.068 3.960 -0.000 0.000 0.214 405 G HA3 0.108 4.068 3.960 -0.000 0.000 0.214 405 G C 1.472 176.427 174.900 0.092 0.000 1.132 405 G CA 1.649 46.633 45.100 -0.193 0.000 0.782 405 G HN 0.439 nan 8.290 nan 0.000 0.538 406 T N 0.072 114.732 114.554 0.176 0.000 3.182 406 T HA 0.107 4.457 4.350 -0.000 0.000 0.244 406 T C 1.978 176.799 174.700 0.202 0.000 0.981 406 T CA -0.123 62.078 62.100 0.168 0.000 1.182 406 T CB -0.040 68.882 68.868 0.091 0.000 1.043 406 T HN 0.057 nan 8.240 nan 0.000 0.424 407 L N 1.535 122.854 121.223 0.160 0.000 2.552 407 L HA 0.272 4.612 4.340 -0.000 0.000 0.227 407 L C 2.197 179.183 176.870 0.194 0.000 1.146 407 L CA 0.788 55.709 54.840 0.135 0.000 0.858 407 L CB -0.183 41.920 42.059 0.073 0.000 0.969 407 L HN 0.370 nan 8.230 nan 0.000 0.451 408 G N -3.054 105.935 108.800 0.315 0.000 3.126 408 G HA2 -0.063 3.897 3.960 -0.000 0.000 0.224 408 G HA3 -0.063 3.897 3.960 -0.000 0.000 0.224 408 G C 0.475 175.574 174.900 0.332 0.000 1.142 408 G CA -0.310 45.020 45.100 0.382 0.000 0.759 408 G HN 0.258 nan 8.290 nan 0.000 0.550 409 H N 2.074 121.289 119.070 0.243 0.000 2.964 409 H HA 0.070 4.626 4.556 -0.000 0.000 0.328 409 H C -1.060 174.228 175.328 -0.067 0.000 1.030 409 H CA -1.027 55.014 56.048 -0.012 0.000 1.445 409 H CB 1.985 31.763 29.762 0.027 0.000 1.449 409 H HN 0.022 nan 8.280 nan 0.000 0.581 410 P HA -0.153 nan 4.420 nan 0.000 0.221 410 P C 0.705 178.194 177.300 0.315 0.000 1.145 410 P CA 1.152 64.199 63.100 -0.089 0.000 0.795 410 P CB 0.071 31.616 31.700 -0.257 0.000 0.775 411 W N 0.150 121.585 121.300 0.225 0.000 3.220 411 W HA 0.499 5.159 4.660 -0.000 0.000 0.328 411 W C 1.144 177.725 176.519 0.104 0.000 1.205 411 W CA 0.484 57.929 57.345 0.167 0.000 1.773 411 W CB -0.626 28.942 29.460 0.180 0.000 1.086 411 W HN 0.055 nan 8.180 nan 0.000 0.622 412 G N 0.814 109.804 108.800 0.317 0.000 2.498 412 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.651 412 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.651 412 G C 0.607 175.554 174.900 0.079 0.000 1.284 412 G CA -0.198 44.996 45.100 0.156 0.000 0.950 412 G HN -0.051 nan 8.290 nan 0.000 0.511 413 N N -0.028 118.686 118.700 0.024 0.000 2.142 413 N HA 0.034 4.774 4.740 -0.000 0.000 0.186 413 N C 2.682 178.142 175.510 -0.082 0.000 1.023 413 N CA 2.416 55.453 53.050 -0.022 0.000 0.852 413 N CB -0.651 37.813 38.487 -0.038 0.000 0.998 413 N HN 1.045 nan 8.380 nan 0.000 0.424 414 A N 1.499 124.261 122.820 -0.097 0.000 1.873 414 A HA -0.014 4.306 4.320 -0.000 0.000 0.215 414 A C -0.201 177.303 177.584 -0.133 0.000 1.186 414 A CA 1.207 53.170 52.037 -0.123 0.000 0.616 414 A CB -1.481 17.443 19.000 -0.127 0.000 0.823 414 A HN 0.210 nan 8.150 nan 0.000 0.442 415 P HA -0.094 nan 4.420 nan 0.000 0.216 415 P C 1.732 178.659 177.300 -0.621 0.000 1.150 415 P CA 1.711 64.656 63.100 -0.257 0.000 0.837 415 P CB -0.333 31.329 31.700 -0.065 0.000 0.786 416 G N 0.153 108.578 108.800 -0.624 0.000 2.421 416 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.216 416 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.216 416 G C 1.668 176.448 174.900 -0.199 0.000 1.171 416 G CA 1.006 45.869 45.100 -0.395 0.000 0.775 416 G HN 0.319 nan 8.290 nan 0.000 0.543 417 A N 1.260 123.986 122.820 -0.156 0.000 1.877 417 A HA 0.238 4.558 4.320 -0.000 0.000 0.216 417 A C 2.850 180.349 177.584 -0.141 0.000 1.186 417 A CA 2.374 54.337 52.037 -0.123 0.000 0.620 417 A CB -0.916 18.024 19.000 -0.100 0.000 0.822 417 A HN 0.858 nan 8.150 nan 0.000 0.443 418 A N -0.113 122.618 122.820 -0.149 0.000 1.908 418 A HA 0.084 4.404 4.320 -0.000 0.000 0.218 418 A C 2.508 180.004 177.584 -0.147 0.000 1.181 418 A CA 2.338 54.303 52.037 -0.120 0.000 0.627 418 A CB -1.047 17.896 19.000 -0.095 0.000 0.818 418 A HN 1.110 nan 8.150 nan 0.000 0.445 419 A N 0.116 122.813 122.820 -0.206 0.000 1.902 419 A HA -0.224 4.096 4.320 -0.000 0.000 0.217 419 A C 1.911 179.357 177.584 -0.229 0.000 1.181 419 A CA 1.831 53.742 52.037 -0.210 0.000 0.623 419 A CB -0.832 18.069 19.000 -0.165 0.000 0.818 419 A HN 0.718 nan 8.150 nan 0.000 0.443 420 N N -1.219 117.322 118.700 -0.264 0.000 2.142 420 N HA -0.148 4.592 4.740 -0.000 0.000 0.186 420 N C 1.981 177.341 175.510 -0.249 0.000 1.023 420 N CA 1.270 54.082 53.050 -0.396 0.000 0.852 420 N CB -0.127 38.033 38.487 -0.545 0.000 0.998 420 N HN 0.416 nan 8.380 nan 0.000 0.424 421 R N 1.232 121.637 120.500 -0.158 0.000 2.066 421 R HA -0.011 4.329 4.340 -0.000 0.000 0.232 421 R C 1.768 178.043 176.300 -0.042 0.000 1.131 421 R CA 1.057 57.109 56.100 -0.081 0.000 0.955 421 R CB -0.779 29.486 30.300 -0.058 0.000 0.851 421 R HN 0.005 nan 8.270 nan 0.000 0.432 422 V N 0.953 120.839 119.914 -0.046 0.000 2.287 422 V HA -0.253 3.866 4.120 -0.000 0.000 0.248 422 V C 2.375 178.453 176.094 -0.027 0.000 1.053 422 V CA 2.085 64.392 62.300 0.011 0.000 1.027 422 V CB -1.041 30.728 31.823 -0.090 0.000 0.646 422 V HN 0.560 nan 8.190 nan 0.000 0.447 423 A N -0.319 122.427 122.820 -0.125 0.000 1.902 423 A HA -0.201 4.119 4.320 -0.000 0.000 0.217 423 A C 2.166 179.718 177.584 -0.053 0.000 1.181 423 A CA 2.137 54.096 52.037 -0.130 0.000 0.623 423 A CB -0.585 18.288 19.000 -0.212 0.000 0.818 423 A HN 0.466 nan 8.150 nan 0.000 0.443 424 L N 0.173 121.367 121.223 -0.048 0.000 1.994 424 L HA -0.161 4.179 4.340 -0.000 0.000 0.208 424 L C 2.195 179.085 176.870 0.034 0.000 1.071 424 L CA 2.518 57.362 54.840 0.007 0.000 0.745 424 L CB -0.686 41.380 42.059 0.011 0.000 0.892 424 L HN 0.515 nan 8.230 nan 0.000 0.431 425 E N -0.416 119.807 120.200 0.039 0.000 2.150 425 E HA -0.180 4.170 4.350 -0.000 0.000 0.193 425 E C 2.125 178.773 176.600 0.080 0.000 0.985 425 E CA 0.984 57.420 56.400 0.060 0.000 0.814 425 E CB -0.264 29.476 29.700 0.068 0.000 0.752 425 E HN 0.675 nan 8.360 nan 0.000 0.466 426 A N 0.944 123.825 122.820 0.102 0.000 1.898 426 A HA -0.177 4.143 4.320 -0.000 0.000 0.216 426 A C 2.453 180.086 177.584 0.081 0.000 1.181 426 A CA 1.117 53.228 52.037 0.123 0.000 0.620 426 A CB -0.820 18.262 19.000 0.137 0.000 0.819 426 A HN 0.333 nan 8.150 nan 0.000 0.442 427 C N -1.030 118.307 119.300 0.061 0.000 2.429 427 C HA -0.074 4.386 4.460 -0.000 0.000 0.277 427 C C 3.057 178.085 174.990 0.063 0.000 1.262 427 C CA 1.540 60.594 59.018 0.061 0.000 1.733 427 C CB -1.488 26.289 27.740 0.062 0.000 2.010 427 C HN 0.650 nan 8.230 nan 0.000 0.483 428 T N 0.228 114.819 114.554 0.061 0.000 2.684 428 T HA -0.277 4.073 4.350 -0.000 0.000 0.267 428 T C 1.847 176.578 174.700 0.052 0.000 1.036 428 T CA 1.858 63.993 62.100 0.058 0.000 1.148 428 T CB -0.422 68.480 68.868 0.055 0.000 0.863 428 T HN 0.683 nan 8.240 nan 0.000 0.436 429 Q N 0.713 120.544 119.800 0.052 0.000 2.030 429 Q HA -0.140 4.200 4.340 -0.000 0.000 0.204 429 Q C 2.541 178.567 176.000 0.043 0.000 0.986 429 Q CA 1.662 57.491 55.803 0.043 0.000 0.843 429 Q CB -0.357 28.407 28.738 0.043 0.000 0.904 429 Q HN 0.530 nan 8.270 nan 0.000 0.420 430 A N 1.396 124.247 122.820 0.052 0.000 1.908 430 A HA -0.220 4.100 4.320 -0.000 0.000 0.218 430 A C 2.189 179.799 177.584 0.045 0.000 1.181 430 A CA 1.484 53.551 52.037 0.050 0.000 0.627 430 A CB -0.744 18.290 19.000 0.058 0.000 0.818 430 A HN 0.328 nan 8.150 nan 0.000 0.445 431 R N 0.404 120.933 120.500 0.047 0.000 2.080 431 R HA -0.145 4.195 4.340 -0.000 0.000 0.236 431 R C 1.792 178.115 176.300 0.038 0.000 1.137 431 R CA 2.099 58.226 56.100 0.045 0.000 0.943 431 R CB -0.874 29.456 30.300 0.051 0.000 0.846 431 R HN 0.776 nan 8.270 nan 0.000 0.431 432 N N 0.237 118.959 118.700 0.037 0.000 2.223 432 N HA -0.152 4.588 4.740 -0.000 0.000 0.185 432 N C 1.252 176.777 175.510 0.025 0.000 1.016 432 N CA 0.947 54.016 53.050 0.031 0.000 0.863 432 N CB -0.050 38.454 38.487 0.029 0.000 0.983 432 N HN 0.413 nan 8.380 nan 0.000 0.429 433 E N -0.411 119.805 120.200 0.027 0.000 2.482 433 E HA 0.020 4.370 4.350 -0.000 0.000 0.196 433 E C 1.022 177.636 176.600 0.023 0.000 1.047 433 E CA 0.212 56.626 56.400 0.023 0.000 0.869 433 E CB 0.273 29.988 29.700 0.024 0.000 0.836 433 E HN 0.482 nan 8.360 nan 0.000 0.520 434 G N 1.510 110.326 108.800 0.026 0.000 2.179 434 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.220 434 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.220 434 G C 0.204 175.120 174.900 0.027 0.000 0.990 434 G CA -0.432 44.682 45.100 0.024 0.000 0.646 434 G HN 0.066 nan 8.290 nan 0.000 0.517 435 R N 0.749 121.268 120.500 0.031 0.000 2.643 435 R HA 0.304 4.644 4.340 -0.000 0.000 0.270 435 R C -0.659 175.663 176.300 0.036 0.000 1.061 435 R CA -0.212 55.909 56.100 0.035 0.000 1.107 435 R CB 0.539 30.864 30.300 0.041 0.000 0.999 435 R HN 0.213 nan 8.270 nan 0.000 0.460 436 D N 3.070 123.491 120.400 0.036 0.000 2.380 436 D HA 0.058 4.698 4.640 -0.000 0.000 0.230 436 D C 1.041 177.367 176.300 0.044 0.000 1.154 436 D CA -0.135 53.886 54.000 0.035 0.000 0.859 436 D CB 0.745 41.564 40.800 0.030 0.000 1.045 436 D HN 0.411 nan 8.370 nan 0.000 0.495 437 L N 3.170 124.421 121.223 0.048 0.000 2.141 437 L HA -0.103 4.237 4.340 -0.000 0.000 0.209 437 L C 2.378 179.286 176.870 0.063 0.000 1.094 437 L CA 0.993 55.868 54.840 0.060 0.000 0.763 437 L CB -0.245 41.853 42.059 0.064 0.000 0.908 437 L HN 0.454 nan 8.230 nan 0.000 0.437 438 A N -0.035 122.815 122.820 0.051 0.000 1.933 438 A HA -0.201 4.118 4.320 -0.000 0.000 0.218 438 A C 2.328 179.942 177.584 0.050 0.000 1.175 438 A CA 1.661 53.727 52.037 0.048 0.000 0.628 438 A CB -0.270 18.750 19.000 0.033 0.000 0.814 438 A HN 0.250 nan 8.150 nan 0.000 0.444 439 R N -0.770 119.757 120.500 0.046 0.000 2.146 439 R HA 0.177 4.517 4.340 -0.000 0.000 0.206 439 R C 1.436 177.768 176.300 0.052 0.000 1.049 439 R CA 1.249 57.374 56.100 0.043 0.000 1.029 439 R CB -0.052 30.268 30.300 0.034 0.000 0.949 439 R HN 0.633 nan 8.270 nan 0.000 0.471 440 E N -0.895 119.340 120.200 0.057 0.000 2.481 440 E HA 0.156 4.505 4.350 -0.000 0.000 0.198 440 E C 1.414 178.062 176.600 0.081 0.000 1.027 440 E CA 0.296 56.734 56.400 0.063 0.000 0.900 440 E CB 0.674 30.406 29.700 0.055 0.000 0.993 440 E HN 0.376 nan 8.360 nan 0.000 0.482 441 G N 1.503 110.358 108.800 0.092 0.000 2.446 441 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.217 441 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.217 441 G C 1.535 176.527 174.900 0.153 0.000 1.168 441 G CA 0.885 46.053 45.100 0.114 0.000 0.771 441 G HN 0.389 nan 8.290 nan 0.000 0.551 442 G N 0.698 109.612 108.800 0.189 0.000 2.442 442 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.219 442 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.219 442 G C 1.488 176.522 174.900 0.223 0.000 1.141 442 G CA 1.427 46.698 45.100 0.285 0.000 0.763 442 G HN 0.358 nan 8.290 nan 0.000 0.554 443 D N 0.138 120.620 120.400 0.137 0.000 2.117 443 D HA -0.066 4.574 4.640 -0.000 0.000 0.198 443 D C 2.817 179.166 176.300 0.082 0.000 0.982 443 D CA 0.676 54.736 54.000 0.101 0.000 0.828 443 D CB -0.525 40.322 40.800 0.078 0.000 0.967 443 D HN 0.198 nan 8.370 nan 0.000 0.464 444 V N 1.684 121.644 119.914 0.077 0.000 2.287 444 V HA -0.234 3.886 4.120 -0.000 0.000 0.248 444 V C 2.459 178.564 176.094 0.019 0.000 1.053 444 V CA 1.090 63.427 62.300 0.061 0.000 1.027 444 V CB -0.278 31.583 31.823 0.063 0.000 0.646 444 V HN 0.188 nan 8.190 nan 0.000 0.447 445 I N -0.187 120.376 120.570 -0.012 0.000 2.202 445 I HA -0.162 4.008 4.170 -0.000 0.000 0.242 445 I C 2.659 178.662 176.117 -0.190 0.000 1.091 445 I CA 1.593 62.792 61.300 -0.168 0.000 1.368 445 I CB -1.194 36.613 38.000 -0.322 0.000 1.058 445 I HN 0.312 nan 8.210 nan 0.000 0.410 446 R N 0.272 120.747 120.500 -0.043 0.000 2.096 446 R HA -0.111 4.229 4.340 -0.000 0.000 0.235 446 R C 2.482 178.762 176.300 -0.032 0.000 1.127 446 R CA 1.562 57.660 56.100 -0.003 0.000 0.968 446 R CB -0.276 30.091 30.300 0.111 0.000 0.861 446 R HN 0.270 nan 8.270 nan 0.000 0.440 447 S N 0.612 116.316 115.700 0.006 0.000 2.368 447 S HA -0.146 4.324 4.470 -0.000 0.000 0.225 447 S C 2.011 176.611 174.600 -0.001 0.000 1.030 447 S CA 1.316 59.545 58.200 0.050 0.000 0.999 447 S CB -0.099 63.167 63.200 0.111 0.000 0.844 447 S HN 0.488 nan 8.310 nan 0.000 0.459 448 A N 0.236 122.981 122.820 -0.124 0.000 1.968 448 A HA -0.089 4.231 4.320 -0.000 0.000 0.217 448 A C 2.304 179.340 177.584 -0.913 0.000 1.169 448 A CA 1.115 52.849 52.037 -0.506 0.000 0.638 448 A CB -1.132 17.673 19.000 -0.325 0.000 0.812 448 A HN 0.609 nan 8.150 nan 0.000 0.446 449 C N -0.515 118.486 119.300 -0.499 0.000 2.410 449 C HA -0.100 4.360 4.460 -0.000 0.000 0.281 449 C C 2.625 177.430 174.990 -0.309 0.000 1.318 449 C CA 1.421 60.201 59.018 -0.397 0.000 1.776 449 C CB -1.162 26.430 27.740 -0.247 0.000 1.942 449 C HN 0.615 nan 8.230 nan 0.000 0.508 450 K N 0.217 120.475 120.400 -0.237 0.000 2.097 450 K HA -0.104 4.216 4.320 -0.000 0.000 0.205 450 K C 1.838 178.444 176.600 0.010 0.000 1.050 450 K CA 1.512 57.762 56.287 -0.061 0.000 0.938 450 K CB -0.110 32.423 32.500 0.055 0.000 0.718 450 K HN 0.857 nan 8.250 nan 0.000 0.442 451 W N -1.444 119.855 121.300 -0.003 0.000 3.103 451 W HA 0.365 5.025 4.660 0.000 0.000 0.325 451 W C -0.050 176.471 176.519 0.003 0.000 1.170 451 W CA -0.392 56.955 57.345 0.002 0.000 1.712 451 W CB 0.034 29.493 29.460 -0.001 0.000 1.068 451 W HN -0.179 nan 8.180 nan 0.000 0.592 452 S N 2.682 118.074 115.700 -0.514 0.000 2.622 452 S HA 0.383 4.853 4.470 -0.000 0.000 0.283 452 S C -1.648 172.809 174.600 -0.238 0.000 1.197 452 S CA -1.270 56.681 58.200 -0.415 0.000 1.146 452 S CB 1.321 64.019 63.200 -0.837 0.000 1.007 452 S HN -0.298 nan 8.310 nan 0.000 0.478 453 P HA -0.039 nan 4.420 nan 0.000 0.218 453 P C 0.896 178.125 177.300 -0.119 0.000 1.149 453 P CA 0.878 64.008 63.100 0.049 0.000 0.817 453 P CB 0.260 32.132 31.700 0.287 0.000 0.785 454 E N -0.448 119.694 120.200 -0.096 0.000 2.051 454 E HA -0.167 4.183 4.350 -0.000 0.000 0.192 454 E C 1.847 178.295 176.600 -0.253 0.000 0.991 454 E CA 0.887 57.137 56.400 -0.250 0.000 0.799 454 E CB -1.336 28.280 29.700 -0.139 0.000 0.748 454 E HN 0.114 nan 8.360 nan 0.000 0.449 455 L N 0.419 121.477 121.223 -0.275 0.000 2.083 455 L HA -0.039 4.301 4.340 -0.000 0.000 0.209 455 L C 2.025 178.699 176.870 -0.328 0.000 1.083 455 L CA 1.994 56.649 54.840 -0.309 0.000 0.752 455 L CB -0.860 40.957 42.059 -0.404 0.000 0.899 455 L HN 0.118 nan 8.230 nan 0.000 0.433 456 A N -0.453 122.178 122.820 -0.314 0.000 1.902 456 A HA -0.106 4.213 4.320 -0.000 0.000 0.217 456 A C 2.457 179.865 177.584 -0.292 0.000 1.181 456 A CA 1.817 53.698 52.037 -0.259 0.000 0.623 456 A CB -1.150 17.742 19.000 -0.180 0.000 0.818 456 A HN 0.565 nan 8.150 nan 0.000 0.443 457 A N -0.189 122.365 122.820 -0.443 0.000 1.902 457 A HA 0.174 4.494 4.320 -0.000 0.000 0.217 457 A C 2.503 179.676 177.584 -0.686 0.000 1.181 457 A CA 2.064 53.711 52.037 -0.650 0.000 0.623 457 A CB -0.989 17.236 19.000 -1.291 0.000 0.818 457 A HN 1.030 nan 8.150 nan 0.000 0.443 458 A N -0.841 121.649 122.820 -0.550 0.000 1.877 458 A HA -0.178 4.142 4.320 -0.000 0.000 0.216 458 A C 2.317 179.776 177.584 -0.208 0.000 1.186 458 A CA 1.680 53.488 52.037 -0.382 0.000 0.620 458 A CB -1.358 17.668 19.000 0.043 0.000 0.822 458 A HN 0.601 nan 8.150 nan 0.000 0.443 459 C N -0.800 118.375 119.300 -0.208 0.000 2.413 459 C HA -0.110 4.350 4.460 -0.000 0.000 0.276 459 C C 2.681 177.819 174.990 0.246 0.000 1.248 459 C CA 1.202 60.196 59.018 -0.040 0.000 1.742 459 C CB -1.168 26.413 27.740 -0.265 0.000 2.017 459 C HN 0.641 nan 8.230 nan 0.000 0.481 460 E N 0.462 120.643 120.200 -0.031 0.000 2.077 460 E HA -0.157 4.193 4.350 -0.000 0.000 0.193 460 E C 2.207 178.703 176.600 -0.175 0.000 0.989 460 E CA 1.303 57.658 56.400 -0.075 0.000 0.800 460 E CB -0.067 29.547 29.700 -0.145 0.000 0.746 460 E HN 0.497 nan 8.360 nan 0.000 0.452 461 V N -0.092 119.588 119.914 -0.390 0.000 2.427 461 V HA -0.184 3.936 4.120 -0.000 0.000 0.248 461 V C 1.517 177.295 176.094 -0.527 0.000 1.051 461 V CA 1.198 63.129 62.300 -0.615 0.000 1.048 461 V CB -0.289 30.866 31.823 -1.114 0.000 0.666 461 V HN 0.395 nan 8.190 nan 0.000 0.456 462 W N -0.232 120.990 121.300 -0.130 0.000 3.123 462 W HA 0.331 4.991 4.660 -0.000 0.000 0.383 462 W C 1.842 178.219 176.519 -0.236 0.000 1.102 462 W CA -0.874 56.303 57.345 -0.281 0.000 1.865 462 W CB -0.327 28.766 29.460 -0.612 0.000 1.111 462 W HN 0.275 nan 8.180 nan 0.000 0.621 463 K N 1.321 121.758 120.400 0.062 0.000 2.059 463 K HA -0.219 4.101 4.320 -0.000 0.000 0.212 463 K C 1.280 177.692 176.600 -0.313 0.000 1.050 463 K CA 1.792 57.949 56.287 -0.217 0.000 0.927 463 K CB 0.245 32.659 32.500 -0.144 0.000 0.714 463 K HN -0.082 nan 8.250 nan 0.000 0.447 464 E N 0.312 120.410 120.200 -0.169 0.000 2.489 464 E HA 0.012 4.362 4.350 -0.000 0.000 0.193 464 E C 0.033 176.568 176.600 -0.108 0.000 1.057 464 E CA 0.140 56.451 56.400 -0.148 0.000 0.866 464 E CB 0.328 29.960 29.700 -0.113 0.000 0.916 464 E HN 0.253 nan 8.360 nan 0.000 0.500 465 I N 2.123 122.654 120.570 -0.065 0.000 2.337 465 I HA 0.184 4.354 4.170 -0.000 0.000 0.291 465 I C 0.379 176.517 176.117 0.035 0.000 1.046 465 I CA -0.027 61.251 61.300 -0.037 0.000 1.324 465 I CB 0.133 38.158 38.000 0.042 0.000 1.409 465 I HN -0.263 nan 8.210 nan 0.000 0.494 466 K N 5.687 125.973 120.400 -0.189 0.000 2.482 466 K HA 0.607 4.927 4.320 -0.000 0.000 0.257 466 K C -1.480 174.883 176.600 -0.394 0.000 0.969 466 K CA -0.607 55.623 56.287 -0.095 0.000 0.842 466 K CB 2.615 35.094 32.500 -0.034 0.000 1.359 466 K HN 0.150 nan 8.250 nan 0.000 0.441 467 F N 1.569 121.620 119.950 0.168 0.000 2.434 467 F HA 0.301 4.828 4.527 0.000 0.000 0.367 467 F C -0.438 175.440 175.800 0.130 0.000 1.093 467 F CA -0.535 57.585 58.000 0.200 0.000 1.085 467 F CB 1.516 40.661 39.000 0.242 0.000 1.322 467 F HN 0.292 nan 8.300 nan 0.000 0.452 468 E N 3.944 124.144 120.200 -0.000 0.000 2.279 468 E HA 0.500 4.850 4.350 -0.000 0.000 0.252 468 E C -1.314 175.074 176.600 -0.354 0.000 0.894 468 E CA -0.428 55.926 56.400 -0.077 0.000 0.785 468 E CB 1.740 31.379 29.700 -0.101 0.000 1.237 468 E HN 0.326 nan 8.360 nan 0.000 0.418 469 F N 0.353 120.350 119.950 0.077 0.000 2.629 469 F HA 0.219 4.746 4.527 -0.000 0.000 0.316 469 F C 0.217 176.046 175.800 0.049 0.000 1.081 469 F CA -1.195 56.842 58.000 0.062 0.000 0.954 469 F CB 1.398 40.441 39.000 0.071 0.000 1.337 469 F HN 0.233 nan 8.300 nan 0.000 0.474 470 D N 0.902 121.444 120.400 0.237 0.000 2.450 470 D HA 0.101 4.741 4.640 -0.000 0.000 0.247 470 D C -0.413 175.970 176.300 0.140 0.000 1.162 470 D CA 0.465 54.552 54.000 0.146 0.000 0.879 470 D CB 0.735 41.603 40.800 0.113 0.000 1.163 470 D HN 0.401 nan 8.370 nan 0.000 0.472 471 T N 5.731 120.350 114.554 0.108 0.000 2.814 471 T HA 0.080 4.430 4.350 -0.000 0.000 0.297 471 T C 1.454 176.200 174.700 0.078 0.000 0.956 471 T CA -0.718 61.438 62.100 0.093 0.000 1.123 471 T CB 0.705 69.625 68.868 0.086 0.000 0.902 471 T HN 0.294 nan 8.240 nan 0.000 0.528 472 I N 1.764 122.375 120.570 0.069 0.000 2.296 472 I HA 0.018 4.188 4.170 -0.000 0.000 0.242 472 I C 1.462 177.625 176.117 0.076 0.000 1.087 472 I CA 0.888 62.224 61.300 0.060 0.000 1.393 472 I CB -0.763 37.260 38.000 0.039 0.000 1.093 472 I HN 0.568 nan 8.210 nan 0.000 0.421 473 D N 2.845 123.298 120.400 0.088 0.000 2.600 473 D HA 0.050 4.690 4.640 -0.000 0.000 0.226 473 D C 0.052 176.441 176.300 0.148 0.000 1.119 473 D CA 0.153 54.230 54.000 0.128 0.000 1.051 473 D CB -0.288 40.592 40.800 0.133 0.000 1.106 473 D HN 0.104 nan 8.370 nan 0.000 0.491 474 K N 1.463 121.934 120.400 0.118 0.000 2.154 474 K HA 0.308 4.628 4.320 -0.000 0.000 0.264 474 K C 0.665 177.333 176.600 0.114 0.000 1.008 474 K CA -0.786 55.563 56.287 0.103 0.000 0.937 474 K CB 1.446 33.990 32.500 0.073 0.000 1.002 474 K HN 0.254 nan 8.250 nan 0.000 0.469 475 L N 0.000 121.278 121.223 0.092 0.000 2.949 475 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 475 L CA 0.000 54.887 54.840 0.079 0.000 0.813 475 L CB 0.000 42.081 42.059 0.037 0.000 0.961 475 L HN 0.000 nan 8.230 nan 0.000 0.502