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 3gwd_1_A DATA FIRST_RESID 5 DATA SEQUENCE TTHTVDAVVI GAGFGGIYAV HKLHHELGLT TVGFDKADGP GGTWYWNRYP DATA SEQUENCE GALSDTESHL YRFSFDRDLL QESTWKTTYI TQPEILEYLE DVVDRFDLRR DATA SEQUENCE HFKFGTEVTS ALYLDDENLW EVTTDHGEVY RAKYVVNAVG LLSAINFPNL DATA SEQUENCE PGLDTFEGET IHTAAWPEGK SLAGRRVGVI GTGSTGQQVI TSLAPEVEHL DATA SEQUENCE TVFVRTPQYS VPVGNRPVNP EQIAEIKADY DRIWERAKNS AVAFGFEEST DATA SEQUENCE LPAMSVSEEE RNRIFQEAWD HGGGFRFMFG TFGDIATDEA ANEAAASFIR DATA SEQUENCE AKVAEIIEDP ETARKLMPKG LFAKRPLCDS GYYEVYNRPN VEAVAIKENP DATA SEQUENCE IREVTAKGVV TEDGVLHELD VLVFATGFDA VDGNYRRIEI RGRDGLHIND DATA SEQUENCE HWDGQPTSYL GVSTANFPNW FMVLGPNGPF TNLPPSIETQ VEWISDTIGY DATA SEQUENCE AERNGVRAIE PTPEAEAEWT ETCTEIANAT LFTKGDSWIF GANIPGKKPS DATA SEQUENCE VLFYLGGLRN YRAVMAEVAA DGYRGFEVKS A 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 5 T HA 0.000 nan 4.350 nan 0.000 0.228 5 T C 0.000 174.368 174.700 -0.553 0.000 1.109 5 T CA 0.000 61.933 62.100 -0.278 0.000 1.349 5 T CB 0.000 68.771 68.868 -0.162 0.000 0.612 6 T N 1.935 116.236 114.554 -0.422 0.000 2.897 6 T HA 0.436 4.577 4.350 -0.348 0.000 0.294 6 T C -0.433 173.944 174.700 -0.538 0.000 1.004 6 T CA -0.381 61.435 62.100 -0.473 0.000 1.106 6 T CB 0.320 69.060 68.868 -0.213 0.000 0.949 6 T HN 0.339 nan 8.240 nan 0.000 0.520 7 H N 2.590 121.508 119.070 -0.253 0.000 2.488 7 H HA 0.327 4.675 4.556 -0.347 0.000 0.322 7 H C 0.044 175.350 175.328 -0.037 0.000 1.078 7 H CA -0.602 55.324 56.048 -0.203 0.000 1.260 7 H CB 1.185 30.692 29.762 -0.424 0.000 1.425 7 H HN 0.637 nan 8.280 nan 0.000 0.471 8 T N 4.027 118.649 114.554 0.113 0.000 2.743 8 T HA 0.387 4.528 4.350 -0.348 0.000 0.293 8 T C 0.331 175.125 174.700 0.156 0.000 0.945 8 T CA -0.474 61.693 62.100 0.112 0.000 1.030 8 T CB 0.551 69.451 68.868 0.054 0.000 0.912 8 T HN 0.241 nan 8.240 nan 0.000 0.483 9 V N 2.723 122.746 119.914 0.181 0.000 3.078 9 V HA 0.315 4.226 4.120 -0.348 0.000 0.311 9 V C 0.403 176.577 176.094 0.133 0.000 1.138 9 V CA -0.814 61.584 62.300 0.164 0.000 1.007 9 V CB 2.521 34.472 31.823 0.213 0.000 1.045 9 V HN 0.751 nan 8.190 nan 0.000 0.432 10 D N 1.320 121.790 120.400 0.116 0.000 2.137 10 D HA 0.183 4.614 4.640 -0.348 0.000 0.202 10 D C 0.487 176.917 176.300 0.218 0.000 0.970 10 D CA 1.520 55.610 54.000 0.149 0.000 0.837 10 D CB 0.472 41.355 40.800 0.138 0.000 0.981 10 D HN 0.662 nan 8.370 nan 0.000 0.475 11 A N 0.307 123.218 122.820 0.153 0.000 2.455 11 A HA 0.535 4.647 4.320 -0.348 0.000 0.300 11 A C -0.996 176.620 177.584 0.053 0.000 1.040 11 A CA -0.533 51.595 52.037 0.151 0.000 0.697 11 A CB 2.069 21.131 19.000 0.103 0.000 1.265 11 A HN -0.085 nan 8.150 nan 0.000 0.407 12 V N 2.473 122.432 119.914 0.075 0.000 2.398 12 V HA 0.482 4.393 4.120 -0.348 0.000 0.286 12 V C -0.365 175.727 176.094 -0.003 0.000 1.026 12 V CA -0.386 61.937 62.300 0.038 0.000 0.868 12 V CB 1.607 33.508 31.823 0.130 0.000 0.982 12 V HN 0.680 nan 8.190 nan 0.000 0.443 13 V N 6.719 126.593 119.914 -0.067 0.000 2.417 13 V HA 0.505 4.417 4.120 -0.348 0.000 0.291 13 V C -0.143 175.986 176.094 0.058 0.000 1.024 13 V CA -0.463 61.810 62.300 -0.045 0.000 0.861 13 V CB 1.752 33.505 31.823 -0.117 0.000 0.985 13 V HN 0.647 nan 8.190 nan 0.000 0.436 14 I N 4.348 124.959 120.570 0.068 0.000 2.330 14 I HA 0.775 4.737 4.170 -0.348 0.000 0.289 14 I C 0.631 176.817 176.117 0.116 0.000 1.001 14 I CA -0.170 61.199 61.300 0.115 0.000 1.193 14 I CB 1.353 39.368 38.000 0.025 0.000 1.345 14 I HN 0.869 nan 8.210 nan 0.000 0.461 15 G N 4.300 113.214 108.800 0.189 0.000 2.742 15 G HA2 0.178 3.930 3.960 -0.348 0.000 0.686 15 G HA3 0.178 3.930 3.960 -0.348 0.000 0.686 15 G C -0.478 174.584 174.900 0.271 0.000 1.220 15 G CA -0.280 44.938 45.100 0.198 0.000 0.783 15 G HN 0.923 nan 8.290 nan 0.000 0.646 16 A N 0.988 123.921 122.820 0.189 0.000 2.616 16 A HA 0.795 4.907 4.320 -0.348 0.000 0.294 16 A C 1.328 178.952 177.584 0.067 0.000 1.091 16 A CA 1.194 53.262 52.037 0.051 0.000 0.971 16 A CB -0.092 18.811 19.000 -0.163 0.000 1.222 16 A HN 2.177 nan 8.150 nan 0.000 0.521 17 G N -1.174 107.727 108.800 0.168 0.000 2.494 17 G HA2 0.381 4.133 3.960 -0.348 0.000 0.270 17 G HA3 0.381 4.133 3.960 -0.348 0.000 0.270 17 G C 0.663 175.721 174.900 0.264 0.000 1.423 17 G CA -0.386 44.841 45.100 0.210 0.000 1.055 17 G HN 0.123 nan 8.290 nan 0.000 0.536 18 F N 0.941 121.024 119.950 0.222 0.000 2.063 18 F HA -0.144 4.177 4.527 -0.344 0.000 0.298 18 F C 2.922 178.962 175.800 0.399 0.000 1.109 18 F CA 2.192 60.341 58.000 0.248 0.000 1.212 18 F CB -0.497 38.511 39.000 0.013 0.000 0.973 18 F HN 0.433 nan 8.300 nan 0.000 0.480 19 G N -0.688 108.403 108.800 0.485 0.000 2.480 19 G HA2 -0.206 3.546 3.960 -0.348 0.000 0.216 19 G HA3 -0.206 3.546 3.960 -0.348 0.000 0.216 19 G C 2.004 177.106 174.900 0.336 0.000 1.200 19 G CA 0.892 46.218 45.100 0.377 0.000 0.782 19 G HN 0.543 nan 8.290 nan 0.000 0.554 20 G N 0.770 109.754 108.800 0.305 0.000 2.418 20 G HA2 -0.133 3.618 3.960 -0.348 0.000 0.217 20 G HA3 -0.133 3.618 3.960 -0.348 0.000 0.217 20 G C 1.811 176.956 174.900 0.408 0.000 1.158 20 G CA 0.782 46.067 45.100 0.308 0.000 0.771 20 G HN 0.439 nan 8.290 nan 0.000 0.545 21 I N -0.748 120.091 120.570 0.449 0.000 2.151 21 I HA -0.234 3.728 4.170 -0.348 0.000 0.243 21 I C 2.461 178.804 176.117 0.376 0.000 1.080 21 I CA 1.300 62.876 61.300 0.460 0.000 1.339 21 I CB -0.229 37.983 38.000 0.354 0.000 1.039 21 I HN 0.171 nan 8.210 nan 0.000 0.409 22 Y N 1.384 121.789 120.300 0.175 0.000 2.220 22 Y HA -0.113 4.228 4.550 -0.349 0.000 0.291 22 Y C 2.476 178.338 175.900 -0.063 0.000 1.129 22 Y CA 0.780 58.854 58.100 -0.042 0.000 1.161 22 Y CB -0.737 37.713 38.460 -0.016 0.000 0.997 22 Y HN 0.116 nan 8.280 nan 0.000 0.522 23 A N -0.654 122.156 122.820 -0.016 0.000 1.908 23 A HA -0.182 3.929 4.320 -0.348 0.000 0.218 23 A C 2.412 179.886 177.584 -0.182 0.000 1.181 23 A CA 2.255 54.200 52.037 -0.154 0.000 0.627 23 A CB -1.287 17.678 19.000 -0.058 0.000 0.818 23 A HN 0.281 nan 8.150 nan 0.000 0.445 24 V N -0.660 119.192 119.914 -0.103 0.000 2.358 24 V HA -0.249 3.663 4.120 -0.348 0.000 0.246 24 V C 2.460 178.442 176.094 -0.188 0.000 1.047 24 V CA 2.425 64.597 62.300 -0.214 0.000 1.035 24 V CB -0.999 30.622 31.823 -0.337 0.000 0.658 24 V HN 0.840 nan 8.190 nan 0.000 0.452 25 H N 0.912 119.881 119.070 -0.168 0.000 2.319 25 H HA -0.129 4.219 4.556 -0.346 0.000 0.299 25 H C 2.259 177.428 175.328 -0.265 0.000 1.092 25 H CA 1.845 57.807 56.048 -0.143 0.000 1.302 25 H CB -0.014 29.642 29.762 -0.177 0.000 1.373 25 H HN 0.158 nan 8.280 nan 0.000 0.497 26 K N 0.314 120.397 120.400 -0.529 0.000 2.002 26 K HA -0.075 4.036 4.320 -0.348 0.000 0.209 26 K C 2.536 178.863 176.600 -0.456 0.000 1.048 26 K CA 1.244 57.165 56.287 -0.609 0.000 0.930 26 K CB -0.590 31.504 32.500 -0.676 0.000 0.714 26 K HN 0.373 nan 8.250 nan 0.000 0.438 27 L N -0.272 120.726 121.223 -0.375 0.000 2.093 27 L HA -0.168 3.964 4.340 -0.348 0.000 0.208 27 L C 2.610 179.304 176.870 -0.293 0.000 1.085 27 L CA 1.374 56.027 54.840 -0.312 0.000 0.755 27 L CB -0.568 41.339 42.059 -0.254 0.000 0.904 27 L HN 0.273 nan 8.230 nan 0.000 0.435 28 H N -0.656 118.140 119.070 -0.458 0.000 2.329 28 H HA -0.079 4.269 4.556 -0.346 0.000 0.306 28 H C 2.281 177.317 175.328 -0.486 0.000 1.062 28 H CA 1.880 57.605 56.048 -0.539 0.000 1.364 28 H CB 0.079 29.343 29.762 -0.830 0.000 1.409 28 H HN 0.290 nan 8.280 nan 0.000 0.519 29 H N -0.924 117.935 119.070 -0.351 0.000 2.343 29 H HA 0.019 4.366 4.556 -0.349 0.000 0.303 29 H C 2.199 177.307 175.328 -0.367 0.000 1.068 29 H CA 1.224 57.049 56.048 -0.372 0.000 1.359 29 H CB 0.309 29.869 29.762 -0.337 0.000 1.402 29 H HN 0.442 nan 8.280 nan 0.000 0.515 30 E N 0.743 120.757 120.200 -0.309 0.000 2.060 30 E HA -0.052 4.089 4.350 -0.348 0.000 0.189 30 E C 1.690 178.141 176.600 -0.247 0.000 0.974 30 E CA 0.443 56.676 56.400 -0.278 0.000 0.808 30 E CB 0.191 29.689 29.700 -0.337 0.000 0.768 30 E HN 0.367 nan 8.360 nan 0.000 0.453 31 L N -0.511 120.546 121.223 -0.278 0.000 2.418 31 L HA 0.198 4.329 4.340 -0.348 0.000 0.218 31 L C 1.379 178.121 176.870 -0.214 0.000 1.125 31 L CA 0.496 55.192 54.840 -0.239 0.000 0.835 31 L CB 0.004 41.907 42.059 -0.260 0.000 0.953 31 L HN 0.442 nan 8.230 nan 0.000 0.454 32 G N 1.214 109.855 108.800 -0.265 0.000 2.176 32 G HA2 -0.269 3.483 3.960 -0.348 0.000 0.252 32 G HA3 -0.269 3.483 3.960 -0.348 0.000 0.252 32 G C 0.001 174.773 174.900 -0.214 0.000 1.024 32 G CA -0.056 44.885 45.100 -0.265 0.000 0.755 32 G HN 0.230 nan 8.290 nan 0.000 0.507 33 L N 1.013 122.116 121.223 -0.201 0.000 2.322 33 L HA 0.573 4.704 4.340 -0.348 0.000 0.279 33 L C 1.342 178.200 176.870 -0.020 0.000 1.036 33 L CA -0.477 54.310 54.840 -0.089 0.000 0.807 33 L CB 1.530 43.547 42.059 -0.070 0.000 1.226 33 L HN 0.340 nan 8.230 nan 0.000 0.433 34 T N -1.032 113.539 114.554 0.029 0.000 2.853 34 T HA 0.278 4.420 4.350 -0.348 0.000 0.298 34 T C -0.011 174.690 174.700 0.002 0.000 0.978 34 T CA -0.433 61.702 62.100 0.058 0.000 1.152 34 T CB 0.247 69.154 68.868 0.066 0.000 0.914 34 T HN 0.602 nan 8.240 nan 0.000 0.539 35 T N 3.052 117.552 114.554 -0.089 0.000 2.921 35 T HA 0.553 4.695 4.350 -0.348 0.000 0.297 35 T C -0.556 173.965 174.700 -0.299 0.000 1.013 35 T CA -0.798 61.185 62.100 -0.195 0.000 0.990 35 T CB 1.549 70.251 68.868 -0.277 0.000 1.023 35 T HN 0.727 nan 8.240 nan 0.000 0.447 36 V N 1.400 121.108 119.914 -0.344 0.000 2.540 36 V HA 0.912 4.824 4.120 -0.348 0.000 0.302 36 V C 0.533 176.175 176.094 -0.754 0.000 1.035 36 V CA -0.853 61.097 62.300 -0.583 0.000 0.873 36 V CB 1.722 33.134 31.823 -0.685 0.000 0.992 36 V HN 1.045 nan 8.190 nan 0.000 0.428 37 G N 2.298 110.501 108.800 -0.995 0.000 2.417 37 G HA2 0.791 4.543 3.960 -0.348 0.000 0.334 37 G HA3 0.791 4.543 3.960 -0.348 0.000 0.334 37 G C -1.561 172.884 174.900 -0.758 0.000 1.150 37 G CA -0.450 44.153 45.100 -0.829 0.000 0.923 37 G HN 0.395 nan 8.290 nan 0.000 0.485 38 F N -0.135 119.809 119.950 -0.009 0.000 2.576 38 F HA 0.576 4.893 4.527 -0.351 0.000 0.313 38 F C -0.349 175.501 175.800 0.083 0.000 1.078 38 F CA -0.774 57.223 58.000 -0.005 0.000 0.921 38 F CB 3.099 42.070 39.000 -0.049 0.000 1.232 38 F HN 0.307 nan 8.300 nan 0.000 0.459 39 D N 1.014 121.578 120.400 0.274 0.000 2.803 39 D HA 0.166 4.598 4.640 -0.348 0.000 0.218 39 D C 0.291 176.752 176.300 0.268 0.000 1.245 39 D CA -0.453 53.704 54.000 0.262 0.000 0.821 39 D CB 2.459 43.406 40.800 0.245 0.000 1.626 39 D HN 0.423 nan 8.370 nan 0.000 0.487 40 K N 2.221 122.784 120.400 0.272 0.000 2.057 40 K HA 0.097 4.208 4.320 -0.348 0.000 0.207 40 K C 0.568 177.341 176.600 0.288 0.000 1.049 40 K CA 1.174 57.637 56.287 0.293 0.000 0.931 40 K CB -0.428 32.260 32.500 0.313 0.000 0.714 40 K HN 0.440 nan 8.250 nan 0.000 0.440 41 A N 1.565 124.496 122.820 0.184 0.000 2.587 41 A HA -0.079 4.033 4.320 -0.348 0.000 0.233 41 A C 0.385 177.717 177.584 -0.419 0.000 1.049 41 A CA 0.567 52.210 52.037 -0.656 0.000 0.754 41 A CB -0.040 18.070 19.000 -1.485 0.000 0.977 41 A HN 0.467 nan 8.150 nan 0.000 0.509 42 D N 0.940 121.102 120.400 -0.396 0.000 2.350 42 D HA 0.166 4.597 4.640 -0.348 0.000 0.216 42 D C 0.943 176.955 176.300 -0.480 0.000 0.968 42 D CA 1.751 55.665 54.000 -0.143 0.000 0.894 42 D CB 0.123 40.954 40.800 0.052 0.000 0.909 42 D HN 0.766 nan 8.370 nan 0.000 0.520 43 G N -0.464 107.769 108.800 -0.944 0.000 2.721 43 G HA2 0.466 4.218 3.960 -0.348 0.000 0.296 43 G HA3 0.466 4.218 3.960 -0.348 0.000 0.296 43 G C -2.971 171.187 174.900 -1.237 0.000 1.383 43 G CA -0.971 43.297 45.100 -1.386 0.000 0.788 43 G HN -0.229 nan 8.290 nan 0.000 0.500 44 P HA 0.497 nan 4.420 nan 0.000 0.277 44 P C 0.682 177.867 177.300 -0.191 0.000 1.271 44 P CA 1.058 63.929 63.100 -0.382 0.000 0.795 44 P CB 1.738 33.279 31.700 -0.264 0.000 1.101 45 G N -2.243 106.519 108.800 -0.063 0.000 2.545 45 G HA2 0.052 3.804 3.960 -0.348 0.000 0.195 45 G HA3 0.052 3.804 3.960 -0.348 0.000 0.195 45 G C 0.726 175.734 174.900 0.180 0.000 1.009 45 G CA 0.446 45.601 45.100 0.091 0.000 0.703 45 G HN 0.879 nan 8.290 nan 0.000 0.479 46 G N 0.092 108.962 108.800 0.116 0.000 2.629 46 G HA2 -0.308 3.443 3.960 -0.348 0.000 0.313 46 G HA3 -0.308 3.443 3.960 -0.348 0.000 0.313 46 G C 1.363 176.419 174.900 0.259 0.000 1.217 46 G CA 2.432 47.663 45.100 0.218 0.000 0.994 46 G HN 1.442 nan 8.290 nan 0.000 0.549 47 T N 0.475 115.068 114.554 0.065 0.000 2.714 47 T HA -0.238 3.903 4.350 -0.348 0.000 0.268 47 T C 1.870 176.335 174.700 -0.392 0.000 1.036 47 T CA 2.658 64.586 62.100 -0.286 0.000 1.148 47 T CB -0.300 68.128 68.868 -0.733 0.000 0.856 47 T HN 0.513 nan 8.240 nan 0.000 0.462 48 W N -0.653 120.801 121.300 0.257 0.000 3.197 48 W HA 0.314 4.749 4.660 -0.375 0.000 0.274 48 W C 1.868 178.458 176.519 0.118 0.000 1.297 48 W CA -0.984 56.465 57.345 0.173 0.000 1.662 48 W CB -0.257 29.302 29.460 0.164 0.000 1.106 48 W HN 0.296 nan 8.180 nan 0.000 0.663 49 Y N -1.230 119.108 120.300 0.064 0.000 2.262 49 Y HA -0.032 4.505 4.550 -0.021 0.000 0.295 49 Y C 1.778 177.618 175.900 -0.100 0.000 1.121 49 Y CA 1.429 59.450 58.100 -0.132 0.000 1.144 49 Y CB -0.491 37.736 38.460 -0.388 0.000 1.043 49 Y HN -0.120 nan 8.280 nan 0.000 0.528 50 W N 0.823 122.302 121.300 0.298 0.000 2.481 50 W HA 0.009 4.512 4.660 -0.262 0.000 0.293 50 W C 0.532 177.164 176.519 0.188 0.000 1.201 50 W CA 0.544 58.040 57.345 0.252 0.000 1.328 50 W CB -0.358 29.273 29.460 0.284 0.000 1.112 50 W HN -0.052 nan 8.180 nan 0.000 0.546 51 N N 1.186 120.096 118.700 0.351 0.000 3.254 51 N HA 0.088 4.619 4.740 -0.348 0.000 0.308 51 N C 0.250 175.825 175.510 0.109 0.000 1.281 51 N CA 0.056 53.287 53.050 0.301 0.000 1.212 51 N CB -0.079 38.539 38.487 0.219 0.000 1.478 51 N HN 0.026 nan 8.380 nan 0.000 0.548 52 R N 0.779 121.380 120.500 0.168 0.000 2.404 52 R HA 0.004 4.136 4.340 -0.348 0.000 0.236 52 R C -0.180 175.977 176.300 -0.238 0.000 1.044 52 R CA -0.205 55.905 56.100 0.016 0.000 1.133 52 R CB -0.510 29.852 30.300 0.104 0.000 1.142 52 R HN 0.525 nan 8.270 nan 0.000 0.512 53 Y N 0.228 120.340 120.300 -0.314 0.000 2.379 53 Y HA 0.295 4.639 4.550 -0.344 0.000 0.337 53 Y C -2.305 173.184 175.900 -0.685 0.000 1.238 53 Y CA -3.728 53.803 58.100 -0.948 0.000 1.405 53 Y CB -0.381 37.757 38.460 -0.537 0.000 1.310 53 Y HN -0.110 nan 8.280 nan 0.000 0.569 54 P HA 0.186 nan 4.420 nan 0.000 0.271 54 P C 0.699 177.912 177.300 -0.145 0.000 1.220 54 P CA 1.045 63.946 63.100 -0.332 0.000 0.768 54 P CB 1.160 32.707 31.700 -0.256 0.000 0.848 55 G N 2.081 110.786 108.800 -0.158 0.000 2.175 55 G HA2 -0.189 3.563 3.960 -0.348 0.000 0.244 55 G HA3 -0.189 3.563 3.960 -0.348 0.000 0.244 55 G C 0.406 175.227 174.900 -0.131 0.000 0.982 55 G CA -0.016 45.037 45.100 -0.078 0.000 0.641 55 G HN 0.854 nan 8.290 nan 0.000 0.527 56 A N 0.034 122.567 122.820 -0.479 0.000 2.526 56 A HA 0.570 4.682 4.320 -0.348 0.000 0.267 56 A C 0.039 177.563 177.584 -0.099 0.000 1.095 56 A CA 1.246 52.951 52.037 -0.553 0.000 0.775 56 A CB 0.234 18.698 19.000 -0.893 0.000 1.036 56 A HN 1.671 nan 8.150 nan 0.000 0.510 57 L N 2.885 124.130 121.223 0.037 0.000 2.434 57 L HA 0.585 4.716 4.340 -0.348 0.000 0.260 57 L C 0.393 177.312 176.870 0.082 0.000 0.983 57 L CA -0.027 54.828 54.840 0.025 0.000 0.820 57 L CB 2.276 44.327 42.059 -0.014 0.000 1.361 57 L HN 0.747 nan 8.230 nan 0.000 0.410 58 S N 0.412 116.079 115.700 -0.055 0.000 2.579 58 S HA 0.315 4.576 4.470 -0.348 0.000 0.275 58 S C 0.001 174.638 174.600 0.061 0.000 1.345 58 S CA 0.240 58.360 58.200 -0.133 0.000 1.031 58 S CB 0.845 63.736 63.200 -0.514 0.000 0.892 58 S HN 0.686 nan 8.310 nan 0.000 0.529 59 D N -0.440 120.024 120.400 0.107 0.000 2.593 59 D HA 0.188 4.620 4.640 -0.348 0.000 0.241 59 D C -0.401 176.182 176.300 0.472 0.000 1.257 59 D CA -0.411 53.763 54.000 0.290 0.000 0.828 59 D CB -0.180 40.680 40.800 0.101 0.000 1.049 59 D HN 0.425 nan 8.370 nan 0.000 0.490 60 T N 0.581 115.284 114.554 0.248 0.000 2.799 60 T HA 0.212 4.354 4.350 -0.348 0.000 0.286 60 T C 0.226 174.877 174.700 -0.083 0.000 0.973 60 T CA -0.600 61.615 62.100 0.191 0.000 1.035 60 T CB 1.546 70.398 68.868 -0.026 0.000 0.932 60 T HN 0.063 nan 8.240 nan 0.000 0.469 61 E N 1.766 121.791 120.200 -0.293 0.000 2.442 61 E HA 0.029 4.170 4.350 -0.348 0.000 0.262 61 E C 0.972 177.286 176.600 -0.478 0.000 1.004 61 E CA -0.263 55.763 56.400 -0.624 0.000 0.928 61 E CB 0.492 29.950 29.700 -0.404 0.000 0.937 61 E HN 0.570 nan 8.360 nan 0.000 0.446 62 S N 2.026 117.402 115.700 -0.538 0.000 2.381 62 S HA -0.251 4.010 4.470 -0.348 0.000 0.230 62 S C 1.691 175.745 174.600 -0.909 0.000 1.052 62 S CA 1.859 59.607 58.200 -0.753 0.000 1.068 62 S CB -0.464 62.001 63.200 -1.225 0.000 0.918 62 S HN 0.643 nan 8.310 nan 0.000 0.448 63 H N -0.473 117.965 119.070 -1.053 0.000 2.546 63 H HA 0.180 4.527 4.556 -0.348 0.000 0.277 63 H C 1.365 176.470 175.328 -0.371 0.000 1.004 63 H CA 0.535 56.102 56.048 -0.802 0.000 1.231 63 H CB -0.233 29.209 29.762 -0.533 0.000 1.382 63 H HN 0.297 nan 8.280 nan 0.000 0.580 64 L N -0.512 120.254 121.223 -0.763 0.000 2.701 64 L HA 0.133 4.265 4.340 -0.348 0.000 0.238 64 L C -0.026 176.709 176.870 -0.224 0.000 1.106 64 L CA -0.070 54.392 54.840 -0.630 0.000 0.898 64 L CB -0.513 41.067 42.059 -0.798 0.000 1.188 64 L HN 0.166 nan 8.230 nan 0.000 0.508 65 Y N 3.514 123.585 120.300 -0.383 0.000 2.821 65 Y HA 0.494 4.831 4.550 -0.354 0.000 0.331 65 Y C 0.433 176.151 175.900 -0.304 0.000 1.251 65 Y CA -0.691 57.210 58.100 -0.332 0.000 1.494 65 Y CB -0.501 37.770 38.460 -0.314 0.000 1.493 65 Y HN 0.202 nan 8.280 nan 0.000 0.496 66 R N 0.674 120.928 120.500 -0.409 0.000 2.829 66 R HA 0.275 4.406 4.340 -0.348 0.000 0.284 66 R C -1.736 174.472 176.300 -0.152 0.000 1.006 66 R CA -0.963 54.933 56.100 -0.339 0.000 0.844 66 R CB 0.364 30.338 30.300 -0.544 0.000 1.309 66 R HN 0.119 nan 8.270 nan 0.000 0.494 67 F N 1.076 121.113 119.950 0.146 0.000 2.490 67 F HA 0.194 4.512 4.527 -0.349 0.000 0.336 67 F C 1.808 177.378 175.800 -0.383 0.000 1.178 67 F CA 0.833 58.775 58.000 -0.097 0.000 1.301 67 F CB 1.274 40.212 39.000 -0.103 0.000 1.175 67 F HN 0.765 nan 8.300 nan 0.000 0.593 68 S N 0.539 115.982 115.700 -0.430 0.000 2.559 68 S HA -0.005 4.257 4.470 -0.348 0.000 0.226 68 S C 1.428 175.712 174.600 -0.528 0.000 1.030 68 S CA -0.220 57.449 58.200 -0.885 0.000 0.956 68 S CB -0.828 61.220 63.200 -1.919 0.000 0.900 68 S HN 0.555 nan 8.310 nan 0.000 0.510 69 F N 1.946 121.712 119.950 -0.307 0.000 2.365 69 F HA 0.320 4.637 4.527 -0.350 0.000 0.300 69 F C 0.469 176.201 175.800 -0.112 0.000 1.090 69 F CA 0.324 58.204 58.000 -0.200 0.000 1.408 69 F CB -0.328 38.572 39.000 -0.167 0.000 1.060 69 F HN 0.127 nan 8.300 nan 0.000 0.534 70 D N 1.302 121.311 120.400 -0.653 0.000 2.460 70 D HA 0.159 4.590 4.640 -0.348 0.000 0.232 70 D C 0.957 177.129 176.300 -0.213 0.000 1.079 70 D CA -0.490 53.306 54.000 -0.340 0.000 0.864 70 D CB 1.057 41.600 40.800 -0.427 0.000 1.048 70 D HN 0.363 nan 8.370 nan 0.000 0.523 71 R N 2.401 122.842 120.500 -0.099 0.000 2.115 71 R HA -0.043 4.088 4.340 -0.348 0.000 0.230 71 R C 1.006 177.284 176.300 -0.037 0.000 1.111 71 R CA 0.667 56.727 56.100 -0.067 0.000 0.976 71 R CB 0.112 30.405 30.300 -0.011 0.000 0.870 71 R HN 0.243 nan 8.270 nan 0.000 0.445 72 D N 1.030 121.416 120.400 -0.023 0.000 2.091 72 D HA -0.089 4.342 4.640 -0.348 0.000 0.199 72 D C 1.870 178.163 176.300 -0.011 0.000 0.980 72 D CA 0.766 54.763 54.000 -0.005 0.000 0.831 72 D CB -0.202 40.597 40.800 -0.001 0.000 0.987 72 D HN 0.058 nan 8.370 nan 0.000 0.460 73 L N 1.379 122.577 121.223 -0.042 0.000 2.034 73 L HA -0.217 3.915 4.340 -0.348 0.000 0.217 73 L C 2.297 179.186 176.870 0.032 0.000 1.077 73 L CA 1.504 56.329 54.840 -0.026 0.000 0.769 73 L CB -0.857 41.157 42.059 -0.074 0.000 0.890 73 L HN 0.057 nan 8.230 nan 0.000 0.435 74 L N -1.108 120.095 121.223 -0.032 0.000 2.081 74 L HA -0.260 3.871 4.340 -0.348 0.000 0.212 74 L C 2.602 179.563 176.870 0.151 0.000 1.080 74 L CA 1.221 56.032 54.840 -0.049 0.000 0.754 74 L CB -0.698 41.137 42.059 -0.374 0.000 0.893 74 L HN 0.404 nan 8.230 nan 0.000 0.433 75 Q N -0.304 119.565 119.800 0.116 0.000 2.311 75 Q HA -0.128 4.004 4.340 -0.348 0.000 0.203 75 Q C 1.967 178.028 176.000 0.102 0.000 0.954 75 Q CA 1.070 56.957 55.803 0.140 0.000 0.885 75 Q CB 0.110 28.903 28.738 0.092 0.000 0.963 75 Q HN 0.617 nan 8.270 nan 0.000 0.471 76 E N 0.297 120.549 120.200 0.086 0.000 2.060 76 E HA 0.028 4.170 4.350 -0.348 0.000 0.189 76 E C 0.324 176.977 176.600 0.088 0.000 0.974 76 E CA 0.043 56.479 56.400 0.060 0.000 0.808 76 E CB 0.242 29.959 29.700 0.029 0.000 0.768 76 E HN 0.029 nan 8.360 nan 0.000 0.453 77 S N 0.871 116.672 115.700 0.169 0.000 2.566 77 S HA 0.116 4.378 4.470 -0.348 0.000 0.280 77 S C 0.268 174.988 174.600 0.201 0.000 1.343 77 S CA 0.148 58.492 58.200 0.239 0.000 1.036 77 S CB 0.791 64.210 63.200 0.365 0.000 0.866 77 S HN 0.331 nan 8.310 nan 0.000 0.526 78 T N -0.477 114.185 114.554 0.181 0.000 2.896 78 T HA 0.792 4.933 4.350 -0.348 0.000 0.297 78 T C -1.312 173.518 174.700 0.216 0.000 1.108 78 T CA -1.124 60.965 62.100 -0.019 0.000 1.004 78 T CB 1.189 69.983 68.868 -0.122 0.000 1.159 78 T HN 0.833 nan 8.240 nan 0.000 0.499 79 W N 0.289 121.590 121.300 0.002 0.000 3.083 79 W HA 0.737 5.186 4.660 -0.350 0.000 0.333 79 W C 0.282 176.791 176.519 -0.016 0.000 1.217 79 W CA -1.182 56.157 57.345 -0.010 0.000 1.170 79 W CB 1.106 30.554 29.460 -0.019 0.000 1.437 79 W HN 0.470 nan 8.180 nan 0.000 0.557 80 K N 0.508 121.037 120.400 0.214 0.000 2.098 80 K HA 0.088 4.200 4.320 -0.348 0.000 0.203 80 K C 0.647 177.330 176.600 0.139 0.000 1.051 80 K CA 1.493 57.841 56.287 0.102 0.000 0.957 80 K CB -0.239 32.308 32.500 0.078 0.000 0.738 80 K HN 0.717 nan 8.250 nan 0.000 0.447 81 T N -2.580 112.121 114.554 0.245 0.000 2.864 81 T HA 0.199 4.340 4.350 -0.348 0.000 0.289 81 T C 1.122 175.969 174.700 0.245 0.000 1.082 81 T CA -0.425 61.794 62.100 0.199 0.000 1.009 81 T CB 1.563 70.512 68.868 0.134 0.000 1.234 81 T HN 0.086 nan 8.240 nan 0.000 0.526 82 T N -2.123 112.524 114.554 0.154 0.000 2.995 82 T HA 0.109 4.250 4.350 -0.348 0.000 0.269 82 T C 0.197 174.761 174.700 -0.228 0.000 1.091 82 T CA 0.694 62.807 62.100 0.021 0.000 1.128 82 T CB -0.725 68.169 68.868 0.042 0.000 0.891 82 T HN 0.627 nan 8.240 nan 0.000 0.492 83 Y N -0.315 119.976 120.300 -0.016 0.000 2.587 83 Y HA 0.712 5.051 4.550 -0.350 0.000 0.337 83 Y C -0.348 175.501 175.900 -0.085 0.000 1.065 83 Y CA -1.819 56.239 58.100 -0.069 0.000 1.126 83 Y CB 1.664 40.095 38.460 -0.048 0.000 1.279 83 Y HN 0.027 nan 8.280 nan 0.000 0.489 84 I N 1.411 121.985 120.570 0.007 0.000 2.498 84 I HA 0.363 4.325 4.170 -0.348 0.000 0.290 84 I C -0.290 175.757 176.117 -0.117 0.000 1.032 84 I CA -0.449 60.807 61.300 -0.073 0.000 1.073 84 I CB 1.485 39.391 38.000 -0.158 0.000 1.251 84 I HN 0.793 nan 8.210 nan 0.000 0.426 85 T N 2.779 117.284 114.554 -0.081 0.000 2.828 85 T HA 0.109 4.250 4.350 -0.348 0.000 0.290 85 T C 0.921 175.539 174.700 -0.137 0.000 1.019 85 T CA -0.272 61.776 62.100 -0.087 0.000 1.031 85 T CB 1.424 70.265 68.868 -0.045 0.000 1.001 85 T HN 0.736 nan 8.240 nan 0.000 0.531 86 Q N 0.944 120.715 119.800 -0.049 0.000 2.062 86 Q HA -0.140 3.991 4.340 -0.348 0.000 0.209 86 Q C -0.822 175.217 176.000 0.067 0.000 0.996 86 Q CA 2.399 58.277 55.803 0.125 0.000 0.859 86 Q CB -1.798 27.091 28.738 0.252 0.000 0.920 86 Q HN 0.582 nan 8.270 nan 0.000 0.415 87 P HA -0.106 nan 4.420 nan 0.000 0.218 87 P C 0.785 178.093 177.300 0.013 0.000 1.148 87 P CA 1.520 64.631 63.100 0.018 0.000 0.822 87 P CB -0.168 31.532 31.700 -0.000 0.000 0.784 88 E N -0.748 119.448 120.200 -0.008 0.000 2.072 88 E HA -0.104 4.037 4.350 -0.348 0.000 0.190 88 E C 1.956 178.558 176.600 0.002 0.000 0.982 88 E CA 0.831 57.235 56.400 0.008 0.000 0.803 88 E CB -0.471 29.232 29.700 0.005 0.000 0.755 88 E HN 0.244 nan 8.360 nan 0.000 0.453 89 I N 0.811 121.319 120.570 -0.104 0.000 2.179 89 I HA -0.249 3.713 4.170 -0.348 0.000 0.242 89 I C 2.445 178.565 176.117 0.005 0.000 1.088 89 I CA 0.497 61.703 61.300 -0.156 0.000 1.357 89 I CB -0.204 37.398 38.000 -0.664 0.000 1.051 89 I HN 0.129 nan 8.210 nan 0.000 0.409 90 L N 1.145 122.407 121.223 0.065 0.000 2.042 90 L HA -0.257 3.875 4.340 -0.348 0.000 0.210 90 L C 2.487 179.385 176.870 0.046 0.000 1.076 90 L CA 2.023 56.929 54.840 0.111 0.000 0.749 90 L CB -0.756 41.375 42.059 0.119 0.000 0.893 90 L HN 0.342 nan 8.230 nan 0.000 0.432 91 E N -1.912 118.314 120.200 0.043 0.000 2.106 91 E HA -0.297 3.844 4.350 -0.348 0.000 0.192 91 E C 2.241 178.862 176.600 0.034 0.000 0.984 91 E CA 1.226 57.643 56.400 0.028 0.000 0.806 91 E CB -0.418 29.303 29.700 0.036 0.000 0.750 91 E HN 0.664 nan 8.360 nan 0.000 0.458 92 Y N 1.123 121.396 120.300 -0.045 0.000 2.200 92 Y HA -0.145 4.194 4.550 -0.353 0.000 0.290 92 Y C 1.870 177.730 175.900 -0.067 0.000 1.137 92 Y CA 1.548 59.620 58.100 -0.047 0.000 1.163 92 Y CB -0.150 38.278 38.460 -0.053 0.000 0.988 92 Y HN 0.011 nan 8.280 nan 0.000 0.518 93 L N 0.063 121.168 121.223 -0.195 0.000 2.093 93 L HA -0.160 3.972 4.340 -0.348 0.000 0.208 93 L C 2.477 179.231 176.870 -0.193 0.000 1.085 93 L CA 1.253 55.926 54.840 -0.280 0.000 0.755 93 L CB -0.558 41.384 42.059 -0.195 0.000 0.904 93 L HN 0.240 nan 8.230 nan 0.000 0.435 94 E N 0.109 120.231 120.200 -0.129 0.000 2.118 94 E HA -0.287 3.854 4.350 -0.348 0.000 0.195 94 E C 1.627 178.159 176.600 -0.113 0.000 0.992 94 E CA 1.822 58.160 56.400 -0.102 0.000 0.804 94 E CB -0.176 29.479 29.700 -0.075 0.000 0.741 94 E HN 0.534 nan 8.360 nan 0.000 0.458 95 D N 0.274 120.579 120.400 -0.157 0.000 2.097 95 D HA -0.117 4.314 4.640 -0.348 0.000 0.197 95 D C 2.057 178.223 176.300 -0.223 0.000 0.984 95 D CA 1.025 54.922 54.000 -0.172 0.000 0.826 95 D CB 0.174 40.878 40.800 -0.160 0.000 0.973 95 D HN -0.099 nan 8.370 nan 0.000 0.460 96 V N 0.116 119.848 119.914 -0.303 0.000 2.278 96 V HA -0.280 3.632 4.120 -0.348 0.000 0.251 96 V C 2.601 178.690 176.094 -0.009 0.000 1.062 96 V CA 1.540 63.727 62.300 -0.189 0.000 1.038 96 V CB -0.602 31.145 31.823 -0.125 0.000 0.646 96 V HN 0.193 nan 8.190 nan 0.000 0.447 97 V N 0.166 120.087 119.914 0.011 0.000 2.287 97 V HA -0.284 3.627 4.120 -0.348 0.000 0.248 97 V C 2.283 178.425 176.094 0.080 0.000 1.053 97 V CA 2.346 64.709 62.300 0.105 0.000 1.027 97 V CB -0.714 31.151 31.823 0.071 0.000 0.646 97 V HN 0.583 nan 8.190 nan 0.000 0.447 98 D N -0.486 119.905 120.400 -0.015 0.000 2.117 98 D HA -0.151 4.280 4.640 -0.348 0.000 0.198 98 D C 2.279 178.525 176.300 -0.091 0.000 0.982 98 D CA 1.211 55.191 54.000 -0.033 0.000 0.828 98 D CB -0.334 40.429 40.800 -0.063 0.000 0.967 98 D HN 0.321 nan 8.370 nan 0.000 0.464 99 R N -0.317 120.046 120.500 -0.228 0.000 2.103 99 R HA -0.133 3.998 4.340 -0.348 0.000 0.242 99 R C 0.971 176.932 176.300 -0.565 0.000 1.142 99 R CA 1.188 56.998 56.100 -0.483 0.000 0.960 99 R CB -0.135 29.700 30.300 -0.774 0.000 0.858 99 R HN 0.127 nan 8.270 nan 0.000 0.439 100 F N 0.298 120.241 119.950 -0.012 0.000 2.668 100 F HA 0.198 4.515 4.527 -0.350 0.000 0.301 100 F C -0.094 175.826 175.800 0.200 0.000 1.106 100 F CA -0.491 57.523 58.000 0.023 0.000 1.289 100 F CB 0.270 39.233 39.000 -0.063 0.000 1.006 100 F HN 0.045 nan 8.300 nan 0.000 0.535 101 D N 0.903 121.459 120.400 0.259 0.000 2.699 101 D HA -0.213 4.218 4.640 -0.348 0.000 0.239 101 D C 0.588 177.114 176.300 0.376 0.000 1.136 101 D CA 0.540 54.701 54.000 0.268 0.000 0.668 101 D CB -1.002 39.954 40.800 0.260 0.000 1.060 101 D HN 0.390 nan 8.370 nan 0.000 0.429 102 L N -0.601 120.843 121.223 0.369 0.000 2.416 102 L HA 0.155 4.286 4.340 -0.348 0.000 0.216 102 L C 2.602 179.713 176.870 0.402 0.000 1.098 102 L CA 0.206 55.303 54.840 0.427 0.000 0.840 102 L CB -0.187 42.159 42.059 0.479 0.000 0.981 102 L HN 0.087 nan 8.230 nan 0.000 0.462 103 R N 1.589 122.267 120.500 0.298 0.000 2.105 103 R HA -0.179 3.953 4.340 -0.348 0.000 0.239 103 R C 2.472 178.871 176.300 0.167 0.000 1.135 103 R CA 1.622 57.905 56.100 0.305 0.000 0.967 103 R CB -0.113 30.310 30.300 0.206 0.000 0.861 103 R HN 0.376 nan 8.270 nan 0.000 0.442 104 R N -1.019 119.464 120.500 -0.029 0.000 2.241 104 R HA -0.122 4.010 4.340 -0.348 0.000 0.224 104 R C 0.762 176.812 176.300 -0.417 0.000 1.101 104 R CA 1.434 57.395 56.100 -0.232 0.000 0.995 104 R CB -0.372 29.729 30.300 -0.332 0.000 0.870 104 R HN 0.432 nan 8.270 nan 0.000 0.463 105 H N -0.733 118.243 119.070 -0.156 0.000 2.551 105 H HA 0.205 4.552 4.556 -0.348 0.000 0.271 105 H C -0.319 174.658 175.328 -0.585 0.000 0.984 105 H CA 0.028 55.836 56.048 -0.400 0.000 1.164 105 H CB 0.121 29.559 29.762 -0.540 0.000 1.437 105 H HN 0.075 nan 8.280 nan 0.000 0.550 106 F N 0.929 120.658 119.950 -0.368 0.000 2.458 106 F HA 0.330 4.659 4.527 -0.331 0.000 0.330 106 F C 0.316 175.692 175.800 -0.706 0.000 1.082 106 F CA -0.979 56.614 58.000 -0.678 0.000 0.995 106 F CB 1.483 39.843 39.000 -1.067 0.000 1.170 106 F HN -0.353 nan 8.300 nan 0.000 0.478 107 K N 3.159 123.248 120.400 -0.518 0.000 2.404 107 K HA 0.380 4.492 4.320 -0.348 0.000 0.257 107 K C -1.140 175.367 176.600 -0.156 0.000 1.026 107 K CA -0.173 55.962 56.287 -0.253 0.000 0.951 107 K CB 0.275 32.718 32.500 -0.095 0.000 1.203 107 K HN 0.237 nan 8.250 nan 0.000 0.446 108 F N 0.351 120.368 119.950 0.111 0.000 2.368 108 F HA 0.351 4.692 4.527 -0.311 0.000 0.308 108 F C 1.798 177.678 175.800 0.134 0.000 1.198 108 F CA -0.152 57.891 58.000 0.072 0.000 1.130 108 F CB 0.656 39.638 39.000 -0.029 0.000 1.300 108 F HN 0.666 nan 8.300 nan 0.000 0.537 109 G N 0.608 109.603 108.800 0.325 0.000 2.187 109 G HA2 -0.248 3.503 3.960 -0.348 0.000 0.261 109 G HA3 -0.248 3.503 3.960 -0.348 0.000 0.261 109 G C -0.079 175.010 174.900 0.315 0.000 1.000 109 G CA 0.519 45.790 45.100 0.286 0.000 0.718 109 G HN 0.721 nan 8.290 nan 0.000 0.519 110 T N 0.028 114.749 114.554 0.279 0.000 2.906 110 T HA 0.489 4.631 4.350 -0.348 0.000 0.302 110 T C -0.387 174.390 174.700 0.128 0.000 1.002 110 T CA -0.474 61.756 62.100 0.216 0.000 0.988 110 T CB 2.061 71.177 68.868 0.413 0.000 0.972 110 T HN 0.396 nan 8.240 nan 0.000 0.447 111 E N 3.081 123.275 120.200 -0.010 0.000 2.227 111 E HA 0.388 4.530 4.350 -0.348 0.000 0.282 111 E C -0.538 175.983 176.600 -0.132 0.000 1.015 111 E CA -0.620 55.764 56.400 -0.027 0.000 0.823 111 E CB 0.916 30.603 29.700 -0.023 0.000 1.081 111 E HN 0.295 nan 8.360 nan 0.000 0.396 112 V N 4.777 124.592 119.914 -0.165 0.000 2.470 112 V HA 0.012 3.923 4.120 -0.348 0.000 0.276 112 V C 1.225 177.260 176.094 -0.100 0.000 1.040 112 V CA 0.630 62.796 62.300 -0.223 0.000 1.008 112 V CB 0.985 32.660 31.823 -0.247 0.000 0.990 112 V HN 0.935 nan 8.190 nan 0.000 0.477 113 T N 0.161 114.669 114.554 -0.077 0.000 3.001 113 T HA 0.230 4.372 4.350 -0.348 0.000 0.251 113 T C 0.566 175.270 174.700 0.007 0.000 1.040 113 T CA 0.358 62.442 62.100 -0.025 0.000 0.985 113 T CB 0.414 69.268 68.868 -0.023 0.000 1.011 113 T HN 0.617 nan 8.240 nan 0.000 0.509 114 S N -0.057 115.649 115.700 0.009 0.000 2.537 114 S HA 0.679 4.941 4.470 -0.348 0.000 0.271 114 S C -2.086 172.568 174.600 0.089 0.000 1.148 114 S CA -0.300 57.929 58.200 0.048 0.000 0.868 114 S CB 1.392 64.619 63.200 0.045 0.000 1.115 114 S HN 0.863 nan 8.310 nan 0.000 0.461 115 A N 4.064 126.979 122.820 0.159 0.000 2.530 115 A HA 0.676 4.788 4.320 -0.348 0.000 0.279 115 A C -1.491 176.348 177.584 0.425 0.000 1.109 115 A CA -0.505 51.717 52.037 0.308 0.000 0.763 115 A CB 0.485 19.658 19.000 0.289 0.000 1.257 115 A HN 0.794 nan 8.150 nan 0.000 0.424 116 L N 2.089 123.522 121.223 0.349 0.000 2.341 116 L HA 0.455 4.587 4.340 -0.348 0.000 0.278 116 L C -0.517 176.312 176.870 -0.068 0.000 1.005 116 L CA -0.956 53.971 54.840 0.146 0.000 0.818 116 L CB 1.609 43.675 42.059 0.013 0.000 1.259 116 L HN 0.727 nan 8.230 nan 0.000 0.418 117 Y N 3.687 123.570 120.300 -0.696 0.000 2.425 117 Y HA 0.328 4.670 4.550 -0.348 0.000 0.331 117 Y C -0.330 175.214 175.900 -0.594 0.000 1.157 117 Y CA -0.184 57.213 58.100 -1.171 0.000 1.372 117 Y CB 0.664 38.237 38.460 -1.479 0.000 1.253 117 Y HN 0.377 nan 8.280 nan 0.000 0.536 118 L N 7.031 127.639 121.223 -1.024 0.000 2.283 118 L HA 0.267 4.399 4.340 -0.348 0.000 0.281 118 L C 0.498 176.866 176.870 -0.836 0.000 1.033 118 L CA -0.439 53.989 54.840 -0.686 0.000 0.848 118 L CB 1.036 42.821 42.059 -0.457 0.000 1.226 118 L HN 0.689 nan 8.230 nan 0.000 0.429 119 D N 0.681 120.792 120.400 -0.480 0.000 2.104 119 D HA -0.208 4.224 4.640 -0.348 0.000 0.194 119 D C 1.368 177.526 176.300 -0.238 0.000 0.994 119 D CA 1.604 55.452 54.000 -0.253 0.000 0.830 119 D CB 0.263 41.008 40.800 -0.092 0.000 0.959 119 D HN 0.559 nan 8.370 nan 0.000 0.452 120 D N 0.502 120.772 120.400 -0.216 0.000 2.104 120 D HA -0.135 4.296 4.640 -0.348 0.000 0.194 120 D C 1.810 178.002 176.300 -0.180 0.000 0.994 120 D CA 1.023 54.926 54.000 -0.162 0.000 0.830 120 D CB -0.222 40.496 40.800 -0.136 0.000 0.959 120 D HN 0.487 nan 8.370 nan 0.000 0.452 121 E N 0.072 120.124 120.200 -0.247 0.000 2.474 121 E HA 0.002 4.144 4.350 -0.348 0.000 0.195 121 E C -0.258 176.186 176.600 -0.260 0.000 1.039 121 E CA -0.131 56.139 56.400 -0.218 0.000 0.881 121 E CB -0.653 28.936 29.700 -0.185 0.000 0.970 121 E HN 0.232 nan 8.360 nan 0.000 0.486 122 N N 0.648 119.114 118.700 -0.391 0.000 2.738 122 N HA -0.171 4.360 4.740 -0.348 0.000 0.249 122 N C -1.096 174.167 175.510 -0.411 0.000 1.047 122 N CA 0.415 53.229 53.050 -0.392 0.000 0.707 122 N CB -1.259 37.164 38.487 -0.107 0.000 0.937 122 N HN 0.231 nan 8.380 nan 0.000 0.545 123 L N -1.137 119.715 121.223 -0.618 0.000 2.309 123 L HA 0.658 4.790 4.340 -0.348 0.000 0.261 123 L C -0.209 176.363 176.870 -0.498 0.000 1.021 123 L CA -0.916 53.707 54.840 -0.361 0.000 0.823 123 L CB 1.059 42.998 42.059 -0.199 0.000 1.366 123 L HN 0.044 nan 8.230 nan 0.000 0.423 124 W N 0.760 122.026 121.300 -0.056 0.000 2.390 124 W HA 0.433 4.886 4.660 -0.345 0.000 0.312 124 W C -0.014 176.522 176.519 0.028 0.000 1.123 124 W CA -0.087 57.283 57.345 0.041 0.000 1.202 124 W CB 1.280 30.843 29.460 0.172 0.000 1.251 124 W HN 0.328 nan 8.180 nan 0.000 0.511 125 E N 2.591 122.927 120.200 0.226 0.000 2.129 125 E HA 0.464 4.606 4.350 -0.348 0.000 0.268 125 E C -1.451 175.274 176.600 0.208 0.000 0.900 125 E CA -0.429 56.065 56.400 0.157 0.000 0.755 125 E CB 1.072 30.796 29.700 0.039 0.000 1.117 125 E HN 0.225 nan 8.360 nan 0.000 0.410 126 V N 4.014 124.058 119.914 0.216 0.000 2.495 126 V HA 0.411 4.322 4.120 -0.348 0.000 0.298 126 V C -0.192 175.979 176.094 0.128 0.000 1.031 126 V CA -0.595 61.806 62.300 0.169 0.000 0.871 126 V CB 1.998 33.916 31.823 0.158 0.000 0.988 126 V HN 0.716 nan 8.190 nan 0.000 0.432 127 T N 2.878 117.462 114.554 0.050 0.000 2.856 127 T HA 0.592 4.733 4.350 -0.348 0.000 0.283 127 T C 0.124 174.792 174.700 -0.052 0.000 1.008 127 T CA -0.493 61.628 62.100 0.035 0.000 0.997 127 T CB 1.753 70.642 68.868 0.036 0.000 0.992 127 T HN 0.891 nan 8.240 nan 0.000 0.454 128 T N -1.315 113.215 114.554 -0.039 0.000 2.936 128 T HA 0.325 4.466 4.350 -0.348 0.000 0.282 128 T C 1.012 175.678 174.700 -0.057 0.000 1.003 128 T CA -0.742 61.295 62.100 -0.105 0.000 1.005 128 T CB 0.995 69.821 68.868 -0.070 0.000 1.097 128 T HN 0.546 nan 8.240 nan 0.000 0.532 129 D N -0.589 119.731 120.400 -0.133 0.000 2.351 129 D HA -0.154 4.278 4.640 -0.348 0.000 0.216 129 D C 1.197 177.419 176.300 -0.130 0.000 0.968 129 D CA 1.046 54.959 54.000 -0.146 0.000 0.899 129 D CB -0.467 40.208 40.800 -0.208 0.000 0.907 129 D HN 0.683 nan 8.370 nan 0.000 0.514 130 H N -0.482 118.625 119.070 0.061 0.000 2.563 130 H HA 0.290 4.636 4.556 -0.351 0.000 0.264 130 H C 1.786 177.154 175.328 0.067 0.000 0.957 130 H CA 0.881 56.973 56.048 0.074 0.000 1.173 130 H CB 0.753 30.576 29.762 0.102 0.000 1.420 130 H HN 0.427 nan 8.280 nan 0.000 0.551 131 G N 1.122 110.013 108.800 0.151 0.000 2.176 131 G HA2 -0.245 3.507 3.960 -0.348 0.000 0.232 131 G HA3 -0.245 3.507 3.960 -0.348 0.000 0.232 131 G C -0.141 174.826 174.900 0.111 0.000 0.986 131 G CA 0.014 45.178 45.100 0.105 0.000 0.643 131 G HN 0.367 nan 8.290 nan 0.000 0.522 132 E N -0.187 120.116 120.200 0.171 0.000 2.366 132 E HA 0.553 4.694 4.350 -0.348 0.000 0.266 132 E C 0.227 176.924 176.600 0.162 0.000 1.051 132 E CA -0.245 56.263 56.400 0.181 0.000 0.884 132 E CB 1.880 31.769 29.700 0.316 0.000 1.006 132 E HN 0.260 nan 8.360 nan 0.000 0.417 133 V N 3.239 123.184 119.914 0.051 0.000 2.540 133 V HA 0.361 4.272 4.120 -0.348 0.000 0.302 133 V C -1.128 174.946 176.094 -0.035 0.000 1.035 133 V CA -0.827 61.510 62.300 0.061 0.000 0.873 133 V CB 0.640 32.456 31.823 -0.011 0.000 0.992 133 V HN 0.556 nan 8.190 nan 0.000 0.428 134 Y N 2.902 123.291 120.300 0.149 0.000 2.429 134 Y HA 0.660 5.002 4.550 -0.346 0.000 0.342 134 Y C 0.444 176.421 175.900 0.129 0.000 1.004 134 Y CA -0.879 57.332 58.100 0.185 0.000 1.075 134 Y CB 1.896 40.507 38.460 0.252 0.000 1.214 134 Y HN 0.428 nan 8.280 nan 0.000 0.455 135 R N 1.866 122.506 120.500 0.232 0.000 2.387 135 R HA 0.857 4.988 4.340 -0.348 0.000 0.314 135 R C -1.094 175.319 176.300 0.189 0.000 0.958 135 R CA -0.835 55.362 56.100 0.162 0.000 0.846 135 R CB 1.501 31.835 30.300 0.057 0.000 1.147 135 R HN 0.746 nan 8.270 nan 0.000 0.447 136 A N 2.275 125.217 122.820 0.204 0.000 2.414 136 A HA 0.331 4.443 4.320 -0.348 0.000 0.306 136 A C 0.156 177.831 177.584 0.152 0.000 1.054 136 A CA -0.830 51.324 52.037 0.195 0.000 0.724 136 A CB 1.500 20.645 19.000 0.240 0.000 1.267 136 A HN 0.782 nan 8.150 nan 0.000 0.418 137 K N 0.094 120.507 120.400 0.022 0.000 2.155 137 K HA 0.003 4.114 4.320 -0.348 0.000 0.203 137 K C -0.686 175.695 176.600 -0.366 0.000 1.052 137 K CA 1.429 57.566 56.287 -0.250 0.000 0.948 137 K CB -0.121 32.085 32.500 -0.490 0.000 0.728 137 K HN 0.660 nan 8.250 nan 0.000 0.448 138 Y N -0.453 119.998 120.300 0.252 0.000 2.499 138 Y HA 0.397 4.738 4.550 -0.348 0.000 0.347 138 Y C -0.485 175.484 175.900 0.114 0.000 0.987 138 Y CA -1.298 56.937 58.100 0.225 0.000 1.044 138 Y CB 1.933 40.512 38.460 0.198 0.000 1.245 138 Y HN -0.395 nan 8.280 nan 0.000 0.461 139 V N 3.358 123.349 119.914 0.128 0.000 2.531 139 V HA 0.480 4.391 4.120 -0.348 0.000 0.301 139 V C -0.916 175.118 176.094 -0.099 0.000 1.034 139 V CA -0.914 61.331 62.300 -0.092 0.000 0.865 139 V CB 1.753 33.339 31.823 -0.395 0.000 0.995 139 V HN 0.551 nan 8.190 nan 0.000 0.424 140 V N 4.385 124.267 119.914 -0.053 0.000 2.328 140 V HA 0.383 4.295 4.120 -0.348 0.000 0.278 140 V C -0.099 175.916 176.094 -0.132 0.000 1.021 140 V CA -0.774 61.494 62.300 -0.053 0.000 0.838 140 V CB 1.346 33.171 31.823 0.003 0.000 0.999 140 V HN 0.943 nan 8.190 nan 0.000 0.447 141 N N 3.619 122.179 118.700 -0.234 0.000 2.469 141 N HA 0.555 5.086 4.740 -0.348 0.000 0.239 141 N C 0.083 175.561 175.510 -0.054 0.000 1.053 141 N CA -0.140 52.788 53.050 -0.203 0.000 0.937 141 N CB 1.377 39.669 38.487 -0.325 0.000 1.163 141 N HN 0.841 nan 8.380 nan 0.000 0.509 142 A N 2.079 124.895 122.820 -0.007 0.000 3.158 142 A HA 0.259 4.371 4.320 -0.348 0.000 0.319 142 A C 0.556 178.171 177.584 0.051 0.000 1.204 142 A CA -0.454 51.623 52.037 0.066 0.000 0.992 142 A CB 0.015 19.089 19.000 0.123 0.000 1.110 142 A HN 0.543 nan 8.150 nan 0.000 0.519 143 V N 0.371 120.270 119.914 -0.024 0.000 3.647 143 V HA 0.381 4.293 4.120 -0.348 0.000 0.279 143 V C 1.139 177.210 176.094 -0.039 0.000 1.314 143 V CA 1.307 63.552 62.300 -0.091 0.000 1.125 143 V CB -0.433 31.183 31.823 -0.345 0.000 0.907 143 V HN 1.490 nan 8.190 nan 0.000 0.434 144 G N 0.547 109.359 108.800 0.021 0.000 3.019 144 G HA2 -0.132 3.620 3.960 -0.348 0.000 0.686 144 G HA3 -0.132 3.620 3.960 -0.348 0.000 0.686 144 G C -0.199 174.706 174.900 0.010 0.000 1.056 144 G CA -0.197 44.911 45.100 0.014 0.000 0.774 144 G HN 0.536 nan 8.290 nan 0.000 0.583 145 L N 0.160 121.392 121.223 0.015 0.000 2.558 145 L HA 0.579 4.711 4.340 -0.348 0.000 0.225 145 L C 1.197 177.999 176.870 -0.112 0.000 1.128 145 L CA 0.650 55.507 54.840 0.029 0.000 0.868 145 L CB -0.176 41.954 42.059 0.117 0.000 1.006 145 L HN 0.482 nan 8.230 nan 0.000 0.454 146 L N 0.386 121.416 121.223 -0.322 0.000 2.574 146 L HA 0.351 4.483 4.340 -0.348 0.000 0.258 146 L C 0.600 176.789 176.870 -1.134 0.000 1.520 146 L CA 0.440 54.766 54.840 -0.857 0.000 0.775 146 L CB 0.630 42.105 42.059 -0.972 0.000 1.028 146 L HN 0.273 nan 8.230 nan 0.000 0.516 147 S N -1.789 113.619 115.700 -0.487 0.000 2.648 147 S HA 0.274 4.536 4.470 -0.348 0.000 0.270 147 S C 0.755 175.381 174.600 0.044 0.000 1.080 147 S CA 0.271 58.350 58.200 -0.202 0.000 1.159 147 S CB 0.707 63.829 63.200 -0.131 0.000 1.091 147 S HN 0.222 nan 8.310 nan 0.000 0.605 148 A N 2.528 125.410 122.820 0.103 0.000 2.539 148 A HA 0.589 4.700 4.320 -0.348 0.000 0.306 148 A C 0.120 177.804 177.584 0.168 0.000 1.392 148 A CA -0.459 51.636 52.037 0.098 0.000 1.060 148 A CB -0.843 18.212 19.000 0.091 0.000 1.134 148 A HN 0.581 nan 8.150 nan 0.000 0.542 149 I N 2.929 123.509 120.570 0.016 0.000 2.741 149 I HA -0.105 3.856 4.170 -0.348 0.000 0.288 149 I C 1.008 177.026 176.117 -0.166 0.000 1.192 149 I CA 0.525 61.678 61.300 -0.244 0.000 1.426 149 I CB 0.297 37.992 38.000 -0.508 0.000 1.367 149 I HN 0.707 nan 8.210 nan 0.000 0.563 150 N N 7.443 126.035 118.700 -0.181 0.000 2.422 150 N HA 0.239 4.771 4.740 -0.348 0.000 0.266 150 N C -1.357 174.188 175.510 0.059 0.000 1.007 150 N CA -0.342 52.702 53.050 -0.010 0.000 0.941 150 N CB 0.714 39.220 38.487 0.031 0.000 1.115 150 N HN 0.477 nan 8.380 nan 0.000 0.492 151 F N 5.674 125.607 119.950 -0.028 0.000 2.809 151 F HA 0.354 4.670 4.527 -0.352 0.000 0.369 151 F C -1.967 173.824 175.800 -0.016 0.000 1.225 151 F CA -1.724 56.257 58.000 -0.031 0.000 1.201 151 F CB 1.153 40.035 39.000 -0.196 0.000 1.527 151 F HN 0.390 nan 8.300 nan 0.000 0.565 152 P HA -0.014 nan 4.420 nan 0.000 0.265 152 P C -1.035 176.431 177.300 0.277 0.000 1.193 152 P CA 0.034 63.299 63.100 0.275 0.000 0.765 152 P CB 0.595 32.448 31.700 0.255 0.000 0.823 153 N N 3.776 122.564 118.700 0.147 0.000 2.482 153 N HA 0.149 4.681 4.740 -0.348 0.000 0.242 153 N C 0.300 175.870 175.510 0.101 0.000 1.100 153 N CA -0.136 52.968 53.050 0.090 0.000 0.946 153 N CB 0.184 38.689 38.487 0.030 0.000 1.227 153 N HN 0.369 nan 8.380 nan 0.000 0.508 154 L N 2.351 123.656 121.223 0.137 0.000 2.439 154 L HA 0.249 4.380 4.340 -0.348 0.000 0.269 154 L C -1.584 175.317 176.870 0.051 0.000 1.179 154 L CA -1.649 53.242 54.840 0.085 0.000 0.828 154 L CB -0.290 41.817 42.059 0.079 0.000 1.106 154 L HN 0.162 nan 8.230 nan 0.000 0.467 155 P HA 0.013 nan 4.420 nan 0.000 0.264 155 P C 0.769 178.086 177.300 0.028 0.000 1.193 155 P CA 0.589 63.704 63.100 0.026 0.000 0.763 155 P CB 0.833 32.545 31.700 0.020 0.000 0.810 156 G N 1.983 110.803 108.800 0.033 0.000 2.184 156 G HA2 -0.336 3.415 3.960 -0.348 0.000 0.264 156 G HA3 -0.336 3.415 3.960 -0.348 0.000 0.264 156 G C 0.689 175.627 174.900 0.063 0.000 0.975 156 G CA 0.252 45.379 45.100 0.045 0.000 0.642 156 G HN 0.532 nan 8.290 nan 0.000 0.536 157 L N 2.170 123.427 121.223 0.057 0.000 2.021 157 L HA -0.045 4.087 4.340 -0.348 0.000 0.215 157 L C 2.345 179.277 176.870 0.104 0.000 1.074 157 L CA 3.271 58.157 54.840 0.077 0.000 0.760 157 L CB -0.805 41.292 42.059 0.064 0.000 0.889 157 L HN 0.606 nan 8.230 nan 0.000 0.433 158 D N -3.772 116.662 120.400 0.057 0.000 2.378 158 D HA -0.112 4.320 4.640 -0.348 0.000 0.227 158 D C 1.561 177.903 176.300 0.070 0.000 1.012 158 D CA 0.848 54.877 54.000 0.049 0.000 0.905 158 D CB -0.344 40.460 40.800 0.007 0.000 0.895 158 D HN 0.234 nan 8.370 nan 0.000 0.532 159 T N -0.481 114.133 114.554 0.100 0.000 3.035 159 T HA 0.043 4.185 4.350 -0.348 0.000 0.259 159 T C 0.101 174.891 174.700 0.151 0.000 1.078 159 T CA -0.352 61.808 62.100 0.099 0.000 1.132 159 T CB -0.319 68.602 68.868 0.089 0.000 0.900 159 T HN 0.170 nan 8.240 nan 0.000 0.480 160 F N 3.223 123.191 119.950 0.029 0.000 2.571 160 F HA 0.048 4.365 4.527 -0.351 0.000 0.390 160 F C 1.202 177.021 175.800 0.032 0.000 1.043 160 F CA -0.529 57.495 58.000 0.040 0.000 1.164 160 F CB 0.312 39.349 39.000 0.061 0.000 1.049 160 F HN 0.134 nan 8.300 nan 0.000 0.552 161 E N 3.320 123.268 120.200 -0.420 0.000 2.482 161 E HA 0.068 4.210 4.350 -0.348 0.000 0.196 161 E C 1.232 177.488 176.600 -0.572 0.000 1.047 161 E CA 0.259 56.428 56.400 -0.385 0.000 0.869 161 E CB 0.101 29.654 29.700 -0.246 0.000 0.836 161 E HN 0.801 nan 8.360 nan 0.000 0.520 162 G N 0.705 108.731 108.800 -1.289 0.000 2.532 162 G HA2 0.193 3.944 3.960 -0.348 0.000 0.291 162 G HA3 0.193 3.944 3.960 -0.348 0.000 0.291 162 G C -0.471 174.307 174.900 -0.203 0.000 1.349 162 G CA -0.616 43.996 45.100 -0.813 0.000 1.038 162 G HN -0.015 nan 8.290 nan 0.000 0.518 163 E N -0.749 119.500 120.200 0.082 0.000 2.331 163 E HA 0.387 4.529 4.350 -0.348 0.000 0.272 163 E C -0.671 176.115 176.600 0.310 0.000 1.036 163 E CA 0.043 56.534 56.400 0.152 0.000 0.864 163 E CB 1.429 31.168 29.700 0.066 0.000 1.035 163 E HN 0.215 nan 8.360 nan 0.000 0.408 164 T N 2.815 117.505 114.554 0.226 0.000 2.812 164 T HA 0.551 4.693 4.350 -0.348 0.000 0.282 164 T C -1.080 173.719 174.700 0.165 0.000 0.990 164 T CA -0.549 61.704 62.100 0.254 0.000 0.960 164 T CB 0.277 69.315 68.868 0.283 0.000 0.948 164 T HN 0.242 nan 8.240 nan 0.000 0.438 165 I N 4.542 125.192 120.570 0.133 0.000 2.499 165 I HA 0.355 4.317 4.170 -0.348 0.000 0.288 165 I C -0.156 176.001 176.117 0.067 0.000 1.048 165 I CA -0.864 60.447 61.300 0.018 0.000 1.062 165 I CB 1.938 39.732 38.000 -0.344 0.000 1.238 165 I HN 0.591 nan 8.210 nan 0.000 0.426 166 H N 4.464 123.533 119.070 -0.001 0.000 2.502 166 H HA 0.178 4.522 4.556 -0.353 0.000 0.327 166 H C 0.917 176.307 175.328 0.103 0.000 1.099 166 H CA 0.339 56.323 56.048 -0.106 0.000 1.323 166 H CB 1.814 31.442 29.762 -0.223 0.000 1.450 166 H HN 0.872 nan 8.280 nan 0.000 0.502 167 T N 1.351 115.834 114.554 -0.118 0.000 2.759 167 T HA -0.152 3.990 4.350 -0.348 0.000 0.269 167 T C 1.728 176.690 174.700 0.436 0.000 1.042 167 T CA 1.043 63.254 62.100 0.185 0.000 1.140 167 T CB -0.209 68.469 68.868 -0.318 0.000 0.864 167 T HN 0.514 nan 8.240 nan 0.000 0.455 168 A N 0.605 123.728 122.820 0.505 0.000 2.278 168 A HA 0.751 4.862 4.320 -0.348 0.000 0.212 168 A C 1.834 179.693 177.584 0.459 0.000 1.213 168 A CA 0.379 52.731 52.037 0.526 0.000 0.840 168 A CB -0.416 18.903 19.000 0.532 0.000 0.866 168 A HN 0.796 nan 8.150 nan 0.000 0.489 169 A N -1.502 121.597 122.820 0.465 0.000 2.610 169 A HA 0.322 4.434 4.320 -0.348 0.000 0.290 169 A C -0.120 177.721 177.584 0.429 0.000 1.001 169 A CA -0.475 51.825 52.037 0.438 0.000 1.004 169 A CB -0.297 18.859 19.000 0.260 0.000 1.220 169 A HN 0.529 nan 8.150 nan 0.000 0.507 170 W N 2.523 123.996 121.300 0.288 0.000 2.397 170 W HA 0.210 4.635 4.660 -0.391 0.000 0.327 170 W C -2.823 173.795 176.519 0.164 0.000 1.421 170 W CA -1.176 56.298 57.345 0.216 0.000 1.288 170 W CB 0.465 30.062 29.460 0.228 0.000 1.312 170 W HN 0.188 nan 8.180 nan 0.000 0.559 171 P HA -0.035 nan 4.420 nan 0.000 0.268 171 P C -0.376 177.050 177.300 0.210 0.000 1.205 171 P CA 0.335 63.504 63.100 0.114 0.000 0.771 171 P CB 0.525 32.221 31.700 -0.006 0.000 0.858 172 E N 1.817 122.088 120.200 0.117 0.000 2.376 172 E HA 0.215 4.357 4.350 -0.348 0.000 0.266 172 E C 1.066 177.736 176.600 0.116 0.000 1.009 172 E CA 0.673 57.132 56.400 0.098 0.000 0.902 172 E CB -0.299 29.393 29.700 -0.014 0.000 0.972 172 E HN 0.766 nan 8.360 nan 0.000 0.439 173 G N 4.191 113.078 108.800 0.145 0.000 2.205 173 G HA2 -0.342 3.409 3.960 -0.348 0.000 0.261 173 G HA3 -0.342 3.409 3.960 -0.348 0.000 0.261 173 G C 0.350 175.355 174.900 0.174 0.000 0.980 173 G CA 0.550 45.726 45.100 0.127 0.000 0.632 173 G HN 0.551 nan 8.290 nan 0.000 0.533 174 K N 1.367 121.919 120.400 0.252 0.000 2.402 174 K HA 0.503 4.614 4.320 -0.348 0.000 0.285 174 K C 0.281 177.123 176.600 0.403 0.000 1.054 174 K CA 0.656 57.089 56.287 0.242 0.000 1.001 174 K CB 0.423 32.958 32.500 0.058 0.000 0.946 174 K HN 0.225 nan 8.250 nan 0.000 0.473 175 S N 4.434 120.286 115.700 0.254 0.000 2.503 175 S HA 0.419 4.681 4.470 -0.348 0.000 0.301 175 S C 0.183 174.912 174.600 0.215 0.000 1.087 175 S CA -0.928 57.421 58.200 0.249 0.000 1.042 175 S CB 0.651 63.943 63.200 0.152 0.000 1.043 175 S HN 0.682 nan 8.310 nan 0.000 0.489 176 L N 3.162 124.532 121.223 0.245 0.000 2.769 176 L HA 0.414 4.545 4.340 -0.348 0.000 0.240 176 L C 1.030 177.983 176.870 0.138 0.000 1.163 176 L CA -0.424 54.534 54.840 0.195 0.000 0.962 176 L CB -0.276 41.938 42.059 0.258 0.000 1.258 176 L HN 0.741 nan 8.230 nan 0.000 0.513 177 A N 0.551 123.440 122.820 0.115 0.000 2.566 177 A HA 0.361 4.472 4.320 -0.348 0.000 0.245 177 A C 1.449 179.077 177.584 0.074 0.000 1.056 177 A CA 0.999 53.085 52.037 0.082 0.000 0.757 177 A CB -0.301 18.738 19.000 0.066 0.000 0.979 177 A HN 0.674 nan 8.150 nan 0.000 0.508 178 G N 2.199 111.039 108.800 0.067 0.000 2.175 178 G HA2 -0.193 3.558 3.960 -0.348 0.000 0.244 178 G HA3 -0.193 3.558 3.960 -0.348 0.000 0.244 178 G C 0.338 175.280 174.900 0.070 0.000 0.982 178 G CA 0.291 45.427 45.100 0.061 0.000 0.641 178 G HN 0.855 nan 8.290 nan 0.000 0.527 179 R N -0.274 120.277 120.500 0.085 0.000 2.607 179 R HA 0.641 4.772 4.340 -0.348 0.000 0.261 179 R C 0.195 176.565 176.300 0.117 0.000 1.051 179 R CA -0.831 55.327 56.100 0.096 0.000 1.110 179 R CB 0.613 30.977 30.300 0.106 0.000 1.158 179 R HN 0.251 nan 8.270 nan 0.000 0.543 180 R N 0.583 121.162 120.500 0.132 0.000 2.215 180 R HA 0.374 4.506 4.340 -0.348 0.000 0.337 180 R C -0.714 175.703 176.300 0.195 0.000 1.010 180 R CA -0.369 55.832 56.100 0.169 0.000 0.871 180 R CB 1.147 31.536 30.300 0.148 0.000 1.134 180 R HN 0.202 nan 8.270 nan 0.000 0.477 181 V N 1.961 121.988 119.914 0.189 0.000 2.604 181 V HA 0.602 4.513 4.120 -0.348 0.000 0.305 181 V C 0.440 176.632 176.094 0.163 0.000 1.043 181 V CA -0.924 61.483 62.300 0.178 0.000 0.888 181 V CB 2.084 33.998 31.823 0.152 0.000 0.995 181 V HN 0.885 nan 8.190 nan 0.000 0.429 182 G N 2.601 111.512 108.800 0.185 0.000 2.388 182 G HA2 0.648 4.399 3.960 -0.348 0.000 0.330 182 G HA3 0.648 4.399 3.960 -0.348 0.000 0.330 182 G C -1.160 173.827 174.900 0.144 0.000 1.142 182 G CA -0.504 44.724 45.100 0.214 0.000 0.908 182 G HN 0.558 nan 8.290 nan 0.000 0.473 183 V N 3.120 123.100 119.914 0.111 0.000 2.555 183 V HA 0.424 4.336 4.120 -0.348 0.000 0.302 183 V C -0.304 175.818 176.094 0.047 0.000 1.038 183 V CA -0.845 61.473 62.300 0.030 0.000 0.887 183 V CB 1.773 33.594 31.823 -0.004 0.000 0.991 183 V HN 0.563 nan 8.190 nan 0.000 0.434 184 I N 4.028 124.489 120.570 -0.181 0.000 2.328 184 I HA 0.728 4.689 4.170 -0.348 0.000 0.287 184 I C 0.605 176.588 176.117 -0.224 0.000 1.012 184 I CA 0.190 61.335 61.300 -0.259 0.000 1.195 184 I CB 0.735 38.305 38.000 -0.716 0.000 1.350 184 I HN 0.924 nan 8.210 nan 0.000 0.464 185 G N 4.097 112.834 108.800 -0.105 0.000 2.885 185 G HA2 -0.033 3.719 3.960 -0.348 0.000 0.685 185 G HA3 -0.033 3.719 3.960 -0.348 0.000 0.685 185 G C -0.227 174.632 174.900 -0.068 0.000 1.216 185 G CA -0.317 44.728 45.100 -0.093 0.000 0.790 185 G HN 0.820 nan 8.290 nan 0.000 0.631 186 T N -0.170 114.358 114.554 -0.042 0.000 3.633 186 T HA 0.657 4.799 4.350 -0.348 0.000 0.278 186 T C 1.178 175.828 174.700 -0.082 0.000 0.991 186 T CA 0.918 62.981 62.100 -0.061 0.000 1.036 186 T CB 0.499 69.384 68.868 0.027 0.000 1.148 186 T HN 1.787 nan 8.240 nan 0.000 0.501 187 G N 0.867 109.635 108.800 -0.055 0.000 2.504 187 G HA2 0.359 4.111 3.960 -0.348 0.000 0.257 187 G HA3 0.359 4.111 3.960 -0.348 0.000 0.257 187 G C 1.123 175.993 174.900 -0.049 0.000 1.451 187 G CA 0.045 45.149 45.100 0.006 0.000 1.059 187 G HN 0.276 nan 8.290 nan 0.000 0.550 188 S N -1.415 114.304 115.700 0.033 0.000 2.370 188 S HA -0.147 4.115 4.470 -0.348 0.000 0.226 188 S C 2.480 177.063 174.600 -0.029 0.000 1.033 188 S CA 2.394 60.605 58.200 0.019 0.000 1.011 188 S CB -0.597 62.676 63.200 0.122 0.000 0.852 188 S HN 0.565 nan 8.310 nan 0.000 0.457 189 T N 0.729 115.249 114.554 -0.056 0.000 2.701 189 T HA 0.011 4.152 4.350 -0.348 0.000 0.263 189 T C 1.926 176.458 174.700 -0.280 0.000 1.040 189 T CA 1.274 63.254 62.100 -0.201 0.000 1.147 189 T CB -1.095 67.579 68.868 -0.323 0.000 0.865 189 T HN 0.547 nan 8.240 nan 0.000 0.426 190 G N 1.141 109.801 108.800 -0.233 0.000 2.440 190 G HA2 -0.257 3.495 3.960 -0.348 0.000 0.218 190 G HA3 -0.257 3.495 3.960 -0.348 0.000 0.218 190 G C 1.530 176.309 174.900 -0.202 0.000 1.154 190 G CA 0.702 45.681 45.100 -0.203 0.000 0.767 190 G HN 0.492 nan 8.290 nan 0.000 0.552 191 Q N -0.355 119.247 119.800 -0.331 0.000 2.084 191 Q HA -0.127 4.004 4.340 -0.348 0.000 0.202 191 Q C 2.753 178.645 176.000 -0.179 0.000 0.978 191 Q CA 1.347 56.823 55.803 -0.545 0.000 0.844 191 Q CB -0.195 28.076 28.738 -0.778 0.000 0.898 191 Q HN 0.589 nan 8.270 nan 0.000 0.426 192 Q N -0.115 119.625 119.800 -0.100 0.000 2.016 192 Q HA -0.127 4.005 4.340 -0.348 0.000 0.200 192 Q C 2.258 178.288 176.000 0.051 0.000 0.978 192 Q CA 1.315 57.135 55.803 0.028 0.000 0.833 192 Q CB -0.125 28.725 28.738 0.187 0.000 0.895 192 Q HN 0.204 nan 8.270 nan 0.000 0.427 193 V N 0.795 120.710 119.914 0.001 0.000 2.515 193 V HA -0.211 3.700 4.120 -0.348 0.000 0.250 193 V C 1.970 178.051 176.094 -0.023 0.000 1.058 193 V CA 1.244 63.530 62.300 -0.023 0.000 1.064 193 V CB -0.225 31.498 31.823 -0.167 0.000 0.675 193 V HN 0.317 nan 8.190 nan 0.000 0.461 194 I N -0.246 120.314 120.570 -0.017 0.000 2.179 194 I HA -0.233 3.729 4.170 -0.348 0.000 0.242 194 I C 2.460 178.560 176.117 -0.029 0.000 1.088 194 I CA 2.137 63.433 61.300 -0.006 0.000 1.357 194 I CB -0.621 37.429 38.000 0.083 0.000 1.051 194 I HN 0.289 nan 8.210 nan 0.000 0.409 195 T N -0.767 113.795 114.554 0.013 0.000 2.821 195 T HA -0.168 3.974 4.350 -0.348 0.000 0.267 195 T C 2.094 176.774 174.700 -0.034 0.000 1.046 195 T CA 1.738 63.830 62.100 -0.013 0.000 1.139 195 T CB -0.157 68.721 68.868 0.016 0.000 0.871 195 T HN 0.263 nan 8.240 nan 0.000 0.454 196 S N 0.319 116.005 115.700 -0.023 0.000 2.395 196 S HA 0.017 4.278 4.470 -0.348 0.000 0.225 196 S C 1.891 176.475 174.600 -0.026 0.000 1.027 196 S CA 0.371 58.553 58.200 -0.029 0.000 0.965 196 S CB -0.299 62.880 63.200 -0.034 0.000 0.812 196 S HN 0.145 nan 8.310 nan 0.000 0.482 197 L N 1.959 123.170 121.223 -0.021 0.000 2.056 197 L HA 0.139 4.271 4.340 -0.348 0.000 0.207 197 L C 2.745 179.602 176.870 -0.021 0.000 1.078 197 L CA 1.791 56.632 54.840 0.001 0.000 0.749 197 L CB -1.639 40.434 42.059 0.023 0.000 0.901 197 L HN 0.355 nan 8.230 nan 0.000 0.433 198 A N 0.197 122.979 122.820 -0.063 0.000 1.917 198 A HA -0.162 3.949 4.320 -0.348 0.000 0.219 198 A C -0.116 177.428 177.584 -0.066 0.000 1.182 198 A CA 2.074 54.053 52.037 -0.096 0.000 0.633 198 A CB -1.902 17.003 19.000 -0.157 0.000 0.819 198 A HN 0.397 nan 8.150 nan 0.000 0.448 199 P HA -0.065 nan 4.420 nan 0.000 0.227 199 P C 1.090 178.383 177.300 -0.011 0.000 1.161 199 P CA 1.308 64.390 63.100 -0.031 0.000 0.788 199 P CB -0.052 31.631 31.700 -0.027 0.000 0.822 200 E N -1.256 118.944 120.200 -0.001 0.000 2.385 200 E HA 0.069 4.210 4.350 -0.348 0.000 0.194 200 E C 0.492 177.111 176.600 0.032 0.000 1.013 200 E CA 0.094 56.506 56.400 0.019 0.000 0.866 200 E CB -0.187 29.531 29.700 0.030 0.000 0.832 200 E HN -0.047 nan 8.360 nan 0.000 0.500 201 V N 1.600 121.530 119.914 0.027 0.000 2.837 201 V HA -0.003 3.909 4.120 -0.348 0.000 0.310 201 V C 1.306 177.428 176.094 0.047 0.000 1.059 201 V CA -0.117 62.211 62.300 0.046 0.000 1.004 201 V CB 1.682 33.533 31.823 0.047 0.000 1.045 201 V HN 0.343 nan 8.190 nan 0.000 0.465 202 E N 2.885 123.130 120.200 0.075 0.000 2.028 202 E HA -0.143 3.999 4.350 -0.348 0.000 0.191 202 E C 0.219 176.899 176.600 0.134 0.000 0.988 202 E CA 1.407 57.861 56.400 0.090 0.000 0.799 202 E CB 0.094 29.852 29.700 0.096 0.000 0.755 202 E HN 0.783 nan 8.360 nan 0.000 0.447 203 H N -1.504 117.582 119.070 0.027 0.000 2.974 203 H HA 0.432 4.780 4.556 -0.348 0.000 0.366 203 H C -2.101 173.234 175.328 0.012 0.000 1.155 203 H CA -0.918 55.139 56.048 0.015 0.000 1.186 203 H CB 1.551 31.329 29.762 0.028 0.000 1.799 203 H HN 0.100 nan 8.280 nan 0.000 0.541 204 L N 4.237 125.217 121.223 -0.405 0.000 2.342 204 L HA 0.484 4.616 4.340 -0.348 0.000 0.276 204 L C -0.940 175.732 176.870 -0.329 0.000 0.997 204 L CA -0.067 54.628 54.840 -0.242 0.000 0.838 204 L CB 1.537 43.464 42.059 -0.221 0.000 1.224 204 L HN 0.772 nan 8.230 nan 0.000 0.416 205 T N 4.571 119.047 114.554 -0.130 0.000 2.743 205 T HA 0.508 4.649 4.350 -0.348 0.000 0.292 205 T C -0.330 174.132 174.700 -0.396 0.000 0.972 205 T CA -0.336 61.610 62.100 -0.256 0.000 0.967 205 T CB 1.088 69.822 68.868 -0.223 0.000 0.926 205 T HN 0.295 nan 8.240 nan 0.000 0.459 206 V N 4.803 124.487 119.914 -0.382 0.000 2.350 206 V HA 0.366 4.278 4.120 -0.348 0.000 0.276 206 V C -0.444 175.388 176.094 -0.436 0.000 1.028 206 V CA -0.788 61.361 62.300 -0.252 0.000 0.860 206 V CB 0.238 32.081 31.823 0.033 0.000 0.990 206 V HN 0.799 nan 8.190 nan 0.000 0.453 207 F N 4.413 124.311 119.950 -0.087 0.000 2.406 207 F HA 0.387 4.705 4.527 -0.349 0.000 0.358 207 F C 0.299 176.052 175.800 -0.078 0.000 1.161 207 F CA -0.324 57.610 58.000 -0.111 0.000 1.185 207 F CB 1.181 40.082 39.000 -0.164 0.000 1.421 207 F HN 0.328 nan 8.300 nan 0.000 0.576 208 V N 5.508 125.449 119.914 0.045 0.000 2.407 208 V HA 0.411 4.323 4.120 -0.348 0.000 0.278 208 V C 0.681 176.791 176.094 0.028 0.000 1.037 208 V CA -0.197 62.123 62.300 0.034 0.000 0.900 208 V CB 1.549 33.381 31.823 0.015 0.000 0.983 208 V HN 0.874 nan 8.190 nan 0.000 0.459 209 R N 3.569 124.086 120.500 0.027 0.000 2.121 209 R HA 0.273 4.404 4.340 -0.348 0.000 0.206 209 R C 0.061 176.371 176.300 0.016 0.000 1.094 209 R CA 0.771 56.885 56.100 0.023 0.000 1.055 209 R CB 0.528 30.843 30.300 0.026 0.000 0.964 209 R HN 0.719 nan 8.270 nan 0.000 0.473 210 T N 3.396 117.963 114.554 0.021 0.000 2.934 210 T HA 0.380 4.522 4.350 -0.348 0.000 0.328 210 T C -2.716 171.991 174.700 0.011 0.000 1.068 210 T CA -1.470 60.641 62.100 0.017 0.000 1.018 210 T CB 1.887 70.778 68.868 0.039 0.000 1.009 210 T HN 0.051 nan 8.240 nan 0.000 0.471 211 P HA 0.178 nan 4.420 nan 0.000 0.268 211 P C -0.194 177.076 177.300 -0.050 0.000 1.204 211 P CA -0.188 62.901 63.100 -0.018 0.000 0.768 211 P CB 0.655 32.309 31.700 -0.076 0.000 0.842 212 Q N 1.271 121.080 119.800 0.015 0.000 2.378 212 Q HA 0.385 4.516 4.340 -0.348 0.000 0.276 212 Q C -0.761 175.256 176.000 0.028 0.000 1.083 212 Q CA -0.808 55.005 55.803 0.015 0.000 0.856 212 Q CB 1.221 30.016 28.738 0.095 0.000 1.383 212 Q HN 0.397 nan 8.270 nan 0.000 0.458 213 Y N 0.227 120.643 120.300 0.195 0.000 2.316 213 Y HA 0.340 4.681 4.550 -0.348 0.000 0.331 213 Y C 0.348 176.359 175.900 0.185 0.000 1.083 213 Y CA 0.082 58.275 58.100 0.154 0.000 1.206 213 Y CB 1.561 40.033 38.460 0.021 0.000 1.195 213 Y HN 0.339 nan 8.280 nan 0.000 0.497 214 S N 2.712 118.616 115.700 0.340 0.000 2.543 214 S HA 0.715 4.976 4.470 -0.348 0.000 0.271 214 S C -1.220 173.436 174.600 0.092 0.000 1.148 214 S CA -0.770 57.524 58.200 0.156 0.000 0.914 214 S CB 0.604 63.801 63.200 -0.005 0.000 1.096 214 S HN 0.593 nan 8.310 nan 0.000 0.471 215 V N 1.754 121.583 119.914 -0.142 0.000 3.019 215 V HA 0.840 4.751 4.120 -0.348 0.000 0.317 215 V C -2.904 172.863 176.094 -0.546 0.000 1.094 215 V CA -2.895 59.103 62.300 -0.505 0.000 1.000 215 V CB 0.983 32.500 31.823 -0.509 0.000 1.060 215 V HN 0.651 nan 8.190 nan 0.000 0.443 216 P HA 0.127 nan 4.420 nan 0.000 0.268 216 P C 0.657 177.749 177.300 -0.346 0.000 1.205 216 P CA 0.173 62.951 63.100 -0.536 0.000 0.771 216 P CB 1.085 32.409 31.700 -0.628 0.000 0.858 217 V N 3.289 123.024 119.914 -0.299 0.000 2.591 217 V HA 0.060 3.972 4.120 -0.348 0.000 0.249 217 V C 1.215 177.164 176.094 -0.241 0.000 1.053 217 V CA 1.866 63.948 62.300 -0.363 0.000 1.068 217 V CB -1.579 29.936 31.823 -0.513 0.000 0.689 217 V HN 0.929 nan 8.190 nan 0.000 0.462 218 G N 1.846 110.552 108.800 -0.157 0.000 2.351 218 G HA2 -0.314 3.438 3.960 -0.348 0.000 0.297 218 G HA3 -0.314 3.438 3.960 -0.348 0.000 0.297 218 G C -0.077 174.853 174.900 0.050 0.000 1.054 218 G CA 0.620 45.690 45.100 -0.051 0.000 1.123 218 G HN 0.794 nan 8.290 nan 0.000 0.512 219 N N 0.099 118.806 118.700 0.012 0.000 2.469 219 N HA 0.462 4.993 4.740 -0.348 0.000 0.239 219 N C 0.501 176.061 175.510 0.083 0.000 1.053 219 N CA -0.281 52.844 53.050 0.126 0.000 0.937 219 N CB 0.278 38.792 38.487 0.044 0.000 1.163 219 N HN 0.552 nan 8.380 nan 0.000 0.509 220 R N 2.962 123.520 120.500 0.096 0.000 2.778 220 R HA 0.528 4.660 4.340 -0.348 0.000 0.277 220 R C -2.241 174.094 176.300 0.058 0.000 0.977 220 R CA -2.087 54.042 56.100 0.049 0.000 0.950 220 R CB 1.430 31.741 30.300 0.018 0.000 1.165 220 R HN 0.474 nan 8.270 nan 0.000 0.474 221 P HA -0.021 nan 4.420 nan 0.000 0.268 221 P C -0.779 176.536 177.300 0.025 0.000 1.208 221 P CA 0.031 63.150 63.100 0.032 0.000 0.777 221 P CB 0.632 32.339 31.700 0.011 0.000 0.875 222 V N 2.997 122.922 119.914 0.018 0.000 2.444 222 V HA 0.265 4.177 4.120 -0.348 0.000 0.294 222 V C 0.701 176.749 176.094 -0.077 0.000 1.022 222 V CA -0.766 61.523 62.300 -0.019 0.000 0.850 222 V CB 1.078 32.906 31.823 0.008 0.000 0.992 222 V HN 0.633 nan 8.190 nan 0.000 0.426 223 N N 4.401 123.053 118.700 -0.079 0.000 2.476 223 N HA 0.403 4.935 4.740 -0.348 0.000 0.275 223 N C -2.233 173.201 175.510 -0.127 0.000 1.190 223 N CA -1.637 51.359 53.050 -0.090 0.000 0.977 223 N CB 1.727 40.176 38.487 -0.063 0.000 1.200 223 N HN 0.192 nan 8.380 nan 0.000 0.515 224 P HA -0.170 nan 4.420 nan 0.000 0.219 224 P C 1.140 178.367 177.300 -0.122 0.000 1.146 224 P CA 1.019 64.037 63.100 -0.137 0.000 0.808 224 P CB 0.121 31.759 31.700 -0.103 0.000 0.779 225 E N 0.236 120.380 120.200 -0.095 0.000 2.072 225 E HA -0.214 3.928 4.350 -0.348 0.000 0.191 225 E C 1.923 178.467 176.600 -0.094 0.000 0.985 225 E CA 1.477 57.828 56.400 -0.080 0.000 0.801 225 E CB -0.268 29.396 29.700 -0.060 0.000 0.750 225 E HN 0.270 nan 8.360 nan 0.000 0.452 226 Q N 0.110 119.848 119.800 -0.104 0.000 2.050 226 Q HA -0.067 4.064 4.340 -0.348 0.000 0.202 226 Q C 2.439 178.351 176.000 -0.147 0.000 0.980 226 Q CA 1.593 57.332 55.803 -0.107 0.000 0.840 226 Q CB -0.079 28.608 28.738 -0.084 0.000 0.898 226 Q HN 0.333 nan 8.270 nan 0.000 0.424 227 I N 0.317 120.750 120.570 -0.227 0.000 2.286 227 I HA -0.283 3.678 4.170 -0.348 0.000 0.248 227 I C 2.309 178.293 176.117 -0.222 0.000 1.115 227 I CA 0.874 61.971 61.300 -0.340 0.000 1.392 227 I CB -0.604 37.026 38.000 -0.618 0.000 1.065 227 I HN 0.224 nan 8.210 nan 0.000 0.418 228 A N 0.714 123.434 122.820 -0.166 0.000 1.851 228 A HA -0.271 3.840 4.320 -0.348 0.000 0.216 228 A C 2.230 179.759 177.584 -0.090 0.000 1.195 228 A CA 1.907 53.880 52.037 -0.107 0.000 0.622 228 A CB -0.788 18.163 19.000 -0.083 0.000 0.831 228 A HN 0.408 nan 8.150 nan 0.000 0.444 229 E N -0.608 119.535 120.200 -0.095 0.000 2.055 229 E HA -0.235 3.906 4.350 -0.348 0.000 0.209 229 E C 1.999 178.529 176.600 -0.118 0.000 1.036 229 E CA 1.624 57.971 56.400 -0.088 0.000 0.849 229 E CB -0.312 29.337 29.700 -0.086 0.000 0.767 229 E HN 0.544 nan 8.360 nan 0.000 0.461 230 I N 1.113 121.578 120.570 -0.174 0.000 2.113 230 I HA -0.327 3.635 4.170 -0.348 0.000 0.242 230 I C 2.265 178.177 176.117 -0.342 0.000 1.064 230 I CA 1.700 62.827 61.300 -0.289 0.000 1.320 230 I CB -0.915 36.895 38.000 -0.318 0.000 1.028 230 I HN 0.155 nan 8.210 nan 0.000 0.406 231 K N 0.533 120.817 120.400 -0.193 0.000 2.057 231 K HA -0.080 4.031 4.320 -0.348 0.000 0.206 231 K C 2.193 178.854 176.600 0.101 0.000 1.050 231 K CA 1.384 57.684 56.287 0.022 0.000 0.935 231 K CB -0.193 32.377 32.500 0.117 0.000 0.715 231 K HN 0.307 nan 8.250 nan 0.000 0.439 232 A N 1.334 124.170 122.820 0.027 0.000 1.972 232 A HA -0.183 3.928 4.320 -0.348 0.000 0.219 232 A C 1.451 179.069 177.584 0.056 0.000 1.169 232 A CA 1.813 53.876 52.037 0.042 0.000 0.635 232 A CB -0.178 18.828 19.000 0.010 0.000 0.810 232 A HN 0.218 nan 8.150 nan 0.000 0.446 233 D N -2.507 117.907 120.400 0.023 0.000 2.525 233 D HA 0.152 4.584 4.640 -0.348 0.000 0.229 233 D C 0.758 177.112 176.300 0.091 0.000 1.202 233 D CA -0.332 53.689 54.000 0.036 0.000 0.828 233 D CB -0.214 40.578 40.800 -0.013 0.000 1.008 233 D HN 0.331 nan 8.370 nan 0.000 0.493 234 Y N 0.671 121.017 120.300 0.076 0.000 2.263 234 Y HA -0.092 4.248 4.550 -0.349 0.000 0.292 234 Y C 1.639 177.643 175.900 0.174 0.000 1.130 234 Y CA 1.036 59.202 58.100 0.110 0.000 1.179 234 Y CB -0.061 38.508 38.460 0.182 0.000 0.998 234 Y HN 0.060 nan 8.280 nan 0.000 0.532 235 D N -0.514 120.090 120.400 0.340 0.000 2.106 235 D HA -0.203 4.228 4.640 -0.348 0.000 0.191 235 D C 2.329 178.762 176.300 0.222 0.000 0.997 235 D CA 1.493 55.648 54.000 0.260 0.000 0.834 235 D CB -0.297 40.603 40.800 0.168 0.000 0.956 235 D HN 0.207 nan 8.370 nan 0.000 0.448 236 R N -0.023 120.571 120.500 0.156 0.000 2.090 236 R HA 0.029 4.160 4.340 -0.348 0.000 0.228 236 R C 2.439 178.793 176.300 0.091 0.000 1.110 236 R CA 0.490 56.654 56.100 0.107 0.000 0.973 236 R CB -0.162 30.179 30.300 0.068 0.000 0.869 236 R HN 0.176 nan 8.270 nan 0.000 0.440 237 I N -0.987 119.626 120.570 0.071 0.000 2.286 237 I HA -0.295 3.666 4.170 -0.348 0.000 0.248 237 I C 1.602 177.690 176.117 -0.049 0.000 1.115 237 I CA 1.413 62.691 61.300 -0.037 0.000 1.392 237 I CB -0.206 37.718 38.000 -0.127 0.000 1.065 237 I HN 0.334 nan 8.210 nan 0.000 0.418 238 W N 0.867 122.232 121.300 0.109 0.000 2.476 238 W HA -0.104 4.346 4.660 -0.350 0.000 0.281 238 W C 2.618 179.151 176.519 0.023 0.000 1.230 238 W CA 0.560 57.937 57.345 0.054 0.000 1.287 238 W CB 0.009 29.498 29.460 0.048 0.000 1.108 238 W HN 0.101 nan 8.180 nan 0.000 0.567 239 E N 0.742 121.098 120.200 0.260 0.000 2.047 239 E HA -0.217 3.925 4.350 -0.348 0.000 0.191 239 E C 2.175 178.836 176.600 0.103 0.000 0.987 239 E CA 1.124 57.618 56.400 0.157 0.000 0.799 239 E CB -0.076 29.696 29.700 0.120 0.000 0.752 239 E HN 0.237 nan 8.360 nan 0.000 0.449 240 R N 0.045 120.588 120.500 0.070 0.000 2.094 240 R HA -0.181 3.951 4.340 -0.348 0.000 0.239 240 R C 2.449 178.750 176.300 0.003 0.000 1.137 240 R CA 1.362 57.476 56.100 0.023 0.000 0.943 240 R CB -0.424 29.872 30.300 -0.006 0.000 0.850 240 R HN 0.184 nan 8.270 nan 0.000 0.433 241 A N 1.469 124.290 122.820 0.001 0.000 1.883 241 A HA -0.204 3.908 4.320 -0.348 0.000 0.217 241 A C 1.913 179.523 177.584 0.043 0.000 1.186 241 A CA 1.589 53.612 52.037 -0.023 0.000 0.624 241 A CB -0.304 18.671 19.000 -0.042 0.000 0.822 241 A HN 0.236 nan 8.150 nan 0.000 0.444 242 K N -0.245 120.229 120.400 0.123 0.000 2.439 242 K HA 0.022 4.134 4.320 -0.348 0.000 0.197 242 K C 0.755 177.397 176.600 0.070 0.000 1.041 242 K CA 0.719 57.068 56.287 0.105 0.000 0.970 242 K CB -0.013 32.562 32.500 0.124 0.000 0.773 242 K HN 0.353 nan 8.250 nan 0.000 0.479 243 N N 0.916 119.648 118.700 0.054 0.000 2.251 243 N HA 0.007 4.539 4.740 -0.348 0.000 0.217 243 N C -0.223 175.300 175.510 0.021 0.000 1.124 243 N CA 0.093 53.168 53.050 0.042 0.000 0.843 243 N CB 0.687 39.199 38.487 0.041 0.000 1.024 243 N HN 0.150 nan 8.380 nan 0.000 0.501 244 S N -1.186 114.513 115.700 -0.001 0.000 2.768 244 S HA 0.699 4.960 4.470 -0.348 0.000 0.300 244 S C 1.135 175.722 174.600 -0.021 0.000 1.122 244 S CA -0.375 57.805 58.200 -0.033 0.000 0.995 244 S CB 1.800 64.940 63.200 -0.101 0.000 1.195 244 S HN -0.002 nan 8.310 nan 0.000 0.547 245 A N 0.015 122.807 122.820 -0.047 0.000 1.887 245 A HA 0.266 4.377 4.320 -0.348 0.000 0.212 245 A C 1.870 179.417 177.584 -0.063 0.000 1.198 245 A CA 1.239 53.253 52.037 -0.038 0.000 0.628 245 A CB -1.014 17.944 19.000 -0.069 0.000 0.847 245 A HN 1.530 nan 8.150 nan 0.000 0.449 246 V N -5.466 114.384 119.914 -0.107 0.000 3.556 246 V HA 0.627 4.538 4.120 -0.348 0.000 0.287 246 V C 1.128 177.078 176.094 -0.240 0.000 1.422 246 V CA 0.519 62.761 62.300 -0.097 0.000 1.038 246 V CB -0.667 31.195 31.823 0.064 0.000 0.850 246 V HN 1.753 nan 8.190 nan 0.000 0.437 247 A N 0.235 122.903 122.820 -0.253 0.000 2.791 247 A HA -0.256 3.856 4.320 -0.348 0.000 0.292 247 A C 0.539 177.824 177.584 -0.498 0.000 1.487 247 A CA 1.709 53.553 52.037 -0.322 0.000 0.760 247 A CB -2.759 16.104 19.000 -0.229 0.000 1.031 247 A HN 0.774 nan 8.150 nan 0.000 0.503 248 F N -0.754 118.956 119.950 -0.400 0.000 2.727 248 F HA 0.410 4.727 4.527 -0.349 0.000 0.302 248 F C 1.933 177.576 175.800 -0.263 0.000 1.097 248 F CA 1.194 59.021 58.000 -0.289 0.000 1.330 248 F CB 0.606 39.571 39.000 -0.057 0.000 1.084 248 F HN 1.106 nan 8.300 nan 0.000 0.578 249 G N 0.671 109.317 108.800 -0.256 0.000 2.131 249 G HA2 -0.283 3.468 3.960 -0.348 0.000 0.223 249 G HA3 -0.283 3.468 3.960 -0.348 0.000 0.223 249 G C 0.037 174.933 174.900 -0.007 0.000 0.990 249 G CA 0.057 45.065 45.100 -0.154 0.000 0.671 249 G HN 0.326 nan 8.290 nan 0.000 0.521 250 F N 0.206 120.195 119.950 0.065 0.000 2.523 250 F HA 0.811 5.129 4.527 -0.349 0.000 0.329 250 F C 0.251 176.075 175.800 0.040 0.000 1.061 250 F CA -1.824 56.199 58.000 0.038 0.000 0.967 250 F CB 0.850 39.870 39.000 0.034 0.000 1.218 250 F HN 0.314 nan 8.300 nan 0.000 0.480 251 E N 0.402 120.729 120.200 0.210 0.000 2.316 251 E HA 0.204 4.346 4.350 -0.348 0.000 0.275 251 E C -1.185 175.574 176.600 0.264 0.000 1.029 251 E CA -0.527 55.948 56.400 0.125 0.000 0.871 251 E CB 0.788 30.534 29.700 0.078 0.000 1.022 251 E HN 0.728 nan 8.360 nan 0.000 0.418 252 E N 2.273 122.571 120.200 0.163 0.000 2.259 252 E HA 0.103 4.245 4.350 -0.348 0.000 0.281 252 E C -0.637 176.071 176.600 0.181 0.000 1.037 252 E CA -0.325 56.229 56.400 0.256 0.000 0.854 252 E CB 1.443 31.231 29.700 0.147 0.000 1.051 252 E HN 0.476 nan 8.360 nan 0.000 0.409 253 S N 1.374 117.188 115.700 0.191 0.000 2.580 253 S HA 0.101 4.362 4.470 -0.348 0.000 0.274 253 S C 0.927 175.595 174.600 0.113 0.000 1.329 253 S CA -0.270 57.988 58.200 0.097 0.000 1.036 253 S CB 0.618 63.824 63.200 0.010 0.000 0.919 253 S HN 0.658 nan 8.310 nan 0.000 0.515 254 T N 2.280 116.883 114.554 0.081 0.000 3.010 254 T HA 0.231 4.373 4.350 -0.348 0.000 0.257 254 T C 0.400 175.154 174.700 0.090 0.000 1.020 254 T CA -0.323 61.828 62.100 0.084 0.000 0.938 254 T CB -0.186 68.719 68.868 0.061 0.000 1.049 254 T HN 0.390 nan 8.240 nan 0.000 0.522 255 L N 4.100 125.384 121.223 0.102 0.000 2.433 255 L HA 0.378 4.509 4.340 -0.348 0.000 0.275 255 L C -2.648 174.350 176.870 0.214 0.000 1.128 255 L CA -2.002 52.922 54.840 0.140 0.000 0.875 255 L CB 0.248 42.389 42.059 0.138 0.000 1.171 255 L HN -0.095 nan 8.230 nan 0.000 0.463 256 P HA 0.058 nan 4.420 nan 0.000 0.268 256 P C -0.145 177.073 177.300 -0.137 0.000 1.205 256 P CA 0.110 63.215 63.100 0.009 0.000 0.771 256 P CB 0.929 32.616 31.700 -0.021 0.000 0.858 257 A N 3.379 125.969 122.820 -0.384 0.000 1.930 257 A HA -0.127 3.985 4.320 -0.348 0.000 0.217 257 A C 1.564 178.788 177.584 -0.600 0.000 1.175 257 A CA 1.559 52.990 52.037 -1.010 0.000 0.627 257 A CB -0.893 17.580 19.000 -0.879 0.000 0.815 257 A HN 0.433 nan 8.150 nan 0.000 0.443 258 M N -0.429 118.988 119.600 -0.306 0.000 2.502 258 M HA 0.175 4.447 4.480 -0.348 0.000 0.243 258 M C 1.716 177.937 176.300 -0.131 0.000 1.130 258 M CA 0.520 55.704 55.300 -0.192 0.000 1.055 258 M CB -1.137 31.385 32.600 -0.131 0.000 1.457 258 M HN 0.262 nan 8.290 nan 0.000 0.488 259 S N 0.224 115.853 115.700 -0.119 0.000 2.447 259 S HA 0.020 4.282 4.470 -0.348 0.000 0.233 259 S C 1.044 175.615 174.600 -0.049 0.000 1.006 259 S CA 0.299 58.461 58.200 -0.063 0.000 0.957 259 S CB 0.166 63.346 63.200 -0.033 0.000 0.773 259 S HN 0.314 nan 8.310 nan 0.000 0.507 260 V N 0.172 120.043 119.914 -0.072 0.000 3.302 260 V HA 0.518 4.429 4.120 -0.348 0.000 0.316 260 V C 0.276 176.345 176.094 -0.040 0.000 1.111 260 V CA -0.777 61.506 62.300 -0.029 0.000 1.029 260 V CB 1.898 33.743 31.823 0.038 0.000 1.170 260 V HN 0.221 nan 8.190 nan 0.000 0.452 261 S N 0.714 116.406 115.700 -0.014 0.000 2.576 261 S HA 0.120 4.382 4.470 -0.348 0.000 0.276 261 S C 1.068 175.662 174.600 -0.011 0.000 1.339 261 S CA -0.077 58.117 58.200 -0.011 0.000 1.039 261 S CB 0.676 63.877 63.200 0.001 0.000 0.902 261 S HN 0.801 nan 8.310 nan 0.000 0.516 262 E N 2.663 122.859 120.200 -0.006 0.000 2.118 262 E HA -0.174 3.968 4.350 -0.348 0.000 0.195 262 E C 1.555 178.176 176.600 0.036 0.000 0.992 262 E CA 1.604 58.009 56.400 0.009 0.000 0.804 262 E CB -0.043 29.663 29.700 0.010 0.000 0.741 262 E HN 0.681 nan 8.360 nan 0.000 0.458 263 E N 0.564 120.782 120.200 0.031 0.000 2.076 263 E HA -0.079 4.062 4.350 -0.348 0.000 0.190 263 E C 1.945 178.573 176.600 0.047 0.000 0.979 263 E CA 0.617 57.043 56.400 0.044 0.000 0.807 263 E CB -0.070 29.648 29.700 0.031 0.000 0.761 263 E HN 0.239 nan 8.360 nan 0.000 0.454 264 E N 0.438 120.656 120.200 0.030 0.000 2.072 264 E HA -0.174 3.968 4.350 -0.348 0.000 0.191 264 E C 2.146 178.757 176.600 0.017 0.000 0.985 264 E CA 0.522 56.934 56.400 0.020 0.000 0.801 264 E CB 0.041 29.750 29.700 0.015 0.000 0.750 264 E HN 0.054 nan 8.360 nan 0.000 0.452 265 R N 0.962 121.486 120.500 0.041 0.000 2.113 265 R HA -0.254 3.877 4.340 -0.348 0.000 0.244 265 R C 2.088 178.370 176.300 -0.029 0.000 1.142 265 R CA 2.190 58.301 56.100 0.017 0.000 0.953 265 R CB -0.361 29.899 30.300 -0.066 0.000 0.860 265 R HN 0.078 nan 8.270 nan 0.000 0.438 266 N N 0.032 118.812 118.700 0.133 0.000 2.069 266 N HA -0.209 4.322 4.740 -0.348 0.000 0.191 266 N C 2.017 177.638 175.510 0.184 0.000 1.031 266 N CA 1.422 54.634 53.050 0.270 0.000 0.852 266 N CB -0.120 38.519 38.487 0.253 0.000 1.018 266 N HN 0.106 nan 8.380 nan 0.000 0.423 267 R N 0.437 120.990 120.500 0.089 0.000 2.092 267 R HA -0.047 4.084 4.340 -0.348 0.000 0.231 267 R C 1.800 178.095 176.300 -0.007 0.000 1.119 267 R CA 0.824 56.961 56.100 0.062 0.000 0.970 267 R CB -0.395 29.927 30.300 0.037 0.000 0.864 267 R HN 0.368 nan 8.270 nan 0.000 0.440 268 I N 0.242 120.733 120.570 -0.132 0.000 2.163 268 I HA -0.264 3.698 4.170 -0.348 0.000 0.240 268 I C 2.248 178.198 176.117 -0.278 0.000 1.081 268 I CA 1.296 62.416 61.300 -0.299 0.000 1.353 268 I CB -1.181 36.463 38.000 -0.593 0.000 1.054 268 I HN 0.091 nan 8.210 nan 0.000 0.407 269 F N 0.886 120.659 119.950 -0.296 0.000 2.126 269 F HA -0.310 4.009 4.527 -0.348 0.000 0.299 269 F C 2.846 178.532 175.800 -0.190 0.000 1.096 269 F CA 1.275 58.965 58.000 -0.517 0.000 1.255 269 F CB -0.344 37.857 39.000 -1.331 0.000 0.997 269 F HN 0.131 nan 8.300 nan 0.000 0.479 270 Q N 0.938 120.831 119.800 0.156 0.000 2.084 270 Q HA -0.195 3.936 4.340 -0.348 0.000 0.202 270 Q C 1.780 177.993 176.000 0.355 0.000 0.978 270 Q CA 1.792 57.840 55.803 0.408 0.000 0.844 270 Q CB -0.274 28.669 28.738 0.341 0.000 0.898 270 Q HN 0.425 nan 8.270 nan 0.000 0.426 271 E N -0.682 119.641 120.200 0.206 0.000 2.150 271 E HA -0.112 4.030 4.350 -0.348 0.000 0.193 271 E C 1.813 178.541 176.600 0.214 0.000 0.985 271 E CA 0.745 57.251 56.400 0.177 0.000 0.814 271 E CB -0.150 29.601 29.700 0.085 0.000 0.752 271 E HN 0.471 nan 8.360 nan 0.000 0.466 272 A N 1.736 124.678 122.820 0.203 0.000 1.873 272 A HA -0.188 3.924 4.320 -0.348 0.000 0.215 272 A C 1.926 179.758 177.584 0.415 0.000 1.186 272 A CA 0.976 53.166 52.037 0.256 0.000 0.616 272 A CB -1.013 18.125 19.000 0.229 0.000 0.823 272 A HN 0.551 nan 8.150 nan 0.000 0.442 273 W N 1.301 122.793 121.300 0.320 0.000 2.318 273 W HA -0.206 4.247 4.660 -0.345 0.000 0.313 273 W C 0.996 177.619 176.519 0.173 0.000 1.221 273 W CA 2.284 59.763 57.345 0.224 0.000 1.266 273 W CB -0.301 29.357 29.460 0.330 0.000 1.150 273 W HN 0.421 nan 8.180 nan 0.000 0.496 274 D N -1.728 118.902 120.400 0.384 0.000 2.183 274 D HA -0.146 4.286 4.640 -0.348 0.000 0.203 274 D C 1.776 178.158 176.300 0.136 0.000 0.969 274 D CA 1.530 55.668 54.000 0.230 0.000 0.842 274 D CB -0.573 40.380 40.800 0.254 0.000 0.957 274 D HN 0.413 nan 8.370 nan 0.000 0.484 275 H N 0.096 119.222 119.070 0.093 0.000 2.363 275 H HA 0.119 4.466 4.556 -0.348 0.000 0.301 275 H C 0.819 176.174 175.328 0.045 0.000 1.074 275 H CA 1.465 57.555 56.048 0.069 0.000 1.354 275 H CB 0.158 29.966 29.762 0.076 0.000 1.397 275 H HN 0.184 nan 8.280 nan 0.000 0.516 276 G N -1.751 107.173 108.800 0.207 0.000 2.662 276 G HA2 0.332 4.084 3.960 -0.348 0.000 0.686 276 G HA3 0.332 4.084 3.960 -0.348 0.000 0.686 276 G C -0.120 174.896 174.900 0.194 0.000 1.271 276 G CA -0.353 44.793 45.100 0.076 0.000 0.816 276 G HN 1.237 nan 8.290 nan 0.000 0.608 277 G N -1.248 107.598 108.800 0.076 0.000 3.438 277 G HA2 0.510 4.262 3.960 -0.348 0.000 0.684 277 G HA3 0.510 4.262 3.960 -0.348 0.000 0.684 277 G C 1.181 176.131 174.900 0.082 0.000 1.192 277 G CA 0.798 45.988 45.100 0.150 0.000 1.013 277 G HN 2.279 nan 8.290 nan 0.000 0.530 278 G N 0.703 109.543 108.800 0.066 0.000 2.404 278 G HA2 0.059 3.810 3.960 -0.348 0.000 0.215 278 G HA3 0.059 3.810 3.960 -0.348 0.000 0.215 278 G C 1.555 176.465 174.900 0.016 0.000 1.174 278 G CA 1.583 46.709 45.100 0.044 0.000 0.780 278 G HN 0.583 nan 8.290 nan 0.000 0.537 279 F N 0.733 120.636 119.950 -0.079 0.000 2.186 279 F HA 0.058 4.376 4.527 -0.349 0.000 0.299 279 F C 2.760 178.520 175.800 -0.068 0.000 1.090 279 F CA 1.412 59.412 58.000 -0.001 0.000 1.307 279 F CB -0.060 38.724 39.000 -0.361 0.000 1.019 279 F HN 0.014 nan 8.300 nan 0.000 0.489 280 R N -0.135 120.171 120.500 -0.322 0.000 2.091 280 R HA -0.241 3.890 4.340 -0.348 0.000 0.238 280 R C 2.294 178.346 176.300 -0.414 0.000 1.136 280 R CA 1.780 57.237 56.100 -1.071 0.000 0.959 280 R CB -0.845 28.984 30.300 -0.785 0.000 0.856 280 R HN 0.297 nan 8.270 nan 0.000 0.437 281 F N 0.975 120.799 119.950 -0.210 0.000 2.171 281 F HA -0.169 4.149 4.527 -0.347 0.000 0.300 281 F C 2.355 178.152 175.800 -0.005 0.000 1.090 281 F CA 1.836 59.814 58.000 -0.036 0.000 1.293 281 F CB -0.090 38.958 39.000 0.079 0.000 1.013 281 F HN 0.032 nan 8.300 nan 0.000 0.486 282 M N -2.040 117.531 119.600 -0.048 0.000 2.334 282 M HA -0.059 4.212 4.480 -0.348 0.000 0.266 282 M C 0.885 176.853 176.300 -0.552 0.000 1.082 282 M CA 1.706 56.768 55.300 -0.396 0.000 1.141 282 M CB -0.010 32.102 32.600 -0.813 0.000 1.380 282 M HN 0.191 nan 8.290 nan 0.000 0.440 283 F N -2.440 117.540 119.950 0.050 0.000 2.819 283 F HA 0.344 4.662 4.527 -0.349 0.000 0.325 283 F C 1.830 177.719 175.800 0.148 0.000 1.041 283 F CA -0.100 58.007 58.000 0.178 0.000 1.184 283 F CB 0.290 39.544 39.000 0.423 0.000 1.019 283 F HN 0.091 nan 8.300 nan 0.000 0.590 284 G N -0.683 108.101 108.800 -0.026 0.000 3.371 284 G HA2 0.141 3.892 3.960 -0.348 0.000 0.248 284 G HA3 0.141 3.892 3.960 -0.348 0.000 0.248 284 G C 1.005 175.760 174.900 -0.241 0.000 1.161 284 G CA 0.744 45.778 45.100 -0.110 0.000 0.796 284 G HN 0.186 nan 8.290 nan 0.000 0.539 285 T N -0.476 113.903 114.554 -0.291 0.000 3.182 285 T HA 0.485 4.626 4.350 -0.348 0.000 0.244 285 T C -0.426 173.727 174.700 -0.912 0.000 0.981 285 T CA 0.361 62.100 62.100 -0.601 0.000 1.182 285 T CB 0.215 68.772 68.868 -0.519 0.000 1.043 285 T HN 0.010 nan 8.240 nan 0.000 0.424 286 F N -1.158 118.702 119.950 -0.150 0.000 2.662 286 F HA 0.583 4.901 4.527 -0.348 0.000 0.312 286 F C 0.996 176.797 175.800 0.002 0.000 1.113 286 F CA -1.028 56.911 58.000 -0.100 0.000 0.951 286 F CB 1.204 40.114 39.000 -0.149 0.000 1.344 286 F HN 0.039 nan 8.300 nan 0.000 0.462 287 G N -0.439 108.499 108.800 0.229 0.000 3.233 287 G HA2 0.136 3.888 3.960 -0.348 0.000 0.227 287 G HA3 0.136 3.888 3.960 -0.348 0.000 0.227 287 G C 0.031 175.025 174.900 0.157 0.000 1.175 287 G CA 0.465 45.679 45.100 0.190 0.000 0.781 287 G HN 0.611 nan 8.290 nan 0.000 0.542 288 D N -0.532 119.940 120.400 0.122 0.000 2.563 288 D HA 0.024 4.455 4.640 -0.348 0.000 0.256 288 D C 1.620 177.914 176.300 -0.009 0.000 1.400 288 D CA -0.423 53.605 54.000 0.048 0.000 0.800 288 D CB -0.357 40.450 40.800 0.012 0.000 1.145 288 D HN 0.122 nan 8.370 nan 0.000 0.501 289 I N 1.551 122.118 120.570 -0.005 0.000 2.335 289 I HA -0.123 3.838 4.170 -0.348 0.000 0.251 289 I C 2.232 178.224 176.117 -0.209 0.000 1.129 289 I CA 1.383 62.633 61.300 -0.082 0.000 1.402 289 I CB -1.212 36.735 38.000 -0.089 0.000 1.069 289 I HN 0.196 nan 8.210 nan 0.000 0.424 290 A N -1.179 121.518 122.820 -0.206 0.000 2.218 290 A HA 0.031 4.143 4.320 -0.348 0.000 0.209 290 A C 2.215 179.663 177.584 -0.227 0.000 1.168 290 A CA 1.182 53.025 52.037 -0.323 0.000 0.804 290 A CB -0.283 18.641 19.000 -0.126 0.000 0.834 290 A HN 0.365 nan 8.150 nan 0.000 0.482 291 T N -1.451 113.033 114.554 -0.116 0.000 2.969 291 T HA 0.117 4.258 4.350 -0.348 0.000 0.258 291 T C -0.462 174.189 174.700 -0.080 0.000 0.962 291 T CA 0.069 62.121 62.100 -0.080 0.000 0.903 291 T CB 0.029 68.887 68.868 -0.017 0.000 1.177 291 T HN 0.418 nan 8.240 nan 0.000 0.511 292 D N 0.916 121.266 120.400 -0.084 0.000 2.593 292 D HA 0.243 4.675 4.640 -0.348 0.000 0.251 292 D C 0.430 176.678 176.300 -0.087 0.000 1.140 292 D CA -0.140 53.814 54.000 -0.076 0.000 0.855 292 D CB 2.133 42.895 40.800 -0.064 0.000 1.267 292 D HN 0.097 nan 8.370 nan 0.000 0.532 293 E N 1.977 122.128 120.200 -0.083 0.000 2.118 293 E HA -0.181 3.961 4.350 -0.348 0.000 0.195 293 E C 1.830 178.389 176.600 -0.068 0.000 0.992 293 E CA 1.616 57.969 56.400 -0.079 0.000 0.804 293 E CB 0.178 29.837 29.700 -0.069 0.000 0.741 293 E HN 0.585 nan 8.360 nan 0.000 0.458 294 A N 1.169 123.950 122.820 -0.065 0.000 1.873 294 A HA -0.057 4.054 4.320 -0.348 0.000 0.215 294 A C 2.394 179.937 177.584 -0.069 0.000 1.186 294 A CA 1.552 53.552 52.037 -0.062 0.000 0.616 294 A CB -0.811 18.151 19.000 -0.063 0.000 0.823 294 A HN 0.296 nan 8.150 nan 0.000 0.442 295 A N 0.296 123.066 122.820 -0.084 0.000 1.892 295 A HA -0.269 3.843 4.320 -0.348 0.000 0.218 295 A C 2.093 179.652 177.584 -0.041 0.000 1.188 295 A CA 1.918 53.899 52.037 -0.092 0.000 0.631 295 A CB -0.832 18.105 19.000 -0.105 0.000 0.822 295 A HN 0.656 nan 8.150 nan 0.000 0.447 296 N N -0.607 118.060 118.700 -0.056 0.000 2.166 296 N HA -0.213 4.319 4.740 -0.348 0.000 0.186 296 N C 1.806 177.292 175.510 -0.039 0.000 1.019 296 N CA 1.728 54.753 53.050 -0.043 0.000 0.856 296 N CB -0.101 38.326 38.487 -0.100 0.000 0.993 296 N HN 0.490 nan 8.380 nan 0.000 0.426 297 E N 0.987 121.156 120.200 -0.052 0.000 2.106 297 E HA -0.011 4.130 4.350 -0.348 0.000 0.192 297 E C 1.780 178.346 176.600 -0.056 0.000 0.984 297 E CA 1.302 57.670 56.400 -0.052 0.000 0.806 297 E CB -0.456 29.220 29.700 -0.040 0.000 0.750 297 E HN 0.381 nan 8.360 nan 0.000 0.458 298 A N 1.019 123.819 122.820 -0.034 0.000 1.883 298 A HA -0.095 4.017 4.320 -0.348 0.000 0.217 298 A C 2.488 179.993 177.584 -0.132 0.000 1.186 298 A CA 2.443 54.482 52.037 0.003 0.000 0.624 298 A CB -1.209 17.840 19.000 0.080 0.000 0.822 298 A HN 0.388 nan 8.150 nan 0.000 0.444 299 A N -0.155 122.538 122.820 -0.210 0.000 1.865 299 A HA 0.097 4.208 4.320 -0.348 0.000 0.217 299 A C 2.563 179.911 177.584 -0.394 0.000 1.191 299 A CA 2.525 54.253 52.037 -0.515 0.000 0.623 299 A CB -1.214 17.711 19.000 -0.124 0.000 0.826 299 A HN 1.156 nan 8.150 nan 0.000 0.444 300 A N -0.636 121.975 122.820 -0.348 0.000 1.883 300 A HA -0.154 3.957 4.320 -0.348 0.000 0.217 300 A C 2.534 180.036 177.584 -0.137 0.000 1.186 300 A CA 2.491 54.250 52.037 -0.463 0.000 0.624 300 A CB -1.172 17.611 19.000 -0.362 0.000 0.822 300 A HN 0.765 nan 8.150 nan 0.000 0.444 301 S N -1.456 114.189 115.700 -0.092 0.000 2.370 301 S HA -0.224 4.038 4.470 -0.348 0.000 0.226 301 S C 1.814 176.362 174.600 -0.087 0.000 1.033 301 S CA 1.807 59.972 58.200 -0.059 0.000 1.011 301 S CB -0.605 62.572 63.200 -0.039 0.000 0.852 301 S HN 0.573 nan 8.310 nan 0.000 0.457 302 F N 1.730 121.529 119.950 -0.252 0.000 2.126 302 F HA -0.050 4.268 4.527 -0.348 0.000 0.299 302 F C 1.888 177.492 175.800 -0.327 0.000 1.096 302 F CA 1.869 59.702 58.000 -0.279 0.000 1.255 302 F CB -0.290 38.480 39.000 -0.384 0.000 0.997 302 F HN 0.253 nan 8.300 nan 0.000 0.479 303 I N -0.099 120.399 120.570 -0.120 0.000 2.202 303 I HA -0.269 3.692 4.170 -0.348 0.000 0.242 303 I C 2.515 178.482 176.117 -0.251 0.000 1.091 303 I CA 1.116 62.311 61.300 -0.174 0.000 1.368 303 I CB -0.593 37.384 38.000 -0.038 0.000 1.058 303 I HN 0.039 nan 8.210 nan 0.000 0.410 304 R N 0.972 121.375 120.500 -0.161 0.000 2.119 304 R HA -0.231 3.900 4.340 -0.348 0.000 0.246 304 R C 2.374 178.499 176.300 -0.292 0.000 1.146 304 R CA 1.844 57.820 56.100 -0.207 0.000 0.962 304 R CB -0.629 29.602 30.300 -0.115 0.000 0.863 304 R HN 0.418 nan 8.270 nan 0.000 0.442 305 A N 1.158 123.776 122.820 -0.337 0.000 1.969 305 A HA -0.113 3.999 4.320 -0.348 0.000 0.218 305 A C 1.906 179.234 177.584 -0.426 0.000 1.169 305 A CA 1.045 52.866 52.037 -0.360 0.000 0.635 305 A CB -0.107 18.666 19.000 -0.379 0.000 0.810 305 A HN 0.063 nan 8.150 nan 0.000 0.445 306 K N -0.071 119.990 120.400 -0.565 0.000 2.057 306 K HA -0.055 4.057 4.320 -0.348 0.000 0.206 306 K C 1.986 178.378 176.600 -0.347 0.000 1.050 306 K CA 1.317 57.284 56.287 -0.533 0.000 0.935 306 K CB -0.892 31.119 32.500 -0.815 0.000 0.715 306 K HN 0.356 nan 8.250 nan 0.000 0.439 307 V N 1.657 121.312 119.914 -0.431 0.000 2.343 307 V HA -0.233 3.678 4.120 -0.348 0.000 0.247 307 V C 2.460 178.352 176.094 -0.336 0.000 1.051 307 V CA 2.034 64.010 62.300 -0.539 0.000 1.036 307 V CB -0.831 30.547 31.823 -0.742 0.000 0.654 307 V HN 0.285 nan 8.190 nan 0.000 0.451 308 A N -0.496 122.154 122.820 -0.283 0.000 2.015 308 A HA -0.214 3.898 4.320 -0.348 0.000 0.219 308 A C 2.320 179.801 177.584 -0.170 0.000 1.163 308 A CA 1.628 53.540 52.037 -0.207 0.000 0.646 308 A CB -0.411 18.477 19.000 -0.188 0.000 0.806 308 A HN 0.646 nan 8.150 nan 0.000 0.448 309 E N -0.063 120.024 120.200 -0.188 0.000 2.107 309 E HA -0.124 4.018 4.350 -0.348 0.000 0.191 309 E C 1.758 178.301 176.600 -0.095 0.000 0.982 309 E CA 1.052 57.366 56.400 -0.143 0.000 0.809 309 E CB -0.149 29.447 29.700 -0.173 0.000 0.756 309 E HN 0.657 nan 8.360 nan 0.000 0.459 310 I N 1.045 121.561 120.570 -0.090 0.000 2.206 310 I HA -0.093 3.868 4.170 -0.348 0.000 0.239 310 I C 1.102 177.204 176.117 -0.026 0.000 1.078 310 I CA 0.502 61.788 61.300 -0.023 0.000 1.367 310 I CB 0.124 38.155 38.000 0.053 0.000 1.078 310 I HN 0.009 nan 8.210 nan 0.000 0.413 311 I N 1.472 122.006 120.570 -0.059 0.000 2.379 311 I HA -0.001 3.960 4.170 -0.348 0.000 0.290 311 I C 1.066 177.150 176.117 -0.055 0.000 1.063 311 I CA 0.175 61.447 61.300 -0.046 0.000 1.351 311 I CB 0.917 38.869 38.000 -0.079 0.000 1.410 311 I HN 0.175 nan 8.210 nan 0.000 0.505 312 E N 3.301 123.481 120.200 -0.033 0.000 2.006 312 E HA -0.168 3.973 4.350 -0.348 0.000 0.192 312 E C 0.359 176.935 176.600 -0.039 0.000 0.993 312 E CA 0.956 57.335 56.400 -0.035 0.000 0.808 312 E CB 0.067 29.753 29.700 -0.022 0.000 0.764 312 E HN 0.623 nan 8.360 nan 0.000 0.449 313 D N 0.418 120.799 120.400 -0.032 0.000 2.434 313 D HA -0.031 4.401 4.640 -0.348 0.000 0.252 313 D C -1.825 174.445 176.300 -0.050 0.000 1.185 313 D CA -1.222 52.758 54.000 -0.034 0.000 0.886 313 D CB 1.052 41.838 40.800 -0.023 0.000 1.148 313 D HN -0.164 nan 8.370 nan 0.000 0.483 314 P HA -0.192 nan 4.420 nan 0.000 0.216 314 P C 0.954 178.215 177.300 -0.065 0.000 1.150 314 P CA 0.978 64.043 63.100 -0.059 0.000 0.843 314 P CB 0.241 31.912 31.700 -0.049 0.000 0.787 315 E N -0.721 119.447 120.200 -0.054 0.000 2.046 315 E HA -0.118 4.023 4.350 -0.348 0.000 0.190 315 E C 1.835 178.390 176.600 -0.074 0.000 0.982 315 E CA 1.888 58.255 56.400 -0.055 0.000 0.800 315 E CB -1.349 28.329 29.700 -0.037 0.000 0.756 315 E HN 0.084 nan 8.360 nan 0.000 0.449 316 T N 0.618 115.128 114.554 -0.073 0.000 2.720 316 T HA -0.161 3.981 4.350 -0.348 0.000 0.268 316 T C 1.869 176.474 174.700 -0.159 0.000 1.037 316 T CA 1.633 63.670 62.100 -0.105 0.000 1.144 316 T CB -0.614 68.218 68.868 -0.060 0.000 0.864 316 T HN 0.343 nan 8.240 nan 0.000 0.444 317 A N 1.677 124.417 122.820 -0.133 0.000 1.908 317 A HA -0.134 3.978 4.320 -0.348 0.000 0.218 317 A C 2.332 179.818 177.584 -0.163 0.000 1.181 317 A CA 1.804 53.745 52.037 -0.159 0.000 0.627 317 A CB -0.640 18.279 19.000 -0.134 0.000 0.818 317 A HN 0.416 nan 8.150 nan 0.000 0.445 318 R N -0.098 120.325 120.500 -0.128 0.000 2.081 318 R HA -0.136 3.995 4.340 -0.348 0.000 0.235 318 R C 2.017 178.244 176.300 -0.122 0.000 1.131 318 R CA 1.830 57.862 56.100 -0.114 0.000 0.960 318 R CB -0.228 30.021 30.300 -0.085 0.000 0.856 318 R HN 0.520 nan 8.270 nan 0.000 0.436 319 K N -0.138 120.184 120.400 -0.131 0.000 2.211 319 K HA -0.095 4.016 4.320 -0.348 0.000 0.203 319 K C 1.622 178.117 176.600 -0.175 0.000 1.050 319 K CA 0.922 57.128 56.287 -0.136 0.000 0.945 319 K CB 0.113 32.530 32.500 -0.137 0.000 0.732 319 K HN 0.209 nan 8.250 nan 0.000 0.451 320 L N 0.350 121.436 121.223 -0.227 0.000 2.693 320 L HA 0.209 4.340 4.340 -0.348 0.000 0.235 320 L C 0.608 177.357 176.870 -0.201 0.000 1.127 320 L CA -0.283 54.410 54.840 -0.245 0.000 0.914 320 L CB 0.333 42.146 42.059 -0.410 0.000 1.193 320 L HN 0.164 nan 8.230 nan 0.000 0.502 321 M N 3.555 123.031 119.600 -0.207 0.000 2.356 321 M HA 0.155 4.427 4.480 -0.348 0.000 0.348 321 M C -2.180 173.977 176.300 -0.238 0.000 1.595 321 M CA -1.351 53.812 55.300 -0.227 0.000 1.095 321 M CB 0.533 33.025 32.600 -0.181 0.000 1.963 321 M HN -0.201 nan 8.290 nan 0.000 0.459 322 P HA 0.251 nan 4.420 nan 0.000 0.276 322 P C -1.341 175.703 177.300 -0.426 0.000 1.230 322 P CA -0.122 62.649 63.100 -0.549 0.000 0.776 322 P CB 1.023 32.041 31.700 -1.136 0.000 0.888 323 K N 1.339 121.603 120.400 -0.226 0.000 2.443 323 K HA 0.620 4.731 4.320 -0.348 0.000 0.251 323 K C 0.122 176.805 176.600 0.139 0.000 0.972 323 K CA -0.025 56.258 56.287 -0.006 0.000 0.833 323 K CB 2.268 34.751 32.500 -0.027 0.000 1.317 323 K HN 0.834 nan 8.250 nan 0.000 0.441 324 G N 1.260 110.155 108.800 0.158 0.000 2.782 324 G HA2 -0.213 3.538 3.960 -0.348 0.000 0.228 324 G HA3 -0.213 3.538 3.960 -0.348 0.000 0.228 324 G C -0.830 174.189 174.900 0.199 0.000 1.372 324 G CA -0.769 44.415 45.100 0.140 0.000 0.862 324 G HN 0.387 nan 8.290 nan 0.000 0.547 325 L N -0.121 121.162 121.223 0.101 0.000 2.615 325 L HA 0.114 4.246 4.340 -0.348 0.000 0.284 325 L C 1.193 178.113 176.870 0.085 0.000 1.237 325 L CA 0.367 55.228 54.840 0.035 0.000 0.905 325 L CB -0.246 41.790 42.059 -0.039 0.000 1.149 325 L HN 0.623 nan 8.230 nan 0.000 0.499 326 F N 4.584 124.355 119.950 -0.297 0.000 2.659 326 F HA 0.409 4.727 4.527 -0.348 0.000 0.360 326 F C 0.562 176.204 175.800 -0.263 0.000 1.218 326 F CA -0.867 56.843 58.000 -0.484 0.000 1.317 326 F CB -0.271 38.275 39.000 -0.755 0.000 1.697 326 F HN 0.483 nan 8.300 nan 0.000 0.637 327 A N 3.976 126.681 122.820 -0.191 0.000 2.543 327 A HA 0.305 4.416 4.320 -0.348 0.000 0.279 327 A C 0.343 177.953 177.584 0.043 0.000 0.917 327 A CA -0.559 51.305 52.037 -0.287 0.000 1.036 327 A CB -0.105 18.692 19.000 -0.338 0.000 1.227 327 A HN 0.405 nan 8.150 nan 0.000 0.503 328 K N 0.080 120.538 120.400 0.097 0.000 2.240 328 K HA 0.426 4.538 4.320 -0.348 0.000 0.237 328 K C 0.226 176.916 176.600 0.149 0.000 1.027 328 K CA -1.053 55.324 56.287 0.149 0.000 0.937 328 K CB 0.796 33.401 32.500 0.174 0.000 1.171 328 K HN 0.223 nan 8.250 nan 0.000 0.479 329 R N 2.287 122.856 120.500 0.114 0.000 2.504 329 R HA 0.014 4.145 4.340 -0.348 0.000 0.291 329 R C -2.348 173.980 176.300 0.047 0.000 0.974 329 R CA -0.896 55.289 56.100 0.142 0.000 1.077 329 R CB -0.275 30.244 30.300 0.363 0.000 0.926 329 R HN 0.312 nan 8.270 nan 0.000 0.407 330 P HA -0.016 nan 4.420 nan 0.000 0.264 330 P C -0.706 176.558 177.300 -0.061 0.000 1.193 330 P CA -0.034 62.916 63.100 -0.249 0.000 0.763 330 P CB 0.425 31.685 31.700 -0.732 0.000 0.810 331 L N 4.597 125.867 121.223 0.078 0.000 2.330 331 L HA 0.617 4.748 4.340 -0.348 0.000 0.271 331 L C 0.146 177.020 176.870 0.007 0.000 1.013 331 L CA -0.643 54.232 54.840 0.059 0.000 0.816 331 L CB 1.367 43.469 42.059 0.071 0.000 1.287 331 L HN 0.643 nan 8.230 nan 0.000 0.435 332 C N -0.323 118.944 119.300 -0.055 0.000 3.173 332 C HA 0.993 5.244 4.460 -0.348 0.000 0.310 332 C C -1.014 173.873 174.990 -0.171 0.000 1.306 332 C CA -0.896 58.041 59.018 -0.136 0.000 1.426 332 C CB 1.382 29.026 27.740 -0.159 0.000 1.800 332 C HN 0.969 nan 8.230 nan 0.000 0.470 333 D N -0.257 120.019 120.400 -0.207 0.000 2.596 333 D HA 0.579 5.010 4.640 -0.348 0.000 0.262 333 D C -0.436 175.763 176.300 -0.168 0.000 1.210 333 D CA -0.461 53.434 54.000 -0.176 0.000 0.873 333 D CB 1.384 42.090 40.800 -0.156 0.000 1.408 333 D HN 0.469 nan 8.370 nan 0.000 0.441 334 S N -0.509 115.120 115.700 -0.118 0.000 2.506 334 S HA 0.563 4.825 4.470 -0.348 0.000 0.245 334 S C 0.898 175.461 174.600 -0.061 0.000 1.088 334 S CA -0.250 57.893 58.200 -0.096 0.000 1.099 334 S CB 0.245 63.398 63.200 -0.078 0.000 0.805 334 S HN 1.100 nan 8.310 nan 0.000 0.461 335 G N 0.828 109.596 108.800 -0.053 0.000 2.189 335 G HA2 -0.249 3.503 3.960 -0.348 0.000 0.113 335 G HA3 -0.249 3.503 3.960 -0.348 0.000 0.113 335 G C 0.176 175.062 174.900 -0.023 0.000 1.038 335 G CA -0.175 44.909 45.100 -0.027 0.000 0.704 335 G HN 0.431 nan 8.290 nan 0.000 0.490 336 Y N 0.889 121.078 120.300 -0.185 0.000 2.070 336 Y HA -0.123 4.219 4.550 -0.347 0.000 0.280 336 Y C 2.511 178.342 175.900 -0.115 0.000 1.148 336 Y CA 2.611 60.571 58.100 -0.232 0.000 1.125 336 Y CB -0.326 37.906 38.460 -0.381 0.000 0.975 336 Y HN 0.347 nan 8.280 nan 0.000 0.492 337 Y N 0.556 120.795 120.300 -0.102 0.000 2.274 337 Y HA -0.148 4.195 4.550 -0.345 0.000 0.290 337 Y C 2.270 178.141 175.900 -0.048 0.000 1.145 337 Y CA 1.430 59.454 58.100 -0.127 0.000 1.203 337 Y CB -0.898 37.544 38.460 -0.030 0.000 0.984 337 Y HN 0.177 nan 8.280 nan 0.000 0.533 338 E N -0.034 120.209 120.200 0.071 0.000 2.171 338 E HA -0.185 3.956 4.350 -0.348 0.000 0.197 338 E C 2.350 178.920 176.600 -0.049 0.000 0.997 338 E CA 1.712 58.125 56.400 0.022 0.000 0.810 338 E CB -0.510 29.197 29.700 0.011 0.000 0.738 338 E HN 0.478 nan 8.360 nan 0.000 0.467 339 V N -1.613 118.205 119.914 -0.159 0.000 2.626 339 V HA -0.222 3.690 4.120 -0.348 0.000 0.252 339 V C 1.516 177.410 176.094 -0.333 0.000 1.067 339 V CA 1.378 63.512 62.300 -0.278 0.000 1.081 339 V CB -0.912 30.669 31.823 -0.404 0.000 0.686 339 V HN 0.206 nan 8.190 nan 0.000 0.468 340 Y N 1.555 121.754 120.300 -0.168 0.000 2.583 340 Y HA 0.151 4.493 4.550 -0.347 0.000 0.293 340 Y C 2.306 178.146 175.900 -0.101 0.000 1.157 340 Y CA 0.927 58.939 58.100 -0.148 0.000 1.315 340 Y CB -0.551 37.810 38.460 -0.165 0.000 1.021 340 Y HN 0.344 nan 8.280 nan 0.000 0.536 341 N N 0.417 119.133 118.700 0.025 0.000 2.446 341 N HA -0.024 4.507 4.740 -0.348 0.000 0.179 341 N C 0.217 175.713 175.510 -0.025 0.000 1.054 341 N CA 0.397 53.448 53.050 0.001 0.000 0.905 341 N CB -0.025 38.461 38.487 -0.001 0.000 0.973 341 N HN 0.289 nan 8.380 nan 0.000 0.448 342 R N 1.243 121.708 120.500 -0.058 0.000 2.491 342 R HA 0.093 4.225 4.340 -0.348 0.000 0.283 342 R C -1.402 174.863 176.300 -0.057 0.000 1.072 342 R CA -1.209 54.852 56.100 -0.065 0.000 1.048 342 R CB 0.311 30.552 30.300 -0.098 0.000 0.983 342 R HN 0.009 nan 8.270 nan 0.000 0.450 343 P HA -0.192 nan 4.420 nan 0.000 0.218 343 P C 0.373 177.668 177.300 -0.009 0.000 1.148 343 P CA 1.262 64.356 63.100 -0.010 0.000 0.822 343 P CB -0.014 31.689 31.700 0.004 0.000 0.784 344 N N -0.851 117.823 118.700 -0.043 0.000 2.521 344 N HA -0.001 4.531 4.740 -0.348 0.000 0.188 344 N C -0.291 175.024 175.510 -0.325 0.000 1.146 344 N CA 0.160 53.162 53.050 -0.080 0.000 0.893 344 N CB 0.036 38.492 38.487 -0.052 0.000 0.975 344 N HN -0.013 nan 8.380 nan 0.000 0.451 345 V N 1.028 120.778 119.914 -0.273 0.000 2.459 345 V HA 0.264 4.175 4.120 -0.348 0.000 0.295 345 V C -0.443 175.516 176.094 -0.225 0.000 1.029 345 V CA -0.796 61.294 62.300 -0.350 0.000 0.874 345 V CB 1.693 33.306 31.823 -0.349 0.000 0.985 345 V HN 0.243 nan 8.190 nan 0.000 0.438 346 E N 3.892 123.949 120.200 -0.238 0.000 2.224 346 E HA 0.733 4.874 4.350 -0.348 0.000 0.265 346 E C -0.800 175.762 176.600 -0.063 0.000 0.878 346 E CA -0.739 55.620 56.400 -0.068 0.000 0.759 346 E CB 1.889 31.623 29.700 0.058 0.000 1.164 346 E HN 0.799 nan 8.360 nan 0.000 0.414 347 A N 3.831 126.658 122.820 0.011 0.000 2.274 347 A HA 0.512 4.623 4.320 -0.348 0.000 0.309 347 A C -0.754 176.756 177.584 -0.124 0.000 1.226 347 A CA -0.595 51.429 52.037 -0.022 0.000 0.853 347 A CB 1.037 20.004 19.000 -0.056 0.000 1.146 347 A HN 0.406 nan 8.150 nan 0.000 0.518 348 V N 2.479 122.259 119.914 -0.224 0.000 2.378 348 V HA 0.522 4.434 4.120 -0.348 0.000 0.288 348 V C 0.591 176.632 176.094 -0.089 0.000 1.016 348 V CA -0.358 61.821 62.300 -0.201 0.000 0.840 348 V CB 1.249 32.819 31.823 -0.423 0.000 0.994 348 V HN 1.068 nan 8.190 nan 0.000 0.431 349 A N 5.853 128.648 122.820 -0.041 0.000 2.666 349 A HA 0.450 4.562 4.320 -0.348 0.000 0.312 349 A C 1.063 178.658 177.584 0.019 0.000 1.471 349 A CA -0.298 51.728 52.037 -0.019 0.000 1.134 349 A CB -0.391 18.590 19.000 -0.032 0.000 1.129 349 A HN 1.021 nan 8.150 nan 0.000 0.539 350 I N -0.258 120.338 120.570 0.043 0.000 3.444 350 I HA 0.013 3.974 4.170 -0.348 0.000 0.287 350 I C 1.635 177.775 176.117 0.037 0.000 1.302 350 I CA 0.808 62.145 61.300 0.063 0.000 1.368 350 I CB -0.065 37.993 38.000 0.096 0.000 1.048 350 I HN 0.575 nan 8.210 nan 0.000 0.487 351 K N 1.870 122.284 120.400 0.024 0.000 2.007 351 K HA -0.113 3.998 4.320 -0.348 0.000 0.206 351 K C 1.985 178.594 176.600 0.016 0.000 1.047 351 K CA 1.685 57.982 56.287 0.017 0.000 0.937 351 K CB 0.029 32.535 32.500 0.010 0.000 0.718 351 K HN 0.426 nan 8.250 nan 0.000 0.438 352 E N 0.075 120.282 120.200 0.012 0.000 2.077 352 E HA -0.151 3.990 4.350 -0.348 0.000 0.193 352 E C 0.584 177.199 176.600 0.025 0.000 0.989 352 E CA 0.804 57.212 56.400 0.013 0.000 0.800 352 E CB -0.022 29.682 29.700 0.007 0.000 0.746 352 E HN 0.251 nan 8.360 nan 0.000 0.452 353 N N 0.830 119.552 118.700 0.036 0.000 2.844 353 N HA 0.166 4.698 4.740 -0.348 0.000 0.268 353 N C -2.855 172.696 175.510 0.068 0.000 1.574 353 N CA -1.853 51.230 53.050 0.056 0.000 0.838 353 N CB 0.881 39.409 38.487 0.068 0.000 1.177 353 N HN -0.159 nan 8.380 nan 0.000 0.495 354 P HA 0.081 nan 4.420 nan 0.000 0.270 354 P C 0.067 177.396 177.300 0.049 0.000 1.223 354 P CA 0.026 63.152 63.100 0.044 0.000 0.785 354 P CB 1.156 32.874 31.700 0.030 0.000 0.923 355 I N 2.154 122.735 120.570 0.018 0.000 2.598 355 I HA 0.031 3.993 4.170 -0.348 0.000 0.284 355 I C 2.007 178.128 176.117 0.006 0.000 1.140 355 I CA 0.308 61.602 61.300 -0.010 0.000 1.420 355 I CB 0.439 38.374 38.000 -0.109 0.000 1.387 355 I HN 0.446 nan 8.210 nan 0.000 0.553 356 R N 5.823 126.337 120.500 0.024 0.000 2.052 356 R HA 0.030 4.162 4.340 -0.348 0.000 0.224 356 R C -0.078 176.231 176.300 0.015 0.000 1.149 356 R CA 1.032 57.146 56.100 0.024 0.000 0.962 356 R CB 0.426 30.747 30.300 0.035 0.000 0.856 356 R HN 0.841 nan 8.270 nan 0.000 0.433 357 E N -1.159 119.049 120.200 0.013 0.000 2.401 357 E HA 0.246 4.387 4.350 -0.348 0.000 0.280 357 E C -1.458 175.146 176.600 0.006 0.000 1.039 357 E CA -0.958 55.449 56.400 0.012 0.000 0.814 357 E CB 1.672 31.388 29.700 0.026 0.000 1.275 357 E HN -0.099 nan 8.360 nan 0.000 0.448 358 V N 1.339 121.257 119.914 0.006 0.000 2.567 358 V HA 0.540 4.452 4.120 -0.348 0.000 0.289 358 V C 0.460 176.607 176.094 0.088 0.000 1.049 358 V CA 0.215 62.525 62.300 0.015 0.000 0.969 358 V CB 0.966 32.776 31.823 -0.022 0.000 0.995 358 V HN 0.914 nan 8.190 nan 0.000 0.471 359 T N 0.882 115.523 114.554 0.144 0.000 2.807 359 T HA 0.673 4.815 4.350 -0.348 0.000 0.277 359 T C 1.276 176.116 174.700 0.234 0.000 1.006 359 T CA -0.032 62.160 62.100 0.153 0.000 1.006 359 T CB 1.705 70.640 68.868 0.111 0.000 1.274 359 T HN 0.740 nan 8.240 nan 0.000 0.569 360 A N 0.567 123.469 122.820 0.138 0.000 1.958 360 A HA -0.091 4.020 4.320 -0.348 0.000 0.221 360 A C 2.037 179.661 177.584 0.066 0.000 1.178 360 A CA 1.775 53.856 52.037 0.074 0.000 0.642 360 A CB -0.858 18.155 19.000 0.022 0.000 0.816 360 A HN 0.634 nan 8.150 nan 0.000 0.453 361 K N -1.899 118.585 120.400 0.139 0.000 2.354 361 K HA 0.363 4.475 4.320 -0.348 0.000 0.194 361 K C 0.899 177.666 176.600 0.278 0.000 1.038 361 K CA 0.777 57.145 56.287 0.134 0.000 1.052 361 K CB 0.576 33.127 32.500 0.085 0.000 0.861 361 K HN 0.637 nan 8.250 nan 0.000 0.535 362 G N -1.249 107.792 108.800 0.402 0.000 2.491 362 G HA2 0.111 3.863 3.960 -0.348 0.000 0.183 362 G HA3 0.111 3.863 3.960 -0.348 0.000 0.183 362 G C -1.704 173.301 174.900 0.176 0.000 1.221 362 G CA -0.541 44.778 45.100 0.366 0.000 0.996 362 G HN -0.201 nan 8.290 nan 0.000 0.474 363 V N 0.676 120.686 119.914 0.161 0.000 2.487 363 V HA 0.614 4.526 4.120 -0.348 0.000 0.298 363 V C -0.146 176.070 176.094 0.203 0.000 1.028 363 V CA -0.635 61.713 62.300 0.079 0.000 0.860 363 V CB 1.434 33.180 31.823 -0.127 0.000 0.991 363 V HN 0.728 nan 8.190 nan 0.000 0.427 364 V N 4.565 124.551 119.914 0.121 0.000 2.370 364 V HA 0.464 4.376 4.120 -0.348 0.000 0.279 364 V C 0.639 176.816 176.094 0.140 0.000 1.029 364 V CA -0.384 61.989 62.300 0.123 0.000 0.870 364 V CB 1.723 33.584 31.823 0.063 0.000 0.984 364 V HN 1.024 nan 8.190 nan 0.000 0.451 365 T N 1.231 115.910 114.554 0.209 0.000 2.881 365 T HA 0.336 4.478 4.350 -0.348 0.000 0.278 365 T C 0.816 175.578 174.700 0.103 0.000 0.982 365 T CA -0.685 61.522 62.100 0.178 0.000 0.989 365 T CB 1.414 70.452 68.868 0.283 0.000 1.058 365 T HN 0.557 nan 8.240 nan 0.000 0.529 366 E N 0.827 121.076 120.200 0.081 0.000 2.409 366 E HA -0.095 4.047 4.350 -0.348 0.000 0.198 366 E C 1.500 178.128 176.600 0.047 0.000 1.024 366 E CA 0.756 57.188 56.400 0.053 0.000 0.861 366 E CB -0.221 29.505 29.700 0.042 0.000 0.788 366 E HN 0.813 nan 8.360 nan 0.000 0.521 367 D N -0.209 120.226 120.400 0.059 0.000 2.310 367 D HA -0.064 4.368 4.640 -0.348 0.000 0.212 367 D C 1.340 177.657 176.300 0.028 0.000 0.965 367 D CA 0.999 55.025 54.000 0.044 0.000 0.879 367 D CB -0.258 40.574 40.800 0.053 0.000 0.921 367 D HN 0.163 nan 8.370 nan 0.000 0.510 368 G N -0.811 108.007 108.800 0.030 0.000 2.131 368 G HA2 -0.199 3.553 3.960 -0.348 0.000 0.223 368 G HA3 -0.199 3.553 3.960 -0.348 0.000 0.223 368 G C -0.084 174.806 174.900 -0.016 0.000 0.990 368 G CA 0.050 45.157 45.100 0.012 0.000 0.671 368 G HN 0.385 nan 8.290 nan 0.000 0.521 369 V N 1.978 121.870 119.914 -0.037 0.000 2.407 369 V HA 0.513 4.424 4.120 -0.348 0.000 0.278 369 V C 0.990 176.947 176.094 -0.230 0.000 1.037 369 V CA -0.770 61.438 62.300 -0.153 0.000 0.900 369 V CB 1.773 33.465 31.823 -0.218 0.000 0.983 369 V HN 0.383 nan 8.190 nan 0.000 0.459 370 L N 5.864 126.973 121.223 -0.190 0.000 2.319 370 L HA 0.415 4.546 4.340 -0.348 0.000 0.280 370 L C -0.360 176.374 176.870 -0.228 0.000 1.099 370 L CA -0.320 54.450 54.840 -0.117 0.000 0.828 370 L CB 0.477 42.518 42.059 -0.029 0.000 1.150 370 L HN 0.654 nan 8.230 nan 0.000 0.442 371 H N 5.096 124.236 119.070 0.117 0.000 2.641 371 H HA 0.236 4.584 4.556 -0.347 0.000 0.295 371 H C -0.582 174.832 175.328 0.143 0.000 1.070 371 H CA -0.521 55.608 56.048 0.135 0.000 1.257 371 H CB 0.727 30.635 29.762 0.243 0.000 1.393 371 H HN 0.570 nan 8.280 nan 0.000 0.464 372 E N 4.700 124.997 120.200 0.161 0.000 2.257 372 E HA 0.348 4.490 4.350 -0.348 0.000 0.278 372 E C -0.266 176.447 176.600 0.188 0.000 1.049 372 E CA -0.189 56.297 56.400 0.144 0.000 0.876 372 E CB 1.125 30.862 29.700 0.062 0.000 1.035 372 E HN 0.400 nan 8.360 nan 0.000 0.419 373 L N 1.585 122.969 121.223 0.268 0.000 2.415 373 L HA 0.324 4.455 4.340 -0.348 0.000 0.256 373 L C -0.219 176.874 176.870 0.371 0.000 1.010 373 L CA -0.837 54.191 54.840 0.313 0.000 0.826 373 L CB 1.826 44.094 42.059 0.349 0.000 1.405 373 L HN 0.445 nan 8.230 nan 0.000 0.410 374 D N -0.881 119.698 120.400 0.299 0.000 2.500 374 D HA 0.269 4.701 4.640 -0.348 0.000 0.217 374 D C -0.302 176.169 176.300 0.284 0.000 1.159 374 D CA 0.018 54.131 54.000 0.189 0.000 0.828 374 D CB 0.872 41.704 40.800 0.053 0.000 1.039 374 D HN 0.110 nan 8.370 nan 0.000 0.512 375 V N 0.690 120.844 119.914 0.400 0.000 2.808 375 V HA 0.435 4.346 4.120 -0.348 0.000 0.308 375 V C -1.426 174.850 176.094 0.302 0.000 1.099 375 V CA -0.922 61.594 62.300 0.360 0.000 0.920 375 V CB 2.439 34.380 31.823 0.196 0.000 1.014 375 V HN 0.012 nan 8.190 nan 0.000 0.425 376 L N 4.904 126.275 121.223 0.247 0.000 2.325 376 L HA 0.703 4.835 4.340 -0.348 0.000 0.281 376 L C -0.484 176.483 176.870 0.162 0.000 1.004 376 L CA -0.175 54.712 54.840 0.078 0.000 0.823 376 L CB 1.783 43.769 42.059 -0.121 0.000 1.236 376 L HN 0.509 nan 8.230 nan 0.000 0.415 377 V N 5.669 125.635 119.914 0.086 0.000 2.370 377 V HA 0.379 4.290 4.120 -0.348 0.000 0.283 377 V C -0.507 175.546 176.094 -0.068 0.000 1.023 377 V CA -0.433 61.921 62.300 0.089 0.000 0.857 377 V CB 1.260 33.177 31.823 0.157 0.000 0.985 377 V HN 0.436 nan 8.190 nan 0.000 0.443 378 F N 3.594 123.358 119.950 -0.310 0.000 2.335 378 F HA 0.549 4.866 4.527 -0.350 0.000 0.365 378 F C 0.810 176.205 175.800 -0.676 0.000 1.122 378 F CA -0.578 57.120 58.000 -0.502 0.000 1.151 378 F CB 1.335 39.855 39.000 -0.800 0.000 1.282 378 F HN 0.536 nan 8.300 nan 0.000 0.513 379 A N 2.086 124.663 122.820 -0.405 0.000 3.282 379 A HA 0.283 4.394 4.320 -0.348 0.000 0.287 379 A C 1.072 178.450 177.584 -0.343 0.000 1.366 379 A CA -0.119 51.656 52.037 -0.437 0.000 1.069 379 A CB -0.939 17.870 19.000 -0.319 0.000 1.109 379 A HN 0.684 nan 8.150 nan 0.000 0.638 380 T N -3.375 110.974 114.554 -0.342 0.000 3.122 380 T HA 0.464 4.606 4.350 -0.348 0.000 0.250 380 T C 1.218 175.848 174.700 -0.117 0.000 1.067 380 T CA 0.700 62.718 62.100 -0.137 0.000 0.966 380 T CB -0.152 68.719 68.868 0.004 0.000 1.002 380 T HN 1.809 nan 8.240 nan 0.000 0.542 381 G N 1.672 110.292 108.800 -0.301 0.000 2.525 381 G HA2 -0.046 3.705 3.960 -0.348 0.000 0.248 381 G HA3 -0.046 3.705 3.960 -0.348 0.000 0.248 381 G C -0.701 173.739 174.900 -0.767 0.000 1.238 381 G CA -0.323 44.463 45.100 -0.523 0.000 0.926 381 G HN 0.508 nan 8.290 nan 0.000 0.574 382 F N -0.107 119.843 119.950 -0.001 0.000 2.613 382 F HA 0.510 4.823 4.527 -0.356 0.000 0.310 382 F C -0.390 175.429 175.800 0.031 0.000 1.085 382 F CA -0.593 57.392 58.000 -0.024 0.000 0.945 382 F CB 2.082 41.016 39.000 -0.111 0.000 1.298 382 F HN 0.425 nan 8.300 nan 0.000 0.455 383 D N 2.347 122.885 120.400 0.231 0.000 2.402 383 D HA 0.382 4.814 4.640 -0.348 0.000 0.235 383 D C -0.277 176.150 176.300 0.211 0.000 1.226 383 D CA 0.203 54.324 54.000 0.201 0.000 0.918 383 D CB 0.614 41.507 40.800 0.155 0.000 1.043 383 D HN 0.668 nan 8.370 nan 0.000 0.506 384 A N 2.793 125.758 122.820 0.241 0.000 2.371 384 A HA 0.510 4.622 4.320 -0.348 0.000 0.257 384 A C 1.453 179.146 177.584 0.182 0.000 1.089 384 A CA -0.058 52.106 52.037 0.212 0.000 0.794 384 A CB 0.672 19.903 19.000 0.384 0.000 1.029 384 A HN 0.732 nan 8.150 nan 0.000 0.488 385 V N 0.912 120.903 119.914 0.129 0.000 0.609 385 V HA -0.384 3.527 4.120 -0.348 0.000 0.092 385 V C 1.793 177.979 176.094 0.152 0.000 1.683 385 V CA 2.492 64.832 62.300 0.066 0.000 3.346 385 V CB -1.817 29.933 31.823 -0.121 0.000 0.626 385 V HN 1.111 nan 8.190 nan 0.000 0.642 386 D N 1.311 121.782 120.400 0.118 0.000 2.348 386 D HA 0.124 4.556 4.640 -0.348 0.000 0.211 386 D C 1.910 178.443 176.300 0.389 0.000 0.998 386 D CA 1.349 55.498 54.000 0.249 0.000 0.873 386 D CB -0.193 40.616 40.800 0.014 0.000 0.925 386 D HN 0.754 nan 8.370 nan 0.000 0.524 387 G N 1.330 110.284 108.800 0.255 0.000 2.476 387 G HA2 -0.336 3.416 3.960 -0.348 0.000 0.218 387 G HA3 -0.336 3.416 3.960 -0.348 0.000 0.218 387 G C 1.680 176.696 174.900 0.194 0.000 1.164 387 G CA 0.592 45.817 45.100 0.208 0.000 0.768 387 G HN 0.216 nan 8.290 nan 0.000 0.560 388 N N -0.586 118.202 118.700 0.148 0.000 2.494 388 N HA 0.030 4.562 4.740 -0.348 0.000 0.182 388 N C 1.532 177.032 175.510 -0.018 0.000 1.076 388 N CA 0.305 53.367 53.050 0.020 0.000 0.908 388 N CB -0.117 38.318 38.487 -0.087 0.000 0.967 388 N HN 0.495 nan 8.380 nan 0.000 0.449 389 Y N 0.465 120.889 120.300 0.206 0.000 2.314 389 Y HA 0.146 4.489 4.550 -0.344 0.000 0.294 389 Y C 2.089 178.113 175.900 0.207 0.000 1.119 389 Y CA 0.635 58.877 58.100 0.238 0.000 1.179 389 Y CB 0.241 38.935 38.460 0.389 0.000 1.025 389 Y HN -0.051 nan 8.280 nan 0.000 0.541 390 R N -0.075 120.656 120.500 0.386 0.000 2.236 390 R HA 0.017 4.149 4.340 -0.348 0.000 0.208 390 R C 1.623 178.056 176.300 0.221 0.000 1.036 390 R CA 0.508 56.791 56.100 0.306 0.000 1.001 390 R CB -0.072 30.401 30.300 0.288 0.000 0.896 390 R HN 0.276 nan 8.270 nan 0.000 0.464 391 R N -0.128 120.475 120.500 0.171 0.000 2.310 391 R HA 0.152 4.283 4.340 -0.348 0.000 0.202 391 R C 0.027 176.391 176.300 0.106 0.000 0.933 391 R CA 0.286 56.455 56.100 0.114 0.000 1.054 391 R CB 0.418 30.761 30.300 0.071 0.000 0.985 391 R HN -0.034 nan 8.270 nan 0.000 0.489 392 I N 0.438 121.087 120.570 0.132 0.000 2.648 392 I HA 0.121 4.082 4.170 -0.348 0.000 0.304 392 I C 0.009 176.208 176.117 0.137 0.000 1.009 392 I CA -1.692 59.671 61.300 0.105 0.000 1.114 392 I CB 1.741 39.784 38.000 0.071 0.000 1.293 392 I HN -0.091 nan 8.210 nan 0.000 0.449 393 E N 5.507 125.762 120.200 0.091 0.000 1.932 393 E HA 0.366 4.508 4.350 -0.348 0.000 0.275 393 E C -1.156 175.404 176.600 -0.066 0.000 1.159 393 E CA 0.160 56.571 56.400 0.019 0.000 0.905 393 E CB -0.056 29.681 29.700 0.061 0.000 1.059 393 E HN 0.368 nan 8.360 nan 0.000 0.400 394 I N 5.155 125.590 120.570 -0.225 0.000 2.418 394 I HA 0.468 4.430 4.170 -0.348 0.000 0.287 394 I C -0.083 175.943 176.117 -0.152 0.000 1.008 394 I CA -0.841 60.428 61.300 -0.052 0.000 1.104 394 I CB 1.623 39.666 38.000 0.071 0.000 1.264 394 I HN 0.320 nan 8.210 nan 0.000 0.438 395 R N 3.846 124.352 120.500 0.010 0.000 2.532 395 R HA 0.585 4.716 4.340 -0.348 0.000 0.297 395 R C 0.102 176.236 176.300 -0.277 0.000 0.984 395 R CA -0.622 55.403 56.100 -0.125 0.000 0.884 395 R CB 2.453 32.672 30.300 -0.135 0.000 1.182 395 R HN 0.791 nan 8.270 nan 0.000 0.442 396 G N 1.532 109.799 108.800 -0.888 0.000 2.714 396 G HA2 0.229 3.981 3.960 -0.348 0.000 0.197 396 G HA3 0.229 3.981 3.960 -0.348 0.000 0.197 396 G C -0.335 174.093 174.900 -0.787 0.000 1.449 396 G CA -0.736 43.576 45.100 -1.313 0.000 1.065 396 G HN 0.374 nan 8.290 nan 0.000 0.575 397 R N 0.563 120.587 120.500 -0.794 0.000 2.640 397 R HA 0.087 4.218 4.340 -0.348 0.000 0.270 397 R C -0.349 175.775 176.300 -0.292 0.000 1.024 397 R CA 0.635 56.478 56.100 -0.429 0.000 1.085 397 R CB 0.121 30.187 30.300 -0.389 0.000 0.963 397 R HN 0.576 nan 8.270 nan 0.000 0.426 398 D N 1.302 121.597 120.400 -0.176 0.000 2.837 398 D HA -0.182 4.249 4.640 -0.348 0.000 0.230 398 D C 0.750 176.974 176.300 -0.126 0.000 1.152 398 D CA 1.475 55.398 54.000 -0.130 0.000 0.736 398 D CB -1.108 39.628 40.800 -0.106 0.000 1.084 398 D HN 1.064 nan 8.370 nan 0.000 0.429 399 G N -0.280 108.428 108.800 -0.154 0.000 2.179 399 G HA2 -0.325 3.426 3.960 -0.348 0.000 0.257 399 G HA3 -0.325 3.426 3.960 -0.348 0.000 0.257 399 G C 0.261 175.102 174.900 -0.098 0.000 1.010 399 G CA 0.408 45.436 45.100 -0.120 0.000 0.736 399 G HN 0.533 nan 8.290 nan 0.000 0.513 400 L N 2.095 123.222 121.223 -0.160 0.000 2.456 400 L HA 0.399 4.531 4.340 -0.348 0.000 0.277 400 L C 0.923 177.791 176.870 -0.004 0.000 1.124 400 L CA -0.875 53.918 54.840 -0.078 0.000 0.880 400 L CB 0.066 42.053 42.059 -0.120 0.000 1.192 400 L HN 0.336 nan 8.230 nan 0.000 0.463 401 H N 3.915 123.003 119.070 0.030 0.000 2.815 401 H HA -0.051 4.296 4.556 -0.348 0.000 0.350 401 H C 1.164 176.570 175.328 0.130 0.000 1.080 401 H CA 0.396 56.491 56.048 0.078 0.000 1.433 401 H CB 1.113 30.911 29.762 0.059 0.000 1.432 401 H HN 0.835 nan 8.280 nan 0.000 0.592 402 I N 4.407 125.103 120.570 0.211 0.000 2.248 402 I HA -0.311 3.650 4.170 -0.348 0.000 0.248 402 I C 1.590 177.751 176.117 0.073 0.000 1.107 402 I CA 1.708 62.959 61.300 -0.083 0.000 1.373 402 I CB -0.457 37.320 38.000 -0.372 0.000 1.055 402 I HN 0.645 nan 8.210 nan 0.000 0.418 403 N N -0.220 118.699 118.700 0.366 0.000 2.459 403 N HA -0.121 4.410 4.740 -0.348 0.000 0.181 403 N C 1.038 176.635 175.510 0.145 0.000 1.046 403 N CA 0.798 53.962 53.050 0.190 0.000 0.904 403 N CB 0.049 38.547 38.487 0.019 0.000 0.964 403 N HN 0.409 nan 8.380 nan 0.000 0.444 404 D N -0.743 119.758 120.400 0.168 0.000 2.277 404 D HA -0.069 4.363 4.640 -0.348 0.000 0.209 404 D C 1.560 177.968 176.300 0.181 0.000 0.970 404 D CA 0.663 54.748 54.000 0.142 0.000 0.874 404 D CB -0.017 40.859 40.800 0.126 0.000 0.982 404 D HN 0.320 nan 8.370 nan 0.000 0.504 405 H N -0.367 118.764 119.070 0.102 0.000 2.326 405 H HA -0.110 4.237 4.556 -0.348 0.000 0.301 405 H C 0.302 175.754 175.328 0.206 0.000 1.081 405 H CA 1.343 57.447 56.048 0.095 0.000 1.334 405 H CB -0.041 29.730 29.762 0.015 0.000 1.385 405 H HN 0.027 nan 8.280 nan 0.000 0.504 406 W N 2.955 124.207 121.300 -0.081 0.000 2.269 406 W HA 0.189 4.640 4.660 -0.350 0.000 0.402 406 W C 0.633 177.132 176.519 -0.035 0.000 0.654 406 W CA -0.316 56.953 57.345 -0.128 0.000 2.299 406 W CB -0.380 29.035 29.460 -0.074 0.000 1.621 406 W HN 0.518 nan 8.180 nan 0.000 0.677 407 D N -1.292 119.206 120.400 0.163 0.000 2.224 407 D HA -0.082 4.350 4.640 -0.348 0.000 0.205 407 D C 1.563 177.915 176.300 0.086 0.000 0.965 407 D CA 1.161 55.230 54.000 0.115 0.000 0.852 407 D CB -0.220 40.631 40.800 0.085 0.000 0.947 407 D HN 0.196 nan 8.370 nan 0.000 0.494 408 G N 0.443 109.283 108.800 0.066 0.000 3.380 408 G HA2 0.158 3.909 3.960 -0.348 0.000 0.188 408 G HA3 0.158 3.909 3.960 -0.348 0.000 0.188 408 G C 0.112 175.022 174.900 0.016 0.000 1.892 408 G CA -0.201 44.920 45.100 0.036 0.000 0.912 408 G HN 0.368 nan 8.290 nan 0.000 0.609 409 Q N 1.386 121.167 119.800 -0.031 0.000 2.373 409 Q HA 0.352 4.483 4.340 -0.348 0.000 0.255 409 Q C -2.527 173.329 176.000 -0.241 0.000 0.980 409 Q CA -1.594 54.147 55.803 -0.105 0.000 0.882 409 Q CB 1.234 29.911 28.738 -0.101 0.000 1.249 409 Q HN 0.174 nan 8.270 nan 0.000 0.438 410 P HA 0.046 nan 4.420 nan 0.000 0.275 410 P C -0.730 175.973 177.300 -0.994 0.000 1.227 410 P CA 0.078 62.438 63.100 -1.234 0.000 0.781 410 P CB 1.157 32.092 31.700 -1.276 0.000 0.906 411 T N -1.191 112.709 114.554 -1.090 0.000 2.883 411 T HA 0.749 4.890 4.350 -0.348 0.000 0.296 411 T C -0.427 174.283 174.700 0.017 0.000 1.117 411 T CA -0.681 61.243 62.100 -0.294 0.000 1.006 411 T CB 1.461 70.298 68.868 -0.051 0.000 1.191 411 T HN 0.540 nan 8.240 nan 0.000 0.508 412 S N 0.378 116.180 115.700 0.171 0.000 2.638 412 S HA 0.622 4.883 4.470 -0.348 0.000 0.274 412 S C -1.937 172.844 174.600 0.301 0.000 1.157 412 S CA -0.983 57.370 58.200 0.256 0.000 0.826 412 S CB 1.411 64.714 63.200 0.172 0.000 1.139 412 S HN 0.962 nan 8.310 nan 0.000 0.474 413 Y N 2.051 122.340 120.300 -0.018 0.000 2.342 413 Y HA 0.584 4.926 4.550 -0.347 0.000 0.338 413 Y C 0.716 176.259 175.900 -0.595 0.000 0.965 413 Y CA -1.316 56.599 58.100 -0.307 0.000 1.159 413 Y CB -0.039 38.245 38.460 -0.294 0.000 1.157 413 Y HN 0.857 nan 8.280 nan 0.000 0.486 414 L N 5.623 125.784 121.223 -1.770 0.000 4.759 414 L HA -0.330 3.802 4.340 -0.348 0.000 0.419 414 L C 1.200 177.724 176.870 -0.577 0.000 1.093 414 L CA 0.815 54.667 54.840 -1.647 0.000 1.037 414 L CB -1.820 39.356 42.059 -1.472 0.000 2.095 414 L HN 1.050 nan 8.230 nan 0.000 0.739 415 G N -0.750 107.920 108.800 -0.216 0.000 2.205 415 G HA2 -0.326 3.425 3.960 -0.348 0.000 0.261 415 G HA3 -0.326 3.425 3.960 -0.348 0.000 0.261 415 G C 0.542 175.448 174.900 0.009 0.000 0.980 415 G CA 0.721 45.831 45.100 0.016 0.000 0.632 415 G HN 1.153 nan 8.290 nan 0.000 0.533 416 V N -2.561 117.344 119.914 -0.015 0.000 3.451 416 V HA 0.708 4.620 4.120 -0.348 0.000 0.288 416 V C 0.504 176.783 176.094 0.309 0.000 1.502 416 V CA 1.222 63.583 62.300 0.101 0.000 1.026 416 V CB 0.316 32.133 31.823 -0.010 0.000 0.840 416 V HN 1.728 nan 8.190 nan 0.000 0.437 417 S N -0.901 114.980 115.700 0.300 0.000 2.596 417 S HA 0.792 5.054 4.470 -0.348 0.000 0.270 417 S C -0.657 174.166 174.600 0.372 0.000 1.155 417 S CA 0.071 58.526 58.200 0.425 0.000 0.827 417 S CB 2.226 65.793 63.200 0.612 0.000 1.130 417 S HN 0.548 nan 8.310 nan 0.000 0.467 418 T N -0.066 114.718 114.554 0.383 0.000 2.894 418 T HA 0.709 4.851 4.350 -0.348 0.000 0.309 418 T C -0.445 174.411 174.700 0.260 0.000 1.208 418 T CA -0.039 62.272 62.100 0.351 0.000 1.016 418 T CB 1.290 70.415 68.868 0.429 0.000 1.192 418 T HN 1.520 nan 8.240 nan 0.000 0.491 419 A N 2.722 125.696 122.820 0.257 0.000 2.483 419 A HA 0.502 4.613 4.320 -0.348 0.000 0.238 419 A C 0.950 178.542 177.584 0.014 0.000 1.070 419 A CA 0.601 52.721 52.037 0.139 0.000 0.770 419 A CB -0.696 18.410 19.000 0.177 0.000 1.008 419 A HN 1.209 nan 8.150 nan 0.000 0.497 420 N N -1.934 116.719 118.700 -0.077 0.000 2.936 420 N HA -0.181 4.351 4.740 -0.348 0.000 0.236 420 N C -0.787 174.374 175.510 -0.582 0.000 0.930 420 N CA 1.906 54.774 53.050 -0.302 0.000 0.966 420 N CB -1.535 36.736 38.487 -0.360 0.000 1.090 420 N HN 0.506 nan 8.380 nan 0.000 0.592 421 F N 0.475 120.208 119.950 -0.362 0.000 2.449 421 F HA 0.390 4.709 4.527 -0.347 0.000 0.344 421 F C -2.203 173.563 175.800 -0.057 0.000 1.180 421 F CA -2.228 55.597 58.000 -0.291 0.000 1.209 421 F CB 1.026 39.687 39.000 -0.566 0.000 1.440 421 F HN -0.212 nan 8.300 nan 0.000 0.526 422 P HA 0.167 nan 4.420 nan 0.000 0.278 422 P C -0.150 177.293 177.300 0.239 0.000 1.238 422 P CA -0.080 63.016 63.100 -0.006 0.000 0.794 422 P CB 0.769 32.346 31.700 -0.206 0.000 0.955 423 N N -1.259 117.512 118.700 0.118 0.000 2.725 423 N HA -0.218 4.313 4.740 -0.348 0.000 0.249 423 N C -1.279 174.227 175.510 -0.007 0.000 1.103 423 N CA 1.008 54.137 53.050 0.132 0.000 0.707 423 N CB -1.988 36.702 38.487 0.339 0.000 1.043 423 N HN 0.632 nan 8.380 nan 0.000 0.553 424 W N 0.510 121.455 121.300 -0.590 0.000 2.647 424 W HA 0.626 5.078 4.660 -0.346 0.000 0.328 424 W C -1.336 174.852 176.519 -0.553 0.000 1.018 424 W CA -0.687 56.363 57.345 -0.493 0.000 1.245 424 W CB 0.607 29.871 29.460 -0.327 0.000 1.356 424 W HN -0.071 nan 8.180 nan 0.000 0.443 425 F N 5.542 125.368 119.950 -0.206 0.000 2.579 425 F HA 0.692 5.009 4.527 -0.349 0.000 0.324 425 F C 0.257 175.847 175.800 -0.349 0.000 1.058 425 F CA -1.188 56.736 58.000 -0.126 0.000 0.944 425 F CB 1.931 40.936 39.000 0.008 0.000 1.245 425 F HN -0.040 nan 8.300 nan 0.000 0.477 426 M N 2.045 121.674 119.600 0.048 0.000 2.393 426 M HA 0.554 4.826 4.480 -0.348 0.000 0.316 426 M C -1.417 174.939 176.300 0.094 0.000 1.087 426 M CA -0.909 54.397 55.300 0.009 0.000 0.937 426 M CB 2.339 34.944 32.600 0.007 0.000 1.668 426 M HN 0.158 nan 8.290 nan 0.000 0.438 427 V N 4.760 124.736 119.914 0.103 0.000 2.347 427 V HA 0.349 4.261 4.120 -0.348 0.000 0.280 427 V C 0.544 176.714 176.094 0.126 0.000 1.021 427 V CA -0.604 61.763 62.300 0.112 0.000 0.847 427 V CB 1.020 32.916 31.823 0.122 0.000 0.990 427 V HN 0.916 nan 8.190 nan 0.000 0.444 428 L N 3.794 125.078 121.223 0.101 0.000 3.598 428 L HA -0.168 3.964 4.340 -0.348 0.000 0.422 428 L C 1.051 177.978 176.870 0.095 0.000 1.262 428 L CA 0.426 55.322 54.840 0.092 0.000 0.889 428 L CB -1.401 40.725 42.059 0.113 0.000 1.857 428 L HN 0.837 nan 8.230 nan 0.000 0.858 429 G N -0.126 108.721 108.800 0.078 0.000 2.588 429 G HA2 0.508 4.259 3.960 -0.348 0.000 0.278 429 G HA3 0.508 4.259 3.960 -0.348 0.000 0.278 429 G C -2.326 172.521 174.900 -0.089 0.000 1.307 429 G CA -0.889 44.227 45.100 0.027 0.000 1.016 429 G HN 0.092 nan 8.290 nan 0.000 0.503 430 P HA 0.064 nan 4.420 nan 0.000 0.265 430 P C -0.176 177.045 177.300 -0.130 0.000 1.187 430 P CA 0.435 63.359 63.100 -0.293 0.000 0.766 430 P CB 0.130 31.532 31.700 -0.497 0.000 0.820 431 N N -0.372 118.228 118.700 -0.167 0.000 2.756 431 N HA -0.134 4.398 4.740 -0.348 0.000 0.248 431 N C 0.368 176.045 175.510 0.277 0.000 1.062 431 N CA 0.354 53.439 53.050 0.058 0.000 0.696 431 N CB -1.240 37.333 38.487 0.143 0.000 0.946 431 N HN 0.637 nan 8.380 nan 0.000 0.548 432 G N 0.060 108.925 108.800 0.108 0.000 2.887 432 G HA2 0.715 4.466 3.960 -0.348 0.000 0.277 432 G HA3 0.715 4.466 3.960 -0.348 0.000 0.277 432 G C -2.759 172.218 174.900 0.129 0.000 1.346 432 G CA -1.000 44.126 45.100 0.044 0.000 1.058 432 G HN -0.031 nan 8.290 nan 0.000 0.535 433 P HA 0.189 nan 4.420 nan 0.000 0.271 433 P C -1.368 176.079 177.300 0.245 0.000 1.218 433 P CA -0.113 62.995 63.100 0.013 0.000 0.780 433 P CB 1.031 32.556 31.700 -0.292 0.000 0.901 434 F N 3.295 123.245 119.950 0.001 0.000 2.359 434 F HA 0.420 4.739 4.527 -0.346 0.000 0.370 434 F C -0.255 175.477 175.800 -0.113 0.000 1.077 434 F CA 0.246 58.136 58.000 -0.184 0.000 1.136 434 F CB 0.443 39.165 39.000 -0.464 0.000 1.387 434 F HN 0.400 nan 8.300 nan 0.000 0.468 435 T N 0.982 115.323 114.554 -0.355 0.000 2.762 435 T HA 0.272 4.414 4.350 -0.348 0.000 0.301 435 T C -0.759 173.640 174.700 -0.502 0.000 1.299 435 T CA -1.223 60.667 62.100 -0.350 0.000 1.005 435 T CB 1.019 69.752 68.868 -0.225 0.000 1.377 435 T HN 0.363 nan 8.240 nan 0.000 0.504 436 N N 0.810 118.968 118.700 -0.903 0.000 2.332 436 N HA 0.009 4.540 4.740 -0.348 0.000 0.274 436 N C 0.970 176.206 175.510 -0.456 0.000 1.351 436 N CA 0.029 52.480 53.050 -0.998 0.000 0.875 436 N CB -0.391 37.257 38.487 -1.398 0.000 1.140 436 N HN 0.644 nan 8.380 nan 0.000 0.489 437 L N 5.413 126.469 121.223 -0.279 0.000 2.072 437 L HA -0.005 4.126 4.340 -0.348 0.000 0.205 437 L C -0.625 176.090 176.870 -0.257 0.000 1.079 437 L CA 0.637 55.358 54.840 -0.198 0.000 0.752 437 L CB -1.180 40.822 42.059 -0.095 0.000 0.906 437 L HN 0.504 nan 8.230 nan 0.000 0.436 438 P HA -0.200 nan 4.420 nan 0.000 0.217 438 P C -1.388 175.787 177.300 -0.208 0.000 1.162 438 P CA 1.948 64.727 63.100 -0.536 0.000 0.901 438 P CB -1.152 30.053 31.700 -0.825 0.000 0.793 439 P HA -0.025 nan 4.420 nan 0.000 0.223 439 P C 1.358 178.661 177.300 0.004 0.000 1.151 439 P CA 1.430 64.496 63.100 -0.057 0.000 0.787 439 P CB -0.256 31.453 31.700 0.014 0.000 0.788 440 S N -0.095 115.592 115.700 -0.021 0.000 2.387 440 S HA -0.023 4.239 4.470 -0.348 0.000 0.226 440 S C 1.977 176.621 174.600 0.073 0.000 1.026 440 S CA 0.747 58.961 58.200 0.023 0.000 0.972 440 S CB -0.837 62.335 63.200 -0.046 0.000 0.814 440 S HN 0.114 nan 8.310 nan 0.000 0.477 441 I N 1.514 122.121 120.570 0.061 0.000 2.226 441 I HA -0.182 3.779 4.170 -0.348 0.000 0.245 441 I C 2.507 178.775 176.117 0.251 0.000 1.100 441 I CA 1.197 62.587 61.300 0.150 0.000 1.374 441 I CB -0.316 37.781 38.000 0.161 0.000 1.057 441 I HN 0.322 nan 8.210 nan 0.000 0.413 442 E N 0.239 120.593 120.200 0.257 0.000 2.051 442 E HA -0.200 3.941 4.350 -0.348 0.000 0.192 442 E C 2.149 178.901 176.600 0.254 0.000 0.991 442 E CA 1.960 58.572 56.400 0.354 0.000 0.799 442 E CB -0.132 29.696 29.700 0.213 0.000 0.748 442 E HN 0.469 nan 8.360 nan 0.000 0.449 443 T N 1.325 115.984 114.554 0.176 0.000 2.652 443 T HA -0.214 3.927 4.350 -0.348 0.000 0.267 443 T C 1.895 176.695 174.700 0.167 0.000 1.039 443 T CA 1.446 63.641 62.100 0.158 0.000 1.153 443 T CB -0.238 68.741 68.868 0.184 0.000 0.863 443 T HN 0.220 nan 8.240 nan 0.000 0.428 444 Q N 0.149 120.054 119.800 0.176 0.000 2.079 444 Q HA -0.043 4.089 4.340 -0.348 0.000 0.200 444 Q C 2.616 178.689 176.000 0.122 0.000 0.974 444 Q CA 1.079 56.966 55.803 0.141 0.000 0.840 444 Q CB -0.398 28.413 28.738 0.122 0.000 0.898 444 Q HN 0.330 nan 8.270 nan 0.000 0.430 445 V N 1.348 121.320 119.914 0.097 0.000 2.358 445 V HA -0.252 3.660 4.120 -0.348 0.000 0.246 445 V C 1.896 177.889 176.094 -0.168 0.000 1.047 445 V CA 1.931 64.203 62.300 -0.047 0.000 1.035 445 V CB -0.463 31.324 31.823 -0.061 0.000 0.658 445 V HN 0.344 nan 8.190 nan 0.000 0.452 446 E N -1.219 118.922 120.200 -0.098 0.000 2.077 446 E HA -0.291 3.850 4.350 -0.348 0.000 0.193 446 E C 1.918 178.463 176.600 -0.091 0.000 0.989 446 E CA 1.811 58.130 56.400 -0.135 0.000 0.800 446 E CB -0.249 29.438 29.700 -0.023 0.000 0.746 446 E HN 0.771 nan 8.360 nan 0.000 0.452 447 W N 1.035 122.228 121.300 -0.179 0.000 2.388 447 W HA -0.122 4.329 4.660 -0.349 0.000 0.294 447 W C 1.748 178.090 176.519 -0.295 0.000 1.212 447 W CA 1.199 58.428 57.345 -0.193 0.000 1.271 447 W CB -0.003 29.361 29.460 -0.160 0.000 1.126 447 W HN -0.039 nan 8.180 nan 0.000 0.535 448 I N -0.356 120.212 120.570 -0.003 0.000 2.252 448 I HA -0.304 3.658 4.170 -0.348 0.000 0.245 448 I C 2.735 178.503 176.117 -0.582 0.000 1.102 448 I CA 1.591 62.658 61.300 -0.388 0.000 1.385 448 I CB -0.868 36.932 38.000 -0.334 0.000 1.064 448 I HN -0.063 nan 8.210 nan 0.000 0.414 449 S N 0.547 115.988 115.700 -0.432 0.000 2.368 449 S HA -0.216 4.045 4.470 -0.348 0.000 0.225 449 S C 1.713 176.056 174.600 -0.429 0.000 1.030 449 S CA 1.783 59.721 58.200 -0.435 0.000 0.999 449 S CB -0.282 62.671 63.200 -0.411 0.000 0.844 449 S HN 0.366 nan 8.310 nan 0.000 0.459 450 D N 0.465 120.613 120.400 -0.421 0.000 2.117 450 D HA -0.068 4.363 4.640 -0.348 0.000 0.197 450 D C 2.224 178.254 176.300 -0.450 0.000 0.987 450 D CA 1.767 55.538 54.000 -0.381 0.000 0.829 450 D CB -0.897 39.681 40.800 -0.371 0.000 0.961 450 D HN 0.605 nan 8.370 nan 0.000 0.460 451 T N -0.543 113.562 114.554 -0.748 0.000 2.904 451 T HA -0.035 4.107 4.350 -0.348 0.000 0.267 451 T C 2.193 176.556 174.700 -0.561 0.000 1.059 451 T CA 0.455 62.001 62.100 -0.925 0.000 1.137 451 T CB -0.269 67.614 68.868 -1.642 0.000 0.879 451 T HN 0.084 nan 8.240 nan 0.000 0.467 452 I N 1.291 121.514 120.570 -0.579 0.000 2.252 452 I HA 0.024 3.985 4.170 -0.348 0.000 0.245 452 I C 2.982 178.873 176.117 -0.376 0.000 1.102 452 I CA 1.322 62.282 61.300 -0.566 0.000 1.385 452 I CB -0.789 36.735 38.000 -0.794 0.000 1.064 452 I HN 0.448 nan 8.210 nan 0.000 0.414 453 G N -0.051 108.565 108.800 -0.306 0.000 2.402 453 G HA2 -0.324 3.428 3.960 -0.348 0.000 0.216 453 G HA3 -0.324 3.428 3.960 -0.348 0.000 0.216 453 G C 1.617 176.459 174.900 -0.097 0.000 1.162 453 G CA 0.641 45.624 45.100 -0.194 0.000 0.777 453 G HN 0.375 nan 8.290 nan 0.000 0.539 454 Y N 2.034 122.201 120.300 -0.222 0.000 2.081 454 Y HA -0.174 4.167 4.550 -0.348 0.000 0.280 454 Y C 2.935 178.761 175.900 -0.123 0.000 1.163 454 Y CA 2.149 60.154 58.100 -0.158 0.000 1.135 454 Y CB -0.420 37.929 38.460 -0.187 0.000 0.970 454 Y HN 0.248 nan 8.280 nan 0.000 0.498 455 A N 0.247 123.069 122.820 0.002 0.000 1.902 455 A HA -0.168 3.943 4.320 -0.348 0.000 0.217 455 A C 2.114 179.695 177.584 -0.005 0.000 1.181 455 A CA 1.786 53.826 52.037 0.005 0.000 0.623 455 A CB -0.637 18.466 19.000 0.172 0.000 0.818 455 A HN 0.580 nan 8.150 nan 0.000 0.443 456 E N -0.167 120.039 120.200 0.009 0.000 2.031 456 E HA -0.193 3.949 4.350 -0.348 0.000 0.193 456 E C 2.218 178.786 176.600 -0.054 0.000 0.994 456 E CA 1.323 57.731 56.400 0.014 0.000 0.800 456 E CB -0.314 29.383 29.700 -0.005 0.000 0.752 456 E HN 0.489 nan 8.360 nan 0.000 0.447 457 R N 0.763 121.201 120.500 -0.102 0.000 2.120 457 R HA -0.019 4.113 4.340 -0.348 0.000 0.234 457 R C 1.105 177.315 176.300 -0.151 0.000 1.123 457 R CA 0.630 56.660 56.100 -0.118 0.000 0.975 457 R CB -0.029 30.199 30.300 -0.120 0.000 0.866 457 R HN 0.102 nan 8.270 nan 0.000 0.446 458 N N -1.489 117.071 118.700 -0.234 0.000 2.431 458 N HA 0.111 4.642 4.740 -0.348 0.000 0.289 458 N C 0.705 176.134 175.510 -0.134 0.000 1.277 458 N CA 0.426 53.334 53.050 -0.236 0.000 0.972 458 N CB 0.047 38.280 38.487 -0.423 0.000 1.143 458 N HN 0.150 nan 8.380 nan 0.000 0.578 459 G N -0.607 108.132 108.800 -0.101 0.000 3.383 459 G HA2 0.191 3.943 3.960 -0.348 0.000 0.251 459 G HA3 0.191 3.943 3.960 -0.348 0.000 0.251 459 G C -0.097 174.787 174.900 -0.026 0.000 1.203 459 G CA -0.171 44.898 45.100 -0.052 0.000 0.852 459 G HN 0.241 nan 8.290 nan 0.000 0.531 460 V N 0.777 120.678 119.914 -0.022 0.000 2.521 460 V HA 0.137 4.049 4.120 -0.348 0.000 0.286 460 V C 1.279 177.403 176.094 0.049 0.000 1.034 460 V CA 0.003 62.317 62.300 0.025 0.000 1.045 460 V CB 1.076 32.927 31.823 0.047 0.000 0.974 460 V HN 0.440 nan 8.190 nan 0.000 0.480 461 R N 3.108 123.633 120.500 0.042 0.000 2.156 461 R HA 0.469 4.601 4.340 -0.348 0.000 0.207 461 R C 0.480 176.817 176.300 0.062 0.000 1.040 461 R CA 0.843 56.961 56.100 0.030 0.000 1.013 461 R CB 0.462 30.770 30.300 0.013 0.000 0.931 461 R HN 0.733 nan 8.270 nan 0.000 0.465 462 A N 1.096 123.969 122.820 0.089 0.000 2.517 462 A HA 0.589 4.700 4.320 -0.348 0.000 0.297 462 A C -1.570 176.098 177.584 0.140 0.000 1.050 462 A CA -0.582 51.524 52.037 0.115 0.000 0.694 462 A CB 1.608 20.659 19.000 0.086 0.000 1.277 462 A HN 0.169 nan 8.150 nan 0.000 0.400 463 I N 1.701 122.381 120.570 0.184 0.000 2.499 463 I HA 0.650 4.612 4.170 -0.348 0.000 0.288 463 I C -0.883 175.416 176.117 0.303 0.000 1.048 463 I CA -0.165 61.279 61.300 0.240 0.000 1.062 463 I CB 1.644 39.765 38.000 0.202 0.000 1.238 463 I HN 0.914 nan 8.210 nan 0.000 0.426 464 E N 7.917 128.342 120.200 0.375 0.000 2.392 464 E HA 0.559 4.700 4.350 -0.348 0.000 0.279 464 E C -3.053 173.693 176.600 0.242 0.000 0.964 464 E CA -2.102 54.500 56.400 0.336 0.000 0.777 464 E CB 2.174 31.948 29.700 0.123 0.000 1.249 464 E HN 0.139 nan 8.360 nan 0.000 0.449 465 P HA 0.020 nan 4.420 nan 0.000 0.274 465 P C 0.102 177.264 177.300 -0.230 0.000 1.231 465 P CA -0.128 62.678 63.100 -0.490 0.000 0.790 465 P CB 0.762 32.095 31.700 -0.611 0.000 0.951 466 T N -0.541 113.851 114.554 -0.271 0.000 2.900 466 T HA 0.159 4.300 4.350 -0.348 0.000 0.307 466 T C -1.751 172.877 174.700 -0.119 0.000 1.065 466 T CA -1.288 60.725 62.100 -0.144 0.000 1.105 466 T CB -0.364 68.428 68.868 -0.126 0.000 0.979 466 T HN 0.201 nan 8.240 nan 0.000 0.544 467 P HA -0.160 nan 4.420 nan 0.000 0.216 467 P C 1.738 179.032 177.300 -0.011 0.000 1.150 467 P CA 1.145 64.250 63.100 0.009 0.000 0.837 467 P CB 0.026 31.745 31.700 0.031 0.000 0.786 468 E N -0.012 120.168 120.200 -0.034 0.000 2.110 468 E HA -0.158 3.984 4.350 -0.348 0.000 0.193 468 E C 1.962 178.534 176.600 -0.046 0.000 0.988 468 E CA 1.627 58.013 56.400 -0.023 0.000 0.804 468 E CB -1.212 28.478 29.700 -0.017 0.000 0.745 468 E HN 0.165 nan 8.360 nan 0.000 0.458 469 A N 1.738 124.456 122.820 -0.170 0.000 1.898 469 A HA -0.205 3.906 4.320 -0.348 0.000 0.216 469 A C 2.175 179.673 177.584 -0.143 0.000 1.181 469 A CA 1.551 53.396 52.037 -0.320 0.000 0.620 469 A CB -0.570 17.884 19.000 -0.910 0.000 0.819 469 A HN 0.372 nan 8.150 nan 0.000 0.442 470 E N 0.039 120.173 120.200 -0.111 0.000 2.058 470 E HA -0.167 3.974 4.350 -0.348 0.000 0.194 470 E C 2.081 178.811 176.600 0.217 0.000 0.997 470 E CA 1.436 57.926 56.400 0.151 0.000 0.801 470 E CB -0.307 29.466 29.700 0.121 0.000 0.746 470 E HN 0.519 nan 8.360 nan 0.000 0.450 471 A N 0.704 123.597 122.820 0.122 0.000 1.933 471 A HA -0.220 3.892 4.320 -0.348 0.000 0.218 471 A C 1.945 179.605 177.584 0.126 0.000 1.175 471 A CA 1.692 53.792 52.037 0.105 0.000 0.628 471 A CB -0.525 18.514 19.000 0.064 0.000 0.814 471 A HN 0.359 nan 8.150 nan 0.000 0.444 472 E N -1.381 118.910 120.200 0.151 0.000 2.150 472 E HA -0.183 3.958 4.350 -0.348 0.000 0.193 472 E C 1.836 178.592 176.600 0.259 0.000 0.985 472 E CA 0.843 57.348 56.400 0.174 0.000 0.814 472 E CB -0.215 29.586 29.700 0.169 0.000 0.752 472 E HN 0.877 nan 8.360 nan 0.000 0.466 473 W N 1.534 122.925 121.300 0.153 0.000 2.381 473 W HA -0.157 4.294 4.660 -0.349 0.000 0.301 473 W C 1.747 178.333 176.519 0.112 0.000 1.205 473 W CA 1.488 58.929 57.345 0.159 0.000 1.285 473 W CB -0.023 29.570 29.460 0.222 0.000 1.133 473 W HN 0.036 nan 8.180 nan 0.000 0.521 474 T N 0.493 115.122 114.554 0.124 0.000 2.720 474 T HA -0.309 3.832 4.350 -0.348 0.000 0.268 474 T C 1.565 176.226 174.700 -0.066 0.000 1.037 474 T CA 2.039 64.133 62.100 -0.011 0.000 1.144 474 T CB -0.448 68.441 68.868 0.036 0.000 0.864 474 T HN 0.346 nan 8.240 nan 0.000 0.444 475 E N 0.177 120.366 120.200 -0.018 0.000 2.107 475 E HA -0.129 4.012 4.350 -0.348 0.000 0.191 475 E C 2.134 178.698 176.600 -0.061 0.000 0.982 475 E CA 1.202 57.590 56.400 -0.019 0.000 0.809 475 E CB -0.040 29.672 29.700 0.020 0.000 0.756 475 E HN 0.382 nan 8.360 nan 0.000 0.459 476 T N 0.218 114.711 114.554 -0.102 0.000 2.708 476 T HA -0.167 3.975 4.350 -0.348 0.000 0.266 476 T C 1.988 176.547 174.700 -0.234 0.000 1.037 476 T CA 1.333 63.342 62.100 -0.152 0.000 1.146 476 T CB -0.410 68.349 68.868 -0.183 0.000 0.865 476 T HN 0.334 nan 8.240 nan 0.000 0.435 477 C N 1.534 120.613 119.300 -0.368 0.000 2.440 477 C HA -0.048 4.203 4.460 -0.348 0.000 0.278 477 C C 3.061 177.966 174.990 -0.142 0.000 1.295 477 C CA 0.931 59.777 59.018 -0.288 0.000 1.738 477 C CB -1.405 26.132 27.740 -0.338 0.000 1.987 477 C HN 0.602 nan 8.230 nan 0.000 0.492 478 T N 0.451 114.945 114.554 -0.100 0.000 2.746 478 T HA -0.208 3.934 4.350 -0.348 0.000 0.267 478 T C 1.678 176.365 174.700 -0.022 0.000 1.039 478 T CA 1.748 63.831 62.100 -0.028 0.000 1.142 478 T CB -0.282 68.575 68.868 -0.018 0.000 0.866 478 T HN 0.670 nan 8.240 nan 0.000 0.444 479 E N 0.653 120.828 120.200 -0.042 0.000 2.038 479 E HA -0.109 4.033 4.350 -0.348 0.000 0.195 479 E C 2.121 178.697 176.600 -0.040 0.000 1.000 479 E CA 1.136 57.516 56.400 -0.033 0.000 0.803 479 E CB -0.278 29.403 29.700 -0.031 0.000 0.750 479 E HN 0.457 nan 8.360 nan 0.000 0.448 480 I N 0.618 121.145 120.570 -0.072 0.000 2.208 480 I HA -0.296 3.666 4.170 -0.348 0.000 0.245 480 I C 2.464 178.555 176.117 -0.043 0.000 1.097 480 I CA 1.049 62.294 61.300 -0.091 0.000 1.363 480 I CB -0.335 37.544 38.000 -0.202 0.000 1.051 480 I HN 0.220 nan 8.210 nan 0.000 0.413 481 A N 0.846 123.665 122.820 -0.003 0.000 1.933 481 A HA -0.209 3.902 4.320 -0.348 0.000 0.218 481 A C 1.927 179.540 177.584 0.048 0.000 1.175 481 A CA 1.858 53.962 52.037 0.112 0.000 0.628 481 A CB -0.650 18.512 19.000 0.271 0.000 0.814 481 A HN 0.419 nan 8.150 nan 0.000 0.444 482 N N 0.387 119.089 118.700 0.004 0.000 2.453 482 N HA -0.017 4.515 4.740 -0.348 0.000 0.183 482 N C 1.377 176.860 175.510 -0.044 0.000 1.041 482 N CA 1.180 54.209 53.050 -0.034 0.000 0.900 482 N CB -0.383 38.087 38.487 -0.029 0.000 0.961 482 N HN 0.491 nan 8.380 nan 0.000 0.443 483 A N -0.207 122.595 122.820 -0.030 0.000 2.251 483 A HA 0.102 4.213 4.320 -0.348 0.000 0.209 483 A C 1.052 178.614 177.584 -0.038 0.000 1.187 483 A CA 0.424 52.442 52.037 -0.032 0.000 0.823 483 A CB -0.222 18.764 19.000 -0.023 0.000 0.846 483 A HN 0.326 nan 8.150 nan 0.000 0.486 484 T N -4.288 110.241 114.554 -0.042 0.000 2.926 484 T HA 0.600 4.741 4.350 -0.348 0.000 0.289 484 T C 0.584 175.180 174.700 -0.172 0.000 1.054 484 T CA -0.627 61.431 62.100 -0.071 0.000 1.015 484 T CB 1.039 69.945 68.868 0.063 0.000 1.167 484 T HN -0.019 nan 8.240 nan 0.000 0.526 485 L N 0.071 121.099 121.223 -0.324 0.000 2.529 485 L HA 0.255 4.387 4.340 -0.348 0.000 0.223 485 L C 1.973 178.613 176.870 -0.383 0.000 1.113 485 L CA 0.170 54.797 54.840 -0.356 0.000 0.861 485 L CB -0.466 41.369 42.059 -0.373 0.000 1.012 485 L HN 0.684 nan 8.230 nan 0.000 0.461 486 F N -0.077 119.747 119.950 -0.209 0.000 2.192 486 F HA -0.317 4.003 4.527 -0.346 0.000 0.301 486 F C 2.788 178.292 175.800 -0.494 0.000 1.079 486 F CA 1.827 59.691 58.000 -0.227 0.000 1.303 486 F CB -0.629 38.312 39.000 -0.098 0.000 1.024 486 F HN 0.041 nan 8.300 nan 0.000 0.494 487 T N -0.392 113.740 114.554 -0.703 0.000 2.915 487 T HA -0.115 4.027 4.350 -0.348 0.000 0.269 487 T C 1.657 175.979 174.700 -0.630 0.000 1.071 487 T CA 1.047 62.336 62.100 -1.352 0.000 1.132 487 T CB -0.132 68.083 68.868 -1.089 0.000 0.878 487 T HN 0.117 nan 8.240 nan 0.000 0.479 488 K N 0.336 120.516 120.400 -0.366 0.000 2.387 488 K HA 0.243 4.354 4.320 -0.348 0.000 0.198 488 K C 2.028 178.543 176.600 -0.142 0.000 1.022 488 K CA 0.360 56.519 56.287 -0.214 0.000 1.128 488 K CB 0.267 32.665 32.500 -0.170 0.000 0.853 488 K HN 0.349 nan 8.250 nan 0.000 0.523 489 G N 1.681 110.396 108.800 -0.142 0.000 2.572 489 G HA2 -0.202 3.550 3.960 -0.348 0.000 0.216 489 G HA3 -0.202 3.550 3.960 -0.348 0.000 0.216 489 G C 0.149 175.055 174.900 0.009 0.000 1.133 489 G CA 0.201 45.275 45.100 -0.043 0.000 0.791 489 G HN 0.405 nan 8.290 nan 0.000 0.538 490 D N -0.397 120.001 120.400 -0.004 0.000 2.956 490 D HA -0.149 4.282 4.640 -0.348 0.000 0.240 490 D C 0.360 176.712 176.300 0.086 0.000 1.141 490 D CA 0.958 54.982 54.000 0.041 0.000 0.820 490 D CB -1.212 39.609 40.800 0.035 0.000 0.988 490 D HN 0.645 nan 8.370 nan 0.000 0.417 491 S N 0.442 116.203 115.700 0.101 0.000 2.752 491 S HA 0.532 4.794 4.470 -0.348 0.000 0.284 491 S C 1.341 176.039 174.600 0.163 0.000 1.189 491 S CA -0.387 57.892 58.200 0.131 0.000 0.835 491 S CB 0.243 63.477 63.200 0.057 0.000 1.192 491 S HN 0.492 nan 8.310 nan 0.000 0.506 492 W N 0.706 122.127 121.300 0.201 0.000 2.350 492 W HA -0.021 4.435 4.660 -0.340 0.000 0.289 492 W C 1.303 177.963 176.519 0.236 0.000 1.215 492 W CA 0.979 58.451 57.345 0.212 0.000 1.236 492 W CB -1.288 28.312 29.460 0.234 0.000 1.130 492 W HN 0.596 nan 8.180 nan 0.000 0.541 493 I N 0.122 120.370 120.570 -0.538 0.000 2.315 493 I HA -0.281 3.680 4.170 -0.348 0.000 0.251 493 I C 1.377 177.394 176.117 -0.165 0.000 1.125 493 I CA 1.724 62.699 61.300 -0.542 0.000 1.392 493 I CB -0.644 36.912 38.000 -0.739 0.000 1.065 493 I HN -0.190 nan 8.210 nan 0.000 0.424 494 F N 0.416 120.335 119.950 -0.050 0.000 2.708 494 F HA 0.368 4.686 4.527 -0.347 0.000 0.300 494 F C 1.416 177.243 175.800 0.045 0.000 1.118 494 F CA -0.140 57.861 58.000 0.002 0.000 1.307 494 F CB 0.324 39.310 39.000 -0.023 0.000 0.986 494 F HN 0.059 nan 8.300 nan 0.000 0.522 495 G N 0.921 109.839 108.800 0.197 0.000 2.273 495 G HA2 -0.235 3.517 3.960 -0.348 0.000 0.280 495 G HA3 -0.235 3.517 3.960 -0.348 0.000 0.280 495 G C 0.951 175.959 174.900 0.178 0.000 1.047 495 G CA 0.439 45.652 45.100 0.187 0.000 0.869 495 G HN 0.606 nan 8.290 nan 0.000 0.502 496 A N -0.125 122.811 122.820 0.194 0.000 2.348 496 A HA 0.289 4.401 4.320 -0.348 0.000 0.224 496 A C 1.945 179.620 177.584 0.153 0.000 1.227 496 A CA 1.108 53.236 52.037 0.152 0.000 0.885 496 A CB -0.116 18.962 19.000 0.130 0.000 0.933 496 A HN 0.761 nan 8.150 nan 0.000 0.506 497 N N 0.623 119.440 118.700 0.195 0.000 2.422 497 N HA 0.036 4.567 4.740 -0.348 0.000 0.181 497 N C 0.156 175.757 175.510 0.151 0.000 1.080 497 N CA 0.357 53.521 53.050 0.190 0.000 0.893 497 N CB 0.065 38.712 38.487 0.267 0.000 0.973 497 N HN 0.394 nan 8.380 nan 0.000 0.456 498 I N 1.128 121.783 120.570 0.141 0.000 2.382 498 I HA 0.406 4.367 4.170 -0.348 0.000 0.285 498 I C -2.692 173.483 176.117 0.097 0.000 1.007 498 I CA -2.157 59.213 61.300 0.116 0.000 1.142 498 I CB 1.190 39.261 38.000 0.118 0.000 1.289 498 I HN -0.340 nan 8.210 nan 0.000 0.453 499 P HA 0.139 nan 4.420 nan 0.000 0.262 499 P C 1.049 178.390 177.300 0.068 0.000 1.182 499 P CA 0.939 64.081 63.100 0.070 0.000 0.761 499 P CB 0.676 32.413 31.700 0.061 0.000 0.795 500 G N 2.168 111.006 108.800 0.063 0.000 2.279 500 G HA2 -0.234 3.517 3.960 -0.348 0.000 0.223 500 G HA3 -0.234 3.517 3.960 -0.348 0.000 0.223 500 G C 0.226 175.167 174.900 0.068 0.000 1.015 500 G CA -0.058 45.078 45.100 0.060 0.000 0.621 500 G HN 0.697 nan 8.290 nan 0.000 0.506 501 K N 1.621 122.068 120.400 0.079 0.000 2.312 501 K HA 0.433 4.545 4.320 -0.348 0.000 0.287 501 K C 0.442 177.089 176.600 0.078 0.000 1.062 501 K CA -0.568 55.770 56.287 0.085 0.000 0.934 501 K CB 0.436 32.999 32.500 0.105 0.000 1.027 501 K HN 0.195 nan 8.250 nan 0.000 0.478 502 K N 5.731 126.171 120.400 0.067 0.000 2.447 502 K HA 0.101 4.212 4.320 -0.348 0.000 0.281 502 K C -2.248 174.391 176.600 0.065 0.000 1.031 502 K CA -1.452 54.870 56.287 0.058 0.000 1.019 502 K CB 0.486 33.014 32.500 0.046 0.000 0.918 502 K HN 0.389 nan 8.250 nan 0.000 0.476 503 P HA 0.076 nan 4.420 nan 0.000 0.275 503 P C -1.156 176.200 177.300 0.093 0.000 1.227 503 P CA -0.260 62.900 63.100 0.101 0.000 0.781 503 P CB 1.305 33.067 31.700 0.104 0.000 0.906 504 S N 0.080 115.849 115.700 0.115 0.000 2.636 504 S HA 0.381 4.643 4.470 -0.348 0.000 0.266 504 S C -0.664 173.995 174.600 0.097 0.000 1.147 504 S CA -0.922 57.337 58.200 0.099 0.000 0.815 504 S CB 0.087 63.286 63.200 -0.002 0.000 1.119 504 S HN 0.107 nan 8.310 nan 0.000 0.470 505 V N 1.448 121.391 119.914 0.050 0.000 2.901 505 V HA 0.221 4.132 4.120 -0.348 0.000 0.307 505 V C 0.617 176.514 176.094 -0.327 0.000 1.084 505 V CA 0.366 62.535 62.300 -0.218 0.000 1.184 505 V CB -0.072 31.691 31.823 -0.101 0.000 0.941 505 V HN 0.807 nan 8.190 nan 0.000 0.493 506 L N 2.667 123.596 121.223 -0.490 0.000 3.515 506 L HA 0.432 4.563 4.340 -0.348 0.000 0.322 506 L C -0.485 175.989 176.870 -0.660 0.000 1.225 506 L CA 0.265 54.806 54.840 -0.499 0.000 1.104 506 L CB 0.408 42.182 42.059 -0.475 0.000 1.506 506 L HN 0.478 nan 8.230 nan 0.000 0.624 507 F N -1.380 118.380 119.950 -0.316 0.000 2.588 507 F HA 0.336 4.653 4.527 -0.350 0.000 0.310 507 F C -0.374 175.359 175.800 -0.111 0.000 1.082 507 F CA -1.030 56.875 58.000 -0.159 0.000 0.929 507 F CB 1.474 40.358 39.000 -0.193 0.000 1.254 507 F HN -0.228 nan 8.300 nan 0.000 0.455 508 Y N 3.393 123.745 120.300 0.086 0.000 2.436 508 Y HA 0.407 4.748 4.550 -0.348 0.000 0.343 508 Y C -0.107 175.827 175.900 0.057 0.000 1.008 508 Y CA -0.061 58.041 58.100 0.005 0.000 1.241 508 Y CB 0.495 39.029 38.460 0.124 0.000 1.153 508 Y HN 0.552 nan 8.280 nan 0.000 0.521 509 L N 6.772 127.742 121.223 -0.422 0.000 2.912 509 L HA 0.258 4.390 4.340 -0.348 0.000 0.240 509 L C 1.578 178.191 176.870 -0.429 0.000 1.262 509 L CA 0.217 54.880 54.840 -0.295 0.000 1.058 509 L CB -0.003 41.967 42.059 -0.149 0.000 1.383 509 L HN 1.018 nan 8.230 nan 0.000 0.512 510 G N -0.767 107.474 108.800 -0.933 0.000 2.683 510 G HA2 0.374 4.125 3.960 -0.348 0.000 0.213 510 G HA3 0.374 4.125 3.960 -0.348 0.000 0.213 510 G C 0.809 175.665 174.900 -0.073 0.000 1.142 510 G CA 0.577 45.336 45.100 -0.569 0.000 0.793 510 G HN 0.504 nan 8.290 nan 0.000 0.534 511 G N -1.087 107.737 108.800 0.040 0.000 2.663 511 G HA2 -0.007 3.745 3.960 -0.348 0.000 0.686 511 G HA3 -0.007 3.745 3.960 -0.348 0.000 0.686 511 G C 0.304 175.346 174.900 0.238 0.000 1.288 511 G CA -0.166 44.999 45.100 0.108 0.000 0.836 511 G HN 0.687 nan 8.290 nan 0.000 0.584 512 L N 0.682 121.993 121.223 0.148 0.000 2.056 512 L HA 0.110 4.242 4.340 -0.348 0.000 0.207 512 L C 2.878 179.869 176.870 0.201 0.000 1.078 512 L CA 2.887 57.832 54.840 0.174 0.000 0.749 512 L CB -0.587 41.514 42.059 0.070 0.000 0.901 512 L HN 0.768 nan 8.230 nan 0.000 0.433 513 R N -0.594 119.990 120.500 0.140 0.000 2.080 513 R HA -0.190 3.941 4.340 -0.348 0.000 0.236 513 R C 2.000 178.390 176.300 0.149 0.000 1.137 513 R CA 1.896 58.067 56.100 0.118 0.000 0.943 513 R CB -0.270 30.080 30.300 0.082 0.000 0.846 513 R HN 0.465 nan 8.270 nan 0.000 0.431 514 N N -0.256 118.569 118.700 0.208 0.000 2.244 514 N HA -0.180 4.351 4.740 -0.348 0.000 0.183 514 N C 1.477 177.157 175.510 0.283 0.000 1.016 514 N CA 1.014 54.213 53.050 0.250 0.000 0.866 514 N CB -0.474 38.198 38.487 0.307 0.000 0.980 514 N HN 0.308 nan 8.380 nan 0.000 0.430 515 Y N 2.195 122.632 120.300 0.227 0.000 2.133 515 Y HA -0.084 4.258 4.550 -0.347 0.000 0.287 515 Y C 2.327 178.201 175.900 -0.043 0.000 1.134 515 Y CA 1.556 59.669 58.100 0.021 0.000 1.133 515 Y CB -0.166 38.338 38.460 0.074 0.000 0.987 515 Y HN -0.098 nan 8.280 nan 0.000 0.502 516 R N -0.100 120.415 120.500 0.024 0.000 2.117 516 R HA -0.213 3.918 4.340 -0.348 0.000 0.243 516 R C 2.463 178.697 176.300 -0.110 0.000 1.143 516 R CA 1.361 57.419 56.100 -0.070 0.000 0.968 516 R CB -0.668 29.659 30.300 0.045 0.000 0.863 516 R HN 0.464 nan 8.270 nan 0.000 0.444 517 A N 0.423 123.216 122.820 -0.045 0.000 1.930 517 A HA -0.086 4.026 4.320 -0.348 0.000 0.217 517 A C 2.337 179.872 177.584 -0.082 0.000 1.175 517 A CA 1.162 53.179 52.037 -0.033 0.000 0.627 517 A CB -0.403 18.610 19.000 0.022 0.000 0.815 517 A HN 0.118 nan 8.150 nan 0.000 0.443 518 V N 0.104 119.936 119.914 -0.138 0.000 2.295 518 V HA -0.297 3.614 4.120 -0.348 0.000 0.246 518 V C 2.715 178.621 176.094 -0.313 0.000 1.049 518 V CA 2.094 64.277 62.300 -0.195 0.000 1.024 518 V CB -0.644 31.055 31.823 -0.208 0.000 0.648 518 V HN 0.502 nan 8.190 nan 0.000 0.447 519 M N -0.138 119.164 119.600 -0.497 0.000 2.086 519 M HA -0.106 4.165 4.480 -0.348 0.000 0.261 519 M C 2.445 178.706 176.300 -0.065 0.000 1.067 519 M CA 2.234 57.240 55.300 -0.490 0.000 1.116 519 M CB -1.695 30.480 32.600 -0.709 0.000 1.348 519 M HN 0.390 nan 8.290 nan 0.000 0.407 520 A N 0.726 123.507 122.820 -0.064 0.000 1.908 520 A HA -0.213 3.898 4.320 -0.348 0.000 0.218 520 A C 2.039 179.601 177.584 -0.037 0.000 1.181 520 A CA 2.283 54.312 52.037 -0.014 0.000 0.627 520 A CB -0.713 18.270 19.000 -0.028 0.000 0.818 520 A HN 0.609 nan 8.150 nan 0.000 0.445 521 E N -0.437 119.735 120.200 -0.047 0.000 2.158 521 E HA -0.031 4.110 4.350 -0.348 0.000 0.191 521 E C 1.507 178.083 176.600 -0.039 0.000 0.982 521 E CA 1.257 57.632 56.400 -0.041 0.000 0.823 521 E CB -0.672 29.016 29.700 -0.021 0.000 0.766 521 E HN 0.177 nan 8.360 nan 0.000 0.468 522 V N 1.266 121.173 119.914 -0.013 0.000 2.343 522 V HA -0.253 3.659 4.120 -0.348 0.000 0.247 522 V C 2.513 178.550 176.094 -0.095 0.000 1.051 522 V CA 1.937 64.267 62.300 0.051 0.000 1.036 522 V CB -0.931 30.976 31.823 0.140 0.000 0.654 522 V HN 0.537 nan 8.190 nan 0.000 0.451 523 A N -0.048 122.666 122.820 -0.176 0.000 1.873 523 A HA -0.083 4.028 4.320 -0.348 0.000 0.215 523 A C 2.375 179.596 177.584 -0.606 0.000 1.186 523 A CA 1.916 53.497 52.037 -0.761 0.000 0.616 523 A CB -0.788 17.876 19.000 -0.560 0.000 0.823 523 A HN 0.582 nan 8.150 nan 0.000 0.442 524 A N -0.852 121.792 122.820 -0.293 0.000 2.121 524 A HA -0.090 4.022 4.320 -0.348 0.000 0.218 524 A C 1.458 178.945 177.584 -0.163 0.000 1.154 524 A CA 1.762 53.681 52.037 -0.197 0.000 0.679 524 A CB -0.420 18.514 19.000 -0.110 0.000 0.795 524 A HN 0.419 nan 8.150 nan 0.000 0.458 525 D N -1.058 119.244 120.400 -0.163 0.000 2.395 525 D HA 0.357 4.788 4.640 -0.348 0.000 0.226 525 D C 0.979 177.226 176.300 -0.089 0.000 1.146 525 D CA 0.807 54.756 54.000 -0.085 0.000 0.830 525 D CB -0.421 40.366 40.800 -0.021 0.000 0.958 525 D HN 0.442 nan 8.370 nan 0.000 0.501 526 G N 1.162 109.841 108.800 -0.201 0.000 2.295 526 G HA2 -0.362 3.389 3.960 -0.348 0.000 0.287 526 G HA3 -0.362 3.389 3.960 -0.348 0.000 0.287 526 G C 0.078 174.962 174.900 -0.027 0.000 1.055 526 G CA 0.064 45.092 45.100 -0.119 0.000 0.922 526 G HN 0.351 nan 8.290 nan 0.000 0.503 527 Y N -2.794 117.471 120.300 -0.059 0.000 3.168 527 Y HA -0.254 4.087 4.550 -0.348 0.000 0.207 527 Y C 1.399 177.491 175.900 0.320 0.000 1.280 527 Y CA 1.027 59.166 58.100 0.066 0.000 1.235 527 Y CB -1.466 36.864 38.460 -0.218 0.000 1.370 527 Y HN 0.829 nan 8.280 nan 0.000 0.537 528 R N 0.916 121.600 120.500 0.306 0.000 2.523 528 R HA 0.230 4.362 4.340 -0.348 0.000 0.281 528 R C 1.489 178.006 176.300 0.362 0.000 0.969 528 R CA 1.551 57.815 56.100 0.274 0.000 1.093 528 R CB -0.200 30.210 30.300 0.183 0.000 0.917 528 R HN 0.888 nan 8.270 nan 0.000 0.408 529 G N 3.441 112.342 108.800 0.169 0.000 2.241 529 G HA2 -0.288 3.463 3.960 -0.348 0.000 0.244 529 G HA3 -0.288 3.463 3.960 -0.348 0.000 0.244 529 G C -0.091 174.656 174.900 -0.254 0.000 0.998 529 G CA -0.086 44.926 45.100 -0.146 0.000 0.621 529 G HN 0.532 nan 8.290 nan 0.000 0.519 530 F N 2.452 122.467 119.950 0.108 0.000 2.385 530 F HA 0.542 4.860 4.527 -0.348 0.000 0.336 530 F C 0.882 176.745 175.800 0.104 0.000 1.100 530 F CA -0.416 57.663 58.000 0.131 0.000 1.116 530 F CB 1.023 40.160 39.000 0.229 0.000 1.166 530 F HN 0.305 nan 8.300 nan 0.000 0.511 531 E N 1.087 121.436 120.200 0.247 0.000 2.231 531 E HA 0.622 4.763 4.350 -0.348 0.000 0.277 531 E C -1.505 175.218 176.600 0.204 0.000 0.999 531 E CA -0.899 55.609 56.400 0.181 0.000 0.827 531 E CB 2.053 31.812 29.700 0.097 0.000 1.101 531 E HN 0.304 nan 8.360 nan 0.000 0.393 532 V N 2.855 122.870 119.914 0.169 0.000 2.380 532 V HA 0.194 4.105 4.120 -0.348 0.000 0.286 532 V C -0.330 175.827 176.094 0.105 0.000 1.015 532 V CA -0.949 61.446 62.300 0.158 0.000 0.834 532 V CB 1.115 33.052 31.823 0.189 0.000 1.009 532 V HN 0.653 nan 8.190 nan 0.000 0.428 533 K N 3.355 123.808 120.400 0.087 0.000 2.338 533 K HA 0.394 4.505 4.320 -0.348 0.000 0.290 533 K C 0.484 177.112 176.600 0.046 0.000 1.069 533 K CA 0.248 56.569 56.287 0.057 0.000 0.941 533 K CB 0.513 33.042 32.500 0.048 0.000 1.023 533 K HN 0.723 nan 8.250 nan 0.000 0.477 534 S N 1.902 117.621 115.700 0.032 0.000 2.640 534 S HA 0.461 4.723 4.470 -0.348 0.000 0.262 534 S C 0.176 174.779 174.600 0.005 0.000 1.232 534 S CA -0.556 57.653 58.200 0.015 0.000 0.988 534 S CB 0.939 64.144 63.200 0.009 0.000 1.034 534 S HN 0.791 nan 8.310 nan 0.000 0.569 535 A N 0.000 122.817 122.820 -0.005 0.000 2.254 535 A HA 0.000 4.111 4.320 -0.348 0.000 0.244 535 A CA 0.000 52.031 52.037 -0.010 0.000 0.836 535 A CB 0.000 18.990 19.000 -0.016 0.000 0.831 535 A HN 0.000 nan 8.150 nan 0.000 0.486