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 1xfc_1_A DATA FIRST_RESID 11 DATA SEQUENCE LAEAMVDLGA IEHNVRVLRE HAGHAQLMAV VKADGYGHGA TRVAQTALGA DATA SEQUENCE GAAELGVATV DEALALRADG ITAPVLAWLH PPGIDFGPAL LADVQVAVSS DATA SEQUENCE LRQLDELLHA VRRTGRTATV TVKVDTGLNR NGVGPAQFPA MLTALRQAMA DATA SEQUENCE EDAVRLRGLM SHMXXXXXPD DSINDVQAQR FTAFLAQARE QGVRFEVAHL DATA SEQUENCE SNSSATMARP DLTFDLVRPG IAVYGLSPVP ALGDMGLVPA MTVKCAVALV DATA SEQUENCE KSIRAGEGVS YGHTWIAPRD TNLALLPIGY ADGVFRSLGG RLEVLINGRR DATA SEQUENCE CPGVGRICMD QFMVDLGPGP LDVAEGDEAI LFGPGIRGEP TAQDWADLVG DATA SEQUENCE TIHYEVVTSP RGRITRTYRE 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 11 L HA 0.000 nan 4.340 nan 0.000 0.249 11 L C 0.000 176.849 176.870 -0.036 0.000 1.165 11 L CA 0.000 54.821 54.840 -0.031 0.000 0.813 11 L CB 0.000 42.043 42.059 -0.026 0.000 0.961 12 A N 0.645 123.443 122.820 -0.038 0.000 2.572 12 A HA 0.680 4.997 4.320 -0.005 0.000 0.295 12 A C -1.490 176.057 177.584 -0.062 0.000 1.072 12 A CA -0.124 51.887 52.037 -0.045 0.000 0.691 12 A CB 1.943 20.927 19.000 -0.027 0.000 1.291 12 A HN 0.285 nan 8.150 nan 0.000 0.404 13 E N 0.136 120.283 120.200 -0.088 0.000 2.390 13 E HA 0.677 5.024 4.350 -0.005 0.000 0.277 13 E C -0.938 175.561 176.600 -0.168 0.000 0.939 13 E CA -0.797 55.534 56.400 -0.115 0.000 0.769 13 E CB 2.054 31.690 29.700 -0.106 0.000 1.251 13 E HN 1.218 nan 8.360 nan 0.000 0.450 14 A N 4.272 126.976 122.820 -0.192 0.000 2.582 14 A HA 0.360 4.677 4.320 -0.005 0.000 0.336 14 A C -0.272 177.147 177.584 -0.276 0.000 1.445 14 A CA -0.597 51.287 52.037 -0.255 0.000 0.997 14 A CB -0.105 18.752 19.000 -0.238 0.000 1.148 14 A HN 0.710 nan 8.150 nan 0.000 0.514 15 M N 3.885 123.339 119.600 -0.245 0.000 2.146 15 M HA 0.365 4.842 4.480 -0.005 0.000 0.352 15 M C -1.324 174.859 176.300 -0.195 0.000 1.343 15 M CA -0.038 55.132 55.300 -0.216 0.000 1.115 15 M CB 0.464 32.978 32.600 -0.144 0.000 1.657 15 M HN 0.298 nan 8.290 nan 0.000 0.471 16 V N 5.148 124.916 119.914 -0.243 0.000 2.370 16 V HA 0.194 4.310 4.120 -0.005 0.000 0.279 16 V C -0.268 175.859 176.094 0.057 0.000 1.029 16 V CA -0.630 61.624 62.300 -0.076 0.000 0.870 16 V CB 1.399 33.170 31.823 -0.086 0.000 0.984 16 V HN 0.708 nan 8.190 nan 0.000 0.451 17 D N 4.528 124.978 120.400 0.083 0.000 2.411 17 D HA 0.239 4.876 4.640 -0.005 0.000 0.225 17 D C 0.960 177.327 176.300 0.112 0.000 1.156 17 D CA -0.120 53.928 54.000 0.081 0.000 0.874 17 D CB 1.200 42.026 40.800 0.043 0.000 1.034 17 D HN 0.450 nan 8.370 nan 0.000 0.502 18 L N 2.843 124.146 121.223 0.134 0.000 2.362 18 L HA 0.041 4.378 4.340 -0.005 0.000 0.219 18 L C 2.349 179.257 176.870 0.063 0.000 1.134 18 L CA 0.721 55.625 54.840 0.108 0.000 0.807 18 L CB -0.096 42.021 42.059 0.097 0.000 0.927 18 L HN 0.453 nan 8.230 nan 0.000 0.447 19 G N -0.032 108.801 108.800 0.056 0.000 2.422 19 G HA2 -0.197 3.760 3.960 -0.005 0.000 0.218 19 G HA3 -0.197 3.760 3.960 -0.005 0.000 0.218 19 G C 1.769 176.701 174.900 0.055 0.000 1.140 19 G CA 0.796 45.922 45.100 0.044 0.000 0.775 19 G HN 0.457 nan 8.290 nan 0.000 0.545 20 A N 0.900 123.751 122.820 0.051 0.000 1.930 20 A HA 0.150 4.467 4.320 -0.005 0.000 0.215 20 A C 2.314 179.942 177.584 0.075 0.000 1.176 20 A CA 0.936 53.010 52.037 0.061 0.000 0.632 20 A CB -0.209 18.815 19.000 0.039 0.000 0.819 20 A HN 0.239 nan 8.150 nan 0.000 0.445 21 I N 0.564 121.158 120.570 0.040 0.000 2.118 21 I HA -0.270 3.897 4.170 -0.005 0.000 0.241 21 I C 2.361 178.464 176.117 -0.023 0.000 1.070 21 I CA 1.749 63.036 61.300 -0.022 0.000 1.327 21 I CB -1.662 36.329 38.000 -0.015 0.000 1.034 21 I HN 0.475 nan 8.210 nan 0.000 0.405 22 E N -0.392 119.816 120.200 0.013 0.000 2.085 22 E HA -0.301 4.046 4.350 -0.005 0.000 0.194 22 E C 2.162 178.772 176.600 0.016 0.000 0.994 22 E CA 1.707 58.110 56.400 0.006 0.000 0.801 22 E CB -0.347 29.365 29.700 0.020 0.000 0.743 22 E HN 0.593 nan 8.360 nan 0.000 0.453 23 H N 1.233 120.284 119.070 -0.032 0.000 2.319 23 H HA -0.095 4.458 4.556 -0.005 0.000 0.299 23 H C 1.874 177.178 175.328 -0.039 0.000 1.092 23 H CA 2.103 58.135 56.048 -0.027 0.000 1.302 23 H CB 0.049 29.800 29.762 -0.018 0.000 1.373 23 H HN 0.037 nan 8.280 nan 0.000 0.497 24 N N 0.055 118.737 118.700 -0.029 0.000 2.120 24 N HA -0.133 4.604 4.740 -0.005 0.000 0.188 24 N C 2.130 177.537 175.510 -0.172 0.000 1.024 24 N CA 1.420 54.400 53.050 -0.117 0.000 0.852 24 N CB -0.459 37.973 38.487 -0.092 0.000 1.003 24 N HN 0.263 nan 8.380 nan 0.000 0.424 25 V N 2.000 121.826 119.914 -0.148 0.000 2.427 25 V HA -0.163 3.954 4.120 -0.005 0.000 0.248 25 V C 2.323 178.343 176.094 -0.123 0.000 1.051 25 V CA 1.351 63.568 62.300 -0.138 0.000 1.048 25 V CB -0.387 31.365 31.823 -0.118 0.000 0.666 25 V HN 0.291 nan 8.190 nan 0.000 0.456 26 R N -0.126 120.292 120.500 -0.137 0.000 2.081 26 R HA -0.119 4.218 4.340 -0.005 0.000 0.235 26 R C 2.237 178.457 176.300 -0.134 0.000 1.131 26 R CA 1.498 57.522 56.100 -0.126 0.000 0.960 26 R CB -0.711 29.514 30.300 -0.124 0.000 0.856 26 R HN 0.441 nan 8.270 nan 0.000 0.436 27 V N 1.739 121.531 119.914 -0.204 0.000 2.358 27 V HA -0.205 3.912 4.120 -0.005 0.000 0.246 27 V C 2.371 178.487 176.094 0.037 0.000 1.047 27 V CA 1.543 63.782 62.300 -0.103 0.000 1.035 27 V CB -0.459 31.268 31.823 -0.161 0.000 0.658 27 V HN 0.229 nan 8.190 nan 0.000 0.452 28 L N -0.599 120.598 121.223 -0.044 0.000 2.083 28 L HA -0.162 4.175 4.340 -0.005 0.000 0.209 28 L C 2.770 179.641 176.870 0.002 0.000 1.083 28 L CA 1.629 56.451 54.840 -0.030 0.000 0.752 28 L CB -0.561 41.440 42.059 -0.098 0.000 0.899 28 L HN 0.204 nan 8.230 nan 0.000 0.433 29 R N -0.026 120.455 120.500 -0.033 0.000 2.091 29 R HA -0.182 4.155 4.340 -0.005 0.000 0.238 29 R C 2.212 178.501 176.300 -0.017 0.000 1.136 29 R CA 1.623 57.704 56.100 -0.032 0.000 0.959 29 R CB -0.290 29.984 30.300 -0.044 0.000 0.856 29 R HN 0.468 nan 8.270 nan 0.000 0.437 30 E N -0.525 119.665 120.200 -0.017 0.000 2.051 30 E HA -0.185 4.162 4.350 -0.005 0.000 0.192 30 E C 1.941 178.511 176.600 -0.051 0.000 0.991 30 E CA 1.000 57.372 56.400 -0.046 0.000 0.799 30 E CB -0.143 29.509 29.700 -0.080 0.000 0.748 30 E HN 0.522 nan 8.360 nan 0.000 0.449 31 H N -0.227 118.812 119.070 -0.052 0.000 2.457 31 H HA 0.025 4.582 4.556 0.002 0.000 0.294 31 H C 1.880 177.180 175.328 -0.047 0.000 1.064 31 H CA 1.109 57.132 56.048 -0.041 0.000 1.330 31 H CB 0.154 29.892 29.762 -0.041 0.000 1.395 31 H HN 0.163 nan 8.280 nan 0.000 0.541 32 A N 0.618 123.469 122.820 0.053 0.000 2.208 32 A HA 0.218 4.535 4.320 -0.005 0.000 0.209 32 A C 2.036 179.563 177.584 -0.096 0.000 1.161 32 A CA 1.062 53.081 52.037 -0.030 0.000 0.782 32 A CB -0.403 18.564 19.000 -0.056 0.000 0.816 32 A HN 0.533 nan 8.150 nan 0.000 0.477 33 G N 0.809 109.584 108.800 -0.042 0.000 2.686 33 G HA2 -0.482 3.475 3.960 -0.005 0.000 0.329 33 G HA3 -0.482 3.475 3.960 -0.005 0.000 0.329 33 G C 1.112 176.008 174.900 -0.008 0.000 1.187 33 G CA 1.228 46.324 45.100 -0.008 0.000 0.965 33 G HN 1.173 nan 8.290 nan 0.000 0.549 34 H N 1.472 120.547 119.070 0.009 0.000 2.525 34 H HA 0.585 5.135 4.556 -0.010 0.000 0.275 34 H C 1.525 176.868 175.328 0.024 0.000 0.984 34 H CA 1.253 57.309 56.048 0.013 0.000 1.264 34 H CB -0.663 29.107 29.762 0.013 0.000 1.432 34 H HN 1.120 nan 8.280 nan 0.000 0.549 35 A N 2.668 125.129 122.820 -0.598 0.000 2.407 35 A HA 0.154 4.471 4.320 -0.005 0.000 0.248 35 A C 0.388 177.902 177.584 -0.117 0.000 1.082 35 A CA -0.496 51.344 52.037 -0.328 0.000 0.785 35 A CB 0.581 19.377 19.000 -0.341 0.000 1.020 35 A HN 0.360 nan 8.150 nan 0.000 0.489 36 Q N -0.180 119.592 119.800 -0.045 0.000 2.318 36 Q HA 0.395 4.732 4.340 -0.005 0.000 0.222 36 Q C -0.951 175.020 176.000 -0.050 0.000 1.003 36 Q CA -0.366 55.417 55.803 -0.032 0.000 0.936 36 Q CB 1.305 30.038 28.738 -0.008 0.000 1.204 36 Q HN 0.628 nan 8.270 nan 0.000 0.524 37 L N 1.504 122.697 121.223 -0.049 0.000 2.287 37 L HA 0.404 4.741 4.340 -0.005 0.000 0.287 37 L C -0.524 176.309 176.870 -0.061 0.000 1.022 37 L CA -0.074 54.730 54.840 -0.060 0.000 0.814 37 L CB 1.047 43.068 42.059 -0.063 0.000 1.217 37 L HN 0.542 nan 8.230 nan 0.000 0.420 38 M N 5.358 124.914 119.600 -0.073 0.000 2.069 38 M HA 0.514 4.991 4.480 -0.005 0.000 0.349 38 M C -0.315 175.965 176.300 -0.034 0.000 1.194 38 M CA -0.478 54.789 55.300 -0.055 0.000 1.081 38 M CB 0.824 33.374 32.600 -0.084 0.000 1.500 38 M HN 0.728 nan 8.290 nan 0.000 0.438 39 A N 5.144 127.939 122.820 -0.040 0.000 2.409 39 A HA 0.498 4.815 4.320 -0.005 0.000 0.267 39 A C -0.457 177.124 177.584 -0.004 0.000 1.127 39 A CA -0.528 51.469 52.037 -0.067 0.000 0.795 39 A CB 0.244 19.180 19.000 -0.107 0.000 1.061 39 A HN 0.682 nan 8.150 nan 0.000 0.502 40 V N 4.089 124.012 119.914 0.015 0.000 2.385 40 V HA 0.293 4.410 4.120 -0.005 0.000 0.269 40 V C 0.808 176.989 176.094 0.144 0.000 1.043 40 V CA 0.230 62.622 62.300 0.153 0.000 0.906 40 V CB 1.084 33.080 31.823 0.289 0.000 0.995 40 V HN 1.001 nan 8.190 nan 0.000 0.467 41 V N 2.222 122.236 119.914 0.167 0.000 3.070 41 V HA 0.300 4.417 4.120 -0.005 0.000 0.345 41 V C 0.716 176.933 176.094 0.206 0.000 1.403 41 V CA -0.600 61.825 62.300 0.207 0.000 1.155 41 V CB -0.520 31.379 31.823 0.127 0.000 1.140 41 V HN 0.850 nan 8.190 nan 0.000 0.505 42 K N 1.196 121.735 120.400 0.232 0.000 2.229 42 K HA 0.507 4.824 4.320 -0.005 0.000 0.250 42 K C 0.765 177.484 176.600 0.197 0.000 1.016 42 K CA 0.418 56.795 56.287 0.150 0.000 0.866 42 K CB 0.172 32.748 32.500 0.127 0.000 1.028 42 K HN 1.354 nan 8.250 nan 0.000 0.514 43 A N 1.372 124.244 122.820 0.086 0.000 2.466 43 A HA -0.192 4.125 4.320 -0.005 0.000 0.295 43 A C 0.201 177.838 177.584 0.088 0.000 1.465 43 A CA 1.220 53.289 52.037 0.055 0.000 0.744 43 A CB -2.263 16.733 19.000 -0.007 0.000 1.098 43 A HN 1.001 nan 8.150 nan 0.000 0.402 44 D N -1.923 118.530 120.400 0.089 0.000 2.697 44 D HA 0.011 4.648 4.640 -0.005 0.000 0.235 44 D C 1.285 177.676 176.300 0.152 0.000 1.167 44 D CA 2.863 56.925 54.000 0.102 0.000 0.656 44 D CB -1.315 39.532 40.800 0.079 0.000 1.025 44 D HN 2.447 nan 8.370 nan 0.000 0.419 45 G N 1.013 109.930 108.800 0.196 0.000 2.272 45 G HA2 -0.353 3.604 3.960 -0.005 0.000 0.280 45 G HA3 -0.353 3.604 3.960 -0.005 0.000 0.280 45 G C 0.425 175.363 174.900 0.064 0.000 1.067 45 G CA 0.286 45.528 45.100 0.236 0.000 0.902 45 G HN 0.725 nan 8.290 nan 0.000 0.500 46 Y N -2.220 117.979 120.300 -0.168 0.000 3.491 46 Y HA -0.185 4.362 4.550 -0.005 0.000 0.215 46 Y C 2.155 178.028 175.900 -0.044 0.000 1.219 46 Y CA 1.991 59.947 58.100 -0.241 0.000 1.485 46 Y CB -1.677 36.338 38.460 -0.741 0.000 1.450 46 Y HN 2.085 nan 8.280 nan 0.000 0.603 47 G N -1.638 107.239 108.800 0.128 0.000 2.179 47 G HA2 -0.407 3.550 3.960 -0.005 0.000 0.260 47 G HA3 -0.407 3.550 3.960 -0.005 0.000 0.260 47 G C 0.537 175.443 174.900 0.010 0.000 0.977 47 G CA 0.627 45.760 45.100 0.055 0.000 0.641 47 G HN 0.625 nan 8.290 nan 0.000 0.533 48 H N 0.281 119.348 119.070 -0.004 0.000 2.551 48 H HA 0.472 5.026 4.556 -0.004 0.000 0.271 48 H C 1.513 176.959 175.328 0.197 0.000 0.984 48 H CA 0.992 57.084 56.048 0.073 0.000 1.164 48 H CB 0.541 30.389 29.762 0.144 0.000 1.437 48 H HN 1.487 nan 8.280 nan 0.000 0.550 49 G N 0.452 109.422 108.800 0.284 0.000 3.251 49 G HA2 0.017 3.974 3.960 -0.005 0.000 0.680 49 G HA3 0.017 3.974 3.960 -0.005 0.000 0.680 49 G C 0.844 175.881 174.900 0.227 0.000 1.129 49 G CA -0.075 45.196 45.100 0.284 0.000 0.994 49 G HN 0.483 nan 8.290 nan 0.000 0.450 50 A N 2.308 125.223 122.820 0.159 0.000 1.877 50 A HA 0.076 4.393 4.320 -0.005 0.000 0.216 50 A C 2.630 180.263 177.584 0.081 0.000 1.186 50 A CA 2.944 55.058 52.037 0.127 0.000 0.620 50 A CB -0.758 18.297 19.000 0.091 0.000 0.822 50 A HN 1.329 nan 8.150 nan 0.000 0.443 51 T N -0.510 114.073 114.554 0.049 0.000 2.674 51 T HA -0.129 4.218 4.350 -0.005 0.000 0.265 51 T C 2.185 176.868 174.700 -0.028 0.000 1.039 51 T CA 1.374 63.477 62.100 0.006 0.000 1.150 51 T CB -0.235 68.628 68.868 -0.009 0.000 0.864 51 T HN 0.281 nan 8.240 nan 0.000 0.427 52 R N 0.640 121.099 120.500 -0.069 0.000 2.073 52 R HA 0.003 4.340 4.340 -0.005 0.000 0.234 52 R C 2.520 178.789 176.300 -0.052 0.000 1.134 52 R CA 0.825 56.820 56.100 -0.174 0.000 0.952 52 R CB -1.177 28.785 30.300 -0.562 0.000 0.850 52 R HN 0.318 nan 8.270 nan 0.000 0.433 53 V N 1.102 121.055 119.914 0.065 0.000 2.407 53 V HA -0.211 3.906 4.120 -0.005 0.000 0.248 53 V C 2.517 178.618 176.094 0.010 0.000 1.055 53 V CA 1.739 64.086 62.300 0.078 0.000 1.049 53 V CB -0.836 31.098 31.823 0.183 0.000 0.662 53 V HN 0.316 nan 8.190 nan 0.000 0.455 54 A N -0.698 122.131 122.820 0.014 0.000 1.902 54 A HA -0.287 4.030 4.320 -0.005 0.000 0.217 54 A C 2.194 179.763 177.584 -0.024 0.000 1.181 54 A CA 1.947 53.979 52.037 -0.008 0.000 0.623 54 A CB -0.470 18.531 19.000 0.002 0.000 0.818 54 A HN 0.605 nan 8.150 nan 0.000 0.443 55 Q N -0.922 118.860 119.800 -0.031 0.000 2.061 55 Q HA -0.143 4.194 4.340 -0.005 0.000 0.204 55 Q C 2.245 178.223 176.000 -0.036 0.000 0.984 55 Q CA 2.102 57.883 55.803 -0.037 0.000 0.846 55 Q CB -0.446 28.261 28.738 -0.053 0.000 0.902 55 Q HN 0.683 nan 8.270 nan 0.000 0.421 56 T N 0.796 115.327 114.554 -0.037 0.000 2.746 56 T HA -0.151 4.196 4.350 -0.005 0.000 0.267 56 T C 1.904 176.580 174.700 -0.039 0.000 1.039 56 T CA 1.236 63.317 62.100 -0.031 0.000 1.142 56 T CB -0.322 68.536 68.868 -0.017 0.000 0.866 56 T HN 0.399 nan 8.240 nan 0.000 0.444 57 A N 1.074 123.862 122.820 -0.053 0.000 1.933 57 A HA 0.040 4.357 4.320 -0.005 0.000 0.218 57 A C 2.298 179.849 177.584 -0.055 0.000 1.175 57 A CA 1.138 53.132 52.037 -0.072 0.000 0.628 57 A CB -0.789 18.151 19.000 -0.100 0.000 0.814 57 A HN 0.464 nan 8.150 nan 0.000 0.444 58 L N -0.770 120.428 121.223 -0.042 0.000 2.027 58 L HA -0.082 4.255 4.340 -0.005 0.000 0.206 58 L C 2.814 179.667 176.870 -0.028 0.000 1.074 58 L CA 1.078 55.898 54.840 -0.032 0.000 0.745 58 L CB -0.809 41.235 42.059 -0.025 0.000 0.898 58 L HN 0.464 nan 8.230 nan 0.000 0.433 59 G N -0.476 108.308 108.800 -0.027 0.000 2.479 59 G HA2 -0.192 3.765 3.960 -0.005 0.000 0.220 59 G HA3 -0.192 3.765 3.960 -0.005 0.000 0.220 59 G C 1.341 176.228 174.900 -0.023 0.000 1.115 59 G CA 0.745 45.832 45.100 -0.023 0.000 0.757 59 G HN 0.469 nan 8.290 nan 0.000 0.560 60 A N -0.765 122.037 122.820 -0.030 0.000 2.423 60 A HA 0.548 4.865 4.320 -0.005 0.000 0.246 60 A C 1.703 179.266 177.584 -0.036 0.000 1.278 60 A CA 0.995 53.013 52.037 -0.031 0.000 0.903 60 A CB -0.224 18.754 19.000 -0.037 0.000 0.997 60 A HN 1.465 nan 8.150 nan 0.000 0.510 61 G N -1.758 107.023 108.800 -0.032 0.000 2.184 61 G HA2 0.139 4.096 3.960 -0.005 0.000 0.206 61 G HA3 0.139 4.096 3.960 -0.005 0.000 0.206 61 G C 0.541 175.421 174.900 -0.034 0.000 0.995 61 G CA 0.028 45.111 45.100 -0.030 0.000 0.651 61 G HN 1.564 nan 8.290 nan 0.000 0.511 62 A N 0.191 122.985 122.820 -0.044 0.000 2.507 62 A HA 0.729 5.046 4.320 -0.005 0.000 0.235 62 A C 1.630 179.195 177.584 -0.032 0.000 1.070 62 A CA 1.205 53.214 52.037 -0.046 0.000 0.768 62 A CB 0.527 19.492 19.000 -0.058 0.000 1.011 62 A HN 1.758 nan 8.150 nan 0.000 0.502 63 A N 1.167 123.970 122.820 -0.029 0.000 2.014 63 A HA 0.319 4.636 4.320 -0.005 0.000 0.210 63 A C 0.754 178.330 177.584 -0.014 0.000 1.188 63 A CA 0.854 52.881 52.037 -0.017 0.000 0.731 63 A CB 0.027 19.021 19.000 -0.011 0.000 0.858 63 A HN 0.844 nan 8.150 nan 0.000 0.464 64 E N -1.369 118.820 120.200 -0.019 0.000 2.433 64 E HA 0.665 5.012 4.350 -0.005 0.000 0.273 64 E C -1.709 174.885 176.600 -0.009 0.000 0.950 64 E CA -0.783 55.611 56.400 -0.010 0.000 0.796 64 E CB 1.713 31.407 29.700 -0.009 0.000 1.330 64 E HN 0.189 nan 8.360 nan 0.000 0.455 65 L N 0.410 121.635 121.223 0.004 0.000 2.346 65 L HA 0.708 5.045 4.340 -0.005 0.000 0.274 65 L C 0.058 176.949 176.870 0.035 0.000 1.007 65 L CA -0.858 53.989 54.840 0.011 0.000 0.818 65 L CB 2.013 44.072 42.059 -0.000 0.000 1.284 65 L HN 0.596 nan 8.230 nan 0.000 0.424 66 G N 1.241 110.082 108.800 0.067 0.000 2.513 66 G HA2 0.709 4.666 3.960 -0.005 0.000 0.317 66 G HA3 0.709 4.666 3.960 -0.005 0.000 0.317 66 G C -1.015 173.796 174.900 -0.147 0.000 1.277 66 G CA -0.503 44.656 45.100 0.097 0.000 0.955 66 G HN 0.538 nan 8.290 nan 0.000 0.484 67 V N -1.074 118.469 119.914 -0.617 0.000 3.181 67 V HA 0.881 4.998 4.120 -0.005 0.000 0.308 67 V C 0.849 176.128 176.094 -1.359 0.000 1.214 67 V CA -0.120 61.784 62.300 -0.660 0.000 1.053 67 V CB 1.206 32.842 31.823 -0.311 0.000 1.069 67 V HN 1.146 nan 8.190 nan 0.000 0.441 68 A N 1.004 123.307 122.820 -0.862 0.000 1.843 68 A HA 0.320 4.637 4.320 -0.005 0.000 0.213 68 A C 1.355 178.585 177.584 -0.591 0.000 1.202 68 A CA 1.637 53.127 52.037 -0.911 0.000 0.607 68 A CB -0.743 18.077 19.000 -0.299 0.000 0.847 68 A HN 1.639 nan 8.150 nan 0.000 0.445 69 T N -4.054 110.312 114.554 -0.313 0.000 2.943 69 T HA 0.477 4.824 4.350 -0.005 0.000 0.284 69 T C 0.885 175.543 174.700 -0.070 0.000 1.015 69 T CA -0.068 61.940 62.100 -0.153 0.000 1.042 69 T CB 1.574 70.396 68.868 -0.076 0.000 1.055 69 T HN 0.045 nan 8.240 nan 0.000 0.500 70 V N 1.377 121.326 119.914 0.058 0.000 2.490 70 V HA -0.132 3.985 4.120 -0.005 0.000 0.250 70 V C 2.354 178.463 176.094 0.025 0.000 1.061 70 V CA 1.924 64.272 62.300 0.080 0.000 1.064 70 V CB -0.798 31.116 31.823 0.151 0.000 0.670 70 V HN 0.877 nan 8.190 nan 0.000 0.461 71 D N 0.072 120.478 120.400 0.010 0.000 2.104 71 D HA -0.191 4.446 4.640 -0.005 0.000 0.194 71 D C 2.200 178.493 176.300 -0.010 0.000 0.994 71 D CA 1.419 55.419 54.000 -0.000 0.000 0.830 71 D CB -0.186 40.612 40.800 -0.004 0.000 0.959 71 D HN 0.553 nan 8.370 nan 0.000 0.452 72 E N 0.407 120.589 120.200 -0.030 0.000 2.118 72 E HA -0.148 4.199 4.350 -0.005 0.000 0.195 72 E C 2.052 178.633 176.600 -0.031 0.000 0.992 72 E CA 1.031 57.409 56.400 -0.035 0.000 0.804 72 E CB -0.024 29.635 29.700 -0.069 0.000 0.741 72 E HN 0.218 nan 8.360 nan 0.000 0.458 73 A N 0.870 123.669 122.820 -0.035 0.000 1.898 73 A HA -0.125 4.192 4.320 -0.005 0.000 0.216 73 A C 2.144 179.726 177.584 -0.004 0.000 1.181 73 A CA 0.926 52.949 52.037 -0.023 0.000 0.620 73 A CB -0.529 18.463 19.000 -0.014 0.000 0.819 73 A HN 0.133 nan 8.150 nan 0.000 0.442 74 L N -0.727 120.498 121.223 0.004 0.000 2.201 74 L HA -0.145 4.192 4.340 -0.005 0.000 0.212 74 L C 2.976 179.849 176.870 0.005 0.000 1.105 74 L CA 0.862 55.707 54.840 0.008 0.000 0.775 74 L CB -0.509 41.558 42.059 0.012 0.000 0.913 74 L HN 0.426 nan 8.230 nan 0.000 0.440 75 A N 0.218 123.040 122.820 0.003 0.000 1.930 75 A HA -0.110 4.207 4.320 -0.005 0.000 0.217 75 A C 2.273 179.860 177.584 0.005 0.000 1.175 75 A CA 1.100 53.140 52.037 0.005 0.000 0.627 75 A CB -0.555 18.449 19.000 0.007 0.000 0.815 75 A HN 0.324 nan 8.150 nan 0.000 0.443 76 L N -0.848 120.377 121.223 0.003 0.000 2.042 76 L HA -0.222 4.115 4.340 -0.005 0.000 0.210 76 L C 2.907 179.777 176.870 0.000 0.000 1.076 76 L CA 1.352 56.193 54.840 0.001 0.000 0.749 76 L CB -0.454 41.604 42.059 -0.001 0.000 0.893 76 L HN 0.332 nan 8.230 nan 0.000 0.432 77 R N -0.151 120.350 120.500 0.002 0.000 2.075 77 R HA -0.080 4.257 4.340 -0.005 0.000 0.232 77 R C 2.255 178.556 176.300 0.002 0.000 1.126 77 R CA 1.372 57.473 56.100 0.003 0.000 0.963 77 R CB -0.615 29.689 30.300 0.006 0.000 0.858 77 R HN 0.349 nan 8.270 nan 0.000 0.435 78 A N 1.146 123.968 122.820 0.003 0.000 2.125 78 A HA -0.125 4.192 4.320 -0.005 0.000 0.219 78 A C 1.029 178.613 177.584 0.001 0.000 1.156 78 A CA 1.301 53.339 52.037 0.003 0.000 0.671 78 A CB -0.114 18.888 19.000 0.004 0.000 0.794 78 A HN 0.100 nan 8.150 nan 0.000 0.459 79 D N -1.210 119.189 120.400 -0.001 0.000 2.325 79 D HA 0.309 4.946 4.640 -0.005 0.000 0.225 79 D C 1.338 177.633 176.300 -0.008 0.000 1.096 79 D CA 0.969 54.966 54.000 -0.005 0.000 0.844 79 D CB 0.017 40.814 40.800 -0.006 0.000 0.925 79 D HN 0.513 nan 8.370 nan 0.000 0.513 80 G N 0.597 109.394 108.800 -0.005 0.000 2.159 80 G HA2 -0.261 3.696 3.960 -0.005 0.000 0.256 80 G HA3 -0.261 3.696 3.960 -0.005 0.000 0.256 80 G C 0.381 175.277 174.900 -0.007 0.000 0.977 80 G CA -0.348 44.748 45.100 -0.006 0.000 0.652 80 G HN 0.279 nan 8.290 nan 0.000 0.531 81 I N 2.084 122.650 120.570 -0.006 0.000 2.618 81 I HA 0.223 4.390 4.170 -0.005 0.000 0.284 81 I C 1.804 177.919 176.117 -0.003 0.000 1.146 81 I CA 1.488 62.784 61.300 -0.006 0.000 1.425 81 I CB 0.835 38.832 38.000 -0.006 0.000 1.383 81 I HN 0.344 nan 8.210 nan 0.000 0.562 82 T N 1.678 116.230 114.554 -0.003 0.000 2.975 82 T HA 0.344 4.691 4.350 -0.005 0.000 0.257 82 T C 0.804 175.505 174.700 0.002 0.000 1.003 82 T CA -0.033 62.067 62.100 0.000 0.000 0.932 82 T CB 0.330 69.198 68.868 0.000 0.000 1.087 82 T HN 0.581 nan 8.240 nan 0.000 0.512 83 A N 2.830 125.650 122.820 -0.000 0.000 2.409 83 A HA 0.561 4.878 4.320 -0.005 0.000 0.246 83 A C -2.357 175.230 177.584 0.005 0.000 1.099 83 A CA -1.126 50.911 52.037 0.001 0.000 0.789 83 A CB -0.561 18.436 19.000 -0.003 0.000 1.053 83 A HN 0.282 nan 8.150 nan 0.000 0.503 84 P HA 0.338 nan 4.420 nan 0.000 0.268 84 P C -1.108 176.201 177.300 0.015 0.000 1.204 84 P CA 0.081 63.190 63.100 0.016 0.000 0.768 84 P CB 0.706 32.419 31.700 0.022 0.000 0.842 85 V N 4.271 124.197 119.914 0.019 0.000 2.577 85 V HA 0.376 4.493 4.120 -0.005 0.000 0.303 85 V C -0.352 175.758 176.094 0.027 0.000 1.042 85 V CA -0.663 61.644 62.300 0.013 0.000 0.872 85 V CB 1.783 33.605 31.823 -0.002 0.000 0.998 85 V HN 0.351 nan 8.190 nan 0.000 0.423 86 L N 4.455 125.701 121.223 0.039 0.000 2.329 86 L HA 0.987 5.324 4.340 -0.005 0.000 0.279 86 L C 0.008 176.866 176.870 -0.019 0.000 1.014 86 L CA -0.093 54.798 54.840 0.085 0.000 0.814 86 L CB 1.586 43.766 42.059 0.201 0.000 1.257 86 L HN 0.806 nan 8.230 nan 0.000 0.424 87 A N 3.760 126.589 122.820 0.015 0.000 2.371 87 A HA 0.670 4.987 4.320 -0.005 0.000 0.311 87 A C -0.924 176.704 177.584 0.073 0.000 1.068 87 A CA -0.274 51.675 52.037 -0.146 0.000 0.744 87 A CB 0.686 19.678 19.000 -0.014 0.000 1.239 87 A HN 1.015 nan 8.150 nan 0.000 0.435 88 W N 1.417 122.671 121.300 -0.077 0.000 2.324 88 W HA 0.552 5.209 4.660 -0.004 0.000 0.316 88 W C -0.940 175.304 176.519 -0.458 0.000 0.927 88 W CA -0.664 56.581 57.345 -0.168 0.000 1.438 88 W CB -0.056 29.360 29.460 -0.074 0.000 1.085 88 W HN 0.449 nan 8.180 nan 0.000 0.532 89 L N 3.690 124.594 121.223 -0.532 0.000 2.377 89 L HA 0.541 4.878 4.340 -0.005 0.000 0.270 89 L C -1.155 175.438 176.870 -0.462 0.000 0.991 89 L CA -0.978 53.655 54.840 -0.344 0.000 0.851 89 L CB 0.268 42.282 42.059 -0.074 0.000 1.218 89 L HN 0.081 nan 8.230 nan 0.000 0.420 90 H N 4.565 123.700 119.070 0.109 0.000 2.600 90 H HA 0.560 5.113 4.556 -0.005 0.000 0.357 90 H C -2.440 172.904 175.328 0.026 0.000 1.106 90 H CA -1.890 54.204 56.048 0.076 0.000 1.193 90 H CB 1.402 31.270 29.762 0.176 0.000 1.594 90 H HN 0.461 nan 8.280 nan 0.000 0.526 91 P HA 0.072 nan 4.420 nan 0.000 0.269 91 P C -2.522 174.785 177.300 0.011 0.000 1.209 91 P CA -1.172 61.946 63.100 0.029 0.000 0.776 91 P CB 0.010 31.704 31.700 -0.009 0.000 0.876 92 P HA 0.030 nan 4.420 nan 0.000 0.268 92 P C 0.848 178.130 177.300 -0.029 0.000 1.204 92 P CA 0.727 63.831 63.100 0.007 0.000 0.768 92 P CB 0.267 31.977 31.700 0.017 0.000 0.842 93 G N 2.813 111.586 108.800 -0.045 0.000 2.179 93 G HA2 -0.295 3.662 3.960 -0.005 0.000 0.260 93 G HA3 -0.295 3.662 3.960 -0.005 0.000 0.260 93 G C 0.251 175.070 174.900 -0.135 0.000 0.977 93 G CA 0.041 45.105 45.100 -0.060 0.000 0.641 93 G HN 0.671 nan 8.290 nan 0.000 0.533 94 I N 1.366 121.792 120.570 -0.241 0.000 2.845 94 I HA 0.244 4.411 4.170 -0.005 0.000 0.296 94 I C 0.243 176.094 176.117 -0.444 0.000 1.216 94 I CA 0.063 61.135 61.300 -0.380 0.000 1.438 94 I CB 0.501 38.138 38.000 -0.605 0.000 1.342 94 I HN 0.162 nan 8.210 nan 0.000 0.577 95 D N 6.642 126.875 120.400 -0.278 0.000 2.339 95 D HA 0.095 4.732 4.640 -0.005 0.000 0.241 95 D C 0.217 176.406 176.300 -0.184 0.000 1.183 95 D CA 0.007 53.902 54.000 -0.174 0.000 0.859 95 D CB 0.447 41.209 40.800 -0.065 0.000 1.067 95 D HN 0.378 nan 8.370 nan 0.000 0.484 96 F N 2.234 122.171 119.950 -0.021 0.000 2.811 96 F HA 0.215 4.739 4.527 -0.005 0.000 0.301 96 F C 2.265 178.053 175.800 -0.019 0.000 1.151 96 F CA 0.147 58.123 58.000 -0.041 0.000 1.412 96 F CB -0.121 38.837 39.000 -0.070 0.000 1.113 96 F HN 0.549 nan 8.300 nan 0.000 0.579 97 G N 1.443 110.321 108.800 0.129 0.000 2.480 97 G HA2 -0.237 3.720 3.960 -0.005 0.000 0.216 97 G HA3 -0.237 3.720 3.960 -0.005 0.000 0.216 97 G C -0.466 174.476 174.900 0.069 0.000 1.200 97 G CA 0.726 45.879 45.100 0.087 0.000 0.782 97 G HN 0.217 nan 8.290 nan 0.000 0.554 98 P HA -0.054 nan 4.420 nan 0.000 0.216 98 P C 2.144 179.477 177.300 0.056 0.000 1.150 98 P CA 1.928 65.054 63.100 0.043 0.000 0.837 98 P CB -0.129 31.588 31.700 0.029 0.000 0.786 99 A N -0.617 122.256 122.820 0.088 0.000 1.877 99 A HA -0.166 4.151 4.320 -0.005 0.000 0.216 99 A C 2.197 179.818 177.584 0.061 0.000 1.186 99 A CA 1.423 53.514 52.037 0.089 0.000 0.620 99 A CB -1.616 17.473 19.000 0.148 0.000 0.822 99 A HN 0.111 nan 8.150 nan 0.000 0.443 100 L N -0.758 120.504 121.223 0.064 0.000 2.046 100 L HA -0.164 4.173 4.340 -0.005 0.000 0.208 100 L C 2.556 179.444 176.870 0.030 0.000 1.077 100 L CA 1.008 55.870 54.840 0.037 0.000 0.747 100 L CB -0.539 41.542 42.059 0.037 0.000 0.896 100 L HN 0.368 nan 8.230 nan 0.000 0.432 101 L N -0.282 120.962 121.223 0.034 0.000 2.141 101 L HA -0.134 4.203 4.340 -0.005 0.000 0.209 101 L C 2.270 179.153 176.870 0.022 0.000 1.094 101 L CA 0.949 55.804 54.840 0.026 0.000 0.763 101 L CB -0.430 41.644 42.059 0.026 0.000 0.908 101 L HN 0.224 nan 8.230 nan 0.000 0.437 102 A N -1.501 121.334 122.820 0.025 0.000 2.370 102 A HA 0.015 4.331 4.320 -0.005 0.000 0.238 102 A C 0.503 178.099 177.584 0.020 0.000 1.289 102 A CA 0.082 52.132 52.037 0.021 0.000 0.885 102 A CB -0.288 18.725 19.000 0.022 0.000 0.961 102 A HN 0.436 nan 8.150 nan 0.000 0.499 103 D N -1.030 119.382 120.400 0.021 0.000 2.723 103 D HA -0.130 4.507 4.640 -0.005 0.000 0.236 103 D C -0.517 175.796 176.300 0.021 0.000 1.138 103 D CA 0.856 54.867 54.000 0.019 0.000 0.676 103 D CB -1.562 39.248 40.800 0.016 0.000 1.069 103 D HN 0.199 nan 8.370 nan 0.000 0.430 104 V N 1.405 121.335 119.914 0.026 0.000 2.432 104 V HA 0.228 4.345 4.120 -0.005 0.000 0.275 104 V C 1.005 177.116 176.094 0.028 0.000 1.043 104 V CA -0.494 61.824 62.300 0.030 0.000 0.925 104 V CB 1.623 33.470 31.823 0.040 0.000 0.985 104 V HN 0.127 nan 8.190 nan 0.000 0.466 105 Q N 2.759 122.581 119.800 0.036 0.000 2.364 105 Q HA 0.438 4.775 4.340 -0.005 0.000 0.267 105 Q C -0.790 175.239 176.000 0.048 0.000 0.999 105 Q CA -0.190 55.637 55.803 0.041 0.000 0.886 105 Q CB 1.373 30.154 28.738 0.072 0.000 1.243 105 Q HN 0.564 nan 8.270 nan 0.000 0.415 106 V N 1.465 121.379 119.914 0.001 0.000 2.487 106 V HA 0.576 4.693 4.120 -0.005 0.000 0.298 106 V C -0.543 175.578 176.094 0.045 0.000 1.028 106 V CA -0.792 61.487 62.300 -0.034 0.000 0.860 106 V CB 1.593 33.196 31.823 -0.367 0.000 0.991 106 V HN 0.847 nan 8.190 nan 0.000 0.427 107 A N 4.925 127.884 122.820 0.232 0.000 2.274 107 A HA 0.806 5.123 4.320 -0.005 0.000 0.309 107 A C -0.274 177.460 177.584 0.249 0.000 1.226 107 A CA -0.485 51.688 52.037 0.226 0.000 0.853 107 A CB 1.110 20.282 19.000 0.287 0.000 1.146 107 A HN 1.262 nan 8.150 nan 0.000 0.518 108 V N 1.383 121.364 119.914 0.112 0.000 2.547 108 V HA 0.789 4.906 4.120 -0.005 0.000 0.299 108 V C 0.484 176.640 176.094 0.103 0.000 1.040 108 V CA 0.257 62.623 62.300 0.109 0.000 0.913 108 V CB 1.442 33.276 31.823 0.018 0.000 0.992 108 V HN 1.202 nan 8.190 nan 0.000 0.449 109 S N 0.903 116.679 115.700 0.126 0.000 2.730 109 S HA 0.474 4.941 4.470 -0.005 0.000 0.244 109 S C 0.344 174.991 174.600 0.078 0.000 1.022 109 S CA 0.253 58.501 58.200 0.080 0.000 1.014 109 S CB -0.395 62.851 63.200 0.076 0.000 0.963 109 S HN 1.872 nan 8.310 nan 0.000 0.540 110 S N -0.189 115.563 115.700 0.086 0.000 2.588 110 S HA 0.576 5.043 4.470 -0.005 0.000 0.269 110 S C 0.296 174.934 174.600 0.063 0.000 1.157 110 S CA -0.920 57.326 58.200 0.076 0.000 0.824 110 S CB 0.342 63.588 63.200 0.077 0.000 1.126 110 S HN 0.088 nan 8.310 nan 0.000 0.464 111 L N 1.094 122.349 121.223 0.054 0.000 2.046 111 L HA 0.023 4.360 4.340 -0.005 0.000 0.208 111 L C 3.014 179.896 176.870 0.020 0.000 1.077 111 L CA 1.372 56.232 54.840 0.033 0.000 0.747 111 L CB -0.387 41.691 42.059 0.032 0.000 0.896 111 L HN 0.800 nan 8.230 nan 0.000 0.432 112 R N -0.009 120.509 120.500 0.031 0.000 2.081 112 R HA -0.222 4.115 4.340 -0.005 0.000 0.235 112 R C 2.270 178.587 176.300 0.029 0.000 1.131 112 R CA 1.799 57.912 56.100 0.022 0.000 0.960 112 R CB -0.197 30.125 30.300 0.037 0.000 0.856 112 R HN 0.435 nan 8.270 nan 0.000 0.436 113 Q N 0.152 119.994 119.800 0.071 0.000 2.170 113 Q HA -0.159 4.178 4.340 -0.005 0.000 0.203 113 Q C 2.117 178.160 176.000 0.072 0.000 0.976 113 Q CA 1.199 57.082 55.803 0.132 0.000 0.858 113 Q CB 0.001 28.848 28.738 0.181 0.000 0.907 113 Q HN 0.239 nan 8.270 nan 0.000 0.433 114 L N 0.834 122.063 121.223 0.010 0.000 2.093 114 L HA -0.158 4.179 4.340 -0.005 0.000 0.208 114 L C 1.344 178.166 176.870 -0.080 0.000 1.085 114 L CA 1.837 56.652 54.840 -0.042 0.000 0.755 114 L CB -0.343 41.698 42.059 -0.030 0.000 0.904 114 L HN 0.130 nan 8.230 nan 0.000 0.435 115 D N -0.142 120.194 120.400 -0.106 0.000 2.144 115 D HA -0.196 4.441 4.640 -0.005 0.000 0.199 115 D C 2.002 178.036 176.300 -0.444 0.000 0.984 115 D CA 1.449 55.282 54.000 -0.278 0.000 0.834 115 D CB -0.008 40.630 40.800 -0.269 0.000 0.955 115 D HN 0.556 nan 8.370 nan 0.000 0.465 116 E N 0.117 120.226 120.200 -0.152 0.000 2.077 116 E HA -0.145 4.202 4.350 -0.005 0.000 0.193 116 E C 2.065 178.775 176.600 0.184 0.000 0.989 116 E CA 0.333 56.741 56.400 0.013 0.000 0.800 116 E CB -0.044 29.753 29.700 0.163 0.000 0.746 116 E HN 0.110 nan 8.360 nan 0.000 0.452 117 L N 0.782 122.090 121.223 0.142 0.000 2.093 117 L HA -0.107 4.230 4.340 -0.005 0.000 0.208 117 L C 1.952 178.827 176.870 0.008 0.000 1.085 117 L CA 1.445 56.288 54.840 0.005 0.000 0.755 117 L CB -0.152 41.679 42.059 -0.380 0.000 0.904 117 L HN 0.101 nan 8.230 nan 0.000 0.435 118 L N -1.354 119.851 121.223 -0.031 0.000 2.141 118 L HA -0.202 4.135 4.340 -0.005 0.000 0.209 118 L C 2.451 179.396 176.870 0.126 0.000 1.094 118 L CA 1.177 56.026 54.840 0.014 0.000 0.763 118 L CB -0.753 41.302 42.059 -0.007 0.000 0.908 118 L HN 0.427 nan 8.230 nan 0.000 0.437 119 H N -0.523 118.579 119.070 0.053 0.000 2.353 119 H HA -0.147 4.406 4.556 -0.005 0.000 0.300 119 H C 2.320 177.681 175.328 0.055 0.000 1.090 119 H CA 0.830 56.907 56.048 0.049 0.000 1.327 119 H CB 0.108 29.902 29.762 0.052 0.000 1.383 119 H HN 0.402 nan 8.280 nan 0.000 0.508 120 A N 0.654 123.600 122.820 0.210 0.000 2.015 120 A HA -0.080 4.237 4.320 -0.005 0.000 0.219 120 A C 2.544 180.187 177.584 0.099 0.000 1.163 120 A CA 0.915 53.043 52.037 0.151 0.000 0.646 120 A CB -0.547 18.572 19.000 0.198 0.000 0.806 120 A HN 0.202 nan 8.150 nan 0.000 0.448 121 V N -0.225 119.737 119.914 0.081 0.000 2.490 121 V HA -0.239 3.878 4.120 -0.005 0.000 0.250 121 V C 2.698 178.821 176.094 0.048 0.000 1.061 121 V CA 2.257 64.585 62.300 0.047 0.000 1.064 121 V CB -0.748 31.090 31.823 0.025 0.000 0.670 121 V HN 0.466 nan 8.190 nan 0.000 0.461 122 R N -0.146 120.392 120.500 0.064 0.000 2.093 122 R HA 0.044 4.381 4.340 -0.005 0.000 0.224 122 R C 2.400 178.721 176.300 0.034 0.000 1.101 122 R CA 1.044 57.172 56.100 0.047 0.000 0.979 122 R CB -0.450 29.881 30.300 0.052 0.000 0.877 122 R HN 0.420 nan 8.270 nan 0.000 0.441 123 R N -0.630 119.895 120.500 0.042 0.000 2.115 123 R HA -0.059 4.278 4.340 -0.005 0.000 0.230 123 R C 1.663 177.979 176.300 0.028 0.000 1.111 123 R CA 1.844 57.962 56.100 0.030 0.000 0.976 123 R CB -0.165 30.157 30.300 0.038 0.000 0.870 123 R HN 0.401 nan 8.270 nan 0.000 0.445 124 T N -4.396 110.179 114.554 0.034 0.000 3.014 124 T HA 0.182 4.529 4.350 -0.005 0.000 0.250 124 T C 1.386 176.099 174.700 0.022 0.000 1.060 124 T CA 0.454 62.571 62.100 0.028 0.000 1.040 124 T CB 0.863 69.752 68.868 0.035 0.000 0.971 124 T HN 0.327 nan 8.240 nan 0.000 0.497 125 G N 1.873 110.686 108.800 0.022 0.000 2.168 125 G HA2 -0.249 3.708 3.960 -0.005 0.000 0.257 125 G HA3 -0.249 3.708 3.960 -0.005 0.000 0.257 125 G C 0.087 174.996 174.900 0.015 0.000 0.997 125 G CA -0.062 45.048 45.100 0.016 0.000 0.708 125 G HN 0.607 nan 8.290 nan 0.000 0.520 126 R N 0.713 121.223 120.500 0.018 0.000 2.295 126 R HA 0.394 4.731 4.340 -0.005 0.000 0.324 126 R C 0.202 176.508 176.300 0.009 0.000 0.968 126 R CA -0.261 55.848 56.100 0.014 0.000 0.837 126 R CB 0.742 31.053 30.300 0.018 0.000 1.133 126 R HN 0.171 nan 8.270 nan 0.000 0.450 127 T N 2.336 116.893 114.554 0.005 0.000 2.908 127 T HA 0.119 4.466 4.350 -0.005 0.000 0.301 127 T C 0.178 174.874 174.700 -0.007 0.000 1.019 127 T CA 0.245 62.344 62.100 -0.001 0.000 1.152 127 T CB 0.665 69.533 68.868 -0.000 0.000 0.966 127 T HN 0.556 nan 8.240 nan 0.000 0.540 128 A N 3.317 126.126 122.820 -0.018 0.000 2.301 128 A HA 0.555 4.872 4.320 -0.005 0.000 0.312 128 A C 0.567 178.139 177.584 -0.021 0.000 1.182 128 A CA -0.762 51.255 52.037 -0.035 0.000 0.826 128 A CB 0.532 19.486 19.000 -0.077 0.000 1.134 128 A HN 0.720 nan 8.150 nan 0.000 0.501 129 T N 2.530 117.078 114.554 -0.010 0.000 2.875 129 T HA 0.357 4.704 4.350 -0.005 0.000 0.307 129 T C -0.164 174.550 174.700 0.023 0.000 1.013 129 T CA 0.003 62.114 62.100 0.017 0.000 0.970 129 T CB 0.073 68.960 68.868 0.030 0.000 0.986 129 T HN 0.505 nan 8.240 nan 0.000 0.536 130 V N 3.675 123.609 119.914 0.033 0.000 2.713 130 V HA 0.634 4.751 4.120 -0.005 0.000 0.307 130 V C 0.057 176.220 176.094 0.115 0.000 1.052 130 V CA -0.214 62.110 62.300 0.041 0.000 0.967 130 V CB 2.147 33.977 31.823 0.011 0.000 1.019 130 V HN 0.832 nan 8.190 nan 0.000 0.459 131 T N 4.372 118.985 114.554 0.098 0.000 2.863 131 T HA 0.543 4.890 4.350 -0.005 0.000 0.285 131 T C -0.841 173.887 174.700 0.045 0.000 1.009 131 T CA -0.291 61.866 62.100 0.094 0.000 0.989 131 T CB 1.650 70.591 68.868 0.122 0.000 1.004 131 T HN 0.455 nan 8.240 nan 0.000 0.455 132 V N 3.581 123.470 119.914 -0.042 0.000 2.394 132 V HA 0.429 4.545 4.120 -0.005 0.000 0.282 132 V C 0.246 176.264 176.094 -0.127 0.000 1.031 132 V CA -0.748 61.525 62.300 -0.044 0.000 0.881 132 V CB 1.427 33.252 31.823 0.004 0.000 0.982 132 V HN 0.692 nan 8.190 nan 0.000 0.451 133 K N 4.719 125.070 120.400 -0.082 0.000 2.264 133 K HA 0.569 4.886 4.320 -0.005 0.000 0.277 133 K C -0.519 175.965 176.600 -0.194 0.000 1.067 133 K CA -0.458 55.742 56.287 -0.146 0.000 0.900 133 K CB 1.246 33.693 32.500 -0.088 0.000 1.124 133 K HN 0.651 nan 8.250 nan 0.000 0.469 134 V N 0.408 120.113 119.914 -0.348 0.000 2.834 134 V HA 0.430 4.547 4.120 -0.005 0.000 0.313 134 V C -0.416 175.449 176.094 -0.383 0.000 1.060 134 V CA -0.895 61.057 62.300 -0.580 0.000 0.989 134 V CB 1.644 32.604 31.823 -1.439 0.000 1.041 134 V HN 0.752 nan 8.190 nan 0.000 0.459 135 D N 2.194 122.438 120.400 -0.260 0.000 2.329 135 D HA 0.381 5.018 4.640 -0.005 0.000 0.232 135 D C 0.781 177.125 176.300 0.073 0.000 1.088 135 D CA 0.147 54.110 54.000 -0.062 0.000 0.835 135 D CB 1.612 42.416 40.800 0.006 0.000 1.078 135 D HN 0.909 nan 8.370 nan 0.000 0.495 136 T N 0.669 115.250 114.554 0.045 0.000 3.214 136 T HA 0.492 4.839 4.350 -0.005 0.000 0.264 136 T C 1.164 175.897 174.700 0.055 0.000 1.012 136 T CA 0.053 62.227 62.100 0.123 0.000 0.901 136 T CB 0.286 69.211 68.868 0.094 0.000 1.070 136 T HN 0.552 nan 8.240 nan 0.000 0.561 137 G N 1.250 110.070 108.800 0.032 0.000 2.421 137 G HA2 -0.226 3.731 3.960 -0.005 0.000 0.188 137 G HA3 -0.226 3.731 3.960 -0.005 0.000 0.188 137 G C 0.759 175.655 174.900 -0.007 0.000 1.001 137 G CA -0.054 45.053 45.100 0.011 0.000 0.693 137 G HN 0.489 nan 8.290 nan 0.000 0.479 138 L N 0.060 121.272 121.223 -0.019 0.000 1.978 138 L HA -0.038 4.299 4.340 -0.005 0.000 0.218 138 L C 1.809 178.671 176.870 -0.014 0.000 1.075 138 L CA 1.932 56.755 54.840 -0.029 0.000 0.767 138 L CB -0.828 41.208 42.059 -0.038 0.000 0.890 138 L HN 0.250 nan 8.230 nan 0.000 0.434 139 N N -1.351 117.347 118.700 -0.003 0.000 2.741 139 N HA -0.247 4.490 4.740 -0.005 0.000 0.251 139 N C 1.058 176.571 175.510 0.006 0.000 1.112 139 N CA 1.372 54.425 53.050 0.006 0.000 0.750 139 N CB -1.147 37.344 38.487 0.007 0.000 1.119 139 N HN 0.607 nan 8.380 nan 0.000 0.561 140 R N 0.091 120.593 120.500 0.003 0.000 2.046 140 R HA 0.195 4.532 4.340 -0.005 0.000 0.223 140 R C 1.140 177.448 176.300 0.013 0.000 1.179 140 R CA 1.830 57.934 56.100 0.008 0.000 0.952 140 R CB -0.702 29.603 30.300 0.008 0.000 0.843 140 R HN 0.698 nan 8.270 nan 0.000 0.439 141 N N -3.381 115.324 118.700 0.009 0.000 2.902 141 N HA 0.574 5.311 4.740 -0.005 0.000 0.268 141 N C -0.158 175.349 175.510 -0.005 0.000 1.450 141 N CA -0.027 53.032 53.050 0.015 0.000 0.819 141 N CB 1.342 39.846 38.487 0.029 0.000 1.540 141 N HN 1.114 nan 8.380 nan 0.000 0.545 142 G N -1.371 107.429 108.800 -0.000 0.000 2.592 142 G HA2 0.136 4.093 3.960 -0.005 0.000 0.685 142 G HA3 0.136 4.093 3.960 -0.005 0.000 0.685 142 G C -1.264 173.632 174.900 -0.007 0.000 1.278 142 G CA -0.531 44.550 45.100 -0.032 0.000 0.822 142 G HN 0.849 nan 8.290 nan 0.000 0.652 143 V N 1.412 121.319 119.914 -0.013 0.000 2.599 143 V HA 0.461 4.578 4.120 -0.005 0.000 0.300 143 V C 1.699 177.844 176.094 0.085 0.000 1.034 143 V CA 0.959 63.296 62.300 0.061 0.000 1.115 143 V CB 0.886 32.789 31.823 0.134 0.000 0.934 143 V HN 1.505 nan 8.190 nan 0.000 0.485 144 G N 4.915 113.815 108.800 0.166 0.000 2.476 144 G HA2 0.410 4.367 3.960 -0.005 0.000 0.286 144 G HA3 0.410 4.367 3.960 -0.005 0.000 0.286 144 G C -1.690 173.409 174.900 0.332 0.000 1.177 144 G CA -1.111 44.123 45.100 0.223 0.000 0.870 144 G HN 0.604 nan 8.290 nan 0.000 0.528 145 P HA -0.171 nan 4.420 nan 0.000 0.216 145 P C 2.040 179.433 177.300 0.155 0.000 1.150 145 P CA 2.066 65.223 63.100 0.096 0.000 0.843 145 P CB 0.242 31.868 31.700 -0.123 0.000 0.787 146 A N -0.886 122.009 122.820 0.125 0.000 1.969 146 A HA -0.218 4.099 4.320 -0.005 0.000 0.218 146 A C 2.086 179.751 177.584 0.134 0.000 1.169 146 A CA 1.624 53.723 52.037 0.103 0.000 0.635 146 A CB -1.054 17.990 19.000 0.073 0.000 0.810 146 A HN 0.160 nan 8.150 nan 0.000 0.445 147 Q N -2.200 117.706 119.800 0.177 0.000 2.402 147 Q HA 0.198 4.535 4.340 -0.005 0.000 0.206 147 Q C 1.477 177.608 176.000 0.218 0.000 0.919 147 Q CA 0.373 56.274 55.803 0.165 0.000 0.923 147 Q CB -0.264 28.562 28.738 0.147 0.000 1.048 147 Q HN 0.657 nan 8.270 nan 0.000 0.515 148 F N 1.676 121.707 119.950 0.136 0.000 2.134 148 F HA -0.062 4.462 4.527 -0.004 0.000 0.299 148 F C -1.056 174.813 175.800 0.116 0.000 1.097 148 F CA 0.674 58.773 58.000 0.165 0.000 1.264 148 F CB -0.962 38.229 39.000 0.318 0.000 1.001 148 F HN 0.079 nan 8.300 nan 0.000 0.479 149 P HA -0.225 nan 4.420 nan 0.000 0.215 149 P C 1.568 178.839 177.300 -0.049 0.000 1.157 149 P CA 2.581 65.681 63.100 -0.001 0.000 0.874 149 P CB -0.335 31.395 31.700 0.050 0.000 0.790 150 A N -0.955 121.861 122.820 -0.008 0.000 1.933 150 A HA -0.207 4.110 4.320 -0.005 0.000 0.218 150 A C 2.245 179.800 177.584 -0.049 0.000 1.175 150 A CA 2.163 54.190 52.037 -0.016 0.000 0.628 150 A CB -1.438 17.569 19.000 0.012 0.000 0.814 150 A HN 0.187 nan 8.150 nan 0.000 0.444 151 M N -0.328 119.229 119.600 -0.072 0.000 2.132 151 M HA -0.016 4.461 4.480 -0.005 0.000 0.263 151 M C 1.756 177.959 176.300 -0.161 0.000 1.065 151 M CA 1.628 56.870 55.300 -0.096 0.000 1.122 151 M CB -0.436 32.121 32.600 -0.072 0.000 1.365 151 M HN 0.321 nan 8.290 nan 0.000 0.411 152 L N -0.569 120.484 121.223 -0.283 0.000 2.042 152 L HA -0.205 4.132 4.340 -0.005 0.000 0.210 152 L C 2.290 179.074 176.870 -0.143 0.000 1.076 152 L CA 1.771 56.457 54.840 -0.257 0.000 0.749 152 L CB -1.325 40.543 42.059 -0.318 0.000 0.893 152 L HN 0.383 nan 8.230 nan 0.000 0.432 153 T N -0.087 114.403 114.554 -0.106 0.000 2.708 153 T HA -0.178 4.169 4.350 -0.005 0.000 0.266 153 T C 2.031 176.695 174.700 -0.059 0.000 1.037 153 T CA 1.353 63.412 62.100 -0.069 0.000 1.146 153 T CB -0.277 68.563 68.868 -0.046 0.000 0.865 153 T HN 0.453 nan 8.240 nan 0.000 0.435 154 A N 1.143 123.930 122.820 -0.054 0.000 1.908 154 A HA -0.018 4.299 4.320 -0.005 0.000 0.218 154 A C 2.317 179.871 177.584 -0.050 0.000 1.181 154 A CA 1.286 53.298 52.037 -0.042 0.000 0.627 154 A CB -0.862 18.118 19.000 -0.034 0.000 0.818 154 A HN 0.478 nan 8.150 nan 0.000 0.445 155 L N -1.409 119.774 121.223 -0.067 0.000 2.056 155 L HA -0.130 4.207 4.340 -0.005 0.000 0.207 155 L C 2.794 179.611 176.870 -0.089 0.000 1.078 155 L CA 1.382 56.178 54.840 -0.072 0.000 0.749 155 L CB -0.465 41.547 42.059 -0.078 0.000 0.901 155 L HN 0.428 nan 8.230 nan 0.000 0.433 156 R N 0.135 120.576 120.500 -0.099 0.000 2.083 156 R HA -0.246 4.091 4.340 -0.005 0.000 0.237 156 R C 2.293 178.555 176.300 -0.064 0.000 1.137 156 R CA 1.953 57.998 56.100 -0.091 0.000 0.951 156 R CB -0.096 30.153 30.300 -0.084 0.000 0.851 156 R HN 0.352 nan 8.270 nan 0.000 0.434 157 Q N -0.573 119.196 119.800 -0.050 0.000 2.079 157 Q HA -0.042 4.295 4.340 -0.005 0.000 0.200 157 Q C 1.991 177.972 176.000 -0.031 0.000 0.974 157 Q CA 1.821 57.603 55.803 -0.035 0.000 0.840 157 Q CB -0.080 28.642 28.738 -0.025 0.000 0.898 157 Q HN 0.443 nan 8.270 nan 0.000 0.430 158 A N 0.443 123.243 122.820 -0.034 0.000 1.902 158 A HA -0.243 4.074 4.320 -0.005 0.000 0.217 158 A C 2.054 179.618 177.584 -0.033 0.000 1.181 158 A CA 1.799 53.819 52.037 -0.029 0.000 0.623 158 A CB -0.634 18.348 19.000 -0.031 0.000 0.818 158 A HN 0.549 nan 8.150 nan 0.000 0.443 159 M N 0.057 119.628 119.600 -0.049 0.000 2.086 159 M HA -0.005 4.472 4.480 -0.005 0.000 0.261 159 M C 2.112 178.388 176.300 -0.041 0.000 1.067 159 M CA 2.070 57.339 55.300 -0.053 0.000 1.116 159 M CB -0.360 32.192 32.600 -0.081 0.000 1.348 159 M HN 0.297 nan 8.290 nan 0.000 0.407 160 A N 0.943 123.739 122.820 -0.040 0.000 1.986 160 A HA -0.232 4.085 4.320 -0.005 0.000 0.220 160 A C 1.838 179.409 177.584 -0.022 0.000 1.171 160 A CA 2.040 54.059 52.037 -0.031 0.000 0.640 160 A CB -1.107 17.876 19.000 -0.030 0.000 0.811 160 A HN 0.861 nan 8.150 nan 0.000 0.451 161 E N -1.410 118.779 120.200 -0.019 0.000 2.499 161 E HA 0.175 4.522 4.350 -0.005 0.000 0.199 161 E C -0.621 175.973 176.600 -0.011 0.000 1.016 161 E CA 0.150 56.543 56.400 -0.012 0.000 0.933 161 E CB -0.119 29.576 29.700 -0.008 0.000 1.050 161 E HN 0.391 nan 8.360 nan 0.000 0.462 162 D N 0.145 120.536 120.400 -0.016 0.000 2.870 162 D HA -0.239 4.398 4.640 -0.005 0.000 0.228 162 D C 0.889 177.183 176.300 -0.010 0.000 1.147 162 D CA 0.853 54.845 54.000 -0.014 0.000 0.757 162 D CB -0.977 39.818 40.800 -0.010 0.000 1.091 162 D HN 0.514 nan 8.370 nan 0.000 0.429 163 A N -0.375 122.438 122.820 -0.012 0.000 1.970 163 A HA 0.200 4.517 4.320 -0.005 0.000 0.216 163 A C 1.222 178.797 177.584 -0.015 0.000 1.170 163 A CA 1.489 53.521 52.037 -0.008 0.000 0.645 163 A CB 0.412 19.409 19.000 -0.005 0.000 0.816 163 A HN 0.506 nan 8.150 nan 0.000 0.447 164 V N -3.093 116.809 119.914 -0.021 0.000 2.962 164 V HA 0.704 4.821 4.120 -0.005 0.000 0.313 164 V C -0.570 175.512 176.094 -0.020 0.000 1.099 164 V CA -1.298 60.988 62.300 -0.023 0.000 0.971 164 V CB 1.727 33.534 31.823 -0.027 0.000 1.028 164 V HN 0.368 nan 8.190 nan 0.000 0.430 165 R N 3.223 123.718 120.500 -0.008 0.000 2.338 165 R HA 0.568 4.905 4.340 -0.005 0.000 0.317 165 R C -1.009 175.300 176.300 0.015 0.000 0.968 165 R CA -0.813 55.286 56.100 -0.002 0.000 0.849 165 R CB 1.511 31.817 30.300 0.011 0.000 1.128 165 R HN 0.936 nan 8.270 nan 0.000 0.448 166 L N 6.042 127.258 121.223 -0.011 0.000 2.399 166 L HA 0.115 4.451 4.340 -0.005 0.000 0.257 166 L C 1.333 178.285 176.870 0.136 0.000 1.236 166 L CA -0.043 54.802 54.840 0.008 0.000 1.144 166 L CB 0.263 42.175 42.059 -0.245 0.000 1.379 166 L HN 0.740 nan 8.230 nan 0.000 0.414 167 R N 2.122 122.732 120.500 0.182 0.000 2.057 167 R HA 0.079 4.416 4.340 -0.005 0.000 0.229 167 R C 0.648 177.118 176.300 0.283 0.000 1.136 167 R CA 1.260 57.477 56.100 0.194 0.000 0.952 167 R CB 0.101 30.488 30.300 0.145 0.000 0.848 167 R HN 0.503 nan 8.270 nan 0.000 0.430 168 G N -0.785 108.190 108.800 0.293 0.000 2.660 168 G HA2 0.536 4.493 3.960 -0.005 0.000 0.294 168 G HA3 0.536 4.493 3.960 -0.005 0.000 0.294 168 G C -2.040 172.725 174.900 -0.225 0.000 1.369 168 G CA -0.697 44.486 45.100 0.137 0.000 0.912 168 G HN 0.136 nan 8.290 nan 0.000 0.479 169 L N 1.315 122.263 121.223 -0.459 0.000 2.329 169 L HA 0.890 5.227 4.340 -0.005 0.000 0.279 169 L C 0.180 176.800 176.870 -0.415 0.000 1.014 169 L CA -0.669 53.810 54.840 -0.601 0.000 0.814 169 L CB 1.722 43.310 42.059 -0.784 0.000 1.257 169 L HN 0.771 nan 8.230 nan 0.000 0.424 170 M N 2.193 121.586 119.600 -0.346 0.000 2.569 170 M HA 0.787 5.264 4.480 -0.005 0.000 0.279 170 M C -1.249 174.798 176.300 -0.422 0.000 1.253 170 M CA -0.417 54.586 55.300 -0.495 0.000 0.867 170 M CB 2.211 34.453 32.600 -0.595 0.000 1.727 170 M HN 0.460 nan 8.290 nan 0.000 0.467 171 S N -0.589 114.700 115.700 -0.685 0.000 2.656 171 S HA 0.692 5.159 4.470 -0.005 0.000 0.273 171 S C -2.179 172.179 174.600 -0.402 0.000 1.168 171 S CA -0.511 57.364 58.200 -0.542 0.000 0.817 171 S CB 1.852 64.697 63.200 -0.592 0.000 1.146 171 S HN 0.965 nan 8.310 nan 0.000 0.475 172 H N 1.696 120.536 119.070 -0.385 0.000 2.689 172 H HA 0.573 5.126 4.556 -0.005 0.000 0.346 172 H C 0.042 175.242 175.328 -0.214 0.000 1.037 172 H CA -0.570 55.297 56.048 -0.301 0.000 1.234 172 H CB 0.686 30.273 29.762 -0.291 0.000 1.572 172 H HN 0.492 nan 8.280 nan 0.000 0.524 180 D N 0.319 120.721 120.400 0.003 0.000 2.349 180 D HA 0.030 4.667 4.640 -0.005 0.000 0.214 180 D C 0.112 176.413 176.300 0.002 0.000 1.063 180 D CA 0.117 54.120 54.000 0.005 0.000 0.847 180 D CB 0.054 40.858 40.800 0.006 0.000 0.933 180 D HN 0.256 nan 8.370 nan 0.000 0.513 181 D N 0.297 120.696 120.400 -0.002 0.000 2.525 181 D HA -0.075 4.562 4.640 -0.005 0.000 0.235 181 D C 1.472 177.770 176.300 -0.003 0.000 1.137 181 D CA 0.223 54.220 54.000 -0.005 0.000 0.868 181 D CB 1.084 41.877 40.800 -0.011 0.000 1.180 181 D HN 0.097 nan 8.370 nan 0.000 0.465 182 S N 3.521 119.220 115.700 -0.002 0.000 2.387 182 S HA -0.219 4.248 4.470 -0.005 0.000 0.230 182 S C 2.068 176.668 174.600 0.001 0.000 1.035 182 S CA 0.442 58.642 58.200 0.001 0.000 1.014 182 S CB -0.093 63.107 63.200 0.001 0.000 0.836 182 S HN 0.570 nan 8.310 nan 0.000 0.466 183 I N 3.702 124.269 120.570 -0.006 0.000 2.502 183 I HA -0.199 3.968 4.170 -0.005 0.000 0.258 183 I C 1.882 177.993 176.117 -0.010 0.000 1.172 183 I CA 1.030 62.324 61.300 -0.010 0.000 1.430 183 I CB -1.983 36.005 38.000 -0.019 0.000 1.086 183 I HN 0.444 nan 8.210 nan 0.000 0.440 184 N N 0.558 119.253 118.700 -0.008 0.000 2.135 184 N HA -0.139 4.598 4.740 -0.005 0.000 0.186 184 N C 1.421 176.943 175.510 0.021 0.000 1.027 184 N CA 1.249 54.297 53.050 -0.004 0.000 0.849 184 N CB -0.090 38.395 38.487 -0.004 0.000 1.002 184 N HN 0.373 nan 8.380 nan 0.000 0.425 185 D N 0.724 121.138 120.400 0.023 0.000 2.123 185 D HA -0.133 4.504 4.640 -0.005 0.000 0.196 185 D C 1.994 178.320 176.300 0.044 0.000 0.992 185 D CA 1.043 55.065 54.000 0.036 0.000 0.833 185 D CB -0.360 40.454 40.800 0.024 0.000 0.954 185 D HN 0.092 nan 8.370 nan 0.000 0.455 186 V N 1.307 121.238 119.914 0.029 0.000 2.270 186 V HA -0.254 3.863 4.120 -0.005 0.000 0.245 186 V C 2.620 178.742 176.094 0.046 0.000 1.043 186 V CA 1.598 63.916 62.300 0.030 0.000 1.014 186 V CB -0.608 31.224 31.823 0.015 0.000 0.645 186 V HN 0.146 nan 8.190 nan 0.000 0.447 187 Q N -0.256 119.565 119.800 0.036 0.000 2.112 187 Q HA -0.247 4.090 4.340 -0.005 0.000 0.206 187 Q C 2.387 178.447 176.000 0.100 0.000 0.987 187 Q CA 1.953 57.781 55.803 0.041 0.000 0.858 187 Q CB -0.435 28.295 28.738 -0.013 0.000 0.905 187 Q HN 0.695 nan 8.270 nan 0.000 0.420 188 A N 0.718 123.608 122.820 0.117 0.000 1.902 188 A HA -0.259 4.058 4.320 -0.005 0.000 0.217 188 A C 1.961 179.703 177.584 0.263 0.000 1.181 188 A CA 1.496 53.671 52.037 0.231 0.000 0.623 188 A CB -0.492 18.634 19.000 0.210 0.000 0.818 188 A HN 0.343 nan 8.150 nan 0.000 0.443 189 Q N -0.877 119.017 119.800 0.156 0.000 2.002 189 Q HA -0.211 4.126 4.340 -0.005 0.000 0.204 189 Q C 2.407 178.465 176.000 0.096 0.000 0.988 189 Q CA 1.905 57.775 55.803 0.112 0.000 0.843 189 Q CB -0.177 28.596 28.738 0.058 0.000 0.908 189 Q HN 0.600 nan 8.270 nan 0.000 0.420 190 R N -0.459 120.090 120.500 0.083 0.000 2.103 190 R HA -0.197 4.140 4.340 -0.005 0.000 0.242 190 R C 2.037 178.442 176.300 0.175 0.000 1.142 190 R CA 1.639 57.770 56.100 0.051 0.000 0.960 190 R CB -0.377 29.965 30.300 0.070 0.000 0.858 190 R HN 0.221 nan 8.270 nan 0.000 0.439 191 F N 0.966 120.968 119.950 0.087 0.000 2.134 191 F HA -0.186 4.337 4.527 -0.007 0.000 0.299 191 F C 2.040 177.876 175.800 0.059 0.000 1.097 191 F CA 1.696 59.739 58.000 0.072 0.000 1.264 191 F CB -0.594 38.345 39.000 -0.102 0.000 1.001 191 F HN -0.067 nan 8.300 nan 0.000 0.479 192 T N 0.424 115.037 114.554 0.098 0.000 2.746 192 T HA -0.170 4.177 4.350 -0.005 0.000 0.267 192 T C 2.249 176.920 174.700 -0.048 0.000 1.039 192 T CA 1.407 63.528 62.100 0.035 0.000 1.142 192 T CB -0.811 68.137 68.868 0.133 0.000 0.866 192 T HN 0.329 nan 8.240 nan 0.000 0.444 193 A N 0.669 123.444 122.820 -0.075 0.000 1.933 193 A HA 0.007 4.324 4.320 -0.005 0.000 0.218 193 A C 1.998 179.457 177.584 -0.209 0.000 1.175 193 A CA 1.223 53.167 52.037 -0.153 0.000 0.628 193 A CB -1.018 17.842 19.000 -0.233 0.000 0.814 193 A HN 0.503 nan 8.150 nan 0.000 0.444 194 F N -0.153 119.629 119.950 -0.278 0.000 2.134 194 F HA -0.163 4.361 4.527 -0.006 0.000 0.299 194 F C 2.131 177.791 175.800 -0.234 0.000 1.097 194 F CA 1.390 59.116 58.000 -0.457 0.000 1.264 194 F CB -0.346 38.211 39.000 -0.738 0.000 1.001 194 F HN 0.111 nan 8.300 nan 0.000 0.479 195 L N -0.519 120.632 121.223 -0.121 0.000 2.083 195 L HA -0.243 4.094 4.340 -0.005 0.000 0.209 195 L C 2.662 179.573 176.870 0.069 0.000 1.083 195 L CA 1.230 56.036 54.840 -0.056 0.000 0.752 195 L CB -0.916 41.048 42.059 -0.158 0.000 0.899 195 L HN 0.140 nan 8.230 nan 0.000 0.433 196 A N -0.688 122.152 122.820 0.034 0.000 1.873 196 A HA -0.258 4.059 4.320 -0.005 0.000 0.215 196 A C 2.215 179.851 177.584 0.087 0.000 1.186 196 A CA 1.620 53.687 52.037 0.050 0.000 0.616 196 A CB -0.535 18.474 19.000 0.016 0.000 0.823 196 A HN 0.387 nan 8.150 nan 0.000 0.442 197 Q N 0.070 119.938 119.800 0.114 0.000 2.077 197 Q HA -0.143 4.194 4.340 -0.005 0.000 0.206 197 Q C 2.043 178.176 176.000 0.222 0.000 0.989 197 Q CA 2.465 58.374 55.803 0.176 0.000 0.853 197 Q CB -0.600 28.294 28.738 0.262 0.000 0.907 197 Q HN 0.573 nan 8.270 nan 0.000 0.418 198 A N 0.377 123.402 122.820 0.341 0.000 1.877 198 A HA -0.212 4.105 4.320 -0.005 0.000 0.216 198 A C 2.178 179.847 177.584 0.143 0.000 1.186 198 A CA 1.575 53.784 52.037 0.286 0.000 0.620 198 A CB -0.646 18.653 19.000 0.498 0.000 0.822 198 A HN 0.382 nan 8.150 nan 0.000 0.443 199 R N -0.508 120.074 120.500 0.137 0.000 2.097 199 R HA -0.157 4.180 4.340 -0.005 0.000 0.236 199 R C 2.055 178.385 176.300 0.051 0.000 1.135 199 R CA 1.741 57.889 56.100 0.079 0.000 0.934 199 R CB -0.345 29.998 30.300 0.073 0.000 0.846 199 R HN 0.544 nan 8.270 nan 0.000 0.431 200 E N 0.457 120.691 120.200 0.056 0.000 2.209 200 E HA -0.199 4.148 4.350 -0.005 0.000 0.196 200 E C 1.504 178.120 176.600 0.027 0.000 0.993 200 E CA 1.156 57.578 56.400 0.037 0.000 0.819 200 E CB -0.039 29.684 29.700 0.037 0.000 0.745 200 E HN 0.508 nan 8.360 nan 0.000 0.477 201 Q N -0.618 119.200 119.800 0.030 0.000 2.246 201 Q HA 0.192 4.529 4.340 -0.005 0.000 0.202 201 Q C 0.466 176.456 176.000 -0.017 0.000 0.883 201 Q CA 0.279 56.084 55.803 0.003 0.000 0.952 201 Q CB 0.735 29.470 28.738 -0.006 0.000 1.078 201 Q HN 0.316 nan 8.270 nan 0.000 0.493 202 G N 0.802 109.594 108.800 -0.013 0.000 2.221 202 G HA2 -0.237 3.720 3.960 -0.005 0.000 0.265 202 G HA3 -0.237 3.720 3.960 -0.005 0.000 0.265 202 G C -0.084 174.776 174.900 -0.068 0.000 1.041 202 G CA 0.159 45.241 45.100 -0.031 0.000 0.807 202 G HN 0.223 nan 8.290 nan 0.000 0.502 203 V N 0.442 120.305 119.914 -0.086 0.000 2.357 203 V HA 0.637 4.754 4.120 -0.005 0.000 0.284 203 V C 0.529 176.477 176.094 -0.245 0.000 1.018 203 V CA -1.050 61.132 62.300 -0.196 0.000 0.841 203 V CB 1.626 33.310 31.823 -0.232 0.000 0.991 203 V HN 0.321 nan 8.190 nan 0.000 0.437 204 R N 3.345 123.664 120.500 -0.302 0.000 2.387 204 R HA 0.554 4.891 4.340 -0.005 0.000 0.314 204 R C -1.392 174.702 176.300 -0.343 0.000 0.958 204 R CA -0.444 55.535 56.100 -0.202 0.000 0.846 204 R CB 1.804 32.054 30.300 -0.082 0.000 1.147 204 R HN 0.557 nan 8.270 nan 0.000 0.447 205 F N 1.282 121.248 119.950 0.027 0.000 2.385 205 F HA 0.207 4.731 4.527 -0.005 0.000 0.336 205 F C 1.807 177.636 175.800 0.047 0.000 1.100 205 F CA -0.378 57.643 58.000 0.034 0.000 1.116 205 F CB 1.257 40.276 39.000 0.032 0.000 1.166 205 F HN 0.522 nan 8.300 nan 0.000 0.511 206 E N 0.773 121.106 120.200 0.222 0.000 2.072 206 E HA -0.051 4.296 4.350 -0.005 0.000 0.191 206 E C -0.027 176.685 176.600 0.186 0.000 0.985 206 E CA 1.108 57.604 56.400 0.160 0.000 0.801 206 E CB 0.188 29.965 29.700 0.129 0.000 0.750 206 E HN 0.402 nan 8.360 nan 0.000 0.452 207 V N -3.305 116.743 119.914 0.223 0.000 3.114 207 V HA 0.828 4.945 4.120 -0.005 0.000 0.308 207 V C -0.986 175.227 176.094 0.198 0.000 1.168 207 V CA -1.113 61.322 62.300 0.226 0.000 1.015 207 V CB 1.857 33.828 31.823 0.248 0.000 1.050 207 V HN -0.012 nan 8.190 nan 0.000 0.433 208 A N 1.703 124.648 122.820 0.209 0.000 2.380 208 A HA 1.075 5.392 4.320 -0.005 0.000 0.315 208 A C -0.824 176.884 177.584 0.206 0.000 1.101 208 A CA -0.387 51.701 52.037 0.085 0.000 0.771 208 A CB 1.347 20.348 19.000 0.002 0.000 1.287 208 A HN 2.201 nan 8.150 nan 0.000 0.436 209 H N -0.997 118.116 119.070 0.072 0.000 3.129 209 H HA 0.550 5.103 4.556 -0.006 0.000 0.342 209 H C -0.893 174.251 175.328 -0.307 0.000 1.092 209 H CA -0.625 55.412 56.048 -0.017 0.000 1.310 209 H CB 0.806 30.572 29.762 0.006 0.000 1.932 209 H HN 0.637 nan 8.280 nan 0.000 0.507 210 L N 1.054 122.137 121.223 -0.233 0.000 3.076 210 L HA 0.463 4.800 4.340 -0.005 0.000 0.271 210 L C -0.514 176.259 176.870 -0.162 0.000 1.152 210 L CA 0.221 54.772 54.840 -0.482 0.000 0.996 210 L CB 0.868 42.464 42.059 -0.771 0.000 1.453 210 L HN 0.534 nan 8.230 nan 0.000 0.571 211 S N 2.252 117.950 115.700 -0.002 0.000 2.448 211 S HA 0.294 4.761 4.470 -0.005 0.000 0.279 211 S C 0.029 174.644 174.600 0.025 0.000 1.195 211 S CA -0.528 57.686 58.200 0.024 0.000 1.051 211 S CB 0.094 63.335 63.200 0.068 0.000 0.948 211 S HN 0.575 nan 8.310 nan 0.000 0.493 212 N N 2.051 120.768 118.700 0.027 0.000 2.431 212 N HA 0.262 4.999 4.740 -0.005 0.000 0.289 212 N C 1.018 176.552 175.510 0.039 0.000 1.277 212 N CA -0.685 52.408 53.050 0.071 0.000 0.972 212 N CB -0.413 38.148 38.487 0.124 0.000 1.143 212 N HN 0.255 nan 8.380 nan 0.000 0.578 213 S N -0.615 115.118 115.700 0.056 0.000 2.359 213 S HA -0.210 4.257 4.470 -0.005 0.000 0.224 213 S C 1.845 176.438 174.600 -0.012 0.000 1.035 213 S CA 1.582 59.784 58.200 0.004 0.000 1.018 213 S CB -0.687 62.521 63.200 0.013 0.000 0.876 213 S HN 0.687 nan 8.310 nan 0.000 0.448 214 S N 1.343 117.058 115.700 0.024 0.000 2.365 214 S HA -0.155 4.312 4.470 -0.005 0.000 0.225 214 S C 2.048 176.644 174.600 -0.007 0.000 1.039 214 S CA 1.461 59.668 58.200 0.011 0.000 1.033 214 S CB -0.534 62.685 63.200 0.031 0.000 0.887 214 S HN 0.544 nan 8.310 nan 0.000 0.447 215 A N 0.154 122.972 122.820 -0.005 0.000 1.930 215 A HA -0.012 4.305 4.320 -0.005 0.000 0.217 215 A C 2.366 179.954 177.584 0.007 0.000 1.175 215 A CA 2.076 54.115 52.037 0.002 0.000 0.627 215 A CB -1.472 17.530 19.000 0.003 0.000 0.815 215 A HN 0.582 nan 8.150 nan 0.000 0.443 216 T N -0.199 114.351 114.554 -0.006 0.000 2.720 216 T HA -0.138 4.209 4.350 -0.005 0.000 0.268 216 T C 1.846 176.527 174.700 -0.031 0.000 1.037 216 T CA 1.931 64.024 62.100 -0.012 0.000 1.144 216 T CB -0.239 68.608 68.868 -0.036 0.000 0.864 216 T HN 0.450 nan 8.240 nan 0.000 0.444 217 M N -0.436 119.105 119.600 -0.100 0.000 2.534 217 M HA 0.275 4.752 4.480 -0.005 0.000 0.263 217 M C 2.299 178.575 176.300 -0.040 0.000 1.152 217 M CA 0.488 55.654 55.300 -0.224 0.000 1.145 217 M CB 0.262 32.637 32.600 -0.375 0.000 1.333 217 M HN 0.246 nan 8.290 nan 0.000 0.477 218 A N -0.431 122.383 122.820 -0.010 0.000 2.167 218 A HA 0.225 4.542 4.320 -0.005 0.000 0.208 218 A C 0.908 178.511 177.584 0.032 0.000 1.198 218 A CA 0.110 52.160 52.037 0.021 0.000 0.863 218 A CB 0.470 19.476 19.000 0.009 0.000 0.904 218 A HN 0.193 nan 8.150 nan 0.000 0.484 219 R N 0.199 120.716 120.500 0.029 0.000 2.681 219 R HA 0.217 4.554 4.340 -0.005 0.000 0.277 219 R C -2.465 173.857 176.300 0.036 0.000 1.563 219 R CA -1.558 54.560 56.100 0.030 0.000 1.673 219 R CB 0.453 30.767 30.300 0.025 0.000 1.258 219 R HN 0.282 nan 8.270 nan 0.000 0.650 220 P HA -0.167 nan 4.420 nan 0.000 0.221 220 P C 0.511 177.825 177.300 0.023 0.000 1.145 220 P CA 1.144 64.271 63.100 0.045 0.000 0.795 220 P CB 0.290 32.025 31.700 0.058 0.000 0.775 221 D N 0.095 120.502 120.400 0.013 0.000 2.310 221 D HA -0.107 4.530 4.640 -0.005 0.000 0.212 221 D C 1.570 177.845 176.300 -0.043 0.000 0.965 221 D CA 0.657 54.650 54.000 -0.011 0.000 0.879 221 D CB -0.829 39.968 40.800 -0.005 0.000 0.921 221 D HN 0.287 nan 8.370 nan 0.000 0.510 222 L N 0.407 121.622 121.223 -0.012 0.000 2.700 222 L HA 0.175 4.512 4.340 -0.005 0.000 0.234 222 L C 0.261 177.149 176.870 0.029 0.000 1.156 222 L CA -0.120 54.722 54.840 0.004 0.000 0.946 222 L CB 0.211 42.328 42.059 0.097 0.000 1.216 222 L HN -0.203 nan 8.230 nan 0.000 0.493 223 T N 0.212 114.759 114.554 -0.013 0.000 2.832 223 T HA 0.310 4.657 4.350 -0.005 0.000 0.296 223 T C 0.218 174.923 174.700 0.008 0.000 0.968 223 T CA -0.009 62.134 62.100 0.071 0.000 1.107 223 T CB 1.070 69.952 68.868 0.023 0.000 0.916 223 T HN -0.102 nan 8.240 nan 0.000 0.517 224 F N 1.043 121.071 119.950 0.131 0.000 2.812 224 F HA 0.300 4.827 4.527 0.000 0.000 0.156 224 F C 2.078 177.989 175.800 0.185 0.000 1.267 224 F CA -0.368 57.745 58.000 0.188 0.000 0.923 224 F CB -0.085 39.054 39.000 0.233 0.000 2.108 224 F HN 0.453 nan 8.300 nan 0.000 0.583 225 D N -0.293 120.355 120.400 0.414 0.000 2.240 225 D HA 0.101 4.738 4.640 -0.005 0.000 0.206 225 D C 0.250 176.642 176.300 0.154 0.000 0.963 225 D CA 1.158 55.320 54.000 0.270 0.000 0.863 225 D CB 0.587 41.547 40.800 0.268 0.000 0.973 225 D HN -0.125 nan 8.370 nan 0.000 0.501 226 L N 0.704 122.033 121.223 0.176 0.000 2.327 226 L HA 0.444 4.781 4.340 -0.005 0.000 0.258 226 L C -0.131 176.770 176.870 0.053 0.000 1.024 226 L CA -1.142 53.725 54.840 0.044 0.000 0.825 226 L CB 2.067 44.071 42.059 -0.093 0.000 1.386 226 L HN -0.229 nan 8.230 nan 0.000 0.417 227 V N -0.479 119.421 119.914 -0.023 0.000 2.769 227 V HA 0.666 4.783 4.120 -0.005 0.000 0.312 227 V C -0.369 175.693 176.094 -0.053 0.000 1.061 227 V CA -0.923 61.370 62.300 -0.012 0.000 0.931 227 V CB 2.128 33.942 31.823 -0.015 0.000 1.010 227 V HN 0.795 nan 8.190 nan 0.000 0.433 228 R N 2.977 123.458 120.500 -0.031 0.000 2.724 228 R HA 0.407 4.744 4.340 -0.005 0.000 0.284 228 R C -2.806 173.501 176.300 0.012 0.000 1.481 228 R CA -1.429 54.657 56.100 -0.023 0.000 1.652 228 R CB 1.027 31.305 30.300 -0.038 0.000 1.175 228 R HN 0.606 nan 8.270 nan 0.000 0.613 229 P HA 0.163 nan 4.420 nan 0.000 0.285 229 P C -0.097 177.169 177.300 -0.057 0.000 1.259 229 P CA -0.040 63.042 63.100 -0.030 0.000 0.794 229 P CB 2.078 33.725 31.700 -0.088 0.000 0.940 230 G N 2.077 110.868 108.800 -0.015 0.000 2.710 230 G HA2 -0.029 3.928 3.960 -0.005 0.000 0.215 230 G HA3 -0.029 3.928 3.960 -0.005 0.000 0.215 230 G C 1.102 175.814 174.900 -0.314 0.000 1.345 230 G CA 0.089 45.084 45.100 -0.174 0.000 0.812 230 G HN 0.407 nan 8.290 nan 0.000 0.606 231 I N 2.348 122.876 120.570 -0.071 0.000 2.194 231 I HA -0.126 4.041 4.170 -0.005 0.000 0.246 231 I C 2.871 178.892 176.117 -0.160 0.000 1.093 231 I CA 1.610 62.860 61.300 -0.083 0.000 1.355 231 I CB -0.316 37.544 38.000 -0.234 0.000 1.046 231 I HN 0.198 nan 8.210 nan 0.000 0.413 232 A N -0.941 121.777 122.820 -0.171 0.000 2.066 232 A HA -0.074 4.243 4.320 -0.005 0.000 0.218 232 A C 2.353 179.770 177.584 -0.278 0.000 1.157 232 A CA 1.424 53.349 52.037 -0.188 0.000 0.670 232 A CB -0.943 17.964 19.000 -0.154 0.000 0.804 232 A HN 0.305 nan 8.150 nan 0.000 0.453 233 V N -1.235 118.404 119.914 -0.459 0.000 2.490 233 V HA -0.250 3.867 4.120 -0.005 0.000 0.250 233 V C 1.973 177.602 176.094 -0.775 0.000 1.061 233 V CA 1.629 63.541 62.300 -0.647 0.000 1.064 233 V CB -1.018 30.281 31.823 -0.874 0.000 0.670 233 V HN 0.733 nan 8.190 nan 0.000 0.461 234 Y N 0.453 120.537 120.300 -0.360 0.000 2.529 234 Y HA 0.392 4.940 4.550 -0.004 0.000 0.290 234 Y C 1.953 177.726 175.900 -0.212 0.000 1.177 234 Y CA 0.349 58.207 58.100 -0.404 0.000 1.305 234 Y CB -0.641 37.424 38.460 -0.658 0.000 1.047 234 Y HN 0.297 nan 8.280 nan 0.000 0.522 235 G N 0.383 109.114 108.800 -0.115 0.000 2.148 235 G HA2 -0.298 3.659 3.960 -0.005 0.000 0.254 235 G HA3 -0.298 3.659 3.960 -0.005 0.000 0.254 235 G C -0.003 174.857 174.900 -0.066 0.000 0.981 235 G CA 0.011 45.078 45.100 -0.056 0.000 0.670 235 G HN 0.301 nan 8.290 nan 0.000 0.528 236 L N 1.164 122.300 121.223 -0.145 0.000 2.349 236 L HA 0.511 4.848 4.340 -0.005 0.000 0.275 236 L C 1.239 177.973 176.870 -0.226 0.000 1.115 236 L CA -0.201 54.459 54.840 -0.300 0.000 0.820 236 L CB 1.571 43.217 42.059 -0.690 0.000 1.135 236 L HN 0.214 nan 8.230 nan 0.000 0.445 237 S N 3.998 119.676 115.700 -0.037 0.000 2.488 237 S HA 0.193 4.660 4.470 -0.005 0.000 0.278 237 S C -1.369 173.339 174.600 0.181 0.000 1.259 237 S CA -1.235 57.017 58.200 0.086 0.000 1.061 237 S CB 0.766 64.041 63.200 0.125 0.000 0.910 237 S HN 0.414 nan 8.310 nan 0.000 0.491 238 P HA 0.049 nan 4.420 nan 0.000 0.229 238 P C -0.265 177.109 177.300 0.122 0.000 1.160 238 P CA 0.542 63.714 63.100 0.119 0.000 0.777 238 P CB 0.020 31.747 31.700 0.043 0.000 0.814 239 V N 0.386 120.353 119.914 0.087 0.000 2.454 239 V HA 0.204 4.321 4.120 -0.005 0.000 0.267 239 V C -1.848 174.281 176.094 0.058 0.000 0.993 239 V CA -1.358 60.980 62.300 0.063 0.000 0.836 239 V CB 1.468 33.312 31.823 0.035 0.000 1.055 239 V HN -0.165 nan 8.190 nan 0.000 0.452 240 P HA -0.221 nan 4.420 nan 0.000 0.216 240 P C 1.771 179.088 177.300 0.027 0.000 1.153 240 P CA 2.131 65.257 63.100 0.043 0.000 0.858 240 P CB 0.336 32.027 31.700 -0.015 0.000 0.789 241 A N -0.817 122.013 122.820 0.016 0.000 2.024 241 A HA -0.159 4.158 4.320 -0.005 0.000 0.220 241 A C 2.026 179.622 177.584 0.019 0.000 1.164 241 A CA 1.356 53.401 52.037 0.013 0.000 0.643 241 A CB -1.565 17.439 19.000 0.007 0.000 0.806 241 A HN 0.173 nan 8.150 nan 0.000 0.451 242 L N -1.492 119.746 121.223 0.024 0.000 2.599 242 L HA 0.257 4.594 4.340 -0.005 0.000 0.230 242 L C 1.374 178.262 176.870 0.030 0.000 1.141 242 L CA 0.318 55.173 54.840 0.026 0.000 0.877 242 L CB -0.907 41.167 42.059 0.026 0.000 1.009 242 L HN 0.660 nan 8.230 nan 0.000 0.447 243 G N 1.406 110.226 108.800 0.033 0.000 2.548 243 G HA2 -0.272 3.685 3.960 -0.005 0.000 0.208 243 G HA3 -0.272 3.685 3.960 -0.005 0.000 0.208 243 G C -0.061 174.864 174.900 0.042 0.000 1.308 243 G CA 0.002 45.123 45.100 0.036 0.000 0.924 243 G HN 0.338 nan 8.290 nan 0.000 0.540 244 D N -0.634 119.791 120.400 0.041 0.000 2.340 244 D HA 0.170 4.807 4.640 -0.005 0.000 0.220 244 D C 1.820 178.142 176.300 0.036 0.000 1.039 244 D CA 0.795 54.820 54.000 0.041 0.000 0.866 244 D CB -0.273 40.551 40.800 0.039 0.000 0.913 244 D HN 0.950 nan 8.370 nan 0.000 0.523 245 M N -0.467 119.155 119.600 0.037 0.000 2.436 245 M HA -0.215 4.262 4.480 -0.005 0.000 0.197 245 M C 1.129 177.461 176.300 0.054 0.000 0.442 245 M CA 0.776 56.097 55.300 0.034 0.000 0.473 245 M CB -1.749 30.848 32.600 -0.005 0.000 1.685 245 M HN 0.468 nan 8.290 nan 0.000 0.835 246 G N -0.543 108.302 108.800 0.074 0.000 2.159 246 G HA2 -0.260 3.697 3.960 -0.005 0.000 0.256 246 G HA3 -0.260 3.697 3.960 -0.005 0.000 0.256 246 G C -0.020 174.983 174.900 0.172 0.000 0.977 246 G CA 0.368 45.538 45.100 0.117 0.000 0.652 246 G HN 0.511 nan 8.290 nan 0.000 0.531 247 L N -0.028 121.260 121.223 0.107 0.000 2.375 247 L HA 0.727 5.064 4.340 -0.005 0.000 0.268 247 L C 0.425 177.353 176.870 0.097 0.000 1.058 247 L CA -1.312 53.603 54.840 0.125 0.000 0.803 247 L CB 1.853 43.928 42.059 0.027 0.000 1.212 247 L HN -0.095 nan 8.230 nan 0.000 0.451 248 V N 2.036 122.012 119.914 0.104 0.000 2.326 248 V HA 0.267 4.384 4.120 -0.005 0.000 0.281 248 V C -2.244 173.869 176.094 0.032 0.000 1.015 248 V CA -1.752 60.559 62.300 0.017 0.000 0.823 248 V CB 1.251 33.024 31.823 -0.084 0.000 1.009 248 V HN 0.571 nan 8.190 nan 0.000 0.436 249 P HA 0.028 nan 4.420 nan 0.000 0.260 249 P C 0.578 177.933 177.300 0.092 0.000 1.185 249 P CA 0.359 63.498 63.100 0.064 0.000 0.763 249 P CB 0.865 32.607 31.700 0.070 0.000 0.776 250 A N 4.409 127.316 122.820 0.146 0.000 2.123 250 A HA 0.019 4.336 4.320 -0.005 0.000 0.214 250 A C 0.995 178.687 177.584 0.181 0.000 1.152 250 A CA 0.652 52.789 52.037 0.167 0.000 0.728 250 A CB -0.472 18.652 19.000 0.207 0.000 0.814 250 A HN 0.546 nan 8.150 nan 0.000 0.464 251 M N 1.004 120.729 119.600 0.207 0.000 2.238 251 M HA 0.379 4.856 4.480 -0.005 0.000 0.350 251 M C -1.395 174.860 176.300 -0.074 0.000 1.138 251 M CA 0.083 55.399 55.300 0.025 0.000 1.040 251 M CB 1.384 33.932 32.600 -0.086 0.000 1.639 251 M HN 0.048 nan 8.290 nan 0.000 0.451 252 T N 4.393 118.828 114.554 -0.198 0.000 2.791 252 T HA 0.480 4.827 4.350 -0.005 0.000 0.288 252 T C -0.808 173.617 174.700 -0.457 0.000 0.999 252 T CA -0.502 61.419 62.100 -0.299 0.000 0.952 252 T CB 1.287 70.050 68.868 -0.175 0.000 0.938 252 T HN 0.484 nan 8.240 nan 0.000 0.444 253 V N 5.966 125.403 119.914 -0.794 0.000 2.394 253 V HA 0.623 4.740 4.120 -0.005 0.000 0.282 253 V C 0.134 175.990 176.094 -0.397 0.000 1.031 253 V CA -0.520 61.383 62.300 -0.662 0.000 0.881 253 V CB 0.992 32.247 31.823 -0.947 0.000 0.982 253 V HN 0.873 nan 8.190 nan 0.000 0.451 254 K N 4.046 124.309 120.400 -0.228 0.000 2.499 254 K HA 0.901 5.218 4.320 -0.005 0.000 0.277 254 K C -1.187 175.366 176.600 -0.077 0.000 1.025 254 K CA -0.760 55.452 56.287 -0.125 0.000 0.900 254 K CB 2.203 34.634 32.500 -0.115 0.000 1.494 254 K HN 0.758 nan 8.250 nan 0.000 0.442 255 C N -1.697 117.573 119.300 -0.050 0.000 3.311 255 C HA 0.861 5.318 4.460 -0.005 0.000 0.325 255 C C -0.428 174.531 174.990 -0.051 0.000 1.352 255 C CA -0.725 58.266 59.018 -0.045 0.000 1.308 255 C CB 0.905 28.629 27.740 -0.027 0.000 1.619 255 C HN 1.058 nan 8.230 nan 0.000 0.469 256 A N 1.321 124.110 122.820 -0.053 0.000 2.354 256 A HA 0.624 4.941 4.320 -0.005 0.000 0.269 256 A C 0.049 177.592 177.584 -0.069 0.000 1.109 256 A CA -0.311 51.694 52.037 -0.054 0.000 0.800 256 A CB 0.222 19.194 19.000 -0.046 0.000 1.045 256 A HN 1.602 nan 8.150 nan 0.000 0.489 257 V N 2.157 122.029 119.914 -0.069 0.000 2.540 257 V HA 0.169 4.286 4.120 -0.005 0.000 0.297 257 V C 1.402 177.451 176.094 -0.074 0.000 1.024 257 V CA 1.115 63.365 62.300 -0.083 0.000 1.105 257 V CB 0.469 32.250 31.823 -0.070 0.000 0.938 257 V HN 1.082 nan 8.190 nan 0.000 0.482 258 A N 5.192 127.960 122.820 -0.087 0.000 2.169 258 A HA 0.546 4.863 4.320 -0.005 0.000 0.210 258 A C 0.245 177.793 177.584 -0.060 0.000 1.168 258 A CA 0.393 52.389 52.037 -0.069 0.000 0.813 258 A CB 0.221 19.177 19.000 -0.073 0.000 0.861 258 A HN 0.682 nan 8.150 nan 0.000 0.481 259 L N -1.542 119.640 121.223 -0.067 0.000 2.672 259 L HA 0.530 4.867 4.340 -0.005 0.000 0.256 259 L C -1.837 174.999 176.870 -0.057 0.000 0.946 259 L CA -0.383 54.425 54.840 -0.055 0.000 0.889 259 L CB 2.111 44.139 42.059 -0.052 0.000 1.441 259 L HN -0.115 nan 8.230 nan 0.000 0.418 260 V N 3.860 123.748 119.914 -0.043 0.000 2.555 260 V HA 0.750 4.867 4.120 -0.005 0.000 0.302 260 V C -0.754 175.325 176.094 -0.026 0.000 1.038 260 V CA -0.536 61.742 62.300 -0.037 0.000 0.887 260 V CB 1.873 33.678 31.823 -0.030 0.000 0.991 260 V HN 0.834 nan 8.190 nan 0.000 0.434 261 K N 2.050 122.437 120.400 -0.022 0.000 2.527 261 K HA 0.710 5.026 4.320 -0.005 0.000 0.260 261 K C -0.770 175.830 176.600 0.000 0.000 0.937 261 K CA -0.558 55.723 56.287 -0.010 0.000 0.826 261 K CB 2.268 34.762 32.500 -0.010 0.000 1.359 261 K HN 0.615 nan 8.250 nan 0.000 0.434 262 S N 2.493 118.197 115.700 0.006 0.000 2.616 262 S HA 0.715 5.181 4.470 -0.005 0.000 0.277 262 S C 0.440 175.054 174.600 0.024 0.000 1.234 262 S CA -0.770 57.439 58.200 0.016 0.000 1.028 262 S CB 0.234 63.441 63.200 0.013 0.000 0.988 262 S HN 0.672 nan 8.310 nan 0.000 0.522 263 I N -2.022 118.571 120.570 0.039 0.000 3.074 263 I HA 0.661 4.828 4.170 -0.005 0.000 0.310 263 I C -0.777 175.360 176.117 0.032 0.000 1.153 263 I CA -1.568 59.756 61.300 0.041 0.000 0.993 263 I CB 1.988 40.029 38.000 0.069 0.000 1.237 263 I HN 0.505 nan 8.210 nan 0.000 0.443 264 R N 2.150 122.658 120.500 0.013 0.000 2.540 264 R HA 0.696 5.033 4.340 -0.005 0.000 0.287 264 R C -0.270 176.012 176.300 -0.030 0.000 0.980 264 R CA -0.845 55.252 56.100 -0.004 0.000 0.966 264 R CB 1.669 31.964 30.300 -0.009 0.000 1.106 264 R HN 0.874 nan 8.270 nan 0.000 0.480 265 A N 0.842 123.638 122.820 -0.040 0.000 2.584 265 A HA 0.289 4.606 4.320 -0.005 0.000 0.239 265 A C 1.320 178.844 177.584 -0.100 0.000 1.043 265 A CA 1.212 53.202 52.037 -0.079 0.000 0.756 265 A CB -0.587 18.377 19.000 -0.060 0.000 0.963 265 A HN 1.010 nan 8.150 nan 0.000 0.511 266 G N 1.348 110.052 108.800 -0.159 0.000 2.175 266 G HA2 -0.182 3.775 3.960 -0.005 0.000 0.244 266 G HA3 -0.182 3.775 3.960 -0.005 0.000 0.244 266 G C -0.023 174.783 174.900 -0.156 0.000 0.982 266 G CA 0.343 45.353 45.100 -0.150 0.000 0.641 266 G HN 0.894 nan 8.290 nan 0.000 0.527 267 E N 0.808 120.909 120.200 -0.165 0.000 2.283 267 E HA 0.496 4.843 4.350 -0.005 0.000 0.278 267 E C 0.789 177.221 176.600 -0.279 0.000 1.027 267 E CA 0.033 56.334 56.400 -0.164 0.000 0.843 267 E CB 1.422 31.072 29.700 -0.083 0.000 1.062 267 E HN 0.351 nan 8.360 nan 0.000 0.401 268 G N 1.314 109.811 108.800 -0.506 0.000 2.448 268 G HA2 0.408 4.365 3.960 -0.005 0.000 0.285 268 G HA3 0.408 4.365 3.960 -0.005 0.000 0.285 268 G C -0.749 173.810 174.900 -0.568 0.000 1.176 268 G CA -0.365 44.263 45.100 -0.786 0.000 0.852 268 G HN 0.321 nan 8.290 nan 0.000 0.530 269 V N 0.552 120.427 119.914 -0.065 0.000 2.680 269 V HA 0.709 4.826 4.120 -0.005 0.000 0.309 269 V C 0.427 176.642 176.094 0.201 0.000 1.052 269 V CA 0.175 62.550 62.300 0.125 0.000 0.908 269 V CB 1.507 33.457 31.823 0.212 0.000 1.001 269 V HN 1.359 nan 8.190 nan 0.000 0.431 270 S N 2.510 118.285 115.700 0.125 0.000 3.849 270 S HA -0.181 4.285 4.470 -0.005 0.000 0.654 270 S C -0.847 173.800 174.600 0.079 0.000 1.808 270 S CA 0.011 58.205 58.200 -0.009 0.000 1.951 270 S CB -0.633 62.576 63.200 0.016 0.000 0.330 270 S HN 0.710 nan 8.310 nan 0.000 1.627 271 Y N 1.641 122.024 120.300 0.139 0.000 2.904 271 Y HA 0.248 4.795 4.550 -0.005 0.000 0.336 271 Y C 1.915 177.878 175.900 0.106 0.000 1.263 271 Y CA 1.210 59.367 58.100 0.095 0.000 1.547 271 Y CB -0.506 38.004 38.460 0.083 0.000 1.272 271 Y HN 1.343 nan 8.280 nan 0.000 0.596 272 G N 1.545 110.486 108.800 0.235 0.000 2.196 272 G HA2 -0.411 3.546 3.960 -0.005 0.000 0.268 272 G HA3 -0.411 3.546 3.960 -0.005 0.000 0.268 272 G C 0.222 175.239 174.900 0.194 0.000 0.975 272 G CA 0.450 45.636 45.100 0.143 0.000 0.648 272 G HN 1.112 nan 8.290 nan 0.000 0.538 273 H N -0.413 118.733 119.070 0.126 0.000 2.604 273 H HA -0.238 4.315 4.556 -0.005 0.000 0.321 273 H C 1.911 177.308 175.328 0.114 0.000 1.132 273 H CA 1.072 57.187 56.048 0.112 0.000 1.129 273 H CB -1.352 28.453 29.762 0.072 0.000 1.526 273 H HN 0.859 nan 8.280 nan 0.000 0.415 274 T N -3.236 111.470 114.554 0.254 0.000 3.085 274 T HA -0.080 4.267 4.350 -0.005 0.000 0.263 274 T C 0.413 175.255 174.700 0.238 0.000 1.127 274 T CA 0.436 62.654 62.100 0.198 0.000 1.103 274 T CB 0.330 69.301 68.868 0.172 0.000 0.921 274 T HN 0.448 nan 8.240 nan 0.000 0.510 275 W N 0.766 122.091 121.300 0.043 0.000 2.739 275 W HA 0.686 5.343 4.660 -0.005 0.000 0.331 275 W C -1.882 174.611 176.519 -0.043 0.000 1.049 275 W CA -1.704 55.645 57.345 0.006 0.000 1.234 275 W CB 1.234 30.699 29.460 0.009 0.000 1.404 275 W HN -0.012 nan 8.180 nan 0.000 0.477 276 I N 5.976 126.126 120.570 -0.701 0.000 2.439 276 I HA 0.396 4.563 4.170 -0.005 0.000 0.285 276 I C 0.397 175.777 176.117 -1.228 0.000 1.021 276 I CA -1.073 59.794 61.300 -0.722 0.000 1.091 276 I CB 1.504 39.274 38.000 -0.384 0.000 1.242 276 I HN 0.591 nan 8.210 nan 0.000 0.439 277 A N 8.985 131.061 122.820 -1.240 0.000 2.520 277 A HA 0.271 4.588 4.320 -0.005 0.000 0.245 277 A C -1.583 175.698 177.584 -0.506 0.000 1.072 277 A CA -0.746 50.653 52.037 -1.063 0.000 0.761 277 A CB -0.284 18.481 19.000 -0.391 0.000 1.004 277 A HN 0.593 nan 8.150 nan 0.000 0.499 278 P HA 0.020 nan 4.420 nan 0.000 0.245 278 P C 0.033 177.278 177.300 -0.093 0.000 1.212 278 P CA 0.634 63.627 63.100 -0.180 0.000 0.774 278 P CB 0.017 31.649 31.700 -0.113 0.000 0.999 279 R N -1.508 118.950 120.500 -0.070 0.000 2.728 279 R HA 0.208 4.545 4.340 -0.005 0.000 0.274 279 R C -1.848 174.456 176.300 0.007 0.000 1.032 279 R CA -0.550 55.538 56.100 -0.020 0.000 0.866 279 R CB -0.348 29.957 30.300 0.008 0.000 1.263 279 R HN -0.325 nan 8.270 nan 0.000 0.475 280 D N 1.207 121.614 120.400 0.010 0.000 2.488 280 D HA 0.330 4.967 4.640 -0.005 0.000 0.238 280 D C -0.091 176.239 176.300 0.049 0.000 1.138 280 D CA 0.974 54.989 54.000 0.025 0.000 0.873 280 D CB 0.981 41.790 40.800 0.015 0.000 1.183 280 D HN 0.523 nan 8.370 nan 0.000 0.458 281 T N 1.322 115.917 114.554 0.068 0.000 2.739 281 T HA 0.292 4.638 4.350 -0.005 0.000 0.303 281 T C -1.449 173.287 174.700 0.061 0.000 1.389 281 T CA -0.853 61.294 62.100 0.078 0.000 1.001 281 T CB 0.997 69.946 68.868 0.135 0.000 1.436 281 T HN 0.164 nan 8.240 nan 0.000 0.500 282 N N 1.790 120.515 118.700 0.042 0.000 2.399 282 N HA 0.646 5.383 4.740 -0.005 0.000 0.295 282 N C -0.889 174.623 175.510 0.004 0.000 1.048 282 N CA -0.394 52.667 53.050 0.020 0.000 0.886 282 N CB 1.358 39.849 38.487 0.007 0.000 1.185 282 N HN 0.488 nan 8.380 nan 0.000 0.487 283 L N 0.544 121.759 121.223 -0.012 0.000 2.323 283 L HA 0.843 5.180 4.340 -0.005 0.000 0.265 283 L C -0.102 176.730 176.870 -0.063 0.000 1.012 283 L CA -1.221 53.590 54.840 -0.049 0.000 0.820 283 L CB 1.838 43.867 42.059 -0.049 0.000 1.334 283 L HN 0.420 nan 8.230 nan 0.000 0.427 284 A N 1.962 124.724 122.820 -0.096 0.000 2.343 284 A HA 0.660 4.977 4.320 -0.005 0.000 0.316 284 A C -1.165 176.322 177.584 -0.161 0.000 1.104 284 A CA -0.440 51.530 52.037 -0.111 0.000 0.768 284 A CB 1.533 20.466 19.000 -0.111 0.000 1.213 284 A HN 0.687 nan 8.150 nan 0.000 0.456 285 L N 3.370 124.503 121.223 -0.151 0.000 2.276 285 L HA 0.569 4.906 4.340 -0.005 0.000 0.286 285 L C -1.163 175.562 176.870 -0.242 0.000 1.061 285 L CA -0.564 54.162 54.840 -0.190 0.000 0.807 285 L CB 0.585 42.567 42.059 -0.128 0.000 1.177 285 L HN 0.654 nan 8.230 nan 0.000 0.429 286 L N 7.500 128.484 121.223 -0.399 0.000 2.287 286 L HA 0.456 4.793 4.340 -0.005 0.000 0.287 286 L C -1.883 174.825 176.870 -0.270 0.000 1.022 286 L CA -1.555 53.044 54.840 -0.401 0.000 0.814 286 L CB 1.532 43.180 42.059 -0.685 0.000 1.217 286 L HN 0.497 nan 8.230 nan 0.000 0.420 287 P HA 0.174 nan 4.420 nan 0.000 0.228 287 P C -0.645 176.642 177.300 -0.022 0.000 1.764 287 P CA 0.173 63.230 63.100 -0.072 0.000 0.929 287 P CB -0.306 31.357 31.700 -0.062 0.000 1.675 288 I N -4.013 116.577 120.570 0.033 0.000 2.828 288 I HA 0.911 5.078 4.170 -0.005 0.000 0.302 288 I C -0.354 175.867 176.117 0.174 0.000 1.101 288 I CA -1.176 60.176 61.300 0.087 0.000 1.031 288 I CB 2.460 40.530 38.000 0.115 0.000 1.231 288 I HN -0.082 nan 8.210 nan 0.000 0.427 289 G N 2.072 110.915 108.800 0.071 0.000 2.947 289 G HA2 0.306 4.263 3.960 -0.005 0.000 0.293 289 G HA3 0.306 4.263 3.960 -0.005 0.000 0.293 289 G C -0.359 174.510 174.900 -0.053 0.000 1.243 289 G CA -0.156 44.951 45.100 0.011 0.000 0.802 289 G HN 0.778 nan 8.290 nan 0.000 0.560 290 Y N -0.857 119.446 120.300 0.005 0.000 2.421 290 Y HA 0.315 4.862 4.550 -0.005 0.000 0.292 290 Y C 2.494 178.364 175.900 -0.049 0.000 1.136 290 Y CA 1.175 59.244 58.100 -0.052 0.000 1.255 290 Y CB -0.874 37.555 38.460 -0.052 0.000 0.991 290 Y HN 0.348 nan 8.280 nan 0.000 0.552 291 A N 0.548 123.335 122.820 -0.054 0.000 2.168 291 A HA -0.073 4.244 4.320 -0.005 0.000 0.215 291 A C 1.397 178.981 177.584 0.000 0.000 1.152 291 A CA 1.264 53.316 52.037 0.024 0.000 0.716 291 A CB -0.527 18.452 19.000 -0.034 0.000 0.794 291 A HN 0.539 nan 8.150 nan 0.000 0.465 292 D N -1.214 119.180 120.400 -0.010 0.000 2.349 292 D HA 0.255 4.892 4.640 -0.005 0.000 0.214 292 D C 1.211 177.517 176.300 0.010 0.000 1.063 292 D CA 0.946 54.949 54.000 0.004 0.000 0.847 292 D CB 0.411 41.223 40.800 0.020 0.000 0.933 292 D HN 0.560 nan 8.370 nan 0.000 0.513 293 G N 0.783 109.569 108.800 -0.023 0.000 2.179 293 G HA2 -0.265 3.692 3.960 -0.005 0.000 0.220 293 G HA3 -0.265 3.692 3.960 -0.005 0.000 0.220 293 G C 0.387 175.218 174.900 -0.115 0.000 0.990 293 G CA -0.203 44.828 45.100 -0.114 0.000 0.646 293 G HN 0.244 nan 8.290 nan 0.000 0.517 294 V N 2.709 122.625 119.914 0.004 0.000 2.364 294 V HA 0.380 4.497 4.120 -0.005 0.000 0.252 294 V C 0.977 176.989 176.094 -0.137 0.000 1.075 294 V CA -0.467 61.823 62.300 -0.017 0.000 1.033 294 V CB -0.777 31.033 31.823 -0.022 0.000 1.116 294 V HN 0.257 nan 8.190 nan 0.000 0.488 295 F N 3.831 123.675 119.950 -0.177 0.000 2.579 295 F HA -0.050 4.474 4.527 -0.005 0.000 0.397 295 F C 1.696 177.382 175.800 -0.190 0.000 1.027 295 F CA 0.482 58.385 58.000 -0.161 0.000 1.217 295 F CB 0.112 38.984 39.000 -0.213 0.000 0.986 295 F HN 0.455 nan 8.300 nan 0.000 0.551 296 R N 1.588 122.110 120.500 0.036 0.000 2.120 296 R HA -0.164 4.173 4.340 -0.005 0.000 0.234 296 R C 2.124 178.393 176.300 -0.052 0.000 1.123 296 R CA 1.498 57.593 56.100 -0.010 0.000 0.975 296 R CB -0.190 30.037 30.300 -0.122 0.000 0.866 296 R HN 0.784 nan 8.270 nan 0.000 0.446 297 S N 0.377 116.050 115.700 -0.044 0.000 2.465 297 S HA -0.121 4.346 4.470 -0.005 0.000 0.241 297 S C 1.826 176.344 174.600 -0.137 0.000 1.000 297 S CA 0.860 59.013 58.200 -0.079 0.000 0.964 297 S CB -0.330 62.824 63.200 -0.078 0.000 0.763 297 S HN 0.369 nan 8.310 nan 0.000 0.512 298 L N 1.488 122.589 121.223 -0.204 0.000 2.465 298 L HA 0.154 4.491 4.340 -0.005 0.000 0.224 298 L C 1.685 178.408 176.870 -0.245 0.000 1.145 298 L CA 0.068 54.721 54.840 -0.312 0.000 0.834 298 L CB -1.040 40.681 42.059 -0.563 0.000 0.944 298 L HN 0.442 nan 8.230 nan 0.000 0.451 299 G N -0.419 108.277 108.800 -0.174 0.000 2.225 299 G HA2 0.266 4.223 3.960 -0.005 0.000 0.245 299 G HA3 0.266 4.223 3.960 -0.005 0.000 0.245 299 G C 1.158 176.013 174.900 -0.074 0.000 1.249 299 G CA 0.238 45.269 45.100 -0.114 0.000 0.919 299 G HN 0.440 nan 8.290 nan 0.000 0.486 300 G N 2.137 110.895 108.800 -0.069 0.000 2.166 300 G HA2 -0.320 3.637 3.960 -0.005 0.000 0.260 300 G HA3 -0.320 3.637 3.960 -0.005 0.000 0.260 300 G C 1.168 176.042 174.900 -0.043 0.000 0.986 300 G CA 0.986 46.058 45.100 -0.046 0.000 0.683 300 G HN 0.815 nan 8.290 nan 0.000 0.527 301 R N -0.989 119.466 120.500 -0.076 0.000 2.350 301 R HA 0.344 4.681 4.340 -0.005 0.000 0.199 301 R C 1.795 178.059 176.300 -0.060 0.000 0.876 301 R CA 0.328 56.389 56.100 -0.065 0.000 1.062 301 R CB 0.050 30.297 30.300 -0.088 0.000 1.263 301 R HN 0.575 nan 8.270 nan 0.000 0.641 302 L N 0.704 121.864 121.223 -0.104 0.000 2.476 302 L HA 0.363 4.700 4.340 -0.005 0.000 0.255 302 L C -0.622 176.286 176.870 0.063 0.000 1.218 302 L CA -0.171 54.651 54.840 -0.030 0.000 0.819 302 L CB 0.604 42.595 42.059 -0.113 0.000 1.119 302 L HN -0.035 nan 8.230 nan 0.000 0.485 303 E N 0.852 121.139 120.200 0.145 0.000 2.266 303 E HA 0.537 4.884 4.350 -0.005 0.000 0.268 303 E C -1.065 175.660 176.600 0.207 0.000 0.879 303 E CA -0.939 55.548 56.400 0.145 0.000 0.762 303 E CB 2.660 32.424 29.700 0.107 0.000 1.199 303 E HN 0.653 nan 8.360 nan 0.000 0.422 304 V N 0.009 120.029 119.914 0.177 0.000 2.881 304 V HA 0.601 4.718 4.120 -0.005 0.000 0.316 304 V C -0.798 175.356 176.094 0.100 0.000 1.070 304 V CA -1.057 61.348 62.300 0.174 0.000 0.976 304 V CB 1.520 33.457 31.823 0.189 0.000 1.038 304 V HN 0.502 nan 8.190 nan 0.000 0.446 305 L N 3.448 124.717 121.223 0.077 0.000 2.272 305 L HA 0.684 5.021 4.340 -0.005 0.000 0.289 305 L C -0.559 176.325 176.870 0.022 0.000 1.032 305 L CA 0.046 54.913 54.840 0.044 0.000 0.810 305 L CB 0.593 42.672 42.059 0.034 0.000 1.205 305 L HN 0.670 nan 8.230 nan 0.000 0.422 306 I N 4.391 124.969 120.570 0.013 0.000 2.499 306 I HA 0.323 4.490 4.170 -0.005 0.000 0.288 306 I C 0.135 176.250 176.117 -0.003 0.000 1.048 306 I CA -0.892 60.407 61.300 -0.002 0.000 1.062 306 I CB 1.576 39.569 38.000 -0.011 0.000 1.238 306 I HN 0.636 nan 8.210 nan 0.000 0.426 307 N N 4.441 123.137 118.700 -0.007 0.000 2.707 307 N HA -0.230 4.507 4.740 -0.005 0.000 0.253 307 N C 0.940 176.449 175.510 -0.001 0.000 0.998 307 N CA 0.689 53.736 53.050 -0.006 0.000 0.751 307 N CB -0.610 37.872 38.487 -0.007 0.000 0.920 307 N HN 1.206 nan 8.380 nan 0.000 0.539 308 G N -1.000 107.801 108.800 0.002 0.000 2.162 308 G HA2 -0.367 3.590 3.960 -0.005 0.000 0.260 308 G HA3 -0.367 3.590 3.960 -0.005 0.000 0.260 308 G C 0.084 174.991 174.900 0.011 0.000 0.976 308 G CA 0.487 45.591 45.100 0.006 0.000 0.655 308 G HN 0.510 nan 8.290 nan 0.000 0.533 309 R N -0.101 120.406 120.500 0.012 0.000 2.670 309 R HA 0.492 4.828 4.340 -0.005 0.000 0.289 309 R C 0.032 176.346 176.300 0.024 0.000 0.965 309 R CA -0.998 55.112 56.100 0.016 0.000 0.899 309 R CB 0.909 31.216 30.300 0.012 0.000 1.173 309 R HN 0.081 nan 8.270 nan 0.000 0.456 310 R N 1.389 121.907 120.500 0.030 0.000 2.390 310 R HA 0.289 4.626 4.340 -0.005 0.000 0.291 310 R C -0.649 175.672 176.300 0.035 0.000 1.070 310 R CA -0.221 55.903 56.100 0.041 0.000 1.014 310 R CB 0.902 31.231 30.300 0.048 0.000 1.007 310 R HN 0.584 nan 8.270 nan 0.000 0.466 311 C N 4.855 124.179 119.300 0.040 0.000 2.344 311 C HA 0.367 4.824 4.460 -0.005 0.000 0.326 311 C C -2.148 172.861 174.990 0.032 0.000 1.201 311 C CA -1.750 57.282 59.018 0.023 0.000 1.410 311 C CB 1.640 29.385 27.740 0.007 0.000 2.070 311 C HN 0.566 nan 8.230 nan 0.000 0.445 312 P HA 0.216 nan 4.420 nan 0.000 0.275 312 P C 0.302 177.580 177.300 -0.036 0.000 1.227 312 P CA 0.664 63.764 63.100 0.000 0.000 0.781 312 P CB 0.775 32.463 31.700 -0.020 0.000 0.906 313 G N 2.009 110.819 108.800 0.016 0.000 2.414 313 G HA2 0.389 4.346 3.960 -0.005 0.000 0.236 313 G HA3 0.389 4.346 3.960 -0.005 0.000 0.236 313 G C -0.091 174.705 174.900 -0.174 0.000 1.293 313 G CA -0.271 44.846 45.100 0.029 0.000 0.869 313 G HN 0.490 nan 8.290 nan 0.000 0.556 314 V N 0.698 120.438 119.914 -0.291 0.000 2.656 314 V HA 0.967 5.084 4.120 -0.005 0.000 0.307 314 V C 0.626 176.542 176.094 -0.296 0.000 1.051 314 V CA 0.043 61.959 62.300 -0.641 0.000 0.893 314 V CB 0.820 31.704 31.823 -1.565 0.000 0.999 314 V HN 2.443 nan 8.190 nan 0.000 0.426 315 G N 3.322 112.059 108.800 -0.105 0.000 2.829 315 G HA2 -0.143 3.814 3.960 -0.005 0.000 0.628 315 G HA3 -0.143 3.814 3.960 -0.005 0.000 0.628 315 G C -0.276 174.672 174.900 0.081 0.000 1.412 315 G CA -0.354 44.803 45.100 0.096 0.000 0.864 315 G HN 1.087 nan 8.290 nan 0.000 0.544 316 R N -0.715 119.862 120.500 0.128 0.000 2.734 316 R HA 0.191 4.528 4.340 -0.005 0.000 0.266 316 R C 0.811 177.192 176.300 0.135 0.000 1.044 316 R CA -0.263 55.917 56.100 0.135 0.000 1.128 316 R CB 0.215 30.641 30.300 0.210 0.000 1.010 316 R HN 0.429 nan 8.270 nan 0.000 0.461 317 I N 2.491 123.131 120.570 0.117 0.000 2.416 317 I HA 0.049 4.216 4.170 -0.005 0.000 0.288 317 I C 0.914 177.192 176.117 0.268 0.000 1.051 317 I CA -0.260 61.118 61.300 0.131 0.000 1.375 317 I CB 0.094 38.100 38.000 0.010 0.000 1.407 317 I HN 0.566 nan 8.210 nan 0.000 0.516 318 C N 5.304 124.717 119.300 0.188 0.000 2.551 318 C HA 0.252 4.709 4.460 -0.005 0.000 0.377 318 C C 2.250 176.997 174.990 -0.406 0.000 1.622 318 C CA -0.548 58.556 59.018 0.144 0.000 1.980 318 C CB 1.058 28.886 27.740 0.146 0.000 1.946 318 C HN 0.925 nan 8.230 nan 0.000 0.525 319 M N 1.447 120.694 119.600 -0.587 0.000 2.159 319 M HA -0.128 4.349 4.480 -0.005 0.000 0.263 319 M C 0.771 176.738 176.300 -0.555 0.000 1.063 319 M CA 2.303 56.939 55.300 -1.106 0.000 1.110 319 M CB -0.106 32.231 32.600 -0.437 0.000 1.374 319 M HN 0.899 nan 8.290 nan 0.000 0.411 320 D N -0.874 119.381 120.400 -0.241 0.000 2.594 320 D HA 0.103 4.740 4.640 -0.005 0.000 0.256 320 D C -0.495 175.786 176.300 -0.032 0.000 1.393 320 D CA -0.297 53.635 54.000 -0.113 0.000 0.797 320 D CB -0.096 40.656 40.800 -0.079 0.000 1.110 320 D HN 0.630 nan 8.370 nan 0.000 0.495 321 Q N -0.588 119.216 119.800 0.007 0.000 2.633 321 Q HA 0.570 4.907 4.340 -0.005 0.000 0.289 321 Q C -1.501 174.616 176.000 0.195 0.000 0.940 321 Q CA -1.184 54.652 55.803 0.055 0.000 0.785 321 Q CB 1.564 30.284 28.738 -0.029 0.000 1.467 321 Q HN 0.068 nan 8.270 nan 0.000 0.401 322 F N -1.437 118.485 119.950 -0.045 0.000 2.741 322 F HA 0.787 5.311 4.527 -0.005 0.000 0.313 322 F C -1.662 174.102 175.800 -0.060 0.000 1.153 322 F CA -1.382 56.591 58.000 -0.046 0.000 0.931 322 F CB 1.547 40.531 39.000 -0.026 0.000 1.335 322 F HN 0.415 nan 8.300 nan 0.000 0.460 323 M N 3.102 122.695 119.600 -0.012 0.000 2.578 323 M HA 0.731 5.208 4.480 -0.005 0.000 0.321 323 M C -0.581 175.655 176.300 -0.106 0.000 1.182 323 M CA -1.001 54.209 55.300 -0.150 0.000 0.965 323 M CB 1.825 34.353 32.600 -0.119 0.000 1.694 323 M HN 0.767 nan 8.290 nan 0.000 0.461 324 V N -1.304 118.509 119.914 -0.169 0.000 2.914 324 V HA 0.677 4.794 4.120 -0.005 0.000 0.314 324 V C -1.131 174.867 176.094 -0.160 0.000 1.084 324 V CA -0.858 61.369 62.300 -0.121 0.000 0.963 324 V CB 2.263 34.053 31.823 -0.055 0.000 1.025 324 V HN 0.803 nan 8.190 nan 0.000 0.432 325 D N 1.907 122.205 120.400 -0.170 0.000 2.274 325 D HA 0.439 5.076 4.640 -0.005 0.000 0.239 325 D C 0.729 176.996 176.300 -0.055 0.000 1.104 325 D CA -0.302 53.617 54.000 -0.136 0.000 0.840 325 D CB 1.513 42.207 40.800 -0.177 0.000 1.100 325 D HN 0.628 nan 8.370 nan 0.000 0.477 326 L N 2.893 124.096 121.223 -0.033 0.000 2.558 326 L HA 0.306 4.643 4.340 -0.005 0.000 0.225 326 L C 1.384 178.258 176.870 0.006 0.000 1.128 326 L CA 0.185 55.017 54.840 -0.013 0.000 0.868 326 L CB -0.870 41.180 42.059 -0.016 0.000 1.006 326 L HN 0.651 nan 8.230 nan 0.000 0.454 327 G N 1.217 110.029 108.800 0.021 0.000 2.781 327 G HA2 -0.182 3.775 3.960 -0.005 0.000 0.683 327 G HA3 -0.182 3.775 3.960 -0.005 0.000 0.683 327 G C -2.346 172.575 174.900 0.035 0.000 1.390 327 G CA -0.325 44.797 45.100 0.037 0.000 0.850 327 G HN 0.062 nan 8.290 nan 0.000 0.557 328 P HA 0.216 nan 4.420 nan 0.000 0.255 328 P C 1.266 178.579 177.300 0.021 0.000 1.248 328 P CA 1.118 64.237 63.100 0.031 0.000 0.807 328 P CB 0.262 31.983 31.700 0.034 0.000 1.150 329 G N 1.891 110.703 108.800 0.019 0.000 2.651 329 G HA2 0.293 4.250 3.960 -0.005 0.000 0.260 329 G HA3 0.293 4.250 3.960 -0.005 0.000 0.260 329 G C -2.333 172.573 174.900 0.010 0.000 1.216 329 G CA -0.987 44.121 45.100 0.014 0.000 0.913 329 G HN 0.038 nan 8.290 nan 0.000 0.535 330 P HA 0.041 nan 4.420 nan 0.000 0.260 330 P C -0.101 177.201 177.300 0.003 0.000 1.172 330 P CA -0.300 62.803 63.100 0.005 0.000 0.760 330 P CB 0.482 32.185 31.700 0.004 0.000 0.773 331 L N 4.560 125.784 121.223 0.002 0.000 2.500 331 L HA 0.097 4.434 4.340 -0.005 0.000 0.272 331 L C 0.338 177.206 176.870 -0.003 0.000 1.149 331 L CA 0.524 55.363 54.840 -0.001 0.000 0.897 331 L CB -0.292 41.766 42.059 -0.003 0.000 1.178 331 L HN 0.314 nan 8.230 nan 0.000 0.473 332 D N 3.542 123.939 120.400 -0.004 0.000 2.593 332 D HA 0.203 4.840 4.640 -0.005 0.000 0.241 332 D C -0.379 175.916 176.300 -0.010 0.000 1.257 332 D CA -0.162 53.834 54.000 -0.006 0.000 0.828 332 D CB 0.005 40.803 40.800 -0.003 0.000 1.049 332 D HN 0.197 nan 8.370 nan 0.000 0.490 333 V N 0.098 120.004 119.914 -0.013 0.000 2.735 333 V HA 0.867 4.984 4.120 -0.005 0.000 0.310 333 V C -0.275 175.807 176.094 -0.021 0.000 1.061 333 V CA -1.055 61.233 62.300 -0.019 0.000 0.913 333 V CB 1.742 33.550 31.823 -0.025 0.000 1.005 333 V HN 0.384 nan 8.190 nan 0.000 0.428 334 A N 2.641 125.447 122.820 -0.023 0.000 2.423 334 A HA 0.781 5.098 4.320 -0.005 0.000 0.304 334 A C -0.436 177.130 177.584 -0.030 0.000 1.104 334 A CA -0.744 51.279 52.037 -0.024 0.000 0.757 334 A CB 1.022 20.010 19.000 -0.019 0.000 1.313 334 A HN 0.835 nan 8.150 nan 0.000 0.423 335 E N -0.193 119.989 120.200 -0.030 0.000 2.529 335 E HA 0.304 4.651 4.350 -0.005 0.000 0.259 335 E C 1.223 177.805 176.600 -0.031 0.000 0.966 335 E CA 1.838 58.218 56.400 -0.034 0.000 0.937 335 E CB 0.252 29.934 29.700 -0.031 0.000 0.923 335 E HN 1.454 nan 8.360 nan 0.000 0.468 336 G N 3.170 111.949 108.800 -0.036 0.000 2.254 336 G HA2 -0.224 3.733 3.960 -0.005 0.000 0.225 336 G HA3 -0.224 3.733 3.960 -0.005 0.000 0.225 336 G C 0.040 174.921 174.900 -0.033 0.000 1.003 336 G CA -0.005 45.076 45.100 -0.032 0.000 0.622 336 G HN 0.572 nan 8.290 nan 0.000 0.507 337 D N 0.890 121.270 120.400 -0.033 0.000 2.363 337 D HA 0.405 5.042 4.640 -0.005 0.000 0.240 337 D C 0.585 176.863 176.300 -0.037 0.000 1.236 337 D CA 0.170 54.151 54.000 -0.031 0.000 0.927 337 D CB 0.543 41.325 40.800 -0.029 0.000 1.150 337 D HN 0.493 nan 8.370 nan 0.000 0.458 338 E N -0.353 119.827 120.200 -0.034 0.000 2.174 338 E HA 0.489 4.836 4.350 -0.005 0.000 0.282 338 E C -1.498 175.082 176.600 -0.033 0.000 0.992 338 E CA -0.824 55.554 56.400 -0.037 0.000 0.803 338 E CB 0.946 30.625 29.700 -0.036 0.000 1.090 338 E HN 0.386 nan 8.360 nan 0.000 0.396 339 A N 5.940 128.738 122.820 -0.036 0.000 2.288 339 A HA 0.482 4.799 4.320 -0.005 0.000 0.320 339 A C -0.437 177.138 177.584 -0.015 0.000 1.217 339 A CA -0.705 51.319 52.037 -0.021 0.000 0.840 339 A CB 0.445 19.428 19.000 -0.029 0.000 1.179 339 A HN 0.687 nan 8.150 nan 0.000 0.504 340 I N 3.875 124.443 120.570 -0.004 0.000 2.312 340 I HA 0.158 4.325 4.170 -0.005 0.000 0.290 340 I C 0.311 176.444 176.117 0.027 0.000 1.008 340 I CA -0.465 60.820 61.300 -0.026 0.000 1.226 340 I CB 1.360 39.337 38.000 -0.038 0.000 1.371 340 I HN 0.597 nan 8.210 nan 0.000 0.468 341 L N 7.031 128.256 121.223 0.004 0.000 2.102 341 L HA 0.154 4.491 4.340 -0.005 0.000 0.202 341 L C 0.180 177.081 176.870 0.051 0.000 1.076 341 L CA 1.558 56.487 54.840 0.148 0.000 0.761 341 L CB -0.351 41.862 42.059 0.257 0.000 0.921 341 L HN 0.654 nan 8.230 nan 0.000 0.444 342 F N -3.161 116.637 119.950 -0.253 0.000 2.711 342 F HA 0.788 5.311 4.527 -0.005 0.000 0.313 342 F C -0.156 175.526 175.800 -0.197 0.000 1.141 342 F CA -0.704 57.113 58.000 -0.305 0.000 0.941 342 F CB 0.821 39.443 39.000 -0.630 0.000 1.349 342 F HN -0.083 nan 8.300 nan 0.000 0.464 343 G N -0.448 108.424 108.800 0.121 0.000 2.494 343 G HA2 0.458 4.415 3.960 -0.005 0.000 0.308 343 G HA3 0.458 4.415 3.960 -0.005 0.000 0.308 343 G C -2.938 172.013 174.900 0.084 0.000 1.263 343 G CA -0.472 44.657 45.100 0.047 0.000 0.840 343 G HN 0.453 nan 8.290 nan 0.000 0.479 344 P HA 0.076 nan 4.420 nan 0.000 0.221 344 P C 1.347 178.666 177.300 0.031 0.000 1.150 344 P CA 2.254 65.376 63.100 0.037 0.000 0.800 344 P CB 0.381 32.089 31.700 0.013 0.000 0.787 345 G N -0.624 108.192 108.800 0.026 0.000 2.201 345 G HA2 -0.236 3.721 3.960 -0.005 0.000 0.212 345 G HA3 -0.236 3.721 3.960 -0.005 0.000 0.212 345 G C 0.912 175.820 174.900 0.015 0.000 0.994 345 G CA 0.176 45.292 45.100 0.027 0.000 0.644 345 G HN 0.308 nan 8.290 nan 0.000 0.508 346 I N 0.102 120.675 120.570 0.004 0.000 2.454 346 I HA -0.044 4.123 4.170 -0.005 0.000 0.254 346 I C 2.529 178.646 176.117 -0.001 0.000 1.156 346 I CA 1.268 62.566 61.300 -0.003 0.000 1.433 346 I CB -0.148 37.843 38.000 -0.015 0.000 1.082 346 I HN 0.132 nan 8.210 nan 0.000 0.432 347 R N 0.452 120.952 120.500 0.001 0.000 2.388 347 R HA 0.209 4.546 4.340 -0.005 0.000 0.247 347 R C 1.192 177.498 176.300 0.009 0.000 0.931 347 R CA 0.542 56.643 56.100 0.001 0.000 1.082 347 R CB 0.538 30.835 30.300 -0.004 0.000 1.135 347 R HN 0.428 nan 8.270 nan 0.000 0.525 348 G N 1.732 110.541 108.800 0.015 0.000 2.176 348 G HA2 -0.296 3.660 3.960 -0.005 0.000 0.253 348 G HA3 -0.296 3.660 3.960 -0.005 0.000 0.253 348 G C 0.103 175.022 174.900 0.033 0.000 0.979 348 G CA 0.371 45.485 45.100 0.023 0.000 0.641 348 G HN 0.469 nan 8.290 nan 0.000 0.530 349 E N 1.105 121.324 120.200 0.031 0.000 2.409 349 E HA 0.405 4.752 4.350 -0.005 0.000 0.257 349 E C -2.419 174.219 176.600 0.064 0.000 1.150 349 E CA -1.443 54.984 56.400 0.045 0.000 0.942 349 E CB 0.370 30.086 29.700 0.027 0.000 0.979 349 E HN 0.202 nan 8.360 nan 0.000 0.447 350 P HA 0.070 nan 4.420 nan 0.000 0.272 350 P C -0.362 176.994 177.300 0.092 0.000 1.240 350 P CA -0.012 63.155 63.100 0.111 0.000 0.791 350 P CB 0.470 32.282 31.700 0.186 0.000 0.978 351 T N -3.079 111.514 114.554 0.065 0.000 2.948 351 T HA 0.582 4.929 4.350 -0.005 0.000 0.285 351 T C 1.211 175.834 174.700 -0.128 0.000 1.019 351 T CA -0.267 61.851 62.100 0.031 0.000 1.013 351 T CB 1.037 69.929 68.868 0.039 0.000 1.117 351 T HN 0.261 nan 8.240 nan 0.000 0.533 352 A N 0.100 122.769 122.820 -0.251 0.000 1.972 352 A HA -0.080 4.237 4.320 -0.005 0.000 0.219 352 A C 2.327 179.817 177.584 -0.156 0.000 1.169 352 A CA 1.944 53.651 52.037 -0.551 0.000 0.635 352 A CB -1.215 17.497 19.000 -0.480 0.000 0.810 352 A HN 0.859 nan 8.150 nan 0.000 0.446 353 Q N 0.384 120.181 119.800 -0.005 0.000 2.170 353 Q HA -0.183 4.154 4.340 -0.005 0.000 0.203 353 Q C 1.266 177.280 176.000 0.022 0.000 0.976 353 Q CA 2.082 57.903 55.803 0.030 0.000 0.858 353 Q CB -0.310 28.468 28.738 0.066 0.000 0.907 353 Q HN 0.637 nan 8.270 nan 0.000 0.433 354 D N -1.092 119.338 120.400 0.050 0.000 2.097 354 D HA -0.157 4.480 4.640 -0.005 0.000 0.195 354 D C 1.337 177.739 176.300 0.170 0.000 0.989 354 D CA 1.007 55.068 54.000 0.101 0.000 0.827 354 D CB -0.455 40.427 40.800 0.136 0.000 0.966 354 D HN 0.354 nan 8.370 nan 0.000 0.456 355 W N 1.750 122.986 121.300 -0.107 0.000 2.318 355 W HA -0.090 4.567 4.660 -0.005 0.000 0.313 355 W C 2.688 179.075 176.519 -0.220 0.000 1.221 355 W CA 1.156 58.409 57.345 -0.153 0.000 1.266 355 W CB -1.200 28.145 29.460 -0.191 0.000 1.150 355 W HN -0.026 nan 8.180 nan 0.000 0.496 356 A N 0.082 122.917 122.820 0.024 0.000 1.917 356 A HA -0.249 4.068 4.320 -0.005 0.000 0.219 356 A C 1.819 179.344 177.584 -0.097 0.000 1.182 356 A CA 2.310 54.292 52.037 -0.091 0.000 0.633 356 A CB -0.919 18.032 19.000 -0.083 0.000 0.819 356 A HN 0.226 nan 8.150 nan 0.000 0.448 357 D N -0.101 120.268 120.400 -0.051 0.000 2.117 357 D HA -0.093 4.544 4.640 -0.005 0.000 0.198 357 D C 1.974 178.234 176.300 -0.066 0.000 0.982 357 D CA 1.059 55.028 54.000 -0.052 0.000 0.828 357 D CB -0.337 40.449 40.800 -0.023 0.000 0.967 357 D HN 0.473 nan 8.370 nan 0.000 0.464 358 L N 0.339 121.522 121.223 -0.067 0.000 2.056 358 L HA -0.123 4.214 4.340 -0.005 0.000 0.207 358 L C 2.467 179.252 176.870 -0.142 0.000 1.078 358 L CA 0.632 55.415 54.840 -0.095 0.000 0.749 358 L CB -0.200 41.793 42.059 -0.110 0.000 0.901 358 L HN -0.071 nan 8.230 nan 0.000 0.433 359 V N -0.558 119.232 119.914 -0.206 0.000 2.788 359 V HA 0.081 4.198 4.120 -0.005 0.000 0.251 359 V C 1.430 177.412 176.094 -0.186 0.000 1.068 359 V CA 1.168 63.315 62.300 -0.255 0.000 1.090 359 V CB -0.389 31.147 31.823 -0.478 0.000 0.710 359 V HN 0.701 nan 8.190 nan 0.000 0.467 360 G N 0.216 108.924 108.800 -0.154 0.000 2.207 360 G HA2 -0.195 3.762 3.960 -0.005 0.000 0.216 360 G HA3 -0.195 3.762 3.960 -0.005 0.000 0.216 360 G C 0.126 174.954 174.900 -0.119 0.000 1.053 360 G CA 0.484 45.515 45.100 -0.115 0.000 0.764 360 G HN 0.624 nan 8.290 nan 0.000 0.495 361 T N -1.003 113.465 114.554 -0.143 0.000 2.550 361 T HA 0.815 5.162 4.350 -0.005 0.000 0.256 361 T C -0.081 174.560 174.700 -0.099 0.000 0.866 361 T CA 0.066 62.094 62.100 -0.120 0.000 1.163 361 T CB 1.036 69.809 68.868 -0.158 0.000 1.460 361 T HN 1.213 nan 8.240 nan 0.000 0.498 362 I N 0.138 120.675 120.570 -0.055 0.000 2.785 362 I HA 0.561 4.728 4.170 -0.005 0.000 0.302 362 I C 1.138 177.312 176.117 0.095 0.000 1.069 362 I CA -1.075 60.211 61.300 -0.023 0.000 1.045 362 I CB 1.893 39.927 38.000 0.057 0.000 1.236 362 I HN 0.832 nan 8.210 nan 0.000 0.429 363 H N 2.488 121.625 119.070 0.111 0.000 2.457 363 H HA -0.130 4.422 4.556 -0.006 0.000 0.297 363 H C 1.196 176.581 175.328 0.094 0.000 1.092 363 H CA 1.451 57.519 56.048 0.033 0.000 1.309 363 H CB -1.347 28.397 29.762 -0.031 0.000 1.382 363 H HN 0.704 nan 8.280 nan 0.000 0.535 364 Y N 1.110 121.638 120.300 0.380 0.000 2.151 364 Y HA -0.207 4.340 4.550 -0.006 0.000 0.284 364 Y C 2.807 178.762 175.900 0.092 0.000 1.166 364 Y CA 1.818 60.026 58.100 0.180 0.000 1.163 364 Y CB -0.306 38.216 38.460 0.103 0.000 0.974 364 Y HN 0.427 nan 8.280 nan 0.000 0.511 365 E N -0.069 120.305 120.200 0.290 0.000 2.158 365 E HA -0.113 4.234 4.350 -0.005 0.000 0.191 365 E C 2.115 178.917 176.600 0.338 0.000 0.982 365 E CA 0.907 57.451 56.400 0.240 0.000 0.823 365 E CB -0.009 29.808 29.700 0.195 0.000 0.766 365 E HN 0.256 nan 8.360 nan 0.000 0.468 366 V N 1.209 121.299 119.914 0.295 0.000 2.295 366 V HA -0.246 3.871 4.120 -0.005 0.000 0.246 366 V C 2.530 178.757 176.094 0.222 0.000 1.049 366 V CA 1.807 64.308 62.300 0.335 0.000 1.024 366 V CB -0.406 31.437 31.823 0.033 0.000 0.648 366 V HN 0.436 nan 8.190 nan 0.000 0.447 367 V N -0.972 119.024 119.914 0.138 0.000 3.217 367 V HA -0.037 4.080 4.120 -0.005 0.000 0.264 367 V C 1.987 178.144 176.094 0.105 0.000 1.135 367 V CA 1.621 64.006 62.300 0.140 0.000 1.142 367 V CB -1.149 30.776 31.823 0.169 0.000 0.754 367 V HN 0.677 nan 8.190 nan 0.000 0.484 368 T N -3.657 110.969 114.554 0.119 0.000 3.144 368 T HA 0.134 4.481 4.350 -0.005 0.000 0.249 368 T C 1.665 176.407 174.700 0.071 0.000 1.089 368 T CA 0.862 63.005 62.100 0.073 0.000 0.989 368 T CB 0.383 69.275 68.868 0.042 0.000 0.992 368 T HN 0.443 nan 8.240 nan 0.000 0.540 369 S N 1.699 117.465 115.700 0.109 0.000 2.404 369 S HA 0.217 4.684 4.470 -0.005 0.000 0.223 369 S C -1.851 172.755 174.600 0.009 0.000 1.040 369 S CA -0.426 57.786 58.200 0.020 0.000 0.957 369 S CB -0.924 62.230 63.200 -0.077 0.000 0.826 369 S HN 0.339 nan 8.310 nan 0.000 0.491 370 P HA 0.138 nan 4.420 nan 0.000 0.264 370 P C -0.153 177.147 177.300 -0.001 0.000 1.183 370 P CA 0.430 63.552 63.100 0.036 0.000 0.763 370 P CB 0.513 32.221 31.700 0.014 0.000 0.807 371 R N 1.340 121.837 120.500 -0.004 0.000 3.519 371 R HA 0.630 4.966 4.340 -0.005 0.000 0.259 371 R C 0.695 176.991 176.300 -0.007 0.000 0.988 371 R CA -0.564 55.531 56.100 -0.009 0.000 0.836 371 R CB -0.640 29.655 30.300 -0.008 0.000 1.632 371 R HN 0.503 nan 8.270 nan 0.000 0.406 372 G N 0.666 109.462 108.800 -0.006 0.000 2.646 372 G HA2 -0.424 3.533 3.960 -0.005 0.000 0.324 372 G HA3 -0.424 3.533 3.960 -0.005 0.000 0.324 372 G C 0.625 175.519 174.900 -0.010 0.000 1.195 372 G CA 1.030 46.126 45.100 -0.007 0.000 0.976 372 G HN 0.564 nan 8.290 nan 0.000 0.546 373 R N 0.280 120.774 120.500 -0.011 0.000 2.317 373 R HA 0.395 4.732 4.340 -0.005 0.000 0.208 373 R C 0.956 177.244 176.300 -0.019 0.000 0.914 373 R CA -0.028 56.063 56.100 -0.014 0.000 1.060 373 R CB 0.047 30.338 30.300 -0.014 0.000 1.015 373 R HN 0.499 nan 8.270 nan 0.000 0.498 374 I N 1.896 122.454 120.570 -0.019 0.000 2.483 374 I HA -0.010 4.157 4.170 -0.005 0.000 0.291 374 I C -0.060 176.027 176.117 -0.050 0.000 1.112 374 I CA 0.392 61.670 61.300 -0.037 0.000 1.350 374 I CB 0.851 38.830 38.000 -0.035 0.000 1.419 374 I HN -0.031 nan 8.210 nan 0.000 0.523 375 T N 6.948 121.468 114.554 -0.057 0.000 2.780 375 T HA 0.201 4.548 4.350 -0.005 0.000 0.294 375 T C 0.342 174.983 174.700 -0.097 0.000 0.949 375 T CA -0.440 61.626 62.100 -0.058 0.000 1.074 375 T CB 0.566 69.409 68.868 -0.042 0.000 0.910 375 T HN 0.485 nan 8.240 nan 0.000 0.501 376 R N 2.817 123.255 120.500 -0.104 0.000 2.347 376 R HA 0.378 4.715 4.340 -0.005 0.000 0.304 376 R C 0.234 176.394 176.300 -0.234 0.000 1.072 376 R CA -0.145 55.834 56.100 -0.202 0.000 0.980 376 R CB 0.249 30.442 30.300 -0.178 0.000 0.986 376 R HN 0.812 nan 8.270 nan 0.000 0.448 377 T N 0.535 114.867 114.554 -0.371 0.000 2.901 377 T HA 0.491 4.838 4.350 -0.005 0.000 0.293 377 T C -1.089 173.333 174.700 -0.462 0.000 1.084 377 T CA -0.765 61.187 62.100 -0.246 0.000 1.008 377 T CB 1.203 70.002 68.868 -0.116 0.000 1.170 377 T HN 0.446 nan 8.240 nan 0.000 0.509 378 Y N -0.565 119.734 120.300 -0.002 0.000 2.477 378 Y HA 0.635 5.181 4.550 -0.006 0.000 0.347 378 Y C 0.267 176.169 175.900 0.003 0.000 0.981 378 Y CA -1.216 56.888 58.100 0.008 0.000 1.033 378 Y CB 2.199 40.670 38.460 0.018 0.000 1.245 378 Y HN 0.700 nan 8.280 nan 0.000 0.455 379 R N 2.778 123.366 120.500 0.146 0.000 2.229 379 R HA 0.267 4.604 4.340 -0.005 0.000 0.332 379 R C -0.698 175.660 176.300 0.098 0.000 0.989 379 R CA -0.594 55.559 56.100 0.088 0.000 0.842 379 R CB 0.709 31.036 30.300 0.044 0.000 1.119 379 R HN 0.649 nan 8.270 nan 0.000 0.456 380 E N 2.030 122.273 120.200 0.071 0.000 2.422 380 E HA 0.070 4.417 4.350 -0.005 0.000 0.260 380 E C -0.020 176.603 176.600 0.039 0.000 1.108 380 E CA 0.207 56.636 56.400 0.050 0.000 0.943 380 E CB 0.759 30.476 29.700 0.028 0.000 0.961 380 E HN 0.713 nan 8.360 nan 0.000 0.443 381 A N 0.000 122.839 122.820 0.031 0.000 2.254 381 A HA 0.000 4.317 4.320 -0.005 0.000 0.244 381 A CA 0.000 52.053 52.037 0.026 0.000 0.836 381 A CB 0.000 19.015 19.000 0.024 0.000 0.831 381 A HN 0.000 nan 8.150 nan 0.000 0.486