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 3aef_1_A DATA FIRST_RESID 10 DATA SEQUENCE STQYPVVDHE FDAVVVGAGG AGLRAAFGLS EAGFNTACVT KLFPTRSHTV DATA SEQUENCE AAQGGINAAL GNMEEDNWRW HFYDTVKGSD WLGDQDAIHY MTEQAPASVV DATA SEQUENCE ELENYGMPFS RTEDGKIYQR AFGGQSLKFG KGGQAHRCCC VADRTGHSLL DATA SEQUENCE HTLYGRSLRY DTSYFVEYFA LDLLMENGEC RGVIALCIED GSIHRIRARN DATA SEQUENCE TVVATGGYGR TYFSCTSAHT STGDGTAMVT RAGLPCQDLE FVQFHPTGIY DATA SEQUENCE GAGCLITEGC RGEGGILINS QGERFMERYA PVAKDLASRD VVSRSMTLEI DATA SEQUENCE REGRGCGPEK DHVYLQLHHL PPEQLAVRLP GISETAMIFA GVDVTKEPIP DATA SEQUENCE VLPTVHYNMG GIPTNYKGQV LRHVNGQDQV VPGLYACGEA ACASVHGANR DATA SEQUENCE LGANSLLDLV VFGRACALSI AESCRPGDKV PSIKPNAGEE SVMNLDKLRF DATA SEQUENCE ANGTIRTSEL RLSMQKSMQS HAAVFRVGSV LQEGCEKILR LYGDLQHLKT DATA SEQUENCE FDRGMVWNTD LVETLELQNL MLCALQTIYG AEARKESRGA HAREDFKERV DATA SEQUENCE DEYDYSKPIQ GQQKKPFQEH WRKHTLSYVD VKTGKVSLEY RPVIDKTLNE DATA SEQUENCE ADCATVPPAI RSY VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 10 S HA 0.000 nan 4.470 nan 0.000 0.327 10 S C 0.000 174.685 174.600 0.142 0.000 1.055 10 S CA 0.000 58.263 58.200 0.105 0.000 1.107 10 S CB 0.000 63.251 63.200 0.085 0.000 0.593 11 T N 2.215 116.821 114.554 0.086 0.000 3.607 11 T HA 0.106 -0.039 4.350 -7.491 0.000 0.225 11 T C 1.284 176.005 174.700 0.035 0.000 0.904 11 T CA 0.101 62.245 62.100 0.073 0.000 0.962 11 T CB -0.050 68.844 68.868 0.042 0.000 1.221 11 T HN 0.535 nan 8.240 nan 0.000 0.641 12 Q N 0.864 120.682 119.800 0.031 0.000 2.187 12 Q HA -0.006 -0.161 4.340 -7.491 0.000 0.199 12 Q C -0.378 175.482 176.000 -0.233 0.000 0.957 12 Q CA 1.136 56.868 55.803 -0.119 0.000 0.857 12 Q CB -0.103 28.529 28.738 -0.175 0.000 0.929 12 Q HN 0.615 nan 8.270 nan 0.000 0.453 13 Y N 1.851 122.167 120.300 0.027 0.000 2.367 13 Y HA 0.409 0.465 4.550 -7.491 0.000 0.342 13 Y C -2.018 173.882 175.900 -0.000 0.000 0.979 13 Y CA -3.046 55.062 58.100 0.015 0.000 1.161 13 Y CB 0.789 39.258 38.460 0.016 0.000 1.155 13 Y HN 0.137 nan 8.280 nan 0.000 0.503 14 P HA 0.066 nan 4.420 nan 0.000 0.271 14 P C -0.811 176.500 177.300 0.018 0.000 1.233 14 P CA -0.308 62.816 63.100 0.041 0.000 0.764 14 P CB 0.554 32.264 31.700 0.015 0.000 0.825 15 V N 2.525 122.443 119.914 0.006 0.000 2.432 15 V HA 0.423 0.048 4.120 -7.491 0.000 0.275 15 V C -0.037 176.014 176.094 -0.072 0.000 1.043 15 V CA -0.618 61.666 62.300 -0.027 0.000 0.925 15 V CB 1.285 33.111 31.823 0.004 0.000 0.985 15 V HN 0.181 nan 8.190 nan 0.000 0.466 16 V N 3.904 123.727 119.914 -0.150 0.000 2.378 16 V HA 0.411 0.036 4.120 -7.491 0.000 0.288 16 V C -0.497 175.572 176.094 -0.043 0.000 1.016 16 V CA -0.317 61.899 62.300 -0.140 0.000 0.840 16 V CB 1.340 33.032 31.823 -0.219 0.000 0.994 16 V HN 0.962 nan 8.190 nan 0.000 0.431 17 D N 3.247 123.598 120.400 -0.082 0.000 2.249 17 D HA 0.438 0.583 4.640 -7.491 0.000 0.246 17 D C -0.196 176.017 176.300 -0.145 0.000 1.114 17 D CA 0.034 54.016 54.000 -0.031 0.000 0.854 17 D CB 0.543 41.333 40.800 -0.017 0.000 1.132 17 D HN 0.545 nan 8.370 nan 0.000 0.461 18 H N 1.259 120.409 119.070 0.134 0.000 2.621 18 H HA 0.455 0.517 4.556 -7.491 0.000 0.360 18 H C -0.653 174.723 175.328 0.079 0.000 1.163 18 H CA -0.658 55.484 56.048 0.156 0.000 1.194 18 H CB 2.058 32.043 29.762 0.371 0.000 1.649 18 H HN 0.404 nan 8.280 nan 0.000 0.532 19 E N 2.209 122.412 120.200 0.006 0.000 2.265 19 E HA 0.356 0.212 4.350 -7.491 0.000 0.262 19 E C -1.619 174.780 176.600 -0.335 0.000 0.889 19 E CA -0.343 56.018 56.400 -0.065 0.000 0.789 19 E CB 1.101 30.754 29.700 -0.078 0.000 1.221 19 E HN 0.284 nan 8.360 nan 0.000 0.414 20 F N 1.459 121.451 119.950 0.070 0.000 2.620 20 F HA 0.283 0.315 4.527 -7.491 0.000 0.320 20 F C 1.119 176.955 175.800 0.061 0.000 1.069 20 F CA -0.761 57.277 58.000 0.064 0.000 0.953 20 F CB 1.558 40.586 39.000 0.046 0.000 1.322 20 F HN 0.388 nan 8.300 nan 0.000 0.479 21 D N 0.713 121.290 120.400 0.294 0.000 2.117 21 D HA 0.127 0.272 4.640 -7.491 0.000 0.198 21 D C 0.193 176.602 176.300 0.181 0.000 0.982 21 D CA 1.299 55.454 54.000 0.258 0.000 0.828 21 D CB 0.164 41.207 40.800 0.404 0.000 0.967 21 D HN 0.416 nan 8.370 nan 0.000 0.464 22 A N -0.181 122.725 122.820 0.144 0.000 2.520 22 A HA 0.563 0.388 4.320 -7.491 0.000 0.298 22 A C -1.112 176.416 177.584 -0.094 0.000 1.051 22 A CA -0.644 51.378 52.037 -0.025 0.000 0.690 22 A CB 1.764 20.672 19.000 -0.153 0.000 1.281 22 A HN -0.110 nan 8.150 nan 0.000 0.402 23 V N 0.849 120.677 119.914 -0.142 0.000 2.604 23 V HA 0.705 0.330 4.120 -7.491 0.000 0.305 23 V C -0.373 175.601 176.094 -0.199 0.000 1.043 23 V CA -0.777 61.391 62.300 -0.220 0.000 0.888 23 V CB 1.515 33.214 31.823 -0.206 0.000 0.995 23 V HN 0.687 nan 8.190 nan 0.000 0.429 24 V N 4.166 123.947 119.914 -0.222 0.000 2.448 24 V HA 0.423 0.048 4.120 -7.491 0.000 0.295 24 V C -0.200 175.799 176.094 -0.158 0.000 1.025 24 V CA -0.599 61.596 62.300 -0.175 0.000 0.859 24 V CB 1.984 33.703 31.823 -0.173 0.000 0.988 24 V HN 0.673 nan 8.190 nan 0.000 0.431 25 V N 4.149 123.986 119.914 -0.127 0.000 2.304 25 V HA 0.890 0.515 4.120 -7.491 0.000 0.269 25 V C 0.613 176.654 176.094 -0.089 0.000 1.036 25 V CA 0.289 62.518 62.300 -0.118 0.000 0.840 25 V CB 0.332 32.079 31.823 -0.126 0.000 1.036 25 V HN 1.246 nan 8.190 nan 0.000 0.466 26 G N 3.566 112.325 108.800 -0.068 0.000 2.351 26 G HA2 0.500 -0.035 3.960 -7.491 0.000 0.472 26 G HA3 0.500 -0.035 3.960 -7.491 0.000 0.472 26 G C -0.454 174.439 174.900 -0.011 0.000 1.570 26 G CA -0.084 44.992 45.100 -0.039 0.000 0.921 26 G HN 1.222 nan 8.290 nan 0.000 0.674 27 A N 0.542 123.362 122.820 0.000 0.000 2.585 27 A HA 0.791 0.616 4.320 -7.491 0.000 0.281 27 A C 1.137 178.715 177.584 -0.010 0.000 0.945 27 A CA 1.134 53.182 52.037 0.017 0.000 1.031 27 A CB -0.078 18.934 19.000 0.020 0.000 1.221 27 A HN 2.114 nan 8.150 nan 0.000 0.496 28 G N -0.843 107.959 108.800 0.004 0.000 2.516 28 G HA2 0.404 -0.131 3.960 -7.491 0.000 0.276 28 G HA3 0.404 -0.131 3.960 -7.491 0.000 0.276 28 G C 1.170 176.090 174.900 0.032 0.000 1.390 28 G CA 0.177 45.286 45.100 0.015 0.000 1.050 28 G HN 0.602 nan 8.290 nan 0.000 0.519 29 G N -0.184 108.645 108.800 0.047 0.000 2.446 29 G HA2 -0.010 -0.545 3.960 -7.491 0.000 0.217 29 G HA3 -0.010 -0.545 3.960 -7.491 0.000 0.217 29 G C 2.036 176.968 174.900 0.053 0.000 1.168 29 G CA 2.014 47.154 45.100 0.066 0.000 0.771 29 G HN 0.952 nan 8.290 nan 0.000 0.551 30 A N 0.948 123.801 122.820 0.056 0.000 1.873 30 A HA 0.067 -0.108 4.320 -7.491 0.000 0.218 30 A C 2.769 180.351 177.584 -0.003 0.000 1.193 30 A CA 2.439 54.502 52.037 0.043 0.000 0.629 30 A CB -1.329 17.711 19.000 0.067 0.000 0.826 30 A HN 0.647 nan 8.150 nan 0.000 0.447 31 G N -0.535 108.266 108.800 0.001 0.000 2.446 31 G HA2 -0.143 -0.678 3.960 -7.491 0.000 0.217 31 G HA3 -0.143 -0.678 3.960 -7.491 0.000 0.217 31 G C 1.417 176.303 174.900 -0.025 0.000 1.168 31 G CA 1.290 46.378 45.100 -0.019 0.000 0.771 31 G HN 0.335 nan 8.290 nan 0.000 0.551 32 L N 0.392 121.630 121.223 0.024 0.000 1.994 32 L HA 0.060 -0.094 4.340 -7.491 0.000 0.208 32 L C 2.803 179.590 176.870 -0.139 0.000 1.071 32 L CA 1.584 56.475 54.840 0.086 0.000 0.745 32 L CB -1.000 41.173 42.059 0.189 0.000 0.892 32 L HN 0.152 nan 8.230 nan 0.000 0.431 33 R N -0.130 120.237 120.500 -0.221 0.000 2.105 33 R HA -0.137 -0.292 4.340 -7.491 0.000 0.239 33 R C 2.112 178.069 176.300 -0.572 0.000 1.135 33 R CA 1.682 57.462 56.100 -0.534 0.000 0.967 33 R CB -0.710 29.468 30.300 -0.203 0.000 0.861 33 R HN 0.392 nan 8.270 nan 0.000 0.442 34 A N -0.100 122.529 122.820 -0.318 0.000 1.855 34 A HA 0.028 -0.147 4.320 -7.491 0.000 0.215 34 A C 2.361 179.761 177.584 -0.307 0.000 1.191 34 A CA 1.661 53.529 52.037 -0.282 0.000 0.613 34 A CB -1.163 17.722 19.000 -0.192 0.000 0.829 34 A HN 0.445 nan 8.150 nan 0.000 0.442 35 A N 0.096 122.771 122.820 -0.242 0.000 1.849 35 A HA -0.081 -0.256 4.320 -7.491 0.000 0.217 35 A C 2.016 179.500 177.584 -0.168 0.000 1.202 35 A CA 1.977 53.903 52.037 -0.186 0.000 0.629 35 A CB -1.076 17.866 19.000 -0.097 0.000 0.834 35 A HN 1.161 nan 8.150 nan 0.000 0.447 36 F N 0.221 120.083 119.950 -0.146 0.000 2.558 36 F HA 0.274 0.307 4.527 -7.491 0.000 0.298 36 F C 1.903 177.435 175.800 -0.445 0.000 1.119 36 F CA 0.489 58.297 58.000 -0.321 0.000 1.451 36 F CB -1.084 37.751 39.000 -0.276 0.000 1.091 36 F HN 0.098 nan 8.300 nan 0.000 0.563 37 G N 1.557 109.991 108.800 -0.609 0.000 2.408 37 G HA2 -0.144 -0.679 3.960 -7.491 0.000 0.217 37 G HA3 -0.144 -0.679 3.960 -7.491 0.000 0.217 37 G C 1.703 176.477 174.900 -0.210 0.000 1.150 37 G CA 0.998 45.877 45.100 -0.370 0.000 0.776 37 G HN 0.468 nan 8.290 nan 0.000 0.542 38 L N 0.408 121.502 121.223 -0.215 0.000 2.109 38 L HA -0.011 -0.166 4.340 -7.491 0.000 0.207 38 L C 3.163 180.057 176.870 0.039 0.000 1.086 38 L CA 0.952 55.717 54.840 -0.125 0.000 0.760 38 L CB -0.173 41.761 42.059 -0.208 0.000 0.910 38 L HN 0.166 nan 8.230 nan 0.000 0.437 39 S N -0.662 115.008 115.700 -0.049 0.000 2.355 39 S HA -0.227 -0.252 4.470 -7.491 0.000 0.222 39 S C 1.856 176.452 174.600 -0.007 0.000 1.031 39 S CA 1.310 59.513 58.200 0.005 0.000 0.993 39 S CB -0.133 63.070 63.200 0.005 0.000 0.859 39 S HN 0.421 nan 8.310 nan 0.000 0.453 40 E N 1.267 121.328 120.200 -0.231 0.000 2.097 40 E HA -0.190 -0.335 4.350 -7.491 0.000 0.196 40 E C 1.719 178.364 176.600 0.075 0.000 1.000 40 E CA 1.198 57.559 56.400 -0.065 0.000 0.804 40 E CB -0.235 29.392 29.700 -0.122 0.000 0.740 40 E HN 0.481 nan 8.360 nan 0.000 0.454 41 A N -0.281 122.588 122.820 0.082 0.000 2.239 41 A HA 0.181 0.007 4.320 -7.491 0.000 0.209 41 A C 1.693 179.336 177.584 0.100 0.000 1.171 41 A CA 1.076 53.199 52.037 0.143 0.000 0.768 41 A CB -0.472 18.671 19.000 0.238 0.000 0.790 41 A HN 0.555 nan 8.150 nan 0.000 0.478 42 G N -2.384 106.458 108.800 0.069 0.000 2.159 42 G HA2 -0.225 -0.760 3.960 -7.491 0.000 0.227 42 G HA3 -0.225 -0.760 3.960 -7.491 0.000 0.227 42 G C -0.071 174.744 174.900 -0.141 0.000 0.986 42 G CA -0.048 45.023 45.100 -0.049 0.000 0.651 42 G HN 0.321 nan 8.290 nan 0.000 0.523 43 F N 1.735 121.686 119.950 0.003 0.000 2.420 43 F HA 0.329 0.362 4.527 -7.490 0.000 0.352 43 F C 1.019 176.840 175.800 0.036 0.000 1.108 43 F CA -0.651 57.352 58.000 0.006 0.000 1.162 43 F CB 0.884 39.867 39.000 -0.027 0.000 1.118 43 F HN 0.131 nan 8.300 nan 0.000 0.510 44 N N 3.027 121.854 118.700 0.212 0.000 2.416 44 N HA 0.029 0.274 4.740 -7.491 0.000 0.271 44 N C -1.038 174.675 175.510 0.338 0.000 1.245 44 N CA 0.080 53.273 53.050 0.237 0.000 0.940 44 N CB 0.305 38.900 38.487 0.180 0.000 1.175 44 N HN 0.560 nan 8.380 nan 0.000 0.483 45 T N 2.175 116.864 114.554 0.225 0.000 2.812 45 T HA 0.492 0.348 4.350 -7.491 0.000 0.282 45 T C -0.203 174.344 174.700 -0.255 0.000 0.990 45 T CA -0.606 61.505 62.100 0.019 0.000 0.960 45 T CB 1.644 70.479 68.868 -0.055 0.000 0.948 45 T HN 0.564 nan 8.240 nan 0.000 0.438 46 A N 1.363 123.801 122.820 -0.637 0.000 2.279 46 A HA 0.704 0.529 4.320 -7.491 0.000 0.303 46 A C -0.003 177.270 177.584 -0.518 0.000 1.108 46 A CA -0.652 50.882 52.037 -0.839 0.000 0.830 46 A CB 0.522 18.722 19.000 -1.333 0.000 1.106 46 A HN 0.965 nan 8.150 nan 0.000 0.493 47 C N 2.061 121.087 119.300 -0.456 0.000 2.432 47 C HA 0.624 0.589 4.460 -7.491 0.000 0.334 47 C C -0.889 174.011 174.990 -0.151 0.000 1.155 47 C CA -0.349 58.460 59.018 -0.347 0.000 1.335 47 C CB -0.107 27.329 27.740 -0.506 0.000 1.964 47 C HN 0.701 nan 8.230 nan 0.000 0.444 48 V N 5.577 125.397 119.914 -0.156 0.000 2.394 48 V HA 0.731 0.356 4.120 -7.491 0.000 0.282 48 V C 0.417 176.492 176.094 -0.033 0.000 1.031 48 V CA 0.066 62.303 62.300 -0.106 0.000 0.881 48 V CB 1.657 33.355 31.823 -0.209 0.000 0.982 48 V HN 0.939 nan 8.190 nan 0.000 0.451 49 T N 3.527 118.109 114.554 0.047 0.000 2.952 49 T HA 0.361 0.216 4.350 -7.491 0.000 0.305 49 T C 0.469 175.222 174.700 0.088 0.000 1.064 49 T CA -0.682 61.444 62.100 0.043 0.000 1.008 49 T CB 1.501 70.396 68.868 0.044 0.000 1.078 49 T HN 0.851 nan 8.240 nan 0.000 0.459 50 K N 3.916 124.345 120.400 0.048 0.000 2.444 50 K HA 0.390 0.215 4.320 -7.491 0.000 0.193 50 K C -0.007 176.665 176.600 0.120 0.000 1.024 50 K CA 0.125 56.466 56.287 0.090 0.000 1.077 50 K CB -0.036 32.505 32.500 0.069 0.000 0.833 50 K HN 0.422 nan 8.250 nan 0.000 0.517 51 L N 0.648 121.941 121.223 0.116 0.000 2.466 51 L HA 0.379 0.224 4.340 -7.491 0.000 0.258 51 L C -0.752 176.198 176.870 0.133 0.000 0.973 51 L CA -1.469 53.462 54.840 0.153 0.000 0.826 51 L CB 1.431 43.565 42.059 0.126 0.000 1.372 51 L HN -0.086 nan 8.230 nan 0.000 0.409 52 F N 4.268 124.251 119.950 0.055 0.000 2.612 52 F HA 0.063 0.096 4.527 -7.491 0.000 0.389 52 F C -1.405 174.323 175.800 -0.120 0.000 1.055 52 F CA -0.922 57.060 58.000 -0.030 0.000 1.232 52 F CB 0.589 39.562 39.000 -0.046 0.000 1.044 52 F HN 0.348 nan 8.300 nan 0.000 0.560 53 P HA -0.259 nan 4.420 nan 0.000 0.219 53 P C 1.551 178.518 177.300 -0.554 0.000 1.158 53 P CA 2.569 65.264 63.100 -0.675 0.000 0.895 53 P CB -0.106 31.092 31.700 -0.837 0.000 0.792 54 T N -0.954 113.140 114.554 -0.767 0.000 3.025 54 T HA -0.080 -0.225 4.350 -7.491 0.000 0.270 54 T C 1.428 176.061 174.700 -0.112 0.000 1.126 54 T CA 0.774 62.610 62.100 -0.440 0.000 1.105 54 T CB -0.374 68.265 68.868 -0.382 0.000 0.884 54 T HN 0.053 nan 8.240 nan 0.000 0.522 55 R N 1.183 121.685 120.500 0.003 0.000 2.246 55 R HA 0.252 0.097 4.340 -7.491 0.000 0.199 55 R C 1.111 177.455 176.300 0.073 0.000 0.984 55 R CA -0.013 56.141 56.100 0.091 0.000 1.015 55 R CB -0.482 29.911 30.300 0.155 0.000 0.930 55 R HN 0.252 nan 8.270 nan 0.000 0.475 56 S N 1.172 116.885 115.700 0.021 0.000 2.566 56 S HA -0.063 -0.088 4.470 -7.491 0.000 0.280 56 S C 1.133 175.791 174.600 0.097 0.000 1.343 56 S CA -0.215 58.018 58.200 0.055 0.000 1.036 56 S CB 0.600 63.808 63.200 0.013 0.000 0.866 56 S HN 0.363 nan 8.310 nan 0.000 0.526 57 H N 2.167 121.250 119.070 0.022 0.000 2.426 57 H HA -0.141 -0.080 4.556 -7.491 0.000 0.298 57 H C 2.409 177.758 175.328 0.035 0.000 1.107 57 H CA 2.320 58.384 56.048 0.027 0.000 1.298 57 H CB -0.571 29.197 29.762 0.010 0.000 1.377 57 H HN 0.776 nan 8.280 nan 0.000 0.519 58 T N -1.229 113.329 114.554 0.006 0.000 2.849 58 T HA -0.163 -0.308 4.350 -7.491 0.000 0.270 58 T C 2.145 176.819 174.700 -0.043 0.000 1.066 58 T CA 1.917 63.996 62.100 -0.034 0.000 1.130 58 T CB -1.097 67.784 68.868 0.023 0.000 0.864 58 T HN 0.278 nan 8.240 nan 0.000 0.481 59 V N 0.890 120.793 119.914 -0.018 0.000 2.380 59 V HA -0.025 -0.400 4.120 -7.491 0.000 0.251 59 V C 3.035 179.157 176.094 0.046 0.000 1.063 59 V CA 1.586 63.924 62.300 0.062 0.000 1.055 59 V CB -2.032 29.867 31.823 0.128 0.000 0.657 59 V HN 0.603 nan 8.190 nan 0.000 0.455 60 A N 0.954 123.720 122.820 -0.090 0.000 2.070 60 A HA 0.365 0.191 4.320 -7.491 0.000 0.220 60 A C 1.637 179.159 177.584 -0.103 0.000 1.159 60 A CA 0.960 52.915 52.037 -0.137 0.000 0.656 60 A CB -0.931 17.873 19.000 -0.327 0.000 0.800 60 A HN 1.111 nan 8.150 nan 0.000 0.453 61 A N -1.054 121.711 122.820 -0.091 0.000 2.483 61 A HA 0.401 0.226 4.320 -7.491 0.000 0.238 61 A C 0.729 178.337 177.584 0.040 0.000 1.070 61 A CA 0.580 52.611 52.037 -0.011 0.000 0.770 61 A CB 0.263 19.265 19.000 0.004 0.000 1.008 61 A HN 0.596 nan 8.150 nan 0.000 0.497 62 Q N 1.427 121.270 119.800 0.072 0.000 2.462 62 Q HA 0.138 -0.017 4.340 -7.491 0.000 0.194 62 Q C 2.094 178.168 176.000 0.122 0.000 0.694 62 Q CA 0.419 56.274 55.803 0.086 0.000 0.873 62 Q CB 0.018 28.803 28.738 0.078 0.000 1.261 62 Q HN 0.860 nan 8.270 nan 0.000 0.531 63 G N 0.546 109.463 108.800 0.194 0.000 2.459 63 G HA2 0.172 -0.363 3.960 -7.491 0.000 0.217 63 G HA3 0.172 -0.363 3.960 -7.491 0.000 0.217 63 G C 0.629 175.521 174.900 -0.014 0.000 1.183 63 G CA 1.122 46.395 45.100 0.289 0.000 0.776 63 G HN 0.517 nan 8.290 nan 0.000 0.552 64 G N -1.422 107.295 108.800 -0.139 0.000 2.368 64 G HA2 0.336 -0.199 3.960 -7.491 0.000 0.269 64 G HA3 0.336 -0.199 3.960 -7.491 0.000 0.269 64 G C -1.779 173.036 174.900 -0.142 0.000 1.291 64 G CA -0.234 44.781 45.100 -0.142 0.000 0.903 64 G HN 0.771 nan 8.290 nan 0.000 0.483 65 I N 0.851 121.366 120.570 -0.092 0.000 2.512 65 I HA 0.412 0.087 4.170 -7.491 0.000 0.287 65 I C -1.035 175.021 176.117 -0.102 0.000 1.069 65 I CA -0.997 60.276 61.300 -0.045 0.000 1.056 65 I CB 1.616 39.660 38.000 0.073 0.000 1.229 65 I HN 0.426 nan 8.210 nan 0.000 0.429 66 N N 6.124 124.755 118.700 -0.114 0.000 2.518 66 N HA 0.646 0.891 4.740 -7.491 0.000 0.266 66 N C -0.715 174.700 175.510 -0.159 0.000 1.196 66 N CA -0.025 52.908 53.050 -0.196 0.000 0.947 66 N CB 1.706 40.069 38.487 -0.206 0.000 1.098 66 N HN 0.703 nan 8.380 nan 0.000 0.450 67 A N 0.353 123.025 122.820 -0.248 0.000 2.547 67 A HA 0.550 0.375 4.320 -7.491 0.000 0.300 67 A C -0.637 176.862 177.584 -0.142 0.000 1.061 67 A CA -0.722 51.230 52.037 -0.143 0.000 0.808 67 A CB 0.243 19.177 19.000 -0.111 0.000 1.304 67 A HN 0.582 nan 8.150 nan 0.000 0.393 68 A N 2.716 125.504 122.820 -0.054 0.000 3.051 68 A HA 0.475 0.300 4.320 -7.491 0.000 0.257 68 A C 0.918 178.480 177.584 -0.038 0.000 1.785 68 A CA -0.025 51.995 52.037 -0.027 0.000 1.420 68 A CB -1.111 17.927 19.000 0.063 0.000 1.063 68 A HN 0.954 nan 8.150 nan 0.000 0.630 69 L N 0.597 121.774 121.223 -0.078 0.000 2.291 69 L HA 0.044 -0.111 4.340 -7.491 0.000 0.214 69 L C 1.793 178.621 176.870 -0.070 0.000 1.120 69 L CA 0.695 55.485 54.840 -0.083 0.000 0.799 69 L CB -0.418 41.568 42.059 -0.123 0.000 0.925 69 L HN 0.739 nan 8.230 nan 0.000 0.446 70 G N 0.841 109.604 108.800 -0.062 0.000 2.338 70 G HA2 -0.290 -0.825 3.960 -7.491 0.000 0.296 70 G HA3 -0.290 -0.825 3.960 -7.491 0.000 0.296 70 G C 0.499 175.371 174.900 -0.047 0.000 1.040 70 G CA 0.497 45.570 45.100 -0.045 0.000 1.004 70 G HN 0.343 nan 8.290 nan 0.000 0.509 71 N N -0.498 118.166 118.700 -0.061 0.000 2.376 71 N HA 0.069 0.314 4.740 -7.491 0.000 0.177 71 N C 2.320 177.803 175.510 -0.046 0.000 1.024 71 N CA 1.280 54.296 53.050 -0.057 0.000 0.893 71 N CB -0.082 38.361 38.487 -0.074 0.000 0.980 71 N HN 0.500 nan 8.380 nan 0.000 0.439 72 M N 0.060 119.626 119.600 -0.057 0.000 2.556 72 M HA 0.141 0.126 4.480 -7.491 0.000 0.259 72 M C 0.843 177.100 176.300 -0.073 0.000 1.175 72 M CA 0.931 56.183 55.300 -0.079 0.000 1.202 72 M CB -0.616 31.899 32.600 -0.142 0.000 1.298 72 M HN 0.090 nan 8.290 nan 0.000 0.492 73 E N 1.470 121.646 120.200 -0.040 0.000 2.428 73 E HA 0.364 0.220 4.350 -7.491 0.000 0.259 73 E C -1.106 175.510 176.600 0.027 0.000 0.930 73 E CA -0.615 55.785 56.400 -0.000 0.000 0.823 73 E CB 1.213 30.930 29.700 0.029 0.000 1.403 73 E HN 0.314 nan 8.360 nan 0.000 0.415 74 E N 0.927 121.157 120.200 0.052 0.000 2.331 74 E HA 0.406 0.261 4.350 -7.491 0.000 0.272 74 E C -0.846 175.800 176.600 0.077 0.000 1.036 74 E CA -0.450 55.970 56.400 0.033 0.000 0.864 74 E CB 0.968 30.679 29.700 0.019 0.000 1.035 74 E HN 0.379 nan 8.360 nan 0.000 0.408 75 D N 1.131 121.481 120.400 -0.084 0.000 2.579 75 D HA 0.379 0.524 4.640 -7.491 0.000 0.257 75 D C -1.598 174.332 176.300 -0.617 0.000 1.176 75 D CA -0.752 53.139 54.000 -0.181 0.000 0.914 75 D CB 1.779 42.574 40.800 -0.008 0.000 1.431 75 D HN 0.437 nan 8.370 nan 0.000 0.454 76 N N 1.106 119.259 118.700 -0.911 0.000 2.336 76 N HA 0.116 0.361 4.740 -7.491 0.000 0.290 76 N C 0.935 176.137 175.510 -0.513 0.000 1.058 76 N CA -0.717 51.738 53.050 -0.992 0.000 0.865 76 N CB 1.037 38.388 38.487 -1.894 0.000 1.581 76 N HN 0.642 nan 8.380 nan 0.000 0.480 77 W N 3.963 125.128 121.300 -0.224 0.000 2.374 77 W HA -0.066 0.098 4.660 -7.493 0.000 0.288 77 W C 0.726 177.293 176.519 0.079 0.000 1.218 77 W CA 0.269 57.607 57.345 -0.010 0.000 1.245 77 W CB -0.420 29.045 29.460 0.008 0.000 1.126 77 W HN 0.458 nan 8.180 nan 0.000 0.545 78 R N -0.329 119.773 120.500 -0.663 0.000 2.152 78 R HA -0.149 -0.304 4.340 -7.491 0.000 0.232 78 R C 2.029 178.396 176.300 0.112 0.000 1.117 78 R CA 2.091 57.927 56.100 -0.439 0.000 0.981 78 R CB -0.685 29.191 30.300 -0.706 0.000 0.870 78 R HN 0.121 nan 8.270 nan 0.000 0.451 79 W N 0.139 121.281 121.300 -0.264 0.000 2.381 79 W HA -0.093 0.071 4.660 -7.492 0.000 0.301 79 W C 2.104 178.693 176.519 0.117 0.000 1.205 79 W CA 0.679 57.861 57.345 -0.271 0.000 1.285 79 W CB -1.301 27.955 29.460 -0.340 0.000 1.133 79 W HN 0.322 nan 8.180 nan 0.000 0.521 80 H N -1.267 117.987 119.070 0.306 0.000 2.353 80 H HA -0.237 -0.175 4.556 -7.491 0.000 0.300 80 H C 2.269 177.776 175.328 0.298 0.000 1.090 80 H CA 1.707 57.915 56.048 0.266 0.000 1.327 80 H CB -0.518 29.388 29.762 0.240 0.000 1.383 80 H HN 0.046 nan 8.280 nan 0.000 0.508 81 F N 0.863 120.945 119.950 0.221 0.000 2.043 81 F HA -0.356 -0.322 4.527 -7.489 0.000 0.297 81 F C 2.470 178.371 175.800 0.168 0.000 1.121 81 F CA 2.141 60.242 58.000 0.169 0.000 1.199 81 F CB -1.020 38.150 39.000 0.283 0.000 0.968 81 F HN 0.217 nan 8.300 nan 0.000 0.478 82 Y N 1.505 121.989 120.300 0.307 0.000 2.128 82 Y HA -0.291 -0.234 4.550 -7.488 0.000 0.284 82 Y C 2.308 178.206 175.900 -0.003 0.000 1.154 82 Y CA 2.200 60.409 58.100 0.181 0.000 1.149 82 Y CB -0.880 37.830 38.460 0.417 0.000 0.976 82 Y HN 0.144 nan 8.280 nan 0.000 0.505 83 D N -0.676 119.819 120.400 0.158 0.000 2.133 83 D HA -0.178 -0.033 4.640 -7.491 0.000 0.195 83 D C 2.095 178.327 176.300 -0.112 0.000 0.997 83 D CA 2.109 56.149 54.000 0.066 0.000 0.840 83 D CB -0.459 40.475 40.800 0.223 0.000 0.947 83 D HN 0.441 nan 8.370 nan 0.000 0.452 84 T N 0.352 114.806 114.554 -0.167 0.000 2.809 84 T HA -0.091 -0.236 4.350 -7.491 0.000 0.260 84 T C 2.140 176.611 174.700 -0.382 0.000 1.039 84 T CA 0.958 62.926 62.100 -0.220 0.000 1.141 84 T CB -0.533 68.201 68.868 -0.225 0.000 0.869 84 T HN 0.038 nan 8.240 nan 0.000 0.437 85 V N 1.790 121.350 119.914 -0.589 0.000 2.287 85 V HA -0.214 -0.589 4.120 -7.491 0.000 0.248 85 V C 2.453 177.935 176.094 -1.020 0.000 1.053 85 V CA 2.110 63.966 62.300 -0.740 0.000 1.027 85 V CB -0.540 30.811 31.823 -0.787 0.000 0.646 85 V HN 0.386 nan 8.190 nan 0.000 0.447 86 K N -0.174 119.605 120.400 -1.035 0.000 2.020 86 K HA -0.170 -0.345 4.320 -7.491 0.000 0.212 86 K C 2.169 178.410 176.600 -0.598 0.000 1.050 86 K CA 1.942 57.568 56.287 -1.101 0.000 0.929 86 K CB -1.072 30.967 32.500 -0.769 0.000 0.714 86 K HN 0.624 nan 8.250 nan 0.000 0.443 87 G N 0.673 109.296 108.800 -0.296 0.000 2.505 87 G HA2 -0.336 -0.871 3.960 -7.491 0.000 0.220 87 G HA3 -0.336 -0.871 3.960 -7.491 0.000 0.220 87 G C 1.466 176.283 174.900 -0.137 0.000 1.145 87 G CA 1.603 46.645 45.100 -0.097 0.000 0.761 87 G HN 0.542 nan 8.290 nan 0.000 0.571 88 S N -0.374 115.169 115.700 -0.262 0.000 2.561 88 S HA 0.029 0.004 4.470 -7.491 0.000 0.225 88 S C 1.078 175.567 174.600 -0.186 0.000 0.977 88 S CA 1.111 59.194 58.200 -0.196 0.000 0.926 88 S CB -0.034 63.031 63.200 -0.226 0.000 0.769 88 S HN 0.348 nan 8.310 nan 0.000 0.533 89 D N 0.439 120.678 120.400 -0.268 0.000 2.772 89 D HA -0.194 -0.049 4.640 -7.491 0.000 0.233 89 D C -0.446 175.957 176.300 0.172 0.000 1.143 89 D CA 1.046 55.043 54.000 -0.005 0.000 0.700 89 D CB -2.023 38.861 40.800 0.139 0.000 1.076 89 D HN 0.691 nan 8.370 nan 0.000 0.430 90 W N -2.406 118.845 121.300 -0.081 0.000 4.141 90 W HA -0.314 -0.155 4.660 -7.502 0.000 0.336 90 W C 1.177 177.640 176.519 -0.094 0.000 1.258 90 W CA 0.636 57.923 57.345 -0.098 0.000 0.747 90 W CB -2.047 27.334 29.460 -0.131 0.000 2.338 90 W HN 0.328 nan 8.180 nan 0.000 1.410 91 L N 0.127 121.336 121.223 -0.024 0.000 2.693 91 L HA 0.440 0.285 4.340 -7.491 0.000 0.235 91 L C 1.423 178.240 176.870 -0.088 0.000 1.127 91 L CA 1.133 55.889 54.840 -0.141 0.000 0.914 91 L CB 0.109 42.011 42.059 -0.260 0.000 1.193 91 L HN -0.023 nan 8.230 nan 0.000 0.502 92 G N 0.047 108.801 108.800 -0.077 0.000 2.338 92 G HA2 0.157 -0.378 3.960 -7.491 0.000 0.295 92 G HA3 0.157 -0.378 3.960 -7.491 0.000 0.295 92 G C -0.747 174.166 174.900 0.023 0.000 1.132 92 G CA -0.494 44.577 45.100 -0.049 0.000 0.922 92 G HN 0.111 nan 8.290 nan 0.000 0.427 93 D N 2.862 123.321 120.400 0.099 0.000 2.356 93 D HA -0.019 0.126 4.640 -7.491 0.000 0.272 93 D C 1.467 177.829 176.300 0.103 0.000 1.337 93 D CA 0.372 54.447 54.000 0.126 0.000 0.970 93 D CB 1.223 42.085 40.800 0.103 0.000 1.092 93 D HN 0.523 nan 8.370 nan 0.000 0.516 94 Q N 1.494 121.375 119.800 0.135 0.000 2.291 94 Q HA -0.148 -0.303 4.340 -7.491 0.000 0.205 94 Q C 1.281 177.465 176.000 0.307 0.000 0.970 94 Q CA 0.887 56.814 55.803 0.207 0.000 0.876 94 Q CB 0.177 29.081 28.738 0.277 0.000 0.935 94 Q HN 0.532 nan 8.270 nan 0.000 0.455 95 D N 0.478 120.989 120.400 0.185 0.000 2.178 95 D HA -0.115 0.030 4.640 -7.491 0.000 0.202 95 D C 1.588 177.938 176.300 0.083 0.000 0.974 95 D CA 1.310 55.357 54.000 0.079 0.000 0.841 95 D CB -0.190 40.563 40.800 -0.077 0.000 0.953 95 D HN 0.163 nan 8.370 nan 0.000 0.478 96 A N 0.240 123.164 122.820 0.174 0.000 2.072 96 A HA 0.176 0.001 4.320 -7.491 0.000 0.216 96 A C 2.381 180.184 177.584 0.365 0.000 1.156 96 A CA 0.318 52.539 52.037 0.306 0.000 0.701 96 A CB -0.480 18.631 19.000 0.185 0.000 0.816 96 A HN 0.258 nan 8.150 nan 0.000 0.458 97 I N -1.677 119.058 120.570 0.276 0.000 2.584 97 I HA -0.122 -0.447 4.170 -7.491 0.000 0.255 97 I C 2.335 178.732 176.117 0.466 0.000 1.145 97 I CA 1.061 62.504 61.300 0.237 0.000 1.462 97 I CB -0.460 37.546 38.000 0.010 0.000 1.102 97 I HN 0.569 nan 8.210 nan 0.000 0.433 98 H N 0.592 119.949 119.070 0.478 0.000 2.270 98 H HA -0.295 -0.235 4.556 -7.492 0.000 0.299 98 H C 2.451 177.837 175.328 0.097 0.000 1.077 98 H CA 2.056 58.322 56.048 0.364 0.000 1.294 98 H CB -0.175 29.708 29.762 0.202 0.000 1.371 98 H HN 0.277 nan 8.280 nan 0.000 0.491 99 Y N 0.901 121.174 120.300 -0.045 0.000 2.102 99 Y HA -0.362 -0.307 4.550 -7.492 0.000 0.280 99 Y C 2.941 178.740 175.900 -0.169 0.000 1.178 99 Y CA 2.281 60.274 58.100 -0.177 0.000 1.146 99 Y CB -0.330 38.143 38.460 0.020 0.000 0.968 99 Y HN 0.284 nan 8.280 nan 0.000 0.504 100 M N -0.466 119.156 119.600 0.037 0.000 2.077 100 M HA -0.201 -0.216 4.480 -7.491 0.000 0.261 100 M C 2.218 178.424 176.300 -0.156 0.000 1.070 100 M CA 2.558 57.779 55.300 -0.131 0.000 1.125 100 M CB -0.402 32.214 32.600 0.026 0.000 1.339 100 M HN 0.501 nan 8.290 nan 0.000 0.409 101 T N -2.204 112.328 114.554 -0.036 0.000 2.821 101 T HA -0.181 -0.326 4.350 -7.491 0.000 0.267 101 T C 1.584 176.202 174.700 -0.137 0.000 1.046 101 T CA 1.571 63.697 62.100 0.044 0.000 1.139 101 T CB -0.588 68.422 68.868 0.237 0.000 0.871 101 T HN 0.613 nan 8.240 nan 0.000 0.454 102 E N 0.789 120.622 120.200 -0.611 0.000 2.072 102 E HA -0.238 -0.383 4.350 -7.491 0.000 0.191 102 E C 2.426 178.560 176.600 -0.776 0.000 0.985 102 E CA 1.060 56.633 56.400 -1.378 0.000 0.801 102 E CB -0.172 28.560 29.700 -1.613 0.000 0.750 102 E HN 0.479 nan 8.360 nan 0.000 0.452 103 Q N 0.550 119.980 119.800 -0.615 0.000 2.224 103 Q HA -0.041 -0.196 4.340 -7.491 0.000 0.203 103 Q C 1.791 177.605 176.000 -0.311 0.000 0.970 103 Q CA 1.501 57.004 55.803 -0.500 0.000 0.865 103 Q CB -0.429 27.918 28.738 -0.651 0.000 0.922 103 Q HN 0.370 nan 8.270 nan 0.000 0.445 104 A N 1.108 123.794 122.820 -0.223 0.000 1.915 104 A HA -0.214 -0.389 4.320 -7.491 0.000 0.220 104 A C -0.365 177.162 177.584 -0.094 0.000 1.198 104 A CA 1.921 53.904 52.037 -0.090 0.000 0.647 104 A CB -1.856 17.187 19.000 0.072 0.000 0.825 104 A HN 0.453 nan 8.150 nan 0.000 0.456 105 P HA -0.116 nan 4.420 nan 0.000 0.215 105 P C 1.808 179.035 177.300 -0.121 0.000 1.157 105 P CA 2.014 65.054 63.100 -0.100 0.000 0.868 105 P CB -0.209 31.445 31.700 -0.077 0.000 0.788 106 A N -0.831 121.904 122.820 -0.141 0.000 1.978 106 A HA -0.198 -0.373 4.320 -7.491 0.000 0.220 106 A C 2.397 179.902 177.584 -0.132 0.000 1.170 106 A CA 2.193 54.148 52.037 -0.137 0.000 0.636 106 A CB -1.607 17.300 19.000 -0.154 0.000 0.810 106 A HN 0.124 nan 8.150 nan 0.000 0.448 107 S N -1.047 114.573 115.700 -0.134 0.000 2.406 107 S HA -0.056 -0.081 4.470 -7.491 0.000 0.228 107 S C 1.794 176.349 174.600 -0.074 0.000 1.020 107 S CA 1.235 59.371 58.200 -0.106 0.000 0.965 107 S CB -0.152 62.986 63.200 -0.104 0.000 0.798 107 S HN 0.345 nan 8.310 nan 0.000 0.488 108 V N 0.820 120.687 119.914 -0.077 0.000 2.535 108 V HA -0.012 -0.387 4.120 -7.491 0.000 0.246 108 V C 2.148 178.186 176.094 -0.095 0.000 1.045 108 V CA 0.939 63.201 62.300 -0.062 0.000 1.058 108 V CB -0.276 31.467 31.823 -0.132 0.000 0.689 108 V HN 0.300 nan 8.190 nan 0.000 0.461 109 V N 0.152 119.992 119.914 -0.123 0.000 2.490 109 V HA -0.259 -0.634 4.120 -7.491 0.000 0.250 109 V C 2.435 178.447 176.094 -0.137 0.000 1.061 109 V CA 2.190 64.421 62.300 -0.115 0.000 1.064 109 V CB -0.459 31.301 31.823 -0.105 0.000 0.670 109 V HN 0.664 nan 8.190 nan 0.000 0.461 110 E N -0.013 120.075 120.200 -0.187 0.000 2.110 110 E HA -0.211 -0.356 4.350 -7.491 0.000 0.193 110 E C 2.205 178.442 176.600 -0.606 0.000 0.988 110 E CA 1.290 57.465 56.400 -0.373 0.000 0.804 110 E CB -0.042 29.468 29.700 -0.317 0.000 0.745 110 E HN 0.576 nan 8.360 nan 0.000 0.458 111 L N 0.809 121.887 121.223 -0.241 0.000 2.023 111 L HA -0.132 -0.287 4.340 -7.491 0.000 0.205 111 L C 2.853 179.785 176.870 0.105 0.000 1.073 111 L CA 1.033 55.855 54.840 -0.031 0.000 0.745 111 L CB -0.470 41.705 42.059 0.195 0.000 0.900 111 L HN 0.163 nan 8.230 nan 0.000 0.435 112 E N 0.823 121.145 120.200 0.205 0.000 2.118 112 E HA -0.235 -0.380 4.350 -7.491 0.000 0.195 112 E C 1.699 178.371 176.600 0.119 0.000 0.992 112 E CA 1.447 58.002 56.400 0.258 0.000 0.804 112 E CB -0.101 29.720 29.700 0.201 0.000 0.741 112 E HN 0.412 nan 8.360 nan 0.000 0.458 113 N N -0.445 118.265 118.700 0.017 0.000 2.453 113 N HA -0.089 0.156 4.740 -7.491 0.000 0.183 113 N C 1.438 177.021 175.510 0.122 0.000 1.041 113 N CA 0.624 53.689 53.050 0.025 0.000 0.900 113 N CB -0.331 38.139 38.487 -0.028 0.000 0.961 113 N HN 0.401 nan 8.380 nan 0.000 0.443 114 Y N -1.216 119.125 120.300 0.069 0.000 2.337 114 Y HA 0.092 0.147 4.550 -7.492 0.000 0.293 114 Y C 1.689 177.603 175.900 0.024 0.000 1.123 114 Y CA 0.296 58.418 58.100 0.037 0.000 1.201 114 Y CB 0.417 38.904 38.460 0.045 0.000 1.011 114 Y HN 0.180 nan 8.280 nan 0.000 0.545 115 G N -0.092 108.828 108.800 0.199 0.000 2.321 115 G HA2 -0.197 -0.732 3.960 -7.491 0.000 0.174 115 G HA3 -0.197 -0.732 3.960 -7.491 0.000 0.174 115 G C 0.005 174.954 174.900 0.082 0.000 1.008 115 G CA -0.502 44.668 45.100 0.117 0.000 0.739 115 G HN 0.126 nan 8.290 nan 0.000 0.502 116 M N 2.710 122.360 119.600 0.083 0.000 2.290 116 M HA 0.291 0.276 4.480 -7.491 0.000 0.356 116 M C -1.624 174.629 176.300 -0.080 0.000 1.448 116 M CA -0.644 54.612 55.300 -0.073 0.000 0.993 116 M CB 0.635 33.108 32.600 -0.212 0.000 1.934 116 M HN -0.006 nan 8.290 nan 0.000 0.461 117 P HA 0.129 nan 4.420 nan 0.000 0.214 117 P C -1.007 176.281 177.300 -0.020 0.000 1.826 117 P CA -0.116 62.971 63.100 -0.021 0.000 0.977 117 P CB -0.738 30.955 31.700 -0.012 0.000 1.930 118 F N 0.578 120.563 119.950 0.059 0.000 2.629 118 F HA -0.035 -0.004 4.527 -7.492 0.000 0.369 118 F C 1.635 177.480 175.800 0.075 0.000 1.125 118 F CA 0.901 58.942 58.000 0.069 0.000 1.330 118 F CB 0.017 39.053 39.000 0.060 0.000 1.071 118 F HN 0.076 nan 8.300 nan 0.000 0.595 119 S N 3.827 119.709 115.700 0.304 0.000 2.573 119 S HA 0.274 0.249 4.470 -7.491 0.000 0.277 119 S C 0.296 175.037 174.600 0.234 0.000 1.346 119 S CA -0.615 57.708 58.200 0.205 0.000 1.034 119 S CB 0.458 63.766 63.200 0.181 0.000 0.879 119 S HN 0.364 nan 8.310 nan 0.000 0.528 120 R N 0.595 121.173 120.500 0.131 0.000 2.892 120 R HA 0.594 0.439 4.340 -7.491 0.000 0.265 120 R C 0.150 176.514 176.300 0.107 0.000 1.025 120 R CA -0.679 55.497 56.100 0.127 0.000 0.982 120 R CB 1.385 31.733 30.300 0.082 0.000 1.185 120 R HN 0.801 nan 8.270 nan 0.000 0.484 121 T N -2.408 112.212 114.554 0.110 0.000 2.937 121 T HA 0.244 0.099 4.350 -7.491 0.000 0.283 121 T C 0.909 175.637 174.700 0.048 0.000 1.012 121 T CA -0.748 61.409 62.100 0.095 0.000 0.997 121 T CB 1.296 70.229 68.868 0.108 0.000 1.136 121 T HN 0.321 nan 8.240 nan 0.000 0.551 122 E N 0.316 120.538 120.200 0.036 0.000 2.331 122 E HA -0.116 -0.261 4.350 -7.491 0.000 0.199 122 E C 1.159 177.771 176.600 0.019 0.000 1.008 122 E CA 0.933 57.345 56.400 0.021 0.000 0.843 122 E CB -0.200 29.510 29.700 0.016 0.000 0.761 122 E HN 0.591 nan 8.360 nan 0.000 0.507 123 D N -0.979 119.434 120.400 0.022 0.000 2.289 123 D HA 0.016 0.161 4.640 -7.491 0.000 0.207 123 D C 1.361 177.671 176.300 0.016 0.000 0.966 123 D CA 1.077 55.086 54.000 0.015 0.000 0.868 123 D CB 0.479 41.285 40.800 0.010 0.000 0.943 123 D HN 0.320 nan 8.370 nan 0.000 0.514 124 G N 0.710 109.525 108.800 0.025 0.000 2.175 124 G HA2 -0.282 -0.817 3.960 -7.491 0.000 0.244 124 G HA3 -0.282 -0.817 3.960 -7.491 0.000 0.244 124 G C 0.466 175.383 174.900 0.028 0.000 0.982 124 G CA 0.137 45.254 45.100 0.028 0.000 0.641 124 G HN 0.315 nan 8.290 nan 0.000 0.527 125 K N 0.000 120.412 120.400 0.019 0.000 2.138 125 K HA 0.556 0.381 4.320 -7.491 0.000 0.251 125 K C 0.984 177.592 176.600 0.014 0.000 1.015 125 K CA -0.709 55.578 56.287 -0.001 0.000 0.917 125 K CB 0.883 33.372 32.500 -0.018 0.000 1.021 125 K HN 0.228 nan 8.250 nan 0.000 0.485 126 I N 2.512 123.055 120.570 -0.045 0.000 2.741 126 I HA -0.172 -0.496 4.170 -7.491 0.000 0.288 126 I C 0.168 176.289 176.117 0.006 0.000 1.192 126 I CA 0.225 61.484 61.300 -0.068 0.000 1.426 126 I CB -0.138 37.649 38.000 -0.355 0.000 1.367 126 I HN 0.458 nan 8.210 nan 0.000 0.563 127 Y N 8.065 128.363 120.300 -0.003 0.000 2.442 127 Y HA 0.176 0.231 4.550 -7.491 0.000 0.330 127 Y C -0.132 175.777 175.900 0.015 0.000 1.129 127 Y CA -0.083 58.027 58.100 0.018 0.000 1.365 127 Y CB 0.373 38.864 38.460 0.052 0.000 1.233 127 Y HN 0.506 nan 8.280 nan 0.000 0.529 128 Q N 4.966 124.341 119.800 -0.709 0.000 2.387 128 Q HA 0.597 0.442 4.340 -7.491 0.000 0.273 128 Q C -1.122 174.400 176.000 -0.797 0.000 1.089 128 Q CA -1.413 54.027 55.803 -0.606 0.000 0.824 128 Q CB 2.463 31.029 28.738 -0.287 0.000 1.367 128 Q HN 0.570 nan 8.270 nan 0.000 0.443 129 R N -0.072 120.186 120.500 -0.404 0.000 2.905 129 R HA 0.708 0.553 4.340 -7.491 0.000 0.260 129 R C -1.496 174.828 176.300 0.041 0.000 1.086 129 R CA -0.705 55.323 56.100 -0.120 0.000 0.978 129 R CB 1.429 31.739 30.300 0.017 0.000 1.215 129 R HN 0.785 nan 8.270 nan 0.000 0.480 130 A N 1.178 124.026 122.820 0.046 0.000 2.483 130 A HA 0.452 0.277 4.320 -7.491 0.000 0.238 130 A C -0.857 176.823 177.584 0.160 0.000 1.070 130 A CA 0.608 52.596 52.037 -0.083 0.000 0.770 130 A CB -0.207 18.675 19.000 -0.196 0.000 1.008 130 A HN 0.482 nan 8.150 nan 0.000 0.497 131 F N -0.608 119.269 119.950 -0.122 0.000 2.668 131 F HA 0.526 0.557 4.527 -7.493 0.000 0.309 131 F C 0.806 176.545 175.800 -0.100 0.000 1.117 131 F CA -0.227 57.722 58.000 -0.085 0.000 0.951 131 F CB 1.736 40.698 39.000 -0.064 0.000 1.323 131 F HN 0.785 nan 8.300 nan 0.000 0.451 132 G N 0.984 109.658 108.800 -0.209 0.000 2.346 132 G HA2 0.410 -0.125 3.960 -7.491 0.000 0.275 132 G HA3 0.410 -0.125 3.960 -7.491 0.000 0.275 132 G C 0.693 175.507 174.900 -0.144 0.000 1.190 132 G CA 0.564 45.535 45.100 -0.215 0.000 1.015 132 G HN 1.576 nan 8.290 nan 0.000 0.441 133 G N 1.644 110.337 108.800 -0.177 0.000 2.138 133 G HA2 -0.195 -0.730 3.960 -7.491 0.000 0.193 133 G HA3 -0.195 -0.730 3.960 -7.491 0.000 0.193 133 G C 0.105 175.032 174.900 0.045 0.000 0.998 133 G CA -0.036 44.952 45.100 -0.187 0.000 0.668 133 G HN 0.821 nan 8.290 nan 0.000 0.516 134 Q N 0.433 120.266 119.800 0.055 0.000 2.340 134 Q HA 0.654 0.499 4.340 -7.491 0.000 0.268 134 Q C -0.105 175.935 176.000 0.066 0.000 1.031 134 Q CA -0.042 55.815 55.803 0.090 0.000 0.804 134 Q CB 2.161 30.944 28.738 0.075 0.000 1.286 134 Q HN 0.647 nan 8.270 nan 0.000 0.448 135 S N 2.023 117.779 115.700 0.094 0.000 2.667 135 S HA 0.759 0.734 4.470 -7.491 0.000 0.292 135 S C -0.716 173.864 174.600 -0.034 0.000 1.126 135 S CA -0.835 57.386 58.200 0.035 0.000 0.881 135 S CB 1.184 64.425 63.200 0.068 0.000 1.132 135 S HN 0.480 nan 8.310 nan 0.000 0.492 136 L N 0.779 121.891 121.223 -0.184 0.000 2.332 136 L HA 0.594 0.439 4.340 -7.491 0.000 0.269 136 L C -0.035 176.242 176.870 -0.989 0.000 1.016 136 L CA -1.234 53.297 54.840 -0.515 0.000 0.809 136 L CB 0.835 42.683 42.059 -0.351 0.000 1.280 136 L HN 0.927 nan 8.230 nan 0.000 0.447 137 K N 2.098 121.150 120.400 -2.247 0.000 3.451 137 K HA -0.235 -0.410 4.320 -7.491 0.000 0.273 137 K C -0.826 175.313 176.600 -0.768 0.000 0.944 137 K CA 0.336 55.654 56.287 -1.615 0.000 0.734 137 K CB -1.509 30.543 32.500 -0.747 0.000 1.437 137 K HN 0.499 nan 8.250 nan 0.000 0.454 138 F N -1.014 118.434 119.950 -0.836 0.000 2.943 138 F HA -0.289 -0.258 4.527 -7.493 0.000 0.258 138 F C 1.416 176.771 175.800 -0.741 0.000 0.995 138 F CA 1.320 58.861 58.000 -0.764 0.000 0.896 138 F CB -2.101 36.455 39.000 -0.741 0.000 0.821 138 F HN 0.625 nan 8.300 nan 0.000 0.828 139 G N -1.034 107.635 108.800 -0.218 0.000 2.225 139 G HA2 -0.371 -0.906 3.960 -7.491 0.000 0.254 139 G HA3 -0.371 -0.906 3.960 -7.491 0.000 0.254 139 G C 1.245 176.113 174.900 -0.053 0.000 0.988 139 G CA 0.404 45.512 45.100 0.013 0.000 0.625 139 G HN 0.462 nan 8.290 nan 0.000 0.527 140 K N 0.452 120.768 120.400 -0.140 0.000 2.334 140 K HA 0.201 0.026 4.320 -7.491 0.000 0.195 140 K C 2.063 178.590 176.600 -0.122 0.000 1.045 140 K CA 0.805 57.026 56.287 -0.109 0.000 1.004 140 K CB 0.431 32.866 32.500 -0.108 0.000 0.837 140 K HN 0.439 nan 8.250 nan 0.000 0.510 141 G N 1.321 110.004 108.800 -0.196 0.000 3.448 141 G HA2 0.357 -0.178 3.960 -7.491 0.000 0.261 141 G HA3 0.357 -0.178 3.960 -7.491 0.000 0.261 141 G C 0.583 175.417 174.900 -0.111 0.000 1.173 141 G CA 0.249 45.236 45.100 -0.187 0.000 0.835 141 G HN 0.382 nan 8.290 nan 0.000 0.534 142 G N -0.025 108.735 108.800 -0.066 0.000 2.698 142 G HA2 -0.146 -0.681 3.960 -7.491 0.000 0.233 142 G HA3 -0.146 -0.681 3.960 -7.491 0.000 0.233 142 G C -0.075 174.814 174.900 -0.017 0.000 1.352 142 G CA -0.064 45.023 45.100 -0.021 0.000 0.879 142 G HN 0.776 nan 8.290 nan 0.000 0.567 143 Q N 0.254 120.051 119.800 -0.004 0.000 2.337 143 Q HA 0.599 0.445 4.340 -7.491 0.000 0.270 143 Q C 0.443 176.403 176.000 -0.067 0.000 1.002 143 Q CA 1.059 56.828 55.803 -0.057 0.000 0.888 143 Q CB 0.729 29.403 28.738 -0.106 0.000 1.222 143 Q HN 1.767 nan 8.270 nan 0.000 0.400 144 A N 4.006 126.762 122.820 -0.106 0.000 2.320 144 A HA 0.582 0.407 4.320 -7.491 0.000 0.334 144 A C -1.319 176.147 177.584 -0.197 0.000 1.147 144 A CA -0.639 51.387 52.037 -0.019 0.000 0.820 144 A CB 0.661 19.693 19.000 0.053 0.000 1.218 144 A HN 0.941 nan 8.150 nan 0.000 0.482 145 H N 0.558 119.631 119.070 0.004 0.000 2.348 145 H HA 0.359 0.420 4.556 -7.491 0.000 0.232 145 H C 0.552 175.823 175.328 -0.095 0.000 1.419 145 H CA -0.223 55.801 56.048 -0.040 0.000 1.416 145 H CB 0.339 30.069 29.762 -0.052 0.000 1.510 145 H HN 0.668 nan 8.280 nan 0.000 0.507 146 R N -0.581 119.896 120.500 -0.039 0.000 2.596 146 R HA 0.255 0.100 4.340 -7.491 0.000 0.369 146 R C -0.433 175.750 176.300 -0.195 0.000 1.042 146 R CA -0.285 55.741 56.100 -0.124 0.000 1.120 146 R CB -0.321 29.888 30.300 -0.152 0.000 1.353 146 R HN 0.305 nan 8.270 nan 0.000 0.564 147 C N 2.814 121.998 119.300 -0.193 0.000 2.383 147 C HA 0.441 0.406 4.460 -7.491 0.000 0.350 147 C C 0.617 175.477 174.990 -0.217 0.000 1.173 147 C CA -0.733 58.117 59.018 -0.279 0.000 1.645 147 C CB -1.372 26.111 27.740 -0.429 0.000 2.221 147 C HN 0.684 nan 8.230 nan 0.000 0.528 148 C N 5.992 125.191 119.300 -0.168 0.000 2.632 148 C HA 0.591 0.556 4.460 -7.491 0.000 0.415 148 C C 0.855 175.944 174.990 0.166 0.000 1.332 148 C CA -0.506 58.460 59.018 -0.087 0.000 1.874 148 C CB -1.994 25.605 27.740 -0.235 0.000 2.596 148 C HN 1.032 nan 8.230 nan 0.000 0.590 149 C N 1.272 120.775 119.300 0.339 0.000 3.241 149 C HA 0.820 0.785 4.460 -7.491 0.000 0.312 149 C C -0.857 174.360 174.990 0.379 0.000 1.350 149 C CA -0.668 58.557 59.018 0.345 0.000 1.415 149 C CB 0.555 28.421 27.740 0.210 0.000 1.770 149 C HN 0.589 nan 8.230 nan 0.000 0.466 150 V N 3.033 123.033 119.914 0.143 0.000 2.266 150 V HA 0.656 0.281 4.120 -7.491 0.000 0.271 150 V C 1.154 177.297 176.094 0.082 0.000 1.032 150 V CA 1.108 63.441 62.300 0.056 0.000 0.806 150 V CB -0.174 31.587 31.823 -0.102 0.000 1.052 150 V HN 2.147 nan 8.190 nan 0.000 0.449 151 A N 4.867 127.752 122.820 0.108 0.000 5.395 151 A HA -0.290 -0.465 4.320 -7.491 0.000 0.332 151 A C 1.047 178.698 177.584 0.110 0.000 1.754 151 A CA 1.871 53.959 52.037 0.086 0.000 0.716 151 A CB -1.220 17.802 19.000 0.037 0.000 1.411 151 A HN 1.120 nan 8.150 nan 0.000 0.398 152 D N -0.388 120.058 120.400 0.078 0.000 2.772 152 D HA 0.389 0.534 4.640 -7.491 0.000 0.272 152 D C 0.457 176.792 176.300 0.059 0.000 1.314 152 D CA -0.021 54.031 54.000 0.087 0.000 0.835 152 D CB -0.118 40.731 40.800 0.081 0.000 1.080 152 D HN 0.550 nan 8.370 nan 0.000 0.482 153 R N -0.129 120.403 120.500 0.053 0.000 2.698 153 R HA 0.097 -0.058 4.340 -7.491 0.000 0.422 153 R C 1.267 177.618 176.300 0.084 0.000 1.073 153 R CA 0.166 56.296 56.100 0.049 0.000 1.054 153 R CB 0.622 30.917 30.300 -0.009 0.000 1.373 153 R HN 0.184 nan 8.270 nan 0.000 0.593 154 T N -2.561 112.030 114.554 0.062 0.000 2.904 154 T HA -0.047 -0.191 4.350 -7.491 0.000 0.267 154 T C 1.883 176.601 174.700 0.030 0.000 1.059 154 T CA 1.632 63.745 62.100 0.022 0.000 1.137 154 T CB 0.167 69.054 68.868 0.031 0.000 0.879 154 T HN 0.344 nan 8.240 nan 0.000 0.467 155 G N 0.621 109.456 108.800 0.059 0.000 2.402 155 G HA2 -0.224 -0.759 3.960 -7.491 0.000 0.216 155 G HA3 -0.224 -0.759 3.960 -7.491 0.000 0.216 155 G C 1.560 176.512 174.900 0.086 0.000 1.162 155 G CA 0.929 46.061 45.100 0.053 0.000 0.777 155 G HN 0.718 nan 8.290 nan 0.000 0.539 156 H N 1.886 120.982 119.070 0.043 0.000 2.289 156 H HA -0.167 -0.106 4.556 -7.492 0.000 0.296 156 H C 2.637 178.077 175.328 0.187 0.000 1.091 156 H CA 2.320 58.442 56.048 0.124 0.000 1.274 156 H CB -0.306 29.509 29.762 0.090 0.000 1.364 156 H HN 0.441 nan 8.280 nan 0.000 0.490 157 S N 0.952 116.691 115.700 0.066 0.000 2.446 157 S HA -0.073 -0.098 4.470 -7.491 0.000 0.225 157 S C 2.271 176.849 174.600 -0.037 0.000 1.016 157 S CA 0.625 58.803 58.200 -0.036 0.000 0.943 157 S CB -0.472 62.739 63.200 0.018 0.000 0.786 157 S HN 0.323 nan 8.310 nan 0.000 0.508 158 L N 1.475 122.679 121.223 -0.032 0.000 2.013 158 L HA 0.044 -0.111 4.340 -7.491 0.000 0.212 158 L C 2.153 179.045 176.870 0.037 0.000 1.073 158 L CA 1.664 56.507 54.840 0.004 0.000 0.753 158 L CB -1.353 40.722 42.059 0.026 0.000 0.890 158 L HN 0.411 nan 8.230 nan 0.000 0.432 159 L N -0.955 120.268 121.223 -0.000 0.000 2.072 159 L HA -0.157 -0.312 4.340 -7.491 0.000 0.205 159 L C 2.618 179.446 176.870 -0.070 0.000 1.079 159 L CA 1.678 56.490 54.840 -0.047 0.000 0.752 159 L CB -0.878 41.107 42.059 -0.123 0.000 0.906 159 L HN 0.419 nan 8.230 nan 0.000 0.436 160 H N -1.550 117.468 119.070 -0.087 0.000 2.462 160 H HA -0.060 0.001 4.556 -7.491 0.000 0.292 160 H C 2.113 177.454 175.328 0.020 0.000 1.049 160 H CA 1.707 57.730 56.048 -0.041 0.000 1.334 160 H CB -0.042 29.605 29.762 -0.192 0.000 1.404 160 H HN 0.509 nan 8.280 nan 0.000 0.544 161 T N -0.456 114.162 114.554 0.107 0.000 2.770 161 T HA -0.056 -0.201 4.350 -7.491 0.000 0.258 161 T C 2.299 177.029 174.700 0.051 0.000 1.039 161 T CA 0.448 62.596 62.100 0.079 0.000 1.143 161 T CB -0.561 68.360 68.868 0.089 0.000 0.866 161 T HN 0.143 nan 8.240 nan 0.000 0.428 162 L N -0.437 120.855 121.223 0.115 0.000 2.013 162 L HA -0.099 -0.254 4.340 -7.491 0.000 0.212 162 L C 2.662 179.560 176.870 0.048 0.000 1.073 162 L CA 2.339 57.264 54.840 0.141 0.000 0.753 162 L CB -0.829 41.393 42.059 0.272 0.000 0.890 162 L HN 0.324 nan 8.230 nan 0.000 0.432 163 Y N 0.851 121.119 120.300 -0.053 0.000 2.165 163 Y HA -0.215 -0.160 4.550 -7.492 0.000 0.286 163 Y C 2.289 178.115 175.900 -0.124 0.000 1.155 163 Y CA 1.494 59.522 58.100 -0.120 0.000 1.164 163 Y CB -0.772 37.566 38.460 -0.203 0.000 0.978 163 Y HN 0.087 nan 8.280 nan 0.000 0.513 164 G N 0.528 109.230 108.800 -0.163 0.000 2.459 164 G HA2 -0.284 -0.819 3.960 -7.491 0.000 0.217 164 G HA3 -0.284 -0.819 3.960 -7.491 0.000 0.217 164 G C 1.901 176.591 174.900 -0.350 0.000 1.183 164 G CA 0.867 45.826 45.100 -0.235 0.000 0.776 164 G HN 0.257 nan 8.290 nan 0.000 0.552 165 R N 0.901 121.168 120.500 -0.388 0.000 2.094 165 R HA -0.150 -0.305 4.340 -7.491 0.000 0.239 165 R C 3.144 179.088 176.300 -0.593 0.000 1.137 165 R CA 1.908 57.644 56.100 -0.607 0.000 0.943 165 R CB -1.005 28.675 30.300 -1.033 0.000 0.850 165 R HN 0.521 nan 8.270 nan 0.000 0.433 166 S N 0.605 115.988 115.700 -0.528 0.000 2.428 166 S HA -0.164 -0.189 4.470 -7.491 0.000 0.240 166 S C 1.823 176.356 174.600 -0.113 0.000 1.036 166 S CA 1.234 59.321 58.200 -0.189 0.000 1.009 166 S CB -0.315 62.890 63.200 0.009 0.000 0.803 166 S HN 0.185 nan 8.310 nan 0.000 0.486 167 L N 1.338 122.367 121.223 -0.323 0.000 2.465 167 L HA 0.217 0.062 4.340 -7.491 0.000 0.224 167 L C 2.516 179.256 176.870 -0.218 0.000 1.145 167 L CA 1.072 55.751 54.840 -0.268 0.000 0.834 167 L CB -0.852 41.000 42.059 -0.344 0.000 0.944 167 L HN 0.361 nan 8.230 nan 0.000 0.451 168 R N -1.909 118.394 120.500 -0.328 0.000 2.307 168 R HA 0.032 -0.122 4.340 -7.491 0.000 0.199 168 R C -0.366 175.541 176.300 -0.655 0.000 1.000 168 R CA 0.337 56.114 56.100 -0.538 0.000 1.023 168 R CB -0.004 29.834 30.300 -0.771 0.000 0.908 168 R HN 0.209 nan 8.270 nan 0.000 0.473 169 Y N -0.357 119.909 120.300 -0.058 0.000 2.598 169 Y HA 0.112 0.168 4.550 -7.491 0.000 0.340 169 Y C 0.631 176.559 175.900 0.047 0.000 1.038 169 Y CA -1.667 56.441 58.100 0.012 0.000 1.100 169 Y CB 0.924 39.419 38.460 0.058 0.000 1.281 169 Y HN -0.026 nan 8.280 nan 0.000 0.488 170 D N -1.304 119.230 120.400 0.224 0.000 2.413 170 D HA 0.018 0.163 4.640 -7.491 0.000 0.237 170 D C -0.296 176.093 176.300 0.148 0.000 1.171 170 D CA -0.159 53.932 54.000 0.151 0.000 0.839 170 D CB -1.028 39.840 40.800 0.115 0.000 0.950 170 D HN 0.338 nan 8.370 nan 0.000 0.499 171 T N 0.693 115.340 114.554 0.155 0.000 2.831 171 T HA 0.054 -0.091 4.350 -7.491 0.000 0.291 171 T C 0.398 175.050 174.700 -0.080 0.000 0.981 171 T CA 0.035 62.127 62.100 -0.014 0.000 1.174 171 T CB 0.482 69.272 68.868 -0.130 0.000 0.929 171 T HN 0.019 nan 8.240 nan 0.000 0.532 172 S N 3.153 118.774 115.700 -0.132 0.000 2.430 172 S HA 0.235 0.210 4.470 -7.491 0.000 0.282 172 S C -0.355 173.990 174.600 -0.425 0.000 1.186 172 S CA -0.471 57.631 58.200 -0.162 0.000 1.060 172 S CB -0.186 63.034 63.200 0.034 0.000 0.966 172 S HN 0.477 nan 8.310 nan 0.000 0.501 173 Y N 1.960 122.108 120.300 -0.254 0.000 2.323 173 Y HA 0.411 0.466 4.550 -7.492 0.000 0.331 173 Y C -0.147 175.467 175.900 -0.477 0.000 1.092 173 Y CA -0.771 57.199 58.100 -0.215 0.000 1.150 173 Y CB 0.739 39.151 38.460 -0.081 0.000 1.200 173 Y HN 0.532 nan 8.280 nan 0.000 0.472 174 F N 2.510 122.327 119.950 -0.223 0.000 2.363 174 F HA 0.376 0.408 4.527 -7.491 0.000 0.366 174 F C -0.507 175.219 175.800 -0.124 0.000 1.083 174 F CA -0.965 56.708 58.000 -0.545 0.000 1.176 174 F CB 0.430 38.763 39.000 -1.112 0.000 1.432 174 F HN 0.083 nan 8.300 nan 0.000 0.482 175 V N 2.303 122.349 119.914 0.219 0.000 2.530 175 V HA 0.127 -0.248 4.120 -7.491 0.000 0.282 175 V C 0.454 176.794 176.094 0.411 0.000 1.048 175 V CA -0.778 61.702 62.300 0.299 0.000 0.997 175 V CB 0.758 32.749 31.823 0.280 0.000 0.987 175 V HN 0.772 nan 8.190 nan 0.000 0.477 176 E N 2.154 122.536 120.200 0.303 0.000 2.271 176 E HA -0.231 -0.376 4.350 -7.491 0.000 0.223 176 E C -1.247 175.449 176.600 0.160 0.000 1.223 176 E CA 0.415 56.929 56.400 0.190 0.000 0.704 176 E CB -1.068 28.733 29.700 0.169 0.000 1.194 176 E HN 0.624 nan 8.360 nan 0.000 0.375 177 Y N -0.125 120.204 120.300 0.047 0.000 2.393 177 Y HA 0.500 0.555 4.550 -7.492 0.000 0.341 177 Y C -0.144 175.791 175.900 0.059 0.000 0.988 177 Y CA -1.183 56.943 58.100 0.044 0.000 1.078 177 Y CB 1.135 39.615 38.460 0.033 0.000 1.203 177 Y HN 0.195 nan 8.280 nan 0.000 0.453 178 F N 3.219 123.186 119.950 0.029 0.000 2.375 178 F HA 0.731 0.763 4.527 -7.492 0.000 0.361 178 F C 0.086 175.887 175.800 0.001 0.000 1.117 178 F CA -0.995 56.999 58.000 -0.009 0.000 1.037 178 F CB 0.376 39.336 39.000 -0.067 0.000 1.192 178 F HN 0.615 nan 8.300 nan 0.000 0.452 179 A N 6.770 129.450 122.820 -0.233 0.000 2.488 179 A HA 0.328 0.153 4.320 -7.491 0.000 0.249 179 A C 0.294 177.822 177.584 -0.094 0.000 1.083 179 A CA -0.123 51.827 52.037 -0.145 0.000 0.768 179 A CB 0.286 19.166 19.000 -0.200 0.000 1.017 179 A HN 1.042 nan 8.150 nan 0.000 0.496 180 L N 1.223 122.481 121.223 0.059 0.000 2.269 180 L HA 0.286 0.131 4.340 -7.491 0.000 0.200 180 L C 0.378 177.269 176.870 0.035 0.000 1.069 180 L CA 0.519 55.429 54.840 0.116 0.000 0.804 180 L CB -0.039 42.087 42.059 0.111 0.000 0.987 180 L HN 0.609 nan 8.230 nan 0.000 0.468 181 D N -1.171 119.231 120.400 0.004 0.000 2.615 181 D HA 0.346 0.492 4.640 -7.491 0.000 0.267 181 D C -1.294 174.991 176.300 -0.025 0.000 1.236 181 D CA -0.582 53.411 54.000 -0.012 0.000 0.839 181 D CB 2.617 43.416 40.800 -0.003 0.000 1.380 181 D HN -0.278 nan 8.370 nan 0.000 0.433 182 L N 0.784 121.991 121.223 -0.028 0.000 2.436 182 L HA 0.310 0.156 4.340 -7.491 0.000 0.265 182 L C 0.578 177.437 176.870 -0.018 0.000 1.168 182 L CA -0.107 54.715 54.840 -0.029 0.000 0.815 182 L CB 0.066 42.106 42.059 -0.031 0.000 1.109 182 L HN 0.311 nan 8.230 nan 0.000 0.462 183 L N 3.744 124.958 121.223 -0.015 0.000 2.385 183 L HA 0.192 0.037 4.340 -7.491 0.000 0.285 183 L C 0.002 176.868 176.870 -0.007 0.000 1.125 183 L CA -0.084 54.752 54.840 -0.006 0.000 0.890 183 L CB 0.370 42.430 42.059 0.001 0.000 1.251 183 L HN 0.549 nan 8.230 nan 0.000 0.445 184 M N 3.486 123.081 119.600 -0.008 0.000 2.336 184 M HA 0.325 0.310 4.480 -7.491 0.000 0.342 184 M C -0.578 175.718 176.300 -0.007 0.000 1.128 184 M CA 0.047 55.341 55.300 -0.010 0.000 1.016 184 M CB 1.496 34.089 32.600 -0.012 0.000 1.665 184 M HN 0.291 nan 8.290 nan 0.000 0.445 185 E N 3.434 123.629 120.200 -0.007 0.000 2.343 185 E HA 0.268 0.123 4.350 -7.491 0.000 0.260 185 E C -1.009 175.586 176.600 -0.009 0.000 0.908 185 E CA -0.285 56.111 56.400 -0.006 0.000 0.814 185 E CB 0.583 30.282 29.700 -0.003 0.000 1.302 185 E HN 0.809 nan 8.360 nan 0.000 0.408 186 N N 3.153 121.847 118.700 -0.010 0.000 2.688 186 N HA -0.245 0.000 4.740 -7.491 0.000 0.258 186 N C 0.635 176.136 175.510 -0.015 0.000 1.016 186 N CA 1.347 54.389 53.050 -0.012 0.000 0.747 186 N CB -1.118 37.362 38.487 -0.011 0.000 0.895 186 N HN 1.017 nan 8.380 nan 0.000 0.543 187 G N -0.692 108.099 108.800 -0.015 0.000 2.189 187 G HA2 -0.341 -0.876 3.960 -7.491 0.000 0.267 187 G HA3 -0.341 -0.876 3.960 -7.491 0.000 0.267 187 G C -0.122 174.764 174.900 -0.023 0.000 0.975 187 G CA 0.975 46.064 45.100 -0.018 0.000 0.644 187 G HN 0.628 nan 8.290 nan 0.000 0.537 188 E N -0.518 119.670 120.200 -0.019 0.000 2.179 188 E HA 0.473 0.328 4.350 -7.491 0.000 0.275 188 E C -0.235 176.355 176.600 -0.016 0.000 0.945 188 E CA -0.687 55.701 56.400 -0.020 0.000 0.792 188 E CB 2.039 31.730 29.700 -0.014 0.000 1.125 188 E HN 0.221 nan 8.360 nan 0.000 0.397 189 C N 3.569 122.858 119.300 -0.018 0.000 2.347 189 C HA 0.299 0.264 4.460 -7.491 0.000 0.353 189 C C 1.168 176.156 174.990 -0.002 0.000 1.273 189 C CA -0.367 58.643 59.018 -0.014 0.000 1.861 189 C CB -0.526 27.202 27.740 -0.021 0.000 2.420 189 C HN 0.747 nan 8.230 nan 0.000 0.542 190 R N 3.419 123.919 120.500 0.000 0.000 2.307 190 R HA 0.360 0.206 4.340 -7.491 0.000 0.200 190 R C 0.931 177.239 176.300 0.013 0.000 0.893 190 R CA 0.808 56.914 56.100 0.010 0.000 1.042 190 R CB 0.282 30.589 30.300 0.011 0.000 1.059 190 R HN 1.025 nan 8.270 nan 0.000 0.530 191 G N 0.080 108.879 108.800 -0.002 0.000 2.441 191 G HA2 0.161 -0.374 3.960 -7.491 0.000 0.222 191 G HA3 0.161 -0.374 3.960 -7.491 0.000 0.222 191 G C -1.596 173.284 174.900 -0.034 0.000 1.254 191 G CA -0.163 44.928 45.100 -0.014 0.000 0.959 191 G HN 0.101 nan 8.290 nan 0.000 0.474 192 V N -1.779 118.106 119.914 -0.048 0.000 2.925 192 V HA 0.869 0.494 4.120 -7.491 0.000 0.311 192 V C -0.535 175.539 176.094 -0.032 0.000 1.104 192 V CA -1.004 61.262 62.300 -0.056 0.000 0.954 192 V CB 1.800 33.563 31.823 -0.100 0.000 1.022 192 V HN 1.237 nan 8.190 nan 0.000 0.427 193 I N 3.063 123.626 120.570 -0.011 0.000 2.377 193 I HA 0.889 0.564 4.170 -7.491 0.000 0.293 193 I C 0.115 176.258 176.117 0.043 0.000 0.987 193 I CA -0.419 60.895 61.300 0.024 0.000 1.185 193 I CB 1.325 39.339 38.000 0.023 0.000 1.341 193 I HN 1.175 nan 8.210 nan 0.000 0.455 194 A N 7.083 129.961 122.820 0.097 0.000 2.449 194 A HA 0.634 0.459 4.320 -7.491 0.000 0.302 194 A C -1.569 176.134 177.584 0.198 0.000 1.048 194 A CA -0.613 51.511 52.037 0.145 0.000 0.708 194 A CB 1.550 20.631 19.000 0.136 0.000 1.274 194 A HN 0.712 nan 8.150 nan 0.000 0.410 195 L N 2.637 123.960 121.223 0.167 0.000 2.281 195 L HA 0.527 0.372 4.340 -7.491 0.000 0.285 195 L C 0.051 176.889 176.870 -0.054 0.000 1.074 195 L CA -0.335 54.551 54.840 0.077 0.000 0.817 195 L CB 0.758 42.823 42.059 0.009 0.000 1.168 195 L HN 0.761 nan 8.230 nan 0.000 0.434 196 C N 6.779 125.962 119.300 -0.197 0.000 2.520 196 C HA 0.250 0.215 4.460 -7.491 0.000 0.369 196 C C 1.876 176.614 174.990 -0.420 0.000 1.244 196 C CA -0.513 58.062 59.018 -0.738 0.000 1.677 196 C CB -1.653 25.645 27.740 -0.736 0.000 2.324 196 C HN 0.998 nan 8.230 nan 0.000 0.557 197 I N 3.385 123.679 120.570 -0.460 0.000 2.264 197 I HA -0.182 -0.507 4.170 -7.491 0.000 0.248 197 I C 2.473 178.302 176.117 -0.480 0.000 1.111 197 I CA 1.829 62.804 61.300 -0.542 0.000 1.382 197 I CB -0.347 37.130 38.000 -0.872 0.000 1.060 197 I HN 0.826 nan 8.210 nan 0.000 0.418 198 E N 1.209 121.242 120.200 -0.277 0.000 2.051 198 E HA -0.273 -0.418 4.350 -7.491 0.000 0.192 198 E C 0.952 177.591 176.600 0.065 0.000 0.991 198 E CA 1.838 58.257 56.400 0.032 0.000 0.799 198 E CB 0.116 29.886 29.700 0.117 0.000 0.748 198 E HN 0.632 nan 8.360 nan 0.000 0.449 199 D N -2.425 117.981 120.400 0.010 0.000 2.563 199 D HA 0.155 0.300 4.640 -7.491 0.000 0.237 199 D C 1.024 177.343 176.300 0.032 0.000 1.282 199 D CA 0.458 54.487 54.000 0.048 0.000 0.816 199 D CB 0.456 41.304 40.800 0.079 0.000 1.066 199 D HN 0.333 nan 8.370 nan 0.000 0.501 200 G N 0.890 109.688 108.800 -0.004 0.000 2.220 200 G HA2 -0.341 -0.876 3.960 -7.491 0.000 0.269 200 G HA3 -0.341 -0.876 3.960 -7.491 0.000 0.269 200 G C 0.557 175.519 174.900 0.104 0.000 0.977 200 G CA 0.708 45.825 45.100 0.028 0.000 0.634 200 G HN 0.907 nan 8.290 nan 0.000 0.539 201 S N -0.182 115.582 115.700 0.106 0.000 2.568 201 S HA 0.594 0.569 4.470 -7.491 0.000 0.282 201 S C 0.299 175.007 174.600 0.180 0.000 1.338 201 S CA -0.300 57.985 58.200 0.142 0.000 1.045 201 S CB 1.578 64.865 63.200 0.144 0.000 0.873 201 S HN 0.552 nan 8.310 nan 0.000 0.516 202 I N 2.711 123.342 120.570 0.102 0.000 2.377 202 I HA 0.324 -0.001 4.170 -7.491 0.000 0.293 202 I C -0.006 176.111 176.117 0.001 0.000 0.987 202 I CA -0.506 60.860 61.300 0.109 0.000 1.185 202 I CB 1.085 39.117 38.000 0.054 0.000 1.341 202 I HN 0.659 nan 8.210 nan 0.000 0.455 203 H N 6.307 125.479 119.070 0.171 0.000 2.589 203 H HA 0.395 0.456 4.556 -7.492 0.000 0.335 203 H C -0.754 174.652 175.328 0.130 0.000 1.019 203 H CA -0.885 55.297 56.048 0.224 0.000 1.213 203 H CB 1.598 31.557 29.762 0.328 0.000 1.472 203 H HN 0.405 nan 8.280 nan 0.000 0.508 204 R N 3.231 123.858 120.500 0.211 0.000 2.220 204 R HA 0.272 0.117 4.340 -7.491 0.000 0.340 204 R C -0.322 176.082 176.300 0.173 0.000 1.076 204 R CA -0.512 55.668 56.100 0.134 0.000 0.920 204 R CB 0.210 30.562 30.300 0.086 0.000 1.062 204 R HN 0.358 nan 8.270 nan 0.000 0.469 205 I N 4.050 124.654 120.570 0.057 0.000 2.325 205 I HA 0.239 -0.086 4.170 -7.491 0.000 0.291 205 I C 0.514 176.669 176.117 0.062 0.000 1.019 205 I CA -0.203 61.119 61.300 0.036 0.000 1.302 205 I CB 0.778 38.605 38.000 -0.288 0.000 1.401 205 I HN 0.491 nan 8.210 nan 0.000 0.485 206 R N 5.729 126.316 120.500 0.145 0.000 2.637 206 R HA 0.992 0.837 4.340 -7.491 0.000 0.291 206 R C -1.286 175.095 176.300 0.134 0.000 0.963 206 R CA -0.817 55.344 56.100 0.102 0.000 0.901 206 R CB 2.094 32.440 30.300 0.078 0.000 1.160 206 R HN 0.630 nan 8.270 nan 0.000 0.457 207 A N 2.027 124.899 122.820 0.088 0.000 2.610 207 A HA 0.363 0.188 4.320 -7.491 0.000 0.291 207 A C 0.029 177.650 177.584 0.061 0.000 1.086 207 A CA -0.911 51.184 52.037 0.097 0.000 0.677 207 A CB 1.748 20.802 19.000 0.089 0.000 1.278 207 A HN 0.926 nan 8.150 nan 0.000 0.414 208 R N 0.026 120.567 120.500 0.068 0.000 2.075 208 R HA -0.013 -0.168 4.340 -7.491 0.000 0.232 208 R C -0.219 176.105 176.300 0.039 0.000 1.126 208 R CA 1.392 57.525 56.100 0.055 0.000 0.963 208 R CB 0.005 30.351 30.300 0.076 0.000 0.858 208 R HN 0.751 nan 8.270 nan 0.000 0.435 209 N N -0.349 118.360 118.700 0.014 0.000 2.238 209 N HA 0.199 0.445 4.740 -7.491 0.000 0.302 209 N C -1.506 173.990 175.510 -0.022 0.000 1.072 209 N CA -0.335 52.721 53.050 0.011 0.000 0.792 209 N CB 2.440 40.890 38.487 -0.062 0.000 1.425 209 N HN -0.094 nan 8.380 nan 0.000 0.478 210 T N 0.705 115.275 114.554 0.025 0.000 2.841 210 T HA 0.383 0.238 4.350 -7.491 0.000 0.285 210 T C -0.251 174.460 174.700 0.018 0.000 0.991 210 T CA -0.454 61.637 62.100 -0.015 0.000 0.966 210 T CB 1.610 70.467 68.868 -0.018 0.000 0.962 210 T HN 0.070 nan 8.240 nan 0.000 0.438 211 V N 3.860 123.741 119.914 -0.055 0.000 2.398 211 V HA 0.437 0.062 4.120 -7.491 0.000 0.286 211 V C -0.068 175.995 176.094 -0.051 0.000 1.026 211 V CA -0.788 61.490 62.300 -0.037 0.000 0.868 211 V CB 1.725 33.479 31.823 -0.113 0.000 0.982 211 V HN 0.692 nan 8.190 nan 0.000 0.443 212 V N 4.361 124.257 119.914 -0.030 0.000 2.350 212 V HA 0.680 0.305 4.120 -7.491 0.000 0.276 212 V C 0.558 176.628 176.094 -0.041 0.000 1.028 212 V CA -0.049 62.221 62.300 -0.050 0.000 0.860 212 V CB 1.281 33.072 31.823 -0.054 0.000 0.990 212 V HN 1.002 nan 8.190 nan 0.000 0.453 213 A N 3.008 125.800 122.820 -0.047 0.000 3.355 213 A HA 0.480 0.305 4.320 -7.491 0.000 0.290 213 A C 0.789 178.355 177.584 -0.029 0.000 0.973 213 A CA 0.200 52.221 52.037 -0.027 0.000 0.933 213 A CB 0.361 19.347 19.000 -0.023 0.000 1.138 213 A HN 0.819 nan 8.150 nan 0.000 0.490 214 T N -2.543 111.988 114.554 -0.037 0.000 3.105 214 T HA 0.479 0.334 4.350 -7.491 0.000 0.253 214 T C 1.163 175.847 174.700 -0.027 0.000 1.047 214 T CA 0.830 62.902 62.100 -0.047 0.000 0.944 214 T CB -0.231 68.591 68.868 -0.077 0.000 1.016 214 T HN 2.080 nan 8.240 nan 0.000 0.544 215 G N 0.521 109.313 108.800 -0.013 0.000 2.692 215 G HA2 0.149 -0.386 3.960 -7.491 0.000 0.248 215 G HA3 0.149 -0.386 3.960 -7.491 0.000 0.248 215 G C 0.248 175.125 174.900 -0.038 0.000 1.340 215 G CA -0.488 44.601 45.100 -0.018 0.000 0.896 215 G HN 0.967 nan 8.290 nan 0.000 0.570 216 G N -2.123 106.620 108.800 -0.095 0.000 2.531 216 G HA2 0.694 0.159 3.960 -7.491 0.000 0.281 216 G HA3 0.694 0.159 3.960 -7.491 0.000 0.281 216 G C 0.073 174.957 174.900 -0.026 0.000 1.382 216 G CA 0.355 45.383 45.100 -0.120 0.000 1.045 216 G HN 1.878 nan 8.290 nan 0.000 0.533 217 Y N -2.499 117.734 120.300 -0.112 0.000 2.666 217 Y HA 0.493 0.546 4.550 -7.496 0.000 0.264 217 Y C 1.481 177.364 175.900 -0.029 0.000 1.054 217 Y CA -0.517 57.546 58.100 -0.061 0.000 1.121 217 Y CB 0.129 38.567 38.460 -0.036 0.000 1.190 217 Y HN 0.484 nan 8.280 nan 0.000 0.587 218 G N 1.150 109.819 108.800 -0.219 0.000 2.527 218 G HA2 -0.168 -0.703 3.960 -7.491 0.000 0.219 218 G HA3 -0.168 -0.703 3.960 -7.491 0.000 0.219 218 G C 1.601 176.511 174.900 0.017 0.000 1.117 218 G CA 0.216 45.221 45.100 -0.157 0.000 0.759 218 G HN 0.272 nan 8.290 nan 0.000 0.556 219 R N 0.576 121.090 120.500 0.025 0.000 2.323 219 R HA -0.016 -0.170 4.340 -7.491 0.000 0.198 219 R C 2.538 178.896 176.300 0.097 0.000 0.988 219 R CA 1.134 57.264 56.100 0.049 0.000 1.041 219 R CB -0.752 29.568 30.300 0.034 0.000 0.926 219 R HN 0.538 nan 8.270 nan 0.000 0.476 220 T N -2.200 112.433 114.554 0.132 0.000 2.929 220 T HA -0.112 -0.257 4.350 -7.491 0.000 0.271 220 T C 0.748 175.369 174.700 -0.131 0.000 1.085 220 T CA 0.995 63.111 62.100 0.028 0.000 1.125 220 T CB -0.211 68.697 68.868 0.067 0.000 0.874 220 T HN 0.052 nan 8.240 nan 0.000 0.494 221 Y N -0.780 119.560 120.300 0.067 0.000 2.488 221 Y HA 0.504 0.556 4.550 -7.496 0.000 0.325 221 Y C 0.860 176.841 175.900 0.134 0.000 1.204 221 Y CA -1.997 56.159 58.100 0.093 0.000 1.229 221 Y CB 0.763 39.241 38.460 0.030 0.000 1.274 221 Y HN -0.076 nan 8.280 nan 0.000 0.493 222 F N 0.189 120.256 119.950 0.196 0.000 2.293 222 F HA 0.083 0.114 4.527 -7.493 0.000 0.297 222 F C 0.877 176.725 175.800 0.081 0.000 1.089 222 F CA 0.806 58.872 58.000 0.110 0.000 1.377 222 F CB 0.139 39.199 39.000 0.100 0.000 1.051 222 F HN 0.258 nan 8.300 nan 0.000 0.511 223 S N 1.000 116.704 115.700 0.007 0.000 2.640 223 S HA 0.588 0.564 4.470 -7.491 0.000 0.320 223 S C -0.963 173.586 174.600 -0.085 0.000 1.097 223 S CA -0.499 57.608 58.200 -0.154 0.000 1.092 223 S CB -0.072 63.085 63.200 -0.072 0.000 0.988 223 S HN 0.447 nan 8.310 nan 0.000 0.470 224 C N 2.779 121.997 119.300 -0.137 0.000 2.985 224 C HA 0.671 0.636 4.460 -7.491 0.000 0.332 224 C C 1.509 176.428 174.990 -0.118 0.000 1.164 224 C CA -0.050 58.892 59.018 -0.126 0.000 1.347 224 C CB 0.510 28.182 27.740 -0.114 0.000 1.764 224 C HN 0.823 nan 8.230 nan 0.000 0.489 225 T N 0.206 114.731 114.554 -0.048 0.000 3.072 225 T HA 0.088 -0.057 4.350 -7.491 0.000 0.266 225 T C 0.777 175.508 174.700 0.051 0.000 1.127 225 T CA 1.192 63.294 62.100 0.004 0.000 1.107 225 T CB -0.559 68.375 68.868 0.111 0.000 0.910 225 T HN 1.267 nan 8.240 nan 0.000 0.513 226 S N 1.317 116.988 115.700 -0.047 0.000 2.624 226 S HA 0.702 0.677 4.470 -7.491 0.000 0.263 226 S C 0.576 175.049 174.600 -0.211 0.000 1.287 226 S CA -0.691 57.358 58.200 -0.251 0.000 0.990 226 S CB 0.690 63.585 63.200 -0.508 0.000 0.950 226 S HN 0.683 nan 8.310 nan 0.000 0.561 227 A N 0.434 123.071 122.820 -0.305 0.000 2.386 227 A HA 0.220 0.045 4.320 -7.491 0.000 0.246 227 A C 1.247 178.775 177.584 -0.094 0.000 1.089 227 A CA -0.290 51.728 52.037 -0.032 0.000 0.790 227 A CB -0.460 18.628 19.000 0.147 0.000 1.042 227 A HN 1.002 nan 8.150 nan 0.000 0.497 228 H N 0.424 119.505 119.070 0.019 0.000 2.489 228 H HA -0.104 -0.042 4.556 -7.491 0.000 0.293 228 H C 1.883 177.233 175.328 0.036 0.000 1.066 228 H CA 2.110 58.175 56.048 0.029 0.000 1.305 228 H CB -0.115 29.678 29.762 0.052 0.000 1.386 228 H HN 0.823 nan 8.280 nan 0.000 0.551 229 T N -2.141 112.499 114.554 0.144 0.000 3.129 229 T HA 0.066 -0.079 4.350 -7.491 0.000 0.251 229 T C 1.077 175.801 174.700 0.041 0.000 1.117 229 T CA -0.149 62.018 62.100 0.111 0.000 1.034 229 T CB -0.000 68.942 68.868 0.124 0.000 0.968 229 T HN -0.067 nan 8.240 nan 0.000 0.526 230 S N 3.293 118.973 115.700 -0.033 0.000 4.139 230 S HA 0.230 0.205 4.470 -7.491 0.000 0.215 230 S C 1.053 175.647 174.600 -0.009 0.000 1.390 230 S CA -0.370 57.779 58.200 -0.085 0.000 0.885 230 S CB -0.472 62.576 63.200 -0.253 0.000 1.560 230 S HN 0.729 nan 8.310 nan 0.000 0.449 231 T N -1.607 112.973 114.554 0.043 0.000 3.266 231 T HA 0.387 0.242 4.350 -7.491 0.000 0.278 231 T C 1.072 175.828 174.700 0.094 0.000 1.010 231 T CA -0.088 62.065 62.100 0.088 0.000 0.909 231 T CB 0.141 69.075 68.868 0.110 0.000 1.122 231 T HN 0.550 nan 8.240 nan 0.000 0.536 232 G N 2.046 110.909 108.800 0.106 0.000 2.412 232 G HA2 -0.259 -0.794 3.960 -7.491 0.000 0.297 232 G HA3 -0.259 -0.794 3.960 -7.491 0.000 0.297 232 G C 0.216 175.116 174.900 0.000 0.000 0.965 232 G CA 0.536 45.688 45.100 0.088 0.000 1.134 232 G HN 0.622 nan 8.290 nan 0.000 0.511 233 D N -0.562 119.819 120.400 -0.032 0.000 2.234 233 D HA 0.142 0.287 4.640 -7.491 0.000 0.205 233 D C 2.396 178.632 176.300 -0.106 0.000 0.962 233 D CA 1.313 55.262 54.000 -0.085 0.000 0.855 233 D CB -0.051 40.621 40.800 -0.214 0.000 0.951 233 D HN 0.468 nan 8.370 nan 0.000 0.500 234 G N 0.121 108.865 108.800 -0.093 0.000 2.453 234 G HA2 -0.148 -0.683 3.960 -7.491 0.000 0.215 234 G HA3 -0.148 -0.683 3.960 -7.491 0.000 0.215 234 G C 1.631 176.486 174.900 -0.075 0.000 1.147 234 G CA 0.839 45.887 45.100 -0.088 0.000 0.802 234 G HN 0.227 nan 8.290 nan 0.000 0.535 235 T N 1.913 116.426 114.554 -0.068 0.000 2.746 235 T HA -0.026 -0.171 4.350 -7.491 0.000 0.267 235 T C 2.754 177.395 174.700 -0.099 0.000 1.039 235 T CA 1.460 63.506 62.100 -0.090 0.000 1.142 235 T CB -0.471 68.331 68.868 -0.111 0.000 0.866 235 T HN 0.312 nan 8.240 nan 0.000 0.444 236 A N 1.490 124.260 122.820 -0.083 0.000 1.917 236 A HA -0.092 -0.267 4.320 -7.491 0.000 0.219 236 A C 2.397 179.956 177.584 -0.042 0.000 1.182 236 A CA 1.855 53.859 52.037 -0.055 0.000 0.633 236 A CB -0.802 18.185 19.000 -0.022 0.000 0.819 236 A HN 0.490 nan 8.150 nan 0.000 0.448 237 M N -1.112 118.458 119.600 -0.050 0.000 2.156 237 M HA -0.089 -0.104 4.480 -7.491 0.000 0.264 237 M C 2.085 178.358 176.300 -0.045 0.000 1.067 237 M CA 1.163 56.437 55.300 -0.043 0.000 1.131 237 M CB -0.308 32.258 32.600 -0.057 0.000 1.368 237 M HN 0.225 nan 8.290 nan 0.000 0.416 238 V N 0.103 119.981 119.914 -0.060 0.000 2.324 238 V HA -0.303 -0.678 4.120 -7.491 0.000 0.250 238 V C 2.294 178.354 176.094 -0.057 0.000 1.060 238 V CA 2.314 64.576 62.300 -0.064 0.000 1.042 238 V CB -1.116 30.656 31.823 -0.085 0.000 0.650 238 V HN 0.518 nan 8.190 nan 0.000 0.450 239 T N -0.433 114.083 114.554 -0.064 0.000 2.674 239 T HA -0.205 -0.350 4.350 -7.491 0.000 0.265 239 T C 1.999 176.689 174.700 -0.017 0.000 1.039 239 T CA 1.526 63.595 62.100 -0.053 0.000 1.150 239 T CB -0.288 68.539 68.868 -0.068 0.000 0.864 239 T HN 0.397 nan 8.240 nan 0.000 0.427 240 R N 0.876 121.369 120.500 -0.011 0.000 2.293 240 R HA 0.093 -0.062 4.340 -7.491 0.000 0.219 240 R C 2.126 178.427 176.300 0.002 0.000 1.091 240 R CA 0.770 56.871 56.100 0.003 0.000 1.004 240 R CB -0.180 30.125 30.300 0.009 0.000 0.865 240 R HN 0.296 nan 8.270 nan 0.000 0.469 241 A N 0.022 122.840 122.820 -0.003 0.000 2.278 241 A HA 0.234 0.059 4.320 -7.491 0.000 0.212 241 A C 1.359 178.954 177.584 0.017 0.000 1.213 241 A CA 0.570 52.606 52.037 -0.001 0.000 0.840 241 A CB -0.009 18.983 19.000 -0.012 0.000 0.866 241 A HN 0.386 nan 8.150 nan 0.000 0.489 242 G N -0.942 107.880 108.800 0.036 0.000 2.153 242 G HA2 -0.244 -0.779 3.960 -7.491 0.000 0.252 242 G HA3 -0.244 -0.779 3.960 -7.491 0.000 0.252 242 G C 0.096 175.103 174.900 0.178 0.000 0.994 242 G CA 0.571 45.725 45.100 0.091 0.000 0.698 242 G HN 0.468 nan 8.290 nan 0.000 0.521 243 L N 1.604 122.879 121.223 0.086 0.000 2.399 243 L HA 0.477 0.322 4.340 -7.491 0.000 0.266 243 L C -1.358 175.425 176.870 -0.145 0.000 1.114 243 L CA -2.240 52.625 54.840 0.041 0.000 0.804 243 L CB 0.986 43.029 42.059 -0.026 0.000 1.146 243 L HN -0.050 nan 8.230 nan 0.000 0.451 244 P HA 0.136 nan 4.420 nan 0.000 0.278 244 P C -1.005 176.058 177.300 -0.396 0.000 1.238 244 P CA -0.521 62.115 63.100 -0.774 0.000 0.794 244 P CB 1.024 32.238 31.700 -0.810 0.000 0.955 245 C N 1.462 120.543 119.300 -0.365 0.000 2.349 245 C HA 0.518 0.483 4.460 -7.491 0.000 0.361 245 C C 0.377 175.256 174.990 -0.186 0.000 1.189 245 C CA -0.136 58.750 59.018 -0.220 0.000 2.155 245 C CB 0.967 28.601 27.740 -0.177 0.000 2.336 245 C HN 0.557 nan 8.230 nan 0.000 0.540 246 Q N 0.470 120.208 119.800 -0.103 0.000 2.356 246 Q HA 0.221 0.067 4.340 -7.491 0.000 0.270 246 Q C -0.903 175.132 176.000 0.060 0.000 1.058 246 Q CA -0.267 55.508 55.803 -0.047 0.000 0.802 246 Q CB 1.121 29.799 28.738 -0.099 0.000 1.303 246 Q HN 0.815 nan 8.270 nan 0.000 0.444 247 D N 2.891 123.385 120.400 0.157 0.000 2.737 247 D HA -0.235 -0.090 4.640 -7.491 0.000 0.233 247 D C 0.822 177.334 176.300 0.353 0.000 1.155 247 D CA 0.728 54.919 54.000 0.318 0.000 0.667 247 D CB -0.653 40.253 40.800 0.176 0.000 1.060 247 D HN 0.664 nan 8.370 nan 0.000 0.427 248 L N 0.345 121.704 121.223 0.228 0.000 2.191 248 L HA -0.173 -0.328 4.340 -7.491 0.000 0.212 248 L C 2.537 179.569 176.870 0.271 0.000 1.103 248 L CA 1.400 56.385 54.840 0.242 0.000 0.769 248 L CB -0.314 41.807 42.059 0.103 0.000 0.908 248 L HN 0.212 nan 8.230 nan 0.000 0.438 249 E N 0.227 120.533 120.200 0.176 0.000 2.516 249 E HA -0.166 -0.311 4.350 -7.491 0.000 0.199 249 E C 0.027 176.583 176.600 -0.072 0.000 1.069 249 E CA 0.346 56.755 56.400 0.016 0.000 0.876 249 E CB -0.236 29.338 29.700 -0.210 0.000 0.843 249 E HN 0.301 nan 8.360 nan 0.000 0.530 250 F N 1.525 121.541 119.950 0.110 0.000 2.351 250 F HA 0.244 0.263 4.527 -7.512 0.000 0.362 250 F C -0.253 175.603 175.800 0.093 0.000 1.131 250 F CA -0.647 57.424 58.000 0.119 0.000 1.187 250 F CB 1.240 40.309 39.000 0.115 0.000 1.434 250 F HN -0.278 nan 8.300 nan 0.000 0.553 251 V N 3.612 123.631 119.914 0.175 0.000 2.378 251 V HA 0.242 -0.133 4.120 -7.491 0.000 0.288 251 V C -0.057 176.031 176.094 -0.009 0.000 1.016 251 V CA -0.937 61.365 62.300 0.004 0.000 0.840 251 V CB 1.462 33.231 31.823 -0.090 0.000 0.994 251 V HN 0.599 nan 8.190 nan 0.000 0.431 252 Q N 3.879 123.678 119.800 -0.002 0.000 2.313 252 Q HA 0.340 0.185 4.340 -7.491 0.000 0.266 252 Q C -1.435 174.503 176.000 -0.103 0.000 0.989 252 Q CA -0.104 55.744 55.803 0.076 0.000 0.890 252 Q CB 0.601 29.444 28.738 0.175 0.000 1.200 252 Q HN 0.588 nan 8.270 nan 0.000 0.396 253 F N 3.194 123.134 119.950 -0.018 0.000 2.361 253 F HA 0.212 0.241 4.527 -7.497 0.000 0.364 253 F C 0.099 175.894 175.800 -0.009 0.000 1.120 253 F CA -0.643 57.337 58.000 -0.034 0.000 1.102 253 F CB 0.829 39.770 39.000 -0.097 0.000 1.183 253 F HN 0.639 nan 8.300 nan 0.000 0.476 254 H N 5.348 124.439 119.070 0.035 0.000 2.929 254 H HA 0.101 0.163 4.556 -7.491 0.000 0.317 254 H C -1.676 173.612 175.328 -0.066 0.000 1.031 254 H CA -1.224 54.747 56.048 -0.128 0.000 1.466 254 H CB 1.108 30.569 29.762 -0.502 0.000 1.482 254 H HN 0.334 nan 8.280 nan 0.000 0.561 255 P HA -0.166 nan 4.420 nan 0.000 0.215 255 P C 0.270 177.651 177.300 0.135 0.000 1.157 255 P CA 1.937 65.079 63.100 0.071 0.000 0.874 255 P CB 0.220 31.899 31.700 -0.034 0.000 0.790 256 T N -3.264 111.430 114.554 0.233 0.000 3.326 256 T HA 0.567 0.422 4.350 -7.491 0.000 0.274 256 T C 0.512 175.163 174.700 -0.081 0.000 1.608 256 T CA -0.830 61.306 62.100 0.059 0.000 1.433 256 T CB -0.278 68.611 68.868 0.035 0.000 1.034 256 T HN -0.012 nan 8.240 nan 0.000 0.694 257 G N 1.343 110.106 108.800 -0.061 0.000 2.395 257 G HA2 0.564 0.030 3.960 -7.491 0.000 0.283 257 G HA3 0.564 0.030 3.960 -7.491 0.000 0.283 257 G C -0.157 174.717 174.900 -0.044 0.000 1.178 257 G CA -0.921 44.119 45.100 -0.101 0.000 0.837 257 G HN 0.768 nan 8.290 nan 0.000 0.518 258 I N 1.974 122.502 120.570 -0.070 0.000 2.692 258 I HA 0.018 -0.307 4.170 -7.491 0.000 0.284 258 I C 1.503 177.623 176.117 0.004 0.000 1.159 258 I CA -0.470 60.815 61.300 -0.025 0.000 1.423 258 I CB 0.755 38.727 38.000 -0.047 0.000 1.380 258 I HN 0.704 nan 8.210 nan 0.000 0.580 259 Y N 6.645 126.886 120.300 -0.097 0.000 2.114 259 Y HA -0.110 -0.055 4.550 -7.492 0.000 0.284 259 Y C 1.757 177.622 175.900 -0.058 0.000 1.143 259 Y CA 1.730 59.764 58.100 -0.111 0.000 1.135 259 Y CB -0.738 37.556 38.460 -0.276 0.000 0.980 259 Y HN 0.697 nan 8.280 nan 0.000 0.499 260 G N -0.132 108.576 108.800 -0.154 0.000 2.866 260 G HA2 -0.175 -0.710 3.960 -7.491 0.000 0.207 260 G HA3 -0.175 -0.710 3.960 -7.491 0.000 0.207 260 G C 1.504 176.293 174.900 -0.186 0.000 1.402 260 G CA 1.099 46.087 45.100 -0.187 0.000 0.830 260 G HN 0.605 nan 8.290 nan 0.000 0.644 261 A N -0.343 122.399 122.820 -0.131 0.000 2.259 261 A HA 0.451 0.277 4.320 -7.491 0.000 0.208 261 A C 1.993 179.414 177.584 -0.272 0.000 1.201 261 A CA 1.272 53.188 52.037 -0.202 0.000 0.824 261 A CB -0.814 18.039 19.000 -0.246 0.000 0.838 261 A HN 2.023 nan 8.150 nan 0.000 0.485 262 G N -1.367 107.293 108.800 -0.233 0.000 2.166 262 G HA2 -0.332 -0.867 3.960 -7.491 0.000 0.260 262 G HA3 -0.332 -0.867 3.960 -7.491 0.000 0.260 262 G C 0.375 175.155 174.900 -0.200 0.000 0.986 262 G CA 0.294 45.276 45.100 -0.196 0.000 0.683 262 G HN 0.747 nan 8.290 nan 0.000 0.527 263 C N 0.237 119.371 119.300 -0.276 0.000 2.662 263 C HA 0.500 0.465 4.460 -7.491 0.000 0.420 263 C C 1.228 176.103 174.990 -0.193 0.000 1.314 263 C CA -0.767 58.089 59.018 -0.270 0.000 1.963 263 C CB 0.147 27.622 27.740 -0.441 0.000 2.686 263 C HN 0.654 nan 8.230 nan 0.000 0.609 264 L N 3.442 124.570 121.223 -0.160 0.000 2.462 264 L HA 0.342 0.187 4.340 -7.491 0.000 0.272 264 L C -0.268 176.493 176.870 -0.181 0.000 1.166 264 L CA 0.693 55.405 54.840 -0.213 0.000 0.880 264 L CB -0.070 41.874 42.059 -0.190 0.000 1.142 264 L HN 0.546 nan 8.230 nan 0.000 0.473 265 I N 4.618 125.064 120.570 -0.207 0.000 2.339 265 I HA 0.188 -0.137 4.170 -7.491 0.000 0.290 265 I C 0.568 176.592 176.117 -0.156 0.000 0.994 265 I CA -0.165 61.058 61.300 -0.129 0.000 1.191 265 I CB 1.725 39.684 38.000 -0.069 0.000 1.343 265 I HN 0.632 nan 8.210 nan 0.000 0.458 266 T N 3.755 118.269 114.554 -0.067 0.000 2.937 266 T HA -0.050 -0.195 4.350 -7.491 0.000 0.316 266 T C 1.247 175.955 174.700 0.012 0.000 1.079 266 T CA 0.250 62.356 62.100 0.010 0.000 1.131 266 T CB 0.564 69.494 68.868 0.104 0.000 1.000 266 T HN 0.792 nan 8.240 nan 0.000 0.549 267 E N 2.366 122.576 120.200 0.018 0.000 2.204 267 E HA -0.056 -0.201 4.350 -7.491 0.000 0.195 267 E C 2.155 178.481 176.600 -0.458 0.000 0.990 267 E CA 1.206 57.406 56.400 -0.334 0.000 0.821 267 E CB -0.757 28.471 29.700 -0.786 0.000 0.750 267 E HN 0.936 nan 8.360 nan 0.000 0.477 268 G N 0.563 109.272 108.800 -0.151 0.000 2.550 268 G HA2 -0.379 -0.913 3.960 -7.491 0.000 0.222 268 G HA3 -0.379 -0.913 3.960 -7.491 0.000 0.222 268 G C 1.641 176.556 174.900 0.026 0.000 1.113 268 G CA 1.119 46.296 45.100 0.128 0.000 0.748 268 G HN 0.409 nan 8.290 nan 0.000 0.585 269 C N -0.192 119.099 119.300 -0.016 0.000 2.413 269 C HA -0.014 -0.049 4.460 -7.491 0.000 0.277 269 C C 2.996 177.956 174.990 -0.050 0.000 1.228 269 C CA 1.062 60.065 59.018 -0.026 0.000 1.731 269 C CB -0.878 26.843 27.740 -0.031 0.000 2.042 269 C HN 0.501 nan 8.230 nan 0.000 0.468 270 R N 0.254 120.695 120.500 -0.097 0.000 2.115 270 R HA -0.045 -0.200 4.340 -7.491 0.000 0.230 270 R C 2.393 178.631 176.300 -0.103 0.000 1.111 270 R CA 1.428 57.463 56.100 -0.108 0.000 0.976 270 R CB -0.619 29.587 30.300 -0.157 0.000 0.870 270 R HN 0.645 nan 8.270 nan 0.000 0.445 271 G N 0.711 109.430 108.800 -0.135 0.000 2.443 271 G HA2 -0.189 -0.724 3.960 -7.491 0.000 0.219 271 G HA3 -0.189 -0.724 3.960 -7.491 0.000 0.219 271 G C 1.105 176.028 174.900 0.039 0.000 1.131 271 G CA 0.317 45.382 45.100 -0.059 0.000 0.775 271 G HN 0.204 nan 8.290 nan 0.000 0.547 272 E N 0.009 120.238 120.200 0.048 0.000 2.479 272 E HA 0.202 0.057 4.350 -7.491 0.000 0.193 272 E C 1.607 178.233 176.600 0.043 0.000 1.049 272 E CA 0.527 56.974 56.400 0.078 0.000 0.870 272 E CB 0.473 30.221 29.700 0.079 0.000 0.944 272 E HN 0.441 nan 8.360 nan 0.000 0.492 273 G N 0.839 109.657 108.800 0.030 0.000 2.192 273 G HA2 -0.182 -0.717 3.960 -7.491 0.000 0.193 273 G HA3 -0.182 -0.717 3.960 -7.491 0.000 0.193 273 G C 0.609 175.565 174.900 0.094 0.000 0.999 273 G CA -0.311 44.827 45.100 0.063 0.000 0.659 273 G HN 0.419 nan 8.290 nan 0.000 0.503 274 G N -0.013 108.797 108.800 0.016 0.000 2.483 274 G HA2 0.537 0.002 3.960 -7.491 0.000 0.248 274 G HA3 0.537 0.002 3.960 -7.491 0.000 0.248 274 G C -0.170 174.752 174.900 0.036 0.000 1.248 274 G CA -0.122 44.993 45.100 0.025 0.000 0.838 274 G HN 0.335 nan 8.290 nan 0.000 0.566 275 I N 1.175 121.781 120.570 0.060 0.000 2.530 275 I HA 0.340 0.015 4.170 -7.491 0.000 0.297 275 I C -0.430 175.638 176.117 -0.082 0.000 1.011 275 I CA -1.332 59.945 61.300 -0.038 0.000 1.107 275 I CB 1.682 39.640 38.000 -0.070 0.000 1.285 275 I HN 0.158 nan 8.210 nan 0.000 0.436 276 L N 6.596 127.706 121.223 -0.189 0.000 2.292 276 L HA 0.501 0.346 4.340 -7.491 0.000 0.284 276 L C -0.257 176.403 176.870 -0.350 0.000 1.065 276 L CA 0.148 54.839 54.840 -0.249 0.000 0.806 276 L CB 0.802 42.629 42.059 -0.387 0.000 1.175 276 L HN 0.338 nan 8.230 nan 0.000 0.431 277 I N 3.527 124.097 120.570 -0.000 0.000 2.534 277 I HA 0.313 -0.012 4.170 -7.491 0.000 0.288 277 I C -0.526 175.835 176.117 0.407 0.000 1.077 277 I CA -0.788 60.618 61.300 0.177 0.000 1.051 277 I CB 1.926 40.024 38.000 0.163 0.000 1.234 277 I HN 0.681 nan 8.210 nan 0.000 0.425 278 N N 3.134 122.128 118.700 0.489 0.000 2.405 278 N HA 0.145 0.390 4.740 -7.491 0.000 0.269 278 N C 0.853 176.457 175.510 0.157 0.000 1.249 278 N CA -0.377 52.826 53.050 0.255 0.000 0.974 278 N CB 0.401 38.974 38.487 0.142 0.000 1.204 278 N HN 0.513 nan 8.380 nan 0.000 0.565 279 S N -2.212 113.519 115.700 0.052 0.000 2.474 279 S HA -0.194 -0.219 4.470 -7.491 0.000 0.235 279 S C 1.421 176.066 174.600 0.075 0.000 0.997 279 S CA 0.659 58.891 58.200 0.053 0.000 0.949 279 S CB -0.527 62.659 63.200 -0.023 0.000 0.766 279 S HN 0.723 nan 8.310 nan 0.000 0.517 280 Q N 1.106 120.951 119.800 0.074 0.000 2.311 280 Q HA 0.140 -0.015 4.340 -7.491 0.000 0.203 280 Q C 1.543 177.595 176.000 0.086 0.000 0.954 280 Q CA 0.814 56.658 55.803 0.068 0.000 0.885 280 Q CB -0.379 28.395 28.738 0.060 0.000 0.963 280 Q HN 0.775 nan 8.270 nan 0.000 0.471 281 G N 0.918 109.790 108.800 0.120 0.000 2.195 281 G HA2 -0.276 -0.811 3.960 -7.491 0.000 0.246 281 G HA3 -0.276 -0.811 3.960 -7.491 0.000 0.246 281 G C -0.063 174.895 174.900 0.098 0.000 0.984 281 G CA 0.301 45.470 45.100 0.115 0.000 0.633 281 G HN 0.438 nan 8.290 nan 0.000 0.525 282 E N 1.320 121.586 120.200 0.110 0.000 2.257 282 E HA 0.205 0.060 4.350 -7.491 0.000 0.278 282 E C 0.768 177.439 176.600 0.120 0.000 1.049 282 E CA -0.600 55.858 56.400 0.097 0.000 0.876 282 E CB 0.232 29.991 29.700 0.097 0.000 1.035 282 E HN 0.419 nan 8.360 nan 0.000 0.419 283 R N 5.500 126.018 120.500 0.031 0.000 2.637 283 R HA -0.081 -0.236 4.340 -7.491 0.000 0.331 283 R C 0.670 176.938 176.300 -0.054 0.000 1.166 283 R CA -0.010 56.047 56.100 -0.071 0.000 0.993 283 R CB -0.549 29.693 30.300 -0.096 0.000 1.012 283 R HN 0.513 nan 8.270 nan 0.000 0.461 284 F N 2.593 122.594 119.950 0.085 0.000 2.502 284 F HA -0.009 0.023 4.527 -7.492 0.000 0.298 284 F C 1.237 177.177 175.800 0.234 0.000 1.111 284 F CA 0.073 58.163 58.000 0.150 0.000 1.445 284 F CB -0.150 38.973 39.000 0.204 0.000 1.081 284 F HN 0.297 nan 8.300 nan 0.000 0.558 285 M N 0.980 120.522 119.600 -0.096 0.000 2.476 285 M HA -0.071 -0.086 4.480 -7.491 0.000 0.262 285 M C 1.812 178.181 176.300 0.116 0.000 1.079 285 M CA 0.848 56.198 55.300 0.084 0.000 1.104 285 M CB -1.214 31.309 32.600 -0.127 0.000 1.409 285 M HN 0.393 nan 8.290 nan 0.000 0.467 286 E N -0.370 119.865 120.200 0.058 0.000 2.204 286 E HA -0.197 -0.342 4.350 -7.491 0.000 0.195 286 E C 2.148 178.786 176.600 0.062 0.000 0.990 286 E CA 0.833 57.262 56.400 0.048 0.000 0.821 286 E CB 0.022 29.734 29.700 0.019 0.000 0.750 286 E HN 0.434 nan 8.360 nan 0.000 0.477 287 R N -0.563 119.986 120.500 0.083 0.000 2.075 287 R HA -0.081 -0.236 4.340 -7.491 0.000 0.226 287 R C 1.711 177.960 176.300 -0.086 0.000 1.114 287 R CA 1.098 57.172 56.100 -0.042 0.000 0.972 287 R CB 0.062 30.281 30.300 -0.135 0.000 0.869 287 R HN 0.180 nan 8.270 nan 0.000 0.437 288 Y N -1.116 119.249 120.300 0.109 0.000 2.314 288 Y HA 0.247 0.302 4.550 -7.493 0.000 0.294 288 Y C 0.523 176.478 175.900 0.092 0.000 1.119 288 Y CA 0.560 58.724 58.100 0.106 0.000 1.179 288 Y CB 0.545 39.090 38.460 0.142 0.000 1.025 288 Y HN 0.044 nan 8.280 nan 0.000 0.541 289 A N -0.344 122.616 122.820 0.234 0.000 2.855 289 A HA 0.430 0.255 4.320 -7.491 0.000 0.313 289 A C -2.296 175.356 177.584 0.113 0.000 1.173 289 A CA -1.197 50.940 52.037 0.168 0.000 0.753 289 A CB 0.451 19.561 19.000 0.183 0.000 1.200 289 A HN -0.031 nan 8.150 nan 0.000 0.442 290 P HA -0.134 nan 4.420 nan 0.000 0.216 290 P C 1.603 178.933 177.300 0.051 0.000 1.150 290 P CA 1.230 64.362 63.100 0.054 0.000 0.837 290 P CB 0.241 31.964 31.700 0.038 0.000 0.786 291 V N 0.287 120.239 119.914 0.063 0.000 2.231 291 V HA -0.148 -0.523 4.120 -7.491 0.000 0.240 291 V C 2.421 178.554 176.094 0.065 0.000 1.039 291 V CA 2.387 64.723 62.300 0.060 0.000 0.998 291 V CB -1.831 30.031 31.823 0.066 0.000 0.639 291 V HN 0.062 nan 8.190 nan 0.000 0.451 292 A N -1.508 121.371 122.820 0.098 0.000 2.123 292 A HA 0.047 -0.128 4.320 -7.491 0.000 0.214 292 A C 1.275 178.875 177.584 0.027 0.000 1.152 292 A CA 0.851 52.935 52.037 0.079 0.000 0.728 292 A CB -0.215 18.869 19.000 0.141 0.000 0.814 292 A HN 0.641 nan 8.150 nan 0.000 0.464 293 K N -1.060 119.361 120.400 0.036 0.000 1.987 293 K HA -0.246 -0.421 4.320 -7.491 0.000 0.206 293 K C -0.063 176.516 176.600 -0.035 0.000 1.587 293 K CA 1.643 57.932 56.287 0.003 0.000 0.589 293 K CB -1.160 31.328 32.500 -0.020 0.000 0.682 293 K HN 0.494 nan 8.250 nan 0.000 0.876 294 D N 0.527 120.876 120.400 -0.084 0.000 2.348 294 D HA 0.083 0.228 4.640 -7.491 0.000 0.248 294 D C 0.464 176.684 176.300 -0.133 0.000 1.142 294 D CA 0.308 54.234 54.000 -0.123 0.000 0.904 294 D CB 0.053 40.756 40.800 -0.162 0.000 0.901 294 D HN 0.186 nan 8.370 nan 0.000 0.523 295 L N -0.078 121.076 121.223 -0.116 0.000 3.066 295 L HA 0.490 0.335 4.340 -7.491 0.000 0.265 295 L C 0.724 177.489 176.870 -0.175 0.000 1.232 295 L CA -0.734 54.018 54.840 -0.148 0.000 1.031 295 L CB -0.431 41.562 42.059 -0.110 0.000 1.379 295 L HN 0.076 nan 8.230 nan 0.000 0.563 296 A N -1.053 121.658 122.820 -0.181 0.000 2.296 296 A HA 0.517 0.343 4.320 -7.491 0.000 0.276 296 A C 0.788 178.078 177.584 -0.491 0.000 1.356 296 A CA -0.161 51.694 52.037 -0.304 0.000 0.825 296 A CB -0.057 18.876 19.000 -0.112 0.000 1.308 296 A HN 0.239 nan 8.150 nan 0.000 0.515 297 S N -0.713 114.560 115.700 -0.712 0.000 2.579 297 S HA 0.142 0.117 4.470 -7.491 0.000 0.275 297 S C 1.556 175.997 174.600 -0.265 0.000 1.345 297 S CA -0.463 57.433 58.200 -0.506 0.000 1.031 297 S CB 0.451 63.421 63.200 -0.382 0.000 0.892 297 S HN 0.556 nan 8.310 nan 0.000 0.529 298 R N 1.581 121.952 120.500 -0.216 0.000 2.096 298 R HA -0.110 -0.265 4.340 -7.491 0.000 0.235 298 R C 1.741 177.978 176.300 -0.105 0.000 1.127 298 R CA 1.596 57.584 56.100 -0.186 0.000 0.968 298 R CB -0.520 29.657 30.300 -0.206 0.000 0.861 298 R HN 0.788 nan 8.270 nan 0.000 0.440 299 D N 0.421 120.786 120.400 -0.058 0.000 2.144 299 D HA -0.103 0.042 4.640 -7.491 0.000 0.200 299 D C 1.876 178.131 176.300 -0.074 0.000 0.978 299 D CA 0.858 54.839 54.000 -0.032 0.000 0.833 299 D CB -0.399 40.420 40.800 0.031 0.000 0.961 299 D HN 0.029 nan 8.370 nan 0.000 0.470 300 V N 0.830 120.715 119.914 -0.050 0.000 2.323 300 V HA -0.174 -0.549 4.120 -7.491 0.000 0.244 300 V C 2.942 178.989 176.094 -0.078 0.000 1.041 300 V CA 1.024 63.307 62.300 -0.028 0.000 1.025 300 V CB -0.220 31.637 31.823 0.056 0.000 0.656 300 V HN 0.087 nan 8.190 nan 0.000 0.451 301 V N -0.659 119.200 119.914 -0.092 0.000 2.295 301 V HA -0.260 -0.635 4.120 -7.491 0.000 0.246 301 V C 2.656 178.695 176.094 -0.091 0.000 1.049 301 V CA 2.405 64.654 62.300 -0.085 0.000 1.024 301 V CB -0.608 31.151 31.823 -0.105 0.000 0.648 301 V HN 0.543 nan 8.190 nan 0.000 0.447 302 S N -0.915 114.719 115.700 -0.110 0.000 2.370 302 S HA -0.251 -0.276 4.470 -7.491 0.000 0.226 302 S C 2.181 176.652 174.600 -0.216 0.000 1.033 302 S CA 2.040 60.166 58.200 -0.123 0.000 1.011 302 S CB -0.267 62.874 63.200 -0.098 0.000 0.852 302 S HN 0.532 nan 8.310 nan 0.000 0.457 303 R N 0.333 120.674 120.500 -0.265 0.000 2.115 303 R HA 0.082 -0.073 4.340 -7.491 0.000 0.226 303 R C 2.217 178.375 176.300 -0.236 0.000 1.100 303 R CA 1.500 57.380 56.100 -0.367 0.000 0.980 303 R CB -0.213 29.882 30.300 -0.342 0.000 0.875 303 R HN 0.271 nan 8.270 nan 0.000 0.445 304 S N 0.059 115.569 115.700 -0.316 0.000 2.436 304 S HA -0.033 -0.058 4.470 -7.491 0.000 0.228 304 S C 1.730 175.991 174.600 -0.565 0.000 1.014 304 S CA 0.952 58.729 58.200 -0.705 0.000 0.950 304 S CB -0.002 62.643 63.200 -0.925 0.000 0.784 304 S HN 0.291 nan 8.310 nan 0.000 0.504 305 M N 1.002 120.441 119.600 -0.268 0.000 2.099 305 M HA -0.088 -0.103 4.480 -7.491 0.000 0.262 305 M C 2.349 178.520 176.300 -0.215 0.000 1.067 305 M CA 1.311 56.485 55.300 -0.209 0.000 1.124 305 M CB -1.007 31.583 32.600 -0.017 0.000 1.353 305 M HN 0.197 nan 8.290 nan 0.000 0.410 306 T N 1.094 115.564 114.554 -0.140 0.000 2.720 306 T HA -0.145 -0.290 4.350 -7.491 0.000 0.268 306 T C 1.672 176.372 174.700 -0.001 0.000 1.037 306 T CA 1.144 63.214 62.100 -0.050 0.000 1.144 306 T CB -0.233 68.619 68.868 -0.027 0.000 0.864 306 T HN 0.134 nan 8.240 nan 0.000 0.444 307 L N 1.006 122.234 121.223 0.008 0.000 2.217 307 L HA 0.080 -0.075 4.340 -7.491 0.000 0.211 307 L C 2.344 179.172 176.870 -0.070 0.000 1.107 307 L CA 1.463 56.310 54.840 0.013 0.000 0.783 307 L CB -0.553 41.562 42.059 0.093 0.000 0.919 307 L HN 0.097 nan 8.230 nan 0.000 0.442 308 E N -0.600 119.486 120.200 -0.191 0.000 2.208 308 E HA -0.112 -0.257 4.350 -7.491 0.000 0.193 308 E C 2.277 178.764 176.600 -0.189 0.000 0.988 308 E CA 0.891 57.142 56.400 -0.248 0.000 0.828 308 E CB 0.050 29.398 29.700 -0.587 0.000 0.763 308 E HN 0.507 nan 8.360 nan 0.000 0.478 309 I N 0.515 120.991 120.570 -0.157 0.000 2.162 309 I HA -0.195 -0.520 4.170 -7.491 0.000 0.238 309 I C 2.489 178.553 176.117 -0.088 0.000 1.076 309 I CA 0.707 61.936 61.300 -0.119 0.000 1.353 309 I CB -0.192 37.757 38.000 -0.086 0.000 1.063 309 I HN -0.072 nan 8.210 nan 0.000 0.408 310 R N 0.966 121.423 120.500 -0.071 0.000 2.200 310 R HA -0.166 -0.321 4.340 -7.491 0.000 0.234 310 R C 1.193 177.451 176.300 -0.070 0.000 1.127 310 R CA 1.157 57.217 56.100 -0.067 0.000 0.989 310 R CB -0.315 29.938 30.300 -0.077 0.000 0.869 310 R HN 0.547 nan 8.270 nan 0.000 0.459 311 E N -1.174 118.982 120.200 -0.072 0.000 2.476 311 E HA 0.127 -0.018 4.350 -7.491 0.000 0.196 311 E C 0.677 177.240 176.600 -0.063 0.000 1.029 311 E CA 0.288 56.650 56.400 -0.064 0.000 0.896 311 E CB 0.890 30.558 29.700 -0.054 0.000 1.012 311 E HN 0.453 nan 8.360 nan 0.000 0.475 312 G N 2.119 110.876 108.800 -0.072 0.000 2.175 312 G HA2 -0.310 -0.845 3.960 -7.491 0.000 0.244 312 G HA3 -0.310 -0.845 3.960 -7.491 0.000 0.244 312 G C 0.859 175.712 174.900 -0.078 0.000 0.982 312 G CA -0.081 44.977 45.100 -0.070 0.000 0.641 312 G HN 0.152 nan 8.290 nan 0.000 0.527 313 R N 1.071 121.516 120.500 -0.091 0.000 2.547 313 R HA 0.443 0.288 4.340 -7.491 0.000 0.258 313 R C 1.536 177.753 176.300 -0.138 0.000 1.115 313 R CA 0.621 56.665 56.100 -0.094 0.000 1.152 313 R CB 0.063 30.313 30.300 -0.085 0.000 1.221 313 R HN 0.468 nan 8.270 nan 0.000 0.539 314 G N -0.564 108.138 108.800 -0.163 0.000 2.503 314 G HA2 0.295 -0.240 3.960 -7.491 0.000 0.257 314 G HA3 0.295 -0.240 3.960 -7.491 0.000 0.257 314 G C -0.324 174.386 174.900 -0.318 0.000 1.214 314 G CA -0.444 44.512 45.100 -0.239 0.000 0.839 314 G HN 0.256 nan 8.290 nan 0.000 0.559 315 C N -0.278 118.695 119.300 -0.544 0.000 2.401 315 C HA 0.995 0.960 4.460 -7.491 0.000 0.356 315 C C 0.929 175.351 174.990 -0.947 0.000 1.192 315 C CA 0.513 59.128 59.018 -0.672 0.000 2.028 315 C CB 0.541 27.711 27.740 -0.950 0.000 2.344 315 C HN 1.651 nan 8.230 nan 0.000 0.525 316 G N 2.488 111.014 108.800 -0.456 0.000 2.781 316 G HA2 -0.088 -0.623 3.960 -7.491 0.000 0.683 316 G HA3 -0.088 -0.623 3.960 -7.491 0.000 0.683 316 G C -2.161 172.651 174.900 -0.146 0.000 1.390 316 G CA -0.366 44.596 45.100 -0.230 0.000 0.850 316 G HN 0.450 nan 8.290 nan 0.000 0.557 317 P HA -0.022 nan 4.420 nan 0.000 0.216 317 P C 1.362 178.652 177.300 -0.017 0.000 1.150 317 P CA 1.820 64.921 63.100 0.001 0.000 0.843 317 P CB 0.178 31.909 31.700 0.051 0.000 0.787 318 E N -0.785 119.403 120.200 -0.019 0.000 2.489 318 E HA 0.013 -0.132 4.350 -7.491 0.000 0.193 318 E C 0.250 176.804 176.600 -0.076 0.000 1.057 318 E CA 0.105 56.503 56.400 -0.004 0.000 0.866 318 E CB -0.648 29.106 29.700 0.090 0.000 0.916 318 E HN -0.062 nan 8.360 nan 0.000 0.500 319 K N 0.599 120.891 120.400 -0.180 0.000 3.016 319 K HA -0.192 -0.366 4.320 -7.491 0.000 0.262 319 K C -0.648 175.810 176.600 -0.236 0.000 1.043 319 K CA 0.907 57.055 56.287 -0.231 0.000 0.761 319 K CB -1.316 31.102 32.500 -0.136 0.000 1.230 319 K HN 0.333 nan 8.250 nan 0.000 0.485 320 D N -0.695 119.539 120.400 -0.277 0.000 2.538 320 D HA 0.028 0.173 4.640 -7.491 0.000 0.231 320 D C 0.442 176.693 176.300 -0.082 0.000 1.229 320 D CA -0.154 53.782 54.000 -0.107 0.000 0.828 320 D CB -0.016 40.831 40.800 0.079 0.000 1.035 320 D HN 0.587 nan 8.370 nan 0.000 0.495 321 H N -2.639 116.291 119.070 -0.233 0.000 2.947 321 H HA 0.682 0.743 4.556 -7.492 0.000 0.290 321 H C -1.330 173.828 175.328 -0.282 0.000 1.430 321 H CA -0.983 54.918 56.048 -0.244 0.000 1.189 321 H CB 0.912 30.444 29.762 -0.383 0.000 1.875 321 H HN -0.186 nan 8.280 nan 0.000 0.568 322 V N -0.262 119.658 119.914 0.010 0.000 3.229 322 V HA 0.332 -0.043 4.120 -7.491 0.000 0.310 322 V C -1.248 174.829 176.094 -0.028 0.000 1.206 322 V CA -0.738 61.551 62.300 -0.019 0.000 1.051 322 V CB 1.779 33.696 31.823 0.155 0.000 1.183 322 V HN 0.614 nan 8.190 nan 0.000 0.466 323 Y N 0.650 121.054 120.300 0.174 0.000 2.350 323 Y HA 0.539 0.594 4.550 -7.491 0.000 0.338 323 Y C -0.226 175.709 175.900 0.059 0.000 0.961 323 Y CA -1.048 57.120 58.100 0.112 0.000 1.100 323 Y CB 1.733 40.256 38.460 0.105 0.000 1.179 323 Y HN 0.321 nan 8.280 nan 0.000 0.454 324 L N 4.973 126.328 121.223 0.220 0.000 2.287 324 L HA 0.369 0.214 4.340 -7.491 0.000 0.280 324 L C -0.179 176.705 176.870 0.023 0.000 1.055 324 L CA -0.436 54.455 54.840 0.085 0.000 0.863 324 L CB 0.646 42.736 42.059 0.052 0.000 1.245 324 L HN 0.706 nan 8.230 nan 0.000 0.432 325 Q N 3.855 123.641 119.800 -0.023 0.000 2.296 325 Q HA 0.231 0.076 4.340 -7.491 0.000 0.262 325 Q C -0.185 175.736 176.000 -0.131 0.000 0.981 325 Q CA -0.078 55.629 55.803 -0.160 0.000 0.905 325 Q CB 1.137 29.754 28.738 -0.201 0.000 1.186 325 Q HN 0.813 nan 8.270 nan 0.000 0.399 326 L N 3.555 124.645 121.223 -0.222 0.000 2.803 326 L HA 0.080 -0.075 4.340 -7.491 0.000 0.246 326 L C 1.868 178.561 176.870 -0.294 0.000 1.100 326 L CA -0.203 54.487 54.840 -0.249 0.000 0.919 326 L CB -0.205 41.776 42.059 -0.131 0.000 1.285 326 L HN 0.794 nan 8.230 nan 0.000 0.522 327 H N 0.442 119.477 119.070 -0.058 0.000 2.541 327 H HA -0.181 -0.120 4.556 -7.491 0.000 0.289 327 H C 1.735 177.052 175.328 -0.019 0.000 1.054 327 H CA 1.463 57.488 56.048 -0.038 0.000 1.250 327 H CB -0.432 29.325 29.762 -0.008 0.000 1.369 327 H HN 0.614 nan 8.280 nan 0.000 0.578 328 H N 0.169 119.288 119.070 0.081 0.000 2.512 328 H HA 0.091 0.152 4.556 -7.492 0.000 0.279 328 H C 0.577 175.930 175.328 0.042 0.000 0.999 328 H CA -0.420 55.684 56.048 0.094 0.000 1.283 328 H CB -0.115 29.671 29.762 0.040 0.000 1.421 328 H HN 0.108 nan 8.280 nan 0.000 0.554 329 L N 2.835 123.783 121.223 -0.459 0.000 2.467 329 L HA 0.220 0.065 4.340 -7.491 0.000 0.270 329 L C -1.927 174.892 176.870 -0.085 0.000 1.205 329 L CA -2.143 52.551 54.840 -0.244 0.000 0.828 329 L CB 0.215 42.110 42.059 -0.273 0.000 1.101 329 L HN 0.115 nan 8.230 nan 0.000 0.479 330 P HA 0.141 nan 4.420 nan 0.000 0.271 330 P C -1.965 175.321 177.300 -0.024 0.000 1.216 330 P CA -1.035 62.054 63.100 -0.017 0.000 0.776 330 P CB 0.108 31.803 31.700 -0.009 0.000 0.881 331 P HA -0.224 nan 4.420 nan 0.000 0.216 331 P C 1.381 178.671 177.300 -0.018 0.000 1.153 331 P CA 1.538 64.630 63.100 -0.014 0.000 0.858 331 P CB -0.185 31.510 31.700 -0.008 0.000 0.789 332 E N 0.110 120.299 120.200 -0.017 0.000 2.204 332 E HA -0.232 -0.377 4.350 -7.491 0.000 0.194 332 E C 1.985 178.568 176.600 -0.029 0.000 0.989 332 E CA 1.118 57.505 56.400 -0.021 0.000 0.824 332 E CB -0.940 28.749 29.700 -0.019 0.000 0.756 332 E HN 0.387 nan 8.360 nan 0.000 0.477 333 Q N 0.496 120.279 119.800 -0.028 0.000 2.096 333 Q HA 0.019 -0.136 4.340 -7.491 0.000 0.197 333 Q C 2.531 178.512 176.000 -0.030 0.000 0.964 333 Q CA 0.525 56.309 55.803 -0.032 0.000 0.838 333 Q CB 0.108 28.832 28.738 -0.025 0.000 0.906 333 Q HN 0.317 nan 8.270 nan 0.000 0.444 334 L N 0.126 121.331 121.223 -0.030 0.000 2.046 334 L HA -0.166 -0.321 4.340 -7.491 0.000 0.208 334 L C 2.562 179.421 176.870 -0.018 0.000 1.077 334 L CA 1.022 55.847 54.840 -0.025 0.000 0.747 334 L CB -0.632 41.410 42.059 -0.029 0.000 0.896 334 L HN 0.237 nan 8.230 nan 0.000 0.432 335 A N -0.273 122.535 122.820 -0.020 0.000 1.883 335 A HA -0.168 -0.343 4.320 -7.491 0.000 0.217 335 A C 2.294 179.863 177.584 -0.024 0.000 1.186 335 A CA 2.142 54.167 52.037 -0.019 0.000 0.624 335 A CB -0.805 18.183 19.000 -0.020 0.000 0.822 335 A HN 0.209 nan 8.150 nan 0.000 0.444 336 V N -0.431 119.462 119.914 -0.036 0.000 2.446 336 V HA -0.096 -0.471 4.120 -7.491 0.000 0.244 336 V C 2.620 178.684 176.094 -0.051 0.000 1.039 336 V CA 1.634 63.903 62.300 -0.052 0.000 1.045 336 V CB -0.664 31.111 31.823 -0.079 0.000 0.681 336 V HN 0.424 nan 8.190 nan 0.000 0.459 337 R N -0.066 120.410 120.500 -0.040 0.000 2.140 337 R HA 0.251 0.096 4.340 -7.491 0.000 0.213 337 R C 0.807 177.131 176.300 0.039 0.000 1.059 337 R CA 0.740 56.840 56.100 -0.001 0.000 1.000 337 R CB -0.095 30.221 30.300 0.026 0.000 0.910 337 R HN 0.387 nan 8.270 nan 0.000 0.455 338 L N 1.608 122.842 121.223 0.019 0.000 2.725 338 L HA 0.276 0.121 4.340 -7.491 0.000 0.270 338 L C -1.906 174.969 176.870 0.010 0.000 1.422 338 L CA -1.112 53.742 54.840 0.025 0.000 0.770 338 L CB 1.755 43.827 42.059 0.021 0.000 1.081 338 L HN -0.120 nan 8.230 nan 0.000 0.527 339 P HA -0.021 nan 4.420 nan 0.000 0.221 339 P C 1.604 178.903 177.300 -0.002 0.000 1.155 339 P CA 0.897 63.994 63.100 -0.004 0.000 0.812 339 P CB 0.442 32.135 31.700 -0.012 0.000 0.801 340 G N 1.764 110.564 108.800 0.000 0.000 2.484 340 G HA2 -0.242 -0.777 3.960 -7.491 0.000 0.215 340 G HA3 -0.242 -0.777 3.960 -7.491 0.000 0.215 340 G C 1.477 176.385 174.900 0.013 0.000 1.219 340 G CA 1.425 46.525 45.100 -0.000 0.000 0.791 340 G HN 0.357 nan 8.290 nan 0.000 0.550 341 I N -0.501 120.078 120.570 0.015 0.000 2.264 341 I HA -0.065 -0.389 4.170 -7.491 0.000 0.248 341 I C 2.579 178.710 176.117 0.023 0.000 1.111 341 I CA 1.956 63.266 61.300 0.016 0.000 1.382 341 I CB -0.933 37.072 38.000 0.008 0.000 1.060 341 I HN 0.042 nan 8.210 nan 0.000 0.418 342 S N 0.664 116.374 115.700 0.016 0.000 2.369 342 S HA -0.267 -0.292 4.470 -7.491 0.000 0.225 342 S C 2.003 176.618 174.600 0.024 0.000 1.043 342 S CA 1.969 60.178 58.200 0.016 0.000 1.074 342 S CB -0.517 62.686 63.200 0.006 0.000 0.962 342 S HN 0.589 nan 8.310 nan 0.000 0.433 343 E N -0.031 120.183 120.200 0.022 0.000 2.049 343 E HA -0.177 -0.322 4.350 -7.491 0.000 0.198 343 E C 2.451 179.087 176.600 0.060 0.000 1.007 343 E CA 1.724 58.140 56.400 0.027 0.000 0.809 343 E CB -0.458 29.253 29.700 0.017 0.000 0.749 343 E HN 0.587 nan 8.360 nan 0.000 0.450 344 T N -0.645 113.964 114.554 0.091 0.000 3.023 344 T HA 0.085 -0.060 4.350 -7.491 0.000 0.266 344 T C 1.775 176.601 174.700 0.209 0.000 1.093 344 T CA 1.106 63.321 62.100 0.191 0.000 1.129 344 T CB 0.030 69.009 68.868 0.186 0.000 0.899 344 T HN 0.158 nan 8.240 nan 0.000 0.491 345 A N 1.068 123.957 122.820 0.114 0.000 1.968 345 A HA 0.178 0.003 4.320 -7.491 0.000 0.217 345 A C 2.229 179.867 177.584 0.090 0.000 1.169 345 A CA 1.613 53.710 52.037 0.099 0.000 0.638 345 A CB -0.635 18.401 19.000 0.060 0.000 0.812 345 A HN 0.571 nan 8.150 nan 0.000 0.446 346 M N -0.021 119.618 119.600 0.065 0.000 2.193 346 M HA 0.120 0.105 4.480 -7.491 0.000 0.265 346 M C 1.710 178.020 176.300 0.016 0.000 1.071 346 M CA 1.472 56.794 55.300 0.036 0.000 1.140 346 M CB -0.579 32.031 32.600 0.017 0.000 1.369 346 M HN 0.338 nan 8.290 nan 0.000 0.423 347 I N -1.040 119.536 120.570 0.011 0.000 2.252 347 I HA -0.235 -0.560 4.170 -7.491 0.000 0.245 347 I C 1.560 177.548 176.117 -0.215 0.000 1.102 347 I CA 1.291 62.521 61.300 -0.116 0.000 1.385 347 I CB -0.354 37.553 38.000 -0.155 0.000 1.064 347 I HN 0.178 nan 8.210 nan 0.000 0.414 348 F N -0.095 119.859 119.950 0.007 0.000 2.530 348 F HA 0.199 0.231 4.527 -7.490 0.000 0.292 348 F C 2.117 177.927 175.800 0.017 0.000 1.109 348 F CA 0.702 58.707 58.000 0.008 0.000 1.450 348 F CB 0.048 39.048 39.000 0.001 0.000 1.114 348 F HN -0.072 nan 8.300 nan 0.000 0.560 349 A N -0.948 121.977 122.820 0.175 0.000 2.508 349 A HA 0.515 0.340 4.320 -7.491 0.000 0.250 349 A C 1.691 179.325 177.584 0.084 0.000 1.208 349 A CA 0.513 52.628 52.037 0.130 0.000 0.960 349 A CB -0.505 18.573 19.000 0.129 0.000 1.099 349 A HN 0.426 nan 8.150 nan 0.000 0.542 350 G N -0.514 108.320 108.800 0.056 0.000 2.179 350 G HA2 -0.191 -0.726 3.960 -7.491 0.000 0.257 350 G HA3 -0.191 -0.726 3.960 -7.491 0.000 0.257 350 G C 0.121 175.042 174.900 0.035 0.000 1.010 350 G CA 0.411 45.530 45.100 0.033 0.000 0.736 350 G HN 0.893 nan 8.290 nan 0.000 0.513 351 V N 0.816 120.757 119.914 0.046 0.000 2.407 351 V HA 0.437 0.062 4.120 -7.491 0.000 0.278 351 V C 0.138 176.250 176.094 0.031 0.000 1.037 351 V CA -0.718 61.606 62.300 0.040 0.000 0.900 351 V CB 1.858 33.712 31.823 0.052 0.000 0.983 351 V HN 0.331 nan 8.190 nan 0.000 0.459 352 D N 3.968 124.381 120.400 0.022 0.000 2.393 352 D HA 0.139 0.285 4.640 -7.491 0.000 0.232 352 D C 1.174 177.490 176.300 0.027 0.000 1.192 352 D CA -0.327 53.684 54.000 0.018 0.000 0.882 352 D CB 1.667 42.471 40.800 0.007 0.000 1.038 352 D HN 0.358 nan 8.370 nan 0.000 0.499 353 V N 2.320 122.250 119.914 0.027 0.000 2.527 353 V HA -0.217 -0.592 4.120 -7.491 0.000 0.255 353 V C 2.064 178.187 176.094 0.048 0.000 1.081 353 V CA 2.024 64.343 62.300 0.030 0.000 1.092 353 V CB -1.312 30.518 31.823 0.012 0.000 0.673 353 V HN 0.528 nan 8.190 nan 0.000 0.470 354 T N -1.552 113.024 114.554 0.037 0.000 3.067 354 T HA 0.030 -0.115 4.350 -7.491 0.000 0.261 354 T C 1.718 176.451 174.700 0.055 0.000 1.110 354 T CA 1.383 63.509 62.100 0.044 0.000 1.113 354 T CB -0.018 68.859 68.868 0.015 0.000 0.917 354 T HN 0.506 nan 8.240 nan 0.000 0.499 355 K N 0.207 120.625 120.400 0.030 0.000 2.273 355 K HA 0.274 0.099 4.320 -7.491 0.000 0.206 355 K C 0.468 177.037 176.600 -0.052 0.000 1.072 355 K CA 0.556 56.820 56.287 -0.038 0.000 0.953 355 K CB 0.532 33.007 32.500 -0.041 0.000 1.043 355 K HN 0.146 nan 8.250 nan 0.000 0.477 356 E N 0.387 120.614 120.200 0.044 0.000 2.235 356 E HA 0.372 0.227 4.350 -7.491 0.000 0.265 356 E C -2.565 174.117 176.600 0.136 0.000 0.940 356 E CA -2.557 53.882 56.400 0.065 0.000 0.819 356 E CB 1.066 30.758 29.700 -0.014 0.000 1.206 356 E HN -0.078 nan 8.360 nan 0.000 0.409 357 P HA 0.268 nan 4.420 nan 0.000 0.286 357 P C -0.229 177.063 177.300 -0.014 0.000 1.261 357 P CA -0.623 62.449 63.100 -0.048 0.000 0.821 357 P CB 0.597 32.180 31.700 -0.195 0.000 1.013 358 I N 3.302 123.904 120.570 0.054 0.000 2.588 358 I HA 0.135 -0.190 4.170 -7.491 0.000 0.283 358 I C -1.964 174.278 176.117 0.208 0.000 1.119 358 I CA -2.822 58.537 61.300 0.098 0.000 1.419 358 I CB -0.386 37.653 38.000 0.065 0.000 1.394 358 I HN 0.179 nan 8.210 nan 0.000 0.562 359 P HA 0.255 nan 4.420 nan 0.000 0.282 359 P C -0.674 176.639 177.300 0.022 0.000 1.262 359 P CA -0.029 63.115 63.100 0.074 0.000 0.773 359 P CB 1.155 32.716 31.700 -0.232 0.000 0.879 360 V N 1.791 121.732 119.914 0.046 0.000 3.078 360 V HA 0.848 0.473 4.120 -7.491 0.000 0.311 360 V C -1.054 175.101 176.094 0.101 0.000 1.138 360 V CA -1.229 61.113 62.300 0.071 0.000 1.007 360 V CB 2.205 34.072 31.823 0.073 0.000 1.045 360 V HN 0.437 nan 8.190 nan 0.000 0.432 361 L N 1.886 123.172 121.223 0.104 0.000 2.592 361 L HA 0.803 0.648 4.340 -7.491 0.000 0.258 361 L C -3.102 173.825 176.870 0.095 0.000 0.926 361 L CA -1.472 53.440 54.840 0.120 0.000 0.885 361 L CB 2.397 44.573 42.059 0.194 0.000 1.380 361 L HN 0.532 nan 8.230 nan 0.000 0.415 362 P HA 0.296 nan 4.420 nan 0.000 0.262 362 P C -1.298 176.113 177.300 0.186 0.000 1.182 362 P CA 0.309 63.480 63.100 0.118 0.000 0.761 362 P CB 0.452 32.176 31.700 0.039 0.000 0.795 363 T N -0.918 113.756 114.554 0.200 0.000 2.956 363 T HA 0.324 0.179 4.350 -7.491 0.000 0.312 363 T C -0.364 174.317 174.700 -0.033 0.000 1.151 363 T CA -0.883 61.286 62.100 0.114 0.000 1.024 363 T CB 0.373 69.247 68.868 0.010 0.000 1.140 363 T HN -0.021 nan 8.240 nan 0.000 0.473 364 V N 3.069 122.775 119.914 -0.346 0.000 2.681 364 V HA 0.108 -0.267 4.120 -7.491 0.000 0.306 364 V C 1.155 177.122 176.094 -0.211 0.000 1.077 364 V CA 1.023 62.934 62.300 -0.648 0.000 1.224 364 V CB 0.056 31.368 31.823 -0.850 0.000 0.879 364 V HN 1.184 nan 8.190 nan 0.000 0.494 365 H N 3.646 122.554 119.070 -0.270 0.000 2.006 365 H HA 0.276 0.337 4.556 -7.493 0.000 0.189 365 H C -0.563 174.771 175.328 0.011 0.000 0.887 365 H CA 0.152 56.166 56.048 -0.056 0.000 0.958 365 H CB 0.549 30.364 29.762 0.088 0.000 1.163 365 H HN 0.551 nan 8.280 nan 0.000 0.364 366 Y N 1.187 121.352 120.300 -0.224 0.000 2.457 366 Y HA 0.405 0.459 4.550 -7.493 0.000 0.343 366 Y C -1.493 174.272 175.900 -0.224 0.000 0.994 366 Y CA -1.139 56.799 58.100 -0.269 0.000 1.031 366 Y CB 1.400 39.729 38.460 -0.218 0.000 1.246 366 Y HN 0.171 nan 8.280 nan 0.000 0.449 367 N N 7.097 125.279 118.700 -0.863 0.000 2.500 367 N HA 0.171 0.417 4.740 -7.491 0.000 0.236 367 N C 0.826 175.952 175.510 -0.639 0.000 1.022 367 N CA -0.397 52.267 53.050 -0.643 0.000 0.935 367 N CB 0.800 38.873 38.487 -0.689 0.000 1.147 367 N HN 0.634 nan 8.380 nan 0.000 0.512 368 M N -0.463 119.061 119.600 -0.127 0.000 2.476 368 M HA 0.124 0.109 4.480 -7.491 0.000 0.262 368 M C 0.971 177.345 176.300 0.123 0.000 1.079 368 M CA 0.410 55.815 55.300 0.176 0.000 1.104 368 M CB -0.779 32.024 32.600 0.339 0.000 1.409 368 M HN 0.304 nan 8.290 nan 0.000 0.467 369 G N 0.242 109.109 108.800 0.111 0.000 2.621 369 G HA2 0.519 -0.016 3.960 -7.491 0.000 0.271 369 G HA3 0.519 -0.016 3.960 -7.491 0.000 0.271 369 G C 0.157 175.106 174.900 0.081 0.000 1.236 369 G CA 0.192 45.368 45.100 0.128 0.000 0.958 369 G HN 0.627 nan 8.290 nan 0.000 0.512 370 G N -1.447 107.387 108.800 0.056 0.000 2.439 370 G HA2 0.172 -0.363 3.960 -7.491 0.000 0.186 370 G HA3 0.172 -0.363 3.960 -7.491 0.000 0.186 370 G C -0.945 173.923 174.900 -0.053 0.000 1.260 370 G CA -0.581 44.526 45.100 0.013 0.000 1.020 370 G HN 0.809 nan 8.290 nan 0.000 0.470 371 I N 3.817 124.343 120.570 -0.072 0.000 2.363 371 I HA 0.298 -0.027 4.170 -7.491 0.000 0.292 371 I C -1.806 174.234 176.117 -0.128 0.000 1.075 371 I CA -1.602 59.636 61.300 -0.103 0.000 1.333 371 I CB 1.374 39.318 38.000 -0.093 0.000 1.415 371 I HN 0.151 nan 8.210 nan 0.000 0.502 372 P HA 0.087 nan 4.420 nan 0.000 0.268 372 P C -0.391 176.804 177.300 -0.176 0.000 1.204 372 P CA 0.030 63.024 63.100 -0.176 0.000 0.768 372 P CB 0.883 32.476 31.700 -0.178 0.000 0.842 373 T N -0.848 113.587 114.554 -0.198 0.000 2.864 373 T HA 0.358 0.213 4.350 -7.491 0.000 0.299 373 T C 0.064 174.655 174.700 -0.182 0.000 1.166 373 T CA -1.023 60.956 62.100 -0.201 0.000 1.007 373 T CB 0.640 69.373 68.868 -0.225 0.000 1.219 373 T HN 0.254 nan 8.240 nan 0.000 0.506 374 N N -0.042 118.557 118.700 -0.170 0.000 2.237 374 N HA 0.091 0.336 4.740 -7.491 0.000 0.222 374 N C 0.872 176.304 175.510 -0.130 0.000 1.311 374 N CA 0.446 53.420 53.050 -0.128 0.000 0.880 374 N CB 0.157 38.512 38.487 -0.220 0.000 1.106 374 N HN 0.854 nan 8.380 nan 0.000 0.435 375 Y N -0.983 119.232 120.300 -0.141 0.000 2.571 375 Y HA 0.083 0.137 4.550 -7.493 0.000 0.294 375 Y C 1.240 177.037 175.900 -0.171 0.000 1.141 375 Y CA 0.687 58.710 58.100 -0.127 0.000 1.308 375 Y CB 0.024 38.441 38.460 -0.073 0.000 1.002 375 Y HN 0.324 nan 8.280 nan 0.000 0.551 376 K N 0.231 120.228 120.400 -0.672 0.000 2.393 376 K HA 0.258 0.083 4.320 -7.491 0.000 0.193 376 K C 1.329 177.836 176.600 -0.155 0.000 1.026 376 K CA 0.590 56.549 56.287 -0.547 0.000 1.064 376 K CB 0.210 32.367 32.500 -0.571 0.000 0.833 376 K HN 0.610 nan 8.250 nan 0.000 0.521 377 G N 1.277 109.996 108.800 -0.135 0.000 2.201 377 G HA2 -0.236 -0.771 3.960 -7.491 0.000 0.212 377 G HA3 -0.236 -0.771 3.960 -7.491 0.000 0.212 377 G C -0.337 174.505 174.900 -0.096 0.000 0.994 377 G CA -0.443 44.659 45.100 0.003 0.000 0.644 377 G HN 0.311 nan 8.290 nan 0.000 0.508 378 Q N 0.774 120.377 119.800 -0.329 0.000 2.286 378 Q HA 0.557 0.402 4.340 -7.491 0.000 0.257 378 Q C 0.351 176.133 176.000 -0.363 0.000 0.941 378 Q CA -0.585 54.853 55.803 -0.607 0.000 0.912 378 Q CB 2.429 30.816 28.738 -0.585 0.000 1.192 378 Q HN 0.159 nan 8.270 nan 0.000 0.410 379 V N 4.337 124.047 119.914 -0.340 0.000 2.585 379 V HA 0.046 -0.329 4.120 -7.491 0.000 0.296 379 V C 0.226 176.212 176.094 -0.180 0.000 1.035 379 V CA 0.110 62.281 62.300 -0.215 0.000 1.084 379 V CB 0.039 31.760 31.823 -0.170 0.000 0.953 379 V HN 0.579 nan 8.190 nan 0.000 0.483 380 L N 6.333 127.473 121.223 -0.139 0.000 2.309 380 L HA 0.661 0.506 4.340 -7.491 0.000 0.282 380 L C 0.399 177.236 176.870 -0.055 0.000 1.036 380 L CA -0.648 54.138 54.840 -0.091 0.000 0.806 380 L CB 1.400 43.415 42.059 -0.073 0.000 1.220 380 L HN 0.772 nan 8.230 nan 0.000 0.429 381 R N 0.014 120.505 120.500 -0.014 0.000 2.810 381 R HA 0.584 0.429 4.340 -7.491 0.000 0.245 381 R C -0.978 175.399 176.300 0.128 0.000 1.168 381 R CA -0.924 55.205 56.100 0.048 0.000 1.096 381 R CB 1.038 31.363 30.300 0.042 0.000 1.259 381 R HN 0.461 nan 8.270 nan 0.000 0.518 382 H N -0.004 119.098 119.070 0.054 0.000 2.887 382 H HA 0.415 0.479 4.556 -7.487 0.000 0.300 382 H C -1.655 173.696 175.328 0.039 0.000 1.038 382 H CA -0.504 55.575 56.048 0.052 0.000 1.352 382 H CB 1.284 31.101 29.762 0.091 0.000 1.473 382 H HN 0.375 nan 8.280 nan 0.000 0.503 383 V N 5.906 125.687 119.914 -0.223 0.000 2.378 383 V HA 0.191 -0.184 4.120 -7.491 0.000 0.288 383 V C 0.663 176.613 176.094 -0.240 0.000 1.016 383 V CA -0.864 61.333 62.300 -0.171 0.000 0.840 383 V CB 1.235 33.000 31.823 -0.097 0.000 0.994 383 V HN 1.118 nan 8.190 nan 0.000 0.431 384 N N 4.005 122.592 118.700 -0.187 0.000 2.738 384 N HA -0.203 0.042 4.740 -7.491 0.000 0.249 384 N C 0.969 176.348 175.510 -0.220 0.000 1.047 384 N CA 0.584 53.542 53.050 -0.154 0.000 0.707 384 N CB -0.565 37.855 38.487 -0.110 0.000 0.937 384 N HN 1.544 nan 8.380 nan 0.000 0.545 385 G N -0.101 108.493 108.800 -0.343 0.000 2.258 385 G HA2 -0.317 -0.852 3.960 -7.491 0.000 0.274 385 G HA3 -0.317 -0.852 3.960 -7.491 0.000 0.274 385 G C -0.222 174.423 174.900 -0.424 0.000 1.021 385 G CA 1.125 46.019 45.100 -0.344 0.000 0.798 385 G HN 0.687 nan 8.290 nan 0.000 0.507 386 Q N -0.629 118.814 119.800 -0.594 0.000 2.389 386 Q HA 0.434 0.279 4.340 -7.491 0.000 0.277 386 Q C -1.292 174.589 176.000 -0.199 0.000 1.082 386 Q CA -1.128 54.517 55.803 -0.264 0.000 0.810 386 Q CB 1.621 30.262 28.738 -0.160 0.000 1.374 386 Q HN 0.174 nan 8.270 nan 0.000 0.422 387 D N 2.226 122.611 120.400 -0.025 0.000 2.389 387 D HA 0.079 0.224 4.640 -7.491 0.000 0.247 387 D C -0.746 175.540 176.300 -0.023 0.000 1.128 387 D CA 0.460 54.475 54.000 0.026 0.000 0.884 387 D CB 0.804 41.629 40.800 0.041 0.000 1.194 387 D HN 0.269 nan 8.370 nan 0.000 0.441 388 Q N 1.557 121.344 119.800 -0.022 0.000 2.274 388 Q HA 0.370 0.215 4.340 -7.491 0.000 0.268 388 Q C -1.469 174.498 176.000 -0.055 0.000 1.015 388 Q CA -0.767 55.011 55.803 -0.042 0.000 0.775 388 Q CB 1.590 30.302 28.738 -0.044 0.000 1.256 388 Q HN 0.194 nan 8.270 nan 0.000 0.442 389 V N 3.908 123.776 119.914 -0.076 0.000 2.572 389 V HA 0.086 -0.289 4.120 -7.491 0.000 0.291 389 V C 0.008 176.033 176.094 -0.115 0.000 1.039 389 V CA -0.105 62.126 62.300 -0.116 0.000 1.055 389 V CB 1.302 33.046 31.823 -0.131 0.000 0.969 389 V HN 0.591 nan 8.190 nan 0.000 0.482 390 V N 8.852 128.681 119.914 -0.142 0.000 2.389 390 V HA 0.205 -0.170 4.120 -7.491 0.000 0.264 390 V C -2.046 173.964 176.094 -0.140 0.000 1.049 390 V CA -1.625 60.603 62.300 -0.120 0.000 0.932 390 V CB 1.096 32.852 31.823 -0.111 0.000 1.011 390 V HN 0.800 nan 8.190 nan 0.000 0.475 391 P HA 0.196 nan 4.420 nan 0.000 0.263 391 P C 0.938 178.203 177.300 -0.059 0.000 1.195 391 P CA 1.099 64.154 63.100 -0.074 0.000 0.762 391 P CB 0.539 32.213 31.700 -0.043 0.000 0.799 392 G N 1.891 110.666 108.800 -0.042 0.000 2.143 392 G HA2 -0.233 -0.768 3.960 -7.491 0.000 0.249 392 G HA3 -0.233 -0.768 3.960 -7.491 0.000 0.249 392 G C -0.401 174.516 174.900 0.028 0.000 0.981 392 G CA -0.218 44.895 45.100 0.022 0.000 0.665 392 G HN 0.561 nan 8.290 nan 0.000 0.528 393 L N 0.356 121.533 121.223 -0.077 0.000 2.376 393 L HA 0.861 0.706 4.340 -7.491 0.000 0.275 393 L C -0.798 175.948 176.870 -0.205 0.000 0.987 393 L CA -1.681 53.116 54.840 -0.071 0.000 0.828 393 L CB 1.169 43.172 42.059 -0.093 0.000 1.249 393 L HN 0.109 nan 8.230 nan 0.000 0.409 394 Y N 2.974 123.211 120.300 -0.105 0.000 2.598 394 Y HA 0.898 0.954 4.550 -7.491 0.000 0.340 394 Y C 0.045 175.880 175.900 -0.108 0.000 1.038 394 Y CA -0.529 57.502 58.100 -0.115 0.000 1.100 394 Y CB 2.324 40.709 38.460 -0.125 0.000 1.281 394 Y HN 0.694 nan 8.280 nan 0.000 0.488 395 A N 0.611 123.459 122.820 0.047 0.000 2.572 395 A HA 0.877 0.702 4.320 -7.491 0.000 0.295 395 A C -1.285 176.292 177.584 -0.012 0.000 1.072 395 A CA -0.582 51.450 52.037 -0.008 0.000 0.691 395 A CB 0.675 19.642 19.000 -0.055 0.000 1.291 395 A HN 1.132 nan 8.150 nan 0.000 0.404 396 C N -0.718 118.582 119.300 -0.000 0.000 3.288 396 C HA 1.017 0.982 4.460 -7.491 0.000 0.318 396 C C 0.685 175.712 174.990 0.061 0.000 1.356 396 C CA -0.091 58.947 59.018 0.034 0.000 1.359 396 C CB 0.901 28.704 27.740 0.105 0.000 1.688 396 C HN 3.047 nan 8.230 nan 0.000 0.467 397 G N 0.566 109.442 108.800 0.126 0.000 2.693 397 G HA2 -0.154 -0.689 3.960 -7.491 0.000 0.226 397 G HA3 -0.154 -0.689 3.960 -7.491 0.000 0.226 397 G C 0.435 175.413 174.900 0.130 0.000 1.354 397 G CA 0.747 45.943 45.100 0.160 0.000 0.873 397 G HN 1.405 nan 8.290 nan 0.000 0.562 398 E N -0.303 119.968 120.200 0.117 0.000 2.187 398 E HA -0.173 -0.317 4.350 -7.491 0.000 0.199 398 E C 2.843 179.388 176.600 -0.091 0.000 1.004 398 E CA 2.294 58.653 56.400 -0.069 0.000 0.813 398 E CB -0.401 29.190 29.700 -0.182 0.000 0.736 398 E HN 1.068 nan 8.360 nan 0.000 0.468 399 A N 0.995 123.797 122.820 -0.029 0.000 1.902 399 A HA 0.019 -0.156 4.320 -7.491 0.000 0.217 399 A C 1.468 179.036 177.584 -0.026 0.000 1.181 399 A CA 1.301 53.327 52.037 -0.019 0.000 0.623 399 A CB -0.553 18.435 19.000 -0.021 0.000 0.818 399 A HN 0.390 nan 8.150 nan 0.000 0.443 400 A N -1.979 120.824 122.820 -0.028 0.000 2.267 400 A HA 0.462 0.287 4.320 -7.491 0.000 0.271 400 A C 0.132 177.680 177.584 -0.059 0.000 1.131 400 A CA 0.388 52.388 52.037 -0.062 0.000 0.818 400 A CB 0.140 19.085 19.000 -0.092 0.000 1.118 400 A HN 1.033 nan 8.150 nan 0.000 0.501 401 C N -0.403 118.833 119.300 -0.108 0.000 3.171 401 C HA 0.582 0.547 4.460 -7.491 0.000 0.336 401 C C 1.004 175.874 174.990 -0.199 0.000 1.035 401 C CA -0.083 58.869 59.018 -0.110 0.000 1.361 401 C CB -0.354 27.339 27.740 -0.078 0.000 1.804 401 C HN 1.090 nan 8.230 nan 0.000 0.535 402 A N 2.416 125.077 122.820 -0.264 0.000 2.238 402 A HA 0.295 0.120 4.320 -7.491 0.000 0.208 402 A C 1.270 178.720 177.584 -0.223 0.000 1.177 402 A CA 0.993 52.847 52.037 -0.305 0.000 0.804 402 A CB -0.288 18.404 19.000 -0.513 0.000 0.823 402 A HN 1.637 nan 8.150 nan 0.000 0.482 403 S N -1.054 114.540 115.700 -0.177 0.000 3.231 403 S HA -0.144 -0.169 4.470 -7.491 0.000 0.334 403 S C 0.920 175.459 174.600 -0.102 0.000 0.910 403 S CA 0.541 58.691 58.200 -0.082 0.000 1.342 403 S CB -1.111 62.118 63.200 0.047 0.000 0.950 403 S HN 0.887 nan 8.310 nan 0.000 0.526 404 V N 3.318 123.092 119.914 -0.233 0.000 2.951 404 V HA -0.007 -0.382 4.120 -7.491 0.000 0.255 404 V C 1.723 177.622 176.094 -0.325 0.000 1.088 404 V CA 1.540 63.680 62.300 -0.268 0.000 1.109 404 V CB -0.141 31.530 31.823 -0.253 0.000 0.724 404 V HN 0.898 nan 8.190 nan 0.000 0.471 405 H N -0.509 118.581 119.070 0.034 0.000 2.595 405 H HA 0.367 0.427 4.556 -7.494 0.000 0.265 405 H C 1.690 177.005 175.328 -0.021 0.000 0.953 405 H CA 0.652 56.710 56.048 0.017 0.000 1.197 405 H CB 0.135 29.954 29.762 0.096 0.000 1.438 405 H HN 0.475 nan 8.280 nan 0.000 0.531 406 G N 1.475 110.298 108.800 0.039 0.000 2.629 406 G HA2 -0.425 -0.959 3.960 -7.491 0.000 0.313 406 G HA3 -0.425 -0.959 3.960 -7.491 0.000 0.313 406 G C 1.332 176.132 174.900 -0.166 0.000 1.217 406 G CA 1.557 46.614 45.100 -0.071 0.000 0.994 406 G HN 0.600 nan 8.290 nan 0.000 0.549 407 A N 0.360 123.083 122.820 -0.162 0.000 2.218 407 A HA 0.466 0.292 4.320 -7.491 0.000 0.209 407 A C 0.922 178.628 177.584 0.204 0.000 1.168 407 A CA 1.566 53.573 52.037 -0.049 0.000 0.804 407 A CB -0.174 18.886 19.000 0.100 0.000 0.834 407 A HN 1.355 nan 8.150 nan 0.000 0.482 408 N N -0.257 118.514 118.700 0.119 0.000 2.777 408 N HA 0.061 0.306 4.740 -7.491 0.000 0.260 408 N C -1.361 174.194 175.510 0.074 0.000 1.113 408 N CA -0.420 52.700 53.050 0.118 0.000 0.996 408 N CB 1.035 39.575 38.487 0.088 0.000 1.584 408 N HN 0.269 nan 8.380 nan 0.000 0.573 409 R N 2.698 123.232 120.500 0.056 0.000 2.543 409 R HA 0.233 0.078 4.340 -7.491 0.000 0.277 409 R C -0.262 175.996 176.300 -0.071 0.000 1.074 409 R CA -0.280 55.780 56.100 -0.066 0.000 1.076 409 R CB 0.591 30.623 30.300 -0.448 0.000 0.993 409 R HN 0.405 nan 8.270 nan 0.000 0.459 410 L N 2.215 123.423 121.223 -0.025 0.000 2.418 410 L HA 0.282 0.127 4.340 -7.491 0.000 0.265 410 L C 0.756 177.635 176.870 0.015 0.000 1.143 410 L CA 0.484 55.326 54.840 0.002 0.000 0.809 410 L CB 1.253 43.352 42.059 0.065 0.000 1.124 410 L HN 0.768 nan 8.230 nan 0.000 0.456 411 G N 1.980 110.854 108.800 0.124 0.000 2.365 411 G HA2 0.421 -0.114 3.960 -7.491 0.000 0.249 411 G HA3 0.421 -0.114 3.960 -7.491 0.000 0.249 411 G C 0.609 175.598 174.900 0.148 0.000 1.288 411 G CA 0.327 45.626 45.100 0.332 0.000 0.887 411 G HN 1.370 nan 8.290 nan 0.000 0.524 412 A N 2.081 124.883 122.820 -0.029 0.000 3.201 412 A HA -0.191 -0.365 4.320 -7.491 0.000 0.260 412 A C 1.725 179.279 177.584 -0.050 0.000 1.222 412 A CA 1.317 53.233 52.037 -0.201 0.000 1.124 412 A CB -1.771 16.891 19.000 -0.564 0.000 1.155 412 A HN 0.621 nan 8.150 nan 0.000 0.924 413 N N -0.582 118.121 118.700 0.006 0.000 2.405 413 N HA 0.083 0.328 4.740 -7.491 0.000 0.175 413 N C 1.731 177.317 175.510 0.127 0.000 1.051 413 N CA 1.240 54.356 53.050 0.110 0.000 0.899 413 N CB -0.007 38.594 38.487 0.191 0.000 1.000 413 N HN 0.592 nan 8.380 nan 0.000 0.451 414 S N 0.353 116.012 115.700 -0.069 0.000 2.371 414 S HA 0.134 0.109 4.470 -7.491 0.000 0.224 414 S C 1.861 176.521 174.600 0.101 0.000 1.029 414 S CA 0.480 58.670 58.200 -0.016 0.000 0.978 414 S CB -0.130 62.942 63.200 -0.213 0.000 0.833 414 S HN 0.204 nan 8.310 nan 0.000 0.466 415 L N 0.913 122.171 121.223 0.057 0.000 2.079 415 L HA -0.127 -0.282 4.340 -7.491 0.000 0.210 415 L C 2.412 179.336 176.870 0.091 0.000 1.081 415 L CA 0.878 55.763 54.840 0.074 0.000 0.752 415 L CB -0.495 41.595 42.059 0.051 0.000 0.896 415 L HN 0.361 nan 8.230 nan 0.000 0.433 416 L N 0.258 121.536 121.223 0.092 0.000 2.005 416 L HA -0.243 -0.398 4.340 -7.491 0.000 0.207 416 L C 2.255 179.188 176.870 0.106 0.000 1.072 416 L CA 1.997 56.890 54.840 0.089 0.000 0.744 416 L CB -0.807 41.319 42.059 0.111 0.000 0.895 416 L HN 0.235 nan 8.230 nan 0.000 0.433 417 D N -0.497 120.030 120.400 0.212 0.000 2.157 417 D HA -0.261 -0.116 4.640 -7.491 0.000 0.191 417 D C 2.139 178.622 176.300 0.306 0.000 1.004 417 D CA 1.852 56.066 54.000 0.356 0.000 0.854 417 D CB -0.156 40.947 40.800 0.505 0.000 0.936 417 D HN 0.259 nan 8.370 nan 0.000 0.446 418 L N 0.116 121.468 121.223 0.215 0.000 1.989 418 L HA -0.161 -0.315 4.340 -7.491 0.000 0.211 418 L C 2.765 179.698 176.870 0.104 0.000 1.071 418 L CA 1.137 56.075 54.840 0.163 0.000 0.749 418 L CB -0.970 41.166 42.059 0.127 0.000 0.890 418 L HN 0.037 nan 8.230 nan 0.000 0.431 419 V N -1.760 118.194 119.914 0.066 0.000 2.667 419 V HA -0.157 -0.532 4.120 -7.491 0.000 0.252 419 V C 2.259 178.329 176.094 -0.041 0.000 1.065 419 V CA 0.955 63.270 62.300 0.025 0.000 1.083 419 V CB -0.206 31.641 31.823 0.040 0.000 0.692 419 V HN 0.241 nan 8.190 nan 0.000 0.468 420 V N -0.955 118.894 119.914 -0.108 0.000 2.446 420 V HA -0.072 -0.447 4.120 -7.491 0.000 0.244 420 V C 2.035 177.970 176.094 -0.265 0.000 1.039 420 V CA 1.814 63.949 62.300 -0.274 0.000 1.045 420 V CB -0.552 30.976 31.823 -0.492 0.000 0.681 420 V HN 0.469 nan 8.190 nan 0.000 0.459 421 F N 0.945 120.948 119.950 0.089 0.000 2.473 421 F HA 0.182 0.216 4.527 -7.489 0.000 0.294 421 F C 2.386 178.181 175.800 -0.008 0.000 1.103 421 F CA 0.851 58.883 58.000 0.053 0.000 1.442 421 F CB -0.709 38.319 39.000 0.047 0.000 1.097 421 F HN 0.200 nan 8.300 nan 0.000 0.547 422 G N 0.346 109.212 108.800 0.110 0.000 2.418 422 G HA2 -0.274 -0.809 3.960 -7.491 0.000 0.217 422 G HA3 -0.274 -0.809 3.960 -7.491 0.000 0.217 422 G C 1.726 176.574 174.900 -0.086 0.000 1.158 422 G CA 0.690 45.781 45.100 -0.016 0.000 0.771 422 G HN 0.220 nan 8.290 nan 0.000 0.545 423 R N 0.502 120.959 120.500 -0.071 0.000 2.081 423 R HA -0.003 -0.158 4.340 -7.491 0.000 0.235 423 R C 2.879 179.152 176.300 -0.045 0.000 1.131 423 R CA 1.487 57.537 56.100 -0.082 0.000 0.960 423 R CB -0.376 29.890 30.300 -0.057 0.000 0.856 423 R HN 0.299 nan 8.270 nan 0.000 0.436 424 A N 0.417 123.253 122.820 0.026 0.000 1.877 424 A HA -0.189 -0.364 4.320 -7.491 0.000 0.216 424 A C 2.495 180.047 177.584 -0.054 0.000 1.186 424 A CA 1.610 53.667 52.037 0.034 0.000 0.620 424 A CB -1.005 18.059 19.000 0.106 0.000 0.822 424 A HN 0.594 nan 8.150 nan 0.000 0.443 425 C N -0.952 118.309 119.300 -0.066 0.000 2.413 425 C HA -0.015 -0.050 4.460 -7.491 0.000 0.276 425 C C 3.317 178.035 174.990 -0.454 0.000 1.248 425 C CA 0.847 59.714 59.018 -0.252 0.000 1.742 425 C CB -1.452 26.162 27.740 -0.211 0.000 2.017 425 C HN 0.702 nan 8.230 nan 0.000 0.481 426 A N 0.303 122.934 122.820 -0.315 0.000 1.877 426 A HA -0.127 -0.302 4.320 -7.491 0.000 0.216 426 A C 2.112 179.543 177.584 -0.256 0.000 1.186 426 A CA 1.612 53.458 52.037 -0.320 0.000 0.620 426 A CB -0.615 18.238 19.000 -0.245 0.000 0.822 426 A HN 0.611 nan 8.150 nan 0.000 0.443 427 L N -0.508 120.622 121.223 -0.155 0.000 2.056 427 L HA -0.149 -0.304 4.340 -7.491 0.000 0.207 427 L C 2.884 179.696 176.870 -0.096 0.000 1.078 427 L CA 1.401 56.191 54.840 -0.084 0.000 0.749 427 L CB -0.501 41.544 42.059 -0.023 0.000 0.901 427 L HN 0.324 nan 8.230 nan 0.000 0.433 428 S N 0.278 115.906 115.700 -0.120 0.000 2.374 428 S HA -0.188 -0.213 4.470 -7.491 0.000 0.227 428 S C 1.941 176.483 174.600 -0.097 0.000 1.037 428 S CA 1.523 59.685 58.200 -0.062 0.000 1.024 428 S CB -0.358 62.898 63.200 0.093 0.000 0.861 428 S HN 0.276 nan 8.310 nan 0.000 0.456 429 I N 1.742 122.120 120.570 -0.321 0.000 2.163 429 I HA -0.175 -0.499 4.170 -7.491 0.000 0.240 429 I C 2.649 178.620 176.117 -0.244 0.000 1.081 429 I CA 1.176 62.239 61.300 -0.394 0.000 1.353 429 I CB -0.517 37.038 38.000 -0.742 0.000 1.054 429 I HN 0.260 nan 8.210 nan 0.000 0.407 430 A N -0.492 122.216 122.820 -0.186 0.000 2.131 430 A HA -0.227 -0.402 4.320 -7.491 0.000 0.220 430 A C 2.239 179.901 177.584 0.130 0.000 1.158 430 A CA 1.720 53.853 52.037 0.160 0.000 0.665 430 A CB -0.531 18.569 19.000 0.166 0.000 0.795 430 A HN 0.536 nan 8.150 nan 0.000 0.460 431 E N -0.893 119.334 120.200 0.046 0.000 2.447 431 E HA -0.018 -0.163 4.350 -7.491 0.000 0.204 431 E C 1.819 178.447 176.600 0.047 0.000 0.977 431 E CA 0.684 57.111 56.400 0.045 0.000 0.950 431 E CB 0.243 29.955 29.700 0.020 0.000 0.975 431 E HN 0.690 nan 8.360 nan 0.000 0.496 432 S N -0.820 114.908 115.700 0.047 0.000 2.497 432 S HA 0.079 0.054 4.470 -7.491 0.000 0.218 432 S C 0.727 175.371 174.600 0.073 0.000 1.023 432 S CA 0.054 58.284 58.200 0.050 0.000 0.913 432 S CB -0.022 63.207 63.200 0.048 0.000 0.800 432 S HN 0.377 nan 8.310 nan 0.000 0.505 433 C N 0.095 119.467 119.300 0.120 0.000 3.336 433 C HA 0.837 0.802 4.460 -7.491 0.000 0.339 433 C C -1.245 173.908 174.990 0.271 0.000 1.468 433 C CA -1.177 57.937 59.018 0.160 0.000 1.287 433 C CB 1.120 28.950 27.740 0.150 0.000 1.682 433 C HN 0.320 nan 8.230 nan 0.000 0.451 434 R N 0.521 121.128 120.500 0.178 0.000 2.711 434 R HA 0.623 0.468 4.340 -7.491 0.000 0.284 434 R C -2.993 173.235 176.300 -0.121 0.000 0.968 434 R CA -1.833 54.274 56.100 0.011 0.000 0.924 434 R CB 1.266 31.546 30.300 -0.034 0.000 1.162 434 R HN 0.534 nan 8.270 nan 0.000 0.465 435 P HA 0.052 nan 4.420 nan 0.000 0.265 435 P C 0.708 177.904 177.300 -0.174 0.000 1.193 435 P CA 0.835 63.629 63.100 -0.510 0.000 0.765 435 P CB 0.509 31.776 31.700 -0.722 0.000 0.823 436 G N 1.562 110.329 108.800 -0.055 0.000 2.194 436 G HA2 -0.183 -0.718 3.960 -7.491 0.000 0.236 436 G HA3 -0.183 -0.718 3.960 -7.491 0.000 0.236 436 G C 0.013 174.914 174.900 0.002 0.000 0.987 436 G CA -0.329 44.755 45.100 -0.027 0.000 0.635 436 G HN 0.492 nan 8.290 nan 0.000 0.520 437 D N 0.686 121.101 120.400 0.025 0.000 2.400 437 D HA 0.379 0.525 4.640 -7.491 0.000 0.238 437 D C 0.939 177.263 176.300 0.040 0.000 1.157 437 D CA -0.005 54.017 54.000 0.037 0.000 0.889 437 D CB 0.515 41.352 40.800 0.062 0.000 1.199 437 D HN 0.243 nan 8.370 nan 0.000 0.436 438 K N 1.018 121.436 120.400 0.030 0.000 2.321 438 K HA -0.014 -0.189 4.320 -7.491 0.000 0.266 438 K C -1.127 175.494 176.600 0.035 0.000 1.215 438 K CA 0.152 56.455 56.287 0.026 0.000 1.225 438 K CB -0.530 31.982 32.500 0.020 0.000 0.827 438 K HN 0.123 nan 8.250 nan 0.000 0.478 439 V N 8.640 128.575 119.914 0.035 0.000 2.439 439 V HA 0.150 -0.225 4.120 -7.491 0.000 0.271 439 V C -1.840 174.273 176.094 0.031 0.000 1.040 439 V CA -1.501 60.825 62.300 0.042 0.000 1.002 439 V CB 0.454 32.305 31.823 0.047 0.000 1.000 439 V HN 0.766 nan 8.190 nan 0.000 0.477 440 P HA 0.217 nan 4.420 nan 0.000 0.275 440 P C -0.454 176.858 177.300 0.020 0.000 1.227 440 P CA -0.221 62.892 63.100 0.022 0.000 0.781 440 P CB 0.642 32.354 31.700 0.020 0.000 0.906 441 S N 2.771 118.480 115.700 0.015 0.000 2.438 441 S HA 0.438 0.413 4.470 -7.491 0.000 0.293 441 S C 0.009 174.615 174.600 0.011 0.000 1.141 441 S CA -0.742 57.466 58.200 0.013 0.000 1.080 441 S CB 0.106 63.312 63.200 0.010 0.000 0.978 441 S HN 0.310 nan 8.310 nan 0.000 0.479 442 I N 2.768 123.346 120.570 0.013 0.000 2.720 442 I HA 0.267 -0.058 4.170 -7.491 0.000 0.287 442 I C 0.364 176.486 176.117 0.009 0.000 1.090 442 I CA -0.585 60.721 61.300 0.011 0.000 1.384 442 I CB 0.576 38.584 38.000 0.014 0.000 1.420 442 I HN 0.711 nan 8.210 nan 0.000 0.575 443 K N 8.190 128.594 120.400 0.006 0.000 2.485 443 K HA 0.058 -0.117 4.320 -7.491 0.000 0.277 443 K C -1.642 174.961 176.600 0.006 0.000 0.990 443 K CA -0.819 55.471 56.287 0.005 0.000 0.994 443 K CB -0.215 32.287 32.500 0.002 0.000 0.906 443 K HN 0.481 nan 8.250 nan 0.000 0.488 444 P HA -0.203 nan 4.420 nan 0.000 0.220 444 P C -0.008 177.296 177.300 0.007 0.000 1.144 444 P CA 1.457 64.561 63.100 0.006 0.000 0.800 444 P CB 0.028 31.731 31.700 0.005 0.000 0.772 445 N N -1.025 117.678 118.700 0.006 0.000 2.238 445 N HA 0.249 0.494 4.740 -7.491 0.000 0.222 445 N C 0.313 175.825 175.510 0.004 0.000 1.133 445 N CA -0.307 52.746 53.050 0.006 0.000 0.854 445 N CB 0.453 38.943 38.487 0.004 0.000 1.041 445 N HN -0.036 nan 8.380 nan 0.000 0.510 446 A N 0.610 123.433 122.820 0.005 0.000 2.445 446 A HA 0.499 0.324 4.320 -7.491 0.000 0.242 446 A C 1.468 179.054 177.584 0.003 0.000 1.075 446 A CA 0.592 52.632 52.037 0.004 0.000 0.777 446 A CB -0.274 18.729 19.000 0.006 0.000 1.013 446 A HN 0.477 nan 8.150 nan 0.000 0.493 447 G N 0.860 109.659 108.800 -0.001 0.000 2.155 447 G HA2 -0.304 -0.839 3.960 -7.491 0.000 0.257 447 G HA3 -0.304 -0.839 3.960 -7.491 0.000 0.257 447 G C 0.745 175.637 174.900 -0.014 0.000 0.983 447 G CA 0.972 46.069 45.100 -0.005 0.000 0.676 447 G HN 0.956 nan 8.290 nan 0.000 0.528 448 E N 0.057 120.250 120.200 -0.011 0.000 2.049 448 E HA -0.195 -0.340 4.350 -7.491 0.000 0.198 448 E C 2.220 178.805 176.600 -0.024 0.000 1.007 448 E CA 1.696 58.088 56.400 -0.014 0.000 0.809 448 E CB -0.118 29.579 29.700 -0.006 0.000 0.749 448 E HN 0.777 nan 8.360 nan 0.000 0.450 449 E N -0.306 119.883 120.200 -0.019 0.000 2.208 449 E HA -0.088 -0.233 4.350 -7.491 0.000 0.193 449 E C 2.156 178.738 176.600 -0.030 0.000 0.988 449 E CA 0.729 57.117 56.400 -0.020 0.000 0.828 449 E CB 0.112 29.805 29.700 -0.011 0.000 0.763 449 E HN 0.109 nan 8.360 nan 0.000 0.478 450 S N 0.613 116.293 115.700 -0.032 0.000 2.383 450 S HA -0.108 -0.133 4.470 -7.491 0.000 0.227 450 S C 2.231 176.781 174.600 -0.083 0.000 1.026 450 S CA 0.769 58.947 58.200 -0.037 0.000 0.981 450 S CB -0.051 63.137 63.200 -0.020 0.000 0.818 450 S HN 0.069 nan 8.310 nan 0.000 0.472 451 V N 1.970 121.814 119.914 -0.117 0.000 2.270 451 V HA -0.192 -0.567 4.120 -7.491 0.000 0.245 451 V C 2.266 178.246 176.094 -0.189 0.000 1.043 451 V CA 1.770 63.930 62.300 -0.232 0.000 1.014 451 V CB -0.695 30.990 31.823 -0.229 0.000 0.645 451 V HN 0.411 nan 8.190 nan 0.000 0.447 452 M N 0.409 119.955 119.600 -0.090 0.000 2.082 452 M HA -0.246 -0.261 4.480 -7.491 0.000 0.258 452 M C 2.298 178.578 176.300 -0.034 0.000 1.069 452 M CA 2.269 57.547 55.300 -0.038 0.000 1.102 452 M CB -0.773 31.817 32.600 -0.017 0.000 1.336 452 M HN 0.493 nan 8.290 nan 0.000 0.404 453 N N 0.770 119.444 118.700 -0.045 0.000 2.043 453 N HA -0.204 0.042 4.740 -7.491 0.000 0.193 453 N C 1.802 177.280 175.510 -0.053 0.000 1.037 453 N CA 1.380 54.407 53.050 -0.039 0.000 0.851 453 N CB -0.208 38.259 38.487 -0.033 0.000 1.027 453 N HN 0.264 nan 8.380 nan 0.000 0.422 454 L N 1.953 123.118 121.223 -0.097 0.000 1.997 454 L HA -0.235 -0.390 4.340 -7.491 0.000 0.216 454 L C 1.976 178.804 176.870 -0.070 0.000 1.074 454 L CA 2.179 56.941 54.840 -0.131 0.000 0.763 454 L CB -1.632 40.276 42.059 -0.252 0.000 0.890 454 L HN 0.239 nan 8.230 nan 0.000 0.434 455 D N -0.765 119.616 120.400 -0.031 0.000 2.178 455 D HA -0.208 -0.063 4.640 -7.491 0.000 0.202 455 D C 2.278 178.711 176.300 0.222 0.000 0.974 455 D CA 1.156 55.263 54.000 0.178 0.000 0.841 455 D CB 0.119 41.060 40.800 0.234 0.000 0.953 455 D HN 0.240 nan 8.370 nan 0.000 0.478 456 K N -0.786 119.676 120.400 0.104 0.000 2.155 456 K HA -0.039 -0.214 4.320 -7.491 0.000 0.203 456 K C 1.705 178.344 176.600 0.064 0.000 1.052 456 K CA 0.390 56.730 56.287 0.090 0.000 0.948 456 K CB 0.077 32.595 32.500 0.030 0.000 0.728 456 K HN 0.084 nan 8.250 nan 0.000 0.448 457 L N 0.926 122.158 121.223 0.016 0.000 2.131 457 L HA 0.002 -0.153 4.340 -7.491 0.000 0.206 457 L C 2.257 179.105 176.870 -0.036 0.000 1.087 457 L CA 1.407 56.236 54.840 -0.018 0.000 0.767 457 L CB -0.535 41.493 42.059 -0.051 0.000 0.917 457 L HN 0.107 nan 8.230 nan 0.000 0.441 458 R N -1.393 119.069 120.500 -0.064 0.000 2.092 458 R HA -0.127 -0.282 4.340 -7.491 0.000 0.231 458 R C 1.638 177.756 176.300 -0.303 0.000 1.119 458 R CA 1.395 57.372 56.100 -0.205 0.000 0.970 458 R CB -0.096 30.038 30.300 -0.277 0.000 0.864 458 R HN 0.278 nan 8.270 nan 0.000 0.440 459 F N 0.446 120.401 119.950 0.009 0.000 2.695 459 F HA 0.352 0.384 4.527 -7.492 0.000 0.303 459 F C 0.712 176.494 175.800 -0.030 0.000 1.091 459 F CA -0.462 57.534 58.000 -0.007 0.000 1.300 459 F CB 0.436 39.437 39.000 0.002 0.000 1.071 459 F HN -0.021 nan 8.300 nan 0.000 0.578 460 A N 1.234 124.111 122.820 0.094 0.000 2.573 460 A HA -0.110 -0.285 4.320 -7.491 0.000 0.250 460 A C 0.545 178.127 177.584 -0.003 0.000 1.049 460 A CA 0.509 52.569 52.037 0.039 0.000 0.767 460 A CB -0.504 18.502 19.000 0.011 0.000 0.965 460 A HN 0.583 nan 8.150 nan 0.000 0.514 461 N N 1.894 120.591 118.700 -0.005 0.000 2.480 461 N HA 0.319 0.564 4.740 -7.491 0.000 0.281 461 N C 0.945 176.437 175.510 -0.031 0.000 1.381 461 N CA 0.282 53.304 53.050 -0.048 0.000 0.903 461 N CB 0.231 38.699 38.487 -0.032 0.000 1.274 461 N HN 0.776 nan 8.380 nan 0.000 0.505 462 G N -0.910 107.887 108.800 -0.006 0.000 2.803 462 G HA2 -0.028 -0.563 3.960 -7.491 0.000 0.177 462 G HA3 -0.028 -0.563 3.960 -7.491 0.000 0.177 462 G C 0.631 175.553 174.900 0.037 0.000 1.629 462 G CA 0.543 45.668 45.100 0.042 0.000 1.077 462 G HN 0.213 nan 8.290 nan 0.000 0.556 463 T N -0.555 114.040 114.554 0.067 0.000 2.987 463 T HA 0.313 0.168 4.350 -7.491 0.000 0.248 463 T C 0.452 175.177 174.700 0.042 0.000 0.997 463 T CA 0.029 62.148 62.100 0.031 0.000 1.013 463 T CB 0.118 68.970 68.868 -0.028 0.000 1.077 463 T HN 0.150 nan 8.240 nan 0.000 0.483 464 I N 2.094 122.703 120.570 0.066 0.000 2.418 464 I HA 0.405 0.080 4.170 -7.491 0.000 0.287 464 I C 0.063 176.234 176.117 0.089 0.000 1.008 464 I CA -0.889 60.452 61.300 0.069 0.000 1.104 464 I CB 1.812 39.846 38.000 0.058 0.000 1.264 464 I HN -0.058 nan 8.210 nan 0.000 0.438 465 R N 3.714 124.283 120.500 0.115 0.000 2.643 465 R HA 0.113 -0.041 4.340 -7.491 0.000 0.270 465 R C 0.740 177.097 176.300 0.094 0.000 1.061 465 R CA 0.134 56.323 56.100 0.149 0.000 1.107 465 R CB 0.869 31.267 30.300 0.163 0.000 0.999 465 R HN 0.751 nan 8.270 nan 0.000 0.460 466 T N 1.469 116.078 114.554 0.091 0.000 2.624 466 T HA -0.256 -0.401 4.350 -7.491 0.000 0.268 466 T C 1.797 176.529 174.700 0.053 0.000 1.041 466 T CA 2.308 64.443 62.100 0.058 0.000 1.159 466 T CB -0.309 68.589 68.868 0.050 0.000 0.863 466 T HN 0.829 nan 8.240 nan 0.000 0.434 467 S N 1.396 117.127 115.700 0.052 0.000 2.399 467 S HA -0.102 -0.127 4.470 -7.491 0.000 0.231 467 S C 1.886 176.518 174.600 0.053 0.000 1.022 467 S CA 1.105 59.337 58.200 0.052 0.000 0.983 467 S CB -0.401 62.822 63.200 0.039 0.000 0.803 467 S HN 0.592 nan 8.310 nan 0.000 0.480 468 E N 0.440 120.668 120.200 0.048 0.000 2.107 468 E HA 0.001 -0.144 4.350 -7.491 0.000 0.191 468 E C 1.931 178.553 176.600 0.037 0.000 0.982 468 E CA 0.934 57.358 56.400 0.040 0.000 0.809 468 E CB -0.224 29.499 29.700 0.039 0.000 0.756 468 E HN 0.408 nan 8.360 nan 0.000 0.459 469 L N 1.225 122.472 121.223 0.040 0.000 2.217 469 L HA -0.076 -0.231 4.340 -7.491 0.000 0.211 469 L C 2.228 179.121 176.870 0.038 0.000 1.107 469 L CA 1.386 56.246 54.840 0.035 0.000 0.783 469 L CB -0.259 41.818 42.059 0.030 0.000 0.919 469 L HN -0.064 nan 8.230 nan 0.000 0.442 470 R N -0.869 119.660 120.500 0.049 0.000 2.070 470 R HA -0.179 -0.334 4.340 -7.491 0.000 0.232 470 R C 2.255 178.597 176.300 0.071 0.000 1.138 470 R CA 1.942 58.080 56.100 0.063 0.000 0.936 470 R CB -0.579 29.768 30.300 0.078 0.000 0.839 470 R HN 0.354 nan 8.270 nan 0.000 0.429 471 L N 0.935 122.201 121.223 0.073 0.000 2.127 471 L HA -0.140 -0.295 4.340 -7.491 0.000 0.211 471 L C 2.165 179.046 176.870 0.019 0.000 1.089 471 L CA 1.664 56.542 54.840 0.065 0.000 0.757 471 L CB -0.344 41.743 42.059 0.047 0.000 0.899 471 L HN 0.119 nan 8.230 nan 0.000 0.434 472 S N -0.755 114.955 115.700 0.017 0.000 2.353 472 S HA -0.265 -0.290 4.470 -7.491 0.000 0.222 472 S C 1.930 176.537 174.600 0.011 0.000 1.035 472 S CA 1.907 60.112 58.200 0.007 0.000 1.025 472 S CB -0.413 62.795 63.200 0.014 0.000 0.902 472 S HN 0.586 nan 8.310 nan 0.000 0.440 473 M N 1.255 120.867 119.600 0.021 0.000 2.086 473 M HA -0.216 -0.231 4.480 -7.491 0.000 0.261 473 M C 2.158 178.460 176.300 0.002 0.000 1.067 473 M CA 1.600 56.906 55.300 0.011 0.000 1.116 473 M CB -0.359 32.254 32.600 0.021 0.000 1.348 473 M HN 0.309 nan 8.290 nan 0.000 0.407 474 Q N 0.086 119.910 119.800 0.041 0.000 2.020 474 Q HA -0.177 -0.331 4.340 -7.491 0.000 0.202 474 Q C 2.048 178.117 176.000 0.115 0.000 0.982 474 Q CA 1.442 57.300 55.803 0.093 0.000 0.838 474 Q CB -0.123 28.739 28.738 0.207 0.000 0.899 474 Q HN 0.387 nan 8.270 nan 0.000 0.423 475 K N 0.143 120.572 120.400 0.049 0.000 2.211 475 K HA 0.007 -0.168 4.320 -7.491 0.000 0.203 475 K C 2.107 178.758 176.600 0.084 0.000 1.050 475 K CA 0.747 57.039 56.287 0.007 0.000 0.945 475 K CB -0.025 32.389 32.500 -0.143 0.000 0.732 475 K HN 0.061 nan 8.250 nan 0.000 0.451 476 S N 0.849 116.592 115.700 0.073 0.000 2.371 476 S HA -0.019 -0.044 4.470 -7.491 0.000 0.224 476 S C 1.894 176.588 174.600 0.158 0.000 1.029 476 S CA 0.864 59.136 58.200 0.119 0.000 0.978 476 S CB -0.006 63.193 63.200 -0.002 0.000 0.833 476 S HN 0.186 nan 8.310 nan 0.000 0.466 477 M N 1.044 120.658 119.600 0.023 0.000 2.175 477 M HA -0.000 -0.015 4.480 -7.491 0.000 0.264 477 M C 2.273 178.675 176.300 0.170 0.000 1.063 477 M CA 1.265 56.512 55.300 -0.089 0.000 1.119 477 M CB -1.254 31.000 32.600 -0.576 0.000 1.377 477 M HN 0.243 nan 8.290 nan 0.000 0.415 478 Q N 0.725 120.690 119.800 0.276 0.000 2.119 478 Q HA -0.082 -0.237 4.340 -7.491 0.000 0.201 478 Q C 1.939 178.110 176.000 0.284 0.000 0.972 478 Q CA 2.274 58.339 55.803 0.436 0.000 0.847 478 Q CB -0.137 28.843 28.738 0.404 0.000 0.903 478 Q HN 0.577 nan 8.270 nan 0.000 0.433 479 S N -2.025 113.789 115.700 0.190 0.000 2.501 479 S HA 0.022 -0.003 4.470 -7.491 0.000 0.220 479 S C 0.819 175.314 174.600 -0.175 0.000 0.997 479 S CA 0.572 58.775 58.200 0.005 0.000 0.919 479 S CB -0.132 63.022 63.200 -0.077 0.000 0.778 479 S HN 0.497 nan 8.310 nan 0.000 0.523 480 H N 0.596 119.729 119.070 0.105 0.000 2.986 480 H HA 0.631 0.690 4.556 -7.494 0.000 0.267 480 H C 0.803 176.200 175.328 0.114 0.000 1.072 480 H CA 0.372 56.468 56.048 0.080 0.000 1.202 480 H CB 0.823 30.608 29.762 0.038 0.000 1.535 480 H HN 0.479 nan 8.280 nan 0.000 0.522 481 A N 0.482 123.476 122.820 0.291 0.000 3.045 481 A HA 0.729 0.554 4.320 -7.491 0.000 0.244 481 A C 0.460 178.296 177.584 0.421 0.000 0.917 481 A CA 0.078 52.311 52.037 0.327 0.000 1.075 481 A CB -0.454 18.757 19.000 0.353 0.000 1.202 481 A HN 0.305 nan 8.150 nan 0.000 0.486 482 A N -0.452 122.518 122.820 0.250 0.000 2.529 482 A HA 0.643 0.468 4.320 -7.491 0.000 0.269 482 A C 1.615 179.021 177.584 -0.297 0.000 1.509 482 A CA 0.395 52.489 52.037 0.095 0.000 0.857 482 A CB -0.545 18.457 19.000 0.004 0.000 1.531 482 A HN 0.765 nan 8.150 nan 0.000 0.541 483 V N -1.132 118.232 119.914 -0.917 0.000 2.233 483 V HA -0.270 -0.645 4.120 -7.491 0.000 0.256 483 V C 0.847 176.560 176.094 -0.636 0.000 1.069 483 V CA 1.912 63.627 62.300 -0.974 0.000 1.054 483 V CB -1.161 30.112 31.823 -0.916 0.000 0.664 483 V HN 0.529 nan 8.190 nan 0.000 0.453 484 F N 0.653 120.459 119.950 -0.241 0.000 2.422 484 F HA 0.626 0.654 4.527 -7.498 0.000 0.333 484 F C 0.589 176.311 175.800 -0.130 0.000 1.095 484 F CA -0.780 57.118 58.000 -0.170 0.000 1.038 484 F CB 0.891 39.807 39.000 -0.140 0.000 1.156 484 F HN 0.126 nan 8.300 nan 0.000 0.483 485 R N 1.603 122.137 120.500 0.057 0.000 2.795 485 R HA 0.902 0.747 4.340 -7.491 0.000 0.275 485 R C -1.855 174.452 176.300 0.013 0.000 0.981 485 R CA -1.078 55.038 56.100 0.026 0.000 0.917 485 R CB 1.643 31.956 30.300 0.022 0.000 1.202 485 R HN 0.424 nan 8.270 nan 0.000 0.469 486 V N -0.947 118.982 119.914 0.025 0.000 2.823 486 V HA 0.473 0.099 4.120 -7.491 0.000 0.312 486 V C 1.423 177.548 176.094 0.052 0.000 1.072 486 V CA -0.491 61.822 62.300 0.022 0.000 0.937 486 V CB 1.534 33.351 31.823 -0.010 0.000 1.013 486 V HN 0.957 nan 8.190 nan 0.000 0.430 487 G N 2.189 111.034 108.800 0.077 0.000 2.599 487 G HA2 -0.323 -0.858 3.960 -7.491 0.000 0.219 487 G HA3 -0.323 -0.858 3.960 -7.491 0.000 0.219 487 G C 1.667 176.605 174.900 0.063 0.000 1.193 487 G CA 1.922 47.079 45.100 0.095 0.000 0.778 487 G HN 1.143 nan 8.290 nan 0.000 0.589 488 S N 0.111 115.840 115.700 0.048 0.000 2.356 488 S HA -0.117 -0.142 4.470 -7.491 0.000 0.223 488 S C 2.315 176.953 174.600 0.063 0.000 1.032 488 S CA 1.716 59.942 58.200 0.043 0.000 1.005 488 S CB -0.671 62.546 63.200 0.028 0.000 0.867 488 S HN 0.169 nan 8.310 nan 0.000 0.449 489 V N 2.378 122.334 119.914 0.070 0.000 2.343 489 V HA -0.131 -0.506 4.120 -7.491 0.000 0.247 489 V C 2.607 178.822 176.094 0.201 0.000 1.051 489 V CA 1.861 64.238 62.300 0.128 0.000 1.036 489 V CB -0.946 30.903 31.823 0.044 0.000 0.654 489 V HN 0.447 nan 8.190 nan 0.000 0.451 490 L N -0.678 120.611 121.223 0.109 0.000 2.046 490 L HA -0.258 -0.413 4.340 -7.491 0.000 0.208 490 L C 2.695 179.551 176.870 -0.023 0.000 1.077 490 L CA 1.746 56.623 54.840 0.063 0.000 0.747 490 L CB -0.638 41.451 42.059 0.049 0.000 0.896 490 L HN 0.353 nan 8.230 nan 0.000 0.432 491 Q N -0.419 119.373 119.800 -0.013 0.000 2.061 491 Q HA -0.280 -0.435 4.340 -7.491 0.000 0.204 491 Q C 2.236 178.195 176.000 -0.069 0.000 0.984 491 Q CA 1.867 57.638 55.803 -0.053 0.000 0.846 491 Q CB -0.145 28.590 28.738 -0.004 0.000 0.902 491 Q HN 0.466 nan 8.270 nan 0.000 0.421 492 E N -0.272 119.918 120.200 -0.016 0.000 2.077 492 E HA -0.170 -0.315 4.350 -7.491 0.000 0.193 492 E C 1.985 178.445 176.600 -0.234 0.000 0.989 492 E CA 1.045 57.415 56.400 -0.049 0.000 0.800 492 E CB -0.174 29.564 29.700 0.065 0.000 0.746 492 E HN 0.428 nan 8.360 nan 0.000 0.452 493 G N 0.760 109.390 108.800 -0.283 0.000 2.440 493 G HA2 -0.313 -0.848 3.960 -7.491 0.000 0.218 493 G HA3 -0.313 -0.848 3.960 -7.491 0.000 0.218 493 G C 1.741 176.466 174.900 -0.292 0.000 1.154 493 G CA 1.029 45.843 45.100 -0.477 0.000 0.767 493 G HN 0.373 nan 8.290 nan 0.000 0.552 494 C N 1.302 120.434 119.300 -0.281 0.000 2.455 494 C HA -0.044 -0.078 4.460 -7.491 0.000 0.281 494 C C 2.970 177.845 174.990 -0.192 0.000 1.237 494 C CA 1.314 60.075 59.018 -0.427 0.000 1.726 494 C CB -0.932 26.303 27.740 -0.841 0.000 2.068 494 C HN 0.792 nan 8.230 nan 0.000 0.466 495 E N 1.209 121.340 120.200 -0.115 0.000 2.209 495 E HA -0.278 -0.423 4.350 -7.491 0.000 0.196 495 E C 1.899 178.496 176.600 -0.006 0.000 0.993 495 E CA 1.244 57.646 56.400 0.004 0.000 0.819 495 E CB -0.383 29.323 29.700 0.010 0.000 0.745 495 E HN 0.614 nan 8.360 nan 0.000 0.477 496 K N 0.385 120.739 120.400 -0.077 0.000 2.057 496 K HA -0.088 -0.263 4.320 -7.491 0.000 0.206 496 K C 2.094 178.677 176.600 -0.028 0.000 1.050 496 K CA 1.053 57.293 56.287 -0.078 0.000 0.935 496 K CB 0.089 32.476 32.500 -0.189 0.000 0.715 496 K HN 0.117 nan 8.250 nan 0.000 0.439 497 I N 1.138 121.695 120.570 -0.022 0.000 2.286 497 I HA -0.215 -0.540 4.170 -7.491 0.000 0.245 497 I C 2.272 178.464 176.117 0.125 0.000 1.104 497 I CA 0.774 62.101 61.300 0.046 0.000 1.397 497 I CB -0.927 37.099 38.000 0.044 0.000 1.072 497 I HN 0.234 nan 8.210 nan 0.000 0.417 498 L N 1.311 122.625 121.223 0.151 0.000 2.083 498 L HA -0.177 -0.332 4.340 -7.491 0.000 0.209 498 L C 2.727 179.688 176.870 0.152 0.000 1.083 498 L CA 1.740 56.683 54.840 0.171 0.000 0.752 498 L CB -0.799 41.374 42.059 0.190 0.000 0.899 498 L HN 0.124 nan 8.230 nan 0.000 0.433 499 R N -0.672 119.891 120.500 0.105 0.000 2.083 499 R HA -0.153 -0.308 4.340 -7.491 0.000 0.237 499 R C 2.229 178.587 176.300 0.097 0.000 1.137 499 R CA 1.958 58.110 56.100 0.087 0.000 0.951 499 R CB -0.377 29.954 30.300 0.052 0.000 0.851 499 R HN 0.468 nan 8.270 nan 0.000 0.434 500 L N -0.556 120.722 121.223 0.091 0.000 2.275 500 L HA -0.144 -0.298 4.340 -7.491 0.000 0.215 500 L C 2.105 179.031 176.870 0.093 0.000 1.119 500 L CA 0.764 55.651 54.840 0.078 0.000 0.790 500 L CB -0.399 41.695 42.059 0.059 0.000 0.919 500 L HN 0.275 nan 8.230 nan 0.000 0.443 501 Y N 0.801 121.118 120.300 0.027 0.000 2.263 501 Y HA -0.098 -0.041 4.550 -7.488 0.000 0.292 501 Y C 2.375 178.284 175.900 0.014 0.000 1.130 501 Y CA 1.378 59.488 58.100 0.017 0.000 1.179 501 Y CB -0.247 38.221 38.460 0.013 0.000 0.998 501 Y HN 0.069 nan 8.280 nan 0.000 0.532 502 G N -0.593 108.298 108.800 0.151 0.000 2.422 502 G HA2 -0.235 -0.770 3.960 -7.491 0.000 0.218 502 G HA3 -0.235 -0.770 3.960 -7.491 0.000 0.218 502 G C 1.174 176.093 174.900 0.032 0.000 1.140 502 G CA 1.109 46.258 45.100 0.081 0.000 0.775 502 G HN 0.324 nan 8.290 nan 0.000 0.545 503 D N 0.269 120.706 120.400 0.063 0.000 2.310 503 D HA 0.004 0.149 4.640 -7.491 0.000 0.212 503 D C 2.495 178.808 176.300 0.021 0.000 0.965 503 D CA 0.059 54.125 54.000 0.109 0.000 0.879 503 D CB -0.061 40.794 40.800 0.092 0.000 0.921 503 D HN 0.278 nan 8.370 nan 0.000 0.510 504 L N 0.874 122.036 121.223 -0.101 0.000 2.127 504 L HA -0.219 -0.374 4.340 -7.491 0.000 0.211 504 L C 2.431 179.213 176.870 -0.146 0.000 1.089 504 L CA 1.169 55.911 54.840 -0.163 0.000 0.757 504 L CB -0.439 41.411 42.059 -0.348 0.000 0.899 504 L HN 0.190 nan 8.230 nan 0.000 0.434 505 Q N -1.147 118.536 119.800 -0.194 0.000 2.488 505 Q HA -0.150 -0.305 4.340 -7.491 0.000 0.211 505 Q C 0.629 176.435 176.000 -0.323 0.000 0.967 505 Q CA 0.987 56.633 55.803 -0.261 0.000 0.926 505 Q CB -0.068 28.486 28.738 -0.307 0.000 0.992 505 Q HN 0.571 nan 8.270 nan 0.000 0.506 506 H N 0.354 119.404 119.070 -0.032 0.000 2.469 506 H HA 0.346 0.407 4.556 -7.492 0.000 0.286 506 H C -0.264 175.055 175.328 -0.015 0.000 1.106 506 H CA -0.338 55.698 56.048 -0.019 0.000 1.055 506 H CB 0.234 29.989 29.762 -0.011 0.000 1.618 506 H HN 0.182 nan 8.280 nan 0.000 0.559 507 L N 1.393 122.644 121.223 0.048 0.000 2.417 507 L HA 0.142 -0.012 4.340 -7.491 0.000 0.268 507 L C 0.481 177.370 176.870 0.032 0.000 1.158 507 L CA -0.152 54.709 54.840 0.036 0.000 0.819 507 L CB 0.830 42.890 42.059 0.002 0.000 1.112 507 L HN -0.002 nan 8.230 nan 0.000 0.458 508 K N 1.544 121.971 120.400 0.045 0.000 2.323 508 K HA 0.412 0.237 4.320 -7.491 0.000 0.259 508 K C -0.919 175.716 176.600 0.057 0.000 0.947 508 K CA -0.330 55.965 56.287 0.013 0.000 0.819 508 K CB 1.644 34.150 32.500 0.009 0.000 1.109 508 K HN 0.450 nan 8.250 nan 0.000 0.429 509 T N 4.365 118.917 114.554 -0.004 0.000 2.895 509 T HA 0.404 0.260 4.350 -7.491 0.000 0.283 509 T C 0.164 174.847 174.700 -0.028 0.000 1.014 509 T CA -0.408 61.728 62.100 0.060 0.000 1.037 509 T CB 0.626 69.500 68.868 0.009 0.000 1.006 509 T HN 0.513 nan 8.240 nan 0.000 0.468 510 F N -0.172 119.772 119.950 -0.009 0.000 2.553 510 F HA 0.230 0.262 4.527 -7.492 0.000 0.282 510 F C 1.336 177.127 175.800 -0.015 0.000 1.089 510 F CA -0.388 57.611 58.000 -0.002 0.000 1.411 510 F CB 0.545 39.547 39.000 0.002 0.000 1.125 510 F HN 0.399 nan 8.300 nan 0.000 0.610 511 D N 0.423 120.913 120.400 0.151 0.000 2.308 511 D HA 0.138 0.283 4.640 -7.491 0.000 0.251 511 D C 0.693 176.968 176.300 -0.042 0.000 1.127 511 D CA 0.214 54.246 54.000 0.054 0.000 0.876 511 D CB 1.321 42.146 40.800 0.041 0.000 1.176 511 D HN -0.073 nan 8.370 nan 0.000 0.446 512 R N 1.438 121.903 120.500 -0.058 0.000 2.365 512 R HA 0.296 0.141 4.340 -7.491 0.000 0.223 512 R C 0.865 177.076 176.300 -0.148 0.000 0.899 512 R CA -0.193 55.814 56.100 -0.155 0.000 1.059 512 R CB 0.674 30.939 30.300 -0.059 0.000 1.086 512 R HN 0.415 nan 8.270 nan 0.000 0.522 513 G N -0.381 108.377 108.800 -0.071 0.000 2.572 513 G HA2 0.130 -0.405 3.960 -7.491 0.000 0.261 513 G HA3 0.130 -0.405 3.960 -7.491 0.000 0.261 513 G C 0.638 175.509 174.900 -0.048 0.000 1.197 513 G CA -0.424 44.652 45.100 -0.040 0.000 0.870 513 G HN 0.003 nan 8.290 nan 0.000 0.548 514 M N 0.006 119.591 119.600 -0.025 0.000 2.466 514 M HA 0.082 0.067 4.480 -7.491 0.000 0.265 514 M C 0.756 177.061 176.300 0.009 0.000 1.122 514 M CA 0.589 55.879 55.300 -0.017 0.000 1.157 514 M CB 0.070 32.658 32.600 -0.020 0.000 1.352 514 M HN 0.121 nan 8.290 nan 0.000 0.464 515 V N 0.721 120.665 119.914 0.050 0.000 2.488 515 V HA 0.001 -0.374 4.120 -7.491 0.000 0.277 515 V C -0.423 175.791 176.094 0.200 0.000 1.046 515 V CA -0.422 61.951 62.300 0.121 0.000 0.986 515 V CB -0.056 31.855 31.823 0.146 0.000 0.989 515 V HN 0.691 nan 8.190 nan 0.000 0.475 516 W N 3.791 125.080 121.300 -0.019 0.000 6.840 516 W HA -0.228 -0.062 4.660 -7.491 0.000 0.413 516 W C 1.001 177.502 176.519 -0.030 0.000 1.605 516 W CA 0.445 57.778 57.345 -0.020 0.000 1.122 516 W CB -0.879 28.575 29.460 -0.010 0.000 2.811 516 W HN 0.723 nan 8.180 nan 0.000 1.578 517 N N 0.788 119.511 118.700 0.038 0.000 2.895 517 N HA 0.025 0.270 4.740 -7.491 0.000 0.277 517 N C 1.428 176.923 175.510 -0.025 0.000 1.185 517 N CA 1.084 54.139 53.050 0.008 0.000 1.106 517 N CB 0.361 38.819 38.487 -0.049 0.000 1.422 517 N HN 0.315 nan 8.380 nan 0.000 0.521 518 T N -1.221 113.367 114.554 0.057 0.000 2.867 518 T HA -0.161 -0.306 4.350 -7.491 0.000 0.268 518 T C 1.456 176.153 174.700 -0.005 0.000 1.057 518 T CA 0.798 62.919 62.100 0.035 0.000 1.136 518 T CB -0.076 68.881 68.868 0.149 0.000 0.874 518 T HN 0.238 nan 8.240 nan 0.000 0.466 519 D N 1.506 121.914 120.400 0.012 0.000 2.160 519 D HA -0.156 -0.011 4.640 -7.491 0.000 0.189 519 D C 1.968 178.251 176.300 -0.029 0.000 1.003 519 D CA 1.462 55.468 54.000 0.010 0.000 0.846 519 D CB -0.551 40.273 40.800 0.040 0.000 0.949 519 D HN 0.379 nan 8.370 nan 0.000 0.446 520 L N 0.505 121.689 121.223 -0.066 0.000 2.046 520 L HA -0.112 -0.267 4.340 -7.491 0.000 0.208 520 L C 2.643 179.392 176.870 -0.202 0.000 1.077 520 L CA 2.147 56.915 54.840 -0.119 0.000 0.747 520 L CB -0.876 41.102 42.059 -0.135 0.000 0.896 520 L HN 0.163 nan 8.230 nan 0.000 0.432 521 V N -2.358 117.399 119.914 -0.262 0.000 2.358 521 V HA -0.209 -0.584 4.120 -7.491 0.000 0.246 521 V C 2.164 178.084 176.094 -0.290 0.000 1.047 521 V CA 1.907 63.926 62.300 -0.468 0.000 1.035 521 V CB -1.034 30.480 31.823 -0.516 0.000 0.658 521 V HN 0.601 nan 8.190 nan 0.000 0.452 522 E N 0.540 120.668 120.200 -0.120 0.000 2.204 522 E HA -0.138 -0.283 4.350 -7.491 0.000 0.195 522 E C 2.255 178.841 176.600 -0.024 0.000 0.990 522 E CA 1.762 58.146 56.400 -0.026 0.000 0.821 522 E CB -0.328 29.380 29.700 0.012 0.000 0.750 522 E HN 0.752 nan 8.360 nan 0.000 0.477 523 T N 1.394 115.913 114.554 -0.058 0.000 2.770 523 T HA -0.074 -0.219 4.350 -7.491 0.000 0.263 523 T C 2.007 176.676 174.700 -0.052 0.000 1.039 523 T CA 0.621 62.696 62.100 -0.043 0.000 1.142 523 T CB -0.191 68.650 68.868 -0.045 0.000 0.868 523 T HN 0.064 nan 8.240 nan 0.000 0.435 524 L N 0.963 122.119 121.223 -0.111 0.000 2.043 524 L HA -0.165 -0.320 4.340 -7.491 0.000 0.212 524 L C 2.750 179.661 176.870 0.068 0.000 1.075 524 L CA 1.541 56.338 54.840 -0.072 0.000 0.752 524 L CB -0.654 41.248 42.059 -0.261 0.000 0.891 524 L HN 0.322 nan 8.230 nan 0.000 0.432 525 E N -0.185 120.061 120.200 0.077 0.000 2.085 525 E HA -0.275 -0.420 4.350 -7.491 0.000 0.194 525 E C 2.146 178.805 176.600 0.098 0.000 0.994 525 E CA 1.315 57.812 56.400 0.162 0.000 0.801 525 E CB -0.227 29.566 29.700 0.155 0.000 0.743 525 E HN 0.301 nan 8.360 nan 0.000 0.453 526 L N 1.411 122.667 121.223 0.055 0.000 1.994 526 L HA -0.246 -0.401 4.340 -7.491 0.000 0.208 526 L C 2.238 179.127 176.870 0.031 0.000 1.071 526 L CA 1.813 56.677 54.840 0.040 0.000 0.745 526 L CB -0.352 41.719 42.059 0.020 0.000 0.892 526 L HN 0.068 nan 8.230 nan 0.000 0.431 527 Q N -0.557 119.251 119.800 0.014 0.000 2.133 527 Q HA -0.259 -0.414 4.340 -7.491 0.000 0.208 527 Q C 1.925 177.961 176.000 0.059 0.000 0.991 527 Q CA 1.969 57.778 55.803 0.011 0.000 0.867 527 Q CB -0.285 28.456 28.738 0.004 0.000 0.911 527 Q HN 0.615 nan 8.270 nan 0.000 0.417 528 N N 0.365 119.107 118.700 0.070 0.000 2.080 528 N HA -0.095 0.150 4.740 -7.491 0.000 0.189 528 N C 1.834 177.364 175.510 0.032 0.000 1.036 528 N CA 0.907 53.991 53.050 0.057 0.000 0.846 528 N CB -0.410 38.126 38.487 0.081 0.000 1.015 528 N HN 0.184 nan 8.380 nan 0.000 0.423 529 L N 0.349 121.603 121.223 0.053 0.000 2.042 529 L HA -0.147 -0.302 4.340 -7.491 0.000 0.210 529 L C 2.243 179.132 176.870 0.032 0.000 1.076 529 L CA 0.929 55.799 54.840 0.050 0.000 0.749 529 L CB -0.318 41.784 42.059 0.072 0.000 0.893 529 L HN 0.163 nan 8.230 nan 0.000 0.432 530 M N -0.556 119.082 119.600 0.063 0.000 2.117 530 M HA -0.194 -0.209 4.480 -7.491 0.000 0.262 530 M C 2.337 178.701 176.300 0.108 0.000 1.065 530 M CA 1.800 57.170 55.300 0.117 0.000 1.114 530 M CB -0.999 31.716 32.600 0.192 0.000 1.361 530 M HN 0.246 nan 8.290 nan 0.000 0.408 531 L N -1.195 120.078 121.223 0.084 0.000 2.141 531 L HA -0.213 -0.368 4.340 -7.491 0.000 0.209 531 L C 2.521 179.316 176.870 -0.124 0.000 1.094 531 L CA 0.674 55.509 54.840 -0.007 0.000 0.763 531 L CB -0.689 41.370 42.059 0.001 0.000 0.908 531 L HN 0.318 nan 8.230 nan 0.000 0.437 532 C N -0.438 118.744 119.300 -0.196 0.000 2.457 532 C HA 0.016 -0.018 4.460 -7.491 0.000 0.278 532 C C 3.115 177.939 174.990 -0.277 0.000 1.309 532 C CA 0.474 59.217 59.018 -0.459 0.000 1.735 532 C CB -0.914 26.365 27.740 -0.769 0.000 1.992 532 C HN 0.593 nan 8.230 nan 0.000 0.493 533 A N 0.703 123.464 122.820 -0.097 0.000 1.855 533 A HA -0.062 -0.237 4.320 -7.491 0.000 0.215 533 A C 2.120 179.713 177.584 0.014 0.000 1.191 533 A CA 1.240 53.264 52.037 -0.021 0.000 0.613 533 A CB -0.739 18.258 19.000 -0.005 0.000 0.829 533 A HN 0.420 nan 8.150 nan 0.000 0.442 534 L N -0.031 121.208 121.223 0.026 0.000 1.997 534 L HA -0.276 -0.431 4.340 -7.491 0.000 0.216 534 L C 2.729 179.667 176.870 0.114 0.000 1.074 534 L CA 2.418 57.308 54.840 0.082 0.000 0.763 534 L CB -1.552 40.475 42.059 -0.053 0.000 0.890 534 L HN 0.569 nan 8.230 nan 0.000 0.434 535 Q N -1.584 118.216 119.800 0.000 0.000 2.079 535 Q HA -0.143 -0.298 4.340 -7.491 0.000 0.200 535 Q C 1.984 178.014 176.000 0.049 0.000 0.974 535 Q CA 1.855 57.658 55.803 -0.001 0.000 0.840 535 Q CB -0.163 28.523 28.738 -0.088 0.000 0.898 535 Q HN 0.507 nan 8.270 nan 0.000 0.430 536 T N 1.184 115.765 114.554 0.044 0.000 2.720 536 T HA -0.172 -0.317 4.350 -7.491 0.000 0.268 536 T C 1.779 176.538 174.700 0.099 0.000 1.037 536 T CA 1.208 63.377 62.100 0.114 0.000 1.144 536 T CB -0.142 68.848 68.868 0.204 0.000 0.864 536 T HN 0.157 nan 8.240 nan 0.000 0.444 537 I N -0.630 119.992 120.570 0.087 0.000 2.400 537 I HA 0.066 -0.259 4.170 -7.491 0.000 0.248 537 I C 1.852 177.957 176.117 -0.020 0.000 1.109 537 I CA 0.854 62.174 61.300 0.032 0.000 1.425 537 I CB -0.111 37.876 38.000 -0.021 0.000 1.094 537 I HN 0.157 nan 8.210 nan 0.000 0.425 538 Y N 0.551 120.855 120.300 0.007 0.000 2.163 538 Y HA -0.094 -0.043 4.550 -7.498 0.000 0.288 538 Y C 2.563 178.475 175.900 0.020 0.000 1.136 538 Y CA 1.788 59.894 58.100 0.011 0.000 1.147 538 Y CB -1.125 37.333 38.460 -0.004 0.000 0.987 538 Y HN 0.198 nan 8.280 nan 0.000 0.509 539 G N -0.441 108.457 108.800 0.162 0.000 2.440 539 G HA2 -0.302 -0.837 3.960 -7.491 0.000 0.218 539 G HA3 -0.302 -0.837 3.960 -7.491 0.000 0.218 539 G C 1.910 176.798 174.900 -0.020 0.000 1.154 539 G CA 1.102 46.257 45.100 0.092 0.000 0.767 539 G HN 0.483 nan 8.290 nan 0.000 0.552 540 A N 1.565 124.355 122.820 -0.051 0.000 1.908 540 A HA -0.077 -0.252 4.320 -7.491 0.000 0.218 540 A C 2.205 179.787 177.584 -0.004 0.000 1.181 540 A CA 2.296 54.269 52.037 -0.107 0.000 0.627 540 A CB -0.490 18.540 19.000 0.049 0.000 0.818 540 A HN 0.570 nan 8.150 nan 0.000 0.445 541 E N 0.155 120.360 120.200 0.010 0.000 2.274 541 E HA 0.130 -0.015 4.350 -7.491 0.000 0.194 541 E C 1.623 178.231 176.600 0.014 0.000 0.996 541 E CA 1.383 57.793 56.400 0.017 0.000 0.840 541 E CB -0.402 29.278 29.700 -0.034 0.000 0.772 541 E HN 0.420 nan 8.360 nan 0.000 0.491 542 A N 0.938 123.773 122.820 0.025 0.000 1.975 542 A HA 0.038 -0.137 4.320 -7.491 0.000 0.215 542 A C 1.624 179.116 177.584 -0.152 0.000 1.170 542 A CA 0.446 52.533 52.037 0.084 0.000 0.656 542 A CB -0.375 18.774 19.000 0.249 0.000 0.821 542 A HN 0.179 nan 8.150 nan 0.000 0.449 543 R N 1.080 121.322 120.500 -0.430 0.000 2.345 543 R HA 0.149 -0.006 4.340 -7.491 0.000 0.331 543 R C -0.854 174.892 176.300 -0.923 0.000 1.067 543 R CA 0.131 55.550 56.100 -1.135 0.000 0.962 543 R CB -0.094 29.693 30.300 -0.854 0.000 0.987 543 R HN 0.155 nan 8.270 nan 0.000 0.451 544 K N 4.603 124.167 120.400 -1.393 0.000 2.778 544 K HA 0.072 -0.103 4.320 -7.491 0.000 0.238 544 K C -0.890 175.167 176.600 -0.906 0.000 1.233 544 K CA -0.184 55.443 56.287 -1.099 0.000 1.195 544 K CB 0.369 32.096 32.500 -1.289 0.000 1.743 544 K HN 0.684 nan 8.250 nan 0.000 0.418 545 E N -1.838 118.064 120.200 -0.495 0.000 2.437 545 E HA 0.347 0.202 4.350 -7.491 0.000 0.280 545 E C -1.263 175.347 176.600 0.016 0.000 1.044 545 E CA -1.055 55.273 56.400 -0.121 0.000 0.826 545 E CB 1.187 30.820 29.700 -0.112 0.000 1.358 545 E HN -0.130 nan 8.360 nan 0.000 0.459 546 S N 0.397 116.148 115.700 0.085 0.000 2.438 546 S HA 0.553 0.528 4.470 -7.491 0.000 0.316 546 S C -0.867 173.821 174.600 0.146 0.000 1.084 546 S CA -0.707 57.541 58.200 0.080 0.000 1.107 546 S CB 0.656 63.902 63.200 0.076 0.000 0.981 546 S HN 0.457 nan 8.310 nan 0.000 0.466 547 R N 2.285 122.905 120.500 0.199 0.000 2.522 547 R HA 0.532 0.377 4.340 -7.491 0.000 0.283 547 R C 0.630 177.133 176.300 0.338 0.000 1.074 547 R CA 0.273 56.538 56.100 0.275 0.000 0.925 547 R CB 0.820 31.324 30.300 0.341 0.000 1.205 547 R HN 0.856 nan 8.270 nan 0.000 0.436 548 G N 2.525 111.483 108.800 0.264 0.000 2.622 548 G HA2 -0.465 -1.000 3.960 -7.491 0.000 0.307 548 G HA3 -0.465 -1.000 3.960 -7.491 0.000 0.307 548 G C 0.780 175.808 174.900 0.212 0.000 1.226 548 G CA 0.721 45.972 45.100 0.251 0.000 0.997 548 G HN 0.919 nan 8.290 nan 0.000 0.551 549 A N -0.865 122.119 122.820 0.273 0.000 2.066 549 A HA 0.129 -0.045 4.320 -7.491 0.000 0.218 549 A C 1.350 178.991 177.584 0.095 0.000 1.157 549 A CA 1.754 53.900 52.037 0.181 0.000 0.670 549 A CB -0.363 18.791 19.000 0.257 0.000 0.804 549 A HN 0.977 nan 8.150 nan 0.000 0.453 550 H N 0.532 119.570 119.070 -0.054 0.000 2.969 550 H HA 0.516 0.560 4.556 -7.520 0.000 0.269 550 H C -0.604 174.673 175.328 -0.085 0.000 1.223 550 H CA 0.067 55.999 56.048 -0.192 0.000 1.400 550 H CB 0.118 29.561 29.762 -0.532 0.000 1.500 550 H HN 0.252 nan 8.280 nan 0.000 0.486 551 A N 7.165 129.794 122.820 -0.317 0.000 2.260 551 A HA 0.430 0.255 4.320 -7.491 0.000 0.314 551 A C -0.035 177.409 177.584 -0.234 0.000 1.257 551 A CA -0.841 51.076 52.037 -0.201 0.000 0.871 551 A CB 0.521 19.436 19.000 -0.142 0.000 1.166 551 A HN 0.668 nan 8.150 nan 0.000 0.522 552 R N 1.889 122.288 120.500 -0.167 0.000 2.407 552 R HA 0.314 0.159 4.340 -7.491 0.000 0.303 552 R C -0.045 176.269 176.300 0.023 0.000 0.981 552 R CA -0.452 55.603 56.100 -0.075 0.000 0.905 552 R CB 1.478 31.787 30.300 0.014 0.000 1.099 552 R HN 0.816 nan 8.270 nan 0.000 0.459 553 E N 1.031 121.231 120.200 -0.000 0.000 2.447 553 E HA -0.062 -0.207 4.350 -7.491 0.000 0.195 553 E C 0.150 176.680 176.600 -0.118 0.000 1.028 553 E CA 0.573 56.941 56.400 -0.055 0.000 0.876 553 E CB 0.501 30.139 29.700 -0.104 0.000 0.885 553 E HN 0.537 nan 8.360 nan 0.000 0.500 554 D N -0.536 119.773 120.400 -0.152 0.000 2.346 554 D HA -0.050 0.095 4.640 -7.491 0.000 0.206 554 D C 0.122 175.931 176.300 -0.818 0.000 1.001 554 D CA 0.127 53.868 54.000 -0.432 0.000 0.871 554 D CB -0.188 40.352 40.800 -0.434 0.000 0.943 554 D HN 0.015 nan 8.370 nan 0.000 0.518 555 F N 0.846 120.782 119.950 -0.022 0.000 2.872 555 F HA 0.349 0.505 4.527 -7.285 0.000 0.365 555 F C 0.904 176.701 175.800 -0.005 0.000 1.296 555 F CA -0.943 57.052 58.000 -0.009 0.000 1.199 555 F CB 1.434 40.422 39.000 -0.021 0.000 1.687 555 F HN -0.350 nan 8.300 nan 0.000 0.604 556 K N -0.250 120.210 120.400 0.100 0.000 2.362 556 K HA 0.002 -0.173 4.320 -7.491 0.000 0.200 556 K C 0.391 177.059 176.600 0.114 0.000 1.046 556 K CA 0.480 56.819 56.287 0.087 0.000 0.952 556 K CB 0.116 32.645 32.500 0.048 0.000 0.753 556 K HN 0.422 nan 8.250 nan 0.000 0.466 557 E N 1.627 121.913 120.200 0.143 0.000 2.354 557 E HA 0.087 -0.058 4.350 -7.491 0.000 0.269 557 E C 0.094 176.786 176.600 0.153 0.000 1.036 557 E CA -0.270 56.216 56.400 0.143 0.000 0.876 557 E CB 0.962 30.755 29.700 0.155 0.000 1.009 557 E HN -0.094 nan 8.360 nan 0.000 0.416 558 R N 1.869 122.458 120.500 0.148 0.000 2.242 558 R HA 0.183 0.029 4.340 -7.491 0.000 0.334 558 R C -0.809 175.597 176.300 0.176 0.000 1.071 558 R CA -0.299 55.900 56.100 0.166 0.000 0.922 558 R CB 0.296 30.692 30.300 0.160 0.000 1.023 558 R HN 0.199 nan 8.270 nan 0.000 0.458 559 V N 5.569 125.610 119.914 0.212 0.000 2.288 559 V HA 0.118 -0.256 4.120 -7.491 0.000 0.266 559 V C 0.322 176.543 176.094 0.212 0.000 1.048 559 V CA -0.479 61.958 62.300 0.228 0.000 0.842 559 V CB 0.881 32.897 31.823 0.320 0.000 1.064 559 V HN 0.608 nan 8.190 nan 0.000 0.472 560 D N 2.894 123.378 120.400 0.139 0.000 2.567 560 D HA 0.287 0.432 4.640 -7.491 0.000 0.275 560 D C 1.077 177.263 176.300 -0.191 0.000 1.195 560 D CA -0.538 53.495 54.000 0.056 0.000 1.087 560 D CB 1.067 42.023 40.800 0.259 0.000 1.165 560 D HN 0.493 nan 8.370 nan 0.000 0.609 561 E N -0.782 119.178 120.200 -0.400 0.000 2.112 561 E HA -0.040 -0.185 4.350 -7.491 0.000 0.190 561 E C -0.019 176.226 176.600 -0.592 0.000 0.979 561 E CA 1.119 57.138 56.400 -0.634 0.000 0.814 561 E CB -0.167 29.125 29.700 -0.679 0.000 0.762 561 E HN 0.379 nan 8.360 nan 0.000 0.460 562 Y N -0.027 120.089 120.300 -0.306 0.000 2.567 562 Y HA 0.312 0.371 4.550 -7.486 0.000 0.333 562 Y C -0.178 175.506 175.900 -0.359 0.000 1.106 562 Y CA -1.561 56.239 58.100 -0.499 0.000 1.157 562 Y CB 1.083 38.934 38.460 -1.016 0.000 1.277 562 Y HN -0.236 nan 8.280 nan 0.000 0.490 563 D N 0.548 120.898 120.400 -0.084 0.000 2.402 563 D HA 0.054 0.199 4.640 -7.491 0.000 0.235 563 D C -0.293 175.951 176.300 -0.094 0.000 1.226 563 D CA 0.328 54.306 54.000 -0.037 0.000 0.918 563 D CB -0.146 40.649 40.800 -0.009 0.000 1.043 563 D HN 0.457 nan 8.370 nan 0.000 0.506 564 Y N 1.342 121.639 120.300 -0.006 0.000 2.529 564 Y HA -0.071 -0.021 4.550 -7.500 0.000 0.290 564 Y C 2.409 178.260 175.900 -0.083 0.000 1.177 564 Y CA 0.370 58.427 58.100 -0.072 0.000 1.305 564 Y CB 0.241 38.614 38.460 -0.144 0.000 1.047 564 Y HN 0.398 nan 8.280 nan 0.000 0.522 565 S N -0.758 114.982 115.700 0.067 0.000 2.371 565 S HA -0.051 -0.076 4.470 -7.491 0.000 0.224 565 S C 0.833 175.436 174.600 0.005 0.000 1.029 565 S CA 0.435 58.654 58.200 0.032 0.000 0.978 565 S CB -0.052 63.166 63.200 0.030 0.000 0.833 565 S HN 0.189 nan 8.310 nan 0.000 0.466 566 K N 2.265 122.655 120.400 -0.016 0.000 2.090 566 K HA 0.394 0.219 4.320 -7.491 0.000 0.250 566 K C -2.662 173.897 176.600 -0.068 0.000 1.004 566 K CA -2.420 53.845 56.287 -0.036 0.000 0.919 566 K CB 0.238 32.716 32.500 -0.037 0.000 1.045 566 K HN 0.146 nan 8.250 nan 0.000 0.471 567 P HA -0.017 nan 4.420 nan 0.000 0.269 567 P C 0.224 177.424 177.300 -0.167 0.000 1.209 567 P CA 0.143 63.181 63.100 -0.103 0.000 0.776 567 P CB 0.310 31.964 31.700 -0.077 0.000 0.876 568 I N -1.120 119.291 120.570 -0.264 0.000 3.793 568 I HA -0.013 -0.337 4.170 -7.491 0.000 0.315 568 I C 1.826 177.749 176.117 -0.323 0.000 1.275 568 I CA 0.413 61.444 61.300 -0.447 0.000 1.214 568 I CB -0.652 36.782 38.000 -0.943 0.000 1.018 568 I HN 0.135 nan 8.210 nan 0.000 0.439 569 Q N 2.437 122.123 119.800 -0.190 0.000 1.891 569 Q HA -0.057 -0.212 4.340 -7.491 0.000 0.214 569 Q C 1.371 177.329 176.000 -0.070 0.000 0.995 569 Q CA 1.740 57.472 55.803 -0.119 0.000 0.866 569 Q CB -0.748 27.941 28.738 -0.081 0.000 0.931 569 Q HN 0.675 nan 8.270 nan 0.000 0.422 570 G N 1.411 110.181 108.800 -0.049 0.000 2.985 570 G HA2 0.178 -0.357 3.960 -7.491 0.000 0.282 570 G HA3 0.178 -0.357 3.960 -7.491 0.000 0.282 570 G C -0.528 174.366 174.900 -0.010 0.000 0.791 570 G CA 0.021 45.108 45.100 -0.022 0.000 1.934 570 G HN 0.130 nan 8.290 nan 0.000 0.563 571 Q N 0.176 119.984 119.800 0.014 0.000 2.438 571 Q HA 0.139 -0.016 4.340 -7.491 0.000 0.272 571 Q C -1.223 174.847 176.000 0.116 0.000 0.994 571 Q CA -0.772 55.063 55.803 0.054 0.000 0.887 571 Q CB 1.961 30.730 28.738 0.051 0.000 1.432 571 Q HN 0.295 nan 8.270 nan 0.000 0.392 572 Q N 2.530 122.373 119.800 0.072 0.000 2.294 572 Q HA 0.188 0.033 4.340 -7.491 0.000 0.257 572 Q C -0.860 175.115 176.000 -0.041 0.000 0.955 572 Q CA -0.009 55.817 55.803 0.038 0.000 0.936 572 Q CB 1.373 30.115 28.738 0.006 0.000 1.188 572 Q HN 0.429 nan 8.270 nan 0.000 0.420 573 K N 3.084 123.415 120.400 -0.114 0.000 2.447 573 K HA 0.023 -0.152 4.320 -7.491 0.000 0.281 573 K C -0.478 175.967 176.600 -0.258 0.000 1.031 573 K CA 0.089 56.089 56.287 -0.479 0.000 1.019 573 K CB 0.507 32.783 32.500 -0.373 0.000 0.918 573 K HN 0.260 nan 8.250 nan 0.000 0.476 574 K N 5.410 125.645 120.400 -0.275 0.000 2.350 574 K HA 0.143 -0.032 4.320 -7.491 0.000 0.279 574 K C -2.262 174.365 176.600 0.044 0.000 1.027 574 K CA -1.661 54.580 56.287 -0.077 0.000 0.969 574 K CB 0.658 33.142 32.500 -0.028 0.000 0.954 574 K HN 0.482 nan 8.250 nan 0.000 0.474 575 P HA -0.131 nan 4.420 nan 0.000 0.269 575 P C 0.115 177.429 177.300 0.023 0.000 1.211 575 P CA 0.123 63.250 63.100 0.045 0.000 0.781 575 P CB 0.355 32.052 31.700 -0.005 0.000 0.877 576 F N 1.788 121.666 119.950 -0.119 0.000 2.095 576 F HA -0.241 -0.178 4.527 -7.440 0.000 0.298 576 F C 1.908 177.352 175.800 -0.594 0.000 1.104 576 F CA 1.521 59.327 58.000 -0.324 0.000 1.232 576 F CB -0.057 38.863 39.000 -0.132 0.000 0.987 576 F HN 0.304 nan 8.300 nan 0.000 0.475 577 Q N 0.614 120.212 119.800 -0.337 0.000 2.282 577 Q HA -0.059 -0.214 4.340 -7.491 0.000 0.205 577 Q C 0.702 176.402 176.000 -0.500 0.000 0.915 577 Q CA 0.645 56.168 55.803 -0.465 0.000 0.949 577 Q CB -0.171 28.465 28.738 -0.171 0.000 1.035 577 Q HN 0.674 nan 8.270 nan 0.000 0.484 578 E N 0.521 120.420 120.200 -0.500 0.000 2.562 578 E HA 0.036 -0.109 4.350 -7.491 0.000 0.214 578 E C 0.048 176.435 176.600 -0.356 0.000 0.979 578 E CA -0.135 56.057 56.400 -0.346 0.000 1.002 578 E CB 0.452 30.058 29.700 -0.158 0.000 1.048 578 E HN 0.598 nan 8.360 nan 0.000 0.488 579 H N -3.798 114.955 119.070 -0.528 0.000 3.218 579 H HA 0.229 0.286 4.556 -7.498 0.000 0.303 579 H C -0.535 174.338 175.328 -0.758 0.000 1.605 579 H CA -0.935 54.838 56.048 -0.458 0.000 1.298 579 H CB 0.276 29.896 29.762 -0.236 0.000 1.856 579 H HN 0.048 nan 8.280 nan 0.000 0.656 580 W N -0.443 120.877 121.300 0.034 0.000 2.055 580 W HA 0.338 4.845 4.660 -0.255 0.000 0.293 580 W C 0.690 177.222 176.519 0.022 0.000 0.886 580 W CA -0.504 56.781 57.345 -0.101 0.000 1.384 580 W CB 1.060 30.473 29.460 -0.078 0.000 1.068 580 W HN 0.298 nan 8.180 nan 0.000 0.513 581 R N 3.635 124.351 120.500 0.361 0.000 3.268 581 R HA 0.113 -0.042 4.340 -7.491 0.000 0.217 581 R C -0.224 176.170 176.300 0.157 0.000 1.568 581 R CA 0.529 56.752 56.100 0.205 0.000 1.322 581 R CB -0.756 29.609 30.300 0.108 0.000 1.280 581 R HN 0.007 nan 8.270 nan 0.000 0.667 582 K N 0.939 121.377 120.400 0.064 0.000 2.598 582 K HA 0.176 0.001 4.320 -7.491 0.000 0.271 582 K C -1.345 175.294 176.600 0.065 0.000 0.947 582 K CA -0.988 55.331 56.287 0.053 0.000 0.854 582 K CB 0.887 33.352 32.500 -0.059 0.000 1.401 582 K HN 0.191 nan 8.250 nan 0.000 0.415 583 H N 1.428 120.641 119.070 0.239 0.000 2.764 583 H HA 0.088 0.153 4.556 -7.485 0.000 0.341 583 H C -0.194 175.337 175.328 0.338 0.000 1.072 583 H CA 0.220 56.387 56.048 0.199 0.000 1.444 583 H CB 0.964 30.780 29.762 0.090 0.000 1.458 583 H HN 0.492 nan 8.280 nan 0.000 0.572 584 T N 5.157 119.982 114.554 0.452 0.000 2.814 584 T HA 0.225 0.080 4.350 -7.491 0.000 0.297 584 T C 0.868 175.586 174.700 0.029 0.000 0.956 584 T CA -0.416 61.867 62.100 0.304 0.000 1.123 584 T CB 0.142 69.218 68.868 0.348 0.000 0.902 584 T HN 0.251 nan 8.240 nan 0.000 0.528 585 L N 4.016 125.125 121.223 -0.190 0.000 2.280 585 L HA 0.444 0.290 4.340 -7.491 0.000 0.287 585 L C 0.400 177.093 176.870 -0.294 0.000 1.023 585 L CA -0.675 54.011 54.840 -0.257 0.000 0.819 585 L CB 1.233 43.123 42.059 -0.280 0.000 1.212 585 L HN 0.678 nan 8.230 nan 0.000 0.420 586 S N 1.935 117.445 115.700 -0.318 0.000 2.454 586 S HA 0.736 0.711 4.470 -7.491 0.000 0.306 586 S C -0.954 173.422 174.600 -0.373 0.000 1.100 586 S CA -0.723 57.340 58.200 -0.229 0.000 1.087 586 S CB 1.257 64.383 63.200 -0.123 0.000 1.019 586 S HN 0.329 nan 8.310 nan 0.000 0.480 587 Y N 0.574 120.809 120.300 -0.109 0.000 2.562 587 Y HA 0.764 0.816 4.550 -7.496 0.000 0.343 587 Y C -0.138 175.680 175.900 -0.137 0.000 1.025 587 Y CA -1.109 56.926 58.100 -0.108 0.000 1.082 587 Y CB 2.030 40.433 38.460 -0.095 0.000 1.264 587 Y HN 0.679 nan 8.280 nan 0.000 0.478 588 V N 2.215 122.147 119.914 0.030 0.000 2.668 588 V HA 0.276 -0.099 4.120 -7.491 0.000 0.304 588 V C -1.164 174.888 176.094 -0.070 0.000 1.071 588 V CA -0.721 61.528 62.300 -0.085 0.000 0.894 588 V CB 1.664 33.380 31.823 -0.178 0.000 1.008 588 V HN 0.890 nan 8.190 nan 0.000 0.425 589 D N 5.001 125.341 120.400 -0.101 0.000 2.358 589 D HA 0.084 0.229 4.640 -7.491 0.000 0.258 589 D C 0.984 177.230 176.300 -0.090 0.000 1.223 589 D CA 0.134 54.086 54.000 -0.080 0.000 0.886 589 D CB 2.003 42.753 40.800 -0.084 0.000 1.120 589 D HN 0.436 nan 8.370 nan 0.000 0.482 590 V N 4.917 124.817 119.914 -0.025 0.000 2.548 590 V HA -0.193 -0.568 4.120 -7.491 0.000 0.249 590 V C 2.420 178.591 176.094 0.129 0.000 1.055 590 V CA 1.172 63.504 62.300 0.053 0.000 1.065 590 V CB -0.430 31.437 31.823 0.074 0.000 0.681 590 V HN 0.447 nan 8.190 nan 0.000 0.462 591 K N 1.393 121.830 120.400 0.061 0.000 2.097 591 K HA -0.146 -0.321 4.320 -7.491 0.000 0.206 591 K C 1.945 178.601 176.600 0.094 0.000 1.049 591 K CA 2.210 58.537 56.287 0.067 0.000 0.933 591 K CB -0.472 32.041 32.500 0.023 0.000 0.717 591 K HN 0.653 nan 8.250 nan 0.000 0.442 592 T N -5.065 109.515 114.554 0.043 0.000 3.040 592 T HA 0.277 0.132 4.350 -7.491 0.000 0.266 592 T C 1.065 175.728 174.700 -0.062 0.000 1.005 592 T CA 0.215 62.335 62.100 0.033 0.000 0.906 592 T CB 0.433 69.294 68.868 -0.013 0.000 1.082 592 T HN 0.243 nan 8.240 nan 0.000 0.531 593 G N 2.023 110.646 108.800 -0.295 0.000 2.198 593 G HA2 -0.287 -0.822 3.960 -7.491 0.000 0.260 593 G HA3 -0.287 -0.822 3.960 -7.491 0.000 0.260 593 G C -0.118 174.492 174.900 -0.482 0.000 1.025 593 G CA 0.311 44.923 45.100 -0.814 0.000 0.769 593 G HN 0.767 nan 8.290 nan 0.000 0.507 594 K N 0.254 120.463 120.400 -0.317 0.000 2.297 594 K HA 0.469 0.294 4.320 -7.491 0.000 0.286 594 K C 0.325 176.725 176.600 -0.332 0.000 1.053 594 K CA -0.531 55.574 56.287 -0.303 0.000 0.940 594 K CB 0.808 33.196 32.500 -0.187 0.000 1.019 594 K HN 0.012 nan 8.250 nan 0.000 0.475 595 V N 3.719 123.345 119.914 -0.479 0.000 2.364 595 V HA 0.142 -0.233 4.120 -7.491 0.000 0.272 595 V C -0.162 175.803 176.094 -0.216 0.000 1.036 595 V CA -0.458 61.622 62.300 -0.368 0.000 0.880 595 V CB 1.316 32.844 31.823 -0.491 0.000 0.991 595 V HN 0.756 nan 8.190 nan 0.000 0.460 596 S N 6.386 122.034 115.700 -0.086 0.000 2.565 596 S HA 0.818 0.793 4.470 -7.491 0.000 0.290 596 S C -0.459 174.174 174.600 0.056 0.000 1.150 596 S CA -0.635 57.551 58.200 -0.022 0.000 1.058 596 S CB 1.295 64.468 63.200 -0.045 0.000 1.032 596 S HN 0.663 nan 8.310 nan 0.000 0.510 597 L N -0.267 120.974 121.223 0.030 0.000 2.434 597 L HA 0.780 0.625 4.340 -7.491 0.000 0.260 597 L C -0.901 175.881 176.870 -0.147 0.000 0.983 597 L CA -0.769 54.046 54.840 -0.042 0.000 0.820 597 L CB 1.859 43.877 42.059 -0.068 0.000 1.361 597 L HN 0.551 nan 8.230 nan 0.000 0.410 598 E N 0.574 120.562 120.200 -0.353 0.000 2.460 598 E HA 0.658 0.514 4.350 -7.491 0.000 0.277 598 E C -2.033 174.102 176.600 -0.775 0.000 1.010 598 E CA -0.724 55.470 56.400 -0.344 0.000 0.838 598 E CB 2.992 32.709 29.700 0.028 0.000 1.448 598 E HN 0.590 nan 8.360 nan 0.000 0.462 599 Y N -0.107 120.266 120.300 0.121 0.000 2.504 599 Y HA 0.412 0.522 4.550 -7.401 0.000 0.344 599 Y C -0.381 175.632 175.900 0.189 0.000 1.023 599 Y CA -1.084 57.113 58.100 0.162 0.000 1.020 599 Y CB 1.968 40.512 38.460 0.141 0.000 1.282 599 Y HN 0.387 nan 8.280 nan 0.000 0.454 600 R N 1.345 122.038 120.500 0.321 0.000 2.807 600 R HA 0.773 0.618 4.340 -7.491 0.000 0.276 600 R C -3.421 173.170 176.300 0.485 0.000 0.979 600 R CA -2.255 53.994 56.100 0.248 0.000 0.928 600 R CB 2.172 32.448 30.300 -0.040 0.000 1.191 600 R HN 0.209 nan 8.270 nan 0.000 0.471 601 P HA 0.010 nan 4.420 nan 0.000 0.274 601 P C -0.347 177.177 177.300 0.373 0.000 1.237 601 P CA -0.688 62.665 63.100 0.422 0.000 0.793 601 P CB 0.785 32.625 31.700 0.234 0.000 0.977 602 V N 0.708 120.778 119.914 0.260 0.000 2.686 602 V HA 0.397 0.022 4.120 -7.491 0.000 0.295 602 V C -0.173 176.061 176.094 0.233 0.000 1.057 602 V CA -0.582 61.872 62.300 0.257 0.000 1.012 602 V CB 0.268 32.111 31.823 0.033 0.000 1.006 602 V HN 0.255 nan 8.190 nan 0.000 0.477 603 I N 4.650 125.360 120.570 0.233 0.000 2.379 603 I HA 0.289 -0.036 4.170 -7.491 0.000 0.290 603 I C 0.547 176.767 176.117 0.170 0.000 1.063 603 I CA 0.046 61.450 61.300 0.174 0.000 1.351 603 I CB 0.792 38.879 38.000 0.144 0.000 1.410 603 I HN 0.709 nan 8.210 nan 0.000 0.505 604 D N 4.744 125.244 120.400 0.167 0.000 2.323 604 D HA -0.009 0.136 4.640 -7.491 0.000 0.218 604 D C 0.638 177.050 176.300 0.187 0.000 0.973 604 D CA 0.624 54.733 54.000 0.182 0.000 0.890 604 D CB 0.254 41.158 40.800 0.173 0.000 1.011 604 D HN 0.512 nan 8.370 nan 0.000 0.499 605 K N 1.507 121.999 120.400 0.154 0.000 2.355 605 K HA 0.221 0.046 4.320 -7.491 0.000 0.270 605 K C 0.643 177.337 176.600 0.157 0.000 1.003 605 K CA -0.102 56.269 56.287 0.140 0.000 0.957 605 K CB 0.581 33.144 32.500 0.105 0.000 0.939 605 K HN -0.067 nan 8.250 nan 0.000 0.482 606 T N -0.466 114.187 114.554 0.165 0.000 2.865 606 T HA 0.166 0.021 4.350 -7.491 0.000 0.302 606 T C 1.277 176.081 174.700 0.172 0.000 1.078 606 T CA -0.794 61.434 62.100 0.214 0.000 0.942 606 T CB 0.231 69.187 68.868 0.147 0.000 1.387 606 T HN 0.568 nan 8.240 nan 0.000 0.557 607 L N 0.140 121.547 121.223 0.307 0.000 2.341 607 L HA 0.287 0.132 4.340 -7.491 0.000 0.214 607 L C 0.683 177.643 176.870 0.149 0.000 1.115 607 L CA 0.570 55.457 54.840 0.079 0.000 0.820 607 L CB -0.214 41.715 42.059 -0.217 0.000 0.944 607 L HN 0.655 nan 8.230 nan 0.000 0.452 608 N N -0.867 117.979 118.700 0.244 0.000 2.697 608 N HA 0.008 0.254 4.740 -7.491 0.000 0.271 608 N C 0.240 175.790 175.510 0.066 0.000 1.149 608 N CA -0.165 52.973 53.050 0.147 0.000 0.939 608 N CB 1.132 39.727 38.487 0.179 0.000 1.534 608 N HN -0.109 nan 8.380 nan 0.000 0.556 609 E N 3.397 123.622 120.200 0.041 0.000 2.118 609 E HA -0.068 -0.213 4.350 -7.491 0.000 0.195 609 E C 1.457 178.047 176.600 -0.018 0.000 0.992 609 E CA 2.092 58.496 56.400 0.006 0.000 0.804 609 E CB -0.086 29.628 29.700 0.024 0.000 0.741 609 E HN 0.641 nan 8.360 nan 0.000 0.458 610 A N 0.275 123.097 122.820 0.005 0.000 1.908 610 A HA -0.199 -0.373 4.320 -7.491 0.000 0.218 610 A C 2.104 179.678 177.584 -0.016 0.000 1.181 610 A CA 2.030 54.067 52.037 -0.000 0.000 0.627 610 A CB -0.679 18.332 19.000 0.019 0.000 0.818 610 A HN 0.375 nan 8.150 nan 0.000 0.445 611 D N -2.596 117.803 120.400 -0.002 0.000 2.327 611 D HA 0.063 0.208 4.640 -7.491 0.000 0.205 611 D C -0.268 175.941 176.300 -0.151 0.000 0.989 611 D CA 0.520 54.519 54.000 -0.002 0.000 0.873 611 D CB 0.265 41.154 40.800 0.148 0.000 0.955 611 D HN 0.247 nan 8.370 nan 0.000 0.515 612 C N 1.052 120.208 119.300 -0.241 0.000 2.887 612 C HA 0.755 0.720 4.460 -7.491 0.000 0.379 612 C C -0.637 174.150 174.990 -0.340 0.000 1.064 612 C CA -0.789 57.947 59.018 -0.470 0.000 1.282 612 C CB -0.309 26.880 27.740 -0.918 0.000 1.749 612 C HN 0.288 nan 8.230 nan 0.000 0.489 613 A N 4.470 127.170 122.820 -0.200 0.000 2.363 613 A HA 0.599 0.424 4.320 -7.491 0.000 0.270 613 A C 0.622 178.262 177.584 0.092 0.000 1.121 613 A CA 0.213 52.221 52.037 -0.048 0.000 0.800 613 A CB 0.233 19.212 19.000 -0.036 0.000 1.052 613 A HN 0.930 nan 8.150 nan 0.000 0.493 614 T N 2.128 116.769 114.554 0.145 0.000 2.866 614 T HA 0.223 0.078 4.350 -7.491 0.000 0.293 614 T C 0.281 175.155 174.700 0.291 0.000 1.005 614 T CA 0.135 62.392 62.100 0.262 0.000 1.162 614 T CB -0.095 68.888 68.868 0.191 0.000 0.968 614 T HN 0.413 nan 8.240 nan 0.000 0.530 615 V N 7.856 128.017 119.914 0.412 0.000 2.353 615 V HA 0.241 -0.134 4.120 -7.491 0.000 0.264 615 V C -1.879 174.440 176.094 0.375 0.000 1.049 615 V CA -1.866 60.688 62.300 0.423 0.000 0.896 615 V CB 0.420 32.547 31.823 0.507 0.000 1.025 615 V HN 0.712 nan 8.190 nan 0.000 0.475 616 P HA 0.309 nan 4.420 nan 0.000 0.274 616 P C -2.692 174.227 177.300 -0.635 0.000 1.246 616 P CA -1.752 61.284 63.100 -0.106 0.000 0.795 616 P CB -0.133 31.531 31.700 -0.059 0.000 1.006 617 P HA 0.272 nan 4.420 nan 0.000 0.269 617 P C -0.853 175.502 177.300 -1.574 0.000 1.209 617 P CA 0.474 62.185 63.100 -2.316 0.000 0.776 617 P CB 0.317 30.817 31.700 -1.999 0.000 0.876 618 A N 2.775 124.684 122.820 -1.520 0.000 2.564 618 A HA 0.588 0.414 4.320 -7.491 0.000 0.288 618 A C -0.608 176.772 177.584 -0.340 0.000 1.164 618 A CA -0.880 50.806 52.037 -0.585 0.000 0.712 618 A CB 0.798 19.620 19.000 -0.296 0.000 1.303 618 A HN 0.430 nan 8.150 nan 0.000 0.418 619 I N 1.549 122.062 120.570 -0.095 0.000 2.662 619 I HA 0.094 -0.230 4.170 -7.491 0.000 0.285 619 I C 0.867 177.011 176.117 0.045 0.000 1.161 619 I CA 0.497 61.799 61.300 0.003 0.000 1.415 619 I CB 0.273 38.289 38.000 0.027 0.000 1.385 619 I HN 0.612 nan 8.210 nan 0.000 0.552 620 R N 6.644 127.213 120.500 0.115 0.000 2.246 620 R HA 0.460 0.306 4.340 -7.491 0.000 0.332 620 R C -0.742 175.567 176.300 0.016 0.000 0.974 620 R CA -0.303 55.871 56.100 0.123 0.000 0.837 620 R CB 1.172 31.670 30.300 0.330 0.000 1.145 620 R HN 0.768 nan 8.270 nan 0.000 0.467 621 S N 3.066 118.699 115.700 -0.111 0.000 2.661 621 S HA 0.567 0.542 4.470 -7.491 0.000 0.285 621 S C -1.213 173.198 174.600 -0.315 0.000 1.138 621 S CA -0.708 57.443 58.200 -0.081 0.000 0.855 621 S CB 1.347 64.561 63.200 0.022 0.000 1.136 621 S HN 0.507 nan 8.310 nan 0.000 0.484 622 Y N 0.000 120.344 120.300 0.074 0.000 2.660 622 Y HA 0.000 0.053 4.550 -7.494 0.000 0.201 622 Y CA 0.000 58.136 58.100 0.059 0.000 1.940 622 Y CB 0.000 38.484 38.460 0.041 0.000 1.050 622 Y HN 0.000 nan 8.280 nan 0.000 0.758