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 1z5v_1_A DATA FIRST_RESID 2 DATA SEQUENCE PREIITLQLG QCGNQIGFEF WKQLCAEHGI SPEAIVXXXX XXXTDRKDVF DATA SEQUENCE FYQADDEHYI PRAVLLDLEP RVIHSILNSP YAKLYNPENI YLSXXXXXXG DATA SEQUENCE NNWASGFSQG EKIHEDIFDI IDREADGSDS LEGFVLCHSI AGGTGSGLGS DATA SEQUENCE YLLERLNDRY PKKLVQTYSV FPNQXXXSDV VVQPYNSLLT LKRLTQNADC DATA SEQUENCE LVVLDNTALN RIATDRLHIQ NPSFSQINQL VSTIMSASTT TLRYPGYMNN DATA SEQUENCE DLIGLIASLI PTPRLHFLMT GYTPLTTDQX XXSVRKTTVL DVMRRLLQPK DATA SEQUENCE NVMVSTGXXX XTNHCYIAIL NIIQGEVDPT QVHKSLQRIR ERKLANFIPW DATA SEQUENCE GPASIQVALS RKSPYLXXXX RVSGLMMANH TSISSLFERT CRQYDKLRKR DATA SEQUENCE EAFLEQFRKE DMFKDNFDEM DTSREIVQQL IDEYHAATR 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 2 P HA 0.000 nan 4.420 nan 0.000 0.216 2 P C 0.000 177.280 177.300 -0.033 0.000 1.155 2 P CA 0.000 63.093 63.100 -0.012 0.000 0.800 2 P CB 0.000 31.699 31.700 -0.002 0.000 0.726 3 R N 0.751 121.214 120.500 -0.061 0.000 2.346 3 R HA 0.633 4.959 4.340 -0.022 0.000 0.311 3 R C -0.369 175.844 176.300 -0.145 0.000 0.983 3 R CA -0.226 55.817 56.100 -0.094 0.000 0.880 3 R CB 1.742 31.982 30.300 -0.100 0.000 1.100 3 R HN 0.524 nan 8.270 nan 0.000 0.453 4 E N 1.765 121.868 120.200 -0.162 0.000 2.283 4 E HA 0.462 4.799 4.350 -0.022 0.000 0.267 4 E C -0.290 176.113 176.600 -0.328 0.000 1.045 4 E CA -0.254 56.016 56.400 -0.218 0.000 0.884 4 E CB 1.329 30.935 29.700 -0.157 0.000 1.106 4 E HN 0.369 nan 8.360 nan 0.000 0.408 5 I N 2.661 122.991 120.570 -0.399 0.000 2.500 5 I HA 0.319 4.476 4.170 -0.022 0.000 0.286 5 I C -0.815 175.119 176.117 -0.306 0.000 1.063 5 I CA -0.491 60.545 61.300 -0.440 0.000 1.062 5 I CB 1.174 38.823 38.000 -0.585 0.000 1.223 5 I HN 0.296 nan 8.210 nan 0.000 0.435 6 I N 5.171 125.523 120.570 -0.364 0.000 2.385 6 I HA 0.330 4.486 4.170 -0.022 0.000 0.294 6 I C -0.020 176.119 176.117 0.037 0.000 0.988 6 I CA -0.205 61.006 61.300 -0.148 0.000 1.265 6 I CB 1.707 39.593 38.000 -0.189 0.000 1.388 6 I HN 0.489 nan 8.210 nan 0.000 0.480 7 T N 6.930 121.588 114.554 0.174 0.000 2.779 7 T HA 0.556 4.893 4.350 -0.022 0.000 0.280 7 T C -0.239 174.566 174.700 0.175 0.000 0.987 7 T CA -0.597 61.630 62.100 0.212 0.000 0.966 7 T CB 0.944 70.027 68.868 0.359 0.000 0.933 7 T HN 0.266 nan 8.240 nan 0.000 0.442 8 L N 3.466 124.750 121.223 0.103 0.000 2.296 8 L HA 0.489 4.816 4.340 -0.022 0.000 0.286 8 L C 0.131 177.023 176.870 0.037 0.000 1.023 8 L CA -0.811 54.048 54.840 0.033 0.000 0.812 8 L CB 1.152 43.179 42.059 -0.053 0.000 1.223 8 L HN 0.529 nan 8.230 nan 0.000 0.421 9 Q N 5.144 124.969 119.800 0.042 0.000 2.357 9 Q HA 0.614 4.940 4.340 -0.022 0.000 0.266 9 Q C -1.239 174.769 176.000 0.013 0.000 1.021 9 Q CA -0.399 55.433 55.803 0.049 0.000 0.784 9 Q CB 2.486 31.278 28.738 0.089 0.000 1.243 9 Q HN 0.547 nan 8.270 nan 0.000 0.465 10 L N 1.365 122.602 121.223 0.022 0.000 2.329 10 L HA 0.807 5.133 4.340 -0.022 0.000 0.279 10 L C 0.695 177.576 176.870 0.019 0.000 1.014 10 L CA -0.812 54.035 54.840 0.012 0.000 0.814 10 L CB 1.516 43.581 42.059 0.010 0.000 1.257 10 L HN 0.854 nan 8.230 nan 0.000 0.424 11 G N 1.484 110.283 108.800 -0.003 0.000 2.894 11 G HA2 -0.301 3.646 3.960 -0.022 0.000 0.247 11 G HA3 -0.301 3.646 3.960 -0.022 0.000 0.247 11 G C 0.277 175.164 174.900 -0.021 0.000 1.442 11 G CA 0.619 45.713 45.100 -0.010 0.000 0.897 11 G HN 0.889 nan 8.290 nan 0.000 0.550 12 Q N -0.906 118.878 119.800 -0.027 0.000 2.014 12 Q HA -0.233 4.094 4.340 -0.022 0.000 0.207 12 Q C 2.916 178.878 176.000 -0.062 0.000 0.993 12 Q CA 3.510 59.291 55.803 -0.037 0.000 0.850 12 Q CB -0.596 28.129 28.738 -0.021 0.000 0.916 12 Q HN 1.145 nan 8.270 nan 0.000 0.417 13 C N 0.165 119.404 119.300 -0.101 0.000 2.388 13 C HA -0.133 4.313 4.460 -0.022 0.000 0.277 13 C C 2.771 177.723 174.990 -0.063 0.000 1.210 13 C CA 1.656 60.585 59.018 -0.149 0.000 1.743 13 C CB -1.700 25.936 27.740 -0.174 0.000 2.047 13 C HN 0.803 nan 8.230 nan 0.000 0.458 14 G N 0.145 108.937 108.800 -0.013 0.000 2.476 14 G HA2 -0.265 3.682 3.960 -0.022 0.000 0.218 14 G HA3 -0.265 3.682 3.960 -0.022 0.000 0.218 14 G C 1.560 176.481 174.900 0.036 0.000 1.164 14 G CA 1.181 46.300 45.100 0.033 0.000 0.768 14 G HN 0.707 nan 8.290 nan 0.000 0.560 15 N N -0.051 118.660 118.700 0.019 0.000 2.409 15 N HA -0.009 4.717 4.740 -0.022 0.000 0.179 15 N C 2.292 177.850 175.510 0.080 0.000 1.032 15 N CA 0.505 53.577 53.050 0.037 0.000 0.898 15 N CB 0.049 38.523 38.487 -0.021 0.000 0.971 15 N HN 0.485 nan 8.380 nan 0.000 0.441 16 Q N 0.401 120.229 119.800 0.046 0.000 2.250 16 Q HA 0.084 4.411 4.340 -0.022 0.000 0.200 16 Q C 2.200 178.278 176.000 0.130 0.000 0.941 16 Q CA 0.469 56.324 55.803 0.087 0.000 0.872 16 Q CB 0.223 28.970 28.738 0.016 0.000 0.965 16 Q HN 0.478 nan 8.270 nan 0.000 0.480 17 I N -3.363 117.239 120.570 0.054 0.000 2.617 17 I HA 0.118 4.275 4.170 -0.022 0.000 0.256 17 I C 1.888 178.045 176.117 0.068 0.000 1.167 17 I CA 1.190 62.508 61.300 0.030 0.000 1.469 17 I CB -0.370 37.608 38.000 -0.037 0.000 1.098 17 I HN -0.022 nan 8.210 nan 0.000 0.436 18 G N 1.028 109.904 108.800 0.126 0.000 2.403 18 G HA2 -0.253 3.694 3.960 -0.022 0.000 0.216 18 G HA3 -0.253 3.694 3.960 -0.022 0.000 0.216 18 G C 1.464 176.596 174.900 0.387 0.000 1.154 18 G CA 0.654 45.887 45.100 0.222 0.000 0.784 18 G HN 0.454 nan 8.290 nan 0.000 0.538 19 F N 2.033 122.101 119.950 0.196 0.000 2.069 19 F HA -0.076 4.438 4.527 -0.023 0.000 0.298 19 F C 2.577 178.425 175.800 0.081 0.000 1.113 19 F CA 1.844 59.959 58.000 0.193 0.000 1.214 19 F CB -0.057 39.000 39.000 0.095 0.000 0.978 19 F HN 0.087 nan 8.300 nan 0.000 0.474 20 E N -0.092 120.088 120.200 -0.034 0.000 2.110 20 E HA -0.235 4.101 4.350 -0.022 0.000 0.193 20 E C 2.160 178.630 176.600 -0.216 0.000 0.988 20 E CA 1.225 57.512 56.400 -0.188 0.000 0.804 20 E CB -1.133 28.547 29.700 -0.034 0.000 0.745 20 E HN 0.520 nan 8.360 nan 0.000 0.458 21 F N -0.031 119.739 119.950 -0.301 0.000 2.095 21 F HA -0.190 4.325 4.527 -0.021 0.000 0.298 21 F C 1.835 177.320 175.800 -0.525 0.000 1.104 21 F CA 1.474 59.190 58.000 -0.473 0.000 1.232 21 F CB -0.509 38.116 39.000 -0.625 0.000 0.987 21 F HN -0.005 nan 8.300 nan 0.000 0.475 22 W N 0.650 121.735 121.300 -0.358 0.000 2.584 22 W HA 0.027 4.673 4.660 -0.024 0.000 0.264 22 W C 2.492 178.727 176.519 -0.473 0.000 1.264 22 W CA 0.647 57.736 57.345 -0.425 0.000 1.306 22 W CB -0.314 29.023 29.460 -0.205 0.000 1.110 22 W HN -0.088 nan 8.180 nan 0.000 0.606 23 K N 0.477 120.606 120.400 -0.452 0.000 2.103 23 K HA -0.214 4.093 4.320 -0.022 0.000 0.204 23 K C 2.055 178.457 176.600 -0.331 0.000 1.052 23 K CA 1.326 57.253 56.287 -0.599 0.000 0.945 23 K CB 0.036 32.048 32.500 -0.814 0.000 0.722 23 K HN 0.018 nan 8.250 nan 0.000 0.443 24 Q N 0.721 120.301 119.800 -0.367 0.000 2.062 24 Q HA -0.046 4.280 4.340 -0.022 0.000 0.196 24 Q C 1.893 177.689 176.000 -0.340 0.000 0.967 24 Q CA 1.189 56.797 55.803 -0.325 0.000 0.832 24 Q CB -0.221 28.308 28.738 -0.348 0.000 0.899 24 Q HN 0.199 nan 8.270 nan 0.000 0.442 25 L N -0.265 120.663 121.223 -0.491 0.000 2.079 25 L HA -0.204 4.123 4.340 -0.022 0.000 0.210 25 L C 2.471 179.309 176.870 -0.053 0.000 1.081 25 L CA 1.381 56.016 54.840 -0.341 0.000 0.752 25 L CB -0.979 40.803 42.059 -0.461 0.000 0.896 25 L HN 0.372 nan 8.230 nan 0.000 0.433 26 C N -1.323 117.984 119.300 0.012 0.000 2.413 26 C HA -0.228 4.219 4.460 -0.022 0.000 0.276 26 C C 3.002 177.921 174.990 -0.117 0.000 1.236 26 C CA 0.743 59.771 59.018 0.016 0.000 1.735 26 C CB -1.209 26.584 27.740 0.088 0.000 2.031 26 C HN 0.650 nan 8.230 nan 0.000 0.474 27 A N 0.090 122.826 122.820 -0.140 0.000 1.902 27 A HA -0.213 4.094 4.320 -0.022 0.000 0.217 27 A C 2.009 179.428 177.584 -0.275 0.000 1.181 27 A CA 1.791 53.716 52.037 -0.186 0.000 0.623 27 A CB -0.555 18.367 19.000 -0.131 0.000 0.818 27 A HN 0.751 nan 8.150 nan 0.000 0.443 28 E N -1.018 119.043 120.200 -0.232 0.000 2.107 28 E HA -0.129 4.208 4.350 -0.022 0.000 0.191 28 E C 0.918 177.369 176.600 -0.248 0.000 0.982 28 E CA 0.915 57.195 56.400 -0.199 0.000 0.809 28 E CB -0.190 29.372 29.700 -0.230 0.000 0.756 28 E HN 0.702 nan 8.360 nan 0.000 0.459 29 H N -0.466 118.543 119.070 -0.100 0.000 2.519 29 H HA 0.168 4.711 4.556 -0.022 0.000 0.289 29 H C 0.965 176.124 175.328 -0.282 0.000 1.040 29 H CA 0.610 56.582 56.048 -0.127 0.000 1.165 29 H CB 0.497 30.112 29.762 -0.244 0.000 1.462 29 H HN 0.272 nan 8.280 nan 0.000 0.555 30 G N 1.640 110.180 108.800 -0.433 0.000 2.283 30 G HA2 -0.287 3.659 3.960 -0.022 0.000 0.280 30 G HA3 -0.287 3.659 3.960 -0.022 0.000 0.280 30 G C 0.221 174.964 174.900 -0.263 0.000 1.029 30 G CA 0.258 45.068 45.100 -0.483 0.000 0.840 30 G HN 0.391 nan 8.290 nan 0.000 0.505 31 I N 0.869 121.292 120.570 -0.244 0.000 2.498 31 I HA 0.461 4.618 4.170 -0.022 0.000 0.301 31 I C 1.122 177.174 176.117 -0.109 0.000 0.984 31 I CA -0.362 60.823 61.300 -0.191 0.000 1.204 31 I CB 1.758 39.569 38.000 -0.314 0.000 1.362 31 I HN 0.333 nan 8.210 nan 0.000 0.471 32 S N 4.530 120.191 115.700 -0.066 0.000 2.738 32 S HA 0.416 4.873 4.470 -0.022 0.000 0.284 32 S C -2.157 172.432 174.600 -0.018 0.000 1.146 32 S CA -1.317 56.854 58.200 -0.048 0.000 0.997 32 S CB 0.986 64.151 63.200 -0.058 0.000 1.081 32 S HN 0.372 nan 8.310 nan 0.000 0.553 33 P HA 0.136 nan 4.420 nan 0.000 0.249 33 P C 0.722 177.985 177.300 -0.062 0.000 1.227 33 P CA 1.754 64.739 63.100 -0.192 0.000 0.753 33 P CB -0.420 30.953 31.700 -0.545 0.000 0.966 34 E N -1.960 118.226 120.200 -0.024 0.000 3.760 34 E HA 0.643 4.980 4.350 -0.022 0.000 0.260 34 E C -0.097 176.513 176.600 0.017 0.000 1.261 34 E CA 0.439 56.837 56.400 -0.003 0.000 1.765 34 E CB 0.189 29.878 29.700 -0.017 0.000 1.932 34 E HN 0.048 nan 8.360 nan 0.000 0.787 35 A N -0.058 122.764 122.820 0.004 0.000 2.512 35 A HA 0.663 4.970 4.320 -0.022 0.000 0.294 35 A C -0.004 177.590 177.584 0.017 0.000 1.054 35 A CA 0.108 52.161 52.037 0.027 0.000 0.756 35 A CB 0.163 nan 19.000 nan 0.000 1.293 35 A HN 1.800 nan 8.150 nan 0.000 0.395 36 I N -0.219 120.367 120.570 0.026 0.000 5.827 36 I HA -0.118 4.039 4.170 -0.022 0.000 0.126 36 I C 0.097 176.204 176.117 -0.017 0.000 1.293 36 I CA 1.258 62.563 61.300 0.008 0.000 2.569 36 I CB 0.405 38.451 38.000 0.075 0.000 2.341 36 I HN 1.637 nan 8.210 nan 0.000 0.305 46 D N 0.210 120.712 120.400 0.171 0.000 2.490 46 D HA 0.751 5.378 4.640 -0.022 0.000 0.232 46 D C 0.136 176.545 176.300 0.182 0.000 1.053 46 D CA -0.750 53.431 54.000 0.301 0.000 0.914 46 D CB 1.317 42.440 40.800 0.538 0.000 1.431 46 D HN 0.834 nan 8.370 nan 0.000 0.483 47 R N 0.884 121.483 120.500 0.166 0.000 2.235 47 R HA 0.228 4.555 4.340 -0.022 0.000 0.338 47 R C 0.723 177.009 176.300 -0.022 0.000 1.087 47 R CA -0.525 55.618 56.100 0.072 0.000 0.948 47 R CB -0.417 29.930 30.300 0.078 0.000 1.099 47 R HN 0.524 nan 8.270 nan 0.000 0.483 48 K N 0.466 120.807 120.400 -0.098 0.000 2.262 48 K HA -0.038 4.269 4.320 -0.022 0.000 0.200 48 K C 0.614 177.273 176.600 0.099 0.000 1.049 48 K CA 0.852 57.014 56.287 -0.209 0.000 0.979 48 K CB 0.588 32.817 32.500 -0.452 0.000 0.773 48 K HN 0.699 nan 8.250 nan 0.000 0.474 49 D N 1.272 121.736 120.400 0.106 0.000 2.133 49 D HA -0.164 4.462 4.640 -0.022 0.000 0.195 49 D C 2.009 178.372 176.300 0.104 0.000 0.997 49 D CA 1.210 55.296 54.000 0.143 0.000 0.840 49 D CB -0.337 40.519 40.800 0.093 0.000 0.947 49 D HN -0.047 nan 8.370 nan 0.000 0.452 50 V N 0.444 120.385 119.914 0.046 0.000 2.250 50 V HA -0.269 3.838 4.120 -0.022 0.000 0.250 50 V C 2.059 178.018 176.094 -0.226 0.000 1.060 50 V CA 1.734 63.964 62.300 -0.117 0.000 1.030 50 V CB -0.588 31.161 31.823 -0.124 0.000 0.643 50 V HN 0.109 nan 8.190 nan 0.000 0.445 51 F N -2.928 117.086 119.950 0.106 0.000 2.720 51 F HA 0.414 4.928 4.527 -0.023 0.000 0.301 51 F C 0.674 176.495 175.800 0.035 0.000 1.103 51 F CA -0.312 57.763 58.000 0.126 0.000 1.291 51 F CB 0.302 39.371 39.000 0.115 0.000 1.086 51 F HN -0.010 nan 8.300 nan 0.000 0.592 52 F N -1.380 118.754 119.950 0.306 0.000 2.538 52 F HA 0.425 4.940 4.527 -0.021 0.000 0.325 52 F C -0.532 175.448 175.800 0.299 0.000 1.066 52 F CA -1.499 56.659 58.000 0.263 0.000 0.946 52 F CB 1.225 40.325 39.000 0.168 0.000 1.199 52 F HN -0.291 nan 8.300 nan 0.000 0.473 53 Y N 2.183 122.709 120.300 0.377 0.000 2.446 53 Y HA 0.334 4.872 4.550 -0.021 0.000 0.338 53 Y C -0.548 175.437 175.900 0.142 0.000 1.055 53 Y CA -1.341 56.882 58.100 0.205 0.000 1.101 53 Y CB 1.356 39.866 38.460 0.083 0.000 1.221 53 Y HN 0.613 nan 8.280 nan 0.000 0.460 54 Q N 4.435 123.670 119.800 -0.943 0.000 2.296 54 Q HA 0.571 4.898 4.340 -0.022 0.000 0.263 54 Q C -0.508 174.937 176.000 -0.926 0.000 1.026 54 Q CA -0.439 54.813 55.803 -0.919 0.000 0.912 54 Q CB 0.830 29.154 28.738 -0.689 0.000 1.198 54 Q HN 0.758 nan 8.270 nan 0.000 0.407 55 A N 2.951 125.461 122.820 -0.517 0.000 2.407 55 A HA 0.007 4.314 4.320 -0.022 0.000 0.248 55 A C 0.515 177.981 177.584 -0.196 0.000 1.082 55 A CA -0.423 51.479 52.037 -0.224 0.000 0.785 55 A CB 0.358 19.284 19.000 -0.123 0.000 1.020 55 A HN 0.914 nan 8.150 nan 0.000 0.489 56 D N 0.515 120.875 120.400 -0.067 0.000 2.368 56 D HA -0.058 4.569 4.640 -0.022 0.000 0.250 56 D C -0.387 175.877 176.300 -0.059 0.000 1.142 56 D CA 0.858 54.830 54.000 -0.047 0.000 0.925 56 D CB -0.010 40.798 40.800 0.013 0.000 0.896 56 D HN 0.595 nan 8.370 nan 0.000 0.525 57 D N -1.070 119.276 120.400 -0.089 0.000 2.865 57 D HA 0.071 4.698 4.640 -0.022 0.000 0.347 57 D C 0.633 176.865 176.300 -0.113 0.000 1.498 57 D CA 0.141 54.094 54.000 -0.078 0.000 0.787 57 D CB -0.435 40.334 40.800 -0.050 0.000 1.190 57 D HN 0.166 nan 8.370 nan 0.000 0.445 58 E N -0.995 119.107 120.200 -0.163 0.000 2.735 58 E HA -0.277 4.059 4.350 -0.022 0.000 0.261 58 E C 0.164 176.615 176.600 -0.248 0.000 1.137 58 E CA 2.076 58.352 56.400 -0.206 0.000 0.754 58 E CB -2.757 26.868 29.700 -0.124 0.000 1.352 58 E HN 1.017 nan 8.360 nan 0.000 0.430 59 H N -2.733 116.182 119.070 -0.257 0.000 2.630 59 H HA 0.872 5.415 4.556 -0.022 0.000 0.343 59 H C -0.268 174.846 175.328 -0.357 0.000 1.232 59 H CA -0.327 55.600 56.048 -0.201 0.000 1.294 59 H CB 1.090 30.801 29.762 -0.085 0.000 1.746 59 H HN 0.524 nan 8.280 nan 0.000 0.593 60 Y N -0.265 119.999 120.300 -0.060 0.000 2.468 60 Y HA 0.561 5.098 4.550 -0.023 0.000 0.342 60 Y C 0.299 176.253 175.900 0.089 0.000 1.021 60 Y CA -0.386 57.699 58.100 -0.024 0.000 1.079 60 Y CB 1.799 40.152 38.460 -0.178 0.000 1.226 60 Y HN 0.941 nan 8.280 nan 0.000 0.460 61 I N 1.183 122.000 120.570 0.412 0.000 2.722 61 I HA 0.605 4.762 4.170 -0.022 0.000 0.295 61 I C -3.108 173.138 176.117 0.215 0.000 1.161 61 I CA -2.737 58.717 61.300 0.256 0.000 1.032 61 I CB 2.627 40.712 38.000 0.142 0.000 1.244 61 I HN 0.227 nan 8.210 nan 0.000 0.421 62 P HA 0.241 nan 4.420 nan 0.000 0.279 62 P C -0.922 176.089 177.300 -0.482 0.000 1.239 62 P CA -0.403 62.124 63.100 -0.954 0.000 0.789 62 P CB 0.805 31.145 31.700 -2.267 0.000 0.933 63 R N 1.733 122.087 120.500 -0.243 0.000 4.154 63 R HA 0.453 4.779 4.340 -0.022 0.000 0.186 63 R C 0.351 176.671 176.300 0.033 0.000 1.750 63 R CA -0.119 55.954 56.100 -0.044 0.000 1.431 63 R CB -0.415 29.905 30.300 0.033 0.000 1.383 63 R HN 0.474 nan 8.270 nan 0.000 0.788 64 A N 0.631 123.409 122.820 -0.070 0.000 2.380 64 A HA 0.684 4.991 4.320 -0.022 0.000 0.315 64 A C -0.725 176.888 177.584 0.048 0.000 1.101 64 A CA -0.674 51.413 52.037 0.084 0.000 0.771 64 A CB 1.786 20.794 19.000 0.013 0.000 1.287 64 A HN 0.214 nan 8.150 nan 0.000 0.436 65 V N 2.713 122.670 119.914 0.072 0.000 2.419 65 V HA 0.271 4.378 4.120 -0.022 0.000 0.287 65 V C -0.677 175.413 176.094 -0.006 0.000 1.017 65 V CA -0.193 62.111 62.300 0.007 0.000 0.844 65 V CB 1.132 32.938 31.823 -0.028 0.000 1.011 65 V HN 0.720 nan 8.190 nan 0.000 0.429 66 L N 6.255 127.450 121.223 -0.047 0.000 2.283 66 L HA 0.549 4.875 4.340 -0.022 0.000 0.287 66 L C -0.627 176.211 176.870 -0.052 0.000 1.073 66 L CA -0.076 54.717 54.840 -0.079 0.000 0.822 66 L CB 0.565 42.510 42.059 -0.190 0.000 1.186 66 L HN 0.425 nan 8.230 nan 0.000 0.436 67 L N 3.871 125.073 121.223 -0.035 0.000 2.349 67 L HA 0.579 4.906 4.340 -0.022 0.000 0.278 67 L C -0.809 176.052 176.870 -0.015 0.000 0.996 67 L CA -0.261 54.576 54.840 -0.005 0.000 0.825 67 L CB 2.091 44.135 42.059 -0.026 0.000 1.243 67 L HN 0.507 nan 8.230 nan 0.000 0.412 68 D N 1.818 122.211 120.400 -0.012 0.000 2.602 68 D HA 0.412 5.038 4.640 -0.022 0.000 0.236 68 D C -0.167 176.122 176.300 -0.018 0.000 1.209 68 D CA -0.486 53.497 54.000 -0.029 0.000 0.831 68 D CB 2.457 43.219 40.800 -0.064 0.000 1.478 68 D HN 0.308 nan 8.370 nan 0.000 0.438 69 L N 0.742 121.956 121.223 -0.016 0.000 2.667 69 L HA 0.365 4.692 4.340 -0.022 0.000 0.232 69 L C 0.543 177.402 176.870 -0.018 0.000 1.138 69 L CA 0.147 54.982 54.840 -0.009 0.000 0.921 69 L CB 0.248 42.305 42.059 -0.004 0.000 1.180 69 L HN 0.304 nan 8.230 nan 0.000 0.487 70 E N 0.577 120.761 120.200 -0.028 0.000 2.343 70 E HA 0.228 4.565 4.350 -0.022 0.000 0.278 70 E C -2.094 174.489 176.600 -0.028 0.000 0.910 70 E CA -1.557 54.833 56.400 -0.017 0.000 0.757 70 E CB 2.832 32.530 29.700 -0.004 0.000 1.218 70 E HN -0.251 nan 8.360 nan 0.000 0.435 71 P HA -0.133 nan 4.420 nan 0.000 0.222 71 P C 1.427 178.807 177.300 0.134 0.000 1.153 71 P CA 1.036 64.182 63.100 0.076 0.000 0.798 71 P CB 0.132 31.989 31.700 0.262 0.000 0.796 72 R N 1.005 121.557 120.500 0.087 0.000 2.168 72 R HA -0.203 4.124 4.340 -0.022 0.000 0.242 72 R C 2.507 178.826 176.300 0.031 0.000 1.123 72 R CA 2.872 59.009 56.100 0.063 0.000 0.928 72 R CB -2.404 27.914 30.300 0.030 0.000 0.873 72 R HN 0.185 nan 8.270 nan 0.000 0.434 73 V N 0.882 120.786 119.914 -0.016 0.000 2.358 73 V HA -0.155 3.952 4.120 -0.022 0.000 0.246 73 V C 2.624 178.656 176.094 -0.104 0.000 1.047 73 V CA 1.990 64.257 62.300 -0.054 0.000 1.035 73 V CB -0.517 31.274 31.823 -0.054 0.000 0.658 73 V HN 0.574 nan 8.190 nan 0.000 0.452 74 I N -0.503 119.975 120.570 -0.153 0.000 2.361 74 I HA -0.213 3.944 4.170 -0.022 0.000 0.251 74 I C 2.482 178.465 176.117 -0.223 0.000 1.133 74 I CA 1.307 62.465 61.300 -0.236 0.000 1.413 74 I CB -0.590 37.216 38.000 -0.324 0.000 1.073 74 I HN 0.392 nan 8.210 nan 0.000 0.424 75 H N 0.383 119.406 119.070 -0.077 0.000 2.524 75 H HA 0.040 4.582 4.556 -0.022 0.000 0.282 75 H C 2.551 177.842 175.328 -0.062 0.000 1.016 75 H CA 1.235 57.247 56.048 -0.060 0.000 1.270 75 H CB -0.066 29.666 29.762 -0.049 0.000 1.394 75 H HN 0.420 nan 8.280 nan 0.000 0.568 76 S N 1.124 116.831 115.700 0.012 0.000 2.355 76 S HA -0.050 4.407 4.470 -0.022 0.000 0.222 76 S C 2.297 176.829 174.600 -0.113 0.000 1.031 76 S CA 0.819 58.986 58.200 -0.055 0.000 0.993 76 S CB -0.274 62.864 63.200 -0.103 0.000 0.859 76 S HN 0.159 nan 8.310 nan 0.000 0.453 77 I N 1.069 121.535 120.570 -0.173 0.000 2.226 77 I HA -0.190 3.967 4.170 -0.022 0.000 0.245 77 I C 2.161 178.305 176.117 0.044 0.000 1.100 77 I CA 0.875 62.078 61.300 -0.160 0.000 1.374 77 I CB -0.210 37.693 38.000 -0.162 0.000 1.057 77 I HN 0.322 nan 8.210 nan 0.000 0.413 78 L N 0.690 121.931 121.223 0.030 0.000 2.141 78 L HA -0.183 4.144 4.340 -0.022 0.000 0.209 78 L C 2.191 179.117 176.870 0.094 0.000 1.094 78 L CA 1.527 56.420 54.840 0.087 0.000 0.763 78 L CB -1.020 41.088 42.059 0.081 0.000 0.908 78 L HN 0.449 nan 8.230 nan 0.000 0.437 79 N N -0.286 118.457 118.700 0.071 0.000 2.346 79 N HA 0.169 4.896 4.740 -0.022 0.000 0.225 79 N C 0.516 176.059 175.510 0.056 0.000 1.144 79 N CA 0.500 53.584 53.050 0.055 0.000 0.837 79 N CB 0.006 38.515 38.487 0.036 0.000 1.069 79 N HN 0.413 nan 8.380 nan 0.000 0.487 80 S N -1.634 114.120 115.700 0.089 0.000 2.806 80 S HA 0.664 5.121 4.470 -0.022 0.000 0.315 80 S C -2.340 172.352 174.600 0.153 0.000 1.127 80 S CA -1.006 57.272 58.200 0.130 0.000 0.918 80 S CB 1.483 64.777 63.200 0.157 0.000 1.240 80 S HN -0.035 nan 8.310 nan 0.000 0.552 81 P HA 0.173 nan 4.420 nan 0.000 0.242 81 P C -0.451 176.707 177.300 -0.238 0.000 1.197 81 P CA 0.817 63.888 63.100 -0.049 0.000 0.765 81 P CB -0.248 31.386 31.700 -0.111 0.000 0.936 82 Y N -2.293 118.165 120.300 0.263 0.000 2.660 82 Y HA 0.423 4.960 4.550 -0.022 0.000 0.254 82 Y C 2.031 178.100 175.900 0.282 0.000 1.176 82 Y CA -0.312 57.943 58.100 0.259 0.000 1.195 82 Y CB -0.389 38.304 38.460 0.389 0.000 1.190 82 Y HN -0.114 nan 8.280 nan 0.000 0.535 83 A N 0.509 123.511 122.820 0.304 0.000 1.908 83 A HA -0.167 4.140 4.320 -0.022 0.000 0.218 83 A C 2.191 179.896 177.584 0.202 0.000 1.181 83 A CA 1.530 53.721 52.037 0.256 0.000 0.627 83 A CB -0.131 18.960 19.000 0.153 0.000 0.818 83 A HN 0.120 nan 8.150 nan 0.000 0.445 84 K N -0.705 119.765 120.400 0.117 0.000 2.288 84 K HA -0.013 4.294 4.320 -0.022 0.000 0.201 84 K C 1.779 178.409 176.600 0.051 0.000 1.048 84 K CA 0.760 57.088 56.287 0.069 0.000 0.956 84 K CB -0.548 31.968 32.500 0.026 0.000 0.746 84 K HN 0.477 nan 8.250 nan 0.000 0.461 85 L N 0.438 121.681 121.223 0.032 0.000 2.005 85 L HA -0.093 4.234 4.340 -0.022 0.000 0.207 85 L C 0.509 177.272 176.870 -0.179 0.000 1.072 85 L CA 1.360 56.148 54.840 -0.087 0.000 0.744 85 L CB -0.627 41.331 42.059 -0.169 0.000 0.895 85 L HN 0.000 nan 8.230 nan 0.000 0.433 86 Y N 0.691 121.008 120.300 0.027 0.000 2.578 86 Y HA -0.041 4.497 4.550 -0.021 0.000 0.339 86 Y C 0.987 176.874 175.900 -0.021 0.000 1.231 86 Y CA 0.451 58.523 58.100 -0.046 0.000 1.461 86 Y CB -0.267 38.172 38.460 -0.035 0.000 1.323 86 Y HN 0.262 nan 8.280 nan 0.000 0.590 87 N N 4.876 123.644 118.700 0.114 0.000 2.401 87 N HA 0.065 4.791 4.740 -0.022 0.000 0.255 87 N C -1.636 173.919 175.510 0.074 0.000 1.110 87 N CA -1.548 51.544 53.050 0.070 0.000 0.949 87 N CB 0.823 39.330 38.487 0.032 0.000 1.110 87 N HN 0.345 nan 8.380 nan 0.000 0.490 88 P HA -0.199 nan 4.420 nan 0.000 0.217 88 P C 0.082 177.402 177.300 0.032 0.000 1.148 88 P CA 1.528 64.658 63.100 0.050 0.000 0.834 88 P CB 0.242 31.970 31.700 0.047 0.000 0.783 89 E N -0.882 119.335 120.200 0.029 0.000 2.511 89 E HA -0.027 4.309 4.350 -0.022 0.000 0.196 89 E C 0.955 177.568 176.600 0.021 0.000 1.066 89 E CA 0.289 56.704 56.400 0.025 0.000 0.871 89 E CB -0.703 29.007 29.700 0.016 0.000 0.863 89 E HN 0.297 nan 8.360 nan 0.000 0.520 90 N N -0.168 118.541 118.700 0.015 0.000 2.235 90 N HA 0.190 4.917 4.740 -0.022 0.000 0.209 90 N C -0.676 174.834 175.510 0.000 0.000 1.122 90 N CA 0.069 53.120 53.050 0.003 0.000 0.845 90 N CB 0.629 39.114 38.487 -0.003 0.000 1.004 90 N HN 0.089 nan 8.380 nan 0.000 0.499 91 I N 0.634 121.206 120.570 0.003 0.000 2.339 91 I HA 0.242 4.399 4.170 -0.022 0.000 0.290 91 I C -1.152 174.972 176.117 0.012 0.000 0.994 91 I CA -0.870 60.410 61.300 -0.033 0.000 1.191 91 I CB 1.003 38.953 38.000 -0.083 0.000 1.343 91 I HN -0.006 nan 8.210 nan 0.000 0.458 92 Y N 7.096 127.333 120.300 -0.105 0.000 2.406 92 Y HA 0.658 5.195 4.550 -0.022 0.000 0.340 92 Y C -1.487 174.357 175.900 -0.094 0.000 0.975 92 Y CA -0.698 57.348 58.100 -0.090 0.000 1.056 92 Y CB 1.595 40.004 38.460 -0.086 0.000 1.210 92 Y HN 0.363 nan 8.280 nan 0.000 0.448 93 L N 5.330 126.044 121.223 -0.849 0.000 2.381 93 L HA 0.708 5.035 4.340 -0.022 0.000 0.274 93 L C 0.441 176.995 176.870 -0.526 0.000 0.988 93 L CA -0.485 54.067 54.840 -0.479 0.000 0.824 93 L CB 1.751 43.611 42.059 -0.332 0.000 1.263 93 L HN 0.881 nan 8.230 nan 0.000 0.410 102 N N -1.018 117.702 118.700 0.034 0.000 2.879 102 N HA -0.162 4.565 4.740 -0.022 0.000 0.156 102 N C -0.723 174.827 175.510 0.065 0.000 1.554 102 N CA 0.742 53.815 53.050 0.039 0.000 2.252 102 N CB -1.423 37.079 38.487 0.025 0.000 1.232 102 N HN 0.356 nan 8.380 nan 0.000 0.861 103 N N 0.065 118.815 118.700 0.084 0.000 2.361 103 N HA 0.293 5.020 4.740 -0.022 0.000 0.302 103 N C 0.492 176.124 175.510 0.203 0.000 1.074 103 N CA -0.195 52.939 53.050 0.141 0.000 0.850 103 N CB 0.855 39.418 38.487 0.127 0.000 1.228 103 N HN 0.330 nan 8.380 nan 0.000 0.491 104 W N 4.054 125.380 121.300 0.044 0.000 2.333 104 W HA -0.177 4.442 4.660 -0.068 0.000 0.316 104 W C 1.797 178.375 176.519 0.098 0.000 1.215 104 W CA 2.647 60.030 57.345 0.063 0.000 1.278 104 W CB -0.290 29.187 29.460 0.029 0.000 1.154 104 W HN 0.721 nan 8.180 nan 0.000 0.486 105 A N -0.119 123.093 122.820 0.654 0.000 1.873 105 A HA -0.354 3.953 4.320 -0.022 0.000 0.218 105 A C 2.075 179.764 177.584 0.176 0.000 1.193 105 A CA 2.844 55.161 52.037 0.467 0.000 0.629 105 A CB -1.758 17.430 19.000 0.313 0.000 0.826 105 A HN 0.407 nan 8.150 nan 0.000 0.447 106 S N -0.762 115.014 115.700 0.127 0.000 2.400 106 S HA -0.028 4.428 4.470 -0.022 0.000 0.232 106 S C 1.935 176.532 174.600 -0.005 0.000 1.025 106 S CA 1.845 60.079 58.200 0.055 0.000 0.993 106 S CB -0.648 62.584 63.200 0.054 0.000 0.808 106 S HN 0.732 nan 8.310 nan 0.000 0.478 107 G N -0.274 108.502 108.800 -0.041 0.000 2.396 107 G HA2 -0.046 3.900 3.960 -0.022 0.000 0.214 107 G HA3 -0.046 3.900 3.960 -0.022 0.000 0.214 107 G C 1.232 175.989 174.900 -0.238 0.000 1.166 107 G CA 0.510 45.530 45.100 -0.133 0.000 0.793 107 G HN 0.569 nan 8.290 nan 0.000 0.533 108 F N 1.564 121.198 119.950 -0.528 0.000 2.216 108 F HA -0.048 4.502 4.527 0.039 0.000 0.300 108 F C 2.845 178.397 175.800 -0.413 0.000 1.085 108 F CA 1.523 59.167 58.000 -0.593 0.000 1.326 108 F CB 0.066 38.508 39.000 -0.931 0.000 1.027 108 F HN 0.204 nan 8.300 nan 0.000 0.497 109 S N -0.106 115.573 115.700 -0.036 0.000 2.338 109 S HA -0.251 4.206 4.470 -0.022 0.000 0.218 109 S C 1.961 176.454 174.600 -0.178 0.000 1.032 109 S CA 1.517 59.686 58.200 -0.052 0.000 0.999 109 S CB -0.398 62.811 63.200 0.015 0.000 0.905 109 S HN 0.549 nan 8.310 nan 0.000 0.439 110 Q N -0.045 119.670 119.800 -0.141 0.000 2.368 110 Q HA -0.039 4.288 4.340 -0.022 0.000 0.210 110 Q C 1.937 177.825 176.000 -0.187 0.000 0.982 110 Q CA 1.106 56.837 55.803 -0.120 0.000 0.884 110 Q CB -0.478 28.223 28.738 -0.063 0.000 0.933 110 Q HN 0.695 nan 8.270 nan 0.000 0.460 111 G N 0.492 109.075 108.800 -0.362 0.000 2.404 111 G HA2 -0.227 3.719 3.960 -0.022 0.000 0.214 111 G HA3 -0.227 3.719 3.960 -0.022 0.000 0.214 111 G C 1.039 175.616 174.900 -0.539 0.000 1.189 111 G CA 0.384 45.231 45.100 -0.420 0.000 0.789 111 G HN 0.310 nan 8.290 nan 0.000 0.533 112 E N 0.788 120.414 120.200 -0.957 0.000 2.118 112 E HA -0.150 4.187 4.350 -0.022 0.000 0.195 112 E C 2.434 178.938 176.600 -0.159 0.000 0.992 112 E CA 0.957 57.022 56.400 -0.559 0.000 0.804 112 E CB -0.145 29.294 29.700 -0.435 0.000 0.741 112 E HN 0.427 nan 8.360 nan 0.000 0.458 113 K N 0.386 120.698 120.400 -0.147 0.000 2.103 113 K HA -0.011 4.295 4.320 -0.022 0.000 0.204 113 K C 1.939 178.534 176.600 -0.007 0.000 1.052 113 K CA 0.850 57.106 56.287 -0.051 0.000 0.945 113 K CB 0.097 32.573 32.500 -0.039 0.000 0.722 113 K HN 0.141 nan 8.250 nan 0.000 0.443 114 I N 0.008 120.564 120.570 -0.023 0.000 3.883 114 I HA -0.031 4.126 4.170 -0.022 0.000 0.326 114 I C 1.750 177.862 176.117 -0.007 0.000 1.283 114 I CA -0.060 61.214 61.300 -0.043 0.000 1.161 114 I CB -0.335 37.611 38.000 -0.089 0.000 1.012 114 I HN 0.180 nan 8.210 nan 0.000 0.421 115 H N 2.364 121.455 119.070 0.035 0.000 2.394 115 H HA -0.298 4.244 4.556 -0.022 0.000 0.289 115 H C 2.127 177.567 175.328 0.186 0.000 1.082 115 H CA 2.599 58.775 56.048 0.212 0.000 1.140 115 H CB 0.241 30.117 29.762 0.190 0.000 1.390 115 H HN 0.133 nan 8.280 nan 0.000 0.579 116 E N 0.205 120.610 120.200 0.342 0.000 2.108 116 E HA -0.212 4.125 4.350 -0.022 0.000 0.203 116 E C 2.164 178.786 176.600 0.038 0.000 1.022 116 E CA 1.679 58.203 56.400 0.207 0.000 0.823 116 E CB -0.592 29.192 29.700 0.140 0.000 0.744 116 E HN 0.625 nan 8.360 nan 0.000 0.456 117 D N 0.070 120.425 120.400 -0.076 0.000 2.104 117 D HA -0.097 4.530 4.640 -0.022 0.000 0.194 117 D C 2.129 178.225 176.300 -0.340 0.000 0.994 117 D CA 0.707 54.572 54.000 -0.225 0.000 0.830 117 D CB -0.260 40.297 40.800 -0.404 0.000 0.959 117 D HN 0.168 nan 8.370 nan 0.000 0.452 118 I N -0.374 119.944 120.570 -0.420 0.000 2.179 118 I HA -0.265 3.892 4.170 -0.022 0.000 0.242 118 I C 1.742 177.584 176.117 -0.457 0.000 1.088 118 I CA 0.889 61.904 61.300 -0.475 0.000 1.357 118 I CB -0.207 37.493 38.000 -0.500 0.000 1.051 118 I HN -0.038 nan 8.210 nan 0.000 0.409 119 F N 0.807 120.595 119.950 -0.270 0.000 2.546 119 F HA -0.184 4.329 4.527 -0.024 0.000 0.298 119 F C 2.035 177.775 175.800 -0.099 0.000 1.120 119 F CA 1.325 59.206 58.000 -0.197 0.000 1.456 119 F CB -0.515 38.324 39.000 -0.267 0.000 1.088 119 F HN 0.169 nan 8.300 nan 0.000 0.572 120 D N 0.567 120.973 120.400 0.009 0.000 2.144 120 D HA -0.166 4.461 4.640 -0.022 0.000 0.200 120 D C 2.040 178.331 176.300 -0.014 0.000 0.978 120 D CA 1.382 55.391 54.000 0.015 0.000 0.833 120 D CB -0.077 40.723 40.800 -0.000 0.000 0.961 120 D HN 0.304 nan 8.370 nan 0.000 0.470 121 I N -0.052 120.476 120.570 -0.071 0.000 2.333 121 I HA -0.106 4.051 4.170 -0.022 0.000 0.246 121 I C 2.264 178.337 176.117 -0.073 0.000 1.106 121 I CA 0.502 61.760 61.300 -0.070 0.000 1.411 121 I CB -0.123 37.825 38.000 -0.087 0.000 1.082 121 I HN 0.077 nan 8.210 nan 0.000 0.420 122 I N 0.889 121.379 120.570 -0.134 0.000 2.252 122 I HA -0.273 3.883 4.170 -0.022 0.000 0.245 122 I C 1.921 178.079 176.117 0.068 0.000 1.102 122 I CA 1.392 62.633 61.300 -0.099 0.000 1.385 122 I CB -0.465 37.334 38.000 -0.334 0.000 1.064 122 I HN 0.219 nan 8.210 nan 0.000 0.414 123 D N 0.409 120.896 120.400 0.146 0.000 2.178 123 D HA -0.169 4.457 4.640 -0.022 0.000 0.202 123 D C 2.148 178.519 176.300 0.119 0.000 0.974 123 D CA 0.872 55.010 54.000 0.229 0.000 0.841 123 D CB -0.250 40.678 40.800 0.215 0.000 0.953 123 D HN 0.260 nan 8.370 nan 0.000 0.478 124 R N 0.943 121.471 120.500 0.048 0.000 2.073 124 R HA -0.123 4.204 4.340 -0.022 0.000 0.234 124 R C 1.743 178.018 176.300 -0.042 0.000 1.134 124 R CA 1.182 57.282 56.100 -0.001 0.000 0.952 124 R CB 0.058 30.343 30.300 -0.023 0.000 0.850 124 R HN -0.033 nan 8.270 nan 0.000 0.433 125 E N 0.477 120.645 120.200 -0.054 0.000 2.153 125 E HA -0.150 4.187 4.350 -0.022 0.000 0.194 125 E C 1.876 178.428 176.600 -0.079 0.000 0.988 125 E CA 1.256 57.595 56.400 -0.102 0.000 0.811 125 E CB -0.210 29.442 29.700 -0.081 0.000 0.746 125 E HN 0.521 nan 8.360 nan 0.000 0.466 126 A N 1.596 124.410 122.820 -0.009 0.000 1.933 126 A HA -0.189 4.118 4.320 -0.022 0.000 0.218 126 A C 1.804 179.400 177.584 0.020 0.000 1.175 126 A CA 1.659 53.699 52.037 0.004 0.000 0.628 126 A CB -0.251 18.835 19.000 0.143 0.000 0.814 126 A HN 0.063 nan 8.150 nan 0.000 0.444 127 D N -0.224 120.193 120.400 0.029 0.000 2.097 127 D HA -0.056 4.571 4.640 -0.022 0.000 0.197 127 D C 2.171 178.462 176.300 -0.014 0.000 0.984 127 D CA 1.434 55.447 54.000 0.021 0.000 0.826 127 D CB -0.890 39.923 40.800 0.021 0.000 0.973 127 D HN 0.386 nan 8.370 nan 0.000 0.460 128 G N 0.706 109.465 108.800 -0.068 0.000 2.556 128 G HA2 -0.241 3.705 3.960 -0.022 0.000 0.220 128 G HA3 -0.241 3.705 3.960 -0.022 0.000 0.220 128 G C 0.816 175.706 174.900 -0.016 0.000 1.156 128 G CA 0.941 45.985 45.100 -0.093 0.000 0.766 128 G HN 0.258 nan 8.290 nan 0.000 0.583 129 S N 0.961 116.639 115.700 -0.037 0.000 2.560 129 S HA 0.151 4.608 4.470 -0.022 0.000 0.284 129 S C 0.636 175.235 174.600 -0.001 0.000 1.327 129 S CA -0.081 58.107 58.200 -0.019 0.000 1.055 129 S CB 1.110 64.263 63.200 -0.078 0.000 0.868 129 S HN 0.351 nan 8.310 nan 0.000 0.506 130 D N 0.707 121.112 120.400 0.008 0.000 2.392 130 D HA 0.080 4.707 4.640 -0.022 0.000 0.206 130 D C 0.348 176.646 176.300 -0.004 0.000 1.046 130 D CA 0.459 54.465 54.000 0.011 0.000 0.865 130 D CB 0.490 41.304 40.800 0.023 0.000 0.969 130 D HN 0.433 nan 8.370 nan 0.000 0.509 131 S N 0.945 116.631 115.700 -0.023 0.000 2.680 131 S HA 0.180 4.636 4.470 -0.022 0.000 0.140 131 S C -0.889 173.667 174.600 -0.074 0.000 1.357 131 S CA -0.649 57.529 58.200 -0.037 0.000 1.201 131 S CB -0.336 62.845 63.200 -0.031 0.000 1.547 131 S HN 0.016 nan 8.310 nan 0.000 0.411 132 L N 3.336 124.504 121.223 -0.093 0.000 2.477 132 L HA 0.420 4.747 4.340 -0.022 0.000 0.272 132 L C 1.234 178.000 176.870 -0.173 0.000 1.157 132 L CA 0.866 55.602 54.840 -0.174 0.000 0.889 132 L CB 0.706 42.635 42.059 -0.217 0.000 1.158 132 L HN 0.765 nan 8.230 nan 0.000 0.473 133 E N 3.388 123.460 120.200 -0.212 0.000 2.075 133 E HA 0.255 4.592 4.350 -0.022 0.000 0.190 133 E C 0.603 177.079 176.600 -0.207 0.000 0.969 133 E CA 0.723 57.019 56.400 -0.173 0.000 0.815 133 E CB 0.238 29.842 29.700 -0.160 0.000 0.776 133 E HN 0.848 nan 8.360 nan 0.000 0.457 134 G N -1.134 107.459 108.800 -0.345 0.000 2.428 134 G HA2 0.391 4.338 3.960 -0.022 0.000 0.305 134 G HA3 0.391 4.338 3.960 -0.022 0.000 0.305 134 G C -1.660 172.841 174.900 -0.665 0.000 1.260 134 G CA -0.863 44.013 45.100 -0.372 0.000 0.853 134 G HN 0.071 nan 8.290 nan 0.000 0.480 135 F N -0.467 119.394 119.950 -0.150 0.000 2.551 135 F HA 0.692 5.209 4.527 -0.018 0.000 0.316 135 F C 0.059 175.787 175.800 -0.120 0.000 1.089 135 F CA -0.887 57.026 58.000 -0.145 0.000 0.915 135 F CB 2.737 41.636 39.000 -0.169 0.000 1.186 135 F HN 0.251 nan 8.300 nan 0.000 0.456 136 V N 3.872 123.840 119.914 0.091 0.000 2.448 136 V HA 0.466 4.573 4.120 -0.022 0.000 0.295 136 V C -1.092 175.024 176.094 0.037 0.000 1.025 136 V CA -0.685 61.638 62.300 0.039 0.000 0.859 136 V CB 1.869 33.727 31.823 0.059 0.000 0.988 136 V HN 0.543 nan 8.190 nan 0.000 0.431 137 L N 6.030 127.240 121.223 -0.022 0.000 2.319 137 L HA 0.634 4.961 4.340 -0.022 0.000 0.281 137 L C -0.415 176.449 176.870 -0.011 0.000 1.005 137 L CA 0.172 54.968 54.840 -0.074 0.000 0.828 137 L CB 0.968 42.897 42.059 -0.217 0.000 1.227 137 L HN 0.760 nan 8.230 nan 0.000 0.415 138 C N 5.277 124.607 119.300 0.050 0.000 2.307 138 C HA 0.841 5.288 4.460 -0.022 0.000 0.340 138 C C -0.120 174.995 174.990 0.209 0.000 1.275 138 C CA -0.344 58.757 59.018 0.137 0.000 1.811 138 C CB -0.925 26.849 27.740 0.058 0.000 2.372 138 C HN 1.053 nan 8.230 nan 0.000 0.531 139 H N -0.217 118.865 119.070 0.019 0.000 2.904 139 H HA 0.590 5.131 4.556 -0.024 0.000 0.290 139 H C -0.935 174.394 175.328 0.002 0.000 1.437 139 H CA -0.622 55.425 56.048 -0.001 0.000 1.147 139 H CB 0.550 30.308 29.762 -0.006 0.000 1.824 139 H HN 0.517 nan 8.280 nan 0.000 0.505 140 S N 0.362 115.902 115.700 -0.266 0.000 2.651 140 S HA 0.372 4.829 4.470 -0.022 0.000 0.291 140 S C 0.653 174.972 174.600 -0.469 0.000 1.141 140 S CA -0.852 57.153 58.200 -0.325 0.000 1.027 140 S CB 1.204 64.308 63.200 -0.160 0.000 1.043 140 S HN 0.548 nan 8.310 nan 0.000 0.530 141 I N 0.940 121.265 120.570 -0.408 0.000 2.400 141 I HA 0.086 4.243 4.170 -0.022 0.000 0.248 141 I C 2.104 178.134 176.117 -0.146 0.000 1.109 141 I CA 1.012 62.106 61.300 -0.343 0.000 1.425 141 I CB -2.200 35.472 38.000 -0.546 0.000 1.094 141 I HN 0.845 nan 8.210 nan 0.000 0.425 142 A N 0.522 123.272 122.820 -0.116 0.000 2.847 142 A HA 0.446 4.752 4.320 -0.022 0.000 0.194 142 A C 1.284 178.877 177.584 0.015 0.000 1.893 142 A CA 0.570 52.592 52.037 -0.026 0.000 0.983 142 A CB -1.352 17.642 19.000 -0.009 0.000 1.762 142 A HN 0.494 nan 8.150 nan 0.000 0.802 143 G N -3.021 105.797 108.800 0.030 0.000 2.990 143 G HA2 0.131 4.078 3.960 -0.022 0.000 0.424 143 G HA3 0.131 4.078 3.960 -0.022 0.000 0.424 143 G C 0.903 175.846 174.900 0.072 0.000 1.484 143 G CA 0.379 45.503 45.100 0.040 0.000 0.986 143 G HN 1.706 nan 8.290 nan 0.000 0.557 144 G N -1.396 107.440 108.800 0.059 0.000 2.564 144 G HA2 0.193 4.139 3.960 -0.022 0.000 0.212 144 G HA3 0.193 4.139 3.960 -0.022 0.000 0.212 144 G C 1.809 176.721 174.900 0.020 0.000 1.199 144 G CA 1.872 47.012 45.100 0.066 0.000 0.832 144 G HN 1.024 nan 8.290 nan 0.000 0.565 145 T N 1.418 115.974 114.554 0.004 0.000 2.529 145 T HA -0.107 4.230 4.350 -0.022 0.000 0.261 145 T C 2.476 177.175 174.700 -0.001 0.000 1.110 145 T CA 1.948 64.038 62.100 -0.017 0.000 1.192 145 T CB -1.154 67.710 68.868 -0.008 0.000 0.864 145 T HN 0.359 nan 8.240 nan 0.000 0.407 146 G N 1.487 110.307 108.800 0.032 0.000 2.624 146 G HA2 -0.335 3.611 3.960 -0.022 0.000 0.221 146 G HA3 -0.335 3.611 3.960 -0.022 0.000 0.221 146 G C 1.930 176.941 174.900 0.186 0.000 1.169 146 G CA 2.199 47.360 45.100 0.101 0.000 0.771 146 G HN 0.673 nan 8.290 nan 0.000 0.598 147 S N 0.279 116.047 115.700 0.114 0.000 2.371 147 S HA 0.195 4.652 4.470 -0.022 0.000 0.221 147 S C 2.444 177.026 174.600 -0.031 0.000 1.036 147 S CA 1.351 59.664 58.200 0.188 0.000 0.965 147 S CB -0.776 62.608 63.200 0.307 0.000 0.845 147 S HN 0.555 nan 8.310 nan 0.000 0.475 148 G N 2.223 110.850 108.800 -0.288 0.000 2.505 148 G HA2 -0.064 3.882 3.960 -0.022 0.000 0.214 148 G HA3 -0.064 3.882 3.960 -0.022 0.000 0.214 148 G C 1.379 176.005 174.900 -0.457 0.000 1.237 148 G CA 0.897 45.539 45.100 -0.763 0.000 0.802 148 G HN 0.445 nan 8.290 nan 0.000 0.549 149 L N 1.865 122.939 121.223 -0.248 0.000 2.191 149 L HA 0.140 4.466 4.340 -0.022 0.000 0.212 149 L C 2.692 179.489 176.870 -0.122 0.000 1.103 149 L CA 2.154 56.889 54.840 -0.176 0.000 0.769 149 L CB -0.914 41.081 42.059 -0.107 0.000 0.908 149 L HN 0.199 nan 8.230 nan 0.000 0.438 150 G N -1.652 107.100 108.800 -0.081 0.000 2.404 150 G HA2 -0.235 3.711 3.960 -0.022 0.000 0.215 150 G HA3 -0.235 3.711 3.960 -0.022 0.000 0.215 150 G C 1.583 176.443 174.900 -0.066 0.000 1.174 150 G CA 0.795 45.853 45.100 -0.070 0.000 0.780 150 G HN 0.460 nan 8.290 nan 0.000 0.537 151 S N -0.333 115.375 115.700 0.014 0.000 2.382 151 S HA -0.130 4.327 4.470 -0.022 0.000 0.228 151 S C 1.951 176.597 174.600 0.077 0.000 1.027 151 S CA 1.218 59.506 58.200 0.146 0.000 0.991 151 S CB -0.388 63.060 63.200 0.413 0.000 0.823 151 S HN 0.517 nan 8.310 nan 0.000 0.469 152 Y N 2.070 122.178 120.300 -0.320 0.000 2.133 152 Y HA -0.045 4.488 4.550 -0.028 0.000 0.287 152 Y C 1.941 177.696 175.900 -0.241 0.000 1.134 152 Y CA 1.138 58.896 58.100 -0.570 0.000 1.133 152 Y CB -0.657 37.220 38.460 -0.972 0.000 0.987 152 Y HN 0.128 nan 8.280 nan 0.000 0.502 153 L N -0.461 120.581 121.223 -0.302 0.000 2.012 153 L HA -0.293 4.033 4.340 -0.022 0.000 0.210 153 L C 2.585 179.303 176.870 -0.253 0.000 1.073 153 L CA 1.544 56.200 54.840 -0.306 0.000 0.748 153 L CB -0.662 41.251 42.059 -0.243 0.000 0.891 153 L HN 0.333 nan 8.230 nan 0.000 0.431 154 L N -0.639 120.475 121.223 -0.183 0.000 2.081 154 L HA -0.284 4.042 4.340 -0.022 0.000 0.212 154 L C 2.457 179.271 176.870 -0.095 0.000 1.080 154 L CA 1.466 56.231 54.840 -0.125 0.000 0.754 154 L CB -0.363 41.658 42.059 -0.064 0.000 0.893 154 L HN 0.366 nan 8.230 nan 0.000 0.433 155 E N -0.953 119.188 120.200 -0.097 0.000 2.112 155 E HA -0.136 4.200 4.350 -0.022 0.000 0.190 155 E C 2.332 178.848 176.600 -0.140 0.000 0.979 155 E CA 0.425 56.790 56.400 -0.059 0.000 0.814 155 E CB 0.218 29.944 29.700 0.042 0.000 0.762 155 E HN 0.330 nan 8.360 nan 0.000 0.460 156 R N 0.465 120.796 120.500 -0.282 0.000 2.062 156 R HA -0.019 4.308 4.340 -0.022 0.000 0.226 156 R C 2.452 178.663 176.300 -0.148 0.000 1.125 156 R CA 0.610 56.540 56.100 -0.283 0.000 0.966 156 R CB -0.842 29.201 30.300 -0.428 0.000 0.861 156 R HN 0.225 nan 8.270 nan 0.000 0.433 157 L N 1.642 122.810 121.223 -0.092 0.000 2.129 157 L HA -0.175 4.152 4.340 -0.022 0.000 0.212 157 L C 2.184 179.052 176.870 -0.002 0.000 1.087 157 L CA 1.049 55.857 54.840 -0.053 0.000 0.757 157 L CB -0.491 41.422 42.059 -0.244 0.000 0.896 157 L HN 0.252 nan 8.230 nan 0.000 0.434 158 N N -0.468 118.208 118.700 -0.039 0.000 2.609 158 N HA -0.145 4.581 4.740 -0.022 0.000 0.190 158 N C 0.624 176.122 175.510 -0.020 0.000 1.157 158 N CA 1.010 54.052 53.050 -0.013 0.000 0.918 158 N CB 0.198 38.675 38.487 -0.016 0.000 0.978 158 N HN 0.415 nan 8.380 nan 0.000 0.448 159 D N -0.997 119.370 120.400 -0.055 0.000 3.099 159 D HA 0.118 4.745 4.640 -0.022 0.000 0.291 159 D C 1.649 177.863 176.300 -0.143 0.000 1.209 159 D CA -0.008 53.940 54.000 -0.086 0.000 1.032 159 D CB -0.174 40.561 40.800 -0.107 0.000 1.324 159 D HN -0.024 nan 8.370 nan 0.000 0.440 160 R N -0.446 119.924 120.500 -0.217 0.000 2.159 160 R HA -0.089 4.237 4.340 -0.022 0.000 0.237 160 R C -0.067 175.827 176.300 -0.677 0.000 1.131 160 R CA 1.095 56.933 56.100 -0.438 0.000 0.982 160 R CB 0.089 30.103 30.300 -0.477 0.000 0.868 160 R HN 0.247 nan 8.270 nan 0.000 0.453 161 Y N -1.531 118.753 120.300 -0.026 0.000 2.513 161 Y HA 0.278 4.813 4.550 -0.024 0.000 0.341 161 Y C -1.953 173.965 175.900 0.030 0.000 1.075 161 Y CA -2.070 56.054 58.100 0.040 0.000 1.190 161 Y CB 1.565 40.113 38.460 0.148 0.000 1.111 161 Y HN 0.017 nan 8.280 nan 0.000 0.644 162 P HA -0.157 nan 4.420 nan 0.000 0.218 162 P C 0.824 178.166 177.300 0.071 0.000 1.148 162 P CA 1.738 64.872 63.100 0.057 0.000 0.822 162 P CB 0.441 32.151 31.700 0.017 0.000 0.784 163 K N -0.997 119.457 120.400 0.090 0.000 2.202 163 K HA 0.062 4.368 4.320 -0.022 0.000 0.201 163 K C 0.576 177.222 176.600 0.076 0.000 1.051 163 K CA 0.263 56.592 56.287 0.069 0.000 0.977 163 K CB -0.077 32.457 32.500 0.057 0.000 0.792 163 K HN 0.004 nan 8.250 nan 0.000 0.469 164 K N 2.306 122.784 120.400 0.130 0.000 2.511 164 K HA -0.024 4.283 4.320 -0.022 0.000 0.280 164 K C 0.209 176.864 176.600 0.092 0.000 1.008 164 K CA 0.090 56.441 56.287 0.107 0.000 1.050 164 K CB 0.305 32.926 32.500 0.201 0.000 0.889 164 K HN 0.069 nan 8.250 nan 0.000 0.484 165 L N 2.504 123.740 121.223 0.020 0.000 2.464 165 L HA 0.104 4.431 4.340 -0.022 0.000 0.264 165 L C -0.589 176.296 176.870 0.024 0.000 1.199 165 L CA -0.193 54.647 54.840 -0.001 0.000 0.818 165 L CB 0.885 42.918 42.059 -0.044 0.000 1.102 165 L HN 0.273 nan 8.230 nan 0.000 0.473 166 V N 4.289 124.192 119.914 -0.018 0.000 2.525 166 V HA 0.420 4.527 4.120 -0.022 0.000 0.299 166 V C -0.527 175.499 176.094 -0.114 0.000 1.034 166 V CA -0.510 61.776 62.300 -0.024 0.000 0.863 166 V CB 1.438 33.244 31.823 -0.029 0.000 0.999 166 V HN 0.827 nan 8.190 nan 0.000 0.423 167 Q N 2.814 122.545 119.800 -0.114 0.000 2.413 167 Q HA 0.832 5.158 4.340 -0.022 0.000 0.276 167 Q C -0.900 174.976 176.000 -0.207 0.000 1.099 167 Q CA -0.508 55.177 55.803 -0.197 0.000 0.814 167 Q CB 2.758 31.374 28.738 -0.202 0.000 1.379 167 Q HN 0.889 nan 8.270 nan 0.000 0.436 168 T N -0.871 113.509 114.554 -0.289 0.000 2.900 168 T HA 0.485 4.821 4.350 -0.022 0.000 0.303 168 T C -1.354 173.136 174.700 -0.350 0.000 1.142 168 T CA -0.524 61.442 62.100 -0.222 0.000 1.007 168 T CB 0.768 69.579 68.868 -0.094 0.000 1.156 168 T HN 0.467 nan 8.240 nan 0.000 0.490 169 Y N 1.118 121.440 120.300 0.037 0.000 2.478 169 Y HA 0.543 5.080 4.550 -0.022 0.000 0.329 169 Y C 0.425 176.418 175.900 0.156 0.000 0.967 169 Y CA -0.631 57.500 58.100 0.051 0.000 1.255 169 Y CB 1.493 39.929 38.460 -0.040 0.000 1.103 169 Y HN 0.691 nan 8.280 nan 0.000 0.497 170 S N 2.814 118.684 115.700 0.284 0.000 2.429 170 S HA 0.420 4.877 4.470 -0.022 0.000 0.302 170 S C -0.364 174.389 174.600 0.256 0.000 1.115 170 S CA -0.752 57.594 58.200 0.244 0.000 1.095 170 S CB 1.046 64.445 63.200 0.332 0.000 0.987 170 S HN 0.316 nan 8.310 nan 0.000 0.474 171 V N 5.194 125.147 119.914 0.066 0.000 2.368 171 V HA 0.310 4.416 4.120 -0.022 0.000 0.266 171 V C -0.499 175.654 176.094 0.098 0.000 1.045 171 V CA -0.408 61.961 62.300 0.116 0.000 0.899 171 V CB -0.450 31.372 31.823 -0.001 0.000 1.006 171 V HN 0.678 nan 8.190 nan 0.000 0.470 172 F N 7.914 127.871 119.950 0.013 0.000 2.412 172 F HA 0.397 4.912 4.527 -0.019 0.000 0.348 172 F C -1.174 174.642 175.800 0.026 0.000 1.102 172 F CA -2.365 55.651 58.000 0.027 0.000 1.196 172 F CB 0.508 39.538 39.000 0.050 0.000 1.144 172 F HN 0.336 nan 8.300 nan 0.000 0.541 173 P HA -0.096 nan 4.420 nan 0.000 0.272 173 P C -0.687 176.696 177.300 0.138 0.000 1.248 173 P CA -0.273 62.895 63.100 0.114 0.000 0.799 173 P CB 0.552 32.296 31.700 0.074 0.000 0.997 174 N N 1.246 120.020 118.700 0.124 0.000 2.402 174 N HA 0.041 4.767 4.740 -0.022 0.000 0.252 174 N C -0.162 175.397 175.510 0.082 0.000 1.118 174 N CA 0.332 53.447 53.050 0.107 0.000 0.945 174 N CB -0.190 38.362 38.487 0.108 0.000 1.147 174 N HN 0.327 nan 8.380 nan 0.000 0.495 180 D N -0.210 120.208 120.400 0.031 0.000 4.428 180 D HA 0.166 4.792 4.640 -0.022 0.000 0.100 180 D C -0.447 175.859 176.300 0.010 0.000 0.471 180 D CA 0.343 54.353 54.000 0.017 0.000 0.691 180 D CB -0.544 40.268 40.800 0.021 0.000 1.605 180 D HN 0.188 nan 8.370 nan 0.000 0.257 181 V N -0.641 119.271 119.914 -0.004 0.000 3.071 181 V HA 0.268 4.375 4.120 -0.022 0.000 0.244 181 V C 2.081 178.133 176.094 -0.069 0.000 1.644 181 V CA 0.881 63.172 62.300 -0.015 0.000 1.090 181 V CB 0.894 32.730 31.823 0.022 0.000 0.981 181 V HN 0.369 nan 8.190 nan 0.000 0.422 182 V N 0.331 120.218 119.914 -0.045 0.000 0.441 182 V HA -0.343 3.763 4.120 -0.022 0.000 0.092 182 V C 1.452 177.603 176.094 0.095 0.000 2.557 182 V CA 3.258 65.514 62.300 -0.073 0.000 3.721 182 V CB -1.773 29.703 31.823 -0.578 0.000 0.992 182 V HN 1.315 nan 8.190 nan 0.000 1.042 183 V N -2.164 117.801 119.914 0.085 0.000 3.271 183 V HA 0.351 4.458 4.120 -0.022 0.000 0.327 183 V C 1.585 177.792 176.094 0.189 0.000 1.389 183 V CA 1.328 63.793 62.300 0.275 0.000 1.156 183 V CB 0.290 32.307 31.823 0.324 0.000 1.103 183 V HN 0.844 nan 8.190 nan 0.000 0.453 184 Q N 2.061 121.919 119.800 0.098 0.000 2.077 184 Q HA -0.117 4.210 4.340 -0.022 0.000 0.206 184 Q C -0.183 175.828 176.000 0.018 0.000 0.989 184 Q CA 2.389 58.224 55.803 0.055 0.000 0.853 184 Q CB -1.490 27.271 28.738 0.038 0.000 0.907 184 Q HN 0.619 nan 8.270 nan 0.000 0.418 185 P HA -0.203 nan 4.420 nan 0.000 0.221 185 P C 0.605 177.804 177.300 -0.168 0.000 1.145 185 P CA 1.469 64.519 63.100 -0.084 0.000 0.795 185 P CB -0.108 31.530 31.700 -0.102 0.000 0.775 186 Y N 0.649 120.933 120.300 -0.027 0.000 2.163 186 Y HA -0.085 4.455 4.550 -0.017 0.000 0.288 186 Y C 2.667 178.364 175.900 -0.339 0.000 1.112 186 Y CA 0.794 58.774 58.100 -0.201 0.000 1.104 186 Y CB -0.834 37.573 38.460 -0.088 0.000 1.016 186 Y HN -0.121 nan 8.280 nan 0.000 0.497 187 N N 0.001 118.715 118.700 0.024 0.000 2.060 187 N HA -0.207 4.520 4.740 -0.022 0.000 0.195 187 N C 1.865 177.341 175.510 -0.056 0.000 1.028 187 N CA 1.847 54.918 53.050 0.034 0.000 0.861 187 N CB -0.782 37.805 38.487 0.167 0.000 1.029 187 N HN 0.211 nan 8.380 nan 0.000 0.428 188 S N 1.048 116.696 115.700 -0.086 0.000 2.370 188 S HA -0.111 4.345 4.470 -0.022 0.000 0.226 188 S C 1.967 176.456 174.600 -0.184 0.000 1.033 188 S CA 0.728 58.846 58.200 -0.136 0.000 1.011 188 S CB -0.330 62.794 63.200 -0.126 0.000 0.852 188 S HN 0.233 nan 8.310 nan 0.000 0.457 189 L N 1.690 122.745 121.223 -0.279 0.000 2.072 189 L HA 0.085 4.412 4.340 -0.022 0.000 0.205 189 L C 1.945 178.582 176.870 -0.388 0.000 1.079 189 L CA 1.449 56.069 54.840 -0.367 0.000 0.752 189 L CB -0.516 41.173 42.059 -0.615 0.000 0.906 189 L HN 0.269 nan 8.230 nan 0.000 0.436 190 L N -1.240 119.657 121.223 -0.543 0.000 2.079 190 L HA -0.208 4.119 4.340 -0.022 0.000 0.210 190 L C 2.269 179.046 176.870 -0.154 0.000 1.081 190 L CA 1.701 56.156 54.840 -0.642 0.000 0.752 190 L CB -1.130 39.991 42.059 -1.563 0.000 0.896 190 L HN 0.293 nan 8.230 nan 0.000 0.433 191 T N -0.095 114.471 114.554 0.020 0.000 2.851 191 T HA -0.034 4.302 4.350 -0.022 0.000 0.262 191 T C 1.984 176.750 174.700 0.111 0.000 1.043 191 T CA 0.638 62.869 62.100 0.219 0.000 1.140 191 T CB -0.122 68.885 68.868 0.231 0.000 0.872 191 T HN 0.171 nan 8.240 nan 0.000 0.446 192 L N 1.134 122.356 121.223 -0.001 0.000 2.263 192 L HA -0.148 4.179 4.340 -0.022 0.000 0.216 192 L C 2.704 179.572 176.870 -0.002 0.000 1.111 192 L CA 1.230 56.064 54.840 -0.009 0.000 0.773 192 L CB -0.384 41.591 42.059 -0.140 0.000 0.906 192 L HN 0.241 nan 8.230 nan 0.000 0.439 193 K N 0.326 120.715 120.400 -0.018 0.000 2.031 193 K HA -0.133 4.174 4.320 -0.022 0.000 0.205 193 K C 2.018 178.665 176.600 0.078 0.000 1.049 193 K CA 0.835 57.120 56.287 -0.004 0.000 0.939 193 K CB 0.139 32.615 32.500 -0.041 0.000 0.717 193 K HN 0.249 nan 8.250 nan 0.000 0.438 194 R N 0.616 121.195 120.500 0.131 0.000 2.280 194 R HA 0.004 4.331 4.340 -0.022 0.000 0.207 194 R C 2.073 178.456 176.300 0.138 0.000 1.043 194 R CA 0.443 56.635 56.100 0.152 0.000 1.006 194 R CB -0.248 30.179 30.300 0.211 0.000 0.885 194 R HN 0.286 nan 8.270 nan 0.000 0.467 195 L N 0.007 121.336 121.223 0.177 0.000 2.477 195 L HA 0.046 4.373 4.340 -0.022 0.000 0.220 195 L C 1.633 178.696 176.870 0.322 0.000 1.106 195 L CA 0.701 55.668 54.840 0.212 0.000 0.851 195 L CB 0.003 42.248 42.059 0.310 0.000 0.994 195 L HN 0.050 nan 8.230 nan 0.000 0.462 196 T N -0.677 114.056 114.554 0.299 0.000 2.976 196 T HA -0.094 4.243 4.350 -0.022 0.000 0.257 196 T C 1.642 176.485 174.700 0.239 0.000 1.051 196 T CA 0.999 63.275 62.100 0.293 0.000 1.141 196 T CB 0.114 69.041 68.868 0.099 0.000 0.881 196 T HN 0.463 nan 8.240 nan 0.000 0.461 197 Q N -0.054 119.840 119.800 0.158 0.000 2.316 197 Q HA 0.257 4.584 4.340 -0.022 0.000 0.235 197 Q C 0.543 176.598 176.000 0.091 0.000 0.863 197 Q CA 0.107 55.982 55.803 0.120 0.000 0.939 197 Q CB 0.325 29.110 28.738 0.078 0.000 1.108 197 Q HN 0.236 nan 8.270 nan 0.000 0.522 198 N N 1.143 119.890 118.700 0.079 0.000 2.458 198 N HA 0.418 5.144 4.740 -0.022 0.000 0.274 198 N C -1.029 174.471 175.510 -0.016 0.000 1.242 198 N CA 0.254 53.324 53.050 0.033 0.000 0.904 198 N CB 1.787 40.297 38.487 0.039 0.000 1.206 198 N HN 0.240 nan 8.380 nan 0.000 0.510 199 A N -0.204 122.584 122.820 -0.053 0.000 2.513 199 A HA 0.331 4.637 4.320 -0.022 0.000 0.296 199 A C 0.009 177.340 177.584 -0.421 0.000 1.052 199 A CA -0.629 51.290 52.037 -0.195 0.000 0.714 199 A CB 1.385 20.266 19.000 -0.198 0.000 1.279 199 A HN -0.034 nan 8.150 nan 0.000 0.397 200 D N 0.138 120.318 120.400 -0.366 0.000 2.162 200 D HA 0.043 4.669 4.640 -0.022 0.000 0.205 200 D C 0.335 176.274 176.300 -0.601 0.000 0.964 200 D CA 1.380 55.149 54.000 -0.385 0.000 0.847 200 D CB 0.461 41.151 40.800 -0.182 0.000 0.988 200 D HN 0.477 nan 8.370 nan 0.000 0.480 201 C N 1.393 120.388 119.300 -0.508 0.000 2.608 201 C HA 0.465 4.912 4.460 -0.022 0.000 0.325 201 C C -1.477 173.273 174.990 -0.401 0.000 1.147 201 C CA -0.743 58.028 59.018 -0.411 0.000 1.359 201 C CB 0.822 28.422 27.740 -0.233 0.000 1.912 201 C HN 0.130 nan 8.230 nan 0.000 0.466 202 L N 7.025 128.029 121.223 -0.365 0.000 2.356 202 L HA 0.423 4.749 4.340 -0.022 0.000 0.264 202 L C -0.178 176.594 176.870 -0.163 0.000 1.029 202 L CA 0.020 54.667 54.840 -0.320 0.000 0.897 202 L CB 1.270 42.947 42.059 -0.636 0.000 1.256 202 L HN 0.590 nan 8.230 nan 0.000 0.444 203 V N 4.794 124.570 119.914 -0.230 0.000 2.415 203 V HA 0.150 4.256 4.120 -0.022 0.000 0.267 203 V C 0.581 176.712 176.094 0.061 0.000 1.042 203 V CA -0.394 61.837 62.300 -0.114 0.000 1.000 203 V CB 1.475 33.135 31.823 -0.271 0.000 1.015 203 V HN 0.329 nan 8.190 nan 0.000 0.478 204 V N 7.481 127.459 119.914 0.108 0.000 2.461 204 V HA 0.323 4.430 4.120 -0.022 0.000 0.275 204 V C 0.107 176.248 176.094 0.078 0.000 1.047 204 V CA -0.287 62.080 62.300 0.112 0.000 0.955 204 V CB 1.307 33.081 31.823 -0.082 0.000 0.988 204 V HN 0.625 nan 8.190 nan 0.000 0.471 205 L N 4.545 125.864 121.223 0.160 0.000 2.318 205 L HA 0.456 4.783 4.340 -0.022 0.000 0.277 205 L C -0.266 176.680 176.870 0.126 0.000 1.008 205 L CA -0.435 54.481 54.840 0.127 0.000 0.846 205 L CB 1.417 43.566 42.059 0.150 0.000 1.220 205 L HN 0.533 nan 8.230 nan 0.000 0.423 206 D N 2.273 122.692 120.400 0.032 0.000 2.339 206 D HA 0.050 4.677 4.640 -0.022 0.000 0.241 206 D C 0.871 177.218 176.300 0.077 0.000 1.183 206 D CA 0.011 54.033 54.000 0.037 0.000 0.859 206 D CB 1.093 41.857 40.800 -0.060 0.000 1.067 206 D HN 0.319 nan 8.370 nan 0.000 0.484 207 N N 1.897 120.671 118.700 0.123 0.000 2.223 207 N HA -0.121 4.606 4.740 -0.022 0.000 0.185 207 N C 1.377 176.945 175.510 0.095 0.000 1.016 207 N CA 0.963 54.085 53.050 0.121 0.000 0.863 207 N CB 0.084 38.664 38.487 0.154 0.000 0.983 207 N HN 0.435 nan 8.380 nan 0.000 0.429 208 T N 0.361 114.962 114.554 0.078 0.000 2.708 208 T HA -0.083 4.254 4.350 -0.022 0.000 0.266 208 T C 1.887 176.608 174.700 0.034 0.000 1.037 208 T CA 1.499 63.630 62.100 0.052 0.000 1.146 208 T CB -0.378 68.512 68.868 0.037 0.000 0.865 208 T HN 0.334 nan 8.240 nan 0.000 0.435 209 A N 0.939 123.772 122.820 0.022 0.000 1.969 209 A HA 0.085 4.392 4.320 -0.022 0.000 0.218 209 A C 2.303 179.900 177.584 0.021 0.000 1.169 209 A CA 0.983 53.026 52.037 0.010 0.000 0.635 209 A CB -0.785 18.211 19.000 -0.006 0.000 0.810 209 A HN 0.464 nan 8.150 nan 0.000 0.445 210 L N -0.265 120.980 121.223 0.037 0.000 2.046 210 L HA -0.227 4.100 4.340 -0.022 0.000 0.208 210 L C 2.483 179.378 176.870 0.043 0.000 1.077 210 L CA 1.246 56.113 54.840 0.044 0.000 0.747 210 L CB -0.663 41.436 42.059 0.066 0.000 0.896 210 L HN 0.394 nan 8.230 nan 0.000 0.432 211 N N 0.429 119.159 118.700 0.049 0.000 2.022 211 N HA -0.172 4.555 4.740 -0.022 0.000 0.194 211 N C 1.845 177.366 175.510 0.018 0.000 1.057 211 N CA 1.342 54.415 53.050 0.038 0.000 0.849 211 N CB -0.357 38.155 38.487 0.041 0.000 1.044 211 N HN 0.191 nan 8.380 nan 0.000 0.424 212 R N 0.635 121.143 120.500 0.014 0.000 2.190 212 R HA -0.204 4.122 4.340 -0.022 0.000 0.255 212 R C 2.322 178.617 176.300 -0.008 0.000 1.143 212 R CA 1.579 57.682 56.100 0.004 0.000 0.965 212 R CB -0.684 29.619 30.300 0.003 0.000 0.889 212 R HN 0.330 nan 8.270 nan 0.000 0.448 213 I N 0.101 120.667 120.570 -0.006 0.000 2.060 213 I HA -0.304 3.853 4.170 -0.022 0.000 0.233 213 I C 2.694 178.788 176.117 -0.039 0.000 1.054 213 I CA 1.349 62.637 61.300 -0.020 0.000 1.318 213 I CB -0.710 37.289 38.000 -0.002 0.000 1.054 213 I HN 0.257 nan 8.210 nan 0.000 0.395 214 A N 0.203 123.013 122.820 -0.017 0.000 1.944 214 A HA -0.336 3.971 4.320 -0.022 0.000 0.222 214 A C 2.353 179.913 177.584 -0.040 0.000 1.237 214 A CA 3.075 55.101 52.037 -0.019 0.000 0.668 214 A CB -1.457 17.549 19.000 0.010 0.000 0.830 214 A HN 0.508 nan 8.150 nan 0.000 0.471 215 T N -0.627 113.911 114.554 -0.027 0.000 2.668 215 T HA -0.072 4.264 4.350 -0.022 0.000 0.262 215 T C 1.509 176.177 174.700 -0.054 0.000 1.045 215 T CA 1.511 63.599 62.100 -0.020 0.000 1.152 215 T CB -0.396 68.473 68.868 0.001 0.000 0.864 215 T HN 0.595 nan 8.240 nan 0.000 0.419 216 D N 1.139 121.499 120.400 -0.067 0.000 2.119 216 D HA 0.047 4.674 4.640 -0.022 0.000 0.231 216 D C 1.493 177.621 176.300 -0.287 0.000 0.999 216 D CA 0.644 54.589 54.000 -0.092 0.000 0.915 216 D CB -0.490 40.291 40.800 -0.032 0.000 1.017 216 D HN 0.135 nan 8.370 nan 0.000 0.437 217 R N 0.303 120.689 120.500 -0.190 0.000 4.219 217 R HA 0.035 4.362 4.340 -0.022 0.000 0.203 217 R C 0.232 176.362 176.300 -0.283 0.000 2.173 217 R CA 0.131 56.105 56.100 -0.210 0.000 1.776 217 R CB -0.164 30.088 30.300 -0.081 0.000 1.150 217 R HN 0.101 nan 8.270 nan 0.000 0.637 218 L N -1.796 119.105 121.223 -0.538 0.000 4.831 218 L HA -0.025 4.302 4.340 -0.022 0.000 0.493 218 L C -0.887 175.803 176.870 -0.301 0.000 0.843 218 L CA 0.331 54.968 54.840 -0.337 0.000 2.008 218 L CB 0.155 42.138 42.059 -0.126 0.000 2.083 218 L HN 0.365 nan 8.230 nan 0.000 0.609 219 H N 1.004 120.084 119.070 0.017 0.000 2.765 219 H HA -0.066 4.477 4.556 -0.022 0.000 0.332 219 H C -0.193 175.142 175.328 0.013 0.000 1.180 219 H CA 1.212 57.269 56.048 0.014 0.000 1.142 219 H CB -2.158 27.611 29.762 0.012 0.000 1.576 219 H HN 0.305 nan 8.280 nan 0.000 0.420 220 I N 0.505 121.110 120.570 0.058 0.000 2.439 220 I HA 0.164 4.321 4.170 -0.022 0.000 0.283 220 I C 1.465 177.601 176.117 0.032 0.000 1.023 220 I CA 0.073 61.399 61.300 0.043 0.000 1.100 220 I CB 1.786 39.800 38.000 0.023 0.000 1.238 220 I HN 0.462 nan 8.210 nan 0.000 0.445 221 Q N 3.778 123.597 119.800 0.032 0.000 2.119 221 Q HA -0.106 4.221 4.340 -0.022 0.000 0.201 221 Q C 1.012 177.016 176.000 0.007 0.000 0.972 221 Q CA 2.005 57.821 55.803 0.021 0.000 0.847 221 Q CB -0.666 28.083 28.738 0.020 0.000 0.903 221 Q HN 0.841 nan 8.270 nan 0.000 0.433 222 N N 2.005 120.705 118.700 0.000 0.000 2.841 222 N HA 0.461 5.188 4.740 -0.022 0.000 0.257 222 N C -2.750 172.747 175.510 -0.022 0.000 1.396 222 N CA -1.101 51.938 53.050 -0.017 0.000 0.823 222 N CB 0.711 39.184 38.487 -0.023 0.000 1.162 222 N HN 0.428 nan 8.380 nan 0.000 0.503 223 P HA 0.103 nan 4.420 nan 0.000 0.262 223 P C 0.226 177.506 177.300 -0.033 0.000 1.199 223 P CA 0.469 63.565 63.100 -0.005 0.000 0.763 223 P CB 0.697 32.403 31.700 0.010 0.000 0.790 224 S N 2.825 118.514 115.700 -0.017 0.000 2.669 224 S HA 0.285 4.742 4.470 -0.022 0.000 0.270 224 S C 1.166 175.807 174.600 0.070 0.000 1.225 224 S CA -0.634 57.538 58.200 -0.047 0.000 0.991 224 S CB 0.360 63.555 63.200 -0.008 0.000 0.987 224 S HN 0.358 nan 8.310 nan 0.000 0.552 225 F N 0.455 120.422 119.950 0.028 0.000 2.171 225 F HA -0.134 4.380 4.527 -0.022 0.000 0.300 225 F C 3.176 179.000 175.800 0.039 0.000 1.090 225 F CA 1.029 59.049 58.000 0.032 0.000 1.293 225 F CB -0.326 38.693 39.000 0.031 0.000 1.013 225 F HN 0.780 nan 8.300 nan 0.000 0.486 226 S N 0.390 116.236 115.700 0.243 0.000 2.359 226 S HA -0.291 4.166 4.470 -0.022 0.000 0.222 226 S C 1.897 176.573 174.600 0.126 0.000 1.038 226 S CA 1.911 60.211 58.200 0.166 0.000 1.051 226 S CB -0.496 62.784 63.200 0.132 0.000 0.944 226 S HN 0.464 nan 8.310 nan 0.000 0.433 227 Q N 0.202 120.065 119.800 0.106 0.000 2.061 227 Q HA -0.083 4.244 4.340 -0.022 0.000 0.204 227 Q C 2.371 178.416 176.000 0.076 0.000 0.984 227 Q CA 1.869 57.717 55.803 0.075 0.000 0.846 227 Q CB -0.385 28.387 28.738 0.057 0.000 0.902 227 Q HN 0.610 nan 8.270 nan 0.000 0.421 228 I N 1.293 121.930 120.570 0.113 0.000 2.226 228 I HA -0.250 3.907 4.170 -0.022 0.000 0.245 228 I C 1.431 177.593 176.117 0.075 0.000 1.100 228 I CA 0.783 62.150 61.300 0.112 0.000 1.374 228 I CB -0.279 37.840 38.000 0.198 0.000 1.057 228 I HN 0.223 nan 8.210 nan 0.000 0.413 229 N N 0.466 119.217 118.700 0.084 0.000 2.573 229 N HA -0.171 4.556 4.740 -0.022 0.000 0.187 229 N C 1.681 177.196 175.510 0.008 0.000 1.107 229 N CA 0.651 53.724 53.050 0.038 0.000 0.918 229 N CB -0.169 38.352 38.487 0.058 0.000 0.966 229 N HN 0.321 nan 8.380 nan 0.000 0.448 230 Q N 0.391 120.199 119.800 0.015 0.000 2.187 230 Q HA 0.166 4.493 4.340 -0.022 0.000 0.199 230 Q C 2.000 177.969 176.000 -0.050 0.000 0.957 230 Q CA 0.645 56.439 55.803 -0.015 0.000 0.857 230 Q CB -0.072 28.669 28.738 0.004 0.000 0.929 230 Q HN 0.373 nan 8.270 nan 0.000 0.453 231 L N -1.162 120.039 121.223 -0.036 0.000 2.023 231 L HA -0.116 4.211 4.340 -0.022 0.000 0.205 231 L C 2.123 178.935 176.870 -0.097 0.000 1.073 231 L CA 0.791 55.594 54.840 -0.061 0.000 0.745 231 L CB -0.669 41.378 42.059 -0.020 0.000 0.900 231 L HN 0.022 nan 8.230 nan 0.000 0.435 232 V N -0.487 119.387 119.914 -0.068 0.000 2.380 232 V HA -0.331 3.776 4.120 -0.022 0.000 0.251 232 V C 2.768 178.770 176.094 -0.153 0.000 1.063 232 V CA 2.103 64.346 62.300 -0.095 0.000 1.055 232 V CB -0.688 31.093 31.823 -0.069 0.000 0.657 232 V HN 0.521 nan 8.190 nan 0.000 0.455 233 S N -0.445 115.178 115.700 -0.128 0.000 2.382 233 S HA -0.220 4.236 4.470 -0.022 0.000 0.228 233 S C 2.028 176.520 174.600 -0.180 0.000 1.027 233 S CA 2.254 60.374 58.200 -0.133 0.000 0.991 233 S CB -0.397 62.728 63.200 -0.124 0.000 0.823 233 S HN 0.694 nan 8.310 nan 0.000 0.469 234 T N 2.644 117.062 114.554 -0.227 0.000 2.777 234 T HA 0.030 4.367 4.350 -0.022 0.000 0.266 234 T C 1.734 176.216 174.700 -0.363 0.000 1.040 234 T CA 1.332 63.225 62.100 -0.345 0.000 1.141 234 T CB -0.446 68.124 68.868 -0.497 0.000 0.868 234 T HN 0.612 nan 8.240 nan 0.000 0.444 235 I N 0.355 120.752 120.570 -0.288 0.000 2.202 235 I HA -0.162 3.995 4.170 -0.022 0.000 0.242 235 I C 2.291 178.306 176.117 -0.170 0.000 1.091 235 I CA 1.624 62.815 61.300 -0.182 0.000 1.368 235 I CB -0.232 37.715 38.000 -0.087 0.000 1.058 235 I HN 0.232 nan 8.210 nan 0.000 0.410 236 M N 0.461 119.888 119.600 -0.289 0.000 2.149 236 M HA -0.209 4.258 4.480 -0.022 0.000 0.261 236 M C 2.403 178.627 176.300 -0.126 0.000 1.064 236 M CA 2.043 57.078 55.300 -0.442 0.000 1.102 236 M CB -0.321 31.916 32.600 -0.605 0.000 1.369 236 M HN 0.322 nan 8.290 nan 0.000 0.408 237 S N 0.343 115.981 115.700 -0.104 0.000 2.345 237 S HA -0.047 4.410 4.470 -0.022 0.000 0.220 237 S C 2.074 176.613 174.600 -0.101 0.000 1.031 237 S CA 1.281 59.401 58.200 -0.134 0.000 0.996 237 S CB -0.344 62.730 63.200 -0.210 0.000 0.882 237 S HN 0.562 nan 8.310 nan 0.000 0.445 238 A N 1.860 124.628 122.820 -0.086 0.000 1.877 238 A HA -0.083 4.224 4.320 -0.022 0.000 0.216 238 A C 2.193 179.803 177.584 0.044 0.000 1.186 238 A CA 1.878 53.919 52.037 0.008 0.000 0.620 238 A CB -1.021 18.024 19.000 0.074 0.000 0.822 238 A HN 0.616 nan 8.150 nan 0.000 0.443 239 S N -0.356 115.373 115.700 0.048 0.000 2.641 239 S HA -0.050 4.407 4.470 -0.022 0.000 0.239 239 S C 1.054 175.718 174.600 0.106 0.000 0.972 239 S CA 1.548 59.806 58.200 0.097 0.000 0.954 239 S CB -0.946 62.344 63.200 0.149 0.000 0.767 239 S HN 0.810 nan 8.310 nan 0.000 0.539 240 T N -3.140 111.454 114.554 0.068 0.000 3.144 240 T HA 0.163 4.499 4.350 -0.022 0.000 0.290 240 T C 1.444 176.160 174.700 0.027 0.000 0.966 240 T CA 0.324 62.486 62.100 0.102 0.000 0.907 240 T CB -0.123 68.826 68.868 0.135 0.000 1.152 240 T HN 0.453 nan 8.240 nan 0.000 0.532 241 T N 0.766 115.314 114.554 -0.010 0.000 2.833 241 T HA -0.179 4.157 4.350 -0.022 0.000 0.269 241 T C 2.145 176.846 174.700 0.001 0.000 1.054 241 T CA 1.912 63.973 62.100 -0.064 0.000 1.135 241 T CB -1.261 67.650 68.868 0.072 0.000 0.869 241 T HN 0.558 nan 8.240 nan 0.000 0.466 242 T N 0.078 114.669 114.554 0.061 0.000 3.072 242 T HA 0.209 4.545 4.350 -0.022 0.000 0.266 242 T C 1.814 176.556 174.700 0.070 0.000 1.127 242 T CA 0.373 62.522 62.100 0.082 0.000 1.107 242 T CB -0.574 68.340 68.868 0.077 0.000 0.910 242 T HN 0.462 nan 8.240 nan 0.000 0.513 243 L N -0.602 120.661 121.223 0.066 0.000 2.354 243 L HA 0.329 4.656 4.340 -0.022 0.000 0.212 243 L C 2.936 179.855 176.870 0.081 0.000 1.091 243 L CA 0.268 55.157 54.840 0.081 0.000 0.828 243 L CB -0.205 41.932 42.059 0.131 0.000 0.973 243 L HN 0.139 nan 8.230 nan 0.000 0.461 244 R N -0.704 119.795 120.500 -0.002 0.000 2.206 244 R HA 0.089 4.416 4.340 -0.022 0.000 0.198 244 R C 0.119 176.382 176.300 -0.060 0.000 0.986 244 R CA 0.480 56.539 56.100 -0.068 0.000 1.029 244 R CB 0.254 30.429 30.300 -0.208 0.000 0.966 244 R HN 0.292 nan 8.270 nan 0.000 0.487 245 Y N 2.557 122.948 120.300 0.153 0.000 2.553 245 Y HA 0.297 4.834 4.550 -0.022 0.000 0.369 245 Y C -2.112 173.840 175.900 0.086 0.000 0.964 245 Y CA -2.700 55.465 58.100 0.108 0.000 1.156 245 Y CB 0.646 39.152 38.460 0.078 0.000 1.218 245 Y HN -0.082 nan 8.280 nan 0.000 0.630 246 P HA 0.015 nan 4.420 nan 0.000 0.265 246 P C 0.281 177.652 177.300 0.118 0.000 1.187 246 P CA 0.702 63.875 63.100 0.122 0.000 0.766 246 P CB 1.923 33.676 31.700 0.089 0.000 0.820 247 G N 0.647 109.508 108.800 0.102 0.000 3.257 247 G HA2 0.232 4.178 3.960 -0.022 0.000 0.205 247 G HA3 0.232 4.178 3.960 -0.022 0.000 0.205 247 G C -0.355 174.621 174.900 0.127 0.000 1.234 247 G CA -0.358 44.814 45.100 0.120 0.000 0.918 247 G HN 0.434 nan 8.290 nan 0.000 0.602 248 Y N -0.019 120.302 120.300 0.035 0.000 2.269 248 Y HA 0.336 4.873 4.550 -0.022 0.000 0.294 248 Y C 1.508 177.424 175.900 0.027 0.000 1.120 248 Y CA 0.868 58.985 58.100 0.028 0.000 1.159 248 Y CB 0.233 38.706 38.460 0.022 0.000 1.024 248 Y HN 0.069 nan 8.280 nan 0.000 0.532 249 M N 0.178 119.860 119.600 0.136 0.000 2.494 249 M HA 0.171 4.638 4.480 -0.022 0.000 0.300 249 M C 0.193 176.510 176.300 0.029 0.000 1.189 249 M CA -0.389 54.944 55.300 0.055 0.000 0.982 249 M CB 0.530 33.200 32.600 0.116 0.000 1.534 249 M HN 0.326 nan 8.290 nan 0.000 0.488 250 N N 0.495 119.204 118.700 0.015 0.000 2.721 250 N HA -0.246 4.481 4.740 -0.022 0.000 0.249 250 N C -0.241 175.279 175.510 0.017 0.000 1.072 250 N CA 0.783 53.846 53.050 0.022 0.000 0.710 250 N CB -1.530 36.984 38.487 0.046 0.000 0.993 250 N HN 0.748 nan 8.380 nan 0.000 0.547 251 N N -1.193 117.500 118.700 -0.012 0.000 2.282 251 N HA 0.060 4.786 4.740 -0.022 0.000 0.185 251 N C -0.571 174.928 175.510 -0.019 0.000 1.099 251 N CA 0.138 53.182 53.050 -0.009 0.000 0.878 251 N CB 0.550 39.020 38.487 -0.028 0.000 0.993 251 N HN 0.167 nan 8.380 nan 0.000 0.481 252 D N 0.162 120.545 120.400 -0.028 0.000 2.193 252 D HA 0.091 4.718 4.640 -0.022 0.000 0.249 252 D C 0.967 177.253 176.300 -0.024 0.000 1.034 252 D CA -0.580 53.398 54.000 -0.037 0.000 0.902 252 D CB 2.159 42.935 40.800 -0.040 0.000 1.182 252 D HN -0.046 nan 8.370 nan 0.000 0.436 253 L N 3.214 124.414 121.223 -0.039 0.000 2.027 253 L HA -0.075 4.252 4.340 -0.022 0.000 0.206 253 L C 2.126 178.983 176.870 -0.021 0.000 1.074 253 L CA 1.504 56.328 54.840 -0.025 0.000 0.745 253 L CB -0.554 41.473 42.059 -0.054 0.000 0.898 253 L HN 0.601 nan 8.230 nan 0.000 0.433 254 I N -3.090 117.460 120.570 -0.033 0.000 2.700 254 I HA -0.061 4.096 4.170 -0.022 0.000 0.261 254 I C 2.073 178.184 176.117 -0.010 0.000 1.219 254 I CA 1.258 62.544 61.300 -0.024 0.000 1.463 254 I CB -1.350 36.634 38.000 -0.028 0.000 1.092 254 I HN 0.254 nan 8.210 nan 0.000 0.452 255 G N 1.791 110.586 108.800 -0.010 0.000 2.448 255 G HA2 0.024 3.971 3.960 -0.022 0.000 0.218 255 G HA3 0.024 3.971 3.960 -0.022 0.000 0.218 255 G C 1.569 176.477 174.900 0.013 0.000 1.135 255 G CA 0.528 45.627 45.100 -0.001 0.000 0.784 255 G HN 0.414 nan 8.290 nan 0.000 0.543 256 L N -0.135 121.098 121.223 0.016 0.000 2.115 256 L HA 0.245 4.572 4.340 -0.022 0.000 0.200 256 L C 2.570 179.457 176.870 0.028 0.000 1.094 256 L CA 0.358 55.216 54.840 0.029 0.000 0.769 256 L CB -0.726 41.355 42.059 0.037 0.000 0.931 256 L HN 0.133 nan 8.230 nan 0.000 0.455 257 I N 0.830 121.407 120.570 0.013 0.000 2.181 257 I HA -0.397 3.760 4.170 -0.022 0.000 0.247 257 I C 2.593 178.725 176.117 0.026 0.000 1.081 257 I CA 1.804 63.108 61.300 0.007 0.000 1.340 257 I CB -0.025 37.959 38.000 -0.027 0.000 1.036 257 I HN 0.282 nan 8.210 nan 0.000 0.417 258 A N 0.562 123.396 122.820 0.022 0.000 1.902 258 A HA -0.245 4.062 4.320 -0.022 0.000 0.217 258 A C 2.414 180.027 177.584 0.048 0.000 1.181 258 A CA 2.213 54.271 52.037 0.034 0.000 0.623 258 A CB -1.086 17.928 19.000 0.024 0.000 0.818 258 A HN 0.696 nan 8.150 nan 0.000 0.443 259 S N -0.842 114.884 115.700 0.044 0.000 2.515 259 S HA 0.103 4.560 4.470 -0.022 0.000 0.231 259 S C 1.446 176.087 174.600 0.068 0.000 0.987 259 S CA 1.151 59.381 58.200 0.050 0.000 0.936 259 S CB -0.328 62.897 63.200 0.041 0.000 0.766 259 S HN 0.432 nan 8.310 nan 0.000 0.528 260 L N -0.006 121.263 121.223 0.077 0.000 2.609 260 L HA 0.503 4.830 4.340 -0.022 0.000 0.230 260 L C -0.067 176.878 176.870 0.126 0.000 1.087 260 L CA 0.224 55.126 54.840 0.102 0.000 0.874 260 L CB 0.240 42.355 42.059 0.094 0.000 1.114 260 L HN 0.266 nan 8.230 nan 0.000 0.488 261 I N -0.058 120.581 120.570 0.115 0.000 2.495 261 I HA 0.215 4.372 4.170 -0.022 0.000 0.277 261 I C -1.903 174.295 176.117 0.134 0.000 1.045 261 I CA -1.328 60.056 61.300 0.141 0.000 1.135 261 I CB 1.584 39.665 38.000 0.134 0.000 1.241 261 I HN -0.170 nan 8.210 nan 0.000 0.469 262 P HA -0.036 nan 4.420 nan 0.000 0.218 262 P C 0.648 178.041 177.300 0.154 0.000 1.152 262 P CA 0.973 64.171 63.100 0.164 0.000 0.826 262 P CB 0.289 32.126 31.700 0.229 0.000 0.790 263 T N -1.815 112.837 114.554 0.164 0.000 2.887 263 T HA 0.530 4.866 4.350 -0.022 0.000 0.288 263 T C -2.718 172.054 174.700 0.121 0.000 1.021 263 T CA -2.704 59.468 62.100 0.120 0.000 1.000 263 T CB 1.033 69.955 68.868 0.090 0.000 1.034 263 T HN -0.325 nan 8.240 nan 0.000 0.467 264 P HA 0.392 nan 4.420 nan 0.000 0.300 264 P C 1.226 178.586 177.300 0.100 0.000 1.294 264 P CA 1.209 64.393 63.100 0.140 0.000 0.757 264 P CB -0.037 31.729 31.700 0.109 0.000 1.377 265 R N -1.847 118.698 120.500 0.074 0.000 1.256 265 R HA -0.247 4.079 4.340 -0.022 0.000 0.029 265 R C 1.079 177.219 176.300 -0.267 0.000 0.960 265 R CA 2.325 58.362 56.100 -0.105 0.000 1.873 265 R CB -3.136 27.147 30.300 -0.029 0.000 0.236 265 R HN 0.456 nan 8.270 nan 0.000 0.696 266 L N 3.824 125.028 121.223 -0.031 0.000 2.574 266 L HA 0.228 4.554 4.340 -0.022 0.000 0.281 266 L C 1.081 178.037 176.870 0.142 0.000 1.212 266 L CA 0.847 55.734 54.840 0.080 0.000 1.082 266 L CB -0.332 41.804 42.059 0.128 0.000 1.362 266 L HN 0.907 nan 8.230 nan 0.000 0.451 267 H N 0.412 119.632 119.070 0.250 0.000 2.885 267 H HA 0.222 4.763 4.556 -0.024 0.000 0.237 267 H C -0.865 174.421 175.328 -0.071 0.000 1.229 267 H CA -0.641 55.445 56.048 0.063 0.000 0.947 267 H CB -0.174 29.560 29.762 -0.046 0.000 2.223 267 H HN 0.241 nan 8.280 nan 0.000 0.628 268 F N 2.815 122.898 119.950 0.222 0.000 2.361 268 F HA 0.386 4.898 4.527 -0.025 0.000 0.364 268 F C 0.110 175.997 175.800 0.145 0.000 1.120 268 F CA -0.590 57.553 58.000 0.238 0.000 1.102 268 F CB 1.183 40.389 39.000 0.343 0.000 1.183 268 F HN 0.105 nan 8.300 nan 0.000 0.476 269 L N 4.313 125.648 121.223 0.187 0.000 2.344 269 L HA 0.644 4.971 4.340 -0.022 0.000 0.272 269 L C -0.137 176.792 176.870 0.098 0.000 1.035 269 L CA -0.907 54.013 54.840 0.133 0.000 0.807 269 L CB 1.500 43.612 42.059 0.089 0.000 1.237 269 L HN 0.502 nan 8.230 nan 0.000 0.442 270 M N 1.014 120.663 119.600 0.081 0.000 2.644 270 M HA 0.659 5.126 4.480 -0.022 0.000 0.316 270 M C -0.212 176.128 176.300 0.067 0.000 1.200 270 M CA -0.577 54.748 55.300 0.041 0.000 0.944 270 M CB 2.105 34.704 32.600 -0.002 0.000 1.691 270 M HN 0.696 nan 8.290 nan 0.000 0.471 271 T N -1.678 112.913 114.554 0.061 0.000 2.858 271 T HA 0.979 5.315 4.350 -0.022 0.000 0.285 271 T C -0.313 174.431 174.700 0.073 0.000 1.052 271 T CA -0.781 61.369 62.100 0.083 0.000 1.009 271 T CB 2.100 71.030 68.868 0.103 0.000 1.241 271 T HN 1.025 nan 8.240 nan 0.000 0.542 272 G N -0.717 108.144 108.800 0.102 0.000 2.616 272 G HA2 0.514 4.460 3.960 -0.022 0.000 0.294 272 G HA3 0.514 4.460 3.960 -0.022 0.000 0.294 272 G C -2.548 172.468 174.900 0.192 0.000 1.489 272 G CA -0.697 44.468 45.100 0.107 0.000 0.836 272 G HN 0.750 nan 8.290 nan 0.000 0.527 273 Y N 0.072 120.374 120.300 0.003 0.000 2.536 273 Y HA 0.645 5.181 4.550 -0.022 0.000 0.347 273 Y C 1.173 177.071 175.900 -0.002 0.000 1.000 273 Y CA -0.190 57.911 58.100 0.002 0.000 1.051 273 Y CB 2.448 40.908 38.460 0.000 0.000 1.259 273 Y HN 0.611 nan 8.280 nan 0.000 0.468 274 T N 2.476 116.742 114.554 -0.480 0.000 3.401 274 T HA 0.146 4.482 4.350 -0.022 0.000 0.225 274 T C -2.267 172.306 174.700 -0.212 0.000 0.961 274 T CA 0.091 62.017 62.100 -0.290 0.000 1.429 274 T CB -0.751 67.943 68.868 -0.290 0.000 1.213 274 T HN 0.494 nan 8.240 nan 0.000 0.440 275 P HA 0.194 nan 4.420 nan 0.000 0.263 275 P C 0.003 177.337 177.300 0.056 0.000 1.345 275 P CA 0.474 63.522 63.100 -0.087 0.000 1.119 275 P CB -0.036 31.617 31.700 -0.079 0.000 1.363 276 L N 2.204 123.465 121.223 0.063 0.000 2.354 276 L HA 0.050 4.377 4.340 -0.022 0.000 0.212 276 L C 1.768 178.677 176.870 0.064 0.000 1.091 276 L CA 1.141 56.044 54.840 0.106 0.000 0.828 276 L CB -0.036 42.067 42.059 0.074 0.000 0.973 276 L HN 0.410 nan 8.230 nan 0.000 0.461 277 T N -5.104 109.475 114.554 0.042 0.000 2.538 277 T HA 0.428 4.764 4.350 -0.022 0.000 0.216 277 T C 0.314 175.037 174.700 0.039 0.000 0.763 277 T CA 0.437 62.559 62.100 0.037 0.000 1.313 277 T CB 0.790 69.673 68.868 0.026 0.000 1.592 277 T HN 0.171 nan 8.240 nan 0.000 0.466 278 T N 0.110 114.690 114.554 0.044 0.000 0.541 278 T HA -0.019 4.318 4.350 -0.022 0.000 0.774 278 T C -0.230 174.491 174.700 0.034 0.000 0.992 278 T CA 1.532 63.656 62.100 0.040 0.000 4.077 278 T CB -2.052 66.833 68.868 0.030 0.000 2.303 278 T HN 2.214 nan 8.240 nan 0.000 0.398 279 D N -3.276 117.140 120.400 0.028 0.000 4.381 279 D HA 0.310 4.937 4.640 -0.022 0.000 0.128 279 D C -0.016 176.295 176.300 0.018 0.000 0.473 279 D CA 0.821 54.835 54.000 0.022 0.000 0.602 279 D CB -1.329 39.486 40.800 0.024 0.000 1.660 279 D HN 1.531 nan 8.370 nan 0.000 0.116 285 V N 1.491 121.405 119.914 -0.000 0.000 3.234 285 V HA 0.546 4.653 4.120 -0.022 0.000 0.317 285 V C 1.603 177.695 176.094 -0.003 0.000 1.081 285 V CA -0.441 61.858 62.300 -0.002 0.000 1.037 285 V CB 1.542 33.362 31.823 -0.003 0.000 1.148 285 V HN 0.941 nan 8.190 nan 0.000 0.453 286 R N 0.709 121.207 120.500 -0.004 0.000 2.161 286 R HA 0.281 4.608 4.340 -0.022 0.000 0.213 286 R C 0.198 176.494 176.300 -0.007 0.000 1.055 286 R CA 1.129 57.226 56.100 -0.005 0.000 0.996 286 R CB 0.136 30.433 30.300 -0.005 0.000 0.901 286 R HN 0.772 nan 8.270 nan 0.000 0.456 287 K N 0.220 120.615 120.400 -0.008 0.000 2.633 287 K HA 0.143 4.450 4.320 -0.022 0.000 0.268 287 K C -1.183 175.410 176.600 -0.013 0.000 1.005 287 K CA -0.330 55.951 56.287 -0.010 0.000 0.976 287 K CB 0.387 32.881 32.500 -0.010 0.000 1.372 287 K HN 0.139 nan 8.250 nan 0.000 0.420 288 T N -0.236 114.309 114.554 -0.016 0.000 2.864 288 T HA 0.678 5.015 4.350 -0.022 0.000 0.310 288 T C 0.347 175.033 174.700 -0.023 0.000 1.040 288 T CA 0.010 62.098 62.100 -0.021 0.000 0.977 288 T CB 0.803 69.657 68.868 -0.024 0.000 0.976 288 T HN 1.489 nan 8.240 nan 0.000 0.459 289 T N -0.699 113.842 114.554 -0.023 0.000 2.948 289 T HA 0.452 4.788 4.350 -0.022 0.000 0.285 289 T C 1.493 176.177 174.700 -0.027 0.000 1.019 289 T CA -0.773 61.314 62.100 -0.022 0.000 1.013 289 T CB 1.100 69.957 68.868 -0.018 0.000 1.117 289 T HN 0.210 nan 8.240 nan 0.000 0.533 290 V N 1.616 121.515 119.914 -0.025 0.000 2.794 290 V HA -0.144 3.962 4.120 -0.022 0.000 0.260 290 V C 2.442 178.519 176.094 -0.027 0.000 1.103 290 V CA 1.578 63.861 62.300 -0.027 0.000 1.125 290 V CB -1.503 30.308 31.823 -0.020 0.000 0.702 290 V HN 0.738 nan 8.190 nan 0.000 0.494 291 L N 1.191 122.400 121.223 -0.023 0.000 1.961 291 L HA -0.180 4.147 4.340 -0.022 0.000 0.210 291 L C 2.424 179.278 176.870 -0.026 0.000 1.072 291 L CA 2.256 57.083 54.840 -0.021 0.000 0.749 291 L CB -1.136 40.913 42.059 -0.017 0.000 0.889 291 L HN 0.482 nan 8.230 nan 0.000 0.432 292 D N -0.457 119.927 120.400 -0.027 0.000 2.310 292 D HA -0.119 4.508 4.640 -0.022 0.000 0.212 292 D C 1.930 178.206 176.300 -0.041 0.000 0.965 292 D CA 0.484 54.466 54.000 -0.030 0.000 0.879 292 D CB -0.414 40.370 40.800 -0.026 0.000 0.921 292 D HN 0.072 nan 8.370 nan 0.000 0.510 293 V N 0.291 120.176 119.914 -0.048 0.000 2.323 293 V HA -0.180 3.927 4.120 -0.022 0.000 0.244 293 V C 2.447 178.503 176.094 -0.064 0.000 1.041 293 V CA 1.589 63.848 62.300 -0.068 0.000 1.025 293 V CB -0.371 31.407 31.823 -0.074 0.000 0.656 293 V HN 0.243 nan 8.190 nan 0.000 0.451 294 M N -0.426 119.145 119.600 -0.048 0.000 2.200 294 M HA -0.115 4.351 4.480 -0.022 0.000 0.265 294 M C 2.644 178.917 176.300 -0.045 0.000 1.066 294 M CA 1.979 57.253 55.300 -0.044 0.000 1.127 294 M CB -0.437 32.145 32.600 -0.031 0.000 1.379 294 M HN 0.399 nan 8.290 nan 0.000 0.420 295 R N 1.019 121.495 120.500 -0.039 0.000 2.105 295 R HA -0.117 4.210 4.340 -0.022 0.000 0.239 295 R C 1.898 178.174 176.300 -0.039 0.000 1.135 295 R CA 2.125 58.203 56.100 -0.035 0.000 0.967 295 R CB -1.420 28.864 30.300 -0.027 0.000 0.861 295 R HN 0.458 nan 8.270 nan 0.000 0.442 296 R N -0.037 120.437 120.500 -0.042 0.000 2.093 296 R HA 0.217 4.544 4.340 -0.022 0.000 0.224 296 R C 2.322 178.596 176.300 -0.043 0.000 1.101 296 R CA 1.014 57.089 56.100 -0.041 0.000 0.979 296 R CB -0.252 30.020 30.300 -0.046 0.000 0.877 296 R HN 0.346 nan 8.270 nan 0.000 0.441 297 L N 0.728 121.920 121.223 -0.052 0.000 2.642 297 L HA -0.135 4.191 4.340 -0.022 0.000 0.236 297 L C 0.844 177.686 176.870 -0.046 0.000 1.169 297 L CA 0.437 55.250 54.840 -0.045 0.000 0.851 297 L CB -0.013 42.018 42.059 -0.048 0.000 0.968 297 L HN 0.170 nan 8.230 nan 0.000 0.453 298 L N -1.480 119.711 121.223 -0.054 0.000 2.731 298 L HA 0.161 4.488 4.340 -0.022 0.000 0.240 298 L C 0.753 177.605 176.870 -0.031 0.000 1.120 298 L CA 0.497 55.299 54.840 -0.064 0.000 0.913 298 L CB 0.164 42.165 42.059 -0.098 0.000 1.213 298 L HN 0.155 nan 8.230 nan 0.000 0.515 299 Q N 1.703 121.488 119.800 -0.025 0.000 2.295 299 Q HA 0.159 4.486 4.340 -0.022 0.000 0.259 299 Q C -1.300 174.691 176.000 -0.016 0.000 0.976 299 Q CA -1.655 54.138 55.803 -0.017 0.000 0.923 299 Q CB 0.928 29.657 28.738 -0.016 0.000 1.185 299 Q HN -0.017 nan 8.270 nan 0.000 0.410 300 P HA -0.282 nan 4.420 nan 0.000 0.220 300 P C 0.742 178.031 177.300 -0.020 0.000 1.144 300 P CA 1.459 64.542 63.100 -0.027 0.000 0.800 300 P CB 0.184 31.867 31.700 -0.029 0.000 0.772 301 K N -0.611 119.781 120.400 -0.013 0.000 2.362 301 K HA -0.065 4.242 4.320 -0.022 0.000 0.200 301 K C 1.388 177.986 176.600 -0.004 0.000 1.046 301 K CA 1.055 57.337 56.287 -0.008 0.000 0.952 301 K CB -0.489 32.007 32.500 -0.006 0.000 0.753 301 K HN 0.059 nan 8.250 nan 0.000 0.466 302 N N 0.732 119.430 118.700 -0.003 0.000 2.282 302 N HA 0.037 4.764 4.740 -0.022 0.000 0.185 302 N C -0.455 175.066 175.510 0.018 0.000 1.099 302 N CA 0.028 53.084 53.050 0.010 0.000 0.878 302 N CB 0.821 39.311 38.487 0.005 0.000 0.993 302 N HN -0.055 nan 8.380 nan 0.000 0.481 303 V N 2.847 122.762 119.914 0.002 0.000 2.439 303 V HA 0.089 4.196 4.120 -0.022 0.000 0.271 303 V C 1.091 177.181 176.094 -0.006 0.000 1.040 303 V CA 0.192 62.490 62.300 -0.004 0.000 1.002 303 V CB 0.451 32.253 31.823 -0.035 0.000 1.000 303 V HN 0.167 nan 8.190 nan 0.000 0.477 304 M N 6.099 125.704 119.600 0.008 0.000 3.520 304 M HA 0.208 4.675 4.480 -0.022 0.000 0.188 304 M C -0.695 175.593 176.300 -0.021 0.000 1.400 304 M CA 0.491 55.794 55.300 0.005 0.000 1.553 304 M CB -0.468 32.147 32.600 0.025 0.000 1.333 304 M HN 0.386 nan 8.290 nan 0.000 0.452 305 V N -1.250 118.638 119.914 -0.045 0.000 3.048 305 V HA 0.327 4.434 4.120 -0.022 0.000 0.303 305 V C -0.579 175.468 176.094 -0.078 0.000 1.214 305 V CA -0.942 61.308 62.300 -0.084 0.000 0.984 305 V CB 2.660 34.407 31.823 -0.128 0.000 1.054 305 V HN 0.283 nan 8.190 nan 0.000 0.430 306 S N 1.792 117.441 115.700 -0.084 0.000 2.438 306 S HA 0.675 5.131 4.470 -0.022 0.000 0.316 306 S C -0.219 174.330 174.600 -0.085 0.000 1.084 306 S CA -0.520 57.641 58.200 -0.065 0.000 1.107 306 S CB 1.347 64.523 63.200 -0.039 0.000 0.981 306 S HN 0.783 nan 8.310 nan 0.000 0.466 307 T N 2.466 116.977 114.554 -0.072 0.000 2.856 307 T HA 0.845 5.181 4.350 -0.022 0.000 0.283 307 T C 0.328 175.005 174.700 -0.039 0.000 1.008 307 T CA -0.648 61.409 62.100 -0.073 0.000 0.997 307 T CB 1.829 70.651 68.868 -0.075 0.000 0.992 307 T HN 0.783 nan 8.240 nan 0.000 0.454 314 N N -0.090 118.581 118.700 -0.049 0.000 2.030 314 N HA -0.275 4.452 4.740 -0.022 0.000 0.222 314 N C 0.090 175.563 175.510 -0.062 0.000 0.773 314 N CA 2.609 55.647 53.050 -0.019 0.000 3.553 314 N CB -2.034 36.365 38.487 -0.147 0.000 0.757 314 N HN 0.880 nan 8.380 nan 0.000 0.362 315 H N 1.955 120.922 119.070 -0.172 0.000 2.871 315 H HA 0.447 4.990 4.556 -0.022 0.000 0.355 315 H C 1.002 176.217 175.328 -0.189 0.000 1.092 315 H CA 0.766 56.658 56.048 -0.259 0.000 1.420 315 H CB 0.564 30.129 29.762 -0.328 0.000 1.400 315 H HN 0.755 nan 8.280 nan 0.000 0.604 316 C N 1.691 120.886 119.300 -0.175 0.000 3.321 316 C HA 0.510 4.956 4.460 -0.022 0.000 0.329 316 C C -0.661 174.208 174.990 -0.201 0.000 1.394 316 C CA -1.295 57.682 59.018 -0.068 0.000 1.291 316 C CB 0.214 28.034 27.740 0.134 0.000 1.606 316 C HN 0.621 nan 8.230 nan 0.000 0.463 317 Y N 0.239 120.620 120.300 0.135 0.000 2.299 317 Y HA 0.532 5.069 4.550 -0.022 0.000 0.335 317 Y C 1.404 177.413 175.900 0.181 0.000 1.287 317 Y CA -0.282 57.950 58.100 0.219 0.000 1.424 317 Y CB 0.497 38.959 38.460 0.004 0.000 1.326 317 Y HN 0.566 nan 8.280 nan 0.000 0.567 318 I N 0.211 121.002 120.570 0.367 0.000 4.323 318 I HA 0.390 4.546 4.170 -0.022 0.000 0.328 318 I C 0.151 176.418 176.117 0.250 0.000 1.310 318 I CA 0.294 61.753 61.300 0.264 0.000 1.186 318 I CB 0.513 38.685 38.000 0.287 0.000 1.130 318 I HN 0.601 nan 8.210 nan 0.000 0.411 319 A N 0.995 124.018 122.820 0.340 0.000 2.569 319 A HA 0.741 5.047 4.320 -0.022 0.000 0.292 319 A C -1.632 176.135 177.584 0.305 0.000 1.032 319 A CA -0.346 51.857 52.037 0.277 0.000 0.669 319 A CB 1.191 20.297 19.000 0.176 0.000 1.290 319 A HN 0.022 nan 8.150 nan 0.000 0.422 320 I N 0.740 121.452 120.570 0.238 0.000 2.644 320 I HA 0.475 4.632 4.170 -0.022 0.000 0.291 320 I C -1.557 174.623 176.117 0.105 0.000 1.180 320 I CA -0.613 60.782 61.300 0.159 0.000 1.040 320 I CB 2.124 40.172 38.000 0.079 0.000 1.255 320 I HN 0.633 nan 8.210 nan 0.000 0.422 321 L N 6.262 127.537 121.223 0.086 0.000 2.365 321 L HA 0.628 4.955 4.340 -0.022 0.000 0.273 321 L C -1.292 175.612 176.870 0.056 0.000 1.000 321 L CA -0.093 54.787 54.840 0.068 0.000 0.819 321 L CB 1.649 43.753 42.059 0.074 0.000 1.284 321 L HN 0.440 nan 8.230 nan 0.000 0.418 322 N N 4.893 123.620 118.700 0.044 0.000 2.399 322 N HA 0.548 5.275 4.740 -0.022 0.000 0.284 322 N C -1.318 174.217 175.510 0.042 0.000 1.025 322 N CA -0.115 52.956 53.050 0.034 0.000 0.885 322 N CB 1.880 40.375 38.487 0.013 0.000 1.339 322 N HN 0.526 nan 8.380 nan 0.000 0.487 323 I N 3.201 123.804 120.570 0.056 0.000 2.330 323 I HA 0.389 4.545 4.170 -0.022 0.000 0.289 323 I C -0.489 175.661 176.117 0.055 0.000 1.001 323 I CA -0.674 60.666 61.300 0.065 0.000 1.193 323 I CB 0.901 38.955 38.000 0.091 0.000 1.345 323 I HN 0.259 nan 8.210 nan 0.000 0.461 324 I N 6.456 127.051 120.570 0.041 0.000 2.377 324 I HA 0.303 4.459 4.170 -0.022 0.000 0.293 324 I C 0.051 176.192 176.117 0.040 0.000 0.987 324 I CA -0.167 61.147 61.300 0.024 0.000 1.185 324 I CB 1.458 39.460 38.000 0.004 0.000 1.341 324 I HN 0.499 nan 8.210 nan 0.000 0.455 325 Q N 3.428 123.252 119.800 0.039 0.000 2.248 325 Q HA 0.766 5.092 4.340 -0.022 0.000 0.263 325 Q C 0.243 176.253 176.000 0.016 0.000 1.007 325 Q CA -0.664 55.167 55.803 0.046 0.000 0.877 325 Q CB 2.051 30.833 28.738 0.074 0.000 1.315 325 Q HN 0.923 nan 8.270 nan 0.000 0.454 326 G N -0.225 108.579 108.800 0.006 0.000 2.698 326 G HA2 -0.091 3.856 3.960 -0.022 0.000 0.225 326 G HA3 -0.091 3.856 3.960 -0.022 0.000 0.225 326 G C -0.383 174.510 174.900 -0.011 0.000 1.345 326 G CA -0.473 44.620 45.100 -0.010 0.000 0.871 326 G HN 0.837 nan 8.290 nan 0.000 0.540 327 E N -1.530 118.660 120.200 -0.017 0.000 2.415 327 E HA 0.601 4.938 4.350 -0.022 0.000 0.262 327 E C 1.191 177.784 176.600 -0.012 0.000 1.038 327 E CA 1.083 57.473 56.400 -0.016 0.000 0.921 327 E CB 1.231 30.920 29.700 -0.018 0.000 0.950 327 E HN 1.995 nan 8.360 nan 0.000 0.438 328 V N -0.150 119.758 119.914 -0.010 0.000 4.518 328 V HA 0.144 4.251 4.120 -0.022 0.000 0.148 328 V C -0.705 175.384 176.094 -0.008 0.000 1.333 328 V CA 0.423 62.718 62.300 -0.008 0.000 1.088 328 V CB 0.118 31.938 31.823 -0.004 0.000 1.192 328 V HN 0.962 nan 8.190 nan 0.000 0.625 329 D N 0.699 121.095 120.400 -0.006 0.000 4.535 329 D HA -0.081 4.546 4.640 -0.022 0.000 0.236 329 D C -2.412 173.885 176.300 -0.005 0.000 1.142 329 D CA 0.452 54.448 54.000 -0.006 0.000 1.102 329 D CB -0.293 40.502 40.800 -0.008 0.000 0.703 329 D HN 0.333 nan 8.370 nan 0.000 0.331 330 P HA -0.098 nan 4.420 nan 0.000 0.261 330 P C 0.969 178.266 177.300 -0.005 0.000 1.277 330 P CA 1.036 64.135 63.100 -0.002 0.000 0.748 330 P CB 0.208 31.908 31.700 0.000 0.000 1.062 331 T N -3.208 111.343 114.554 -0.006 0.000 3.033 331 T HA -0.047 4.290 4.350 -0.022 0.000 0.248 331 T C 2.284 176.979 174.700 -0.008 0.000 1.040 331 T CA 1.112 63.208 62.100 -0.007 0.000 1.133 331 T CB -0.548 68.316 68.868 -0.008 0.000 0.895 331 T HN 0.129 nan 8.240 nan 0.000 0.465 332 Q N 1.223 121.019 119.800 -0.008 0.000 2.170 332 Q HA -0.037 4.290 4.340 -0.022 0.000 0.203 332 Q C 2.570 178.565 176.000 -0.009 0.000 0.976 332 Q CA 1.659 57.457 55.803 -0.009 0.000 0.858 332 Q CB -1.477 27.255 28.738 -0.010 0.000 0.907 332 Q HN 0.509 nan 8.270 nan 0.000 0.433 333 V N 0.392 120.302 119.914 -0.008 0.000 2.343 333 V HA -0.250 3.857 4.120 -0.022 0.000 0.247 333 V C 2.644 178.733 176.094 -0.007 0.000 1.051 333 V CA 2.541 64.837 62.300 -0.007 0.000 1.036 333 V CB -1.632 30.189 31.823 -0.004 0.000 0.654 333 V HN 0.972 nan 8.190 nan 0.000 0.451 334 H N -0.176 118.890 119.070 -0.008 0.000 2.421 334 H HA -0.073 4.470 4.556 -0.022 0.000 0.298 334 H C 2.361 177.683 175.328 -0.009 0.000 1.087 334 H CA 2.723 58.765 56.048 -0.009 0.000 1.330 334 H CB -0.556 29.201 29.762 -0.009 0.000 1.388 334 H HN 0.599 nan 8.280 nan 0.000 0.526 335 K N 1.027 121.423 120.400 -0.008 0.000 2.103 335 K HA -0.073 4.233 4.320 -0.022 0.000 0.204 335 K C 2.766 179.361 176.600 -0.007 0.000 1.052 335 K CA 1.749 58.032 56.287 -0.007 0.000 0.945 335 K CB -1.056 31.440 32.500 -0.008 0.000 0.722 335 K HN 0.879 nan 8.250 nan 0.000 0.443 336 S N 1.028 116.723 115.700 -0.008 0.000 2.368 336 S HA -0.097 4.359 4.470 -0.022 0.000 0.224 336 S C 2.238 176.835 174.600 -0.005 0.000 1.029 336 S CA 1.327 59.522 58.200 -0.008 0.000 0.988 336 S CB -0.489 62.704 63.200 -0.011 0.000 0.838 336 S HN 0.437 nan 8.310 nan 0.000 0.462 337 L N 1.624 122.845 121.223 -0.004 0.000 2.017 337 L HA -0.147 4.179 4.340 -0.022 0.000 0.208 337 L C 3.633 180.505 176.870 0.002 0.000 1.073 337 L CA 1.882 56.722 54.840 0.000 0.000 0.745 337 L CB -1.449 40.606 42.059 -0.007 0.000 0.894 337 L HN 0.579 nan 8.230 nan 0.000 0.432 338 Q N 0.241 120.039 119.800 -0.002 0.000 2.014 338 Q HA -0.255 4.072 4.340 -0.022 0.000 0.207 338 Q C 2.290 178.291 176.000 0.003 0.000 0.993 338 Q CA 1.934 57.737 55.803 -0.001 0.000 0.850 338 Q CB -0.942 27.793 28.738 -0.004 0.000 0.916 338 Q HN 0.377 nan 8.270 nan 0.000 0.417 339 R N 0.119 120.620 120.500 0.001 0.000 2.139 339 R HA -0.048 4.279 4.340 -0.022 0.000 0.243 339 R C 2.313 178.616 176.300 0.006 0.000 1.145 339 R CA 1.602 57.703 56.100 0.002 0.000 0.976 339 R CB -0.782 29.517 30.300 -0.002 0.000 0.866 339 R HN 0.706 nan 8.270 nan 0.000 0.449 340 I N 0.075 120.650 120.570 0.009 0.000 2.233 340 I HA -0.215 3.941 4.170 -0.022 0.000 0.243 340 I C 2.816 178.952 176.117 0.032 0.000 1.093 340 I CA 0.927 62.237 61.300 0.016 0.000 1.380 340 I CB -0.342 37.671 38.000 0.021 0.000 1.067 340 I HN 0.113 nan 8.210 nan 0.000 0.413 341 R N 0.995 121.515 120.500 0.033 0.000 2.105 341 R HA -0.193 4.133 4.340 -0.022 0.000 0.239 341 R C 2.037 178.355 176.300 0.029 0.000 1.135 341 R CA 1.515 57.638 56.100 0.038 0.000 0.967 341 R CB 0.004 30.315 30.300 0.018 0.000 0.861 341 R HN 0.332 nan 8.270 nan 0.000 0.442 342 E N -0.080 120.131 120.200 0.019 0.000 2.230 342 E HA -0.066 4.270 4.350 -0.022 0.000 0.192 342 E C 1.440 178.050 176.600 0.015 0.000 0.987 342 E CA 0.617 57.026 56.400 0.015 0.000 0.841 342 E CB 0.215 29.920 29.700 0.009 0.000 0.783 342 E HN 0.346 nan 8.360 nan 0.000 0.481 343 R N 0.584 121.093 120.500 0.015 0.000 2.356 343 R HA 0.058 4.385 4.340 -0.022 0.000 0.234 343 R C 0.769 177.079 176.300 0.016 0.000 0.929 343 R CA 0.598 56.705 56.100 0.012 0.000 1.084 343 R CB -0.081 30.223 30.300 0.006 0.000 1.105 343 R HN -0.038 nan 8.270 nan 0.000 0.515 344 K N 1.142 121.558 120.400 0.026 0.000 3.177 344 K HA -0.197 4.110 4.320 -0.022 0.000 0.266 344 K C 0.522 177.136 176.600 0.023 0.000 0.937 344 K CA 1.391 57.698 56.287 0.034 0.000 0.702 344 K CB -2.675 29.845 32.500 0.034 0.000 1.365 344 K HN 0.359 nan 8.250 nan 0.000 0.466 345 L N -1.636 119.593 121.223 0.011 0.000 2.418 345 L HA 0.267 4.593 4.340 -0.022 0.000 0.218 345 L C 1.359 178.197 176.870 -0.052 0.000 1.125 345 L CA 0.857 55.689 54.840 -0.013 0.000 0.835 345 L CB 0.347 42.394 42.059 -0.021 0.000 0.953 345 L HN 0.755 nan 8.230 nan 0.000 0.454 346 A N 0.387 123.166 122.820 -0.068 0.000 2.340 346 A HA 0.386 4.692 4.320 -0.022 0.000 0.297 346 A C -0.738 176.725 177.584 -0.203 0.000 1.195 346 A CA -0.456 51.424 52.037 -0.263 0.000 0.769 346 A CB 0.449 19.180 19.000 -0.448 0.000 1.163 346 A HN 0.115 nan 8.150 nan 0.000 0.472 347 N N 2.620 121.272 118.700 -0.080 0.000 2.482 347 N HA 0.462 5.188 4.740 -0.022 0.000 0.242 347 N C -0.862 174.680 175.510 0.054 0.000 1.100 347 N CA 0.129 53.212 53.050 0.055 0.000 0.946 347 N CB -0.324 38.238 38.487 0.125 0.000 1.227 347 N HN 0.426 nan 8.380 nan 0.000 0.508 348 F N 2.361 122.398 119.950 0.145 0.000 2.348 348 F HA 0.419 4.933 4.527 -0.023 0.000 0.308 348 F C 1.464 177.293 175.800 0.049 0.000 1.175 348 F CA -1.090 56.980 58.000 0.116 0.000 1.080 348 F CB 0.376 39.379 39.000 0.006 0.000 1.341 348 F HN 0.276 nan 8.300 nan 0.000 0.518 349 I N 0.333 121.015 120.570 0.186 0.000 3.161 349 I HA 0.088 4.245 4.170 -0.022 0.000 0.284 349 I C -1.872 174.199 176.117 -0.075 0.000 1.252 349 I CA -1.193 60.079 61.300 -0.046 0.000 1.374 349 I CB -0.008 37.644 38.000 -0.580 0.000 1.359 349 I HN 0.364 nan 8.210 nan 0.000 0.606 350 P HA 0.052 nan 4.420 nan 0.000 0.251 350 P C 0.801 178.135 177.300 0.057 0.000 1.198 350 P CA 0.680 63.809 63.100 0.049 0.000 0.847 350 P CB 0.117 31.893 31.700 0.127 0.000 1.082 351 W N 0.886 122.214 121.300 0.048 0.000 3.433 351 W HA 0.603 5.250 4.660 -0.022 0.000 0.376 351 W C -0.243 176.297 176.519 0.036 0.000 1.160 351 W CA 0.079 57.444 57.345 0.033 0.000 1.832 351 W CB -0.533 28.943 29.460 0.026 0.000 1.011 351 W HN -0.094 nan 8.180 nan 0.000 0.766 352 G N 0.749 109.418 108.800 -0.218 0.000 2.317 352 G HA2 0.227 4.174 3.960 -0.022 0.000 0.293 352 G HA3 0.227 4.174 3.960 -0.022 0.000 0.293 352 G C -3.092 171.664 174.900 -0.240 0.000 1.287 352 G CA -1.170 43.800 45.100 -0.216 0.000 0.850 352 G HN -0.276 nan 8.290 nan 0.000 0.515 353 P HA 0.426 nan 4.420 nan 0.000 0.257 353 P C 0.063 177.186 177.300 -0.295 0.000 1.227 353 P CA 0.497 63.478 63.100 -0.197 0.000 0.981 353 P CB 0.519 32.135 31.700 -0.140 0.000 1.044 354 A N 2.831 125.441 122.820 -0.349 0.000 2.544 354 A HA 0.538 4.845 4.320 -0.022 0.000 0.301 354 A C 0.718 177.712 177.584 -0.983 0.000 1.368 354 A CA 0.425 52.068 52.037 -0.656 0.000 1.045 354 A CB -0.980 17.752 19.000 -0.447 0.000 1.129 354 A HN 0.527 nan 8.150 nan 0.000 0.540 355 S N 2.094 117.232 115.700 -0.937 0.000 2.548 355 S HA 0.671 5.128 4.470 -0.022 0.000 0.276 355 S C -0.396 173.990 174.600 -0.356 0.000 1.129 355 S CA -0.572 57.248 58.200 -0.633 0.000 0.931 355 S CB 0.845 63.862 63.200 -0.306 0.000 1.068 355 S HN 1.316 nan 8.310 nan 0.000 0.480 356 I N 1.978 122.446 120.570 -0.171 0.000 2.354 356 I HA 0.495 4.651 4.170 -0.022 0.000 0.292 356 I C -0.567 175.553 176.117 0.005 0.000 0.989 356 I CA -0.425 60.902 61.300 0.046 0.000 1.188 356 I CB 1.337 39.423 38.000 0.144 0.000 1.342 356 I HN 0.725 nan 8.210 nan 0.000 0.457 357 Q N 5.613 125.428 119.800 0.024 0.000 2.222 357 Q HA 0.583 4.910 4.340 -0.022 0.000 0.252 357 Q C -1.173 174.842 176.000 0.025 0.000 0.926 357 Q CA -0.881 54.933 55.803 0.018 0.000 0.899 357 Q CB 2.785 31.539 28.738 0.026 0.000 1.250 357 Q HN 0.566 nan 8.270 nan 0.000 0.441 358 V N 1.025 120.951 119.914 0.020 0.000 2.540 358 V HA 0.736 4.842 4.120 -0.022 0.000 0.302 358 V C -0.817 175.296 176.094 0.031 0.000 1.035 358 V CA -0.752 61.562 62.300 0.023 0.000 0.873 358 V CB 1.642 33.473 31.823 0.014 0.000 0.992 358 V HN 0.836 nan 8.190 nan 0.000 0.428 359 A N 3.899 126.742 122.820 0.039 0.000 2.332 359 A HA 0.817 5.124 4.320 -0.022 0.000 0.300 359 A C -0.342 177.272 177.584 0.051 0.000 1.153 359 A CA -0.386 51.680 52.037 0.049 0.000 0.764 359 A CB 1.267 20.302 19.000 0.058 0.000 1.174 359 A HN 1.628 nan 8.150 nan 0.000 0.467 360 L N 2.209 123.462 121.223 0.049 0.000 2.358 360 L HA 0.705 5.032 4.340 -0.022 0.000 0.274 360 L C 0.608 177.515 176.870 0.063 0.000 1.136 360 L CA 0.128 54.995 54.840 0.046 0.000 0.970 360 L CB -0.663 41.416 42.059 0.032 0.000 1.314 360 L HN 0.919 nan 8.230 nan 0.000 0.427 361 S N 1.848 117.596 115.700 0.081 0.000 2.652 361 S HA 0.744 5.201 4.470 -0.022 0.000 0.270 361 S C 0.846 175.510 174.600 0.106 0.000 1.243 361 S CA -0.400 57.870 58.200 0.116 0.000 0.999 361 S CB 0.880 64.169 63.200 0.147 0.000 0.973 361 S HN 0.852 nan 8.310 nan 0.000 0.544 362 R N 1.038 121.616 120.500 0.129 0.000 2.527 362 R HA 0.581 4.907 4.340 -0.022 0.000 0.236 362 R C -0.137 176.184 176.300 0.035 0.000 1.257 362 R CA -0.718 55.398 56.100 0.027 0.000 1.088 362 R CB 0.385 30.644 30.300 -0.069 0.000 1.396 362 R HN 0.562 nan 8.270 nan 0.000 0.571 363 K N -0.284 120.018 120.400 -0.163 0.000 2.261 363 K HA 0.347 4.654 4.320 -0.022 0.000 0.242 363 K C -0.812 175.447 176.600 -0.569 0.000 1.083 363 K CA -0.846 55.345 56.287 -0.161 0.000 0.880 363 K CB 1.856 34.314 32.500 -0.071 0.000 1.353 363 K HN 0.642 nan 8.250 nan 0.000 0.486 364 S N 0.151 115.643 115.700 -0.345 0.000 2.586 364 S HA 0.299 4.756 4.470 -0.022 0.000 0.274 364 S C -2.389 171.996 174.600 -0.358 0.000 1.281 364 S CA -1.219 56.779 58.200 -0.337 0.000 1.035 364 S CB 1.037 64.335 63.200 0.163 0.000 0.962 364 S HN 0.244 nan 8.310 nan 0.000 0.512 365 P HA 0.205 nan 4.420 nan 0.000 0.271 365 P C -1.411 175.034 177.300 -1.424 0.000 1.601 365 P CA 0.373 62.909 63.100 -0.941 0.000 0.856 365 P CB -0.956 30.227 31.700 -0.861 0.000 1.820 366 Y N -2.366 117.877 120.300 -0.094 0.000 2.390 366 Y HA 0.446 4.983 4.550 -0.022 0.000 0.324 366 Y C 0.995 176.861 175.900 -0.057 0.000 1.151 366 Y CA -1.603 56.457 58.100 -0.066 0.000 1.053 366 Y CB -0.102 38.320 38.460 -0.063 0.000 1.277 366 Y HN -0.054 nan 8.280 nan 0.000 0.432 373 V N 1.133 121.032 119.914 -0.026 0.000 3.264 373 V HA 0.558 4.664 4.120 -0.022 0.000 0.304 373 V C 0.192 176.256 176.094 -0.051 0.000 1.086 373 V CA -0.117 62.163 62.300 -0.034 0.000 1.090 373 V CB 1.452 33.250 31.823 -0.042 0.000 1.112 373 V HN 0.705 nan 8.190 nan 0.000 0.472 374 S N -0.063 115.596 115.700 -0.069 0.000 2.535 374 S HA 0.728 5.185 4.470 -0.022 0.000 0.272 374 S C -0.643 173.851 174.600 -0.177 0.000 1.149 374 S CA 0.087 58.208 58.200 -0.132 0.000 0.888 374 S CB 1.558 64.754 63.200 -0.006 0.000 1.110 374 S HN 1.382 nan 8.310 nan 0.000 0.463 375 G N 2.200 110.763 108.800 -0.395 0.000 2.701 375 G HA2 0.659 4.606 3.960 -0.022 0.000 0.300 375 G HA3 0.659 4.606 3.960 -0.022 0.000 0.300 375 G C -2.000 172.728 174.900 -0.286 0.000 1.410 375 G CA -0.583 44.361 45.100 -0.261 0.000 1.014 375 G HN 0.893 nan 8.290 nan 0.000 0.509 376 L N 2.546 123.788 121.223 0.031 0.000 2.356 376 L HA 0.775 5.102 4.340 -0.022 0.000 0.277 376 L C -0.129 176.811 176.870 0.116 0.000 0.996 376 L CA -0.907 54.058 54.840 0.209 0.000 0.822 376 L CB 1.902 44.150 42.059 0.316 0.000 1.256 376 L HN 0.610 nan 8.230 nan 0.000 0.413 377 M N 5.476 125.141 119.600 0.109 0.000 2.528 377 M HA 0.579 5.046 4.480 -0.022 0.000 0.318 377 M C -1.531 174.829 176.300 0.100 0.000 1.195 377 M CA -0.482 54.865 55.300 0.078 0.000 1.000 377 M CB 1.768 34.397 32.600 0.049 0.000 1.615 377 M HN 0.711 nan 8.290 nan 0.000 0.469 378 M N 3.516 123.174 119.600 0.096 0.000 2.182 378 M HA 0.497 4.964 4.480 -0.022 0.000 0.266 378 M C -1.528 174.848 176.300 0.126 0.000 0.989 378 M CA -0.444 54.920 55.300 0.108 0.000 1.003 378 M CB 2.048 34.710 32.600 0.102 0.000 1.812 378 M HN 0.744 nan 8.290 nan 0.000 0.472 379 A N 2.785 125.697 122.820 0.154 0.000 2.401 379 A HA 0.670 4.976 4.320 -0.022 0.000 0.310 379 A C -1.194 176.524 177.584 0.223 0.000 1.075 379 A CA -0.774 51.403 52.037 0.233 0.000 0.746 379 A CB 1.438 20.665 19.000 0.379 0.000 1.277 379 A HN 0.898 nan 8.150 nan 0.000 0.425 380 N N 0.994 119.849 118.700 0.258 0.000 2.589 380 N HA 0.362 5.089 4.740 -0.022 0.000 0.232 380 N C -1.041 174.613 175.510 0.240 0.000 1.015 380 N CA -0.230 52.954 53.050 0.225 0.000 0.931 380 N CB 0.246 38.864 38.487 0.218 0.000 1.150 380 N HN 0.773 nan 8.380 nan 0.000 0.512 381 H N 1.346 120.411 119.070 -0.009 0.000 2.499 381 H HA 0.315 4.857 4.556 -0.022 0.000 0.340 381 H C 0.914 176.132 175.328 -0.183 0.000 1.148 381 H CA -0.261 55.658 56.048 -0.214 0.000 1.215 381 H CB 1.674 31.145 29.762 -0.485 0.000 1.529 381 H HN 0.333 nan 8.280 nan 0.000 0.510 382 T N 1.181 115.372 114.554 -0.603 0.000 2.737 382 T HA -0.162 4.175 4.350 -0.022 0.000 0.265 382 T C 1.897 176.125 174.700 -0.785 0.000 1.038 382 T CA 1.599 63.407 62.100 -0.486 0.000 1.144 382 T CB -0.403 68.281 68.868 -0.307 0.000 0.866 382 T HN 0.713 nan 8.240 nan 0.000 0.434 383 S N 1.385 116.422 115.700 -1.105 0.000 2.571 383 S HA -0.042 4.415 4.470 -0.022 0.000 0.245 383 S C 1.784 176.057 174.600 -0.546 0.000 0.976 383 S CA 0.170 57.751 58.200 -1.032 0.000 0.954 383 S CB -0.846 62.056 63.200 -0.496 0.000 0.756 383 S HN 0.351 nan 8.310 nan 0.000 0.535 384 I N 3.047 123.344 120.570 -0.456 0.000 2.493 384 I HA -0.118 4.039 4.170 -0.022 0.000 0.254 384 I C 2.261 177.889 176.117 -0.814 0.000 1.160 384 I CA 1.124 62.142 61.300 -0.470 0.000 1.445 384 I CB -0.617 37.224 38.000 -0.265 0.000 1.086 384 I HN 0.475 nan 8.210 nan 0.000 0.433 385 S N -1.091 114.235 115.700 -0.624 0.000 2.442 385 S HA -0.200 4.256 4.470 -0.022 0.000 0.236 385 S C 2.184 176.507 174.600 -0.462 0.000 1.007 385 S CA 1.193 59.071 58.200 -0.537 0.000 0.965 385 S CB -1.129 61.993 63.200 -0.130 0.000 0.773 385 S HN 0.553 nan 8.310 nan 0.000 0.504 386 S N 2.015 117.477 115.700 -0.397 0.000 2.380 386 S HA -0.098 4.359 4.470 -0.022 0.000 0.229 386 S C 1.776 176.236 174.600 -0.232 0.000 1.043 386 S CA 1.490 59.547 58.200 -0.238 0.000 1.038 386 S CB -0.677 62.402 63.200 -0.201 0.000 0.872 386 S HN 0.628 nan 8.310 nan 0.000 0.456 387 L N -0.192 120.795 121.223 -0.394 0.000 2.046 387 L HA -0.070 4.256 4.340 -0.022 0.000 0.208 387 L C 2.366 179.229 176.870 -0.012 0.000 1.077 387 L CA 1.618 56.321 54.840 -0.229 0.000 0.747 387 L CB -0.776 41.066 42.059 -0.362 0.000 0.896 387 L HN 0.399 nan 8.230 nan 0.000 0.432 388 F N 0.447 120.383 119.950 -0.023 0.000 2.134 388 F HA -0.202 4.314 4.527 -0.019 0.000 0.299 388 F C 3.084 178.866 175.800 -0.031 0.000 1.097 388 F CA 0.765 58.742 58.000 -0.038 0.000 1.264 388 F CB -0.790 38.129 39.000 -0.135 0.000 1.001 388 F HN 0.174 nan 8.300 nan 0.000 0.479 389 E N 1.396 121.657 120.200 0.102 0.000 2.017 389 E HA -0.233 4.103 4.350 -0.022 0.000 0.193 389 E C 2.023 178.650 176.600 0.046 0.000 0.997 389 E CA 1.343 57.776 56.400 0.056 0.000 0.804 389 E CB -1.057 28.650 29.700 0.012 0.000 0.757 389 E HN 0.363 nan 8.360 nan 0.000 0.448 390 R N -0.127 120.388 120.500 0.024 0.000 2.261 390 R HA -0.131 4.196 4.340 -0.022 0.000 0.236 390 R C 2.127 178.457 176.300 0.049 0.000 1.141 390 R CA 1.938 58.054 56.100 0.026 0.000 1.001 390 R CB -0.449 29.859 30.300 0.013 0.000 0.866 390 R HN 0.500 nan 8.270 nan 0.000 0.468 391 T N -1.060 113.540 114.554 0.077 0.000 2.983 391 T HA -0.033 4.303 4.350 -0.022 0.000 0.250 391 T C 1.836 176.576 174.700 0.067 0.000 1.037 391 T CA 0.836 62.979 62.100 0.071 0.000 1.142 391 T CB -0.062 68.862 68.868 0.093 0.000 0.876 391 T HN 0.346 nan 8.240 nan 0.000 0.455 392 C N 1.822 121.171 119.300 0.081 0.000 2.446 392 C HA 0.036 4.483 4.460 -0.022 0.000 0.277 392 C C 3.374 178.418 174.990 0.091 0.000 1.275 392 C CA 1.027 60.117 59.018 0.120 0.000 1.727 392 C CB -1.265 26.535 27.740 0.099 0.000 2.010 392 C HN 0.681 nan 8.230 nan 0.000 0.486 393 R N 0.610 121.138 120.500 0.047 0.000 2.117 393 R HA -0.214 4.113 4.340 -0.022 0.000 0.243 393 R C 1.785 178.081 176.300 -0.006 0.000 1.143 393 R CA 2.213 58.322 56.100 0.014 0.000 0.968 393 R CB -1.144 29.163 30.300 0.011 0.000 0.863 393 R HN 0.789 nan 8.270 nan 0.000 0.444 394 Q N -1.820 117.984 119.800 0.006 0.000 2.033 394 Q HA -0.055 4.272 4.340 -0.022 0.000 0.196 394 Q C 2.196 178.158 176.000 -0.064 0.000 0.970 394 Q CA 1.317 57.108 55.803 -0.021 0.000 0.828 394 Q CB -0.231 28.505 28.738 -0.003 0.000 0.895 394 Q HN 0.755 nan 8.270 nan 0.000 0.440 395 Y N 2.538 122.735 120.300 -0.171 0.000 2.053 395 Y HA -0.340 4.196 4.550 -0.024 0.000 0.277 395 Y C 1.712 177.507 175.900 -0.176 0.000 1.159 395 Y CA 1.967 59.902 58.100 -0.275 0.000 1.125 395 Y CB -0.583 37.740 38.460 -0.227 0.000 0.969 395 Y HN 0.113 nan 8.280 nan 0.000 0.492 396 D N 0.194 120.397 120.400 -0.328 0.000 2.177 396 D HA -0.342 4.285 4.640 -0.022 0.000 0.189 396 D C 2.368 178.487 176.300 -0.301 0.000 1.002 396 D CA 2.811 56.592 54.000 -0.365 0.000 0.845 396 D CB -0.653 40.072 40.800 -0.125 0.000 0.960 396 D HN 0.488 nan 8.370 nan 0.000 0.447 397 K N 1.522 121.815 120.400 -0.178 0.000 2.001 397 K HA -0.187 4.119 4.320 -0.022 0.000 0.223 397 K C 2.441 178.947 176.600 -0.158 0.000 1.055 397 K CA 1.950 58.157 56.287 -0.133 0.000 0.965 397 K CB -1.538 30.911 32.500 -0.086 0.000 0.730 397 K HN 0.277 nan 8.250 nan 0.000 0.449 398 L N -0.429 120.687 121.223 -0.178 0.000 2.261 398 L HA -0.168 4.158 4.340 -0.022 0.000 0.216 398 L C 2.918 179.723 176.870 -0.109 0.000 1.114 398 L CA 1.676 56.428 54.840 -0.146 0.000 0.777 398 L CB -0.340 41.625 42.059 -0.156 0.000 0.910 398 L HN 0.438 nan 8.230 nan 0.000 0.440 399 R N 1.346 121.694 120.500 -0.253 0.000 2.055 399 R HA -0.070 4.257 4.340 -0.022 0.000 0.226 399 R C 2.487 178.715 176.300 -0.119 0.000 1.135 399 R CA 1.829 57.814 56.100 -0.192 0.000 0.959 399 R CB -0.572 29.368 30.300 -0.601 0.000 0.854 399 R HN 0.144 nan 8.270 nan 0.000 0.431 400 K N 1.003 121.313 120.400 -0.150 0.000 2.589 400 K HA -0.091 4.215 4.320 -0.022 0.000 0.195 400 K C 1.556 178.111 176.600 -0.075 0.000 1.040 400 K CA 1.798 58.026 56.287 -0.098 0.000 0.950 400 K CB -0.639 31.805 32.500 -0.094 0.000 0.781 400 K HN 0.425 nan 8.250 nan 0.000 0.486 401 R N -0.887 119.567 120.500 -0.077 0.000 2.509 401 R HA 0.164 4.491 4.340 -0.022 0.000 0.297 401 R C -0.481 175.777 176.300 -0.070 0.000 0.951 401 R CA -0.030 56.025 56.100 -0.076 0.000 1.103 401 R CB 0.419 30.659 30.300 -0.099 0.000 1.283 401 R HN 0.549 nan 8.270 nan 0.000 0.534 402 E N 0.550 120.726 120.200 -0.040 0.000 2.360 402 E HA -0.217 4.120 4.350 -0.022 0.000 0.238 402 E C -0.623 175.949 176.600 -0.045 0.000 1.186 402 E CA 0.409 56.796 56.400 -0.022 0.000 0.719 402 E CB -1.046 28.632 29.700 -0.035 0.000 1.236 402 E HN 0.476 nan 8.360 nan 0.000 0.386 403 A N -0.122 122.657 122.820 -0.068 0.000 2.440 403 A HA 0.414 4.720 4.320 -0.022 0.000 0.251 403 A C 0.680 178.205 177.584 -0.097 0.000 1.089 403 A CA 0.420 52.288 52.037 -0.282 0.000 0.779 403 A CB -0.296 18.436 19.000 -0.447 0.000 1.022 403 A HN 0.460 nan 8.150 nan 0.000 0.492 404 F N -0.240 119.775 119.950 0.109 0.000 3.066 404 F HA -0.307 4.205 4.527 -0.026 0.000 0.295 404 F C 1.217 177.024 175.800 0.013 0.000 0.774 404 F CA 0.614 58.663 58.000 0.083 0.000 1.008 404 F CB -1.666 37.417 39.000 0.139 0.000 1.339 404 F HN 0.529 nan 8.300 nan 0.000 0.388 405 L N -0.160 121.121 121.223 0.097 0.000 2.556 405 L HA -0.153 4.174 4.340 -0.022 0.000 0.230 405 L C 1.182 178.049 176.870 -0.004 0.000 1.163 405 L CA 1.172 55.995 54.840 -0.029 0.000 0.819 405 L CB -0.408 41.609 42.059 -0.070 0.000 0.939 405 L HN 0.134 nan 8.230 nan 0.000 0.452 406 E N 0.962 121.199 120.200 0.062 0.000 2.042 406 E HA 0.104 4.441 4.350 -0.022 0.000 0.260 406 E C 0.407 177.050 176.600 0.071 0.000 0.975 406 E CA -0.046 56.388 56.400 0.057 0.000 0.799 406 E CB 0.154 29.893 29.700 0.064 0.000 1.131 406 E HN 0.377 nan 8.360 nan 0.000 0.423 407 Q N 0.436 120.267 119.800 0.052 0.000 2.959 407 Q HA -0.076 4.250 4.340 -0.022 0.000 0.169 407 Q C 0.488 176.520 176.000 0.053 0.000 0.839 407 Q CA 0.497 56.333 55.803 0.055 0.000 0.578 407 Q CB -1.269 27.505 28.738 0.061 0.000 0.943 407 Q HN 0.257 nan 8.270 nan 0.000 0.430 408 F N 1.600 121.573 119.950 0.039 0.000 2.343 408 F HA 0.533 5.046 4.527 -0.022 0.000 0.286 408 F C 2.471 178.258 175.800 -0.022 0.000 1.057 408 F CA 1.039 59.068 58.000 0.047 0.000 1.365 408 F CB -0.673 38.371 39.000 0.073 0.000 1.114 408 F HN 0.345 nan 8.300 nan 0.000 0.545 409 R N 1.360 121.823 120.500 -0.061 0.000 2.389 409 R HA 0.365 4.692 4.340 -0.022 0.000 0.210 409 R C 1.146 177.440 176.300 -0.009 0.000 1.157 409 R CA 1.097 57.136 56.100 -0.101 0.000 1.169 409 R CB -2.405 27.850 30.300 -0.075 0.000 1.004 409 R HN 0.948 nan 8.270 nan 0.000 0.482 410 K N 1.452 121.857 120.400 0.008 0.000 2.498 410 K HA 0.230 4.536 4.320 -0.022 0.000 0.207 410 K C 0.002 176.646 176.600 0.072 0.000 1.033 410 K CA 0.478 56.809 56.287 0.073 0.000 1.138 410 K CB -0.364 32.174 32.500 0.063 0.000 0.860 410 K HN 0.839 nan 8.250 nan 0.000 0.490 411 E N -0.477 119.701 120.200 -0.037 0.000 2.749 411 E HA 0.145 4.482 4.350 -0.022 0.000 0.360 411 E C -1.562 174.860 176.600 -0.296 0.000 1.037 411 E CA -0.333 56.039 56.400 -0.047 0.000 0.684 411 E CB -1.111 28.605 29.700 0.027 0.000 1.422 411 E HN 0.194 nan 8.360 nan 0.000 0.407 412 D N 1.485 121.440 120.400 -0.742 0.000 2.723 412 D HA -0.205 4.422 4.640 -0.022 0.000 0.236 412 D C -0.214 175.606 176.300 -0.800 0.000 1.138 412 D CA 1.413 54.911 54.000 -0.836 0.000 0.676 412 D CB -0.777 39.909 40.800 -0.190 0.000 1.069 412 D HN 0.497 nan 8.370 nan 0.000 0.430 413 M N -0.312 118.600 119.600 -1.146 0.000 3.320 413 M HA 0.338 4.805 4.480 -0.022 0.000 0.414 413 M C -0.525 175.454 176.300 -0.535 0.000 1.553 413 M CA -0.273 54.668 55.300 -0.598 0.000 0.742 413 M CB 0.430 32.808 32.600 -0.369 0.000 1.434 413 M HN 0.111 nan 8.290 nan 0.000 0.505 414 F N 0.718 120.627 119.950 -0.069 0.000 2.695 414 F HA 0.228 4.756 4.527 0.002 0.000 0.301 414 F C 0.970 176.723 175.800 -0.078 0.000 1.182 414 F CA -0.179 57.782 58.000 -0.065 0.000 1.412 414 F CB -0.515 38.461 39.000 -0.039 0.000 1.056 414 F HN 0.202 nan 8.300 nan 0.000 0.522 415 K N -1.979 118.383 120.400 -0.063 0.000 2.398 415 K HA 0.298 4.604 4.320 -0.022 0.000 0.264 415 K C -1.880 174.605 176.600 -0.192 0.000 0.766 415 K CA -1.043 55.194 56.287 -0.083 0.000 0.607 415 K CB 0.715 33.202 32.500 -0.022 0.000 1.312 415 K HN -0.305 nan 8.250 nan 0.000 0.334 416 D N 0.746 121.059 120.400 -0.144 0.000 2.620 416 D HA 0.199 4.826 4.640 -0.022 0.000 0.252 416 D C -0.568 175.710 176.300 -0.037 0.000 1.207 416 D CA -0.433 53.464 54.000 -0.171 0.000 0.884 416 D CB 1.685 42.391 40.800 -0.157 0.000 1.262 416 D HN 0.559 nan 8.370 nan 0.000 0.552 417 N N 2.337 121.049 118.700 0.020 0.000 2.373 417 N HA 0.025 4.751 4.740 -0.022 0.000 0.181 417 N C 1.304 176.893 175.510 0.133 0.000 1.082 417 N CA 0.027 53.105 53.050 0.047 0.000 0.885 417 N CB 0.197 38.678 38.487 -0.010 0.000 0.977 417 N HN 0.362 nan 8.380 nan 0.000 0.462 418 F N 1.149 121.015 119.950 -0.140 0.000 2.134 418 F HA -0.159 4.344 4.527 -0.039 0.000 0.299 418 F C 1.961 177.721 175.800 -0.067 0.000 1.097 418 F CA 0.668 58.593 58.000 -0.125 0.000 1.264 418 F CB 0.087 39.123 39.000 0.060 0.000 1.001 418 F HN 0.020 nan 8.300 nan 0.000 0.479 419 D N 0.522 121.050 120.400 0.214 0.000 2.144 419 D HA -0.142 4.484 4.640 -0.022 0.000 0.199 419 D C 2.327 178.660 176.300 0.056 0.000 0.984 419 D CA 1.556 55.637 54.000 0.135 0.000 0.834 419 D CB -0.534 40.323 40.800 0.096 0.000 0.955 419 D HN 0.459 nan 8.370 nan 0.000 0.465 420 E N 1.226 121.444 120.200 0.030 0.000 2.031 420 E HA -0.201 4.135 4.350 -0.022 0.000 0.193 420 E C 2.302 178.882 176.600 -0.033 0.000 0.994 420 E CA 2.217 58.617 56.400 0.000 0.000 0.800 420 E CB -1.215 28.483 29.700 -0.003 0.000 0.752 420 E HN 0.370 nan 8.360 nan 0.000 0.447 421 M N 1.170 120.723 119.600 -0.078 0.000 2.084 421 M HA -0.120 4.346 4.480 -0.022 0.000 0.259 421 M C 2.342 178.553 176.300 -0.149 0.000 1.072 421 M CA 3.185 58.397 55.300 -0.147 0.000 1.107 421 M CB -1.534 30.902 32.600 -0.273 0.000 1.299 421 M HN 0.606 nan 8.290 nan 0.000 0.413 422 D N 0.007 120.307 120.400 -0.168 0.000 2.157 422 D HA -0.230 4.396 4.640 -0.022 0.000 0.191 422 D C 2.073 178.350 176.300 -0.038 0.000 1.004 422 D CA 3.655 57.592 54.000 -0.105 0.000 0.854 422 D CB -0.230 40.601 40.800 0.052 0.000 0.936 422 D HN 0.675 nan 8.370 nan 0.000 0.446 423 T N -2.463 112.083 114.554 -0.013 0.000 2.746 423 T HA -0.135 4.201 4.350 -0.022 0.000 0.267 423 T C 2.237 176.920 174.700 -0.029 0.000 1.039 423 T CA 1.494 63.590 62.100 -0.008 0.000 1.142 423 T CB -0.735 68.135 68.868 0.003 0.000 0.866 423 T HN -0.002 nan 8.240 nan 0.000 0.444 424 S N 1.383 117.057 115.700 -0.044 0.000 2.359 424 S HA -0.088 4.368 4.470 -0.022 0.000 0.224 424 S C 2.842 177.392 174.600 -0.083 0.000 1.035 424 S CA 1.763 59.932 58.200 -0.052 0.000 1.018 424 S CB -0.727 62.443 63.200 -0.050 0.000 0.876 424 S HN 0.821 nan 8.310 nan 0.000 0.448 425 R N 1.217 121.649 120.500 -0.113 0.000 2.096 425 R HA -0.024 4.302 4.340 -0.022 0.000 0.235 425 R C 1.921 178.156 176.300 -0.108 0.000 1.127 425 R CA 2.021 58.023 56.100 -0.163 0.000 0.968 425 R CB -1.381 28.815 30.300 -0.172 0.000 0.861 425 R HN 0.509 nan 8.270 nan 0.000 0.440 426 E N 0.319 120.487 120.200 -0.054 0.000 2.204 426 E HA -0.015 4.321 4.350 -0.022 0.000 0.194 426 E C 1.814 178.399 176.600 -0.025 0.000 0.989 426 E CA 0.973 57.361 56.400 -0.019 0.000 0.824 426 E CB -0.277 29.423 29.700 -0.000 0.000 0.756 426 E HN 0.653 nan 8.360 nan 0.000 0.477 427 I N -0.511 120.035 120.570 -0.041 0.000 2.252 427 I HA -0.242 3.915 4.170 -0.022 0.000 0.245 427 I C 1.868 177.956 176.117 -0.048 0.000 1.102 427 I CA 0.774 62.052 61.300 -0.037 0.000 1.385 427 I CB -0.014 37.964 38.000 -0.037 0.000 1.064 427 I HN 0.069 nan 8.210 nan 0.000 0.414 428 V N 0.372 120.230 119.914 -0.093 0.000 2.407 428 V HA -0.283 3.824 4.120 -0.022 0.000 0.248 428 V C 2.266 178.339 176.094 -0.035 0.000 1.055 428 V CA 1.661 63.886 62.300 -0.126 0.000 1.049 428 V CB -0.876 30.734 31.823 -0.355 0.000 0.662 428 V HN 0.498 nan 8.190 nan 0.000 0.455 429 Q N -0.589 119.213 119.800 0.003 0.000 2.230 429 Q HA -0.162 4.165 4.340 -0.022 0.000 0.202 429 Q C 2.352 178.378 176.000 0.043 0.000 0.963 429 Q CA 0.895 56.738 55.803 0.065 0.000 0.866 429 Q CB -0.183 28.599 28.738 0.074 0.000 0.931 429 Q HN 0.585 nan 8.270 nan 0.000 0.452 430 Q N 0.497 120.309 119.800 0.020 0.000 2.079 430 Q HA -0.068 4.258 4.340 -0.022 0.000 0.200 430 Q C 2.056 178.068 176.000 0.020 0.000 0.974 430 Q CA 1.036 56.850 55.803 0.019 0.000 0.840 430 Q CB -0.146 28.594 28.738 0.003 0.000 0.898 430 Q HN 0.274 nan 8.270 nan 0.000 0.430 431 L N 0.058 121.284 121.223 0.007 0.000 2.179 431 L HA -0.039 4.287 4.340 -0.022 0.000 0.208 431 L C 2.140 179.029 176.870 0.030 0.000 1.096 431 L CA 0.835 55.673 54.840 -0.003 0.000 0.779 431 L CB -0.483 41.565 42.059 -0.020 0.000 0.922 431 L HN 0.159 nan 8.230 nan 0.000 0.443 432 I N -0.417 120.185 120.570 0.052 0.000 2.315 432 I HA -0.260 3.896 4.170 -0.022 0.000 0.248 432 I C 1.987 178.175 176.117 0.118 0.000 1.117 432 I CA 1.402 62.746 61.300 0.073 0.000 1.404 432 I CB -0.705 37.326 38.000 0.051 0.000 1.071 432 I HN 0.345 nan 8.210 nan 0.000 0.419 433 D N 0.992 121.472 120.400 0.133 0.000 2.137 433 D HA -0.124 4.503 4.640 -0.022 0.000 0.202 433 D C 2.150 178.649 176.300 0.332 0.000 0.970 433 D CA 1.476 55.618 54.000 0.237 0.000 0.837 433 D CB 0.223 41.115 40.800 0.152 0.000 0.981 433 D HN 0.430 nan 8.370 nan 0.000 0.475 434 E N 0.189 120.469 120.200 0.132 0.000 2.265 434 E HA -0.195 4.142 4.350 -0.022 0.000 0.196 434 E C 2.042 178.628 176.600 -0.024 0.000 0.996 434 E CA 1.432 57.847 56.400 0.025 0.000 0.832 434 E CB -1.830 27.850 29.700 -0.032 0.000 0.756 434 E HN 0.688 nan 8.360 nan 0.000 0.491 435 Y N 0.567 120.909 120.300 0.070 0.000 2.457 435 Y HA 0.013 4.549 4.550 -0.022 0.000 0.292 435 Y C 2.291 178.404 175.900 0.355 0.000 1.125 435 Y CA 1.483 59.644 58.100 0.102 0.000 1.254 435 Y CB -0.743 37.835 38.460 0.197 0.000 1.012 435 Y HN 0.831 nan 8.280 nan 0.000 0.555 436 H N -0.393 118.792 119.070 0.191 0.000 2.548 436 H HA 0.493 5.036 4.556 -0.023 0.000 0.265 436 H C 0.751 176.192 175.328 0.188 0.000 0.969 436 H CA 0.534 56.709 56.048 0.212 0.000 1.155 436 H CB -0.596 29.248 29.762 0.137 0.000 1.394 436 H HN 0.480 nan 8.280 nan 0.000 0.570 437 A N 1.197 123.818 122.820 -0.332 0.000 2.409 437 A HA 0.537 4.844 4.320 -0.022 0.000 0.267 437 A C 1.651 179.227 177.584 -0.013 0.000 1.127 437 A CA 0.229 52.086 52.037 -0.301 0.000 0.795 437 A CB 0.175 19.016 19.000 -0.265 0.000 1.061 437 A HN 0.526 nan 8.150 nan 0.000 0.502 438 A N 2.622 125.457 122.820 0.025 0.000 2.024 438 A HA -0.090 4.216 4.320 -0.022 0.000 0.220 438 A C 2.053 179.696 177.584 0.097 0.000 1.164 438 A CA 2.468 54.578 52.037 0.122 0.000 0.643 438 A CB -0.948 18.095 19.000 0.072 0.000 0.806 438 A HN 0.822 nan 8.150 nan 0.000 0.451 439 T N -0.410 114.147 114.554 0.005 0.000 2.708 439 T HA -0.085 4.252 4.350 -0.022 0.000 0.266 439 T C 1.339 175.994 174.700 -0.075 0.000 1.037 439 T CA 0.745 62.830 62.100 -0.026 0.000 1.146 439 T CB -0.321 68.516 68.868 -0.052 0.000 0.865 439 T HN 0.530 nan 8.240 nan 0.000 0.435 440 R N 0.000 120.393 120.500 -0.178 0.000 2.786 440 R HA 0.000 4.327 4.340 -0.022 0.000 0.208 440 R CA 0.000 55.858 56.100 -0.404 0.000 0.921 440 R CB 0.000 29.731 30.300 -0.948 0.000 0.687 440 R HN 0.000 nan 8.270 nan 0.000 0.535