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 3nzq_1_B DATA FIRST_RESID 34 DATA SEQUENCE KMLRTYNIAW WGNNYYDVNE LGHISVCPDP DVPEARVDLA QLVKTREAQG DATA SEQUENCE QRLPALFCFP QILQHRLRSI NAAFKRARES YGYNGDYFLV YPIKVNQHRR DATA SEQUENCE VIESLIHSGE PLGLEAGSKA ELMAVLAHAG MTRSVIVCNG YKDREYIRLA DATA SEQUENCE LIGEKMGHKV YLVIEKMSEI AIVLDEAERL NVVPRLGVRA RLASQGSGKW DATA SEQUENCE QSSGGEKSKF GLAATQVLQL VETLREAGRL DSLQLLHFHL GSQMANIRDI DATA SEQUENCE ATGVRESARF YVELHKLGVN IQCFDVGGGL GVDYEGTRSQ SDCSVNYGLN DATA SEQUENCE EYANNIIWAI GDACEENGLP HPTVITESGR AVTAHHTVLV SNIIGVERNE DATA SEQUENCE YTVPTAPAED APRALQSMWE TWQEMHEPGT RRSLREWLHD SQMDLHDIHI DATA SEQUENCE GYSSGIFSLQ ERAWAEQLYL SMCHEVQKQL DPQNRAHRPI IDELQERMAD DATA SEQUENCE KMYVNFSLFQ SMPDAWGIDQ LFPVLPLEGL DQVPERRAVL LDITCDSDGA DATA SEQUENCE IDHYIDGDGI ATTMPMPEYD PENPPMLGFF MVGAYQEILG NMHNLFGDTE DATA SEQUENCE AVDVFVFPDG SVEVELSDEG DTVADMLQYV QLDPKTLLTQ FRDQVKKTDL DATA SEQUENCE DAELQQQFLE EFEAGLYGYT YLEDELEH 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 34 K HA 0.000 nan 4.320 nan 0.000 0.191 34 K C 0.000 176.589 176.600 -0.019 0.000 0.988 34 K CA 0.000 56.284 56.287 -0.005 0.000 0.838 34 K CB 0.000 32.490 32.500 -0.017 0.000 1.064 35 M N 1.382 120.974 119.600 -0.013 0.000 2.419 35 M HA 0.067 4.547 4.480 -0.001 0.000 0.264 35 M C 1.188 177.519 176.300 0.052 0.000 1.082 35 M CA 1.025 56.297 55.300 -0.047 0.000 1.119 35 M CB 0.233 32.836 32.600 0.005 0.000 1.398 35 M HN 0.212 nan 8.290 nan 0.000 0.453 36 L N -1.446 119.837 121.223 0.100 0.000 2.418 36 L HA 0.070 4.410 4.340 -0.001 0.000 0.218 36 L C 1.958 178.914 176.870 0.143 0.000 1.125 36 L CA 1.400 56.325 54.840 0.143 0.000 0.835 36 L CB -1.696 40.404 42.059 0.067 0.000 0.953 36 L HN 0.371 nan 8.230 nan 0.000 0.454 37 R N 1.042 121.607 120.500 0.108 0.000 2.156 37 R HA 0.009 4.348 4.340 -0.001 0.000 0.207 37 R C 1.874 178.242 176.300 0.114 0.000 1.040 37 R CA 1.368 57.559 56.100 0.153 0.000 1.013 37 R CB -0.045 30.319 30.300 0.107 0.000 0.931 37 R HN 0.627 nan 8.270 nan 0.000 0.465 38 T N -2.698 111.860 114.554 0.007 0.000 3.113 38 T HA 0.012 4.362 4.350 -0.001 0.000 0.256 38 T C 1.467 176.136 174.700 -0.051 0.000 1.131 38 T CA 0.581 62.631 62.100 -0.084 0.000 1.074 38 T CB -0.219 68.521 68.868 -0.213 0.000 0.944 38 T HN 0.271 nan 8.240 nan 0.000 0.516 39 Y N 1.362 121.749 120.300 0.144 0.000 2.449 39 Y HA 0.263 4.813 4.550 -0.000 0.000 0.254 39 Y C 0.787 176.916 175.900 0.382 0.000 1.140 39 Y CA -0.897 57.340 58.100 0.228 0.000 1.272 39 Y CB 0.250 38.835 38.460 0.208 0.000 1.114 39 Y HN 0.131 nan 8.280 nan 0.000 0.525 40 N N 0.339 119.302 118.700 0.439 0.000 2.708 40 N HA -0.282 4.457 4.740 -0.001 0.000 0.251 40 N C 0.908 176.563 175.510 0.241 0.000 1.123 40 N CA 1.213 54.560 53.050 0.494 0.000 0.739 40 N CB -1.615 37.151 38.487 0.464 0.000 1.113 40 N HN 0.471 nan 8.380 nan 0.000 0.561 41 I N 0.646 121.211 120.570 -0.008 0.000 2.185 41 I HA -0.333 3.836 4.170 -0.001 0.000 0.246 41 I C 2.474 178.175 176.117 -0.694 0.000 1.088 41 I CA 1.965 62.834 61.300 -0.719 0.000 1.347 41 I CB -0.324 37.423 38.000 -0.423 0.000 1.041 41 I HN 0.363 nan 8.210 nan 0.000 0.415 42 A N 0.221 122.845 122.820 -0.326 0.000 1.978 42 A HA -0.220 4.100 4.320 -0.001 0.000 0.220 42 A C 2.150 179.448 177.584 -0.477 0.000 1.170 42 A CA 1.392 53.157 52.037 -0.453 0.000 0.636 42 A CB -0.711 17.923 19.000 -0.609 0.000 0.810 42 A HN 0.576 nan 8.150 nan 0.000 0.448 43 W N -0.363 120.802 121.300 -0.224 0.000 2.488 43 W HA -0.017 4.642 4.660 -0.001 0.000 0.304 43 W C 2.321 178.831 176.519 -0.016 0.000 1.175 43 W CA 0.695 57.990 57.345 -0.082 0.000 1.365 43 W CB -0.888 28.587 29.460 0.026 0.000 1.131 43 W HN 0.739 nan 8.180 nan 0.000 0.520 44 W N 0.405 121.862 121.300 0.262 0.000 3.256 44 W HA 0.319 4.979 4.660 -0.001 0.000 0.269 44 W C 1.529 178.173 176.519 0.210 0.000 1.310 44 W CA 0.663 58.120 57.345 0.187 0.000 1.673 44 W CB -1.546 27.992 29.460 0.130 0.000 1.115 44 W HN -0.161 nan 8.180 nan 0.000 0.686 45 G N 1.834 110.400 108.800 -0.390 0.000 2.572 45 G HA2 -0.240 3.720 3.960 -0.001 0.000 0.216 45 G HA3 -0.240 3.720 3.960 -0.001 0.000 0.216 45 G C 0.644 175.511 174.900 -0.055 0.000 1.133 45 G CA 0.354 45.256 45.100 -0.330 0.000 0.791 45 G HN 0.277 nan 8.290 nan 0.000 0.538 46 N N 0.693 119.353 118.700 -0.067 0.000 2.686 46 N HA -0.211 4.528 4.740 -0.001 0.000 0.249 46 N C 0.548 175.787 175.510 -0.453 0.000 1.082 46 N CA 1.047 54.012 53.050 -0.142 0.000 0.725 46 N CB -0.893 37.618 38.487 0.039 0.000 1.009 46 N HN 0.476 nan 8.380 nan 0.000 0.545 47 N N -4.344 114.107 118.700 -0.414 0.000 2.909 47 N HA -0.264 4.476 4.740 -0.001 0.000 0.242 47 N C 0.246 175.396 175.510 -0.599 0.000 0.975 47 N CA 1.793 54.548 53.050 -0.493 0.000 0.921 47 N CB -1.481 36.700 38.487 -0.509 0.000 1.112 47 N HN 0.631 nan 8.380 nan 0.000 0.581 48 Y N -0.601 119.428 120.300 -0.450 0.000 2.301 48 Y HA 0.137 4.687 4.550 -0.001 0.000 0.295 48 Y C 0.792 176.211 175.900 -0.802 0.000 1.119 48 Y CA 0.625 58.310 58.100 -0.691 0.000 1.162 48 Y CB 0.141 38.081 38.460 -0.866 0.000 1.046 48 Y HN 0.055 nan 8.280 nan 0.000 0.538 49 Y N 0.177 120.359 120.300 -0.197 0.000 2.446 49 Y HA 0.515 5.065 4.550 -0.001 0.000 0.338 49 Y C -0.749 174.931 175.900 -0.366 0.000 1.055 49 Y CA -1.489 56.436 58.100 -0.292 0.000 1.101 49 Y CB 1.819 40.056 38.460 -0.370 0.000 1.221 49 Y HN -0.131 nan 8.280 nan 0.000 0.460 50 D N -0.439 119.872 120.400 -0.149 0.000 2.720 50 D HA 0.345 4.985 4.640 -0.001 0.000 0.239 50 D C -1.934 174.299 176.300 -0.111 0.000 1.218 50 D CA -0.499 53.393 54.000 -0.180 0.000 0.748 50 D CB 1.775 42.457 40.800 -0.197 0.000 1.387 50 D HN 0.249 nan 8.370 nan 0.000 0.438 51 V N 3.848 123.706 119.914 -0.093 0.000 2.427 51 V HA 0.269 4.388 4.120 -0.001 0.000 0.268 51 V C 0.995 177.060 176.094 -0.049 0.000 1.046 51 V CA -0.514 61.761 62.300 -0.041 0.000 0.970 51 V CB 0.118 31.932 31.823 -0.014 0.000 1.001 51 V HN 0.594 nan 8.190 nan 0.000 0.476 52 N N 4.540 123.218 118.700 -0.037 0.000 2.263 52 N HA 0.051 4.791 4.740 -0.001 0.000 0.239 52 N C 0.474 175.945 175.510 -0.065 0.000 1.317 52 N CA -0.644 52.373 53.050 -0.055 0.000 0.909 52 N CB 0.592 39.050 38.487 -0.048 0.000 1.171 52 N HN 0.698 nan 8.380 nan 0.000 0.492 53 E N 0.009 120.165 120.200 -0.073 0.000 2.441 53 E HA -0.041 4.309 4.350 -0.001 0.000 0.210 53 E C 0.135 176.675 176.600 -0.099 0.000 1.306 53 E CA 0.128 56.484 56.400 -0.073 0.000 1.307 53 E CB -0.360 29.301 29.700 -0.064 0.000 1.297 53 E HN 0.615 nan 8.360 nan 0.000 0.440 54 L N -1.376 119.766 121.223 -0.134 0.000 3.826 54 L HA 0.302 4.642 4.340 -0.001 0.000 0.362 54 L C 1.078 177.788 176.870 -0.266 0.000 1.235 54 L CA 0.962 55.659 54.840 -0.238 0.000 1.207 54 L CB 0.583 42.424 42.059 -0.362 0.000 1.518 54 L HN 0.276 nan 8.230 nan 0.000 0.628 55 G N -0.597 108.144 108.800 -0.098 0.000 2.284 55 G HA2 -0.312 3.648 3.960 -0.001 0.000 0.247 55 G HA3 -0.312 3.648 3.960 -0.001 0.000 0.247 55 G C 0.520 175.514 174.900 0.156 0.000 1.012 55 G CA 0.613 45.728 45.100 0.024 0.000 0.618 55 G HN 0.565 nan 8.290 nan 0.000 0.521 56 H N 0.297 119.365 119.070 -0.003 0.000 2.615 56 H HA 0.486 5.042 4.556 -0.001 0.000 0.363 56 H C 0.197 175.520 175.328 -0.008 0.000 1.148 56 H CA -0.497 55.549 56.048 -0.004 0.000 1.401 56 H CB 1.684 31.441 29.762 -0.008 0.000 1.461 56 H HN 0.171 nan 8.280 nan 0.000 0.588 57 I N 3.026 123.674 120.570 0.130 0.000 2.337 57 I HA 0.066 4.236 4.170 -0.001 0.000 0.291 57 I C 0.077 176.235 176.117 0.068 0.000 1.046 57 I CA 0.111 61.454 61.300 0.071 0.000 1.324 57 I CB 0.011 38.059 38.000 0.080 0.000 1.409 57 I HN 0.591 nan 8.210 nan 0.000 0.494 58 S N 7.324 123.036 115.700 0.021 0.000 2.638 58 S HA 0.697 5.167 4.470 -0.001 0.000 0.298 58 S C -0.564 173.999 174.600 -0.061 0.000 1.111 58 S CA -0.691 57.502 58.200 -0.012 0.000 1.027 58 S CB 2.259 65.435 63.200 -0.039 0.000 1.064 58 S HN 0.614 nan 8.310 nan 0.000 0.525 59 V N 1.013 120.845 119.914 -0.137 0.000 2.656 59 V HA 0.638 4.758 4.120 -0.001 0.000 0.307 59 V C -1.006 174.873 176.094 -0.358 0.000 1.051 59 V CA -0.733 61.363 62.300 -0.341 0.000 0.893 59 V CB 1.281 32.762 31.823 -0.570 0.000 0.999 59 V HN 1.218 nan 8.190 nan 0.000 0.426 60 C N 9.804 128.870 119.300 -0.391 0.000 2.439 60 C HA 0.580 5.039 4.460 -0.001 0.000 0.298 60 C C -0.599 174.215 174.990 -0.294 0.000 1.094 60 C CA -1.376 57.467 59.018 -0.293 0.000 1.609 60 C CB 0.520 28.101 27.740 -0.265 0.000 1.723 60 C HN 0.890 nan 8.230 nan 0.000 0.423 61 P HA -0.121 nan 4.420 nan 0.000 0.218 61 P C 0.088 177.365 177.300 -0.039 0.000 1.146 61 P CA 1.641 64.634 63.100 -0.179 0.000 0.820 61 P CB 0.212 31.852 31.700 -0.100 0.000 0.778 62 D N -0.635 119.718 120.400 -0.079 0.000 2.358 62 D HA 0.146 4.786 4.640 -0.001 0.000 0.253 62 D C -1.996 174.209 176.300 -0.158 0.000 1.288 62 D CA -2.086 51.882 54.000 -0.053 0.000 0.950 62 D CB 1.614 42.460 40.800 0.076 0.000 1.197 62 D HN 0.002 nan 8.370 nan 0.000 0.550 63 P HA -0.001 nan 4.420 nan 0.000 0.239 63 P C 0.427 177.656 177.300 -0.119 0.000 1.184 63 P CA 0.250 63.144 63.100 -0.343 0.000 0.760 63 P CB 0.644 31.978 31.700 -0.611 0.000 0.884 64 D N 0.120 120.532 120.400 0.020 0.000 2.317 64 D HA -0.025 4.614 4.640 -0.001 0.000 0.211 64 D C 0.976 177.289 176.300 0.021 0.000 0.966 64 D CA 0.912 54.953 54.000 0.068 0.000 0.876 64 D CB 0.215 41.090 40.800 0.126 0.000 0.927 64 D HN 0.182 nan 8.370 nan 0.000 0.519 65 V N -1.333 118.581 119.914 0.001 0.000 2.320 65 V HA 0.296 4.416 4.120 -0.001 0.000 0.257 65 V C -2.046 174.023 176.094 -0.041 0.000 0.996 65 V CA -1.374 60.923 62.300 -0.004 0.000 0.928 65 V CB 1.383 33.223 31.823 0.027 0.000 1.169 65 V HN -0.209 nan 8.190 nan 0.000 0.475 66 P HA -0.159 nan 4.420 nan 0.000 0.224 66 P C 0.766 178.020 177.300 -0.077 0.000 1.142 66 P CA 1.387 64.431 63.100 -0.093 0.000 0.778 66 P CB 0.438 32.081 31.700 -0.094 0.000 0.764 67 E N -0.271 119.900 120.200 -0.048 0.000 2.479 67 E HA 0.197 4.547 4.350 -0.001 0.000 0.193 67 E C 1.028 177.612 176.600 -0.028 0.000 1.049 67 E CA 0.056 56.435 56.400 -0.036 0.000 0.870 67 E CB -0.143 29.546 29.700 -0.019 0.000 0.944 67 E HN 0.175 nan 8.360 nan 0.000 0.492 68 A N 2.185 124.986 122.820 -0.031 0.000 3.016 68 A HA 0.302 4.621 4.320 -0.001 0.000 0.303 68 A C -0.148 177.401 177.584 -0.059 0.000 1.507 68 A CA -0.560 51.464 52.037 -0.022 0.000 1.196 68 A CB -0.186 18.817 19.000 0.003 0.000 1.169 68 A HN 0.002 nan 8.150 nan 0.000 0.544 69 R N -0.080 120.384 120.500 -0.059 0.000 2.875 69 R HA 0.819 5.159 4.340 -0.001 0.000 0.251 69 R C -1.249 175.019 176.300 -0.052 0.000 1.123 69 R CA -0.833 55.218 56.100 -0.083 0.000 1.064 69 R CB 1.673 31.921 30.300 -0.086 0.000 1.205 69 R HN 0.183 nan 8.270 nan 0.000 0.503 70 V N 0.591 120.472 119.914 -0.055 0.000 2.711 70 V HA 0.059 4.178 4.120 -0.001 0.000 0.304 70 V C -0.843 175.252 176.094 0.001 0.000 1.097 70 V CA -0.896 61.398 62.300 -0.009 0.000 0.906 70 V CB 2.102 33.942 31.823 0.028 0.000 1.015 70 V HN 0.707 nan 8.190 nan 0.000 0.427 71 D N 4.431 124.845 120.400 0.025 0.000 2.348 71 D HA 0.042 4.682 4.640 -0.001 0.000 0.259 71 D C 1.056 177.376 176.300 0.033 0.000 1.296 71 D CA -0.082 53.949 54.000 0.051 0.000 0.931 71 D CB 1.137 41.990 40.800 0.088 0.000 1.067 71 D HN 0.464 nan 8.370 nan 0.000 0.503 72 L N 4.299 125.536 121.223 0.023 0.000 2.079 72 L HA -0.205 4.135 4.340 -0.001 0.000 0.210 72 L C 1.994 178.805 176.870 -0.100 0.000 1.081 72 L CA 1.770 56.595 54.840 -0.025 0.000 0.752 72 L CB -0.850 41.225 42.059 0.025 0.000 0.896 72 L HN 0.443 nan 8.230 nan 0.000 0.433 73 A N -0.889 121.881 122.820 -0.082 0.000 1.902 73 A HA -0.223 4.097 4.320 -0.001 0.000 0.217 73 A C 2.073 179.580 177.584 -0.128 0.000 1.181 73 A CA 1.230 53.167 52.037 -0.166 0.000 0.623 73 A CB -0.413 18.387 19.000 -0.333 0.000 0.818 73 A HN 0.514 nan 8.150 nan 0.000 0.443 74 Q N -0.934 118.839 119.800 -0.046 0.000 2.084 74 Q HA -0.156 4.183 4.340 -0.001 0.000 0.202 74 Q C 2.134 178.132 176.000 -0.004 0.000 0.978 74 Q CA 1.466 57.270 55.803 0.002 0.000 0.844 74 Q CB -0.616 28.162 28.738 0.066 0.000 0.898 74 Q HN 0.585 nan 8.270 nan 0.000 0.426 75 L N 0.299 121.516 121.223 -0.010 0.000 2.042 75 L HA -0.141 4.199 4.340 -0.001 0.000 0.210 75 L C 2.210 179.078 176.870 -0.002 0.000 1.076 75 L CA 1.391 56.235 54.840 0.007 0.000 0.749 75 L CB -0.724 41.339 42.059 0.007 0.000 0.893 75 L HN -0.058 nan 8.230 nan 0.000 0.432 76 V N -0.136 119.723 119.914 -0.092 0.000 2.237 76 V HA -0.320 3.799 4.120 -0.001 0.000 0.245 76 V C 2.611 178.709 176.094 0.006 0.000 1.046 76 V CA 2.196 64.459 62.300 -0.063 0.000 1.007 76 V CB -0.623 31.102 31.823 -0.163 0.000 0.638 76 V HN 0.461 nan 8.190 nan 0.000 0.445 77 K N -0.400 119.986 120.400 -0.023 0.000 2.074 77 K HA -0.207 4.113 4.320 -0.001 0.000 0.209 77 K C 2.201 178.812 176.600 0.019 0.000 1.048 77 K CA 2.058 58.342 56.287 -0.006 0.000 0.926 77 K CB -0.562 31.925 32.500 -0.021 0.000 0.713 77 K HN 0.492 nan 8.250 nan 0.000 0.444 78 T N 1.003 115.572 114.554 0.025 0.000 2.580 78 T HA -0.165 4.185 4.350 -0.001 0.000 0.265 78 T C 1.826 176.554 174.700 0.046 0.000 1.063 78 T CA 1.370 63.492 62.100 0.037 0.000 1.170 78 T CB -0.179 68.715 68.868 0.043 0.000 0.863 78 T HN 0.270 nan 8.240 nan 0.000 0.418 79 R N 0.788 121.328 120.500 0.068 0.000 2.120 79 R HA -0.035 4.305 4.340 -0.001 0.000 0.234 79 R C 2.514 178.848 176.300 0.056 0.000 1.123 79 R CA 0.797 56.941 56.100 0.074 0.000 0.975 79 R CB -0.282 30.096 30.300 0.129 0.000 0.866 79 R HN 0.443 nan 8.270 nan 0.000 0.446 80 E N 1.312 121.547 120.200 0.058 0.000 2.005 80 E HA -0.175 4.175 4.350 -0.001 0.000 0.198 80 E C 1.806 178.425 176.600 0.032 0.000 1.010 80 E CA 1.693 58.120 56.400 0.044 0.000 0.825 80 E CB -0.132 29.590 29.700 0.037 0.000 0.769 80 E HN 0.274 nan 8.360 nan 0.000 0.456 81 A N 0.649 123.486 122.820 0.029 0.000 2.178 81 A HA -0.162 4.158 4.320 -0.001 0.000 0.218 81 A C 1.948 179.547 177.584 0.024 0.000 1.157 81 A CA 1.320 53.372 52.037 0.026 0.000 0.689 81 A CB -0.373 18.642 19.000 0.025 0.000 0.787 81 A HN 0.337 nan 8.150 nan 0.000 0.465 82 Q N -1.283 118.531 119.800 0.025 0.000 2.360 82 Q HA 0.296 4.635 4.340 -0.001 0.000 0.202 82 Q C 0.835 176.843 176.000 0.013 0.000 0.915 82 Q CA 0.536 56.351 55.803 0.020 0.000 0.943 82 Q CB 0.024 28.776 28.738 0.024 0.000 1.064 82 Q HN 0.809 nan 8.270 nan 0.000 0.511 83 G N 0.634 109.440 108.800 0.012 0.000 2.135 83 G HA2 -0.182 3.777 3.960 -0.001 0.000 0.183 83 G HA3 -0.182 3.777 3.960 -0.001 0.000 0.183 83 G C -0.238 174.652 174.900 -0.017 0.000 1.004 83 G CA -0.355 44.746 45.100 0.001 0.000 0.677 83 G HN 0.246 nan 8.290 nan 0.000 0.512 84 Q N 0.235 120.028 119.800 -0.012 0.000 2.340 84 Q HA 0.317 4.657 4.340 -0.001 0.000 0.249 84 Q C 0.871 176.837 176.000 -0.057 0.000 0.957 84 Q CA -0.266 55.514 55.803 -0.039 0.000 0.882 84 Q CB 0.588 29.323 28.738 -0.005 0.000 1.235 84 Q HN 0.314 nan 8.270 nan 0.000 0.439 85 R N 2.319 122.736 120.500 -0.138 0.000 2.643 85 R HA 0.055 4.394 4.340 -0.001 0.000 0.270 85 R C 1.361 177.623 176.300 -0.062 0.000 1.061 85 R CA -0.251 55.733 56.100 -0.192 0.000 1.107 85 R CB 0.192 30.157 30.300 -0.558 0.000 0.999 85 R HN 0.515 nan 8.270 nan 0.000 0.460 86 L N 3.644 124.910 121.223 0.070 0.000 1.924 86 L HA -0.116 4.223 4.340 -0.001 0.000 0.237 86 L C -0.966 175.946 176.870 0.070 0.000 1.090 86 L CA 1.629 56.540 54.840 0.117 0.000 0.829 86 L CB -2.279 39.894 42.059 0.190 0.000 0.903 86 L HN 0.486 nan 8.230 nan 0.000 0.430 87 P HA 0.150 nan 4.420 nan 0.000 0.264 87 P C -0.975 176.267 177.300 -0.096 0.000 1.229 87 P CA 0.333 63.366 63.100 -0.112 0.000 0.780 87 P CB 0.487 31.934 31.700 -0.422 0.000 0.808 88 A N 4.508 127.294 122.820 -0.057 0.000 2.380 88 A HA 0.618 4.938 4.320 -0.001 0.000 0.315 88 A C -1.157 176.364 177.584 -0.106 0.000 1.101 88 A CA -0.792 51.170 52.037 -0.126 0.000 0.771 88 A CB 1.240 20.131 19.000 -0.181 0.000 1.287 88 A HN 0.482 nan 8.150 nan 0.000 0.436 89 L N 2.147 123.234 121.223 -0.227 0.000 2.301 89 L HA 0.600 4.940 4.340 -0.001 0.000 0.278 89 L C -1.596 175.101 176.870 -0.287 0.000 1.022 89 L CA -0.369 54.368 54.840 -0.172 0.000 0.854 89 L CB -0.171 41.794 42.059 -0.157 0.000 1.226 89 L HN 0.506 nan 8.230 nan 0.000 0.429 90 F N 3.723 123.556 119.950 -0.195 0.000 2.421 90 F HA 0.387 4.914 4.527 -0.001 0.000 0.358 90 F C 0.450 176.014 175.800 -0.394 0.000 1.115 90 F CA -0.182 57.643 58.000 -0.292 0.000 1.160 90 F CB 0.524 39.382 39.000 -0.236 0.000 1.123 90 F HN 0.345 nan 8.300 nan 0.000 0.508 91 C N 4.311 123.373 119.300 -0.397 0.000 2.417 91 C HA 0.549 5.009 4.460 -0.001 0.000 0.324 91 C C -0.449 174.196 174.990 -0.576 0.000 1.240 91 C CA -1.202 57.589 59.018 -0.378 0.000 1.632 91 C CB 0.214 27.806 27.740 -0.246 0.000 2.241 91 C HN 0.603 nan 8.230 nan 0.000 0.499 92 F N 3.356 123.267 119.950 -0.065 0.000 2.310 92 F HA 0.326 4.853 4.527 -0.000 0.000 0.365 92 F C -1.188 174.517 175.800 -0.159 0.000 1.080 92 F CA -2.366 55.524 58.000 -0.183 0.000 1.187 92 F CB 0.536 39.444 39.000 -0.152 0.000 1.465 92 F HN 0.456 nan 8.300 nan 0.000 0.496 93 P HA -0.219 nan 4.420 nan 0.000 0.222 93 P C 1.045 178.302 177.300 -0.071 0.000 1.142 93 P CA 1.359 64.389 63.100 -0.117 0.000 0.788 93 P CB 0.320 31.934 31.700 -0.145 0.000 0.767 94 Q N -0.599 119.149 119.800 -0.087 0.000 2.224 94 Q HA -0.059 4.281 4.340 -0.001 0.000 0.203 94 Q C 2.297 178.331 176.000 0.058 0.000 0.970 94 Q CA 0.936 56.755 55.803 0.027 0.000 0.865 94 Q CB -0.444 28.316 28.738 0.036 0.000 0.922 94 Q HN 0.317 nan 8.270 nan 0.000 0.445 95 I N 0.231 120.801 120.570 -0.000 0.000 2.315 95 I HA -0.274 3.896 4.170 -0.001 0.000 0.248 95 I C 1.989 178.074 176.117 -0.054 0.000 1.117 95 I CA 0.912 62.139 61.300 -0.122 0.000 1.404 95 I CB -0.227 37.569 38.000 -0.340 0.000 1.071 95 I HN 0.239 nan 8.210 nan 0.000 0.419 96 L N 0.202 121.393 121.223 -0.054 0.000 2.012 96 L HA -0.274 4.066 4.340 -0.001 0.000 0.210 96 L C 2.684 179.539 176.870 -0.024 0.000 1.073 96 L CA 1.699 56.476 54.840 -0.105 0.000 0.748 96 L CB -0.626 41.282 42.059 -0.251 0.000 0.891 96 L HN 0.327 nan 8.230 nan 0.000 0.431 97 Q N -1.365 118.446 119.800 0.020 0.000 2.046 97 Q HA -0.232 4.108 4.340 -0.001 0.000 0.200 97 Q C 2.289 178.352 176.000 0.106 0.000 0.975 97 Q CA 1.419 57.257 55.803 0.058 0.000 0.836 97 Q CB -0.300 28.488 28.738 0.083 0.000 0.896 97 Q HN 0.482 nan 8.270 nan 0.000 0.428 98 H N 0.884 120.003 119.070 0.081 0.000 2.352 98 H HA -0.080 4.476 4.556 -0.001 0.000 0.299 98 H C 2.090 177.510 175.328 0.154 0.000 1.097 98 H CA 1.379 57.505 56.048 0.130 0.000 1.311 98 H CB 0.242 30.126 29.762 0.203 0.000 1.377 98 H HN 0.041 nan 8.280 nan 0.000 0.504 99 R N 0.801 121.493 120.500 0.319 0.000 2.091 99 R HA -0.109 4.230 4.340 -0.001 0.000 0.238 99 R C 2.773 179.167 176.300 0.157 0.000 1.136 99 R CA 0.917 57.179 56.100 0.271 0.000 0.959 99 R CB -0.919 29.490 30.300 0.182 0.000 0.856 99 R HN 0.411 nan 8.270 nan 0.000 0.437 100 L N 0.607 121.891 121.223 0.101 0.000 2.017 100 L HA -0.203 4.136 4.340 -0.001 0.000 0.208 100 L C 2.510 179.436 176.870 0.094 0.000 1.073 100 L CA 1.536 56.430 54.840 0.090 0.000 0.745 100 L CB -0.228 41.858 42.059 0.044 0.000 0.894 100 L HN 0.193 nan 8.230 nan 0.000 0.432 101 R N -0.920 119.601 120.500 0.034 0.000 2.127 101 R HA -0.140 4.199 4.340 -0.001 0.000 0.238 101 R C 2.313 178.615 176.300 0.002 0.000 1.134 101 R CA 1.507 57.608 56.100 0.002 0.000 0.975 101 R CB -0.234 30.019 30.300 -0.078 0.000 0.865 101 R HN 0.375 nan 8.270 nan 0.000 0.447 102 S N 1.149 116.836 115.700 -0.022 0.000 2.371 102 S HA -0.092 4.378 4.470 -0.001 0.000 0.224 102 S C 2.018 176.697 174.600 0.133 0.000 1.029 102 S CA 1.341 59.558 58.200 0.028 0.000 0.978 102 S CB -0.149 63.096 63.200 0.075 0.000 0.833 102 S HN 0.447 nan 8.310 nan 0.000 0.466 103 I N 0.295 120.985 120.570 0.200 0.000 2.353 103 I HA -0.061 4.109 4.170 -0.001 0.000 0.248 103 I C 1.928 178.299 176.117 0.424 0.000 1.119 103 I CA 1.341 62.821 61.300 0.301 0.000 1.417 103 I CB -0.401 37.811 38.000 0.354 0.000 1.078 103 I HN 0.095 nan 8.210 nan 0.000 0.421 104 N N 1.876 120.814 118.700 0.396 0.000 2.166 104 N HA -0.119 4.621 4.740 -0.001 0.000 0.186 104 N C 2.025 177.753 175.510 0.364 0.000 1.019 104 N CA 1.767 55.118 53.050 0.501 0.000 0.856 104 N CB -0.142 38.533 38.487 0.314 0.000 0.993 104 N HN 0.587 nan 8.380 nan 0.000 0.426 105 A N 1.043 123.996 122.820 0.222 0.000 1.930 105 A HA 0.040 4.359 4.320 -0.001 0.000 0.217 105 A C 2.371 180.036 177.584 0.134 0.000 1.175 105 A CA 1.692 53.820 52.037 0.151 0.000 0.627 105 A CB -0.606 18.444 19.000 0.084 0.000 0.815 105 A HN 0.323 nan 8.150 nan 0.000 0.443 106 A N -1.354 121.540 122.820 0.123 0.000 1.902 106 A HA -0.003 4.317 4.320 -0.001 0.000 0.217 106 A C 1.897 179.440 177.584 -0.068 0.000 1.181 106 A CA 1.425 53.474 52.037 0.021 0.000 0.623 106 A CB -0.681 18.317 19.000 -0.005 0.000 0.818 106 A HN 0.462 nan 8.150 nan 0.000 0.443 107 F N -0.288 119.644 119.950 -0.031 0.000 2.456 107 F HA 0.035 4.562 4.527 -0.000 0.000 0.298 107 F C 2.197 177.991 175.800 -0.010 0.000 1.104 107 F CA 1.550 59.450 58.000 -0.167 0.000 1.435 107 F CB 0.095 38.688 39.000 -0.679 0.000 1.078 107 F HN 0.194 nan 8.300 nan 0.000 0.546 108 K N 0.483 121.025 120.400 0.237 0.000 2.098 108 K HA -0.103 4.216 4.320 -0.001 0.000 0.203 108 K C 2.332 179.023 176.600 0.152 0.000 1.051 108 K CA 0.633 57.047 56.287 0.212 0.000 0.957 108 K CB -0.089 32.530 32.500 0.198 0.000 0.738 108 K HN 0.017 nan 8.250 nan 0.000 0.447 109 R N -0.048 120.520 120.500 0.113 0.000 2.249 109 R HA -0.105 4.235 4.340 -0.001 0.000 0.230 109 R C 1.472 177.842 176.300 0.116 0.000 1.121 109 R CA 1.318 57.475 56.100 0.094 0.000 0.997 109 R CB -0.017 30.319 30.300 0.061 0.000 0.867 109 R HN 0.270 nan 8.270 nan 0.000 0.465 110 A N -0.097 122.791 122.820 0.114 0.000 2.035 110 A HA 0.125 4.445 4.320 -0.001 0.000 0.208 110 A C 1.903 179.614 177.584 0.210 0.000 1.206 110 A CA -0.110 52.038 52.037 0.186 0.000 0.773 110 A CB 0.023 19.071 19.000 0.079 0.000 0.878 110 A HN 0.212 nan 8.150 nan 0.000 0.469 111 R N 0.204 120.815 120.500 0.185 0.000 2.081 111 R HA -0.124 4.216 4.340 -0.001 0.000 0.235 111 R C 1.949 178.390 176.300 0.235 0.000 1.131 111 R CA 1.771 58.014 56.100 0.239 0.000 0.960 111 R CB -0.211 30.260 30.300 0.285 0.000 0.856 111 R HN 0.641 nan 8.270 nan 0.000 0.436 112 E N -0.108 120.204 120.200 0.185 0.000 2.046 112 E HA -0.121 4.229 4.350 -0.001 0.000 0.190 112 E C 1.964 178.642 176.600 0.130 0.000 0.982 112 E CA 1.028 57.513 56.400 0.141 0.000 0.800 112 E CB -0.092 29.680 29.700 0.119 0.000 0.756 112 E HN 0.101 nan 8.360 nan 0.000 0.449 113 S N -0.403 115.400 115.700 0.171 0.000 2.420 113 S HA -0.218 4.251 4.470 -0.001 0.000 0.237 113 S C 1.725 176.447 174.600 0.204 0.000 1.023 113 S CA 1.271 59.600 58.200 0.214 0.000 0.991 113 S CB -0.141 63.239 63.200 0.301 0.000 0.792 113 S HN 0.396 nan 8.310 nan 0.000 0.488 114 Y N 0.357 120.604 120.300 -0.087 0.000 2.353 114 Y HA 0.381 4.931 4.550 -0.001 0.000 0.294 114 Y C 1.457 177.232 175.900 -0.209 0.000 1.135 114 Y CA 1.073 58.898 58.100 -0.457 0.000 1.176 114 Y CB 0.123 37.986 38.460 -0.995 0.000 1.124 114 Y HN 0.273 nan 8.280 nan 0.000 0.537 115 G N -0.901 107.860 108.800 -0.066 0.000 2.157 115 G HA2 -0.255 3.705 3.960 -0.001 0.000 0.118 115 G HA3 -0.255 3.705 3.960 -0.001 0.000 0.118 115 G C -0.660 174.322 174.900 0.136 0.000 1.032 115 G CA -0.236 44.819 45.100 -0.075 0.000 0.697 115 G HN 0.361 nan 8.290 nan 0.000 0.495 116 Y N 1.867 122.297 120.300 0.217 0.000 2.496 116 Y HA 0.362 4.912 4.550 -0.001 0.000 0.334 116 Y C 1.182 177.275 175.900 0.322 0.000 1.080 116 Y CA 0.225 58.523 58.100 0.329 0.000 1.355 116 Y CB 0.559 39.123 38.460 0.174 0.000 1.193 116 Y HN 0.156 nan 8.280 nan 0.000 0.523 117 N N 3.903 122.671 118.700 0.114 0.000 2.314 117 N HA 0.094 4.834 4.740 -0.001 0.000 0.200 117 N C 0.244 175.737 175.510 -0.030 0.000 1.135 117 N CA 0.279 53.303 53.050 -0.044 0.000 0.835 117 N CB 0.645 38.983 38.487 -0.249 0.000 0.989 117 N HN 0.742 nan 8.380 nan 0.000 0.478 118 G N -0.001 108.794 108.800 -0.010 0.000 2.461 118 G HA2 0.404 4.364 3.960 -0.001 0.000 0.329 118 G HA3 0.404 4.364 3.960 -0.001 0.000 0.329 118 G C -0.767 174.358 174.900 0.376 0.000 1.170 118 G CA -0.443 44.788 45.100 0.217 0.000 0.935 118 G HN 0.001 nan 8.290 nan 0.000 0.492 119 D N -1.359 119.224 120.400 0.306 0.000 2.348 119 D HA 0.486 5.125 4.640 -0.001 0.000 0.249 119 D C -1.005 175.520 176.300 0.374 0.000 1.110 119 D CA 0.114 54.285 54.000 0.284 0.000 0.967 119 D CB 1.401 42.307 40.800 0.175 0.000 1.139 119 D HN 0.383 nan 8.370 nan 0.000 0.466 120 Y N 1.278 121.714 120.300 0.225 0.000 2.396 120 Y HA 0.505 5.055 4.550 -0.000 0.000 0.332 120 Y C -2.152 173.895 175.900 0.245 0.000 1.034 120 Y CA -1.437 56.759 58.100 0.160 0.000 1.057 120 Y CB 0.903 39.370 38.460 0.012 0.000 1.220 120 Y HN 0.403 nan 8.280 nan 0.000 0.440 121 F N 5.614 124.877 119.950 -1.145 0.000 2.619 121 F HA 0.666 5.193 4.527 -0.001 0.000 0.308 121 F C -2.327 172.981 175.800 -0.820 0.000 1.097 121 F CA -1.674 55.719 58.000 -1.011 0.000 0.953 121 F CB 0.743 39.498 39.000 -0.408 0.000 1.287 121 F HN 0.531 nan 8.300 nan 0.000 0.446 122 L N 2.871 123.728 121.223 -0.610 0.000 2.371 122 L HA 0.719 5.058 4.340 -0.001 0.000 0.272 122 L C -0.887 175.811 176.870 -0.286 0.000 1.124 122 L CA -0.270 54.367 54.840 -0.339 0.000 0.816 122 L CB 1.366 43.390 42.059 -0.057 0.000 1.129 122 L HN 0.617 nan 8.230 nan 0.000 0.448 123 V N 5.672 125.431 119.914 -0.258 0.000 2.289 123 V HA 0.142 4.262 4.120 -0.001 0.000 0.272 123 V C -0.720 175.337 176.094 -0.061 0.000 1.026 123 V CA -0.615 61.578 62.300 -0.179 0.000 0.807 123 V CB 0.374 32.014 31.823 -0.304 0.000 1.044 123 V HN 0.657 nan 8.190 nan 0.000 0.443 124 Y N 8.339 128.582 120.300 -0.095 0.000 2.677 124 Y HA 0.189 4.739 4.550 -0.001 0.000 0.335 124 Y C -1.813 174.043 175.900 -0.073 0.000 1.162 124 Y CA -1.562 56.494 58.100 -0.074 0.000 1.483 124 Y CB 0.919 39.338 38.460 -0.069 0.000 1.209 124 Y HN 0.409 nan 8.280 nan 0.000 0.528 125 P HA -0.013 nan 4.420 nan 0.000 0.280 125 P C 0.635 177.479 177.300 -0.760 0.000 1.300 125 P CA -0.081 62.715 63.100 -0.506 0.000 0.785 125 P CB 0.855 32.356 31.700 -0.332 0.000 0.874 126 I N 4.708 125.012 120.570 -0.444 0.000 2.229 126 I HA -0.320 3.849 4.170 -0.001 0.000 0.250 126 I C 2.374 178.370 176.117 -0.201 0.000 1.096 126 I CA 1.915 63.069 61.300 -0.243 0.000 1.358 126 I CB -1.623 36.356 38.000 -0.036 0.000 1.047 126 I HN 0.450 nan 8.210 nan 0.000 0.422 127 K N 2.050 122.347 120.400 -0.171 0.000 2.097 127 K HA -0.231 4.089 4.320 -0.001 0.000 0.214 127 K C 1.803 178.362 176.600 -0.068 0.000 1.052 127 K CA 2.577 58.828 56.287 -0.060 0.000 0.932 127 K CB -1.272 31.224 32.500 -0.006 0.000 0.716 127 K HN 0.382 nan 8.250 nan 0.000 0.455 128 V N -2.048 117.707 119.914 -0.265 0.000 3.305 128 V HA 0.041 4.161 4.120 -0.001 0.000 0.269 128 V C 0.216 176.188 176.094 -0.204 0.000 1.157 128 V CA 0.763 62.763 62.300 -0.501 0.000 1.157 128 V CB -0.954 30.483 31.823 -0.644 0.000 0.772 128 V HN 0.591 nan 8.190 nan 0.000 0.498 129 N N -0.169 118.527 118.700 -0.006 0.000 5.698 129 N HA 0.069 4.809 4.740 -0.001 0.000 0.140 129 N C -0.295 175.331 175.510 0.193 0.000 1.032 129 N CA -0.112 53.017 53.050 0.131 0.000 1.114 129 N CB 1.242 39.837 38.487 0.181 0.000 1.506 129 N HN 0.214 nan 8.380 nan 0.000 1.091 130 Q N 0.287 120.182 119.800 0.157 0.000 2.392 130 Q HA 0.182 4.522 4.340 -0.001 0.000 0.203 130 Q C 0.251 176.356 176.000 0.174 0.000 0.917 130 Q CA 0.079 55.974 55.803 0.152 0.000 0.939 130 Q CB -0.069 28.735 28.738 0.110 0.000 1.063 130 Q HN 0.504 nan 8.270 nan 0.000 0.516 131 H N 1.560 120.684 119.070 0.090 0.000 3.094 131 H HA -0.047 4.509 4.556 -0.001 0.000 0.320 131 H C 1.336 176.692 175.328 0.047 0.000 1.000 131 H CA 0.750 56.846 56.048 0.080 0.000 1.413 131 H CB 0.508 30.315 29.762 0.074 0.000 1.405 131 H HN 0.219 nan 8.280 nan 0.000 0.586 132 R N 4.389 125.051 120.500 0.269 0.000 2.134 132 R HA -0.273 4.066 4.340 -0.001 0.000 0.248 132 R C 2.331 178.763 176.300 0.220 0.000 1.143 132 R CA 2.235 58.507 56.100 0.286 0.000 0.957 132 R CB -0.202 30.258 30.300 0.267 0.000 0.867 132 R HN 0.768 nan 8.270 nan 0.000 0.441 133 R N 0.105 120.836 120.500 0.386 0.000 2.112 133 R HA -0.170 4.169 4.340 -0.001 0.000 0.242 133 R C 2.052 178.316 176.300 -0.059 0.000 1.137 133 R CA 2.437 58.589 56.100 0.087 0.000 0.944 133 R CB -0.457 29.787 30.300 -0.094 0.000 0.857 133 R HN 0.218 nan 8.270 nan 0.000 0.435 134 V N 1.441 121.288 119.914 -0.111 0.000 2.244 134 V HA -0.253 3.867 4.120 -0.001 0.000 0.244 134 V C 2.530 178.420 176.094 -0.341 0.000 1.042 134 V CA 1.819 63.947 62.300 -0.287 0.000 1.006 134 V CB -0.535 31.123 31.823 -0.275 0.000 0.641 134 V HN 0.318 nan 8.190 nan 0.000 0.446 135 I N 0.174 120.559 120.570 -0.308 0.000 2.145 135 I HA -0.286 3.884 4.170 -0.001 0.000 0.244 135 I C 2.537 178.428 176.117 -0.377 0.000 1.075 135 I CA 1.920 62.975 61.300 -0.408 0.000 1.332 135 I CB -1.334 36.197 38.000 -0.781 0.000 1.033 135 I HN 0.491 nan 8.210 nan 0.000 0.410 136 E N 0.773 120.791 120.200 -0.304 0.000 2.015 136 E HA -0.152 4.198 4.350 -0.001 0.000 0.191 136 E C 2.356 178.847 176.600 -0.181 0.000 0.991 136 E CA 1.596 57.849 56.400 -0.245 0.000 0.802 136 E CB -0.035 29.636 29.700 -0.050 0.000 0.759 136 E HN 0.348 nan 8.360 nan 0.000 0.447 137 S N 1.010 116.657 115.700 -0.089 0.000 2.392 137 S HA -0.189 4.281 4.470 -0.001 0.000 0.232 137 S C 1.991 176.553 174.600 -0.064 0.000 1.041 137 S CA 0.971 59.152 58.200 -0.030 0.000 1.026 137 S CB -0.231 62.926 63.200 -0.072 0.000 0.845 137 S HN 0.185 nan 8.310 nan 0.000 0.465 138 L N 0.575 121.699 121.223 -0.166 0.000 2.023 138 L HA -0.062 4.277 4.340 -0.001 0.000 0.205 138 L C 2.313 179.128 176.870 -0.092 0.000 1.073 138 L CA 0.806 55.554 54.840 -0.152 0.000 0.745 138 L CB -0.580 41.322 42.059 -0.262 0.000 0.900 138 L HN 0.269 nan 8.230 nan 0.000 0.435 139 I N -0.125 120.358 120.570 -0.146 0.000 2.118 139 I HA -0.304 3.866 4.170 -0.001 0.000 0.241 139 I C 1.907 178.010 176.117 -0.023 0.000 1.070 139 I CA 1.654 62.879 61.300 -0.126 0.000 1.327 139 I CB -1.281 36.566 38.000 -0.256 0.000 1.034 139 I HN 0.337 nan 8.210 nan 0.000 0.405 140 H N 0.574 119.651 119.070 0.012 0.000 3.068 140 H HA 0.192 4.748 4.556 -0.001 0.000 0.297 140 H C 0.794 176.142 175.328 0.033 0.000 1.135 140 H CA -0.024 56.042 56.048 0.030 0.000 1.207 140 H CB -0.367 29.422 29.762 0.045 0.000 1.307 140 H HN 0.134 nan 8.280 nan 0.000 0.624 141 S N -1.546 114.228 115.700 0.124 0.000 2.759 141 S HA 0.528 4.998 4.470 -0.001 0.000 0.310 141 S C 1.636 176.280 174.600 0.073 0.000 1.123 141 S CA -0.156 58.097 58.200 0.088 0.000 0.959 141 S CB 1.492 64.725 63.200 0.054 0.000 1.172 141 S HN 0.351 nan 8.310 nan 0.000 0.539 142 G N 0.277 109.114 108.800 0.061 0.000 2.603 142 G HA2 0.149 4.109 3.960 -0.001 0.000 0.214 142 G HA3 0.149 4.109 3.960 -0.001 0.000 0.214 142 G C 0.075 175.001 174.900 0.043 0.000 1.140 142 G CA 0.063 45.193 45.100 0.050 0.000 0.800 142 G HN 0.598 nan 8.290 nan 0.000 0.533 143 E N 1.467 121.693 120.200 0.044 0.000 2.366 143 E HA 0.243 4.592 4.350 -0.001 0.000 0.266 143 E C -2.237 174.383 176.600 0.033 0.000 1.051 143 E CA -1.991 54.435 56.400 0.043 0.000 0.884 143 E CB 1.023 30.755 29.700 0.052 0.000 1.006 143 E HN 0.150 nan 8.360 nan 0.000 0.417 144 P HA 0.208 nan 4.420 nan 0.000 0.281 144 P C -0.693 176.662 177.300 0.091 0.000 1.252 144 P CA -0.429 62.672 63.100 0.003 0.000 0.778 144 P CB 0.617 32.271 31.700 -0.076 0.000 0.895 145 L N 0.957 122.254 121.223 0.125 0.000 2.540 145 L HA 0.917 5.256 4.340 -0.001 0.000 0.256 145 L C -0.631 176.375 176.870 0.227 0.000 1.001 145 L CA -0.945 54.020 54.840 0.208 0.000 0.843 145 L CB 1.101 43.209 42.059 0.081 0.000 1.436 145 L HN 0.522 nan 8.230 nan 0.000 0.410 146 G N 0.727 109.654 108.800 0.213 0.000 2.735 146 G HA2 0.773 4.733 3.960 -0.001 0.000 0.301 146 G HA3 0.773 4.733 3.960 -0.001 0.000 0.301 146 G C -1.563 173.376 174.900 0.066 0.000 1.279 146 G CA -0.880 44.316 45.100 0.160 0.000 1.019 146 G HN 0.642 nan 8.290 nan 0.000 0.497 147 L N -0.039 121.207 121.223 0.038 0.000 2.410 147 L HA 0.507 4.847 4.340 -0.001 0.000 0.270 147 L C -0.373 176.482 176.870 -0.024 0.000 0.983 147 L CA -0.631 54.223 54.840 0.024 0.000 0.822 147 L CB 2.536 44.617 42.059 0.035 0.000 1.285 147 L HN 0.608 nan 8.230 nan 0.000 0.409 148 E N 2.319 122.476 120.200 -0.072 0.000 2.171 148 E HA 0.725 5.075 4.350 -0.001 0.000 0.271 148 E C -1.285 175.270 176.600 -0.075 0.000 0.916 148 E CA -0.725 55.615 56.400 -0.099 0.000 0.774 148 E CB 1.959 31.559 29.700 -0.168 0.000 1.128 148 E HN 0.663 nan 8.360 nan 0.000 0.403 149 A N 2.938 125.744 122.820 -0.024 0.000 2.303 149 A HA 0.558 4.878 4.320 -0.001 0.000 0.320 149 A C 0.492 178.094 177.584 0.030 0.000 1.192 149 A CA -0.247 51.800 52.037 0.016 0.000 0.821 149 A CB 1.317 20.366 19.000 0.082 0.000 1.188 149 A HN 0.741 nan 8.150 nan 0.000 0.492 150 G N 0.907 109.702 108.800 -0.008 0.000 3.141 150 G HA2 0.416 4.376 3.960 -0.001 0.000 0.218 150 G HA3 0.416 4.376 3.960 -0.001 0.000 0.218 150 G C 0.381 175.273 174.900 -0.014 0.000 1.170 150 G CA 0.771 45.866 45.100 -0.007 0.000 0.769 150 G HN 1.582 nan 8.290 nan 0.000 0.546 151 S N -2.038 113.599 115.700 -0.105 0.000 2.636 151 S HA 0.340 4.810 4.470 -0.001 0.000 0.266 151 S C 0.528 174.715 174.600 -0.688 0.000 1.147 151 S CA -0.479 57.516 58.200 -0.342 0.000 0.815 151 S CB 1.516 64.616 63.200 -0.167 0.000 1.119 151 S HN -0.030 nan 8.310 nan 0.000 0.470 152 K N 0.327 120.174 120.400 -0.922 0.000 2.057 152 K HA -0.041 4.278 4.320 -0.001 0.000 0.207 152 K C 2.188 178.632 176.600 -0.259 0.000 1.049 152 K CA 1.604 57.459 56.287 -0.720 0.000 0.931 152 K CB -0.866 31.378 32.500 -0.427 0.000 0.714 152 K HN 0.709 nan 8.250 nan 0.000 0.440 153 A N 1.691 124.402 122.820 -0.183 0.000 1.883 153 A HA -0.225 4.095 4.320 -0.001 0.000 0.217 153 A C 1.865 179.420 177.584 -0.049 0.000 1.186 153 A CA 1.892 53.880 52.037 -0.082 0.000 0.624 153 A CB -0.535 18.431 19.000 -0.056 0.000 0.822 153 A HN 0.498 nan 8.150 nan 0.000 0.444 154 E N -0.732 119.434 120.200 -0.057 0.000 2.077 154 E HA -0.185 4.165 4.350 -0.001 0.000 0.193 154 E C 1.965 178.577 176.600 0.019 0.000 0.989 154 E CA 1.155 57.550 56.400 -0.009 0.000 0.800 154 E CB -0.353 29.339 29.700 -0.013 0.000 0.746 154 E HN 0.504 nan 8.360 nan 0.000 0.452 155 L N 0.862 122.096 121.223 0.019 0.000 2.043 155 L HA -0.210 4.129 4.340 -0.001 0.000 0.212 155 L C 2.354 179.266 176.870 0.070 0.000 1.075 155 L CA 1.686 56.581 54.840 0.091 0.000 0.752 155 L CB -0.432 41.755 42.059 0.214 0.000 0.891 155 L HN 0.097 nan 8.230 nan 0.000 0.432 156 M N -0.399 119.225 119.600 0.040 0.000 2.065 156 M HA -0.162 4.318 4.480 -0.001 0.000 0.259 156 M C 2.252 178.570 176.300 0.029 0.000 1.069 156 M CA 2.259 57.578 55.300 0.032 0.000 1.110 156 M CB -0.719 31.887 32.600 0.009 0.000 1.328 156 M HN 0.356 nan 8.290 nan 0.000 0.405 157 A N -1.172 121.668 122.820 0.033 0.000 1.940 157 A HA -0.123 4.197 4.320 -0.001 0.000 0.219 157 A C 2.165 179.817 177.584 0.113 0.000 1.176 157 A CA 2.011 54.079 52.037 0.050 0.000 0.631 157 A CB -1.244 17.809 19.000 0.089 0.000 0.814 157 A HN 0.394 nan 8.150 nan 0.000 0.446 158 V N -0.491 119.488 119.914 0.109 0.000 2.270 158 V HA -0.218 3.901 4.120 -0.001 0.000 0.245 158 V C 2.450 178.588 176.094 0.073 0.000 1.043 158 V CA 1.817 64.183 62.300 0.109 0.000 1.014 158 V CB -0.817 31.044 31.823 0.063 0.000 0.645 158 V HN 0.473 nan 8.190 nan 0.000 0.447 159 L N 0.418 121.676 121.223 0.058 0.000 2.079 159 L HA -0.172 4.168 4.340 -0.001 0.000 0.210 159 L C 2.530 179.443 176.870 0.071 0.000 1.081 159 L CA 2.199 57.083 54.840 0.073 0.000 0.752 159 L CB -1.277 40.840 42.059 0.097 0.000 0.896 159 L HN 0.312 nan 8.230 nan 0.000 0.433 160 A N -1.366 121.469 122.820 0.025 0.000 1.835 160 A HA -0.246 4.073 4.320 -0.001 0.000 0.215 160 A C 2.250 179.808 177.584 -0.043 0.000 1.199 160 A CA 1.688 53.700 52.037 -0.042 0.000 0.615 160 A CB -0.924 17.994 19.000 -0.138 0.000 0.838 160 A HN 0.496 nan 8.150 nan 0.000 0.444 161 H N -0.231 118.850 119.070 0.018 0.000 2.387 161 H HA -0.111 4.444 4.556 -0.001 0.000 0.299 161 H C 2.536 177.863 175.328 -0.001 0.000 1.099 161 H CA 1.431 57.480 56.048 0.002 0.000 1.315 161 H CB -0.583 29.172 29.762 -0.012 0.000 1.380 161 H HN 0.532 nan 8.280 nan 0.000 0.513 162 A N 0.579 123.466 122.820 0.112 0.000 1.849 162 A HA 0.018 4.338 4.320 -0.001 0.000 0.217 162 A C 1.868 179.527 177.584 0.125 0.000 1.202 162 A CA 2.202 54.269 52.037 0.050 0.000 0.629 162 A CB -1.042 17.901 19.000 -0.096 0.000 0.834 162 A HN 0.674 nan 8.150 nan 0.000 0.447 163 G N -2.685 106.209 108.800 0.157 0.000 2.499 163 G HA2 -0.188 3.771 3.960 -0.001 0.000 0.232 163 G HA3 -0.188 3.771 3.960 -0.001 0.000 0.232 163 G C 0.323 175.323 174.900 0.167 0.000 1.251 163 G CA 0.321 45.503 45.100 0.138 0.000 0.917 163 G HN 0.617 nan 8.290 nan 0.000 0.580 164 M N 1.663 121.328 119.600 0.108 0.000 2.494 164 M HA 0.276 4.756 4.480 -0.001 0.000 0.232 164 M C 0.949 177.303 176.300 0.089 0.000 1.137 164 M CA 0.783 56.121 55.300 0.063 0.000 1.012 164 M CB 0.337 32.956 32.600 0.032 0.000 1.567 164 M HN 0.358 nan 8.290 nan 0.000 0.486 165 T N 1.409 116.058 114.554 0.158 0.000 2.739 165 T HA 0.201 4.551 4.350 -0.001 0.000 0.298 165 T C 0.350 175.191 174.700 0.234 0.000 0.929 165 T CA -0.578 61.610 62.100 0.147 0.000 1.014 165 T CB 0.402 69.341 68.868 0.119 0.000 0.914 165 T HN 0.233 nan 8.240 nan 0.000 0.509 166 R N 3.377 123.986 120.500 0.181 0.000 2.723 166 R HA 0.060 4.399 4.340 -0.001 0.000 0.358 166 R C -0.192 176.233 176.300 0.209 0.000 0.966 166 R CA 0.315 56.574 56.100 0.264 0.000 1.022 166 R CB -0.212 30.157 30.300 0.114 0.000 0.945 166 R HN 0.467 nan 8.270 nan 0.000 0.420 167 S N 2.249 118.061 115.700 0.187 0.000 2.621 167 S HA 0.415 4.885 4.470 -0.001 0.000 0.302 167 S C -0.709 173.889 174.600 -0.003 0.000 1.093 167 S CA -0.727 57.473 58.200 -0.000 0.000 1.017 167 S CB 1.804 64.944 63.200 -0.100 0.000 1.077 167 S HN 0.346 nan 8.310 nan 0.000 0.517 168 V N 3.796 123.744 119.914 0.057 0.000 2.461 168 V HA 0.449 4.569 4.120 -0.001 0.000 0.275 168 V C -0.261 175.903 176.094 0.116 0.000 1.047 168 V CA -0.077 62.315 62.300 0.153 0.000 0.955 168 V CB 0.407 32.395 31.823 0.276 0.000 0.988 168 V HN 0.637 nan 8.190 nan 0.000 0.471 169 I N 4.957 125.601 120.570 0.124 0.000 2.608 169 I HA 0.611 4.781 4.170 -0.001 0.000 0.295 169 I C -0.777 175.416 176.117 0.126 0.000 1.049 169 I CA -0.912 60.432 61.300 0.073 0.000 1.063 169 I CB 2.330 40.339 38.000 0.014 0.000 1.248 169 I HN 0.416 nan 8.210 nan 0.000 0.424 170 V N 5.706 125.645 119.914 0.042 0.000 2.638 170 V HA 0.496 4.616 4.120 -0.001 0.000 0.306 170 V C -0.969 175.101 176.094 -0.039 0.000 1.052 170 V CA -0.244 62.059 62.300 0.004 0.000 0.885 170 V CB 1.567 33.316 31.823 -0.123 0.000 0.999 170 V HN 0.903 nan 8.190 nan 0.000 0.424 171 C N 6.571 125.842 119.300 -0.048 0.000 2.281 171 C HA 0.685 5.145 4.460 -0.001 0.000 0.325 171 C C 0.319 175.245 174.990 -0.108 0.000 1.282 171 C CA -0.403 58.583 59.018 -0.054 0.000 1.640 171 C CB 0.043 27.684 27.740 -0.166 0.000 2.288 171 C HN 1.010 nan 8.230 nan 0.000 0.507 172 N N 0.233 118.900 118.700 -0.056 0.000 2.890 172 N HA 0.837 5.576 4.740 -0.001 0.000 0.317 172 N C 0.105 175.553 175.510 -0.103 0.000 1.355 172 N CA 0.865 53.823 53.050 -0.153 0.000 0.803 172 N CB 1.306 39.678 38.487 -0.191 0.000 1.465 172 N HN 1.175 nan 8.380 nan 0.000 0.591 173 G N -0.769 107.782 108.800 -0.415 0.000 2.756 173 G HA2 -0.226 3.734 3.960 -0.001 0.000 0.678 173 G HA3 -0.226 3.734 3.960 -0.001 0.000 0.678 173 G C -1.196 173.629 174.900 -0.125 0.000 1.349 173 G CA -0.766 44.132 45.100 -0.338 0.000 0.847 173 G HN 0.501 nan 8.290 nan 0.000 0.548 174 Y N 1.516 121.928 120.300 0.186 0.000 2.620 174 Y HA 0.445 4.995 4.550 -0.001 0.000 0.330 174 Y C 1.193 177.250 175.900 0.261 0.000 1.186 174 Y CA 0.916 59.206 58.100 0.317 0.000 1.467 174 Y CB 0.503 39.161 38.460 0.331 0.000 1.262 174 Y HN 0.485 nan 8.280 nan 0.000 0.550 175 K N 5.334 125.759 120.400 0.041 0.000 2.259 175 K HA 0.335 4.654 4.320 -0.001 0.000 0.252 175 K C -1.143 175.542 176.600 0.142 0.000 0.936 175 K CA -1.042 55.365 56.287 0.200 0.000 0.810 175 K CB 1.642 34.123 32.500 -0.032 0.000 1.143 175 K HN 0.637 nan 8.250 nan 0.000 0.427 176 D N 0.505 121.042 120.400 0.229 0.000 2.727 176 D HA 0.289 4.929 4.640 -0.001 0.000 0.264 176 D C 0.661 177.036 176.300 0.126 0.000 1.101 176 D CA -0.693 53.409 54.000 0.171 0.000 1.122 176 D CB 0.706 41.620 40.800 0.191 0.000 1.390 176 D HN 0.137 nan 8.370 nan 0.000 0.606 177 R N 0.102 120.660 120.500 0.096 0.000 2.113 177 R HA -0.178 4.162 4.340 -0.001 0.000 0.231 177 R C 1.936 178.289 176.300 0.088 0.000 1.129 177 R CA 1.928 58.070 56.100 0.071 0.000 0.915 177 R CB -1.113 29.222 30.300 0.057 0.000 0.837 177 R HN 0.655 nan 8.270 nan 0.000 0.430 178 E N -0.114 120.144 120.200 0.097 0.000 2.113 178 E HA -0.265 4.085 4.350 -0.001 0.000 0.210 178 E C 1.908 178.607 176.600 0.166 0.000 1.040 178 E CA 1.827 58.290 56.400 0.104 0.000 0.847 178 E CB -0.402 29.350 29.700 0.087 0.000 0.755 178 E HN 0.330 nan 8.360 nan 0.000 0.459 179 Y N 0.535 120.851 120.300 0.027 0.000 2.133 179 Y HA -0.164 4.386 4.550 -0.001 0.000 0.287 179 Y C 2.003 177.909 175.900 0.011 0.000 1.134 179 Y CA 1.311 59.424 58.100 0.021 0.000 1.133 179 Y CB -0.533 37.944 38.460 0.028 0.000 0.987 179 Y HN 0.082 nan 8.280 nan 0.000 0.502 180 I N 0.399 120.975 120.570 0.011 0.000 2.208 180 I HA -0.320 3.850 4.170 -0.001 0.000 0.245 180 I C 2.479 178.569 176.117 -0.044 0.000 1.097 180 I CA 1.405 62.638 61.300 -0.113 0.000 1.363 180 I CB -1.136 36.824 38.000 -0.067 0.000 1.051 180 I HN 0.243 nan 8.210 nan 0.000 0.413 181 R N 0.486 120.996 120.500 0.017 0.000 2.088 181 R HA -0.193 4.147 4.340 -0.001 0.000 0.232 181 R C 2.290 178.609 176.300 0.031 0.000 1.136 181 R CA 1.224 57.337 56.100 0.023 0.000 0.926 181 R CB -1.358 28.965 30.300 0.039 0.000 0.837 181 R HN 0.260 nan 8.270 nan 0.000 0.429 182 L N 1.108 122.372 121.223 0.069 0.000 2.021 182 L HA -0.228 4.111 4.340 -0.001 0.000 0.215 182 L C 2.344 179.252 176.870 0.063 0.000 1.074 182 L CA 2.294 57.184 54.840 0.083 0.000 0.760 182 L CB -0.860 41.283 42.059 0.140 0.000 0.889 182 L HN 0.259 nan 8.230 nan 0.000 0.433 183 A N -0.593 122.247 122.820 0.032 0.000 1.865 183 A HA -0.221 4.098 4.320 -0.001 0.000 0.217 183 A C 2.273 179.845 177.584 -0.020 0.000 1.191 183 A CA 2.232 54.255 52.037 -0.024 0.000 0.623 183 A CB -1.035 17.868 19.000 -0.162 0.000 0.826 183 A HN 0.523 nan 8.150 nan 0.000 0.444 184 L N -0.640 120.565 121.223 -0.031 0.000 2.083 184 L HA -0.169 4.171 4.340 -0.001 0.000 0.209 184 L C 2.393 179.257 176.870 -0.010 0.000 1.083 184 L CA 1.187 56.010 54.840 -0.027 0.000 0.752 184 L CB -0.530 41.513 42.059 -0.028 0.000 0.899 184 L HN 0.389 nan 8.230 nan 0.000 0.433 185 I N -0.241 120.333 120.570 0.006 0.000 2.614 185 I HA -0.158 4.012 4.170 -0.001 0.000 0.258 185 I C 2.467 178.595 176.117 0.018 0.000 1.189 185 I CA 1.117 62.424 61.300 0.011 0.000 1.462 185 I CB -0.638 37.375 38.000 0.021 0.000 1.092 185 I HN 0.255 nan 8.210 nan 0.000 0.442 186 G N 0.249 109.072 108.800 0.039 0.000 2.464 186 G HA2 -0.216 3.744 3.960 -0.001 0.000 0.217 186 G HA3 -0.216 3.744 3.960 -0.001 0.000 0.217 186 G C 1.520 176.454 174.900 0.057 0.000 1.138 186 G CA 0.396 45.543 45.100 0.079 0.000 0.793 186 G HN 0.285 nan 8.290 nan 0.000 0.539 187 E N 0.915 121.125 120.200 0.017 0.000 2.046 187 E HA -0.066 4.283 4.350 -0.001 0.000 0.190 187 E C 2.291 178.876 176.600 -0.024 0.000 0.982 187 E CA 1.135 57.529 56.400 -0.010 0.000 0.800 187 E CB -0.167 29.507 29.700 -0.043 0.000 0.756 187 E HN 0.230 nan 8.360 nan 0.000 0.449 188 K N -0.360 120.026 120.400 -0.024 0.000 2.209 188 K HA -0.055 4.264 4.320 -0.001 0.000 0.204 188 K C 1.869 178.444 176.600 -0.042 0.000 1.048 188 K CA 1.165 57.434 56.287 -0.029 0.000 0.940 188 K CB -0.306 32.181 32.500 -0.022 0.000 0.729 188 K HN 0.172 nan 8.250 nan 0.000 0.451 189 M N -1.301 118.268 119.600 -0.051 0.000 2.374 189 M HA 0.066 4.545 4.480 -0.001 0.000 0.264 189 M C 1.191 177.399 176.300 -0.153 0.000 1.067 189 M CA 1.601 56.843 55.300 -0.096 0.000 1.103 189 M CB 0.220 32.756 32.600 -0.107 0.000 1.402 189 M HN 0.398 nan 8.290 nan 0.000 0.444 190 G N -2.521 106.209 108.800 -0.116 0.000 2.796 190 G HA2 -0.185 3.775 3.960 -0.001 0.000 0.198 190 G HA3 -0.185 3.775 3.960 -0.001 0.000 0.198 190 G C 0.061 174.934 174.900 -0.044 0.000 1.062 190 G CA -0.173 44.862 45.100 -0.107 0.000 0.752 190 G HN 0.526 nan 8.290 nan 0.000 0.487 191 H N 1.426 120.494 119.070 -0.004 0.000 3.038 191 H HA 0.314 4.870 4.556 -0.001 0.000 0.338 191 H C 0.551 175.868 175.328 -0.019 0.000 1.041 191 H CA 0.714 56.764 56.048 0.002 0.000 1.394 191 H CB 0.742 30.514 29.762 0.017 0.000 1.357 191 H HN 0.188 nan 8.280 nan 0.000 0.600 192 K N 3.544 124.022 120.400 0.130 0.000 2.142 192 K HA 0.180 4.499 4.320 -0.001 0.000 0.250 192 K C -1.077 175.521 176.600 -0.003 0.000 1.148 192 K CA -0.291 56.000 56.287 0.006 0.000 1.040 192 K CB 0.147 32.671 32.500 0.040 0.000 1.569 192 K HN 0.242 nan 8.250 nan 0.000 0.361 193 V N 5.421 125.305 119.914 -0.050 0.000 2.383 193 V HA 0.301 4.421 4.120 -0.001 0.000 0.275 193 V C -1.253 174.770 176.094 -0.119 0.000 1.036 193 V CA -0.571 61.726 62.300 -0.006 0.000 0.889 193 V CB 0.369 32.205 31.823 0.023 0.000 0.985 193 V HN 0.471 nan 8.190 nan 0.000 0.459 194 Y N 6.260 126.547 120.300 -0.022 0.000 2.326 194 Y HA 0.515 5.065 4.550 -0.000 0.000 0.337 194 Y C 0.044 175.894 175.900 -0.084 0.000 1.023 194 Y CA -0.730 57.346 58.100 -0.041 0.000 1.143 194 Y CB 1.554 39.990 38.460 -0.039 0.000 1.183 194 Y HN 0.523 nan 8.280 nan 0.000 0.485 195 L N 5.345 126.581 121.223 0.021 0.000 2.287 195 L HA 0.400 4.740 4.340 -0.001 0.000 0.280 195 L C -0.745 176.095 176.870 -0.050 0.000 1.055 195 L CA -0.596 54.203 54.840 -0.070 0.000 0.863 195 L CB 0.150 42.142 42.059 -0.112 0.000 1.245 195 L HN 0.414 nan 8.230 nan 0.000 0.432 196 V N 6.073 125.947 119.914 -0.067 0.000 2.450 196 V HA 0.077 4.197 4.120 -0.001 0.000 0.281 196 V C 0.728 176.786 176.094 -0.060 0.000 1.019 196 V CA -0.249 62.021 62.300 -0.050 0.000 1.062 196 V CB 0.347 32.123 31.823 -0.079 0.000 0.979 196 V HN 0.390 nan 8.190 nan 0.000 0.477 197 I N 5.710 126.267 120.570 -0.021 0.000 2.436 197 I HA 0.203 4.372 4.170 -0.001 0.000 0.289 197 I C 1.007 177.125 176.117 0.001 0.000 1.083 197 I CA 0.549 61.836 61.300 -0.021 0.000 1.372 197 I CB 0.404 38.405 38.000 0.002 0.000 1.408 197 I HN 0.769 nan 8.210 nan 0.000 0.516 198 E N 5.369 125.566 120.200 -0.006 0.000 2.812 198 E HA 0.249 4.599 4.350 -0.001 0.000 0.211 198 E C -0.112 176.558 176.600 0.117 0.000 0.986 198 E CA -0.209 56.229 56.400 0.063 0.000 1.119 198 E CB 0.959 30.676 29.700 0.028 0.000 1.046 198 E HN 0.438 nan 8.360 nan 0.000 0.474 199 K N 0.942 121.372 120.400 0.051 0.000 2.579 199 K HA 0.157 4.477 4.320 -0.001 0.000 0.257 199 K C 0.394 177.005 176.600 0.018 0.000 0.950 199 K CA -0.403 55.911 56.287 0.045 0.000 0.862 199 K CB 0.997 33.505 32.500 0.014 0.000 1.317 199 K HN -0.135 nan 8.250 nan 0.000 0.436 200 M N 1.174 120.793 119.600 0.033 0.000 2.088 200 M HA -0.174 4.305 4.480 -0.001 0.000 0.256 200 M C 1.856 178.164 176.300 0.014 0.000 1.071 200 M CA 2.566 57.883 55.300 0.028 0.000 1.097 200 M CB -1.289 31.334 32.600 0.039 0.000 1.315 200 M HN 0.770 nan 8.290 nan 0.000 0.406 201 S N -0.770 114.938 115.700 0.012 0.000 2.465 201 S HA -0.156 4.314 4.470 -0.001 0.000 0.241 201 S C 1.593 176.184 174.600 -0.015 0.000 1.000 201 S CA 1.300 59.504 58.200 0.007 0.000 0.964 201 S CB -0.594 62.618 63.200 0.020 0.000 0.763 201 S HN 0.575 nan 8.310 nan 0.000 0.512 202 E N 0.546 120.724 120.200 -0.037 0.000 2.076 202 E HA 0.009 4.359 4.350 -0.001 0.000 0.190 202 E C 1.892 178.470 176.600 -0.037 0.000 0.979 202 E CA 0.866 57.231 56.400 -0.059 0.000 0.807 202 E CB -0.273 29.373 29.700 -0.090 0.000 0.761 202 E HN 0.502 nan 8.360 nan 0.000 0.454 203 I N 1.437 121.994 120.570 -0.021 0.000 2.423 203 I HA -0.254 3.915 4.170 -0.001 0.000 0.254 203 I C 2.019 178.132 176.117 -0.008 0.000 1.151 203 I CA 1.090 62.383 61.300 -0.012 0.000 1.421 203 I CB -0.322 37.679 38.000 0.002 0.000 1.079 203 I HN 0.001 nan 8.210 nan 0.000 0.431 204 A N 0.475 123.293 122.820 -0.004 0.000 1.873 204 A HA -0.148 4.172 4.320 -0.001 0.000 0.215 204 A C 2.341 179.924 177.584 -0.002 0.000 1.186 204 A CA 2.008 54.046 52.037 0.001 0.000 0.616 204 A CB -0.883 18.121 19.000 0.007 0.000 0.823 204 A HN 0.472 nan 8.150 nan 0.000 0.442 205 I N 0.386 120.952 120.570 -0.007 0.000 2.113 205 I HA -0.233 3.936 4.170 -0.001 0.000 0.238 205 I C 2.584 178.691 176.117 -0.016 0.000 1.070 205 I CA 1.629 62.925 61.300 -0.007 0.000 1.332 205 I CB -0.567 37.428 38.000 -0.008 0.000 1.044 205 I HN 0.339 nan 8.210 nan 0.000 0.402 206 V N -0.574 119.323 119.914 -0.029 0.000 2.380 206 V HA -0.279 3.841 4.120 -0.001 0.000 0.251 206 V C 2.409 178.488 176.094 -0.025 0.000 1.063 206 V CA 1.659 63.937 62.300 -0.037 0.000 1.055 206 V CB -1.022 30.771 31.823 -0.050 0.000 0.657 206 V HN 0.270 nan 8.190 nan 0.000 0.455 207 L N 1.115 122.328 121.223 -0.017 0.000 1.994 207 L HA -0.123 4.217 4.340 -0.001 0.000 0.208 207 L C 2.583 179.449 176.870 -0.008 0.000 1.071 207 L CA 2.515 57.348 54.840 -0.011 0.000 0.745 207 L CB -1.169 40.887 42.059 -0.005 0.000 0.892 207 L HN 0.547 nan 8.230 nan 0.000 0.431 208 D N -0.652 119.745 120.400 -0.005 0.000 2.097 208 D HA -0.208 4.432 4.640 -0.001 0.000 0.195 208 D C 1.673 177.971 176.300 -0.002 0.000 0.989 208 D CA 1.089 55.089 54.000 -0.001 0.000 0.827 208 D CB 0.282 41.084 40.800 0.003 0.000 0.966 208 D HN 0.307 nan 8.370 nan 0.000 0.456 209 E N 0.263 120.460 120.200 -0.005 0.000 2.268 209 E HA -0.068 4.282 4.350 -0.001 0.000 0.195 209 E C 1.911 178.506 176.600 -0.009 0.000 0.995 209 E CA 0.500 56.897 56.400 -0.004 0.000 0.836 209 E CB -0.103 29.594 29.700 -0.006 0.000 0.763 209 E HN 0.370 nan 8.360 nan 0.000 0.491 210 A N 1.314 124.126 122.820 -0.013 0.000 1.929 210 A HA -0.137 4.183 4.320 -0.001 0.000 0.216 210 A C 1.942 179.519 177.584 -0.011 0.000 1.176 210 A CA 1.004 53.032 52.037 -0.015 0.000 0.628 210 A CB -0.049 18.940 19.000 -0.019 0.000 0.816 210 A HN 0.014 nan 8.150 nan 0.000 0.444 211 E N 0.180 120.376 120.200 -0.007 0.000 2.112 211 E HA -0.073 4.277 4.350 -0.001 0.000 0.190 211 E C 2.159 178.757 176.600 -0.003 0.000 0.979 211 E CA 0.648 57.045 56.400 -0.005 0.000 0.814 211 E CB -0.413 29.285 29.700 -0.002 0.000 0.762 211 E HN 0.584 nan 8.360 nan 0.000 0.460 212 R N 0.347 120.846 120.500 -0.002 0.000 2.081 212 R HA -0.009 4.331 4.340 -0.001 0.000 0.235 212 R C 2.254 178.554 176.300 -0.001 0.000 1.131 212 R CA 0.923 57.024 56.100 0.000 0.000 0.960 212 R CB -0.282 30.020 30.300 0.003 0.000 0.856 212 R HN 0.157 nan 8.270 nan 0.000 0.436 213 L N 0.848 122.069 121.223 -0.003 0.000 2.591 213 L HA 0.053 4.393 4.340 -0.001 0.000 0.228 213 L C 0.329 177.195 176.870 -0.007 0.000 1.133 213 L CA -0.216 54.621 54.840 -0.004 0.000 0.880 213 L CB -0.320 41.737 42.059 -0.005 0.000 1.033 213 L HN 0.297 nan 8.230 nan 0.000 0.450 214 N N 1.505 120.201 118.700 -0.007 0.000 2.614 214 N HA -0.178 4.561 4.740 -0.001 0.000 0.276 214 N C -1.350 174.153 175.510 -0.012 0.000 1.119 214 N CA 0.330 53.375 53.050 -0.008 0.000 0.742 214 N CB -0.405 38.078 38.487 -0.006 0.000 0.900 214 N HN 0.040 nan 8.380 nan 0.000 0.549 215 V N 1.732 121.638 119.914 -0.015 0.000 2.851 215 V HA 0.281 4.400 4.120 -0.001 0.000 0.307 215 V C 0.171 176.251 176.094 -0.023 0.000 1.129 215 V CA -1.045 61.243 62.300 -0.020 0.000 0.932 215 V CB 1.978 33.787 31.823 -0.022 0.000 1.024 215 V HN 0.160 nan 8.190 nan 0.000 0.426 216 V N 7.261 127.159 119.914 -0.025 0.000 2.397 216 V HA 0.350 4.469 4.120 -0.001 0.000 0.262 216 V C -1.697 174.373 176.094 -0.040 0.000 1.047 216 V CA -1.070 61.214 62.300 -0.027 0.000 1.003 216 V CB 0.959 32.767 31.823 -0.025 0.000 1.037 216 V HN 0.854 nan 8.190 nan 0.000 0.480 217 P HA 0.169 nan 4.420 nan 0.000 0.271 217 P C -0.821 176.442 177.300 -0.062 0.000 1.220 217 P CA -0.190 62.880 63.100 -0.050 0.000 0.768 217 P CB 0.520 32.197 31.700 -0.038 0.000 0.848 218 R N 4.789 125.228 120.500 -0.101 0.000 2.275 218 R HA 0.510 4.850 4.340 -0.001 0.000 0.326 218 R C -0.401 175.828 176.300 -0.119 0.000 0.973 218 R CA -0.641 55.368 56.100 -0.153 0.000 0.854 218 R CB 0.141 30.259 30.300 -0.303 0.000 1.156 218 R HN 0.600 nan 8.270 nan 0.000 0.487 219 L N 0.505 121.718 121.223 -0.017 0.000 2.359 219 L HA 0.938 5.277 4.340 -0.001 0.000 0.256 219 L C -0.742 176.206 176.870 0.130 0.000 1.026 219 L CA -1.004 53.864 54.840 0.047 0.000 0.828 219 L CB 2.254 44.316 42.059 0.005 0.000 1.406 219 L HN 0.587 nan 8.230 nan 0.000 0.413 220 G N 0.026 108.904 108.800 0.131 0.000 2.685 220 G HA2 0.641 4.601 3.960 -0.001 0.000 0.298 220 G HA3 0.641 4.601 3.960 -0.001 0.000 0.298 220 G C -1.723 173.223 174.900 0.077 0.000 1.277 220 G CA -0.775 44.399 45.100 0.124 0.000 0.986 220 G HN 0.605 nan 8.290 nan 0.000 0.487 221 V N 0.140 120.106 119.914 0.087 0.000 2.735 221 V HA 0.787 4.907 4.120 -0.001 0.000 0.310 221 V C -0.871 175.267 176.094 0.073 0.000 1.061 221 V CA -1.180 61.160 62.300 0.068 0.000 0.913 221 V CB 1.962 33.824 31.823 0.064 0.000 1.005 221 V HN 0.676 nan 8.190 nan 0.000 0.428 222 R N 4.675 125.207 120.500 0.053 0.000 2.288 222 R HA 0.728 5.067 4.340 -0.001 0.000 0.326 222 R C -0.559 175.711 176.300 -0.051 0.000 0.959 222 R CA -0.093 56.022 56.100 0.025 0.000 0.834 222 R CB 1.139 31.483 30.300 0.073 0.000 1.157 222 R HN 0.875 nan 8.270 nan 0.000 0.470 223 A N 5.064 127.769 122.820 -0.190 0.000 2.306 223 A HA 0.525 4.845 4.320 -0.001 0.000 0.314 223 A C -0.110 177.330 177.584 -0.241 0.000 1.164 223 A CA -0.683 51.156 52.037 -0.330 0.000 0.822 223 A CB 0.752 19.174 19.000 -0.964 0.000 1.130 223 A HN 0.764 nan 8.150 nan 0.000 0.496 224 R N 0.787 121.251 120.500 -0.059 0.000 2.543 224 R HA 0.422 4.761 4.340 -0.001 0.000 0.277 224 R C -0.824 175.552 176.300 0.126 0.000 1.074 224 R CA 0.098 56.234 56.100 0.060 0.000 1.076 224 R CB 0.375 30.755 30.300 0.134 0.000 0.993 224 R HN 0.630 nan 8.270 nan 0.000 0.459 225 L N 1.289 122.596 121.223 0.140 0.000 2.334 225 L HA 0.436 4.776 4.340 -0.001 0.000 0.276 225 L C 0.736 177.737 176.870 0.219 0.000 1.014 225 L CA -0.570 54.383 54.840 0.189 0.000 0.815 225 L CB 1.889 44.004 42.059 0.093 0.000 1.268 225 L HN 0.747 nan 8.230 nan 0.000 0.428 226 A N 0.673 123.626 122.820 0.222 0.000 2.308 226 A HA 0.015 4.334 4.320 -0.001 0.000 0.217 226 A C 2.044 179.712 177.584 0.140 0.000 1.216 226 A CA 0.716 52.887 52.037 0.223 0.000 0.864 226 A CB 0.009 19.092 19.000 0.139 0.000 0.902 226 A HN 0.809 nan 8.150 nan 0.000 0.499 227 S N 0.170 115.931 115.700 0.103 0.000 2.359 227 S HA -0.308 4.162 4.470 -0.001 0.000 0.224 227 S C 2.132 176.771 174.600 0.066 0.000 1.035 227 S CA 1.952 60.191 58.200 0.065 0.000 1.018 227 S CB -0.427 62.797 63.200 0.040 0.000 0.876 227 S HN 0.694 nan 8.310 nan 0.000 0.448 228 Q N 0.750 120.595 119.800 0.075 0.000 2.096 228 Q HA -0.072 4.268 4.340 -0.001 0.000 0.208 228 Q C 0.952 176.992 176.000 0.067 0.000 0.993 228 Q CA 1.539 57.380 55.803 0.063 0.000 0.862 228 Q CB -0.857 27.917 28.738 0.061 0.000 0.915 228 Q HN 0.887 nan 8.270 nan 0.000 0.416 229 G N -0.155 108.703 108.800 0.096 0.000 2.799 229 G HA2 -0.137 3.822 3.960 -0.001 0.000 0.271 229 G HA3 -0.137 3.822 3.960 -0.001 0.000 0.271 229 G C 0.015 174.968 174.900 0.087 0.000 1.067 229 G CA 0.332 45.493 45.100 0.102 0.000 1.251 229 G HN 0.790 nan 8.290 nan 0.000 0.560 230 S N -1.088 114.674 115.700 0.102 0.000 2.923 230 S HA 0.475 4.945 4.470 -0.001 0.000 0.193 230 S C 1.622 176.226 174.600 0.006 0.000 0.775 230 S CA 1.056 59.287 58.200 0.052 0.000 1.205 230 S CB 0.165 63.378 63.200 0.022 0.000 1.330 230 S HN 2.536 nan 8.310 nan 0.000 0.555 231 G N 2.083 110.899 108.800 0.026 0.000 2.137 231 G HA2 -0.280 3.680 3.960 -0.001 0.000 0.237 231 G HA3 -0.280 3.680 3.960 -0.001 0.000 0.237 231 G C 0.662 175.305 174.900 -0.429 0.000 1.002 231 G CA 0.385 45.297 45.100 -0.313 0.000 0.702 231 G HN 0.369 nan 8.290 nan 0.000 0.515 232 K N 0.489 120.804 120.400 -0.141 0.000 2.432 232 K HA 0.043 4.362 4.320 -0.001 0.000 0.196 232 K C 2.313 178.898 176.600 -0.025 0.000 1.038 232 K CA 1.130 57.373 56.287 -0.073 0.000 0.986 232 K CB -0.336 32.181 32.500 0.029 0.000 0.782 232 K HN 0.828 nan 8.250 nan 0.000 0.485 233 W N 1.041 122.368 121.300 0.046 0.000 2.467 233 W HA 0.023 4.683 4.660 -0.001 0.000 0.275 233 W C 0.625 177.179 176.519 0.058 0.000 1.239 233 W CA -0.408 56.975 57.345 0.063 0.000 1.266 233 W CB -0.633 28.866 29.460 0.065 0.000 1.112 233 W HN -0.042 nan 8.180 nan 0.000 0.576 234 Q N 1.756 121.115 119.800 -0.736 0.000 2.354 234 Q HA 0.055 4.395 4.340 -0.001 0.000 0.244 234 Q C 1.209 177.064 176.000 -0.240 0.000 0.969 234 Q CA 0.693 56.077 55.803 -0.699 0.000 0.885 234 Q CB 1.329 29.377 28.738 -1.149 0.000 1.241 234 Q HN 0.120 nan 8.270 nan 0.000 0.461 235 S N -0.858 114.778 115.700 -0.107 0.000 2.512 235 S HA 0.042 4.512 4.470 -0.001 0.000 0.216 235 S C 0.927 175.494 174.600 -0.055 0.000 1.006 235 S CA 0.318 58.495 58.200 -0.039 0.000 0.915 235 S CB 0.436 63.655 63.200 0.032 0.000 0.824 235 S HN 0.561 nan 8.310 nan 0.000 0.497 236 S N 0.280 115.927 115.700 -0.087 0.000 2.733 236 S HA 0.466 4.935 4.470 -0.001 0.000 0.247 236 S C 1.019 175.558 174.600 -0.100 0.000 1.043 236 S CA -0.107 58.053 58.200 -0.068 0.000 1.066 236 S CB -0.194 62.986 63.200 -0.033 0.000 1.045 236 S HN 0.546 nan 8.310 nan 0.000 0.586 237 G N 0.854 109.554 108.800 -0.167 0.000 2.699 237 G HA2 0.412 4.371 3.960 -0.001 0.000 0.246 237 G HA3 0.412 4.371 3.960 -0.001 0.000 0.246 237 G C 0.922 175.749 174.900 -0.123 0.000 1.219 237 G CA -0.219 44.777 45.100 -0.173 0.000 0.866 237 G HN 0.434 nan 8.290 nan 0.000 0.572 238 G N -1.066 107.672 108.800 -0.103 0.000 2.776 238 G HA2 0.088 4.048 3.960 -0.001 0.000 0.209 238 G HA3 0.088 4.048 3.960 -0.001 0.000 0.209 238 G C 0.662 175.511 174.900 -0.084 0.000 1.145 238 G CA 0.291 45.344 45.100 -0.079 0.000 0.791 238 G HN 0.615 nan 8.290 nan 0.000 0.530 239 E N 0.920 121.055 120.200 -0.108 0.000 2.384 239 E HA 0.168 4.518 4.350 -0.001 0.000 0.266 239 E C 0.338 176.883 176.600 -0.090 0.000 1.012 239 E CA -0.048 56.291 56.400 -0.101 0.000 0.901 239 E CB 0.421 30.040 29.700 -0.134 0.000 0.967 239 E HN 0.139 nan 8.360 nan 0.000 0.435 240 K N 2.610 122.966 120.400 -0.073 0.000 2.737 240 K HA 0.192 4.512 4.320 -0.001 0.000 0.251 240 K C -0.782 175.775 176.600 -0.072 0.000 1.280 240 K CA -0.061 56.183 56.287 -0.073 0.000 1.219 240 K CB 0.091 32.555 32.500 -0.060 0.000 1.587 240 K HN 0.223 nan 8.250 nan 0.000 0.279 241 S N 2.031 117.682 115.700 -0.082 0.000 2.474 241 S HA 0.170 4.639 4.470 -0.001 0.000 0.320 241 S C 0.842 175.373 174.600 -0.115 0.000 1.067 241 S CA -0.844 57.316 58.200 -0.067 0.000 1.127 241 S CB 1.096 64.264 63.200 -0.052 0.000 0.971 241 S HN 0.288 nan 8.310 nan 0.000 0.472 242 K N 2.121 122.425 120.400 -0.159 0.000 1.981 242 K HA -0.095 4.224 4.320 -0.001 0.000 0.228 242 K C 0.184 176.432 176.600 -0.587 0.000 1.050 242 K CA 1.840 57.861 56.287 -0.443 0.000 1.001 242 K CB -0.249 31.983 32.500 -0.448 0.000 0.738 242 K HN 0.529 nan 8.250 nan 0.000 0.447 243 F N -1.719 118.264 119.950 0.056 0.000 2.631 243 F HA 0.574 5.101 4.527 -0.001 0.000 0.350 243 F C 0.554 176.371 175.800 0.029 0.000 1.080 243 F CA -0.416 57.614 58.000 0.049 0.000 1.026 243 F CB 1.497 40.529 39.000 0.053 0.000 1.347 243 F HN 0.397 nan 8.300 nan 0.000 0.501 244 G N 0.400 109.349 108.800 0.249 0.000 2.402 244 G HA2 0.307 4.267 3.960 -0.001 0.000 0.666 244 G HA3 0.307 4.267 3.960 -0.001 0.000 0.666 244 G C -2.559 172.399 174.900 0.095 0.000 1.402 244 G CA -1.226 43.950 45.100 0.126 0.000 0.920 244 G HN 0.500 nan 8.290 nan 0.000 0.651 245 L N 1.427 122.690 121.223 0.066 0.000 2.307 245 L HA 0.814 5.154 4.340 -0.001 0.000 0.284 245 L C 1.154 178.090 176.870 0.110 0.000 1.023 245 L CA 0.091 54.978 54.840 0.079 0.000 0.810 245 L CB 1.371 43.470 42.059 0.066 0.000 1.231 245 L HN 1.352 nan 8.230 nan 0.000 0.423 246 A N 2.785 125.689 122.820 0.140 0.000 2.366 246 A HA 0.555 4.875 4.320 -0.001 0.000 0.249 246 A C 1.425 179.145 177.584 0.226 0.000 1.084 246 A CA 0.329 52.492 52.037 0.209 0.000 0.794 246 A CB 0.194 19.321 19.000 0.213 0.000 1.034 246 A HN 1.027 nan 8.150 nan 0.000 0.491 247 A N 1.352 124.336 122.820 0.274 0.000 1.929 247 A HA -0.202 4.118 4.320 -0.001 0.000 0.221 247 A C 2.115 179.801 177.584 0.170 0.000 1.211 247 A CA 2.939 55.121 52.037 0.242 0.000 0.657 247 A CB -1.560 17.530 19.000 0.151 0.000 0.827 247 A HN 0.898 nan 8.150 nan 0.000 0.462 248 T N -0.179 114.461 114.554 0.143 0.000 2.788 248 T HA -0.155 4.194 4.350 -0.001 0.000 0.268 248 T C 1.964 176.725 174.700 0.102 0.000 1.044 248 T CA 1.669 63.833 62.100 0.106 0.000 1.139 248 T CB -0.253 68.675 68.868 0.100 0.000 0.867 248 T HN 0.682 nan 8.240 nan 0.000 0.454 249 Q N 0.262 120.130 119.800 0.113 0.000 2.230 249 Q HA 0.017 4.357 4.340 -0.001 0.000 0.202 249 Q C 2.484 178.541 176.000 0.096 0.000 0.963 249 Q CA 0.693 56.553 55.803 0.094 0.000 0.866 249 Q CB -0.211 28.582 28.738 0.091 0.000 0.931 249 Q HN 0.358 nan 8.270 nan 0.000 0.452 250 V N 1.065 121.054 119.914 0.125 0.000 2.427 250 V HA -0.234 3.886 4.120 -0.001 0.000 0.248 250 V C 2.103 178.264 176.094 0.111 0.000 1.051 250 V CA 1.427 63.807 62.300 0.133 0.000 1.048 250 V CB -0.402 31.551 31.823 0.217 0.000 0.666 250 V HN 0.338 nan 8.190 nan 0.000 0.456 251 L N -0.596 120.689 121.223 0.104 0.000 2.093 251 L HA -0.208 4.132 4.340 -0.001 0.000 0.208 251 L C 2.644 179.550 176.870 0.059 0.000 1.085 251 L CA 1.529 56.414 54.840 0.075 0.000 0.755 251 L CB -0.552 41.545 42.059 0.063 0.000 0.904 251 L HN 0.352 nan 8.230 nan 0.000 0.435 252 Q N -0.329 119.507 119.800 0.060 0.000 2.224 252 Q HA -0.185 4.155 4.340 -0.001 0.000 0.203 252 Q C 2.325 178.351 176.000 0.044 0.000 0.970 252 Q CA 1.097 56.929 55.803 0.048 0.000 0.865 252 Q CB 0.004 28.771 28.738 0.049 0.000 0.922 252 Q HN 0.526 nan 8.270 nan 0.000 0.445 253 L N 0.016 121.269 121.223 0.050 0.000 2.044 253 L HA -0.145 4.195 4.340 -0.001 0.000 0.205 253 L C 2.107 179.001 176.870 0.040 0.000 1.075 253 L CA 0.756 55.622 54.840 0.043 0.000 0.747 253 L CB -0.062 42.026 42.059 0.050 0.000 0.903 253 L HN 0.076 nan 8.230 nan 0.000 0.435 254 V N -0.096 119.846 119.914 0.046 0.000 2.392 254 V HA -0.279 3.841 4.120 -0.001 0.000 0.249 254 V C 2.425 178.536 176.094 0.029 0.000 1.059 254 V CA 1.958 64.281 62.300 0.038 0.000 1.051 254 V CB -0.571 31.277 31.823 0.043 0.000 0.658 254 V HN 0.458 nan 8.190 nan 0.000 0.455 255 E N 0.459 120.677 120.200 0.030 0.000 2.072 255 E HA -0.156 4.194 4.350 -0.001 0.000 0.191 255 E C 2.264 178.877 176.600 0.021 0.000 0.985 255 E CA 1.812 58.227 56.400 0.025 0.000 0.801 255 E CB -0.464 29.251 29.700 0.026 0.000 0.750 255 E HN 0.562 nan 8.360 nan 0.000 0.452 256 T N 0.616 115.184 114.554 0.023 0.000 2.821 256 T HA -0.059 4.290 4.350 -0.001 0.000 0.267 256 T C 1.655 176.364 174.700 0.016 0.000 1.046 256 T CA 1.020 63.131 62.100 0.019 0.000 1.139 256 T CB -0.156 68.723 68.868 0.019 0.000 0.871 256 T HN 0.142 nan 8.240 nan 0.000 0.454 257 L N 0.439 121.672 121.223 0.017 0.000 2.376 257 L HA 0.076 4.415 4.340 -0.001 0.000 0.219 257 L C 2.651 179.529 176.870 0.012 0.000 1.133 257 L CA 0.677 55.525 54.840 0.014 0.000 0.816 257 L CB -0.292 41.776 42.059 0.016 0.000 0.933 257 L HN 0.103 nan 8.230 nan 0.000 0.449 258 R N 0.209 120.717 120.500 0.013 0.000 2.093 258 R HA -0.093 4.247 4.340 -0.001 0.000 0.224 258 R C 2.198 178.504 176.300 0.010 0.000 1.101 258 R CA 0.895 57.002 56.100 0.012 0.000 0.979 258 R CB 0.083 30.390 30.300 0.013 0.000 0.877 258 R HN 0.196 nan 8.270 nan 0.000 0.441 259 E N 0.349 120.556 120.200 0.011 0.000 2.047 259 E HA -0.110 4.240 4.350 -0.001 0.000 0.191 259 E C 1.521 178.126 176.600 0.008 0.000 0.987 259 E CA 1.491 57.897 56.400 0.010 0.000 0.799 259 E CB -0.380 29.326 29.700 0.011 0.000 0.752 259 E HN 0.413 nan 8.360 nan 0.000 0.449 260 A N 0.589 123.413 122.820 0.008 0.000 2.278 260 A HA 0.331 4.651 4.320 -0.001 0.000 0.212 260 A C 1.356 178.943 177.584 0.005 0.000 1.213 260 A CA 0.631 52.672 52.037 0.006 0.000 0.840 260 A CB -0.553 18.450 19.000 0.005 0.000 0.866 260 A HN 0.217 nan 8.150 nan 0.000 0.489 261 G N 0.289 109.092 108.800 0.006 0.000 2.386 261 G HA2 -0.270 3.690 3.960 -0.001 0.000 0.295 261 G HA3 -0.270 3.690 3.960 -0.001 0.000 0.295 261 G C 0.340 175.243 174.900 0.005 0.000 0.979 261 G CA 0.525 45.629 45.100 0.006 0.000 1.193 261 G HN 0.589 nan 8.290 nan 0.000 0.508 262 R N -0.425 120.079 120.500 0.006 0.000 2.661 262 R HA 0.243 4.583 4.340 -0.001 0.000 0.429 262 R C 1.801 178.106 176.300 0.008 0.000 1.044 262 R CA -0.544 55.559 56.100 0.005 0.000 1.065 262 R CB 0.161 30.462 30.300 0.002 0.000 1.377 262 R HN 0.421 nan 8.270 nan 0.000 0.600 263 L N 0.223 121.451 121.223 0.008 0.000 2.362 263 L HA -0.137 4.203 4.340 -0.001 0.000 0.219 263 L C 1.221 178.097 176.870 0.010 0.000 1.134 263 L CA 1.163 56.008 54.840 0.008 0.000 0.807 263 L CB -0.119 41.942 42.059 0.004 0.000 0.927 263 L HN 0.220 nan 8.230 nan 0.000 0.447 264 D N -0.574 119.833 120.400 0.011 0.000 2.269 264 D HA -0.094 4.546 4.640 -0.001 0.000 0.208 264 D C 2.223 178.535 176.300 0.020 0.000 0.963 264 D CA 0.865 54.875 54.000 0.017 0.000 0.864 264 D CB 0.292 41.100 40.800 0.014 0.000 0.936 264 D HN 0.238 nan 8.370 nan 0.000 0.505 265 S N 0.689 116.397 115.700 0.013 0.000 2.345 265 S HA -0.058 4.412 4.470 -0.001 0.000 0.219 265 S C 1.222 175.840 174.600 0.030 0.000 1.031 265 S CA -0.055 58.149 58.200 0.007 0.000 0.984 265 S CB -0.009 63.190 63.200 -0.002 0.000 0.874 265 S HN 0.272 nan 8.310 nan 0.000 0.451 266 L N 3.448 124.694 121.223 0.038 0.000 2.565 266 L HA 0.036 4.375 4.340 -0.001 0.000 0.275 266 L C 0.681 177.604 176.870 0.088 0.000 1.137 266 L CA 0.162 55.040 54.840 0.063 0.000 0.915 266 L CB 0.113 42.203 42.059 0.051 0.000 1.232 266 L HN 0.380 nan 8.230 nan 0.000 0.473 267 Q N 4.714 124.601 119.800 0.146 0.000 2.064 267 Q HA 0.294 4.634 4.340 -0.001 0.000 0.213 267 Q C -0.692 175.454 176.000 0.242 0.000 0.779 267 Q CA -0.395 55.520 55.803 0.187 0.000 1.032 267 Q CB 0.663 29.520 28.738 0.198 0.000 1.203 267 Q HN 0.599 nan 8.270 nan 0.000 0.457 268 L N 1.371 122.724 121.223 0.217 0.000 2.408 268 L HA 0.598 4.938 4.340 -0.001 0.000 0.268 268 L C -1.880 175.082 176.870 0.153 0.000 0.986 268 L CA -1.313 53.619 54.840 0.154 0.000 0.820 268 L CB 2.336 44.427 42.059 0.052 0.000 1.303 268 L HN 0.161 nan 8.230 nan 0.000 0.411 269 L N 4.267 125.600 121.223 0.183 0.000 2.313 269 L HA 0.566 4.906 4.340 -0.001 0.000 0.283 269 L C -1.093 175.870 176.870 0.154 0.000 1.013 269 L CA -0.031 54.934 54.840 0.210 0.000 0.816 269 L CB 1.271 43.554 42.059 0.375 0.000 1.236 269 L HN 0.679 nan 8.230 nan 0.000 0.419 270 H N 4.255 123.325 119.070 0.000 0.000 2.717 270 H HA 0.735 5.290 4.556 -0.000 0.000 0.366 270 H C -1.633 173.723 175.328 0.046 0.000 1.132 270 H CA -0.862 55.151 56.048 -0.058 0.000 1.180 270 H CB 1.518 31.223 29.762 -0.095 0.000 1.678 270 H HN 0.448 nan 8.280 nan 0.000 0.537 271 F N 2.154 121.759 119.950 -0.575 0.000 2.628 271 F HA 0.483 5.010 4.527 -0.000 0.000 0.309 271 F C -2.060 173.497 175.800 -0.404 0.000 1.108 271 F CA -0.849 56.859 58.000 -0.487 0.000 0.971 271 F CB 1.344 40.181 39.000 -0.271 0.000 1.279 271 F HN 0.643 nan 8.300 nan 0.000 0.441 272 H N 4.052 122.916 119.070 -0.344 0.000 2.744 272 H HA 0.569 5.124 4.556 -0.000 0.000 0.339 272 H C -0.531 174.793 175.328 -0.006 0.000 1.004 272 H CA -0.879 55.019 56.048 -0.251 0.000 1.257 272 H CB 1.763 31.418 29.762 -0.178 0.000 1.552 272 H HN 0.806 nan 8.280 nan 0.000 0.522 273 L N 3.797 124.828 121.223 -0.319 0.000 2.509 273 L HA 0.408 4.748 4.340 -0.001 0.000 0.222 273 L C 1.042 177.728 176.870 -0.307 0.000 1.123 273 L CA 0.576 55.322 54.840 -0.157 0.000 0.856 273 L CB -0.207 41.852 42.059 0.000 0.000 0.985 273 L HN 0.888 nan 8.230 nan 0.000 0.456 274 G N -0.744 107.563 108.800 -0.822 0.000 2.408 274 G HA2 -0.104 3.855 3.960 -0.001 0.000 0.682 274 G HA3 -0.104 3.855 3.960 -0.001 0.000 0.682 274 G C -0.861 173.908 174.900 -0.218 0.000 1.303 274 G CA -0.706 44.128 45.100 -0.442 0.000 0.966 274 G HN -0.063 nan 8.290 nan 0.000 0.560 275 S N 0.297 116.021 115.700 0.041 0.000 2.672 275 S HA 0.625 5.094 4.470 -0.001 0.000 0.276 275 S C 0.241 174.885 174.600 0.072 0.000 1.207 275 S CA -0.138 58.130 58.200 0.112 0.000 1.002 275 S CB 1.347 64.634 63.200 0.144 0.000 0.998 275 S HN 1.012 nan 8.310 nan 0.000 0.542 276 Q N 0.498 120.366 119.800 0.113 0.000 2.434 276 Q HA -0.176 4.164 4.340 -0.001 0.000 0.366 276 Q C -1.098 174.958 176.000 0.093 0.000 1.398 276 Q CA 0.435 56.300 55.803 0.104 0.000 1.074 276 Q CB -0.966 27.820 28.738 0.080 0.000 1.236 276 Q HN 0.589 nan 8.270 nan 0.000 0.329 277 M N 0.633 120.317 119.600 0.141 0.000 2.201 277 M HA 0.278 4.758 4.480 -0.001 0.000 0.345 277 M C 1.097 177.550 176.300 0.255 0.000 1.352 277 M CA 0.557 55.960 55.300 0.172 0.000 1.218 277 M CB 0.809 33.521 32.600 0.187 0.000 1.512 277 M HN 0.403 nan 8.290 nan 0.000 0.447 278 A N 4.204 127.117 122.820 0.156 0.000 1.845 278 A HA -0.112 4.208 4.320 -0.001 0.000 0.215 278 A C 1.077 178.792 177.584 0.218 0.000 1.195 278 A CA 1.350 53.465 52.037 0.129 0.000 0.616 278 A CB -0.501 18.538 19.000 0.065 0.000 0.832 278 A HN 0.728 nan 8.150 nan 0.000 0.443 279 N N -0.487 118.329 118.700 0.193 0.000 2.444 279 N HA 0.257 4.997 4.740 -0.001 0.000 0.271 279 N C 0.410 176.032 175.510 0.187 0.000 1.069 279 N CA -0.341 52.819 53.050 0.184 0.000 0.965 279 N CB 0.891 39.435 38.487 0.095 0.000 1.092 279 N HN 0.186 nan 8.380 nan 0.000 0.476 280 I N 3.827 124.517 120.570 0.201 0.000 2.361 280 I HA -0.084 4.085 4.170 -0.001 0.000 0.251 280 I C 2.120 178.190 176.117 -0.078 0.000 1.133 280 I CA 1.330 62.583 61.300 -0.079 0.000 1.413 280 I CB -0.182 37.808 38.000 -0.017 0.000 1.073 280 I HN 0.670 nan 8.210 nan 0.000 0.424 281 R N 0.268 120.764 120.500 -0.006 0.000 2.120 281 R HA -0.174 4.166 4.340 -0.001 0.000 0.234 281 R C 1.656 177.952 176.300 -0.006 0.000 1.123 281 R CA 1.704 57.797 56.100 -0.011 0.000 0.975 281 R CB -0.327 29.977 30.300 0.006 0.000 0.866 281 R HN 0.363 nan 8.270 nan 0.000 0.446 282 D N 0.463 120.870 120.400 0.012 0.000 2.178 282 D HA -0.142 4.498 4.640 -0.001 0.000 0.201 282 D C 1.809 178.124 176.300 0.025 0.000 0.980 282 D CA 1.148 55.163 54.000 0.025 0.000 0.842 282 D CB -0.029 40.797 40.800 0.043 0.000 0.948 282 D HN 0.360 nan 8.370 nan 0.000 0.472 283 I N 0.708 121.278 120.570 0.000 0.000 2.277 283 I HA -0.155 4.015 4.170 -0.001 0.000 0.243 283 I C 2.459 178.574 176.117 -0.003 0.000 1.094 283 I CA 0.746 62.055 61.300 0.014 0.000 1.393 283 I CB -0.229 37.736 38.000 -0.058 0.000 1.078 283 I HN -0.091 nan 8.210 nan 0.000 0.417 284 A N 0.051 122.843 122.820 -0.046 0.000 1.908 284 A HA -0.270 4.050 4.320 -0.001 0.000 0.218 284 A C 2.435 180.008 177.584 -0.019 0.000 1.181 284 A CA 2.636 54.647 52.037 -0.043 0.000 0.627 284 A CB -1.151 17.817 19.000 -0.054 0.000 0.818 284 A HN 0.389 nan 8.150 nan 0.000 0.445 285 T N -1.243 113.304 114.554 -0.012 0.000 3.035 285 T HA 0.079 4.429 4.350 -0.001 0.000 0.268 285 T C 1.647 176.337 174.700 -0.018 0.000 1.109 285 T CA 1.706 63.802 62.100 -0.007 0.000 1.119 285 T CB -0.407 68.464 68.868 0.004 0.000 0.900 285 T HN 0.489 nan 8.240 nan 0.000 0.503 286 G N 0.689 109.480 108.800 -0.014 0.000 2.411 286 G HA2 -0.044 3.916 3.960 -0.001 0.000 0.213 286 G HA3 -0.044 3.916 3.960 -0.001 0.000 0.213 286 G C 1.657 176.382 174.900 -0.291 0.000 1.166 286 G CA 0.979 46.039 45.100 -0.068 0.000 0.802 286 G HN 0.539 nan 8.290 nan 0.000 0.533 287 V N -1.134 118.707 119.914 -0.122 0.000 2.323 287 V HA 0.020 4.140 4.120 -0.001 0.000 0.244 287 V C 2.599 178.687 176.094 -0.010 0.000 1.041 287 V CA 1.294 63.552 62.300 -0.071 0.000 1.025 287 V CB -0.743 31.168 31.823 0.146 0.000 0.656 287 V HN 0.108 nan 8.190 nan 0.000 0.451 288 R N 0.564 121.061 120.500 -0.006 0.000 2.133 288 R HA -0.279 4.061 4.340 -0.001 0.000 0.245 288 R C 2.448 178.755 176.300 0.013 0.000 1.137 288 R CA 2.636 58.741 56.100 0.008 0.000 0.947 288 R CB -0.595 29.704 30.300 -0.001 0.000 0.865 288 R HN 0.853 nan 8.270 nan 0.000 0.437 289 E N -0.184 120.009 120.200 -0.012 0.000 2.006 289 E HA -0.125 4.225 4.350 -0.001 0.000 0.192 289 E C 1.971 178.647 176.600 0.125 0.000 0.993 289 E CA 1.330 57.746 56.400 0.027 0.000 0.808 289 E CB -0.182 29.537 29.700 0.031 0.000 0.764 289 E HN 0.084 nan 8.360 nan 0.000 0.449 290 S N -0.414 115.289 115.700 0.004 0.000 2.423 290 S HA -0.213 4.257 4.470 -0.001 0.000 0.238 290 S C 1.825 176.662 174.600 0.394 0.000 1.028 290 S CA 1.166 59.411 58.200 0.076 0.000 1.000 290 S CB -0.366 62.399 63.200 -0.724 0.000 0.797 290 S HN 0.479 nan 8.310 nan 0.000 0.487 291 A N 1.072 124.085 122.820 0.321 0.000 2.015 291 A HA 0.008 4.327 4.320 -0.001 0.000 0.219 291 A C 2.147 179.873 177.584 0.238 0.000 1.163 291 A CA 0.817 53.015 52.037 0.269 0.000 0.646 291 A CB -0.342 18.703 19.000 0.075 0.000 0.806 291 A HN 0.481 nan 8.150 nan 0.000 0.448 292 R N -1.823 118.781 120.500 0.173 0.000 2.189 292 R HA -0.007 4.332 4.340 -0.001 0.000 0.218 292 R C 1.445 177.800 176.300 0.091 0.000 1.074 292 R CA 0.916 57.061 56.100 0.074 0.000 0.991 292 R CB -0.364 29.908 30.300 -0.047 0.000 0.883 292 R HN 0.586 nan 8.270 nan 0.000 0.457 293 F N -0.519 119.519 119.950 0.147 0.000 2.234 293 F HA -0.203 4.324 4.527 -0.001 0.000 0.299 293 F C 2.246 178.174 175.800 0.214 0.000 1.087 293 F CA 1.069 59.163 58.000 0.156 0.000 1.340 293 F CB -0.393 38.706 39.000 0.165 0.000 1.031 293 F HN 0.021 nan 8.300 nan 0.000 0.500 294 Y N 0.059 120.560 120.300 0.336 0.000 2.089 294 Y HA -0.231 4.319 4.550 -0.001 0.000 0.282 294 Y C 2.539 178.580 175.900 0.234 0.000 1.139 294 Y CA 1.717 59.978 58.100 0.268 0.000 1.123 294 Y CB -1.025 37.529 38.460 0.156 0.000 0.980 294 Y HN -0.098 nan 8.280 nan 0.000 0.493 295 V N 0.643 120.607 119.914 0.083 0.000 2.295 295 V HA -0.208 3.912 4.120 -0.001 0.000 0.246 295 V C 2.150 178.243 176.094 -0.002 0.000 1.049 295 V CA 2.547 64.824 62.300 -0.038 0.000 1.024 295 V CB -0.496 31.337 31.823 0.016 0.000 0.648 295 V HN 0.498 nan 8.190 nan 0.000 0.447 296 E N -0.205 120.005 120.200 0.018 0.000 2.153 296 E HA -0.164 4.186 4.350 -0.001 0.000 0.194 296 E C 2.011 178.626 176.600 0.026 0.000 0.988 296 E CA 1.263 57.661 56.400 -0.003 0.000 0.811 296 E CB -0.245 29.418 29.700 -0.061 0.000 0.746 296 E HN 0.514 nan 8.360 nan 0.000 0.466 297 L N 0.310 121.567 121.223 0.057 0.000 2.179 297 L HA -0.067 4.273 4.340 -0.001 0.000 0.208 297 L C 2.165 179.010 176.870 -0.042 0.000 1.096 297 L CA 1.341 56.206 54.840 0.040 0.000 0.779 297 L CB -0.548 41.567 42.059 0.093 0.000 0.922 297 L HN 0.171 nan 8.230 nan 0.000 0.443 298 H N 0.039 119.040 119.070 -0.114 0.000 2.357 298 H HA -0.080 4.475 4.556 -0.001 0.000 0.301 298 H C 1.977 177.258 175.328 -0.079 0.000 1.082 298 H CA 1.325 57.287 56.048 -0.143 0.000 1.342 298 H CB 0.393 29.990 29.762 -0.276 0.000 1.389 298 H HN 0.287 nan 8.280 nan 0.000 0.511 299 K N 0.487 120.924 120.400 0.062 0.000 2.281 299 K HA -0.096 4.224 4.320 -0.001 0.000 0.203 299 K C 1.889 178.500 176.600 0.019 0.000 1.046 299 K CA 0.701 57.005 56.287 0.028 0.000 0.938 299 K CB 0.062 32.566 32.500 0.008 0.000 0.737 299 K HN 0.258 nan 8.250 nan 0.000 0.458 300 L N -0.906 120.324 121.223 0.012 0.000 2.591 300 L HA 0.092 4.432 4.340 -0.001 0.000 0.228 300 L C 1.405 178.277 176.870 0.003 0.000 1.133 300 L CA 0.453 55.298 54.840 0.008 0.000 0.880 300 L CB 0.120 42.187 42.059 0.013 0.000 1.033 300 L HN 0.458 nan 8.230 nan 0.000 0.450 301 G N -0.208 108.591 108.800 -0.002 0.000 2.339 301 G HA2 -0.273 3.686 3.960 -0.001 0.000 0.209 301 G HA3 -0.273 3.686 3.960 -0.001 0.000 0.209 301 G C 0.345 175.215 174.900 -0.051 0.000 1.015 301 G CA 0.047 45.144 45.100 -0.006 0.000 0.635 301 G HN 0.058 nan 8.290 nan 0.000 0.499 302 V N 1.795 121.659 119.914 -0.083 0.000 3.061 302 V HA 0.284 4.403 4.120 -0.001 0.000 0.306 302 V C 1.518 177.433 176.094 -0.299 0.000 1.118 302 V CA 1.605 63.833 62.300 -0.120 0.000 1.231 302 V CB 1.208 32.983 31.823 -0.080 0.000 0.956 302 V HN 0.577 nan 8.190 nan 0.000 0.499 303 N N 3.551 122.131 118.700 -0.201 0.000 2.272 303 N HA 0.192 4.931 4.740 -0.001 0.000 0.195 303 N C -0.028 175.361 175.510 -0.201 0.000 1.048 303 N CA 0.483 53.399 53.050 -0.224 0.000 0.912 303 N CB 0.037 38.532 38.487 0.013 0.000 1.096 303 N HN 0.704 nan 8.380 nan 0.000 0.471 304 I N 1.311 121.913 120.570 0.053 0.000 7.634 304 I HA -0.195 3.974 4.170 -0.001 0.000 0.126 304 I C -0.520 175.826 176.117 0.382 0.000 1.842 304 I CA 0.018 61.452 61.300 0.222 0.000 2.040 304 I CB -0.390 37.770 38.000 0.265 0.000 3.684 304 I HN 0.494 nan 8.210 nan 0.000 0.170 305 Q N 2.770 122.752 119.800 0.303 0.000 2.319 305 Q HA 0.264 4.604 4.340 -0.001 0.000 0.202 305 Q C -0.105 176.049 176.000 0.258 0.000 0.896 305 Q CA 0.517 56.496 55.803 0.293 0.000 0.942 305 Q CB 0.743 29.622 28.738 0.236 0.000 1.083 305 Q HN 0.684 nan 8.270 nan 0.000 0.510 306 C N 0.704 120.150 119.300 0.243 0.000 2.369 306 C HA 0.512 4.971 4.460 -0.001 0.000 0.322 306 C C -0.942 174.187 174.990 0.232 0.000 1.258 306 C CA -0.956 58.166 59.018 0.172 0.000 1.487 306 C CB 0.142 27.886 27.740 0.006 0.000 2.165 306 C HN 0.306 nan 8.230 nan 0.000 0.483 307 F N 3.529 123.485 119.950 0.010 0.000 2.366 307 F HA 0.380 4.906 4.527 -0.001 0.000 0.366 307 F C -0.099 175.706 175.800 0.008 0.000 1.096 307 F CA -0.659 57.353 58.000 0.019 0.000 1.060 307 F CB 0.352 39.323 39.000 -0.049 0.000 1.282 307 F HN 0.553 nan 8.300 nan 0.000 0.450 308 D N 4.784 125.056 120.400 -0.212 0.000 2.396 308 D HA 0.168 4.808 4.640 -0.001 0.000 0.225 308 D C 0.995 177.037 176.300 -0.429 0.000 1.121 308 D CA -0.137 53.711 54.000 -0.253 0.000 0.853 308 D CB 1.266 41.954 40.800 -0.187 0.000 1.043 308 D HN 0.367 nan 8.370 nan 0.000 0.500 309 V N 1.814 121.429 119.914 -0.499 0.000 3.510 309 V HA 0.256 4.375 4.120 -0.001 0.000 0.270 309 V C 1.199 176.793 176.094 -0.833 0.000 1.201 309 V CA 0.172 61.959 62.300 -0.855 0.000 1.166 309 V CB -1.287 30.368 31.823 -0.281 0.000 0.825 309 V HN 0.710 nan 8.190 nan 0.000 0.484 310 G N 0.804 109.385 108.800 -0.366 0.000 2.345 310 G HA2 0.156 4.115 3.960 -0.001 0.000 0.205 310 G HA3 0.156 4.115 3.960 -0.001 0.000 0.205 310 G C 0.880 175.823 174.900 0.072 0.000 0.534 310 G CA 0.348 45.412 45.100 -0.060 0.000 0.968 310 G HN 1.777 nan 8.290 nan 0.000 0.330 311 G N 2.071 110.925 108.800 0.090 0.000 2.596 311 G HA2 0.226 4.185 3.960 -0.001 0.000 0.421 311 G HA3 0.226 4.185 3.960 -0.001 0.000 0.421 311 G C 2.125 177.108 174.900 0.139 0.000 1.364 311 G CA 2.362 47.550 45.100 0.147 0.000 0.954 311 G HN 2.876 nan 8.290 nan 0.000 0.524 312 G N -1.639 107.243 108.800 0.137 0.000 2.336 312 G HA2 -0.164 3.796 3.960 -0.001 0.000 0.233 312 G HA3 -0.164 3.796 3.960 -0.001 0.000 0.233 312 G C 0.791 175.746 174.900 0.091 0.000 1.053 312 G CA 0.883 46.022 45.100 0.065 0.000 0.625 312 G HN 1.791 nan 8.290 nan 0.000 0.511 313 L N 2.484 123.706 121.223 -0.002 0.000 2.628 313 L HA 0.483 4.823 4.340 -0.001 0.000 0.274 313 L C 1.254 178.130 176.870 0.009 0.000 1.209 313 L CA 0.484 55.222 54.840 -0.170 0.000 0.930 313 L CB 0.170 41.907 42.059 -0.537 0.000 1.183 313 L HN 0.428 nan 8.230 nan 0.000 0.492 314 G N 4.334 113.179 108.800 0.077 0.000 2.562 314 G HA2 0.499 4.459 3.960 -0.001 0.000 0.275 314 G HA3 0.499 4.459 3.960 -0.001 0.000 0.275 314 G C -1.055 173.790 174.900 -0.092 0.000 1.196 314 G CA -0.539 44.562 45.100 0.003 0.000 0.908 314 G HN 0.515 nan 8.290 nan 0.000 0.524 315 V N 0.673 120.544 119.914 -0.072 0.000 2.531 315 V HA 0.211 4.331 4.120 -0.001 0.000 0.301 315 V C -0.796 175.157 176.094 -0.234 0.000 1.034 315 V CA -0.784 61.391 62.300 -0.208 0.000 0.865 315 V CB 1.814 33.408 31.823 -0.382 0.000 0.995 315 V HN 0.815 nan 8.190 nan 0.000 0.424 316 D N 2.677 122.970 120.400 -0.178 0.000 2.346 316 D HA 0.189 4.829 4.640 -0.001 0.000 0.260 316 D C 0.117 176.342 176.300 -0.124 0.000 1.252 316 D CA 0.501 54.461 54.000 -0.068 0.000 0.895 316 D CB 0.665 41.483 40.800 0.030 0.000 1.097 316 D HN 0.484 nan 8.370 nan 0.000 0.489 317 Y N 2.004 122.278 120.300 -0.044 0.000 2.396 317 Y HA 0.102 4.652 4.550 -0.001 0.000 0.292 317 Y C 2.047 177.846 175.900 -0.168 0.000 1.128 317 Y CA 0.219 58.246 58.100 -0.122 0.000 1.194 317 Y CB 0.174 38.513 38.460 -0.202 0.000 1.124 317 Y HN 0.445 nan 8.280 nan 0.000 0.543 318 E N -0.580 119.655 120.200 0.059 0.000 2.047 318 E HA -0.021 4.328 4.350 -0.001 0.000 0.191 318 E C 1.451 178.104 176.600 0.088 0.000 0.987 318 E CA 1.170 57.577 56.400 0.012 0.000 0.799 318 E CB -0.246 29.456 29.700 0.004 0.000 0.752 318 E HN 0.505 nan 8.360 nan 0.000 0.449 319 G N 0.551 109.452 108.800 0.169 0.000 2.143 319 G HA2 -0.215 3.744 3.960 -0.001 0.000 0.175 319 G HA3 -0.215 3.744 3.960 -0.001 0.000 0.175 319 G C 0.839 175.772 174.900 0.055 0.000 1.004 319 G CA 0.519 45.818 45.100 0.332 0.000 0.671 319 G HN 0.351 nan 8.290 nan 0.000 0.512 320 T N -2.688 111.847 114.554 -0.031 0.000 3.054 320 T HA 0.413 4.762 4.350 -0.001 0.000 0.255 320 T C 1.036 175.671 174.700 -0.109 0.000 1.035 320 T CA 0.754 62.755 62.100 -0.165 0.000 0.941 320 T CB 0.297 69.088 68.868 -0.129 0.000 1.026 320 T HN 0.910 nan 8.240 nan 0.000 0.533 321 R N 1.683 122.172 120.500 -0.019 0.000 3.251 321 R HA -0.161 4.179 4.340 -0.001 0.000 0.249 321 R C 0.044 176.332 176.300 -0.019 0.000 0.949 321 R CA 0.721 56.823 56.100 0.004 0.000 0.645 321 R CB -2.239 28.096 30.300 0.059 0.000 1.065 321 R HN 0.840 nan 8.270 nan 0.000 0.452 322 S N -2.151 113.532 115.700 -0.028 0.000 2.795 322 S HA 0.328 4.798 4.470 -0.001 0.000 0.308 322 S C 0.591 175.183 174.600 -0.012 0.000 1.098 322 S CA -0.619 57.568 58.200 -0.022 0.000 0.934 322 S CB 1.590 64.771 63.200 -0.032 0.000 1.300 322 S HN 0.341 nan 8.310 nan 0.000 0.566 323 Q N 0.248 120.048 119.800 -0.001 0.000 2.222 323 Q HA 0.328 4.667 4.340 -0.001 0.000 0.206 323 Q C 0.139 176.140 176.000 0.002 0.000 0.877 323 Q CA -0.294 55.518 55.803 0.015 0.000 0.958 323 Q CB 0.041 28.795 28.738 0.028 0.000 1.075 323 Q HN 0.653 nan 8.270 nan 0.000 0.483 324 S N 0.520 116.212 115.700 -0.014 0.000 2.629 324 S HA -0.067 4.403 4.470 -0.001 0.000 0.250 324 S C 0.483 175.069 174.600 -0.023 0.000 1.318 324 S CA 0.306 58.491 58.200 -0.025 0.000 0.970 324 S CB 0.334 63.511 63.200 -0.039 0.000 0.996 324 S HN 0.455 nan 8.310 nan 0.000 0.563 325 D N 0.272 120.648 120.400 -0.040 0.000 2.085 325 D HA -0.017 4.623 4.640 -0.001 0.000 0.199 325 D C 0.582 176.853 176.300 -0.048 0.000 0.981 325 D CA 0.926 54.897 54.000 -0.048 0.000 0.834 325 D CB -0.212 40.545 40.800 -0.070 0.000 0.992 325 D HN 0.329 nan 8.370 nan 0.000 0.457 326 C N 1.046 120.309 119.300 -0.061 0.000 2.565 326 C HA 0.718 5.178 4.460 -0.001 0.000 0.451 326 C C 0.163 175.191 174.990 0.063 0.000 1.301 326 C CA -0.682 58.312 59.018 -0.040 0.000 1.638 326 C CB -1.728 25.912 27.740 -0.167 0.000 2.236 326 C HN 0.233 nan 8.230 nan 0.000 0.603 327 S N 0.400 116.124 115.700 0.040 0.000 2.578 327 S HA 0.546 5.015 4.470 -0.001 0.000 0.285 327 S C -0.742 173.837 174.600 -0.034 0.000 1.126 327 S CA -0.392 57.817 58.200 0.015 0.000 0.878 327 S CB 0.881 64.082 63.200 0.001 0.000 1.091 327 S HN 0.745 nan 8.310 nan 0.000 0.450 328 V N 2.447 122.293 119.914 -0.113 0.000 2.732 328 V HA 0.678 4.798 4.120 -0.001 0.000 0.310 328 V C 0.517 176.499 176.094 -0.187 0.000 1.053 328 V CA -0.136 62.021 62.300 -0.238 0.000 0.957 328 V CB 1.516 32.956 31.823 -0.639 0.000 1.018 328 V HN 1.034 nan 8.190 nan 0.000 0.452 329 N N 0.736 119.382 118.700 -0.090 0.000 2.251 329 N HA 0.246 4.986 4.740 -0.001 0.000 0.217 329 N C -0.467 175.107 175.510 0.106 0.000 1.124 329 N CA -0.527 52.537 53.050 0.024 0.000 0.843 329 N CB 0.255 38.793 38.487 0.086 0.000 1.024 329 N HN 0.888 nan 8.380 nan 0.000 0.501 330 Y N -2.252 118.075 120.300 0.044 0.000 2.504 330 Y HA 0.750 5.300 4.550 -0.001 0.000 0.344 330 Y C 0.172 176.102 175.900 0.050 0.000 1.023 330 Y CA -1.601 56.527 58.100 0.047 0.000 1.020 330 Y CB 0.752 39.251 38.460 0.064 0.000 1.282 330 Y HN -0.083 nan 8.280 nan 0.000 0.454 331 G N 2.134 111.037 108.800 0.171 0.000 2.588 331 G HA2 0.305 4.265 3.960 -0.001 0.000 0.281 331 G HA3 0.305 4.265 3.960 -0.001 0.000 0.281 331 G C 0.270 175.279 174.900 0.182 0.000 1.236 331 G CA -0.914 44.252 45.100 0.109 0.000 0.969 331 G HN 0.915 nan 8.290 nan 0.000 0.504 332 L N -0.391 120.901 121.223 0.115 0.000 2.017 332 L HA -0.147 4.192 4.340 -0.001 0.000 0.208 332 L C 2.783 179.698 176.870 0.075 0.000 1.073 332 L CA 1.573 56.482 54.840 0.116 0.000 0.745 332 L CB -0.267 41.846 42.059 0.090 0.000 0.894 332 L HN 0.560 nan 8.230 nan 0.000 0.432 333 N N -0.618 118.099 118.700 0.029 0.000 2.106 333 N HA -0.224 4.516 4.740 -0.001 0.000 0.188 333 N C 1.668 177.142 175.510 -0.059 0.000 1.029 333 N CA 1.152 54.175 53.050 -0.045 0.000 0.848 333 N CB -0.197 38.273 38.487 -0.028 0.000 1.007 333 N HN 0.295 nan 8.380 nan 0.000 0.423 334 E N -0.131 120.076 120.200 0.012 0.000 2.114 334 E HA -0.312 4.038 4.350 -0.001 0.000 0.199 334 E C 1.767 178.353 176.600 -0.023 0.000 1.008 334 E CA 1.175 57.572 56.400 -0.004 0.000 0.810 334 E CB -0.198 29.552 29.700 0.084 0.000 0.739 334 E HN 0.556 nan 8.360 nan 0.000 0.456 335 Y N 0.337 120.595 120.300 -0.071 0.000 2.114 335 Y HA -0.211 4.339 4.550 -0.001 0.000 0.284 335 Y C 2.141 177.884 175.900 -0.262 0.000 1.143 335 Y CA 1.907 59.918 58.100 -0.148 0.000 1.135 335 Y CB -0.535 37.935 38.460 0.017 0.000 0.980 335 Y HN 0.150 nan 8.280 nan 0.000 0.499 336 A N 0.988 123.554 122.820 -0.423 0.000 1.865 336 A HA -0.278 4.042 4.320 -0.001 0.000 0.217 336 A C 2.035 179.302 177.584 -0.528 0.000 1.191 336 A CA 2.127 53.530 52.037 -1.056 0.000 0.623 336 A CB -1.020 17.231 19.000 -1.248 0.000 0.826 336 A HN 0.639 nan 8.150 nan 0.000 0.444 337 N N 0.418 118.942 118.700 -0.294 0.000 2.018 337 N HA -0.193 4.546 4.740 -0.001 0.000 0.196 337 N C 1.523 176.968 175.510 -0.108 0.000 1.043 337 N CA 1.877 54.850 53.050 -0.127 0.000 0.856 337 N CB -0.955 37.356 38.487 -0.294 0.000 1.042 337 N HN 0.655 nan 8.380 nan 0.000 0.423 338 N N 0.370 118.940 118.700 -0.216 0.000 2.091 338 N HA -0.112 4.627 4.740 -0.001 0.000 0.193 338 N C 1.597 177.027 175.510 -0.134 0.000 1.021 338 N CA 1.041 53.981 53.050 -0.183 0.000 0.862 338 N CB -0.043 38.308 38.487 -0.226 0.000 1.018 338 N HN 0.166 nan 8.380 nan 0.000 0.429 339 I N 0.774 121.213 120.570 -0.218 0.000 2.110 339 I HA -0.217 3.953 4.170 -0.001 0.000 0.236 339 I C 2.113 178.183 176.117 -0.079 0.000 1.068 339 I CA 1.248 62.479 61.300 -0.115 0.000 1.333 339 I CB -1.224 36.721 38.000 -0.092 0.000 1.054 339 I HN 0.165 nan 8.210 nan 0.000 0.402 340 I N -0.334 120.156 120.570 -0.134 0.000 2.118 340 I HA -0.363 3.807 4.170 -0.001 0.000 0.241 340 I C 2.744 178.586 176.117 -0.459 0.000 1.070 340 I CA 1.719 62.791 61.300 -0.380 0.000 1.327 340 I CB -0.481 37.316 38.000 -0.338 0.000 1.034 340 I HN 0.362 nan 8.210 nan 0.000 0.405 341 W N 1.153 122.137 121.300 -0.527 0.000 2.321 341 W HA -0.305 4.355 4.660 -0.000 0.000 0.306 341 W C 2.761 179.049 176.519 -0.386 0.000 1.217 341 W CA 1.700 58.699 57.345 -0.577 0.000 1.257 341 W CB -0.318 28.951 29.460 -0.319 0.000 1.145 341 W HN 0.246 nan 8.180 nan 0.000 0.509 342 A N 0.351 123.153 122.820 -0.030 0.000 1.841 342 A HA -0.245 4.074 4.320 -0.001 0.000 0.216 342 A C 1.814 179.329 177.584 -0.115 0.000 1.199 342 A CA 1.981 53.999 52.037 -0.031 0.000 0.621 342 A CB -1.225 17.785 19.000 0.017 0.000 0.835 342 A HN 0.172 nan 8.150 nan 0.000 0.445 343 I N 0.150 120.601 120.570 -0.198 0.000 2.361 343 I HA -0.077 4.093 4.170 -0.001 0.000 0.251 343 I C 2.185 178.169 176.117 -0.222 0.000 1.133 343 I CA 1.291 62.378 61.300 -0.354 0.000 1.413 343 I CB -0.789 36.859 38.000 -0.588 0.000 1.073 343 I HN 0.249 nan 8.210 nan 0.000 0.424 344 G N 0.043 108.663 108.800 -0.299 0.000 2.604 344 G HA2 -0.268 3.692 3.960 -0.001 0.000 0.216 344 G HA3 -0.268 3.692 3.960 -0.001 0.000 0.216 344 G C 1.418 176.264 174.900 -0.090 0.000 1.265 344 G CA 0.987 45.896 45.100 -0.318 0.000 0.804 344 G HN 0.383 nan 8.290 nan 0.000 0.579 345 D N 1.106 121.457 120.400 -0.081 0.000 2.190 345 D HA -0.113 4.526 4.640 -0.001 0.000 0.200 345 D C 2.760 179.084 176.300 0.040 0.000 0.992 345 D CA 1.195 55.234 54.000 0.064 0.000 0.854 345 D CB -0.350 40.501 40.800 0.085 0.000 0.936 345 D HN 0.300 nan 8.370 nan 0.000 0.462 346 A N 0.517 123.337 122.820 -0.000 0.000 1.908 346 A HA -0.203 4.116 4.320 -0.001 0.000 0.218 346 A C 2.602 180.221 177.584 0.059 0.000 1.181 346 A CA 1.380 53.430 52.037 0.023 0.000 0.627 346 A CB -0.892 18.107 19.000 -0.002 0.000 0.818 346 A HN 0.350 nan 8.150 nan 0.000 0.445 347 C N -0.874 118.466 119.300 0.068 0.000 2.462 347 C HA -0.039 4.421 4.460 -0.001 0.000 0.278 347 C C 2.702 177.750 174.990 0.097 0.000 1.253 347 C CA 0.898 59.989 59.018 0.121 0.000 1.713 347 C CB -1.063 26.782 27.740 0.174 0.000 2.049 347 C HN 0.610 nan 8.230 nan 0.000 0.477 348 E N 1.312 121.578 120.200 0.110 0.000 2.068 348 E HA -0.246 4.104 4.350 -0.001 0.000 0.207 348 E C 1.813 178.444 176.600 0.051 0.000 1.032 348 E CA 1.624 58.080 56.400 0.093 0.000 0.839 348 E CB -0.749 29.009 29.700 0.097 0.000 0.758 348 E HN 0.698 nan 8.360 nan 0.000 0.457 349 E N 0.533 120.761 120.200 0.046 0.000 2.068 349 E HA -0.224 4.126 4.350 -0.001 0.000 0.207 349 E C 1.626 178.234 176.600 0.014 0.000 1.032 349 E CA 1.722 58.139 56.400 0.028 0.000 0.839 349 E CB -0.335 29.382 29.700 0.028 0.000 0.758 349 E HN 0.248 nan 8.360 nan 0.000 0.457 350 N N -0.521 118.185 118.700 0.010 0.000 2.449 350 N HA 0.101 4.841 4.740 -0.001 0.000 0.191 350 N C 0.144 175.639 175.510 -0.026 0.000 1.161 350 N CA 0.716 53.759 53.050 -0.011 0.000 0.863 350 N CB 0.890 39.364 38.487 -0.022 0.000 0.980 350 N HN 0.276 nan 8.380 nan 0.000 0.458 351 G N 0.432 109.226 108.800 -0.010 0.000 2.351 351 G HA2 -0.243 3.716 3.960 -0.001 0.000 0.297 351 G HA3 -0.243 3.716 3.960 -0.001 0.000 0.297 351 G C -0.659 174.210 174.900 -0.052 0.000 1.054 351 G CA -0.052 45.035 45.100 -0.022 0.000 1.123 351 G HN 0.148 nan 8.290 nan 0.000 0.512 352 L N 0.965 122.166 121.223 -0.036 0.000 2.319 352 L HA 0.751 5.091 4.340 -0.001 0.000 0.267 352 L C -1.542 175.336 176.870 0.013 0.000 1.011 352 L CA -2.277 52.505 54.840 -0.096 0.000 0.818 352 L CB 1.720 43.667 42.059 -0.187 0.000 1.316 352 L HN 0.087 nan 8.230 nan 0.000 0.432 353 P HA 0.115 nan 4.420 nan 0.000 0.275 353 P C -0.999 176.403 177.300 0.171 0.000 1.228 353 P CA -0.273 62.836 63.100 0.015 0.000 0.786 353 P CB 0.269 31.974 31.700 0.007 0.000 0.927 354 H N 3.454 122.450 119.070 -0.124 0.000 3.017 354 H HA 0.153 4.709 4.556 -0.001 0.000 0.276 354 H C -1.500 173.765 175.328 -0.104 0.000 1.062 354 H CA -1.654 54.217 56.048 -0.296 0.000 1.486 354 H CB 0.029 29.261 29.762 -0.884 0.000 1.507 354 H HN 0.374 nan 8.280 nan 0.000 0.508 355 P HA 0.006 nan 4.420 nan 0.000 0.274 355 P C -0.154 177.309 177.300 0.272 0.000 1.246 355 P CA -0.591 62.614 63.100 0.176 0.000 0.795 355 P CB 0.959 32.661 31.700 0.003 0.000 1.006 356 T N 0.875 115.585 114.554 0.261 0.000 2.853 356 T HA 0.154 4.504 4.350 -0.001 0.000 0.298 356 T C 0.287 175.155 174.700 0.281 0.000 0.978 356 T CA -0.043 62.235 62.100 0.297 0.000 1.152 356 T CB -0.084 68.955 68.868 0.285 0.000 0.914 356 T HN 0.096 nan 8.240 nan 0.000 0.539 357 V N 6.046 126.135 119.914 0.292 0.000 2.383 357 V HA 0.399 4.519 4.120 -0.001 0.000 0.275 357 V C 0.293 176.444 176.094 0.096 0.000 1.036 357 V CA -0.542 61.882 62.300 0.207 0.000 0.889 357 V CB 0.567 32.463 31.823 0.123 0.000 0.985 357 V HN 0.743 nan 8.190 nan 0.000 0.459 358 I N 3.886 124.405 120.570 -0.086 0.000 2.562 358 I HA 0.629 4.799 4.170 -0.001 0.000 0.301 358 I C 0.080 176.052 176.117 -0.242 0.000 1.003 358 I CA -0.224 60.860 61.300 -0.359 0.000 1.127 358 I CB 2.360 40.049 38.000 -0.519 0.000 1.304 358 I HN 0.613 nan 8.210 nan 0.000 0.446 359 T N 3.001 117.412 114.554 -0.238 0.000 2.900 359 T HA 0.394 4.743 4.350 -0.001 0.000 0.303 359 T C -1.042 173.594 174.700 -0.106 0.000 1.142 359 T CA -0.528 61.514 62.100 -0.097 0.000 1.007 359 T CB 1.398 70.309 68.868 0.072 0.000 1.156 359 T HN 0.682 nan 8.240 nan 0.000 0.490 360 E N 2.151 122.323 120.200 -0.048 0.000 3.659 360 E HA 0.256 4.605 4.350 -0.001 0.000 0.217 360 E C -0.503 176.112 176.600 0.024 0.000 1.141 360 E CA -0.366 56.004 56.400 -0.051 0.000 1.340 360 E CB 0.679 30.320 29.700 -0.100 0.000 1.295 360 E HN 0.335 nan 8.360 nan 0.000 0.434 361 S N 1.360 117.106 115.700 0.077 0.000 4.175 361 S HA 0.077 4.547 4.470 -0.001 0.000 0.193 361 S C 1.405 176.077 174.600 0.120 0.000 1.373 361 S CA -0.179 58.083 58.200 0.102 0.000 0.908 361 S CB 0.250 63.520 63.200 0.115 0.000 1.547 361 S HN 0.630 nan 8.310 nan 0.000 0.440 362 G N 2.849 111.694 108.800 0.074 0.000 2.604 362 G HA2 -0.243 3.717 3.960 -0.001 0.000 0.216 362 G HA3 -0.243 3.717 3.960 -0.001 0.000 0.216 362 G C 1.401 176.381 174.900 0.133 0.000 1.265 362 G CA 0.500 45.652 45.100 0.088 0.000 0.804 362 G HN 0.552 nan 8.290 nan 0.000 0.579 363 R N 0.816 121.355 120.500 0.065 0.000 2.153 363 R HA -0.171 4.169 4.340 -0.001 0.000 0.252 363 R C 2.753 179.121 176.300 0.113 0.000 1.158 363 R CA 1.813 57.972 56.100 0.099 0.000 0.975 363 R CB -0.546 29.887 30.300 0.222 0.000 0.871 363 R HN 0.311 nan 8.270 nan 0.000 0.450 364 A N 0.394 123.278 122.820 0.108 0.000 1.917 364 A HA -0.172 4.148 4.320 -0.001 0.000 0.219 364 A C 2.255 179.920 177.584 0.134 0.000 1.182 364 A CA 2.143 54.237 52.037 0.096 0.000 0.633 364 A CB -0.631 18.422 19.000 0.087 0.000 0.819 364 A HN 0.387 nan 8.150 nan 0.000 0.448 365 V N -2.561 117.438 119.914 0.143 0.000 2.599 365 V HA -0.066 4.054 4.120 -0.001 0.000 0.245 365 V C 2.341 178.488 176.094 0.089 0.000 1.046 365 V CA 2.055 64.426 62.300 0.118 0.000 1.065 365 V CB -1.500 30.363 31.823 0.068 0.000 0.703 365 V HN 0.626 nan 8.190 nan 0.000 0.464 366 T N -1.626 112.989 114.554 0.102 0.000 2.978 366 T HA 0.165 4.515 4.350 -0.001 0.000 0.262 366 T C 2.026 176.896 174.700 0.284 0.000 1.063 366 T CA 1.206 63.380 62.100 0.124 0.000 1.140 366 T CB -0.361 68.588 68.868 0.134 0.000 0.886 366 T HN 0.917 nan 8.240 nan 0.000 0.470 367 A N 3.619 126.550 122.820 0.185 0.000 1.900 367 A HA -0.283 4.037 4.320 -0.001 0.000 0.250 367 A C 1.565 179.263 177.584 0.190 0.000 2.132 367 A CA 2.163 54.257 52.037 0.096 0.000 0.861 367 A CB -1.772 17.098 19.000 -0.215 0.000 0.830 367 A HN 0.969 nan 8.150 nan 0.000 0.499 368 H N -2.074 117.106 119.070 0.184 0.000 2.432 368 H HA 0.486 5.042 4.556 -0.001 0.000 0.226 368 H C 0.442 175.908 175.328 0.230 0.000 1.634 368 H CA 0.066 56.263 56.048 0.248 0.000 1.253 368 H CB -0.273 29.709 29.762 0.366 0.000 1.584 368 H HN 0.882 nan 8.280 nan 0.000 0.545 369 H N 0.448 119.670 119.070 0.253 0.000 3.058 369 H HA 0.136 4.692 4.556 -0.001 0.000 0.266 369 H C -0.547 174.939 175.328 0.263 0.000 1.135 369 H CA -0.006 56.144 56.048 0.170 0.000 1.174 369 H CB 1.098 30.882 29.762 0.037 0.000 1.581 369 H HN 0.411 nan 8.280 nan 0.000 0.553 370 T N 0.853 115.261 114.554 -0.243 0.000 2.921 370 T HA 0.541 4.891 4.350 -0.001 0.000 0.297 370 T C -1.411 173.278 174.700 -0.018 0.000 1.013 370 T CA -0.489 61.468 62.100 -0.238 0.000 0.990 370 T CB 1.862 70.407 68.868 -0.538 0.000 1.023 370 T HN 0.041 nan 8.240 nan 0.000 0.447 371 V N 5.890 125.820 119.914 0.026 0.000 2.487 371 V HA 0.513 4.633 4.120 -0.001 0.000 0.298 371 V C -0.194 175.833 176.094 -0.112 0.000 1.028 371 V CA -1.094 61.124 62.300 -0.137 0.000 0.860 371 V CB 1.715 33.424 31.823 -0.190 0.000 0.991 371 V HN 0.846 nan 8.190 nan 0.000 0.427 372 L N 6.296 127.414 121.223 -0.175 0.000 2.305 372 L HA 0.616 4.955 4.340 -0.001 0.000 0.281 372 L C -0.721 176.130 176.870 -0.031 0.000 1.085 372 L CA 0.274 55.047 54.840 -0.112 0.000 0.813 372 L CB 1.540 43.448 42.059 -0.251 0.000 1.157 372 L HN 0.496 nan 8.230 nan 0.000 0.436 373 V N 4.715 124.641 119.914 0.021 0.000 2.588 373 V HA 0.624 4.744 4.120 -0.001 0.000 0.304 373 V C -0.072 176.036 176.094 0.022 0.000 1.042 373 V CA -0.400 61.906 62.300 0.009 0.000 0.877 373 V CB 1.873 33.706 31.823 0.018 0.000 0.996 373 V HN 0.950 nan 8.190 nan 0.000 0.425 374 S N 2.497 118.197 115.700 0.001 0.000 2.776 374 S HA 0.671 5.140 4.470 -0.001 0.000 0.292 374 S C -1.280 173.328 174.600 0.013 0.000 1.187 374 S CA -0.720 57.489 58.200 0.014 0.000 0.834 374 S CB 2.081 65.287 63.200 0.010 0.000 1.199 374 S HN 0.977 nan 8.310 nan 0.000 0.514 375 N N 0.414 119.142 118.700 0.048 0.000 2.457 375 N HA 0.481 5.221 4.740 -0.001 0.000 0.290 375 N C -1.254 174.304 175.510 0.080 0.000 1.232 375 N CA -0.754 52.321 53.050 0.042 0.000 0.852 375 N CB 0.155 38.673 38.487 0.053 0.000 1.313 375 N HN 0.379 nan 8.380 nan 0.000 0.522 376 I N 1.501 122.110 120.570 0.065 0.000 2.337 376 I HA 0.130 4.300 4.170 -0.001 0.000 0.291 376 I C 0.885 177.120 176.117 0.196 0.000 1.046 376 I CA -0.528 60.844 61.300 0.120 0.000 1.324 376 I CB 0.097 38.132 38.000 0.058 0.000 1.409 376 I HN 0.517 nan 8.210 nan 0.000 0.494 377 I N 4.379 125.071 120.570 0.205 0.000 3.578 377 I HA 0.248 4.418 4.170 -0.001 0.000 0.295 377 I C 1.062 177.239 176.117 0.099 0.000 1.280 377 I CA 0.246 61.639 61.300 0.154 0.000 1.347 377 I CB -0.761 37.300 38.000 0.101 0.000 1.051 377 I HN 0.691 nan 8.210 nan 0.000 0.460 378 G N 0.734 109.666 108.800 0.220 0.000 2.442 378 G HA2 0.495 4.455 3.960 -0.001 0.000 0.296 378 G HA3 0.495 4.455 3.960 -0.001 0.000 0.296 378 G C -1.381 173.749 174.900 0.383 0.000 1.564 378 G CA -0.289 44.886 45.100 0.124 0.000 0.828 378 G HN -0.023 nan 8.290 nan 0.000 0.571 379 V N -2.144 117.999 119.914 0.382 0.000 2.962 379 V HA 0.917 5.037 4.120 -0.001 0.000 0.313 379 V C -0.892 175.383 176.094 0.303 0.000 1.099 379 V CA -1.200 61.323 62.300 0.372 0.000 0.971 379 V CB 2.361 34.401 31.823 0.362 0.000 1.028 379 V HN 0.606 nan 8.190 nan 0.000 0.430 380 E N 2.797 123.153 120.200 0.261 0.000 2.546 380 E HA 0.334 4.684 4.350 -0.001 0.000 0.227 380 E C -0.542 176.141 176.600 0.138 0.000 1.009 380 E CA -0.215 56.303 56.400 0.198 0.000 0.813 380 E CB 1.331 31.160 29.700 0.215 0.000 1.269 380 E HN 0.774 nan 8.360 nan 0.000 0.432 381 R N 2.608 123.184 120.500 0.127 0.000 2.404 381 R HA 0.222 4.562 4.340 -0.001 0.000 0.291 381 R C 0.085 176.434 176.300 0.081 0.000 1.025 381 R CA -0.401 55.754 56.100 0.091 0.000 0.991 381 R CB 0.710 31.056 30.300 0.076 0.000 1.053 381 R HN 0.398 nan 8.270 nan 0.000 0.479 382 N N 1.565 120.309 118.700 0.072 0.000 2.482 382 N HA -0.010 4.730 4.740 -0.001 0.000 0.260 382 N C -1.152 174.412 175.510 0.090 0.000 1.236 382 N CA -0.694 52.401 53.050 0.076 0.000 0.938 382 N CB 0.865 39.395 38.487 0.072 0.000 1.128 382 N HN 0.581 nan 8.380 nan 0.000 0.448 383 E N 1.383 121.632 120.200 0.083 0.000 2.063 383 E HA 0.037 4.387 4.350 -0.001 0.000 0.265 383 E C -1.266 175.395 176.600 0.101 0.000 0.919 383 E CA -0.770 55.678 56.400 0.079 0.000 0.756 383 E CB 0.504 30.230 29.700 0.043 0.000 1.120 383 E HN 0.658 nan 8.360 nan 0.000 0.414 384 Y N 3.230 123.508 120.300 -0.036 0.000 2.569 384 Y HA 0.057 4.607 4.550 -0.000 0.000 0.332 384 Y C -0.712 175.116 175.900 -0.119 0.000 1.120 384 Y CA 0.301 58.329 58.100 -0.121 0.000 1.416 384 Y CB 0.750 39.028 38.460 -0.304 0.000 1.210 384 Y HN 0.404 nan 8.280 nan 0.000 0.528 385 T N 6.280 120.610 114.554 -0.374 0.000 2.928 385 T HA 0.217 4.566 4.350 -0.001 0.000 0.296 385 T C -0.879 173.531 174.700 -0.483 0.000 1.000 385 T CA -0.810 61.019 62.100 -0.452 0.000 0.989 385 T CB 1.010 69.754 68.868 -0.207 0.000 1.005 385 T HN 0.597 nan 8.240 nan 0.000 0.442 386 V N 3.148 122.773 119.914 -0.482 0.000 2.475 386 V HA 0.262 4.382 4.120 -0.001 0.000 0.292 386 V C -1.731 174.249 176.094 -0.189 0.000 1.003 386 V CA -1.335 60.812 62.300 -0.254 0.000 1.120 386 V CB -0.890 30.880 31.823 -0.088 0.000 0.937 386 V HN 0.649 nan 8.190 nan 0.000 0.476 387 P HA 0.285 nan 4.420 nan 0.000 0.272 387 P C -0.124 177.256 177.300 0.132 0.000 1.223 387 P CA 0.074 63.053 63.100 -0.202 0.000 0.784 387 P CB 0.955 32.336 31.700 -0.532 0.000 0.923 388 T N -2.116 112.517 114.554 0.132 0.000 2.829 388 T HA 0.629 4.979 4.350 -0.001 0.000 0.280 388 T C 0.228 174.634 174.700 -0.489 0.000 0.999 388 T CA -0.879 61.197 62.100 -0.040 0.000 0.983 388 T CB 1.145 69.998 68.868 -0.026 0.000 0.968 388 T HN 0.556 nan 8.240 nan 0.000 0.446 389 A N 4.839 126.933 122.820 -1.209 0.000 2.624 389 A HA 0.388 4.708 4.320 -0.001 0.000 0.231 389 A C -1.471 175.574 177.584 -0.899 0.000 1.034 389 A CA -0.576 50.437 52.037 -1.706 0.000 0.754 389 A CB -0.787 17.591 19.000 -1.037 0.000 0.953 389 A HN 0.813 nan 8.150 nan 0.000 0.509 390 P HA 0.389 nan 4.420 nan 0.000 0.277 390 P C -0.217 176.740 177.300 -0.572 0.000 1.271 390 P CA -0.136 62.390 63.100 -0.957 0.000 0.795 390 P CB 0.679 31.642 31.700 -1.228 0.000 1.101 391 A N 1.058 123.595 122.820 -0.471 0.000 2.548 391 A HA -0.023 4.297 4.320 -0.001 0.000 0.247 391 A C 1.605 179.053 177.584 -0.226 0.000 1.067 391 A CA 0.094 51.957 52.037 -0.289 0.000 0.757 391 A CB -0.705 18.158 19.000 -0.228 0.000 0.996 391 A HN 0.663 nan 8.150 nan 0.000 0.504 392 E N 1.835 121.931 120.200 -0.173 0.000 2.187 392 E HA -0.220 4.130 4.350 -0.001 0.000 0.199 392 E C -0.137 176.409 176.600 -0.090 0.000 1.004 392 E CA 1.539 57.868 56.400 -0.118 0.000 0.813 392 E CB -0.042 29.607 29.700 -0.086 0.000 0.736 392 E HN 0.600 nan 8.360 nan 0.000 0.468 393 D N 0.904 121.248 120.400 -0.094 0.000 3.163 393 D HA 0.380 5.020 4.640 -0.001 0.000 0.284 393 D C -0.950 175.300 176.300 -0.084 0.000 1.368 393 D CA 0.006 53.962 54.000 -0.073 0.000 0.895 393 D CB 0.706 41.468 40.800 -0.063 0.000 1.061 393 D HN 0.267 nan 8.370 nan 0.000 0.496 394 A N 1.454 124.218 122.820 -0.093 0.000 2.322 394 A HA 0.718 5.037 4.320 -0.001 0.000 0.327 394 A C -2.334 175.230 177.584 -0.033 0.000 1.134 394 A CA -1.240 50.744 52.037 -0.088 0.000 0.831 394 A CB 0.972 19.874 19.000 -0.164 0.000 1.288 394 A HN 0.036 nan 8.150 nan 0.000 0.472 395 P HA -0.046 nan 4.420 nan 0.000 0.269 395 P C 0.563 177.929 177.300 0.110 0.000 1.211 395 P CA -0.136 63.001 63.100 0.061 0.000 0.781 395 P CB 0.478 32.264 31.700 0.142 0.000 0.877 396 R N 1.981 122.547 120.500 0.110 0.000 2.092 396 R HA -0.118 4.222 4.340 -0.001 0.000 0.231 396 R C 1.813 178.212 176.300 0.165 0.000 1.119 396 R CA 1.764 57.935 56.100 0.118 0.000 0.970 396 R CB -1.844 28.515 30.300 0.098 0.000 0.864 396 R HN 0.447 nan 8.270 nan 0.000 0.440 397 A N 1.787 124.739 122.820 0.220 0.000 1.917 397 A HA -0.134 4.185 4.320 -0.001 0.000 0.219 397 A C 2.279 179.990 177.584 0.211 0.000 1.182 397 A CA 1.470 53.634 52.037 0.211 0.000 0.633 397 A CB -0.422 18.724 19.000 0.243 0.000 0.819 397 A HN 0.261 nan 8.150 nan 0.000 0.448 398 L N -1.258 120.109 121.223 0.240 0.000 2.156 398 L HA -0.073 4.267 4.340 -0.001 0.000 0.208 398 L C 2.577 179.630 176.870 0.306 0.000 1.095 398 L CA 1.838 56.858 54.840 0.301 0.000 0.770 398 L CB -0.609 41.530 42.059 0.134 0.000 0.914 398 L HN 0.429 nan 8.230 nan 0.000 0.439 399 Q N -1.394 118.525 119.800 0.198 0.000 2.119 399 Q HA -0.177 4.163 4.340 -0.001 0.000 0.201 399 Q C 2.572 178.738 176.000 0.278 0.000 0.972 399 Q CA 1.720 57.651 55.803 0.213 0.000 0.847 399 Q CB -0.153 28.666 28.738 0.136 0.000 0.903 399 Q HN 0.403 nan 8.270 nan 0.000 0.433 400 S N -0.814 115.023 115.700 0.229 0.000 2.368 400 S HA -0.143 4.327 4.470 -0.001 0.000 0.225 400 S C 1.814 176.550 174.600 0.226 0.000 1.030 400 S CA 1.272 59.593 58.200 0.202 0.000 0.999 400 S CB -0.111 63.189 63.200 0.167 0.000 0.844 400 S HN 0.393 nan 8.310 nan 0.000 0.459 401 M N -0.246 119.517 119.600 0.273 0.000 2.159 401 M HA -0.101 4.378 4.480 -0.001 0.000 0.263 401 M C 2.105 178.592 176.300 0.311 0.000 1.063 401 M CA 1.353 56.809 55.300 0.260 0.000 1.110 401 M CB -0.453 32.298 32.600 0.252 0.000 1.374 401 M HN 0.611 nan 8.290 nan 0.000 0.411 402 W N 1.351 122.820 121.300 0.282 0.000 2.418 402 W HA -0.152 4.508 4.660 -0.000 0.000 0.292 402 W C 1.817 178.476 176.519 0.233 0.000 1.213 402 W CA 1.390 58.914 57.345 0.298 0.000 1.283 402 W CB -0.202 29.464 29.460 0.343 0.000 1.119 402 W HN 0.320 nan 8.180 nan 0.000 0.542 403 E N -0.235 120.099 120.200 0.224 0.000 2.085 403 E HA -0.211 4.139 4.350 -0.001 0.000 0.194 403 E C 1.955 178.534 176.600 -0.034 0.000 0.994 403 E CA 2.295 58.751 56.400 0.093 0.000 0.801 403 E CB -0.125 29.662 29.700 0.144 0.000 0.743 403 E HN 0.038 nan 8.360 nan 0.000 0.453 404 T N 0.543 115.093 114.554 -0.006 0.000 2.904 404 T HA -0.152 4.198 4.350 -0.001 0.000 0.267 404 T C 1.178 175.700 174.700 -0.297 0.000 1.059 404 T CA 0.941 62.965 62.100 -0.126 0.000 1.137 404 T CB -0.325 68.538 68.868 -0.009 0.000 0.879 404 T HN 0.443 nan 8.240 nan 0.000 0.467 405 W N 1.938 122.993 121.300 -0.409 0.000 2.379 405 W HA -0.117 4.543 4.660 -0.001 0.000 0.307 405 W C 1.898 178.100 176.519 -0.529 0.000 1.200 405 W CA 0.973 58.024 57.345 -0.490 0.000 1.297 405 W CB -0.337 28.756 29.460 -0.612 0.000 1.140 405 W HN 0.288 nan 8.180 nan 0.000 0.507 406 Q N 0.250 119.700 119.800 -0.583 0.000 2.124 406 Q HA -0.283 4.057 4.340 -0.001 0.000 0.202 406 Q C 2.176 177.937 176.000 -0.399 0.000 0.977 406 Q CA 2.091 57.569 55.803 -0.542 0.000 0.850 406 Q CB -0.402 28.116 28.738 -0.366 0.000 0.901 406 Q HN 0.430 nan 8.270 nan 0.000 0.429 407 E N 0.144 120.118 120.200 -0.377 0.000 2.204 407 E HA -0.173 4.177 4.350 -0.001 0.000 0.194 407 E C 1.846 178.118 176.600 -0.546 0.000 0.989 407 E CA 0.698 56.903 56.400 -0.325 0.000 0.824 407 E CB 0.095 29.657 29.700 -0.229 0.000 0.756 407 E HN 0.343 nan 8.360 nan 0.000 0.477 408 M N -0.222 118.846 119.600 -0.887 0.000 2.156 408 M HA -0.080 4.400 4.480 -0.001 0.000 0.264 408 M C 0.356 176.295 176.300 -0.601 0.000 1.067 408 M CA 0.951 55.609 55.300 -1.069 0.000 1.131 408 M CB 0.005 31.990 32.600 -1.025 0.000 1.368 408 M HN 0.093 nan 8.290 nan 0.000 0.416 409 H N 0.941 119.631 119.070 -0.635 0.000 2.745 409 H HA 0.441 4.997 4.556 -0.001 0.000 0.235 409 H C -1.015 174.150 175.328 -0.273 0.000 1.815 409 H CA 0.110 55.890 56.048 -0.448 0.000 1.321 409 H CB -0.360 29.067 29.762 -0.558 0.000 1.716 409 H HN 0.215 nan 8.280 nan 0.000 0.546 410 E N 1.574 121.705 120.200 -0.114 0.000 3.097 410 E HA 0.073 4.423 4.350 -0.001 0.000 0.325 410 E C -2.760 173.829 176.600 -0.019 0.000 1.093 410 E CA -1.460 54.907 56.400 -0.054 0.000 0.893 410 E CB 1.064 30.734 29.700 -0.050 0.000 1.209 410 E HN 0.180 nan 8.360 nan 0.000 0.462 411 P HA 0.041 nan 4.420 nan 0.000 0.248 411 P C -0.240 177.078 177.300 0.030 0.000 1.254 411 P CA 0.608 63.714 63.100 0.009 0.000 1.252 411 P CB 0.391 32.092 31.700 0.002 0.000 1.465 412 G N 2.190 111.027 108.800 0.061 0.000 2.844 412 G HA2 0.296 4.255 3.960 -0.001 0.000 0.204 412 G HA3 0.296 4.255 3.960 -0.001 0.000 0.204 412 G C -0.785 174.152 174.900 0.062 0.000 1.815 412 G CA -0.042 45.105 45.100 0.078 0.000 0.739 412 G HN 0.337 nan 8.290 nan 0.000 0.807 413 T N 0.239 114.842 114.554 0.081 0.000 2.807 413 T HA 0.457 4.806 4.350 -0.001 0.000 0.279 413 T C 0.739 175.381 174.700 -0.097 0.000 0.993 413 T CA -0.463 61.615 62.100 -0.037 0.000 0.970 413 T CB 2.773 71.569 68.868 -0.120 0.000 0.950 413 T HN 0.346 nan 8.240 nan 0.000 0.441 414 R N 1.696 122.143 120.500 -0.089 0.000 2.189 414 R HA 0.223 4.563 4.340 -0.001 0.000 0.203 414 R C 2.086 178.292 176.300 -0.157 0.000 1.012 414 R CA 0.500 56.553 56.100 -0.077 0.000 1.015 414 R CB 0.165 30.457 30.300 -0.013 0.000 0.938 414 R HN 0.327 nan 8.270 nan 0.000 0.472 415 R N 0.123 120.525 120.500 -0.164 0.000 2.275 415 R HA 0.024 4.364 4.340 -0.001 0.000 0.199 415 R C 1.242 177.387 176.300 -0.257 0.000 0.989 415 R CA 1.100 57.135 56.100 -0.110 0.000 1.016 415 R CB 0.247 30.502 30.300 -0.074 0.000 0.918 415 R HN 0.198 nan 8.270 nan 0.000 0.473 416 S N 0.353 115.757 115.700 -0.494 0.000 2.720 416 S HA -0.039 4.431 4.470 -0.001 0.000 0.222 416 S C 1.690 175.623 174.600 -1.111 0.000 0.958 416 S CA 0.203 57.964 58.200 -0.732 0.000 0.943 416 S CB -0.577 62.130 63.200 -0.822 0.000 0.779 416 S HN 0.513 nan 8.310 nan 0.000 0.526 417 L N -0.806 119.966 121.223 -0.752 0.000 2.131 417 L HA 0.234 4.574 4.340 -0.001 0.000 0.206 417 L C 2.547 179.254 176.870 -0.273 0.000 1.087 417 L CA 1.134 55.743 54.840 -0.385 0.000 0.767 417 L CB -0.660 41.340 42.059 -0.098 0.000 0.917 417 L HN 0.266 nan 8.230 nan 0.000 0.441 418 R N 0.878 121.163 120.500 -0.358 0.000 2.127 418 R HA -0.230 4.110 4.340 -0.001 0.000 0.238 418 R C 2.227 178.243 176.300 -0.473 0.000 1.134 418 R CA 2.051 57.913 56.100 -0.396 0.000 0.975 418 R CB -0.391 29.705 30.300 -0.340 0.000 0.865 418 R HN 0.690 nan 8.270 nan 0.000 0.447 419 E N -0.996 118.994 120.200 -0.351 0.000 2.051 419 E HA -0.159 4.191 4.350 -0.001 0.000 0.189 419 E C 1.305 177.908 176.600 0.004 0.000 0.979 419 E CA 0.968 57.249 56.400 -0.199 0.000 0.803 419 E CB -0.166 29.419 29.700 -0.191 0.000 0.761 419 E HN 0.404 nan 8.360 nan 0.000 0.451 420 W N 1.035 122.303 121.300 -0.053 0.000 2.331 420 W HA -0.204 4.456 4.660 -0.000 0.000 0.291 420 W C 2.176 178.711 176.519 0.027 0.000 1.214 420 W CA 0.416 57.760 57.345 -0.002 0.000 1.228 420 W CB -0.954 28.496 29.460 -0.017 0.000 1.135 420 W HN 0.251 nan 8.180 nan 0.000 0.537 421 L N -0.153 121.184 121.223 0.190 0.000 2.005 421 L HA -0.211 4.129 4.340 -0.001 0.000 0.207 421 L C 2.192 179.206 176.870 0.240 0.000 1.072 421 L CA 2.174 57.108 54.840 0.157 0.000 0.744 421 L CB -1.429 40.634 42.059 0.007 0.000 0.895 421 L HN 0.119 nan 8.230 nan 0.000 0.433 422 H N -0.756 118.384 119.070 0.118 0.000 2.426 422 H HA -0.190 4.366 4.556 -0.001 0.000 0.298 422 H C 1.749 177.137 175.328 0.100 0.000 1.107 422 H CA 1.045 57.145 56.048 0.086 0.000 1.298 422 H CB 0.334 30.126 29.762 0.049 0.000 1.377 422 H HN 0.426 nan 8.280 nan 0.000 0.519 423 D N -0.069 120.489 120.400 0.264 0.000 2.084 423 D HA -0.101 4.539 4.640 -0.001 0.000 0.196 423 D C 2.325 178.732 176.300 0.179 0.000 0.985 423 D CA 1.011 55.136 54.000 0.209 0.000 0.826 423 D CB -0.378 40.562 40.800 0.234 0.000 0.978 423 D HN 0.125 nan 8.370 nan 0.000 0.456 424 S N 0.414 116.244 115.700 0.216 0.000 2.382 424 S HA -0.169 4.301 4.470 -0.001 0.000 0.228 424 S C 1.912 176.558 174.600 0.076 0.000 1.027 424 S CA 0.897 59.224 58.200 0.211 0.000 0.991 424 S CB -0.166 63.256 63.200 0.371 0.000 0.823 424 S HN 0.314 nan 8.310 nan 0.000 0.469 425 Q N 0.202 120.059 119.800 0.095 0.000 2.050 425 Q HA -0.067 4.273 4.340 -0.001 0.000 0.202 425 Q C 2.241 178.197 176.000 -0.074 0.000 0.980 425 Q CA 1.363 57.108 55.803 -0.096 0.000 0.840 425 Q CB -0.196 28.574 28.738 0.054 0.000 0.898 425 Q HN 0.508 nan 8.270 nan 0.000 0.424 426 M N 0.329 119.939 119.600 0.017 0.000 2.200 426 M HA -0.168 4.311 4.480 -0.001 0.000 0.265 426 M C 0.962 177.297 176.300 0.059 0.000 1.066 426 M CA 1.307 56.633 55.300 0.044 0.000 1.127 426 M CB 0.144 32.777 32.600 0.055 0.000 1.379 426 M HN 0.125 nan 8.290 nan 0.000 0.420 427 D N 0.448 120.870 120.400 0.038 0.000 2.097 427 D HA -0.159 4.481 4.640 -0.001 0.000 0.197 427 D C 1.858 178.112 176.300 -0.077 0.000 0.984 427 D CA 1.112 55.125 54.000 0.022 0.000 0.826 427 D CB -0.413 40.424 40.800 0.063 0.000 0.973 427 D HN 0.297 nan 8.370 nan 0.000 0.460 428 L N 0.891 122.023 121.223 -0.153 0.000 2.079 428 L HA -0.194 4.145 4.340 -0.001 0.000 0.210 428 L C 2.215 178.889 176.870 -0.326 0.000 1.081 428 L CA 1.858 56.498 54.840 -0.333 0.000 0.752 428 L CB -0.877 40.880 42.059 -0.504 0.000 0.896 428 L HN 0.068 nan 8.230 nan 0.000 0.433 429 H N -1.011 117.933 119.070 -0.210 0.000 2.389 429 H HA -0.123 4.433 4.556 -0.000 0.000 0.299 429 H C 1.793 177.105 175.328 -0.027 0.000 1.081 429 H CA 2.106 58.116 56.048 -0.062 0.000 1.345 429 H CB -0.057 29.685 29.762 -0.033 0.000 1.393 429 H HN 0.428 nan 8.280 nan 0.000 0.520 430 D N -0.268 120.092 120.400 -0.067 0.000 2.097 430 D HA -0.115 4.525 4.640 -0.001 0.000 0.197 430 D C 2.181 178.359 176.300 -0.203 0.000 0.984 430 D CA 1.761 55.717 54.000 -0.073 0.000 0.826 430 D CB -0.197 40.622 40.800 0.032 0.000 0.973 430 D HN 0.634 nan 8.370 nan 0.000 0.460 431 I N -2.072 118.226 120.570 -0.452 0.000 2.493 431 I HA -0.125 4.045 4.170 -0.001 0.000 0.254 431 I C 1.849 177.701 176.117 -0.441 0.000 1.160 431 I CA 1.537 62.205 61.300 -1.053 0.000 1.445 431 I CB -0.612 36.769 38.000 -1.033 0.000 1.086 431 I HN 0.096 nan 8.210 nan 0.000 0.433 432 H N 0.177 119.077 119.070 -0.284 0.000 2.276 432 H HA -0.060 4.496 4.556 -0.001 0.000 0.301 432 H C 2.269 177.559 175.328 -0.065 0.000 1.073 432 H CA 1.396 57.347 56.048 -0.161 0.000 1.311 432 H CB 0.156 29.812 29.762 -0.177 0.000 1.379 432 H HN 0.315 nan 8.280 nan 0.000 0.494 433 I N 0.892 121.443 120.570 -0.031 0.000 2.315 433 I HA -0.121 4.048 4.170 -0.001 0.000 0.248 433 I C 2.275 178.449 176.117 0.094 0.000 1.117 433 I CA 1.367 62.643 61.300 -0.040 0.000 1.404 433 I CB -0.964 36.918 38.000 -0.197 0.000 1.071 433 I HN 0.298 nan 8.210 nan 0.000 0.419 434 G N -0.577 108.319 108.800 0.161 0.000 2.443 434 G HA2 -0.336 3.624 3.960 -0.001 0.000 0.219 434 G HA3 -0.336 3.624 3.960 -0.001 0.000 0.219 434 G C 1.618 176.807 174.900 0.483 0.000 1.131 434 G CA 0.702 46.044 45.100 0.405 0.000 0.775 434 G HN 0.515 nan 8.290 nan 0.000 0.547 435 Y N 1.969 122.424 120.300 0.257 0.000 2.242 435 Y HA -0.080 4.469 4.550 -0.001 0.000 0.291 435 Y C 2.884 178.863 175.900 0.131 0.000 1.137 435 Y CA 1.804 60.037 58.100 0.223 0.000 1.181 435 Y CB 0.018 38.563 38.460 0.142 0.000 0.989 435 Y HN 0.201 nan 8.280 nan 0.000 0.527 436 S N -0.592 115.223 115.700 0.190 0.000 2.406 436 S HA -0.139 4.331 4.470 -0.001 0.000 0.228 436 S C 1.943 176.534 174.600 -0.014 0.000 1.020 436 S CA 1.194 59.430 58.200 0.060 0.000 0.965 436 S CB -0.303 62.962 63.200 0.109 0.000 0.798 436 S HN 0.476 nan 8.310 nan 0.000 0.488 437 S N 0.366 116.084 115.700 0.030 0.000 2.507 437 S HA 0.198 4.668 4.470 -0.001 0.000 0.235 437 S C 1.488 176.067 174.600 -0.036 0.000 0.988 437 S CA 0.635 58.841 58.200 0.010 0.000 0.944 437 S CB -0.264 62.963 63.200 0.045 0.000 0.762 437 S HN 0.768 nan 8.310 nan 0.000 0.526 438 G N 1.960 110.711 108.800 -0.081 0.000 2.171 438 G HA2 -0.227 3.733 3.960 -0.001 0.000 0.238 438 G HA3 -0.227 3.733 3.960 -0.001 0.000 0.238 438 G C 0.308 175.144 174.900 -0.106 0.000 1.039 438 G CA 0.266 45.289 45.100 -0.127 0.000 0.759 438 G HN 0.767 nan 8.290 nan 0.000 0.501 439 I N -3.931 116.588 120.570 -0.085 0.000 3.658 439 I HA 0.766 4.935 4.170 -0.001 0.000 0.328 439 I C -0.517 175.308 176.117 -0.485 0.000 1.567 439 I CA -0.861 60.298 61.300 -0.236 0.000 1.078 439 I CB 0.192 38.038 38.000 -0.256 0.000 1.267 439 I HN -0.060 nan 8.210 nan 0.000 0.495 440 F N 1.033 120.980 119.950 -0.004 0.000 2.622 440 F HA 0.404 4.931 4.527 -0.001 0.000 0.318 440 F C 0.238 176.100 175.800 0.104 0.000 1.135 440 F CA -0.757 57.288 58.000 0.075 0.000 1.015 440 F CB 2.053 41.153 39.000 0.165 0.000 1.275 440 F HN 0.114 nan 8.300 nan 0.000 0.457 441 S N 2.699 118.578 115.700 0.299 0.000 2.601 441 S HA 0.344 4.813 4.470 -0.001 0.000 0.271 441 S C 0.950 175.769 174.600 0.366 0.000 1.305 441 S CA -0.742 57.602 58.200 0.240 0.000 1.022 441 S CB 1.377 64.655 63.200 0.131 0.000 0.940 441 S HN 0.780 nan 8.310 nan 0.000 0.525 442 L N 1.591 123.049 121.223 0.392 0.000 2.081 442 L HA -0.147 4.192 4.340 -0.001 0.000 0.212 442 L C 2.381 179.362 176.870 0.184 0.000 1.080 442 L CA 2.001 57.047 54.840 0.343 0.000 0.754 442 L CB -1.008 41.212 42.059 0.269 0.000 0.893 442 L HN 0.813 nan 8.230 nan 0.000 0.433 443 Q N -0.111 119.783 119.800 0.157 0.000 2.124 443 Q HA -0.186 4.154 4.340 -0.001 0.000 0.202 443 Q C 2.158 178.253 176.000 0.159 0.000 0.977 443 Q CA 2.034 57.910 55.803 0.122 0.000 0.850 443 Q CB -0.239 28.544 28.738 0.074 0.000 0.901 443 Q HN 0.647 nan 8.270 nan 0.000 0.429 444 E N -0.066 120.242 120.200 0.180 0.000 2.072 444 E HA -0.150 4.200 4.350 -0.001 0.000 0.190 444 E C 2.014 178.750 176.600 0.227 0.000 0.982 444 E CA 0.755 57.284 56.400 0.214 0.000 0.803 444 E CB -0.110 29.752 29.700 0.270 0.000 0.755 444 E HN 0.231 nan 8.360 nan 0.000 0.453 445 R N 1.034 121.633 120.500 0.165 0.000 2.073 445 R HA -0.127 4.213 4.340 -0.001 0.000 0.234 445 R C 2.239 178.558 176.300 0.032 0.000 1.134 445 R CA 1.432 57.550 56.100 0.031 0.000 0.952 445 R CB -0.252 29.982 30.300 -0.111 0.000 0.850 445 R HN 0.141 nan 8.270 nan 0.000 0.433 446 A N 0.023 122.885 122.820 0.069 0.000 1.972 446 A HA -0.197 4.123 4.320 -0.001 0.000 0.219 446 A C 1.866 179.504 177.584 0.090 0.000 1.169 446 A CA 1.263 53.337 52.037 0.062 0.000 0.635 446 A CB -0.914 18.130 19.000 0.072 0.000 0.810 446 A HN 0.746 nan 8.150 nan 0.000 0.446 447 W N 0.419 121.703 121.300 -0.027 0.000 2.408 447 W HA -0.005 4.655 4.660 -0.001 0.000 0.311 447 W C 2.498 178.995 176.519 -0.037 0.000 1.190 447 W CA 1.990 59.315 57.345 -0.034 0.000 1.321 447 W CB -0.324 29.117 29.460 -0.032 0.000 1.143 447 W HN 0.320 nan 8.180 nan 0.000 0.501 448 A N 0.481 123.376 122.820 0.126 0.000 1.883 448 A HA -0.278 4.041 4.320 -0.001 0.000 0.217 448 A C 1.800 179.267 177.584 -0.196 0.000 1.186 448 A CA 2.157 54.139 52.037 -0.092 0.000 0.624 448 A CB -1.066 17.925 19.000 -0.015 0.000 0.822 448 A HN 0.495 nan 8.150 nan 0.000 0.444 449 E N -0.762 119.358 120.200 -0.133 0.000 2.097 449 E HA -0.239 4.110 4.350 -0.001 0.000 0.196 449 E C 2.316 178.884 176.600 -0.054 0.000 1.000 449 E CA 1.402 57.761 56.400 -0.069 0.000 0.804 449 E CB -0.148 29.543 29.700 -0.016 0.000 0.740 449 E HN 0.545 nan 8.360 nan 0.000 0.454 450 Q N 0.343 120.054 119.800 -0.149 0.000 2.119 450 Q HA -0.098 4.242 4.340 -0.001 0.000 0.201 450 Q C 2.349 178.183 176.000 -0.278 0.000 0.972 450 Q CA 0.746 56.441 55.803 -0.180 0.000 0.847 450 Q CB -0.374 28.243 28.738 -0.202 0.000 0.903 450 Q HN 0.327 nan 8.270 nan 0.000 0.433 451 L N -0.178 120.751 121.223 -0.491 0.000 2.083 451 L HA -0.216 4.124 4.340 -0.001 0.000 0.209 451 L C 2.395 179.126 176.870 -0.231 0.000 1.083 451 L CA 1.397 55.908 54.840 -0.549 0.000 0.752 451 L CB -0.350 41.203 42.059 -0.844 0.000 0.899 451 L HN 0.141 nan 8.230 nan 0.000 0.433 452 Y N 0.120 120.278 120.300 -0.236 0.000 2.181 452 Y HA -0.233 4.317 4.550 -0.001 0.000 0.288 452 Y C 2.136 178.002 175.900 -0.057 0.000 1.146 452 Y CA 1.759 59.793 58.100 -0.109 0.000 1.164 452 Y CB -0.264 38.140 38.460 -0.094 0.000 0.982 452 Y HN 0.122 nan 8.280 nan 0.000 0.515 453 L N -0.882 120.283 121.223 -0.096 0.000 2.191 453 L HA -0.207 4.133 4.340 -0.001 0.000 0.212 453 L C 2.333 179.137 176.870 -0.110 0.000 1.103 453 L CA 1.401 56.159 54.840 -0.138 0.000 0.769 453 L CB -0.533 41.516 42.059 -0.016 0.000 0.908 453 L HN 0.180 nan 8.230 nan 0.000 0.438 454 S N -0.912 114.744 115.700 -0.074 0.000 2.395 454 S HA -0.052 4.418 4.470 -0.001 0.000 0.225 454 S C 1.994 176.631 174.600 0.062 0.000 1.027 454 S CA 0.744 58.964 58.200 0.032 0.000 0.965 454 S CB -0.031 63.172 63.200 0.006 0.000 0.812 454 S HN 0.250 nan 8.310 nan 0.000 0.482 455 M N 1.201 120.814 119.600 0.023 0.000 2.149 455 M HA -0.118 4.362 4.480 -0.001 0.000 0.261 455 M C 2.225 178.494 176.300 -0.052 0.000 1.064 455 M CA 1.123 56.475 55.300 0.086 0.000 1.102 455 M CB -1.598 31.020 32.600 0.029 0.000 1.369 455 M HN 0.402 nan 8.290 nan 0.000 0.408 456 C N -1.307 117.862 119.300 -0.218 0.000 2.489 456 C HA -0.132 4.328 4.460 -0.001 0.000 0.279 456 C C 2.781 177.686 174.990 -0.142 0.000 1.266 456 C CA 0.686 59.569 59.018 -0.226 0.000 1.707 456 C CB -1.413 26.128 27.740 -0.333 0.000 2.059 456 C HN 0.558 nan 8.230 nan 0.000 0.481 457 H N 1.227 120.138 119.070 -0.266 0.000 2.426 457 H HA -0.121 4.435 4.556 -0.001 0.000 0.298 457 H C 1.970 177.115 175.328 -0.305 0.000 1.107 457 H CA 1.668 57.509 56.048 -0.346 0.000 1.298 457 H CB -0.062 29.309 29.762 -0.653 0.000 1.377 457 H HN 0.498 nan 8.280 nan 0.000 0.519 458 E N -0.077 120.118 120.200 -0.010 0.000 2.060 458 E HA -0.046 4.304 4.350 -0.001 0.000 0.189 458 E C 2.650 179.226 176.600 -0.040 0.000 0.974 458 E CA 0.693 57.095 56.400 0.004 0.000 0.808 458 E CB -0.216 29.508 29.700 0.040 0.000 0.768 458 E HN 0.299 nan 8.360 nan 0.000 0.453 459 V N 1.632 121.526 119.914 -0.034 0.000 2.626 459 V HA -0.218 3.902 4.120 -0.001 0.000 0.252 459 V C 2.528 178.586 176.094 -0.061 0.000 1.067 459 V CA 1.594 63.880 62.300 -0.023 0.000 1.081 459 V CB -0.477 31.340 31.823 -0.011 0.000 0.686 459 V HN 0.265 nan 8.190 nan 0.000 0.468 460 Q N -0.094 119.644 119.800 -0.104 0.000 2.291 460 Q HA -0.211 4.129 4.340 -0.001 0.000 0.205 460 Q C 2.160 178.093 176.000 -0.112 0.000 0.970 460 Q CA 1.391 57.119 55.803 -0.125 0.000 0.876 460 Q CB 0.085 28.709 28.738 -0.190 0.000 0.935 460 Q HN 0.645 nan 8.270 nan 0.000 0.455 461 K N -0.295 120.042 120.400 -0.106 0.000 2.021 461 K HA -0.079 4.240 4.320 -0.001 0.000 0.205 461 K C 2.159 178.736 176.600 -0.038 0.000 1.047 461 K CA 1.213 57.454 56.287 -0.077 0.000 0.943 461 K CB 0.007 32.472 32.500 -0.058 0.000 0.725 461 K HN 0.215 nan 8.250 nan 0.000 0.439 462 Q N 0.777 120.563 119.800 -0.023 0.000 2.124 462 Q HA -0.105 4.235 4.340 -0.001 0.000 0.202 462 Q C 0.309 176.336 176.000 0.046 0.000 0.977 462 Q CA 0.322 56.130 55.803 0.007 0.000 0.850 462 Q CB -0.318 28.435 28.738 0.025 0.000 0.901 462 Q HN 0.112 nan 8.270 nan 0.000 0.429 463 L N 2.382 123.641 121.223 0.059 0.000 2.667 463 L HA -0.158 4.182 4.340 -0.001 0.000 0.296 463 L C -0.168 176.781 176.870 0.131 0.000 1.252 463 L CA 1.150 56.084 54.840 0.158 0.000 0.891 463 L CB 0.050 42.135 42.059 0.043 0.000 1.141 463 L HN 0.059 nan 8.230 nan 0.000 0.501 464 D N 5.772 126.276 120.400 0.172 0.000 2.381 464 D HA 0.341 4.980 4.640 -0.001 0.000 0.235 464 D C -1.647 174.643 176.300 -0.018 0.000 1.068 464 D CA -1.692 52.285 54.000 -0.038 0.000 0.832 464 D CB 1.494 42.160 40.800 -0.222 0.000 1.101 464 D HN 0.297 nan 8.370 nan 0.000 0.515 465 P HA -0.191 nan 4.420 nan 0.000 0.222 465 P C 1.002 178.286 177.300 -0.026 0.000 1.147 465 P CA 0.854 63.947 63.100 -0.012 0.000 0.790 465 P CB 0.416 32.104 31.700 -0.020 0.000 0.780 466 Q N 0.341 120.111 119.800 -0.050 0.000 2.354 466 Q HA -0.005 4.335 4.340 -0.001 0.000 0.203 466 Q C 0.670 176.628 176.000 -0.069 0.000 0.933 466 Q CA 0.036 55.806 55.803 -0.055 0.000 0.901 466 Q CB -0.198 28.504 28.738 -0.060 0.000 1.007 466 Q HN 0.292 nan 8.270 nan 0.000 0.495 467 N N 0.722 119.356 118.700 -0.110 0.000 2.475 467 N HA -0.025 4.714 4.740 -0.001 0.000 0.267 467 N C 0.962 176.451 175.510 -0.035 0.000 1.169 467 N CA -0.172 52.795 53.050 -0.140 0.000 0.947 467 N CB 0.731 38.981 38.487 -0.395 0.000 1.061 467 N HN 0.096 nan 8.380 nan 0.000 0.466 468 R N 3.557 124.044 120.500 -0.021 0.000 2.120 468 R HA -0.126 4.214 4.340 -0.001 0.000 0.234 468 R C 1.381 177.706 176.300 0.042 0.000 1.123 468 R CA 1.761 57.865 56.100 0.007 0.000 0.975 468 R CB -0.139 30.158 30.300 -0.005 0.000 0.866 468 R HN 0.673 nan 8.270 nan 0.000 0.446 469 A N -0.713 122.155 122.820 0.079 0.000 2.238 469 A HA -0.013 4.307 4.320 -0.001 0.000 0.208 469 A C 0.712 178.399 177.584 0.171 0.000 1.177 469 A CA 0.668 52.773 52.037 0.113 0.000 0.804 469 A CB -0.248 18.819 19.000 0.111 0.000 0.823 469 A HN 0.424 nan 8.150 nan 0.000 0.482 470 H N -1.358 117.685 119.070 -0.045 0.000 2.705 470 H HA 0.255 4.811 4.556 -0.001 0.000 0.269 470 H C 1.970 177.275 175.328 -0.039 0.000 0.998 470 H CA 0.257 56.276 56.048 -0.048 0.000 1.193 470 H CB 0.243 29.974 29.762 -0.053 0.000 1.485 470 H HN 0.424 nan 8.280 nan 0.000 0.521 471 R N 0.463 121.006 120.500 0.072 0.000 2.100 471 R HA 0.013 4.353 4.340 -0.001 0.000 0.220 471 R C -0.755 175.550 176.300 0.007 0.000 1.091 471 R CA 0.765 56.881 56.100 0.027 0.000 0.986 471 R CB -0.719 29.590 30.300 0.016 0.000 0.888 471 R HN 0.298 nan 8.270 nan 0.000 0.444 472 P HA -0.121 nan 4.420 nan 0.000 0.226 472 P C 1.093 178.389 177.300 -0.005 0.000 1.153 472 P CA 1.327 64.428 63.100 0.002 0.000 0.777 472 P CB 0.148 31.853 31.700 0.008 0.000 0.794 473 I N -1.186 119.368 120.570 -0.026 0.000 2.927 473 I HA -0.058 4.112 4.170 -0.001 0.000 0.268 473 I C 2.305 178.398 176.117 -0.039 0.000 1.153 473 I CA 0.206 61.480 61.300 -0.043 0.000 1.459 473 I CB -0.244 37.692 38.000 -0.106 0.000 1.149 473 I HN -0.199 nan 8.210 nan 0.000 0.443 474 I N 1.626 122.175 120.570 -0.034 0.000 2.399 474 I HA -0.326 3.843 4.170 -0.001 0.000 0.254 474 I C 1.470 177.570 176.117 -0.028 0.000 1.146 474 I CA 2.010 63.291 61.300 -0.031 0.000 1.412 474 I CB -0.343 37.649 38.000 -0.014 0.000 1.076 474 I HN 0.162 nan 8.210 nan 0.000 0.432 475 D N -0.693 119.697 120.400 -0.017 0.000 2.271 475 D HA -0.131 4.509 4.640 -0.001 0.000 0.206 475 D C 2.052 178.350 176.300 -0.004 0.000 0.967 475 D CA 0.731 54.724 54.000 -0.011 0.000 0.867 475 D CB 0.017 40.814 40.800 -0.005 0.000 0.960 475 D HN 0.374 nan 8.370 nan 0.000 0.509 476 E N 0.465 120.664 120.200 -0.001 0.000 2.152 476 E HA -0.063 4.287 4.350 -0.001 0.000 0.192 476 E C 1.690 178.293 176.600 0.005 0.000 0.983 476 E CA 0.906 57.314 56.400 0.013 0.000 0.818 476 E CB -0.248 29.466 29.700 0.024 0.000 0.758 476 E HN 0.271 nan 8.360 nan 0.000 0.467 477 L N 0.109 121.320 121.223 -0.020 0.000 2.179 477 L HA -0.031 4.308 4.340 -0.001 0.000 0.208 477 L C 2.608 179.453 176.870 -0.042 0.000 1.096 477 L CA 0.908 55.724 54.840 -0.041 0.000 0.779 477 L CB -0.377 41.639 42.059 -0.071 0.000 0.922 477 L HN 0.192 nan 8.230 nan 0.000 0.443 478 Q N -0.147 119.630 119.800 -0.037 0.000 2.234 478 Q HA -0.199 4.141 4.340 -0.001 0.000 0.206 478 Q C 1.945 177.932 176.000 -0.022 0.000 0.980 478 Q CA 1.129 56.910 55.803 -0.038 0.000 0.869 478 Q CB 0.092 28.809 28.738 -0.034 0.000 0.912 478 Q HN 0.525 nan 8.270 nan 0.000 0.436 479 E N 0.508 120.705 120.200 -0.005 0.000 2.021 479 E HA -0.128 4.221 4.350 -0.001 0.000 0.189 479 E C 1.362 177.972 176.600 0.017 0.000 0.980 479 E CA 0.645 57.052 56.400 0.012 0.000 0.803 479 E CB -0.174 29.544 29.700 0.028 0.000 0.766 479 E HN 0.104 nan 8.360 nan 0.000 0.449 480 R N 0.111 120.623 120.500 0.021 0.000 2.849 480 R HA 0.070 4.409 4.340 -0.001 0.000 0.238 480 R C 1.012 177.313 176.300 0.002 0.000 1.403 480 R CA 0.205 56.325 56.100 0.032 0.000 1.303 480 R CB -0.178 30.158 30.300 0.060 0.000 1.191 480 R HN 0.029 nan 8.270 nan 0.000 0.533 481 M N -1.650 117.945 119.600 -0.010 0.000 2.622 481 M HA 0.337 4.816 4.480 -0.001 0.000 0.456 481 M C -0.897 175.392 176.300 -0.017 0.000 1.168 481 M CA -0.061 55.224 55.300 -0.025 0.000 0.930 481 M CB 1.132 33.692 32.600 -0.066 0.000 1.919 481 M HN 0.086 nan 8.290 nan 0.000 0.640 482 A N 0.617 123.433 122.820 -0.007 0.000 2.322 482 A HA 0.539 4.859 4.320 -0.001 0.000 0.269 482 A C -0.515 177.078 177.584 0.015 0.000 1.094 482 A CA -0.273 51.761 52.037 -0.005 0.000 0.807 482 A CB 0.228 19.220 19.000 -0.014 0.000 1.047 482 A HN 0.364 nan 8.150 nan 0.000 0.487 483 D N 0.503 120.922 120.400 0.031 0.000 2.341 483 D HA 0.284 4.923 4.640 -0.001 0.000 0.245 483 D C -0.121 176.203 176.300 0.040 0.000 1.106 483 D CA 0.414 54.453 54.000 0.066 0.000 0.905 483 D CB 0.900 41.782 40.800 0.136 0.000 1.202 483 D HN 0.447 nan 8.370 nan 0.000 0.426 484 K N 2.851 123.274 120.400 0.039 0.000 2.473 484 K HA 0.288 4.608 4.320 -0.001 0.000 0.246 484 K C -0.544 176.005 176.600 -0.085 0.000 1.011 484 K CA -0.506 55.748 56.287 -0.055 0.000 0.984 484 K CB 0.299 32.763 32.500 -0.061 0.000 1.250 484 K HN 0.440 nan 8.250 nan 0.000 0.454 485 M N 1.803 121.352 119.600 -0.085 0.000 2.423 485 M HA 0.383 4.863 4.480 -0.001 0.000 0.335 485 M C -1.211 175.017 176.300 -0.120 0.000 1.177 485 M CA -0.815 54.488 55.300 0.005 0.000 1.038 485 M CB 0.927 33.564 32.600 0.061 0.000 1.641 485 M HN 0.206 nan 8.290 nan 0.000 0.455 486 Y N 1.238 121.603 120.300 0.109 0.000 2.356 486 Y HA 0.529 5.079 4.550 -0.000 0.000 0.334 486 Y C -0.243 175.742 175.900 0.140 0.000 0.958 486 Y CA -1.019 57.148 58.100 0.111 0.000 1.196 486 Y CB 1.124 39.627 38.460 0.072 0.000 1.137 486 Y HN 0.452 nan 8.280 nan 0.000 0.485 487 V N 2.425 122.538 119.914 0.331 0.000 2.607 487 V HA 0.087 4.207 4.120 -0.001 0.000 0.289 487 V C 0.466 176.801 176.094 0.402 0.000 1.053 487 V CA -0.943 61.577 62.300 0.366 0.000 0.996 487 V CB 1.265 33.370 31.823 0.470 0.000 0.995 487 V HN 0.695 nan 8.190 nan 0.000 0.476 488 N N 4.163 123.044 118.700 0.301 0.000 3.103 488 N HA 0.263 5.002 4.740 -0.001 0.000 0.305 488 N C -0.829 174.862 175.510 0.301 0.000 1.232 488 N CA -0.080 53.111 53.050 0.236 0.000 1.190 488 N CB -0.671 37.919 38.487 0.172 0.000 1.461 488 N HN 0.576 nan 8.380 nan 0.000 0.538 489 F N -1.697 118.226 119.950 -0.045 0.000 2.877 489 F HA 0.551 5.078 4.527 -0.001 0.000 0.319 489 F C -1.066 174.650 175.800 -0.140 0.000 1.174 489 F CA -1.593 56.355 58.000 -0.087 0.000 0.903 489 F CB 0.671 39.529 39.000 -0.237 0.000 1.357 489 F HN -0.110 nan 8.300 nan 0.000 0.472 490 S N 1.786 117.216 115.700 -0.450 0.000 2.640 490 S HA 0.424 4.893 4.470 -0.001 0.000 0.320 490 S C 0.433 174.718 174.600 -0.525 0.000 1.097 490 S CA -0.568 57.294 58.200 -0.563 0.000 1.092 490 S CB 0.842 63.902 63.200 -0.233 0.000 0.988 490 S HN 0.916 nan 8.310 nan 0.000 0.470 491 L N 5.622 126.367 121.223 -0.798 0.000 2.129 491 L HA 0.065 4.405 4.340 -0.001 0.000 0.212 491 L C 1.181 177.767 176.870 -0.474 0.000 1.087 491 L CA 2.124 56.614 54.840 -0.583 0.000 0.757 491 L CB -0.686 40.944 42.059 -0.715 0.000 0.896 491 L HN 0.801 nan 8.230 nan 0.000 0.434 492 F N -1.424 118.357 119.950 -0.283 0.000 2.661 492 F HA 0.000 4.527 4.527 -0.001 0.000 0.298 492 F C 2.455 178.188 175.800 -0.112 0.000 1.137 492 F CA 0.811 58.676 58.000 -0.225 0.000 1.454 492 F CB -0.429 38.377 39.000 -0.324 0.000 1.103 492 F HN 0.243 nan 8.300 nan 0.000 0.577 493 Q N -0.288 119.554 119.800 0.069 0.000 2.390 493 Q HA 0.059 4.398 4.340 -0.001 0.000 0.216 493 Q C 1.863 177.887 176.000 0.039 0.000 0.916 493 Q CA 1.295 57.145 55.803 0.079 0.000 0.911 493 Q CB 0.012 28.827 28.738 0.129 0.000 1.035 493 Q HN 0.106 nan 8.270 nan 0.000 0.541 494 S N -0.510 115.185 115.700 -0.008 0.000 2.475 494 S HA 0.259 4.729 4.470 -0.001 0.000 0.224 494 S C 0.580 175.091 174.600 -0.148 0.000 1.042 494 S CA 0.405 58.563 58.200 -0.069 0.000 0.935 494 S CB 0.394 63.548 63.200 -0.077 0.000 0.801 494 S HN 0.349 nan 8.310 nan 0.000 0.509 495 M N 1.564 121.078 119.600 -0.144 0.000 3.287 495 M HA 0.236 4.715 4.480 -0.001 0.000 0.336 495 M C -2.288 174.016 176.300 0.006 0.000 1.573 495 M CA -1.519 53.682 55.300 -0.165 0.000 0.609 495 M CB 1.707 34.115 32.600 -0.319 0.000 1.421 495 M HN -0.049 nan 8.290 nan 0.000 0.476 496 P HA -0.200 nan 4.420 nan 0.000 0.216 496 P C 0.620 178.054 177.300 0.223 0.000 1.150 496 P CA 1.562 64.755 63.100 0.154 0.000 0.843 496 P CB 0.245 32.056 31.700 0.184 0.000 0.787 497 D N -0.040 120.487 120.400 0.212 0.000 2.311 497 D HA -0.078 4.562 4.640 -0.001 0.000 0.212 497 D C 1.934 178.315 176.300 0.135 0.000 0.972 497 D CA 1.096 55.200 54.000 0.173 0.000 0.887 497 D CB -0.587 40.335 40.800 0.203 0.000 0.915 497 D HN 0.152 nan 8.370 nan 0.000 0.497 498 A N -1.233 121.718 122.820 0.218 0.000 2.206 498 A HA -0.018 4.302 4.320 -0.001 0.000 0.211 498 A C 1.764 179.398 177.584 0.083 0.000 1.158 498 A CA 0.342 52.459 52.037 0.134 0.000 0.761 498 A CB -0.520 18.608 19.000 0.214 0.000 0.801 498 A HN 0.403 nan 8.150 nan 0.000 0.473 499 W N -0.345 120.895 121.300 -0.100 0.000 2.846 499 W HA 0.238 4.898 4.660 -0.000 0.000 0.273 499 W C 2.000 178.494 176.519 -0.042 0.000 1.081 499 W CA 0.976 58.256 57.345 -0.108 0.000 1.692 499 W CB -0.492 28.891 29.460 -0.128 0.000 1.106 499 W HN 0.151 nan 8.180 nan 0.000 0.577 500 G N 1.198 109.887 108.800 -0.184 0.000 2.443 500 G HA2 0.012 3.971 3.960 -0.001 0.000 0.219 500 G HA3 0.012 3.971 3.960 -0.001 0.000 0.219 500 G C 0.370 175.104 174.900 -0.277 0.000 1.131 500 G CA 0.936 45.794 45.100 -0.405 0.000 0.775 500 G HN 0.178 nan 8.290 nan 0.000 0.547 501 I N -1.001 119.466 120.570 -0.173 0.000 2.865 501 I HA 0.257 4.427 4.170 -0.001 0.000 0.302 501 I C -1.378 174.654 176.117 -0.141 0.000 1.140 501 I CA -1.046 60.159 61.300 -0.158 0.000 1.021 501 I CB 2.475 40.384 38.000 -0.152 0.000 1.233 501 I HN -0.335 nan 8.210 nan 0.000 0.427 502 D N 3.550 123.870 120.400 -0.133 0.000 2.671 502 D HA 0.040 4.680 4.640 -0.001 0.000 0.228 502 D C -0.026 176.164 176.300 -0.183 0.000 1.102 502 D CA 0.192 54.121 54.000 -0.118 0.000 1.044 502 D CB -0.029 40.741 40.800 -0.050 0.000 1.113 502 D HN 0.219 nan 8.370 nan 0.000 0.480 503 Q N 1.487 121.138 119.800 -0.249 0.000 2.281 503 Q HA 0.075 4.415 4.340 -0.001 0.000 0.267 503 Q C -0.330 175.290 176.000 -0.634 0.000 1.053 503 Q CA -0.229 55.269 55.803 -0.510 0.000 0.905 503 Q CB 0.869 29.269 28.738 -0.563 0.000 1.195 503 Q HN 0.298 nan 8.270 nan 0.000 0.398 504 L N 5.398 126.236 121.223 -0.642 0.000 2.290 504 L HA 0.376 4.715 4.340 -0.001 0.000 0.284 504 L C -0.815 175.675 176.870 -0.634 0.000 1.078 504 L CA 0.151 54.720 54.840 -0.451 0.000 0.815 504 L CB -0.063 41.847 42.059 -0.247 0.000 1.162 504 L HN 0.537 nan 8.230 nan 0.000 0.435 505 F N 5.615 125.510 119.950 -0.092 0.000 2.529 505 F HA 0.408 4.935 4.527 -0.000 0.000 0.320 505 F C -1.748 173.986 175.800 -0.109 0.000 1.118 505 F CA -1.905 56.061 58.000 -0.056 0.000 0.915 505 F CB 1.896 40.904 39.000 0.014 0.000 1.161 505 F HN 0.409 nan 8.300 nan 0.000 0.445 506 P HA 0.094 nan 4.420 nan 0.000 0.270 506 P C -0.871 176.377 177.300 -0.086 0.000 1.242 506 P CA 0.117 63.054 63.100 -0.273 0.000 0.768 506 P CB 1.097 32.161 31.700 -1.059 0.000 0.820 507 V N 5.799 125.661 119.914 -0.087 0.000 2.448 507 V HA 0.540 4.660 4.120 -0.001 0.000 0.295 507 V C 0.490 176.403 176.094 -0.301 0.000 1.025 507 V CA -0.507 61.634 62.300 -0.264 0.000 0.859 507 V CB 1.170 32.843 31.823 -0.249 0.000 0.988 507 V HN 0.473 nan 8.190 nan 0.000 0.431 508 L N 3.366 124.380 121.223 -0.347 0.000 2.568 508 L HA 0.829 5.169 4.340 -0.001 0.000 0.257 508 L C -2.936 173.791 176.870 -0.238 0.000 1.024 508 L CA -2.024 52.567 54.840 -0.415 0.000 0.854 508 L CB 2.257 43.835 42.059 -0.801 0.000 1.460 508 L HN 0.329 nan 8.230 nan 0.000 0.409 509 P HA 0.189 nan 4.420 nan 0.000 0.274 509 P C 0.223 177.483 177.300 -0.068 0.000 1.231 509 P CA -0.275 62.756 63.100 -0.115 0.000 0.790 509 P CB 1.254 32.916 31.700 -0.063 0.000 0.951 510 L N 0.259 121.431 121.223 -0.085 0.000 2.599 510 L HA 0.065 4.404 4.340 -0.001 0.000 0.230 510 L C 1.279 178.112 176.870 -0.060 0.000 1.141 510 L CA 0.772 55.578 54.840 -0.057 0.000 0.877 510 L CB -0.563 41.432 42.059 -0.108 0.000 1.009 510 L HN 0.563 nan 8.230 nan 0.000 0.447 511 E N -2.236 117.940 120.200 -0.041 0.000 2.445 511 E HA 0.444 4.794 4.350 -0.001 0.000 0.279 511 E C 0.181 176.835 176.600 0.089 0.000 1.018 511 E CA -0.468 55.949 56.400 0.027 0.000 0.816 511 E CB 1.323 30.936 29.700 -0.144 0.000 1.356 511 E HN -0.088 nan 8.360 nan 0.000 0.462 512 G N 0.464 109.356 108.800 0.152 0.000 2.160 512 G HA2 -0.287 3.673 3.960 -0.001 0.000 0.251 512 G HA3 -0.287 3.673 3.960 -0.001 0.000 0.251 512 G C 0.543 175.509 174.900 0.111 0.000 1.008 512 G CA 0.653 45.824 45.100 0.118 0.000 0.724 512 G HN 0.403 nan 8.290 nan 0.000 0.514 513 L N 0.272 121.566 121.223 0.118 0.000 2.552 513 L HA 0.135 4.475 4.340 -0.001 0.000 0.227 513 L C 2.435 179.360 176.870 0.092 0.000 1.146 513 L CA 1.364 56.282 54.840 0.130 0.000 0.858 513 L CB -0.193 41.942 42.059 0.127 0.000 0.969 513 L HN 0.481 nan 8.230 nan 0.000 0.451 514 D N -0.666 119.773 120.400 0.066 0.000 2.213 514 D HA -0.133 4.506 4.640 -0.001 0.000 0.205 514 D C 1.116 177.434 176.300 0.029 0.000 0.961 514 D CA 0.147 54.168 54.000 0.036 0.000 0.853 514 D CB -0.056 40.756 40.800 0.019 0.000 0.967 514 D HN 0.475 nan 8.370 nan 0.000 0.496 515 Q N 0.213 120.035 119.800 0.038 0.000 2.308 515 Q HA 0.365 4.705 4.340 -0.001 0.000 0.207 515 Q C -0.311 175.701 176.000 0.019 0.000 1.035 515 Q CA -1.142 54.676 55.803 0.026 0.000 1.008 515 Q CB 1.186 29.943 28.738 0.031 0.000 1.168 515 Q HN 0.056 nan 8.270 nan 0.000 0.565 516 V N 1.700 121.617 119.914 0.006 0.000 2.509 516 V HA 0.314 4.434 4.120 -0.001 0.000 0.284 516 V C -2.229 173.858 176.094 -0.010 0.000 1.047 516 V CA -2.525 59.769 62.300 -0.010 0.000 0.952 516 V CB 1.274 33.087 31.823 -0.017 0.000 0.988 516 V HN 0.772 nan 8.190 nan 0.000 0.469 517 P HA 0.043 nan 4.420 nan 0.000 0.258 517 P C -0.263 177.023 177.300 -0.023 0.000 1.172 517 P CA 0.429 63.515 63.100 -0.024 0.000 0.762 517 P CB 0.571 32.235 31.700 -0.060 0.000 0.764 518 E N 2.386 122.579 120.200 -0.012 0.000 2.481 518 E HA 0.119 4.468 4.350 -0.001 0.000 0.198 518 E C 0.862 177.436 176.600 -0.043 0.000 1.027 518 E CA 0.166 56.548 56.400 -0.030 0.000 0.900 518 E CB 0.820 30.502 29.700 -0.030 0.000 0.993 518 E HN 0.519 nan 8.360 nan 0.000 0.482 519 R N -0.166 120.317 120.500 -0.028 0.000 2.753 519 R HA 0.216 4.556 4.340 -0.001 0.000 0.272 519 R C -1.116 175.176 176.300 -0.013 0.000 1.034 519 R CA -0.628 55.453 56.100 -0.032 0.000 0.869 519 R CB 1.135 31.408 30.300 -0.045 0.000 1.264 519 R HN -0.158 nan 8.270 nan 0.000 0.481 520 R N 0.835 121.319 120.500 -0.025 0.000 2.691 520 R HA 0.866 5.206 4.340 -0.001 0.000 0.259 520 R C -0.926 175.358 176.300 -0.028 0.000 1.048 520 R CA -0.645 55.432 56.100 -0.039 0.000 1.086 520 R CB 1.720 31.989 30.300 -0.050 0.000 1.166 520 R HN 0.690 nan 8.270 nan 0.000 0.526 521 A N -0.007 122.766 122.820 -0.078 0.000 2.594 521 A HA 0.393 4.713 4.320 -0.001 0.000 0.296 521 A C -1.581 175.898 177.584 -0.174 0.000 1.056 521 A CA -0.634 51.361 52.037 -0.070 0.000 0.693 521 A CB 1.598 20.600 19.000 0.002 0.000 1.278 521 A HN 0.393 nan 8.150 nan 0.000 0.408 522 V N 2.948 122.804 119.914 -0.096 0.000 2.459 522 V HA 0.796 4.915 4.120 -0.001 0.000 0.295 522 V C -0.993 175.098 176.094 -0.006 0.000 1.029 522 V CA -0.577 61.695 62.300 -0.046 0.000 0.874 522 V CB 1.106 32.947 31.823 0.030 0.000 0.985 522 V HN 1.444 nan 8.190 nan 0.000 0.438 523 L N 7.395 128.690 121.223 0.119 0.000 2.333 523 L HA 0.820 5.160 4.340 -0.001 0.000 0.280 523 L C -0.955 176.003 176.870 0.146 0.000 1.004 523 L CA -0.480 54.426 54.840 0.109 0.000 0.820 523 L CB 1.857 44.012 42.059 0.160 0.000 1.247 523 L HN 0.555 nan 8.230 nan 0.000 0.416 524 L N 0.532 121.771 121.223 0.027 0.000 2.370 524 L HA 0.687 5.026 4.340 -0.001 0.000 0.266 524 L C -0.582 176.325 176.870 0.062 0.000 1.002 524 L CA -0.705 54.149 54.840 0.023 0.000 0.818 524 L CB 1.336 43.353 42.059 -0.070 0.000 1.325 524 L HN 0.824 nan 8.230 nan 0.000 0.418 525 D N 1.353 121.700 120.400 -0.087 0.000 2.384 525 D HA 0.168 4.807 4.640 -0.001 0.000 0.244 525 D C 0.849 177.068 176.300 -0.135 0.000 1.251 525 D CA -0.418 53.391 54.000 -0.318 0.000 0.961 525 D CB 1.025 41.250 40.800 -0.958 0.000 1.116 525 D HN 0.552 nan 8.370 nan 0.000 0.484 526 I N -3.004 117.442 120.570 -0.208 0.000 3.688 526 I HA 0.193 4.362 4.170 -0.001 0.000 0.307 526 I C 0.143 176.164 176.117 -0.159 0.000 1.287 526 I CA -0.619 60.604 61.300 -0.129 0.000 1.192 526 I CB -1.279 36.635 38.000 -0.144 0.000 1.043 526 I HN 0.029 nan 8.210 nan 0.000 0.442 527 T N 0.839 115.292 114.554 -0.168 0.000 2.889 527 T HA 0.118 4.468 4.350 -0.001 0.000 0.291 527 T C 1.330 176.015 174.700 -0.026 0.000 0.995 527 T CA -0.074 61.968 62.100 -0.097 0.000 1.092 527 T CB 1.160 69.904 68.868 -0.208 0.000 0.954 527 T HN 0.604 nan 8.240 nan 0.000 0.506 528 C N 0.942 120.253 119.300 0.017 0.000 2.511 528 C HA 0.127 4.587 4.460 -0.001 0.000 0.277 528 C C 0.825 175.822 174.990 0.012 0.000 1.451 528 C CA -0.690 58.341 59.018 0.021 0.000 1.735 528 C CB -1.536 26.217 27.740 0.022 0.000 1.704 528 C HN 0.830 nan 8.230 nan 0.000 0.571 529 D N 1.228 121.613 120.400 -0.026 0.000 2.280 529 D HA 0.280 4.920 4.640 -0.001 0.000 0.243 529 D C 1.338 177.647 176.300 0.015 0.000 1.129 529 D CA 0.387 54.379 54.000 -0.012 0.000 0.848 529 D CB 1.368 42.118 40.800 -0.083 0.000 1.107 529 D HN 0.420 nan 8.370 nan 0.000 0.471 530 S N 2.398 118.123 115.700 0.041 0.000 2.493 530 S HA -0.208 4.262 4.470 -0.001 0.000 0.243 530 S C 1.328 175.962 174.600 0.057 0.000 0.991 530 S CA 0.550 58.779 58.200 0.049 0.000 0.957 530 S CB -0.054 63.176 63.200 0.050 0.000 0.756 530 S HN 0.531 nan 8.310 nan 0.000 0.521 531 D N 2.068 122.524 120.400 0.094 0.000 2.349 531 D HA 0.161 4.801 4.640 -0.001 0.000 0.224 531 D C 0.716 177.076 176.300 0.100 0.000 1.029 531 D CA 0.167 54.252 54.000 0.143 0.000 0.879 531 D CB -0.378 40.581 40.800 0.265 0.000 0.906 531 D HN 0.517 nan 8.370 nan 0.000 0.528 532 G N 0.119 108.949 108.800 0.050 0.000 2.922 532 G HA2 0.592 4.552 3.960 -0.001 0.000 0.335 532 G HA3 0.592 4.552 3.960 -0.001 0.000 0.335 532 G C -0.393 174.437 174.900 -0.117 0.000 1.016 532 G CA 0.167 45.214 45.100 -0.089 0.000 1.306 532 G HN 0.233 nan 8.290 nan 0.000 0.465 533 A N 2.118 124.873 122.820 -0.109 0.000 2.540 533 A HA 0.675 4.994 4.320 -0.001 0.000 0.291 533 A C -1.387 176.182 177.584 -0.025 0.000 1.083 533 A CA -0.680 51.341 52.037 -0.027 0.000 0.650 533 A CB 0.843 19.842 19.000 -0.000 0.000 1.292 533 A HN 0.345 nan 8.150 nan 0.000 0.435 534 I N 1.789 122.380 120.570 0.034 0.000 2.315 534 I HA 0.244 4.414 4.170 -0.001 0.000 0.291 534 I C 0.537 176.496 176.117 -0.263 0.000 1.006 534 I CA 0.049 61.278 61.300 -0.119 0.000 1.265 534 I CB 0.959 38.883 38.000 -0.128 0.000 1.387 534 I HN 0.821 nan 8.210 nan 0.000 0.475 535 D N 4.209 124.385 120.400 -0.373 0.000 2.110 535 D HA -0.046 4.594 4.640 -0.001 0.000 0.202 535 D C 0.420 176.388 176.300 -0.553 0.000 0.975 535 D CA 1.659 55.375 54.000 -0.473 0.000 0.839 535 D CB 0.417 40.812 40.800 -0.674 0.000 0.996 535 D HN 0.445 nan 8.370 nan 0.000 0.464 536 H N -1.306 117.550 119.070 -0.356 0.000 2.621 536 H HA 0.379 4.935 4.556 -0.000 0.000 0.360 536 H C -0.741 174.252 175.328 -0.558 0.000 1.163 536 H CA -0.447 55.428 56.048 -0.289 0.000 1.194 536 H CB 0.797 30.477 29.762 -0.136 0.000 1.649 536 H HN -0.009 nan 8.280 nan 0.000 0.532 537 Y N -0.155 120.243 120.300 0.165 0.000 2.576 537 Y HA 0.276 4.826 4.550 -0.001 0.000 0.346 537 Y C 0.381 176.347 175.900 0.110 0.000 1.018 537 Y CA -1.162 57.013 58.100 0.124 0.000 1.050 537 Y CB 1.501 40.037 38.460 0.126 0.000 1.280 537 Y HN 0.330 nan 8.280 nan 0.000 0.474 538 I N 2.099 122.842 120.570 0.289 0.000 2.556 538 I HA 0.064 4.233 4.170 -0.001 0.000 0.284 538 I C -0.208 176.036 176.117 0.210 0.000 1.114 538 I CA 0.449 61.880 61.300 0.218 0.000 1.418 538 I CB 0.537 38.688 38.000 0.251 0.000 1.394 538 I HN 0.682 nan 8.210 nan 0.000 0.552 539 D N 4.640 125.100 120.400 0.099 0.000 2.846 539 D HA 0.356 4.996 4.640 -0.001 0.000 0.279 539 D C 0.752 177.040 176.300 -0.020 0.000 1.222 539 D CA 0.553 54.562 54.000 0.016 0.000 0.769 539 D CB 0.652 41.460 40.800 0.013 0.000 1.299 539 D HN 0.838 nan 8.370 nan 0.000 0.537 540 G N 2.202 110.992 108.800 -0.016 0.000 2.686 540 G HA2 -0.461 3.498 3.960 -0.001 0.000 0.329 540 G HA3 -0.461 3.498 3.960 -0.001 0.000 0.329 540 G C 1.139 175.983 174.900 -0.094 0.000 1.187 540 G CA 0.788 45.850 45.100 -0.065 0.000 0.965 540 G HN 0.452 nan 8.290 nan 0.000 0.549 541 D N 1.582 121.926 120.400 -0.093 0.000 2.137 541 D HA 0.008 4.648 4.640 -0.001 0.000 0.189 541 D C 1.547 177.801 176.300 -0.077 0.000 0.998 541 D CA 2.188 56.133 54.000 -0.093 0.000 0.839 541 D CB -0.518 40.240 40.800 -0.071 0.000 0.962 541 D HN 0.805 nan 8.370 nan 0.000 0.446 542 G N -0.546 108.221 108.800 -0.055 0.000 3.176 542 G HA2 0.554 4.514 3.960 -0.001 0.000 0.272 542 G HA3 0.554 4.514 3.960 -0.001 0.000 0.272 542 G C -0.682 174.202 174.900 -0.026 0.000 1.349 542 G CA -0.645 44.425 45.100 -0.050 0.000 0.953 542 G HN 0.208 nan 8.290 nan 0.000 0.559 543 I N -1.538 119.008 120.570 -0.040 0.000 2.396 543 I HA 0.791 4.960 4.170 -0.001 0.000 0.292 543 I C 0.169 176.294 176.117 0.014 0.000 0.999 543 I CA -0.872 60.423 61.300 -0.008 0.000 1.310 543 I CB 1.720 39.679 38.000 -0.070 0.000 1.404 543 I HN 0.549 nan 8.210 nan 0.000 0.496 544 A N 3.792 126.677 122.820 0.109 0.000 2.330 544 A HA 0.589 4.909 4.320 -0.001 0.000 0.329 544 A C 0.911 178.657 177.584 0.270 0.000 1.135 544 A CA -0.156 51.962 52.037 0.135 0.000 0.817 544 A CB 1.143 20.206 19.000 0.104 0.000 1.269 544 A HN 0.876 nan 8.150 nan 0.000 0.469 545 T N -1.973 112.723 114.554 0.237 0.000 3.088 545 T HA 0.156 4.505 4.350 -0.001 0.000 0.259 545 T C 0.744 175.651 174.700 0.345 0.000 1.122 545 T CA 1.219 63.501 62.100 0.304 0.000 1.095 545 T CB -0.318 68.666 68.868 0.194 0.000 0.930 545 T HN 0.832 nan 8.240 nan 0.000 0.508 546 T N 0.783 115.458 114.554 0.201 0.000 2.916 546 T HA 0.632 4.982 4.350 -0.001 0.000 0.292 546 T C -1.179 173.352 174.700 -0.281 0.000 1.055 546 T CA -1.135 60.934 62.100 -0.052 0.000 1.009 546 T CB 1.695 70.539 68.868 -0.040 0.000 1.118 546 T HN 0.332 nan 8.240 nan 0.000 0.497 547 M N 5.115 124.329 119.600 -0.643 0.000 2.268 547 M HA 0.532 5.012 4.480 -0.001 0.000 0.344 547 M C -2.495 173.696 176.300 -0.181 0.000 1.106 547 M CA -2.300 52.696 55.300 -0.508 0.000 1.010 547 M CB 2.128 34.225 32.600 -0.839 0.000 1.649 547 M HN 0.335 nan 8.290 nan 0.000 0.443 548 P HA 0.202 nan 4.420 nan 0.000 0.282 548 P C -1.402 175.925 177.300 0.044 0.000 1.262 548 P CA -0.112 62.959 63.100 -0.050 0.000 0.773 548 P CB 0.799 32.416 31.700 -0.140 0.000 0.879 549 M N 4.824 124.461 119.600 0.062 0.000 2.528 549 M HA 0.453 4.933 4.480 -0.001 0.000 0.321 549 M C -2.546 173.842 176.300 0.146 0.000 1.153 549 M CA -2.572 52.809 55.300 0.136 0.000 0.951 549 M CB 2.227 34.946 32.600 0.199 0.000 1.705 549 M HN 0.047 nan 8.290 nan 0.000 0.451 550 P HA 0.096 nan 4.420 nan 0.000 0.274 550 P C -0.687 176.714 177.300 0.168 0.000 1.246 550 P CA -0.333 62.850 63.100 0.139 0.000 0.795 550 P CB 0.463 32.243 31.700 0.133 0.000 1.006 551 E N 1.713 121.957 120.200 0.074 0.000 2.341 551 E HA 0.037 4.387 4.350 -0.001 0.000 0.256 551 E C -1.063 175.575 176.600 0.064 0.000 1.125 551 E CA 0.458 56.859 56.400 0.002 0.000 0.939 551 E CB -0.865 28.827 29.700 -0.013 0.000 0.991 551 E HN 0.275 nan 8.360 nan 0.000 0.458 552 Y N 1.314 121.616 120.300 0.003 0.000 2.598 552 Y HA 0.555 5.105 4.550 -0.001 0.000 0.340 552 Y C -0.464 175.430 175.900 -0.010 0.000 1.038 552 Y CA -1.929 56.168 58.100 -0.004 0.000 1.100 552 Y CB 0.866 39.319 38.460 -0.011 0.000 1.281 552 Y HN 0.228 nan 8.280 nan 0.000 0.488 553 D N 3.588 124.103 120.400 0.191 0.000 2.325 553 D HA 0.229 4.869 4.640 -0.001 0.000 0.251 553 D C -1.685 174.718 176.300 0.172 0.000 1.196 553 D CA -2.781 51.269 54.000 0.084 0.000 0.866 553 D CB 1.413 42.248 40.800 0.058 0.000 1.101 553 D HN 0.436 nan 8.370 nan 0.000 0.476 554 P HA -0.160 nan 4.420 nan 0.000 0.222 554 P C 0.946 178.197 177.300 -0.081 0.000 1.147 554 P CA 0.682 63.863 63.100 0.135 0.000 0.790 554 P CB 0.448 32.201 31.700 0.088 0.000 0.780 555 E N 0.570 120.732 120.200 -0.064 0.000 2.216 555 E HA -0.081 4.268 4.350 -0.001 0.000 0.192 555 E C 0.499 176.964 176.600 -0.225 0.000 0.988 555 E CA 0.508 56.848 56.400 -0.099 0.000 0.834 555 E CB -0.098 29.617 29.700 0.025 0.000 0.772 555 E HN 0.257 nan 8.360 nan 0.000 0.479 556 N N 0.898 119.508 118.700 -0.150 0.000 2.711 556 N HA 0.180 4.920 4.740 -0.001 0.000 0.263 556 N C -2.696 172.774 175.510 -0.067 0.000 1.667 556 N CA -1.275 51.713 53.050 -0.104 0.000 0.785 556 N CB 1.116 39.589 38.487 -0.025 0.000 1.231 556 N HN -0.061 nan 8.380 nan 0.000 0.503 557 P HA 0.233 nan 4.420 nan 0.000 0.271 557 P C -2.659 174.555 177.300 -0.144 0.000 1.244 557 P CA -0.551 62.451 63.100 -0.163 0.000 0.793 557 P CB 0.585 32.129 31.700 -0.261 0.000 0.984 558 P HA 0.373 nan 4.420 nan 0.000 0.306 558 P C -0.394 176.820 177.300 -0.143 0.000 1.309 558 P CA -0.461 62.551 63.100 -0.148 0.000 0.759 558 P CB 0.630 32.241 31.700 -0.147 0.000 1.314 559 M N -0.667 118.854 119.600 -0.132 0.000 2.444 559 M HA 0.363 4.842 4.480 -0.001 0.000 0.319 559 M C -0.473 175.730 176.300 -0.162 0.000 1.183 559 M CA -0.679 54.547 55.300 -0.122 0.000 1.032 559 M CB 0.494 33.025 32.600 -0.115 0.000 1.569 559 M HN 0.121 nan 8.290 nan 0.000 0.468 560 L N 0.963 122.078 121.223 -0.179 0.000 2.346 560 L HA 0.840 5.180 4.340 -0.001 0.000 0.274 560 L C -0.199 176.445 176.870 -0.377 0.000 1.007 560 L CA -0.108 54.553 54.840 -0.299 0.000 0.818 560 L CB 2.004 43.864 42.059 -0.332 0.000 1.284 560 L HN 0.726 nan 8.230 nan 0.000 0.424 561 G N 2.236 110.725 108.800 -0.518 0.000 2.530 561 G HA2 0.593 4.552 3.960 -0.001 0.000 0.316 561 G HA3 0.593 4.552 3.960 -0.001 0.000 0.316 561 G C -1.571 172.781 174.900 -0.915 0.000 1.298 561 G CA -0.238 44.472 45.100 -0.650 0.000 0.948 561 G HN 0.258 nan 8.290 nan 0.000 0.486 562 F N 1.755 121.291 119.950 -0.691 0.000 2.402 562 F HA 0.562 5.088 4.527 -0.001 0.000 0.355 562 F C -0.183 175.244 175.800 -0.622 0.000 1.123 562 F CA -0.656 57.041 58.000 -0.505 0.000 1.021 562 F CB 1.503 40.222 39.000 -0.468 0.000 1.160 562 F HN 0.266 nan 8.300 nan 0.000 0.451 563 F N 2.498 122.380 119.950 -0.112 0.000 2.518 563 F HA 0.457 4.984 4.527 -0.000 0.000 0.338 563 F C 0.750 176.548 175.800 -0.002 0.000 1.065 563 F CA -1.112 56.803 58.000 -0.142 0.000 1.012 563 F CB 0.644 39.482 39.000 -0.269 0.000 1.297 563 F HN 0.269 nan 8.300 nan 0.000 0.489 564 M N -0.604 119.164 119.600 0.281 0.000 2.872 564 M HA -0.162 4.317 4.480 -0.001 0.000 0.183 564 M C 0.015 176.571 176.300 0.426 0.000 0.631 564 M CA 0.316 55.805 55.300 0.316 0.000 0.672 564 M CB -2.523 30.265 32.600 0.314 0.000 2.432 564 M HN 0.388 nan 8.290 nan 0.000 0.376 565 V N 0.634 120.642 119.914 0.157 0.000 2.836 565 V HA 0.530 4.649 4.120 -0.001 0.000 0.368 565 V C 1.426 177.527 176.094 0.012 0.000 1.452 565 V CA 1.073 63.336 62.300 -0.062 0.000 1.586 565 V CB -0.085 31.490 31.823 -0.413 0.000 1.436 565 V HN 0.550 nan 8.190 nan 0.000 0.541 566 G N 1.789 110.679 108.800 0.150 0.000 2.720 566 G HA2 0.454 4.414 3.960 -0.001 0.000 0.204 566 G HA3 0.454 4.414 3.960 -0.001 0.000 0.204 566 G C 0.608 175.617 174.900 0.183 0.000 1.113 566 G CA 0.588 45.775 45.100 0.146 0.000 0.805 566 G HN 0.811 nan 8.290 nan 0.000 0.536 567 A N -0.882 122.056 122.820 0.196 0.000 2.312 567 A HA 0.627 4.947 4.320 -0.001 0.000 0.326 567 A C 0.125 177.793 177.584 0.139 0.000 1.172 567 A CA -0.605 51.464 52.037 0.054 0.000 0.821 567 A CB 0.298 19.276 19.000 -0.037 0.000 1.166 567 A HN 0.763 nan 8.150 nan 0.000 0.493 568 Y N -0.723 119.673 120.300 0.160 0.000 4.538 568 Y HA -0.281 4.269 4.550 -0.001 0.000 0.225 568 Y C 1.359 177.335 175.900 0.126 0.000 1.074 568 Y CA 1.489 59.669 58.100 0.133 0.000 1.942 568 Y CB -2.077 36.458 38.460 0.126 0.000 1.618 568 Y HN 0.790 nan 8.280 nan 0.000 0.642 569 Q N -0.663 119.259 119.800 0.202 0.000 2.596 569 Q HA 0.150 4.490 4.340 -0.001 0.000 0.190 569 Q C 1.924 177.980 176.000 0.093 0.000 0.905 569 Q CA 1.175 57.054 55.803 0.126 0.000 0.846 569 Q CB -0.254 28.509 28.738 0.041 0.000 1.117 569 Q HN 0.476 nan 8.270 nan 0.000 0.630 570 E N 0.500 120.744 120.200 0.074 0.000 2.160 570 E HA -0.257 4.093 4.350 -0.001 0.000 0.237 570 E C 0.769 177.435 176.600 0.109 0.000 1.069 570 E CA 1.615 58.065 56.400 0.083 0.000 0.950 570 E CB -0.405 29.365 29.700 0.117 0.000 0.832 570 E HN 0.322 nan 8.360 nan 0.000 0.496 571 I N 0.932 121.581 120.570 0.131 0.000 2.664 571 I HA 0.071 4.240 4.170 -0.001 0.000 0.291 571 I C -0.099 176.090 176.117 0.120 0.000 1.120 571 I CA 0.289 61.662 61.300 0.121 0.000 1.503 571 I CB -0.201 37.871 38.000 0.120 0.000 1.506 571 I HN 0.132 nan 8.210 nan 0.000 0.621 572 L N 3.450 124.744 121.223 0.120 0.000 3.794 572 L HA 0.333 4.673 4.340 -0.001 0.000 0.364 572 L C 0.663 177.608 176.870 0.125 0.000 1.297 572 L CA -0.403 54.515 54.840 0.131 0.000 1.130 572 L CB 0.482 42.640 42.059 0.165 0.000 1.442 572 L HN 0.423 nan 8.230 nan 0.000 0.616 573 G N 0.424 109.286 108.800 0.104 0.000 2.477 573 G HA2 0.474 4.434 3.960 -0.001 0.000 0.304 573 G HA3 0.474 4.434 3.960 -0.001 0.000 0.304 573 G C -0.675 174.269 174.900 0.074 0.000 1.175 573 G CA -0.324 44.833 45.100 0.096 0.000 0.907 573 G HN 0.337 nan 8.290 nan 0.000 0.509 574 N N -1.051 117.685 118.700 0.061 0.000 2.314 574 N HA 0.401 5.141 4.740 -0.001 0.000 0.304 574 N C 0.210 175.699 175.510 -0.034 0.000 1.073 574 N CA -0.980 52.065 53.050 -0.007 0.000 0.822 574 N CB 1.675 40.142 38.487 -0.033 0.000 1.280 574 N HN 0.565 nan 8.380 nan 0.000 0.489 575 M N 0.073 119.605 119.600 -0.114 0.000 3.070 575 M HA 0.145 4.625 4.480 -0.001 0.000 0.275 575 M C 0.261 176.467 176.300 -0.156 0.000 1.510 575 M CA -0.100 55.124 55.300 -0.127 0.000 1.608 575 M CB -0.645 31.814 32.600 -0.235 0.000 1.266 575 M HN 0.762 nan 8.290 nan 0.000 0.514 576 H N 4.077 123.026 119.070 -0.201 0.000 2.610 576 H HA -0.089 4.467 4.556 -0.001 0.000 0.298 576 H C 0.354 175.520 175.328 -0.271 0.000 1.035 576 H CA 2.591 58.441 56.048 -0.331 0.000 1.123 576 H CB 0.225 29.678 29.762 -0.515 0.000 1.447 576 H HN 0.727 nan 8.280 nan 0.000 0.659 577 N N 0.782 119.531 118.700 0.081 0.000 2.623 577 N HA 0.144 4.884 4.740 -0.001 0.000 0.263 577 N C -0.641 174.539 175.510 -0.551 0.000 1.218 577 N CA 0.249 53.180 53.050 -0.197 0.000 0.949 577 N CB 0.060 38.502 38.487 -0.075 0.000 1.270 577 N HN 0.379 nan 8.380 nan 0.000 0.507 578 L N -0.925 120.052 121.223 -0.410 0.000 3.898 578 L HA -0.253 4.087 4.340 -0.001 0.000 0.407 578 L C -0.926 175.617 176.870 -0.545 0.000 1.207 578 L CA 0.397 54.973 54.840 -0.439 0.000 0.931 578 L CB -2.055 39.746 42.059 -0.430 0.000 2.014 578 L HN 0.322 nan 8.230 nan 0.000 0.858 579 F N 0.536 120.311 119.950 -0.292 0.000 2.404 579 F HA 0.524 5.051 4.527 -0.001 0.000 0.358 579 F C 1.484 177.143 175.800 -0.235 0.000 1.120 579 F CA 0.207 57.957 58.000 -0.418 0.000 1.144 579 F CB 1.239 39.928 39.000 -0.517 0.000 1.133 579 F HN 0.037 nan 8.300 nan 0.000 0.495 580 G N 2.251 111.041 108.800 -0.017 0.000 2.535 580 G HA2 0.109 4.068 3.960 -0.001 0.000 0.282 580 G HA3 0.109 4.068 3.960 -0.001 0.000 0.282 580 G C -0.613 174.424 174.900 0.228 0.000 1.350 580 G CA -0.785 44.364 45.100 0.081 0.000 1.039 580 G HN 0.451 nan 8.290 nan 0.000 0.509 581 D N 0.730 121.241 120.400 0.186 0.000 2.488 581 D HA 0.151 4.791 4.640 -0.001 0.000 0.238 581 D C 1.135 177.585 176.300 0.252 0.000 1.138 581 D CA 0.629 54.742 54.000 0.188 0.000 0.873 581 D CB 0.755 41.640 40.800 0.141 0.000 1.183 581 D HN 0.384 nan 8.370 nan 0.000 0.458 582 T N -0.182 114.466 114.554 0.157 0.000 2.813 582 T HA 0.172 4.522 4.350 -0.001 0.000 0.297 582 T C 0.477 175.231 174.700 0.090 0.000 1.036 582 T CA -0.812 61.344 62.100 0.093 0.000 1.044 582 T CB 1.396 70.208 68.868 -0.093 0.000 0.993 582 T HN 0.281 nan 8.240 nan 0.000 0.535 583 E N -0.181 120.040 120.200 0.035 0.000 2.366 583 E HA 0.501 4.850 4.350 -0.001 0.000 0.266 583 E C -0.619 175.896 176.600 -0.141 0.000 1.051 583 E CA -0.669 55.683 56.400 -0.080 0.000 0.884 583 E CB 0.647 30.219 29.700 -0.213 0.000 1.006 583 E HN 0.858 nan 8.360 nan 0.000 0.417 584 A N 2.434 125.169 122.820 -0.141 0.000 2.401 584 A HA 0.650 4.970 4.320 -0.001 0.000 0.310 584 A C -1.098 176.340 177.584 -0.243 0.000 1.075 584 A CA -0.661 51.255 52.037 -0.200 0.000 0.746 584 A CB 1.415 20.348 19.000 -0.113 0.000 1.277 584 A HN 0.446 nan 8.150 nan 0.000 0.425 585 V N -1.097 118.603 119.914 -0.357 0.000 2.925 585 V HA 0.702 4.822 4.120 -0.001 0.000 0.311 585 V C -1.596 174.328 176.094 -0.283 0.000 1.104 585 V CA -1.031 61.079 62.300 -0.316 0.000 0.954 585 V CB 2.182 33.734 31.823 -0.452 0.000 1.022 585 V HN 0.694 nan 8.190 nan 0.000 0.427 586 D N 2.599 122.914 120.400 -0.142 0.000 2.280 586 D HA 0.595 5.235 4.640 -0.001 0.000 0.236 586 D C -0.338 175.902 176.300 -0.100 0.000 1.082 586 D CA -0.030 53.889 54.000 -0.136 0.000 0.834 586 D CB 2.043 42.902 40.800 0.098 0.000 1.100 586 D HN 0.548 nan 8.370 nan 0.000 0.486 587 V N 2.787 122.465 119.914 -0.393 0.000 2.483 587 V HA 0.493 4.613 4.120 -0.001 0.000 0.295 587 V C -0.339 175.566 176.094 -0.315 0.000 1.035 587 V CA -0.692 61.469 62.300 -0.233 0.000 0.896 587 V CB 0.901 32.503 31.823 -0.368 0.000 0.986 587 V HN 0.299 nan 8.190 nan 0.000 0.447 588 F N 2.426 122.317 119.950 -0.099 0.000 2.546 588 F HA 0.784 5.310 4.527 -0.000 0.000 0.320 588 F C -0.168 175.378 175.800 -0.423 0.000 1.076 588 F CA -0.964 56.896 58.000 -0.234 0.000 0.928 588 F CB 2.281 41.078 39.000 -0.338 0.000 1.189 588 F HN 0.161 nan 8.300 nan 0.000 0.465 589 V N 3.181 122.891 119.914 -0.339 0.000 2.569 589 V HA 0.437 4.556 4.120 -0.001 0.000 0.301 589 V C -0.744 175.122 176.094 -0.380 0.000 1.044 589 V CA -1.054 61.048 62.300 -0.330 0.000 0.874 589 V CB 1.339 33.104 31.823 -0.097 0.000 1.002 589 V HN 0.549 nan 8.190 nan 0.000 0.424 590 F N 4.854 124.876 119.950 0.120 0.000 2.450 590 F HA 0.512 5.039 4.527 -0.001 0.000 0.328 590 F C -0.988 174.847 175.800 0.058 0.000 1.068 590 F CA -2.195 55.860 58.000 0.091 0.000 1.007 590 F CB 1.544 40.590 39.000 0.078 0.000 1.251 590 F HN 0.306 nan 8.300 nan 0.000 0.492 591 P HA -0.160 nan 4.420 nan 0.000 0.226 591 P C 0.835 178.209 177.300 0.123 0.000 1.153 591 P CA 1.281 64.464 63.100 0.138 0.000 0.777 591 P CB 0.192 31.959 31.700 0.111 0.000 0.794 592 D N 0.395 120.899 120.400 0.174 0.000 2.123 592 D HA -0.122 4.517 4.640 -0.001 0.000 0.196 592 D C 1.732 178.101 176.300 0.116 0.000 0.992 592 D CA 2.429 56.509 54.000 0.134 0.000 0.833 592 D CB -0.544 40.355 40.800 0.165 0.000 0.954 592 D HN 0.268 nan 8.370 nan 0.000 0.455 593 G N -1.010 107.872 108.800 0.137 0.000 2.336 593 G HA2 -0.183 3.776 3.960 -0.001 0.000 0.194 593 G HA3 -0.183 3.776 3.960 -0.001 0.000 0.194 593 G C 0.325 175.284 174.900 0.099 0.000 0.999 593 G CA 0.499 45.653 45.100 0.089 0.000 0.669 593 G HN 0.691 nan 8.290 nan 0.000 0.482 594 S N -0.314 115.482 115.700 0.161 0.000 2.603 594 S HA 0.688 5.158 4.470 -0.001 0.000 0.268 594 S C -0.119 174.546 174.600 0.109 0.000 1.317 594 S CA -0.126 58.176 58.200 0.170 0.000 1.012 594 S CB 2.443 65.796 63.200 0.255 0.000 0.926 594 S HN 1.063 nan 8.310 nan 0.000 0.539 595 V N 2.108 122.067 119.914 0.075 0.000 2.482 595 V HA 0.400 4.520 4.120 -0.001 0.000 0.295 595 V C -0.371 175.759 176.094 0.059 0.000 1.026 595 V CA -0.589 61.716 62.300 0.007 0.000 0.856 595 V CB 1.415 33.262 31.823 0.039 0.000 1.001 595 V HN 0.971 nan 8.190 nan 0.000 0.424 596 E N 3.313 123.542 120.200 0.049 0.000 2.191 596 E HA 0.628 4.977 4.350 -0.001 0.000 0.278 596 E C -1.193 175.513 176.600 0.177 0.000 0.972 596 E CA -0.588 55.886 56.400 0.123 0.000 0.804 596 E CB 2.598 32.371 29.700 0.123 0.000 1.110 596 E HN 0.419 nan 8.360 nan 0.000 0.394 597 V N 3.748 123.740 119.914 0.130 0.000 2.465 597 V HA 0.082 4.201 4.120 -0.001 0.000 0.263 597 V C -0.408 175.728 176.094 0.070 0.000 0.981 597 V CA -0.670 61.698 62.300 0.114 0.000 0.838 597 V CB 0.624 32.498 31.823 0.085 0.000 1.068 597 V HN 0.642 nan 8.190 nan 0.000 0.458 598 E N 3.756 124.014 120.200 0.095 0.000 2.283 598 E HA 0.566 4.916 4.350 -0.001 0.000 0.271 598 E C -0.199 176.411 176.600 0.016 0.000 1.031 598 E CA -0.899 55.529 56.400 0.047 0.000 0.868 598 E CB 2.083 31.811 29.700 0.047 0.000 1.094 598 E HN 0.359 nan 8.360 nan 0.000 0.401 599 L N 2.075 123.294 121.223 -0.007 0.000 2.456 599 L HA 0.013 4.353 4.340 -0.001 0.000 0.272 599 L C 0.254 177.123 176.870 -0.001 0.000 1.189 599 L CA 0.861 55.681 54.840 -0.032 0.000 0.846 599 L CB 1.440 43.480 42.059 -0.031 0.000 1.111 599 L HN 0.864 nan 8.230 nan 0.000 0.475 600 S N 2.286 117.975 115.700 -0.018 0.000 2.665 600 S HA 0.197 4.666 4.470 -0.001 0.000 0.240 600 S C -0.087 174.565 174.600 0.086 0.000 1.081 600 S CA -0.129 58.095 58.200 0.039 0.000 0.887 600 S CB 0.340 63.534 63.200 -0.010 0.000 0.805 600 S HN 0.823 nan 8.310 nan 0.000 0.486 601 D N 0.418 120.839 120.400 0.036 0.000 2.934 601 D HA 0.359 4.999 4.640 -0.001 0.000 0.230 601 D C 0.233 176.540 176.300 0.011 0.000 1.204 601 D CA -0.378 53.658 54.000 0.060 0.000 0.873 601 D CB 2.017 42.880 40.800 0.105 0.000 1.645 601 D HN -0.084 nan 8.370 nan 0.000 0.502 602 E N 1.284 121.500 120.200 0.026 0.000 2.031 602 E HA 0.058 4.407 4.350 -0.001 0.000 0.193 602 E C 0.421 177.036 176.600 0.024 0.000 0.994 602 E CA 1.243 57.652 56.400 0.015 0.000 0.800 602 E CB -0.146 29.574 29.700 0.033 0.000 0.752 602 E HN 0.806 nan 8.360 nan 0.000 0.447 603 G N 3.108 111.959 108.800 0.085 0.000 3.436 603 G HA2 -0.144 3.816 3.960 -0.001 0.000 0.685 603 G HA3 -0.144 3.816 3.960 -0.001 0.000 0.685 603 G C -0.676 174.371 174.900 0.244 0.000 1.039 603 G CA -0.077 45.135 45.100 0.186 0.000 0.879 603 G HN 0.025 nan 8.290 nan 0.000 0.478 604 D N 0.997 121.541 120.400 0.239 0.000 2.443 604 D HA 0.381 5.021 4.640 -0.001 0.000 0.234 604 D C 1.349 177.784 176.300 0.225 0.000 1.172 604 D CA 1.509 55.620 54.000 0.185 0.000 0.878 604 D CB 0.825 41.701 40.800 0.126 0.000 1.204 604 D HN 0.858 nan 8.370 nan 0.000 0.453 605 T N -3.035 111.602 114.554 0.138 0.000 2.930 605 T HA 0.308 4.658 4.350 -0.001 0.000 0.290 605 T C 1.409 176.098 174.700 -0.018 0.000 1.052 605 T CA -0.943 61.220 62.100 0.106 0.000 1.017 605 T CB 1.176 70.117 68.868 0.123 0.000 1.137 605 T HN 0.028 nan 8.240 nan 0.000 0.511 606 V N 1.385 121.245 119.914 -0.091 0.000 2.313 606 V HA -0.246 3.873 4.120 -0.001 0.000 0.253 606 V C 3.097 179.079 176.094 -0.186 0.000 1.070 606 V CA 2.679 64.868 62.300 -0.185 0.000 1.057 606 V CB -1.637 30.037 31.823 -0.249 0.000 0.653 606 V HN 1.089 nan 8.190 nan 0.000 0.450 607 A N -0.106 122.593 122.820 -0.202 0.000 1.908 607 A HA -0.269 4.051 4.320 -0.001 0.000 0.218 607 A C 1.997 179.534 177.584 -0.079 0.000 1.181 607 A CA 2.096 54.002 52.037 -0.219 0.000 0.627 607 A CB -0.660 18.154 19.000 -0.310 0.000 0.818 607 A HN 0.566 nan 8.150 nan 0.000 0.445 608 D N -0.371 120.019 120.400 -0.016 0.000 2.123 608 D HA -0.155 4.485 4.640 -0.001 0.000 0.196 608 D C 2.015 178.331 176.300 0.026 0.000 0.992 608 D CA 1.320 55.338 54.000 0.030 0.000 0.833 608 D CB -0.351 40.483 40.800 0.057 0.000 0.954 608 D HN 0.290 nan 8.370 nan 0.000 0.455 609 M N 0.162 119.747 119.600 -0.026 0.000 2.086 609 M HA -0.064 4.416 4.480 -0.001 0.000 0.261 609 M C 2.462 178.745 176.300 -0.027 0.000 1.067 609 M CA 0.877 56.147 55.300 -0.050 0.000 1.116 609 M CB -1.023 31.488 32.600 -0.148 0.000 1.348 609 M HN 0.062 nan 8.290 nan 0.000 0.407 610 L N -0.217 120.967 121.223 -0.066 0.000 2.265 610 L HA -0.223 4.117 4.340 -0.001 0.000 0.215 610 L C 2.656 179.523 176.870 -0.004 0.000 1.117 610 L CA 0.879 55.686 54.840 -0.055 0.000 0.782 610 L CB -0.655 41.346 42.059 -0.097 0.000 0.914 610 L HN 0.415 nan 8.230 nan 0.000 0.441 611 Q N -0.958 118.852 119.800 0.016 0.000 2.119 611 Q HA -0.224 4.116 4.340 -0.001 0.000 0.201 611 Q C 2.121 178.150 176.000 0.048 0.000 0.972 611 Q CA 1.548 57.367 55.803 0.026 0.000 0.847 611 Q CB -0.288 28.468 28.738 0.030 0.000 0.903 611 Q HN 0.477 nan 8.270 nan 0.000 0.433 612 Y N 1.545 121.820 120.300 -0.042 0.000 2.181 612 Y HA -0.171 4.379 4.550 -0.001 0.000 0.288 612 Y C 2.012 177.884 175.900 -0.046 0.000 1.146 612 Y CA 1.397 59.472 58.100 -0.040 0.000 1.164 612 Y CB 0.093 38.525 38.460 -0.047 0.000 0.982 612 Y HN -0.007 nan 8.280 nan 0.000 0.515 613 V N -0.670 119.367 119.914 0.206 0.000 3.490 613 V HA 0.123 4.243 4.120 -0.001 0.000 0.315 613 V C -0.145 175.970 176.094 0.035 0.000 1.284 613 V CA 0.191 62.557 62.300 0.110 0.000 1.233 613 V CB -1.454 30.391 31.823 0.037 0.000 1.101 613 V HN 0.482 nan 8.190 nan 0.000 0.425 614 Q N -0.024 119.787 119.800 0.018 0.000 2.436 614 Q HA -0.179 4.160 4.340 -0.001 0.000 0.362 614 Q C 0.208 176.206 176.000 -0.003 0.000 1.423 614 Q CA 0.928 56.727 55.803 -0.006 0.000 1.014 614 Q CB -1.465 27.263 28.738 -0.016 0.000 1.177 614 Q HN 0.678 nan 8.270 nan 0.000 0.324 615 L N -0.199 121.022 121.223 -0.003 0.000 2.885 615 L HA 0.159 4.499 4.340 -0.001 0.000 0.251 615 L C 0.099 176.971 176.870 0.003 0.000 1.071 615 L CA 0.065 54.904 54.840 -0.003 0.000 0.956 615 L CB 0.601 42.653 42.059 -0.012 0.000 1.483 615 L HN 0.632 nan 8.230 nan 0.000 0.525 616 D N 0.570 120.972 120.400 0.002 0.000 5.167 616 D HA -0.123 4.516 4.640 -0.001 0.000 0.237 616 D C -1.807 174.503 176.300 0.016 0.000 1.278 616 D CA 0.201 54.210 54.000 0.015 0.000 1.266 616 D CB 0.410 41.223 40.800 0.022 0.000 0.704 616 D HN 0.091 nan 8.370 nan 0.000 0.350 617 P HA -0.183 nan 4.420 nan 0.000 0.216 617 P C 1.335 178.676 177.300 0.068 0.000 1.153 617 P CA 1.254 64.337 63.100 -0.027 0.000 0.848 617 P CB 0.191 31.796 31.700 -0.159 0.000 0.787 618 K N 0.238 120.710 120.400 0.119 0.000 2.015 618 K HA -0.149 4.171 4.320 -0.001 0.000 0.216 618 K C 2.318 178.980 176.600 0.104 0.000 1.052 618 K CA 2.767 59.136 56.287 0.137 0.000 0.937 618 K CB -1.402 31.164 32.500 0.111 0.000 0.719 618 K HN 0.305 nan 8.250 nan 0.000 0.446 619 T N -0.539 114.060 114.554 0.075 0.000 3.007 619 T HA -0.068 4.281 4.350 -0.001 0.000 0.270 619 T C 1.707 176.450 174.700 0.072 0.000 1.107 619 T CA 0.792 62.929 62.100 0.062 0.000 1.118 619 T CB -0.128 68.766 68.868 0.043 0.000 0.889 619 T HN 0.170 nan 8.240 nan 0.000 0.506 620 L N -0.705 120.571 121.223 0.087 0.000 2.307 620 L HA 0.333 4.673 4.340 -0.001 0.000 0.211 620 L C 2.409 179.379 176.870 0.166 0.000 1.099 620 L CA 0.450 55.358 54.840 0.115 0.000 0.816 620 L CB -0.196 41.926 42.059 0.106 0.000 0.952 620 L HN 0.258 nan 8.230 nan 0.000 0.455 621 L N -0.370 120.959 121.223 0.176 0.000 1.994 621 L HA -0.225 4.115 4.340 -0.001 0.000 0.208 621 L C 2.636 179.595 176.870 0.148 0.000 1.071 621 L CA 2.152 57.117 54.840 0.208 0.000 0.745 621 L CB -0.567 41.623 42.059 0.219 0.000 0.892 621 L HN 0.425 nan 8.230 nan 0.000 0.431 622 T N -3.045 111.577 114.554 0.112 0.000 2.788 622 T HA -0.267 4.083 4.350 -0.001 0.000 0.268 622 T C 1.693 176.425 174.700 0.052 0.000 1.044 622 T CA 1.109 63.254 62.100 0.075 0.000 1.139 622 T CB -0.400 68.502 68.868 0.057 0.000 0.867 622 T HN 0.382 nan 8.240 nan 0.000 0.454 623 Q N -0.481 119.354 119.800 0.058 0.000 2.291 623 Q HA 0.027 4.367 4.340 -0.001 0.000 0.206 623 Q C 1.763 177.766 176.000 0.006 0.000 0.976 623 Q CA 0.970 56.792 55.803 0.032 0.000 0.875 623 Q CB -0.245 28.521 28.738 0.047 0.000 0.927 623 Q HN 0.593 nan 8.270 nan 0.000 0.450 624 F N 0.503 120.349 119.950 -0.174 0.000 2.317 624 F HA 0.008 4.535 4.527 -0.001 0.000 0.293 624 F C 2.334 178.017 175.800 -0.195 0.000 1.085 624 F CA 0.621 58.432 58.000 -0.314 0.000 1.390 624 F CB 0.154 38.705 39.000 -0.748 0.000 1.077 624 F HN -0.161 nan 8.300 nan 0.000 0.517 625 R N 0.945 121.457 120.500 0.020 0.000 2.139 625 R HA -0.182 4.158 4.340 -0.001 0.000 0.243 625 R C 1.687 177.935 176.300 -0.086 0.000 1.145 625 R CA 2.356 58.454 56.100 -0.005 0.000 0.976 625 R CB -0.807 29.519 30.300 0.043 0.000 0.866 625 R HN 0.261 nan 8.270 nan 0.000 0.449 626 D N -0.206 120.136 120.400 -0.097 0.000 2.120 626 D HA -0.104 4.536 4.640 -0.001 0.000 0.202 626 D C 1.864 178.068 176.300 -0.160 0.000 0.972 626 D CA 1.120 55.058 54.000 -0.103 0.000 0.837 626 D CB -0.230 40.529 40.800 -0.068 0.000 0.989 626 D HN 0.411 nan 8.370 nan 0.000 0.469 627 Q N 0.661 120.324 119.800 -0.229 0.000 2.181 627 Q HA -0.110 4.230 4.340 -0.001 0.000 0.205 627 Q C 2.371 178.176 176.000 -0.324 0.000 0.980 627 Q CA 1.161 56.801 55.803 -0.272 0.000 0.862 627 Q CB -0.004 28.532 28.738 -0.336 0.000 0.905 627 Q HN 0.289 nan 8.270 nan 0.000 0.429 628 V N -2.244 117.421 119.914 -0.414 0.000 3.041 628 V HA -0.070 4.050 4.120 -0.001 0.000 0.260 628 V C 1.645 177.614 176.094 -0.209 0.000 1.105 628 V CA 1.153 63.246 62.300 -0.344 0.000 1.125 628 V CB -0.294 31.322 31.823 -0.345 0.000 0.730 628 V HN 0.146 nan 8.190 nan 0.000 0.479 629 K N 0.631 120.932 120.400 -0.164 0.000 2.228 629 K HA 0.079 4.398 4.320 -0.001 0.000 0.202 629 K C 1.186 177.723 176.600 -0.106 0.000 1.051 629 K CA 0.579 56.798 56.287 -0.114 0.000 0.960 629 K CB 0.013 32.462 32.500 -0.085 0.000 0.743 629 K HN 0.396 nan 8.250 nan 0.000 0.458 630 K N 0.576 120.906 120.400 -0.116 0.000 2.520 630 K HA 0.029 4.348 4.320 -0.001 0.000 0.205 630 K C 1.180 177.718 176.600 -0.102 0.000 1.035 630 K CA 0.308 56.538 56.287 -0.096 0.000 1.188 630 K CB 0.330 32.778 32.500 -0.087 0.000 0.894 630 K HN -0.068 nan 8.250 nan 0.000 0.497 631 T N 1.162 115.642 114.554 -0.124 0.000 3.055 631 T HA -0.078 4.271 4.350 -0.001 0.000 0.265 631 T C -0.159 174.480 174.700 -0.101 0.000 1.111 631 T CA 0.729 62.753 62.100 -0.126 0.000 1.118 631 T CB -0.081 68.679 68.868 -0.181 0.000 0.909 631 T HN 0.321 nan 8.240 nan 0.000 0.501 632 D N -0.251 120.094 120.400 -0.092 0.000 3.079 632 D HA -0.131 4.509 4.640 -0.001 0.000 0.214 632 D C -0.223 176.030 176.300 -0.078 0.000 1.145 632 D CA 0.625 54.581 54.000 -0.072 0.000 0.958 632 D CB -1.737 39.029 40.800 -0.057 0.000 1.117 632 D HN 0.430 nan 8.370 nan 0.000 0.416 633 L N 0.855 122.013 121.223 -0.108 0.000 2.332 633 L HA 0.351 4.691 4.340 -0.001 0.000 0.269 633 L C 0.903 177.702 176.870 -0.118 0.000 1.016 633 L CA -1.252 53.518 54.840 -0.118 0.000 0.809 633 L CB 0.861 42.820 42.059 -0.167 0.000 1.280 633 L HN -0.124 nan 8.230 nan 0.000 0.447 634 D N 0.662 121.001 120.400 -0.100 0.000 2.341 634 D HA -0.085 4.555 4.640 -0.001 0.000 0.233 634 D C 0.693 176.934 176.300 -0.098 0.000 1.270 634 D CA 0.244 54.195 54.000 -0.082 0.000 0.883 634 D CB 0.640 41.403 40.800 -0.061 0.000 1.207 634 D HN 0.590 nan 8.370 nan 0.000 0.471 635 A N 0.065 122.844 122.820 -0.067 0.000 2.072 635 A HA -0.101 4.219 4.320 -0.001 0.000 0.216 635 A C 1.885 179.440 177.584 -0.049 0.000 1.156 635 A CA 0.440 52.441 52.037 -0.059 0.000 0.701 635 A CB -0.349 18.629 19.000 -0.036 0.000 0.816 635 A HN 0.520 nan 8.150 nan 0.000 0.458 636 E N -0.138 120.038 120.200 -0.042 0.000 2.031 636 E HA -0.185 4.165 4.350 -0.001 0.000 0.193 636 E C 1.865 178.453 176.600 -0.020 0.000 0.994 636 E CA 1.164 57.554 56.400 -0.017 0.000 0.800 636 E CB -0.467 29.228 29.700 -0.009 0.000 0.752 636 E HN 0.496 nan 8.360 nan 0.000 0.447 637 L N 1.223 122.399 121.223 -0.078 0.000 2.095 637 L HA -0.092 4.247 4.340 -0.001 0.000 0.204 637 L C 2.614 179.278 176.870 -0.344 0.000 1.080 637 L CA 1.378 56.131 54.840 -0.145 0.000 0.759 637 L CB -0.430 41.503 42.059 -0.211 0.000 0.914 637 L HN 0.103 nan 8.230 nan 0.000 0.439 638 Q N -0.983 118.615 119.800 -0.337 0.000 2.197 638 Q HA -0.302 4.037 4.340 -0.001 0.000 0.207 638 Q C 2.151 178.095 176.000 -0.094 0.000 0.984 638 Q CA 2.092 57.702 55.803 -0.320 0.000 0.869 638 Q CB -0.012 28.603 28.738 -0.204 0.000 0.906 638 Q HN 0.629 nan 8.270 nan 0.000 0.426 639 Q N -0.252 119.543 119.800 -0.009 0.000 2.204 639 Q HA -0.130 4.209 4.340 -0.001 0.000 0.198 639 Q C 1.761 177.865 176.000 0.173 0.000 0.946 639 Q CA 0.827 56.679 55.803 0.082 0.000 0.859 639 Q CB 0.191 28.962 28.738 0.054 0.000 0.946 639 Q HN 0.550 nan 8.270 nan 0.000 0.474 640 Q N -0.973 118.945 119.800 0.197 0.000 2.541 640 Q HA -0.102 4.238 4.340 -0.001 0.000 0.215 640 Q C 0.552 176.819 176.000 0.445 0.000 0.977 640 Q CA 0.592 56.554 55.803 0.265 0.000 0.934 640 Q CB 0.088 28.969 28.738 0.238 0.000 0.988 640 Q HN 0.262 nan 8.270 nan 0.000 0.521 641 F N 0.036 120.067 119.950 0.134 0.000 2.437 641 F HA 0.170 4.697 4.527 -0.000 0.000 0.288 641 F C 1.378 177.349 175.800 0.286 0.000 1.085 641 F CA -0.131 57.996 58.000 0.212 0.000 1.430 641 F CB 0.025 39.163 39.000 0.229 0.000 1.120 641 F HN 0.054 nan 8.300 nan 0.000 0.556 642 L N -0.095 121.400 121.223 0.453 0.000 2.465 642 L HA -0.075 4.265 4.340 -0.001 0.000 0.224 642 L C 2.114 179.142 176.870 0.263 0.000 1.145 642 L CA 1.051 56.108 54.840 0.362 0.000 0.834 642 L CB -0.708 41.521 42.059 0.282 0.000 0.944 642 L HN 0.037 nan 8.230 nan 0.000 0.451 643 E N -0.154 120.181 120.200 0.226 0.000 2.021 643 E HA -0.131 4.218 4.350 -0.001 0.000 0.189 643 E C 1.960 178.633 176.600 0.121 0.000 0.980 643 E CA 0.810 57.303 56.400 0.156 0.000 0.803 643 E CB -0.154 29.628 29.700 0.137 0.000 0.766 643 E HN 0.455 nan 8.360 nan 0.000 0.449 644 E N 0.593 120.859 120.200 0.110 0.000 2.058 644 E HA -0.174 4.175 4.350 -0.001 0.000 0.194 644 E C 1.997 178.592 176.600 -0.007 0.000 0.997 644 E CA 0.690 57.106 56.400 0.026 0.000 0.801 644 E CB -0.472 29.201 29.700 -0.044 0.000 0.746 644 E HN 0.173 nan 8.360 nan 0.000 0.450 645 F N 1.866 121.728 119.950 -0.148 0.000 2.031 645 F HA -0.187 4.340 4.527 -0.001 0.000 0.295 645 F C 2.580 178.261 175.800 -0.199 0.000 1.133 645 F CA 2.079 59.893 58.000 -0.310 0.000 1.188 645 F CB -0.176 38.429 39.000 -0.658 0.000 0.974 645 F HN -0.012 nan 8.300 nan 0.000 0.473 646 E N 0.015 120.285 120.200 0.116 0.000 2.160 646 E HA -0.227 4.123 4.350 -0.001 0.000 0.195 646 E C 2.180 178.821 176.600 0.067 0.000 0.991 646 E CA 0.972 57.445 56.400 0.122 0.000 0.810 646 E CB -0.289 29.555 29.700 0.240 0.000 0.742 646 E HN 0.487 nan 8.360 nan 0.000 0.466 647 A N 0.684 123.523 122.820 0.032 0.000 1.851 647 A HA -0.133 4.187 4.320 -0.001 0.000 0.216 647 A C 2.457 180.021 177.584 -0.034 0.000 1.195 647 A CA 1.851 53.904 52.037 0.026 0.000 0.622 647 A CB -1.349 17.662 19.000 0.018 0.000 0.831 647 A HN 0.447 nan 8.150 nan 0.000 0.444 648 G N -0.847 107.871 108.800 -0.137 0.000 2.471 648 G HA2 -0.002 3.958 3.960 -0.001 0.000 0.219 648 G HA3 -0.002 3.958 3.960 -0.001 0.000 0.219 648 G C 1.408 176.137 174.900 -0.285 0.000 1.125 648 G CA 1.071 46.056 45.100 -0.193 0.000 0.775 648 G HN 0.479 nan 8.290 nan 0.000 0.548 649 L N -0.811 120.176 121.223 -0.394 0.000 2.072 649 L HA 0.186 4.526 4.340 -0.001 0.000 0.205 649 L C 1.864 178.456 176.870 -0.464 0.000 1.079 649 L CA 1.393 55.914 54.840 -0.532 0.000 0.752 649 L CB -0.393 41.271 42.059 -0.660 0.000 0.906 649 L HN 0.287 nan 8.230 nan 0.000 0.436 650 Y N -0.393 119.848 120.300 -0.098 0.000 2.524 650 Y HA 0.436 4.985 4.550 -0.001 0.000 0.266 650 Y C 1.418 177.313 175.900 -0.008 0.000 1.180 650 Y CA -0.192 57.884 58.100 -0.039 0.000 1.244 650 Y CB -0.152 38.297 38.460 -0.018 0.000 1.125 650 Y HN 0.195 nan 8.280 nan 0.000 0.524 651 G N -0.946 107.902 108.800 0.080 0.000 2.543 651 G HA2 0.071 4.031 3.960 -0.001 0.000 0.290 651 G HA3 0.071 4.031 3.960 -0.001 0.000 0.290 651 G C -1.068 173.930 174.900 0.163 0.000 1.310 651 G CA -0.327 44.836 45.100 0.104 0.000 1.025 651 G HN 0.062 nan 8.290 nan 0.000 0.502 652 Y N -0.919 119.406 120.300 0.042 0.000 2.394 652 Y HA 0.205 4.755 4.550 -0.001 0.000 0.351 652 Y C 1.972 177.913 175.900 0.069 0.000 1.272 652 Y CA 0.706 58.856 58.100 0.083 0.000 1.508 652 Y CB 1.335 39.865 38.460 0.118 0.000 1.369 652 Y HN 0.419 nan 8.280 nan 0.000 0.639 653 T N 2.270 116.704 114.554 -0.199 0.000 3.037 653 T HA 0.121 4.470 4.350 -0.001 0.000 0.251 653 T C -0.146 174.348 174.700 -0.344 0.000 1.079 653 T CA 0.254 62.177 62.100 -0.295 0.000 1.067 653 T CB -0.382 68.303 68.868 -0.306 0.000 0.948 653 T HN 0.377 nan 8.240 nan 0.000 0.496 654 Y N 0.876 120.901 120.300 -0.458 0.000 2.340 654 Y HA 0.565 5.114 4.550 -0.001 0.000 0.327 654 Y C 0.694 176.592 175.900 -0.004 0.000 1.321 654 Y CA -1.242 56.755 58.100 -0.171 0.000 1.433 654 Y CB 0.515 38.791 38.460 -0.306 0.000 1.373 654 Y HN -0.023 nan 8.280 nan 0.000 0.538 655 L N 0.983 122.317 121.223 0.185 0.000 2.456 655 L HA 0.272 4.612 4.340 -0.001 0.000 0.257 655 L C -0.015 176.939 176.870 0.141 0.000 1.162 655 L CA -0.748 54.167 54.840 0.126 0.000 0.808 655 L CB 0.407 42.517 42.059 0.086 0.000 1.136 655 L HN 0.452 nan 8.230 nan 0.000 0.466 656 E N 0.853 121.112 120.200 0.099 0.000 2.175 656 E HA 0.090 4.440 4.350 -0.001 0.000 0.278 656 E C -1.090 175.555 176.600 0.076 0.000 0.969 656 E CA -0.641 55.816 56.400 0.094 0.000 0.796 656 E CB 1.459 31.203 29.700 0.072 0.000 1.104 656 E HN 0.361 nan 8.360 nan 0.000 0.395 657 D N 2.777 123.229 120.400 0.086 0.000 2.433 657 D HA -0.093 4.547 4.640 -0.001 0.000 0.274 657 D C 0.277 176.621 176.300 0.073 0.000 1.344 657 D CA 0.614 54.667 54.000 0.089 0.000 0.989 657 D CB 0.277 41.137 40.800 0.101 0.000 1.116 657 D HN 0.199 nan 8.370 nan 0.000 0.533 658 E N 2.365 122.591 120.200 0.043 0.000 4.126 658 E HA 0.393 4.743 4.350 -0.001 0.000 0.314 658 E C -0.591 176.020 176.600 0.018 0.000 1.438 658 E CA -0.474 55.932 56.400 0.011 0.000 1.682 658 E CB 0.390 30.069 29.700 -0.035 0.000 1.454 658 E HN 0.322 nan 8.360 nan 0.000 0.810 659 L N 2.102 123.306 121.223 -0.031 0.000 2.551 659 L HA 0.276 4.616 4.340 -0.001 0.000 0.248 659 L C -1.079 175.712 176.870 -0.131 0.000 1.509 659 L CA 0.280 55.117 54.840 -0.005 0.000 0.842 659 L CB 0.422 42.531 42.059 0.084 0.000 1.087 659 L HN 0.566 nan 8.230 nan 0.000 0.512 660 E N 1.688 121.640 120.200 -0.415 0.000 2.597 660 E HA 0.307 4.657 4.350 -0.001 0.000 0.235 660 E C -0.569 175.767 176.600 -0.440 0.000 1.155 660 E CA -0.172 56.030 56.400 -0.330 0.000 1.199 660 E CB 0.646 30.181 29.700 -0.274 0.000 1.409 660 E HN 0.423 nan 8.360 nan 0.000 0.453 661 H N 0.000 119.102 119.070 0.054 0.000 2.539 661 H HA 0.000 4.556 4.556 -0.001 0.000 0.296 661 H CA 0.000 56.091 56.048 0.072 0.000 1.023 661 H CB 0.000 29.813 29.762 0.085 0.000 1.292 661 H HN 0.000 nan 8.280 nan 0.000 0.496