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 1kfu_1_L DATA FIRST_RESID 2 DATA SEQUENCE AGIAAKLAKD REAAEGLGSH ERAIKYLNQD YEALRNECLE AGTLFQDPSF DATA SEQUENCE PAIPSALGFK ELGPYSSKTR GMRWKRPTEI CADPQFIIGG ATRTDICQGA DATA SEQUENCE LGDCWLLAAI ASLTLNEEIL ARVVPLNQSF QENYAGIFHF QFWQYGEWVE DATA SEQUENCE VVVDDRLPTK DGELLFVHSA EGSEFWSALL EKAYAKINGC YEALSGGATT DATA SEQUENCE EGFEDFTGGI AEWYELKKPP PNLFKIIQKA LQKGSLLGCS IDITSAADSE DATA SEQUENCE AITFQKLVKG HAYSVTGAEE VESNGSLQKL IRIRNPWGEV EWTGRWNDNC DATA SEQUENCE PSWNTIDPEE RERLTRRHED GEFWMSFSDF LRHYSRLEIC NLTPDTLTSD DATA SEQUENCE TYKKWKLTKM DGNWRRGSTA GGCRNYPNTF WMNPQYLIKL EEEDEDEEDG DATA SEQUENCE ESGCTFLVGL IQKHRRRQRK MGEDMHTIGF GIYEVPEELS GQTNIHLSKN DATA SEQUENCE FFLTNRARER SDTFINLREV LNRFKLPPGE YILVPSTFEP NKDGDFCIRV DATA SEQUENCE FSEKKADYQA VDDEIEANLE EFDISEDDID DGVRRLFAQL AGEDAEISAF DATA SEQUENCE ELQTILRRVL AKRQDIKSDG FSIETCKIMV DMLDSDGSGK LGLKEFYILW DATA SEQUENCE TKIQKYQKIY REIDVDRSGT MNSYEMRKAL EEAGFKMPCQ LHQVIVARFA DATA SEQUENCE DDQLIIDFDN FVRCLVRLET LFKIFKQLDP ENTGTIELDL ISWLCFSVL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.580 177.584 -0.006 0.000 1.274 2 A CA 0.000 52.032 52.037 -0.008 0.000 0.836 2 A CB 0.000 18.996 19.000 -0.006 0.000 0.831 3 G N 0.902 109.695 108.800 -0.011 0.000 2.712 3 G HA2 0.209 4.172 3.960 0.006 0.000 0.686 3 G HA3 0.209 4.172 3.960 0.006 0.000 0.686 3 G C 0.348 175.242 174.900 -0.011 0.000 1.321 3 G CA 0.218 45.313 45.100 -0.008 0.000 0.813 3 G HN 2.180 nan 8.290 nan 0.000 0.599 4 I N -1.076 119.487 120.570 -0.013 0.000 2.567 4 I HA 0.223 4.397 4.170 0.006 0.000 0.257 4 I C 2.764 178.866 176.117 -0.023 0.000 1.184 4 I CA 2.300 63.587 61.300 -0.022 0.000 1.451 4 I CB -0.777 37.207 38.000 -0.027 0.000 1.089 4 I HN 1.156 nan 8.210 nan 0.000 0.441 5 A N 0.901 123.714 122.820 -0.012 0.000 2.125 5 A HA 0.138 4.461 4.320 0.006 0.000 0.219 5 A C 2.483 180.047 177.584 -0.033 0.000 1.156 5 A CA 1.609 53.629 52.037 -0.029 0.000 0.671 5 A CB -0.829 18.162 19.000 -0.014 0.000 0.794 5 A HN 0.574 nan 8.150 nan 0.000 0.459 6 A N -0.536 122.271 122.820 -0.022 0.000 1.887 6 A HA 0.055 4.379 4.320 0.006 0.000 0.212 6 A C 2.037 179.606 177.584 -0.025 0.000 1.198 6 A CA 1.201 53.226 52.037 -0.021 0.000 0.628 6 A CB -0.205 18.787 19.000 -0.014 0.000 0.847 6 A HN 0.247 nan 8.150 nan 0.000 0.449 7 K N 0.275 120.659 120.400 -0.028 0.000 2.155 7 K HA 0.078 4.401 4.320 0.006 0.000 0.203 7 K C 1.848 178.425 176.600 -0.038 0.000 1.052 7 K CA 0.812 57.080 56.287 -0.033 0.000 0.948 7 K CB -0.655 31.822 32.500 -0.038 0.000 0.728 7 K HN 0.530 nan 8.250 nan 0.000 0.448 8 L N 0.418 121.615 121.223 -0.042 0.000 2.017 8 L HA -0.144 4.200 4.340 0.006 0.000 0.208 8 L C 2.537 179.380 176.870 -0.045 0.000 1.073 8 L CA 1.300 56.111 54.840 -0.049 0.000 0.745 8 L CB -0.729 41.294 42.059 -0.059 0.000 0.894 8 L HN 0.067 nan 8.230 nan 0.000 0.432 9 A N -0.150 122.644 122.820 -0.044 0.000 1.908 9 A HA -0.239 4.085 4.320 0.006 0.000 0.218 9 A C 2.436 180.003 177.584 -0.027 0.000 1.181 9 A CA 1.784 53.797 52.037 -0.040 0.000 0.627 9 A CB -0.441 18.536 19.000 -0.039 0.000 0.818 9 A HN 0.198 nan 8.150 nan 0.000 0.445 10 K N -0.249 120.137 120.400 -0.023 0.000 2.155 10 K HA -0.131 4.192 4.320 0.006 0.000 0.203 10 K C 0.982 177.573 176.600 -0.015 0.000 1.052 10 K CA 1.467 57.745 56.287 -0.014 0.000 0.948 10 K CB -0.349 32.144 32.500 -0.012 0.000 0.728 10 K HN 0.410 nan 8.250 nan 0.000 0.448 11 D N 0.325 120.711 120.400 -0.023 0.000 2.224 11 D HA -0.071 4.572 4.640 0.006 0.000 0.205 11 D C 2.034 178.323 176.300 -0.017 0.000 0.965 11 D CA 0.688 54.674 54.000 -0.023 0.000 0.852 11 D CB 0.092 40.871 40.800 -0.034 0.000 0.947 11 D HN 0.202 nan 8.370 nan 0.000 0.494 12 R N 0.592 121.080 120.500 -0.020 0.000 2.062 12 R HA -0.042 4.301 4.340 0.006 0.000 0.229 12 R C 2.127 178.423 176.300 -0.008 0.000 1.128 12 R CA 0.744 56.834 56.100 -0.017 0.000 0.960 12 R CB 0.009 30.294 30.300 -0.025 0.000 0.855 12 R HN 0.132 nan 8.270 nan 0.000 0.432 13 E N 0.793 120.990 120.200 -0.006 0.000 2.058 13 E HA -0.211 4.143 4.350 0.006 0.000 0.194 13 E C 2.061 178.668 176.600 0.012 0.000 0.997 13 E CA 1.501 57.902 56.400 0.002 0.000 0.801 13 E CB -0.279 29.423 29.700 0.004 0.000 0.746 13 E HN 0.337 nan 8.360 nan 0.000 0.450 14 A N 1.634 124.462 122.820 0.013 0.000 1.883 14 A HA -0.164 4.160 4.320 0.006 0.000 0.217 14 A C 2.454 180.053 177.584 0.026 0.000 1.186 14 A CA 2.392 54.443 52.037 0.023 0.000 0.624 14 A CB -0.686 18.323 19.000 0.015 0.000 0.822 14 A HN 0.291 nan 8.150 nan 0.000 0.444 15 A N 0.478 123.307 122.820 0.016 0.000 1.972 15 A HA -0.163 4.161 4.320 0.006 0.000 0.219 15 A C 1.940 179.535 177.584 0.019 0.000 1.169 15 A CA 1.733 53.780 52.037 0.017 0.000 0.635 15 A CB -0.570 18.434 19.000 0.007 0.000 0.810 15 A HN 0.829 nan 8.150 nan 0.000 0.446 16 E N -2.123 118.086 120.200 0.014 0.000 2.371 16 E HA 0.308 4.662 4.350 0.006 0.000 0.194 16 E C 0.997 177.609 176.600 0.020 0.000 1.012 16 E CA 0.715 57.123 56.400 0.013 0.000 0.860 16 E CB -0.090 29.614 29.700 0.006 0.000 0.811 16 E HN 0.663 nan 8.360 nan 0.000 0.502 17 G N 0.867 109.684 108.800 0.029 0.000 2.507 17 G HA2 -0.119 3.845 3.960 0.006 0.000 0.205 17 G HA3 -0.119 3.845 3.960 0.006 0.000 0.205 17 G C -0.394 174.534 174.900 0.046 0.000 0.996 17 G CA -0.178 44.945 45.100 0.039 0.000 0.776 17 G HN 0.177 nan 8.290 nan 0.000 0.532 18 L N 1.324 122.572 121.223 0.043 0.000 2.349 18 L HA 0.668 5.012 4.340 0.006 0.000 0.275 18 L C 1.482 178.395 176.870 0.072 0.000 1.115 18 L CA 1.833 56.703 54.840 0.050 0.000 0.820 18 L CB 1.268 43.349 42.059 0.036 0.000 1.135 18 L HN 1.292 nan 8.230 nan 0.000 0.445 19 G N 1.936 110.796 108.800 0.098 0.000 2.194 19 G HA2 -0.251 3.713 3.960 0.006 0.000 0.236 19 G HA3 -0.251 3.713 3.960 0.006 0.000 0.236 19 G C 0.214 175.260 174.900 0.243 0.000 0.987 19 G CA 0.237 45.418 45.100 0.135 0.000 0.635 19 G HN 1.081 nan 8.290 nan 0.000 0.520 20 S N -0.468 115.352 115.700 0.199 0.000 2.601 20 S HA 0.513 4.987 4.470 0.006 0.000 0.271 20 S C 1.171 175.855 174.600 0.141 0.000 1.305 20 S CA 0.454 58.795 58.200 0.234 0.000 1.022 20 S CB 1.394 64.675 63.200 0.136 0.000 0.940 20 S HN 0.375 nan 8.310 nan 0.000 0.525 21 H N 2.123 121.120 119.070 -0.121 0.000 2.357 21 H HA -0.218 4.341 4.556 0.006 0.000 0.296 21 H C 1.932 177.109 175.328 -0.251 0.000 1.108 21 H CA 2.743 58.456 56.048 -0.559 0.000 1.273 21 H CB -0.103 29.165 29.762 -0.824 0.000 1.367 21 H HN 0.985 nan 8.280 nan 0.000 0.498 22 E N 0.555 120.710 120.200 -0.075 0.000 2.077 22 E HA -0.130 4.224 4.350 0.006 0.000 0.193 22 E C 1.288 177.851 176.600 -0.061 0.000 0.989 22 E CA 1.029 57.393 56.400 -0.060 0.000 0.800 22 E CB -0.086 29.609 29.700 -0.008 0.000 0.746 22 E HN 0.164 nan 8.360 nan 0.000 0.452 23 R N 0.879 121.367 120.500 -0.020 0.000 3.194 23 R HA 0.436 4.780 4.340 0.006 0.000 0.306 23 R C -0.918 175.401 176.300 0.031 0.000 1.347 23 R CA -0.210 55.891 56.100 0.003 0.000 1.540 23 R CB 1.037 31.349 30.300 0.021 0.000 1.352 23 R HN 0.226 nan 8.270 nan 0.000 0.621 24 A N 1.774 124.599 122.820 0.008 0.000 2.555 24 A HA 0.078 4.402 4.320 0.006 0.000 0.233 24 A C 0.646 178.287 177.584 0.095 0.000 1.060 24 A CA 0.088 52.176 52.037 0.084 0.000 0.759 24 A CB 0.174 19.199 19.000 0.042 0.000 0.995 24 A HN 0.518 nan 8.150 nan 0.000 0.506 25 I N 1.326 121.972 120.570 0.127 0.000 2.634 25 I HA 0.089 4.262 4.170 0.006 0.000 0.284 25 I C 0.502 176.702 176.117 0.139 0.000 1.124 25 I CA 0.203 61.571 61.300 0.114 0.000 1.417 25 I CB 0.554 38.621 38.000 0.111 0.000 1.396 25 I HN 0.582 nan 8.210 nan 0.000 0.571 26 K N 5.760 126.235 120.400 0.126 0.000 2.268 26 K HA 0.202 4.526 4.320 0.006 0.000 0.276 26 K C -0.670 176.050 176.600 0.201 0.000 1.080 26 K CA -0.672 55.705 56.287 0.149 0.000 0.910 26 K CB 0.612 33.168 32.500 0.093 0.000 1.163 26 K HN 0.321 nan 8.250 nan 0.000 0.465 27 Y N 3.535 123.894 120.300 0.098 0.000 2.717 27 Y HA -0.144 4.409 4.550 0.005 0.000 0.330 27 Y C 0.870 176.820 175.900 0.084 0.000 1.217 27 Y CA 0.245 58.401 58.100 0.095 0.000 1.506 27 Y CB 0.043 38.575 38.460 0.119 0.000 1.268 27 Y HN 0.611 nan 8.280 nan 0.000 0.561 28 L N 4.826 125.838 121.223 -0.351 0.000 3.737 28 L HA -0.486 3.858 4.340 0.006 0.000 0.418 28 L C 0.679 177.497 176.870 -0.087 0.000 1.216 28 L CA 0.798 55.461 54.840 -0.294 0.000 0.915 28 L CB -1.554 40.271 42.059 -0.391 0.000 1.834 28 L HN 0.844 nan 8.230 nan 0.000 0.943 29 N N -0.564 118.121 118.700 -0.025 0.000 2.678 29 N HA -0.217 4.527 4.740 0.006 0.000 0.249 29 N C 0.406 175.925 175.510 0.014 0.000 1.119 29 N CA 1.480 54.533 53.050 0.004 0.000 0.718 29 N CB -0.393 38.089 38.487 -0.008 0.000 1.060 29 N HN 0.718 nan 8.380 nan 0.000 0.552 30 Q N 0.330 120.153 119.800 0.038 0.000 2.261 30 Q HA 0.231 4.575 4.340 0.006 0.000 0.252 30 Q C -0.280 175.735 176.000 0.026 0.000 0.915 30 Q CA -0.116 55.713 55.803 0.043 0.000 0.915 30 Q CB 1.293 30.091 28.738 0.101 0.000 1.204 30 Q HN 0.064 nan 8.270 nan 0.000 0.421 31 D N 1.753 122.132 120.400 -0.036 0.000 2.414 31 D HA 0.020 4.664 4.640 0.006 0.000 0.232 31 D C 0.075 176.291 176.300 -0.139 0.000 1.070 31 D CA -0.262 53.701 54.000 -0.061 0.000 0.839 31 D CB 0.763 41.514 40.800 -0.082 0.000 1.079 31 D HN 0.613 nan 8.370 nan 0.000 0.521 32 Y N 4.705 124.872 120.300 -0.222 0.000 2.114 32 Y HA -0.236 4.318 4.550 0.006 0.000 0.282 32 Y C 1.590 177.267 175.900 -0.372 0.000 1.165 32 Y CA 1.991 59.885 58.100 -0.344 0.000 1.148 32 Y CB 0.250 38.433 38.460 -0.462 0.000 0.972 32 Y HN 0.471 nan 8.280 nan 0.000 0.504 33 E N 0.178 120.025 120.200 -0.588 0.000 2.028 33 E HA -0.145 4.208 4.350 0.006 0.000 0.191 33 E C 2.490 178.819 176.600 -0.451 0.000 0.988 33 E CA 0.884 56.915 56.400 -0.614 0.000 0.799 33 E CB -0.481 29.030 29.700 -0.314 0.000 0.755 33 E HN 0.539 nan 8.360 nan 0.000 0.447 34 A N 1.829 124.467 122.820 -0.303 0.000 1.884 34 A HA -0.225 4.099 4.320 0.006 0.000 0.219 34 A C 2.291 179.710 177.584 -0.276 0.000 1.197 34 A CA 1.534 53.431 52.037 -0.234 0.000 0.637 34 A CB -0.956 17.946 19.000 -0.162 0.000 0.827 34 A HN 0.143 nan 8.150 nan 0.000 0.450 35 L N -1.276 119.738 121.223 -0.348 0.000 2.083 35 L HA -0.167 4.177 4.340 0.006 0.000 0.209 35 L C 2.825 179.415 176.870 -0.466 0.000 1.083 35 L CA 1.753 56.339 54.840 -0.423 0.000 0.752 35 L CB -0.562 41.101 42.059 -0.660 0.000 0.899 35 L HN 0.510 nan 8.230 nan 0.000 0.433 36 R N 0.445 120.601 120.500 -0.573 0.000 2.073 36 R HA -0.152 4.192 4.340 0.006 0.000 0.229 36 R C 2.154 178.227 176.300 -0.378 0.000 1.120 36 R CA 1.351 57.123 56.100 -0.547 0.000 0.967 36 R CB -0.251 29.556 30.300 -0.822 0.000 0.862 36 R HN 0.386 nan 8.270 nan 0.000 0.436 37 N N 0.942 119.431 118.700 -0.352 0.000 2.084 37 N HA -0.242 4.502 4.740 0.006 0.000 0.190 37 N C 1.691 177.090 175.510 -0.184 0.000 1.030 37 N CA 1.710 54.615 53.050 -0.242 0.000 0.849 37 N CB -0.086 38.272 38.487 -0.214 0.000 1.012 37 N HN 0.424 nan 8.380 nan 0.000 0.423 38 E N 0.306 120.398 120.200 -0.179 0.000 2.070 38 E HA -0.191 4.162 4.350 0.006 0.000 0.197 38 E C 2.035 178.572 176.600 -0.106 0.000 1.004 38 E CA 1.574 57.899 56.400 -0.124 0.000 0.805 38 E CB -0.079 29.553 29.700 -0.112 0.000 0.744 38 E HN 0.412 nan 8.360 nan 0.000 0.451 39 C N 0.320 119.543 119.300 -0.129 0.000 2.450 39 C HA -0.015 4.448 4.460 0.006 0.000 0.279 39 C C 2.526 177.450 174.990 -0.111 0.000 1.335 39 C CA -0.167 58.791 59.018 -0.100 0.000 1.749 39 C CB -0.912 26.764 27.740 -0.107 0.000 1.963 39 C HN 0.458 nan 8.230 nan 0.000 0.501 40 L N 1.348 122.486 121.223 -0.142 0.000 2.012 40 L HA -0.147 4.196 4.340 0.006 0.000 0.210 40 L C 2.474 179.293 176.870 -0.085 0.000 1.073 40 L CA 1.815 56.581 54.840 -0.122 0.000 0.748 40 L CB -0.975 40.999 42.059 -0.143 0.000 0.891 40 L HN 0.434 nan 8.230 nan 0.000 0.431 41 E N -0.734 119.415 120.200 -0.085 0.000 1.998 41 E HA -0.192 4.161 4.350 0.006 0.000 0.196 41 E C 1.950 178.521 176.600 -0.047 0.000 1.003 41 E CA 1.137 57.500 56.400 -0.062 0.000 0.829 41 E CB -0.467 29.194 29.700 -0.064 0.000 0.777 41 E HN 0.434 nan 8.360 nan 0.000 0.460 42 A N 0.963 123.757 122.820 -0.044 0.000 2.285 42 A HA 0.012 4.335 4.320 0.006 0.000 0.214 42 A C 1.431 179.001 177.584 -0.025 0.000 1.188 42 A CA 0.965 52.984 52.037 -0.030 0.000 0.707 42 A CB -1.230 17.755 19.000 -0.026 0.000 0.771 42 A HN 0.434 nan 8.150 nan 0.000 0.488 43 G N -0.185 108.596 108.800 -0.031 0.000 2.370 43 G HA2 -0.076 3.887 3.960 0.006 0.000 0.293 43 G HA3 -0.076 3.887 3.960 0.006 0.000 0.293 43 G C 0.235 175.126 174.900 -0.015 0.000 0.992 43 G CA 0.991 46.079 45.100 -0.020 0.000 1.247 43 G HN 1.661 nan 8.290 nan 0.000 0.505 44 T N -2.421 112.116 114.554 -0.029 0.000 2.671 44 T HA 0.770 5.124 4.350 0.006 0.000 0.300 44 T C -0.284 174.388 174.700 -0.047 0.000 1.238 44 T CA -1.149 60.938 62.100 -0.021 0.000 1.020 44 T CB 1.958 70.820 68.868 -0.010 0.000 1.503 44 T HN 0.607 nan 8.240 nan 0.000 0.497 45 L N 0.596 121.802 121.223 -0.029 0.000 2.342 45 L HA 0.646 4.990 4.340 0.006 0.000 0.271 45 L C -0.702 176.189 176.870 0.035 0.000 1.008 45 L CA -1.165 53.642 54.840 -0.055 0.000 0.818 45 L CB 1.587 43.620 42.059 -0.043 0.000 1.296 45 L HN 0.639 nan 8.230 nan 0.000 0.427 46 F N 2.417 122.287 119.950 -0.133 0.000 2.504 46 F HA 0.152 4.683 4.527 0.006 0.000 0.369 46 F C 0.018 175.811 175.800 -0.011 0.000 1.082 46 F CA -0.068 57.889 58.000 -0.071 0.000 1.216 46 F CB 0.356 39.311 39.000 -0.074 0.000 1.108 46 F HN 0.379 nan 8.300 nan 0.000 0.554 47 Q N 5.154 124.613 119.800 -0.569 0.000 2.401 47 Q HA 0.104 4.448 4.340 0.006 0.000 0.260 47 Q C -1.084 174.319 176.000 -0.995 0.000 1.034 47 Q CA -0.862 54.603 55.803 -0.563 0.000 0.737 47 Q CB 1.316 29.894 28.738 -0.267 0.000 1.227 47 Q HN 0.558 nan 8.270 nan 0.000 0.488 48 D N 4.495 124.226 120.400 -1.114 0.000 2.434 48 D HA -0.002 4.642 4.640 0.006 0.000 0.252 48 D C -1.454 174.669 176.300 -0.295 0.000 1.185 48 D CA -1.340 52.166 54.000 -0.822 0.000 0.886 48 D CB 1.160 41.812 40.800 -0.247 0.000 1.148 48 D HN 0.275 nan 8.370 nan 0.000 0.483 49 P HA 0.035 nan 4.420 nan 0.000 0.245 49 P C 0.419 177.726 177.300 0.012 0.000 1.206 49 P CA 0.132 63.203 63.100 -0.048 0.000 0.781 49 P CB 0.560 32.263 31.700 0.004 0.000 0.994 50 S N -1.472 114.273 115.700 0.074 0.000 2.523 50 S HA 0.218 4.692 4.470 0.006 0.000 0.217 50 S C 0.107 174.857 174.600 0.250 0.000 0.996 50 S CA -0.136 58.132 58.200 0.114 0.000 0.921 50 S CB -0.094 63.165 63.200 0.098 0.000 0.829 50 S HN 0.053 nan 8.310 nan 0.000 0.495 51 F N 2.376 122.309 119.950 -0.028 0.000 2.824 51 F HA 0.404 4.935 4.527 0.007 0.000 0.368 51 F C -3.113 172.610 175.800 -0.129 0.000 1.398 51 F CA -2.491 55.491 58.000 -0.031 0.000 1.142 51 F CB 0.459 39.483 39.000 0.041 0.000 1.997 51 F HN -0.129 nan 8.300 nan 0.000 0.598 52 P HA 0.080 nan 4.420 nan 0.000 0.266 52 P C 0.054 176.921 177.300 -0.721 0.000 1.193 52 P CA 0.251 63.109 63.100 -0.403 0.000 0.770 52 P CB 0.845 32.373 31.700 -0.286 0.000 0.836 53 A N 3.426 125.734 122.820 -0.853 0.000 2.426 53 A HA 0.135 4.458 4.320 0.006 0.000 0.247 53 A C 0.900 177.695 177.584 -1.316 0.000 1.389 53 A CA -0.107 50.901 52.037 -1.715 0.000 1.129 53 A CB -1.606 16.569 19.000 -1.376 0.000 0.928 53 A HN 0.539 nan 8.150 nan 0.000 0.557 54 I N -5.077 115.081 120.570 -0.687 0.000 3.078 54 I HA 0.438 4.611 4.170 0.006 0.000 0.318 54 I C -2.054 174.048 176.117 -0.025 0.000 1.016 54 I CA -2.593 58.551 61.300 -0.259 0.000 1.130 54 I CB 0.479 38.368 38.000 -0.185 0.000 1.397 54 I HN -0.149 nan 8.210 nan 0.000 0.570 55 P HA -0.020 nan 4.420 nan 0.000 0.223 55 P C 1.307 178.696 177.300 0.149 0.000 1.151 55 P CA 1.034 64.229 63.100 0.159 0.000 0.787 55 P CB 0.162 31.927 31.700 0.108 0.000 0.788 56 S N -0.570 115.177 115.700 0.079 0.000 2.481 56 S HA -0.024 4.450 4.470 0.006 0.000 0.231 56 S C 1.926 176.595 174.600 0.115 0.000 0.996 56 S CA 1.022 59.282 58.200 0.100 0.000 0.942 56 S CB -0.660 62.566 63.200 0.043 0.000 0.768 56 S HN 0.162 nan 8.310 nan 0.000 0.520 57 A N 1.238 124.063 122.820 0.008 0.000 1.970 57 A HA 0.203 4.526 4.320 0.006 0.000 0.216 57 A C 1.994 179.800 177.584 0.371 0.000 1.170 57 A CA 0.661 52.641 52.037 -0.095 0.000 0.645 57 A CB -0.383 18.214 19.000 -0.673 0.000 0.816 57 A HN 0.434 nan 8.150 nan 0.000 0.447 58 L N -1.591 119.854 121.223 0.370 0.000 2.068 58 L HA 0.285 4.628 4.340 0.006 0.000 0.204 58 L C 1.476 178.557 176.870 0.353 0.000 1.076 58 L CA 0.890 55.946 54.840 0.360 0.000 0.753 58 L CB -0.366 41.849 42.059 0.260 0.000 0.910 58 L HN 0.560 nan 8.230 nan 0.000 0.439 59 G N -1.020 107.973 108.800 0.321 0.000 2.348 59 G HA2 0.263 4.227 3.960 0.006 0.000 0.296 59 G HA3 0.263 4.227 3.960 0.006 0.000 0.296 59 G C -1.691 173.485 174.900 0.460 0.000 1.258 59 G CA -0.544 44.794 45.100 0.396 0.000 0.868 59 G HN 0.041 nan 8.290 nan 0.000 0.488 60 F N -0.282 119.737 119.950 0.114 0.000 2.453 60 F HA 0.725 5.256 4.527 0.007 0.000 0.358 60 F C 0.578 176.437 175.800 0.097 0.000 1.129 60 F CA -1.026 57.034 58.000 0.099 0.000 1.200 60 F CB 1.409 40.462 39.000 0.088 0.000 1.431 60 F HN 0.576 nan 8.300 nan 0.000 0.503 61 K N 1.776 122.246 120.400 0.118 0.000 3.278 61 K HA -0.296 4.027 4.320 0.006 0.000 0.270 61 K C 0.270 176.849 176.600 -0.036 0.000 0.955 61 K CA 1.406 57.736 56.287 0.071 0.000 0.723 61 K CB -0.484 32.097 32.500 0.135 0.000 1.382 61 K HN 0.903 nan 8.250 nan 0.000 0.461 62 E N -0.144 120.006 120.200 -0.084 0.000 2.410 62 E HA 0.139 4.492 4.350 0.006 0.000 0.188 62 E C -0.189 176.373 176.600 -0.064 0.000 0.980 62 E CA 0.302 56.636 56.400 -0.110 0.000 1.513 62 E CB 0.304 29.870 29.700 -0.224 0.000 2.654 62 E HN 0.249 nan 8.360 nan 0.000 1.016 63 L N 0.225 121.426 121.223 -0.037 0.000 3.766 63 L HA 0.556 4.900 4.340 0.006 0.000 0.370 63 L C 0.234 177.158 176.870 0.090 0.000 1.320 63 L CA 0.472 55.336 54.840 0.040 0.000 1.098 63 L CB 0.888 42.996 42.059 0.082 0.000 1.405 63 L HN 0.183 nan 8.230 nan 0.000 0.608 64 G N -0.798 108.042 108.800 0.068 0.000 2.753 64 G HA2 0.528 4.492 3.960 0.006 0.000 0.285 64 G HA3 0.528 4.492 3.960 0.006 0.000 0.285 64 G C -1.966 173.005 174.900 0.118 0.000 1.344 64 G CA -0.749 44.426 45.100 0.125 0.000 1.050 64 G HN -0.032 nan 8.290 nan 0.000 0.532 65 P HA -0.076 nan 4.420 nan 0.000 0.222 65 P C 0.625 177.950 177.300 0.042 0.000 1.147 65 P CA 1.053 64.196 63.100 0.072 0.000 0.790 65 P CB 0.148 31.879 31.700 0.052 0.000 0.780 66 Y N -0.703 119.623 120.300 0.043 0.000 2.503 66 Y HA 0.223 4.777 4.550 0.006 0.000 0.277 66 Y C 1.476 177.387 175.900 0.019 0.000 1.102 66 Y CA 0.290 58.408 58.100 0.029 0.000 1.261 66 Y CB -0.139 38.337 38.460 0.026 0.000 1.096 66 Y HN -0.179 nan 8.280 nan 0.000 0.546 67 S N -0.064 115.743 115.700 0.179 0.000 2.560 67 S HA 0.003 4.476 4.470 0.006 0.000 0.284 67 S C 1.610 176.245 174.600 0.059 0.000 1.327 67 S CA 0.328 58.585 58.200 0.096 0.000 1.055 67 S CB 0.593 63.828 63.200 0.059 0.000 0.868 67 S HN 0.544 nan 8.310 nan 0.000 0.506 68 S N 5.124 120.848 115.700 0.039 0.000 2.356 68 S HA -0.152 4.322 4.470 0.006 0.000 0.223 68 S C 1.701 176.298 174.600 -0.005 0.000 1.032 68 S CA 1.140 59.350 58.200 0.016 0.000 1.005 68 S CB -0.539 62.664 63.200 0.006 0.000 0.867 68 S HN 0.811 nan 8.310 nan 0.000 0.449 69 K N 1.044 121.433 120.400 -0.017 0.000 2.071 69 K HA -0.169 4.154 4.320 0.006 0.000 0.217 69 K C 1.853 178.425 176.600 -0.047 0.000 1.054 69 K CA 2.006 58.266 56.287 -0.044 0.000 0.937 69 K CB -1.017 31.454 32.500 -0.047 0.000 0.719 69 K HN 0.762 nan 8.250 nan 0.000 0.454 70 T N -0.716 113.831 114.554 -0.011 0.000 3.268 70 T HA 0.190 4.544 4.350 0.006 0.000 0.244 70 T C -0.001 174.706 174.700 0.012 0.000 0.915 70 T CA -0.505 61.594 62.100 -0.001 0.000 0.935 70 T CB -0.070 68.829 68.868 0.051 0.000 1.110 70 T HN 0.040 nan 8.240 nan 0.000 0.573 71 R N 0.153 120.650 120.500 -0.004 0.000 2.393 71 R HA 0.533 4.877 4.340 0.006 0.000 0.310 71 R C 1.002 177.298 176.300 -0.007 0.000 0.968 71 R CA 0.196 56.298 56.100 0.004 0.000 0.867 71 R CB 0.604 30.907 30.300 0.006 0.000 1.124 71 R HN 0.479 nan 8.270 nan 0.000 0.450 72 G N 3.837 112.640 108.800 0.006 0.000 2.249 72 G HA2 -0.294 3.670 3.960 0.006 0.000 0.273 72 G HA3 -0.294 3.670 3.960 0.006 0.000 0.273 72 G C -0.166 174.726 174.900 -0.013 0.000 1.036 72 G CA 0.924 46.026 45.100 0.002 0.000 0.824 72 G HN 0.551 nan 8.290 nan 0.000 0.504 73 M N -0.825 118.762 119.600 -0.022 0.000 2.294 73 M HA 0.868 5.352 4.480 0.006 0.000 0.335 73 M C -0.094 176.167 176.300 -0.065 0.000 1.079 73 M CA -1.172 54.081 55.300 -0.077 0.000 0.982 73 M CB 1.684 34.195 32.600 -0.149 0.000 1.651 73 M HN -0.018 nan 8.290 nan 0.000 0.437 74 R N 1.709 122.176 120.500 -0.055 0.000 2.297 74 R HA 0.417 4.761 4.340 0.006 0.000 0.308 74 R C -1.667 174.626 176.300 -0.011 0.000 1.029 74 R CA -0.373 55.748 56.100 0.034 0.000 0.929 74 R CB -0.036 30.299 30.300 0.057 0.000 1.046 74 R HN 0.716 nan 8.270 nan 0.000 0.461 75 W N 3.273 124.599 121.300 0.042 0.000 2.581 75 W HA 0.258 4.922 4.660 0.006 0.000 0.359 75 W C 0.043 176.608 176.519 0.077 0.000 1.167 75 W CA -0.247 57.139 57.345 0.067 0.000 1.517 75 W CB 0.180 29.675 29.460 0.059 0.000 1.519 75 W HN 0.284 nan 8.180 nan 0.000 0.431 76 K N 3.245 123.768 120.400 0.204 0.000 2.123 76 K HA 0.529 4.852 4.320 0.006 0.000 0.259 76 K C 0.546 177.261 176.600 0.193 0.000 0.960 76 K CA -0.971 55.417 56.287 0.169 0.000 0.872 76 K CB 1.724 34.282 32.500 0.097 0.000 1.079 76 K HN 0.252 nan 8.250 nan 0.000 0.440 77 R N 1.728 122.336 120.500 0.180 0.000 2.553 77 R HA 0.168 4.512 4.340 0.006 0.000 0.263 77 R C -1.913 174.398 176.300 0.017 0.000 1.066 77 R CA -1.989 54.231 56.100 0.199 0.000 1.135 77 R CB 0.207 30.685 30.300 0.295 0.000 1.148 77 R HN 0.308 nan 8.270 nan 0.000 0.558 78 P HA -0.157 nan 4.420 nan 0.000 0.220 78 P C 1.129 178.139 177.300 -0.482 0.000 1.148 78 P CA 1.480 64.141 63.100 -0.732 0.000 0.803 78 P CB 0.059 31.033 31.700 -1.209 0.000 0.782 79 T N -1.909 112.510 114.554 -0.226 0.000 2.699 79 T HA -0.236 4.117 4.350 0.006 0.000 0.268 79 T C 1.555 176.197 174.700 -0.096 0.000 1.036 79 T CA 1.557 63.568 62.100 -0.149 0.000 1.147 79 T CB -0.970 67.910 68.868 0.020 0.000 0.862 79 T HN 0.308 nan 8.240 nan 0.000 0.446 80 E N 0.977 121.148 120.200 -0.047 0.000 2.102 80 E HA 0.164 4.518 4.350 0.006 0.000 0.190 80 E C 2.367 178.956 176.600 -0.018 0.000 0.971 80 E CA 0.575 56.968 56.400 -0.012 0.000 0.821 80 E CB -0.271 29.446 29.700 0.029 0.000 0.777 80 E HN 0.491 nan 8.360 nan 0.000 0.460 81 I N 0.972 121.521 120.570 -0.035 0.000 2.069 81 I HA -0.239 3.935 4.170 0.006 0.000 0.237 81 I C 1.659 177.815 176.117 0.067 0.000 1.053 81 I CA 0.691 62.014 61.300 0.038 0.000 1.311 81 I CB -0.206 37.864 38.000 0.116 0.000 1.030 81 I HN 0.170 nan 8.210 nan 0.000 0.398 82 C N -0.803 118.516 119.300 0.030 0.000 2.771 82 C HA 0.705 5.168 4.460 0.006 0.000 0.333 82 C C 1.756 176.733 174.990 -0.023 0.000 1.267 82 C CA -0.223 58.830 59.018 0.058 0.000 1.721 82 C CB 1.305 29.156 27.740 0.184 0.000 2.222 82 C HN 0.503 nan 8.230 nan 0.000 0.485 83 A N 0.881 123.700 122.820 -0.001 0.000 1.832 83 A HA 0.012 4.336 4.320 0.006 0.000 0.214 83 A C 0.814 178.378 177.584 -0.034 0.000 1.200 83 A CA 2.016 54.044 52.037 -0.015 0.000 0.610 83 A CB -0.629 18.373 19.000 0.004 0.000 0.842 83 A HN 0.909 nan 8.150 nan 0.000 0.444 84 D N -0.147 120.244 120.400 -0.016 0.000 2.540 84 D HA 0.391 5.035 4.640 0.006 0.000 0.251 84 D C -2.835 173.439 176.300 -0.043 0.000 1.159 84 D CA -2.210 51.779 54.000 -0.019 0.000 0.974 84 D CB 0.393 41.204 40.800 0.018 0.000 0.996 84 D HN 0.051 nan 8.370 nan 0.000 0.512 85 P HA 0.010 nan 4.420 nan 0.000 0.260 85 P C -0.734 176.444 177.300 -0.203 0.000 1.207 85 P CA 0.113 62.985 63.100 -0.380 0.000 0.780 85 P CB 0.460 31.537 31.700 -1.038 0.000 0.789 86 Q N 2.443 122.301 119.800 0.097 0.000 2.245 86 Q HA 0.227 4.571 4.340 0.006 0.000 0.256 86 Q C 0.350 176.674 176.000 0.540 0.000 0.942 86 Q CA -0.563 55.422 55.803 0.302 0.000 0.896 86 Q CB 1.341 30.218 28.738 0.232 0.000 1.272 86 Q HN 0.353 nan 8.270 nan 0.000 0.442 87 F N 2.162 122.429 119.950 0.529 0.000 2.118 87 F HA 0.182 4.713 4.527 0.006 0.000 0.293 87 F C 0.704 176.806 175.800 0.502 0.000 1.102 87 F CA 0.786 59.117 58.000 0.551 0.000 1.247 87 F CB 0.465 39.667 39.000 0.337 0.000 1.017 87 F HN 0.565 nan 8.300 nan 0.000 0.475 88 I N -0.714 120.099 120.570 0.404 0.000 3.191 88 I HA 0.424 4.597 4.170 0.006 0.000 0.313 88 I C -1.714 174.512 176.117 0.182 0.000 1.193 88 I CA -0.970 60.472 61.300 0.238 0.000 0.968 88 I CB 2.615 40.543 38.000 -0.119 0.000 1.262 88 I HN -0.161 nan 8.210 nan 0.000 0.456 89 I N 4.005 124.646 120.570 0.119 0.000 2.548 89 I HA 0.411 4.584 4.170 0.006 0.000 0.287 89 I C 0.802 176.941 176.117 0.036 0.000 1.103 89 I CA -0.212 61.139 61.300 0.084 0.000 1.049 89 I CB 1.675 39.731 38.000 0.093 0.000 1.232 89 I HN 0.917 nan 8.210 nan 0.000 0.429 90 G N 4.362 113.176 108.800 0.024 0.000 2.606 90 G HA2 -0.350 3.613 3.960 0.006 0.000 0.497 90 G HA3 -0.350 3.613 3.960 0.006 0.000 0.497 90 G C 1.076 175.965 174.900 -0.019 0.000 1.309 90 G CA 0.990 46.091 45.100 0.002 0.000 0.936 90 G HN 0.901 nan 8.290 nan 0.000 0.550 91 G N -0.234 108.556 108.800 -0.017 0.000 2.430 91 G HA2 0.445 4.408 3.960 0.006 0.000 0.216 91 G HA3 0.445 4.408 3.960 0.006 0.000 0.216 91 G C 1.187 176.069 174.900 -0.030 0.000 1.146 91 G CA 1.831 46.913 45.100 -0.029 0.000 0.793 91 G HN 2.474 nan 8.290 nan 0.000 0.537 92 A N -0.343 122.468 122.820 -0.014 0.000 1.786 92 A HA -0.123 4.200 4.320 0.006 0.000 0.237 92 A C 1.433 179.000 177.584 -0.029 0.000 1.309 92 A CA 1.156 53.188 52.037 -0.008 0.000 0.713 92 A CB -2.060 16.947 19.000 0.012 0.000 1.194 92 A HN 0.413 nan 8.150 nan 0.000 0.252 93 T N 2.958 117.496 114.554 -0.027 0.000 2.452 93 T HA -0.181 4.173 4.350 0.006 0.000 0.251 93 T C 1.726 176.393 174.700 -0.056 0.000 1.232 93 T CA 1.609 63.686 62.100 -0.039 0.000 1.226 93 T CB -0.165 68.688 68.868 -0.025 0.000 0.864 93 T HN 0.800 nan 8.240 nan 0.000 0.399 94 R N 1.000 121.473 120.500 -0.045 0.000 3.066 94 R HA 0.367 4.711 4.340 0.006 0.000 0.220 94 R C -0.125 176.106 176.300 -0.116 0.000 1.122 94 R CA 0.465 56.527 56.100 -0.064 0.000 1.083 94 R CB -0.494 29.794 30.300 -0.021 0.000 0.947 94 R HN 0.354 nan 8.270 nan 0.000 0.495 95 T N 1.146 115.600 114.554 -0.167 0.000 3.548 95 T HA 0.090 4.444 4.350 0.006 0.000 0.329 95 T C -1.160 173.420 174.700 -0.199 0.000 0.960 95 T CA -0.792 61.146 62.100 -0.270 0.000 1.041 95 T CB 1.146 69.682 68.868 -0.554 0.000 1.065 95 T HN 0.577 nan 8.240 nan 0.000 0.459 96 D N 2.011 122.373 120.400 -0.062 0.000 2.772 96 D HA 0.165 4.809 4.640 0.006 0.000 0.272 96 D C 0.459 176.784 176.300 0.042 0.000 1.314 96 D CA -0.534 53.509 54.000 0.072 0.000 0.835 96 D CB 0.026 40.846 40.800 0.033 0.000 1.080 96 D HN 0.615 nan 8.370 nan 0.000 0.482 97 I N 1.121 121.716 120.570 0.042 0.000 2.529 97 I HA 0.315 4.488 4.170 0.006 0.000 0.284 97 I C -0.412 175.740 176.117 0.058 0.000 1.082 97 I CA -0.356 60.923 61.300 -0.036 0.000 1.406 97 I CB 0.404 38.342 38.000 -0.102 0.000 1.405 97 I HN 0.415 nan 8.210 nan 0.000 0.548 98 C N 4.849 124.018 119.300 -0.218 0.000 2.994 98 C HA 0.467 4.931 4.460 0.006 0.000 0.305 98 C C -0.150 174.616 174.990 -0.373 0.000 1.251 98 C CA -0.895 57.969 59.018 -0.257 0.000 1.478 98 C CB 1.199 28.774 27.740 -0.276 0.000 1.922 98 C HN 0.925 nan 8.230 nan 0.000 0.472 99 Q N 1.020 120.701 119.800 -0.197 0.000 2.443 99 Q HA 0.527 4.870 4.340 0.006 0.000 0.232 99 Q C 0.443 176.411 176.000 -0.053 0.000 1.026 99 Q CA 0.516 56.255 55.803 -0.107 0.000 0.924 99 Q CB 1.085 29.774 28.738 -0.081 0.000 1.256 99 Q HN 1.075 nan 8.270 nan 0.000 0.519 100 G N -0.181 108.626 108.800 0.012 0.000 2.613 100 G HA2 0.458 4.422 3.960 0.006 0.000 0.303 100 G HA3 0.458 4.422 3.960 0.006 0.000 0.303 100 G C 0.061 174.887 174.900 -0.124 0.000 1.312 100 G CA -0.147 44.970 45.100 0.029 0.000 1.036 100 G HN 0.774 nan 8.290 nan 0.000 0.513 101 A N -1.072 121.657 122.820 -0.152 0.000 2.259 101 A HA 0.195 4.519 4.320 0.006 0.000 0.212 101 A C 1.333 178.778 177.584 -0.233 0.000 1.178 101 A CA 0.975 52.914 52.037 -0.163 0.000 0.734 101 A CB -0.276 18.639 19.000 -0.142 0.000 0.774 101 A HN 0.372 nan 8.150 nan 0.000 0.481 102 L N -2.798 118.198 121.223 -0.379 0.000 3.360 102 L HA 0.292 4.635 4.340 0.006 0.000 0.303 102 L C 1.426 177.988 176.870 -0.513 0.000 1.218 102 L CA 0.553 55.093 54.840 -0.500 0.000 1.059 102 L CB -0.031 41.569 42.059 -0.765 0.000 1.468 102 L HN 0.220 nan 8.230 nan 0.000 0.614 103 G N -0.852 107.735 108.800 -0.355 0.000 2.486 103 G HA2 0.348 4.312 3.960 0.006 0.000 0.272 103 G HA3 0.348 4.312 3.960 0.006 0.000 0.272 103 G C -0.788 174.126 174.900 0.025 0.000 1.426 103 G CA -0.180 44.895 45.100 -0.042 0.000 1.058 103 G HN 0.097 nan 8.290 nan 0.000 0.531 104 D N -1.927 118.492 120.400 0.031 0.000 2.738 104 D HA 0.202 4.846 4.640 0.006 0.000 0.237 104 D C 1.124 177.406 176.300 -0.030 0.000 1.123 104 D CA -0.416 53.608 54.000 0.040 0.000 0.856 104 D CB 1.839 42.703 40.800 0.107 0.000 1.552 104 D HN 0.466 nan 8.370 nan 0.000 0.480 105 C N 2.166 121.501 119.300 0.058 0.000 2.413 105 C HA -0.080 4.384 4.460 0.006 0.000 0.276 105 C C 2.624 177.661 174.990 0.078 0.000 1.248 105 C CA 0.470 59.513 59.018 0.041 0.000 1.742 105 C CB -1.176 26.599 27.740 0.058 0.000 2.017 105 C HN 0.856 nan 8.230 nan 0.000 0.481 106 W N 1.320 122.630 121.300 0.017 0.000 2.374 106 W HA -0.053 4.610 4.660 0.006 0.000 0.288 106 W C 1.917 178.469 176.519 0.054 0.000 1.218 106 W CA 0.625 57.981 57.345 0.018 0.000 1.245 106 W CB -1.466 27.988 29.460 -0.009 0.000 1.126 106 W HN 0.299 nan 8.180 nan 0.000 0.545 107 L N 1.965 122.738 121.223 -0.750 0.000 1.971 107 L HA -0.237 4.107 4.340 0.006 0.000 0.215 107 L C 2.684 179.419 176.870 -0.224 0.000 1.072 107 L CA 2.134 56.531 54.840 -0.738 0.000 0.758 107 L CB -1.424 40.280 42.059 -0.592 0.000 0.889 107 L HN -0.058 nan 8.230 nan 0.000 0.433 108 L N -0.480 120.696 121.223 -0.077 0.000 2.129 108 L HA -0.201 4.143 4.340 0.006 0.000 0.212 108 L C 2.627 179.623 176.870 0.211 0.000 1.087 108 L CA 1.826 56.722 54.840 0.093 0.000 0.757 108 L CB -1.673 40.491 42.059 0.176 0.000 0.896 108 L HN 0.317 nan 8.230 nan 0.000 0.434 109 A N -0.104 122.837 122.820 0.201 0.000 1.845 109 A HA -0.147 4.177 4.320 0.006 0.000 0.215 109 A C 2.565 180.305 177.584 0.260 0.000 1.195 109 A CA 2.088 54.292 52.037 0.278 0.000 0.616 109 A CB -1.107 18.044 19.000 0.253 0.000 0.832 109 A HN 0.387 nan 8.150 nan 0.000 0.443 110 A N -0.216 122.752 122.820 0.247 0.000 1.877 110 A HA -0.088 4.235 4.320 0.006 0.000 0.216 110 A C 2.166 179.795 177.584 0.075 0.000 1.186 110 A CA 1.598 53.752 52.037 0.196 0.000 0.620 110 A CB -0.675 18.326 19.000 0.002 0.000 0.822 110 A HN 0.501 nan 8.150 nan 0.000 0.443 111 I N -0.285 120.349 120.570 0.107 0.000 2.226 111 I HA -0.285 3.889 4.170 0.006 0.000 0.245 111 I C 2.932 179.127 176.117 0.130 0.000 1.100 111 I CA 1.111 62.535 61.300 0.207 0.000 1.374 111 I CB -0.326 37.743 38.000 0.115 0.000 1.057 111 I HN 0.372 nan 8.210 nan 0.000 0.413 112 A N -0.409 122.423 122.820 0.019 0.000 1.969 112 A HA -0.206 4.117 4.320 0.006 0.000 0.218 112 A C 2.443 179.941 177.584 -0.144 0.000 1.169 112 A CA 1.880 53.829 52.037 -0.146 0.000 0.635 112 A CB -0.656 18.108 19.000 -0.394 0.000 0.810 112 A HN 0.389 nan 8.150 nan 0.000 0.445 113 S N -0.502 115.139 115.700 -0.098 0.000 2.442 113 S HA -0.043 4.430 4.470 0.006 0.000 0.236 113 S C 1.663 176.163 174.600 -0.167 0.000 1.007 113 S CA 1.117 59.211 58.200 -0.178 0.000 0.965 113 S CB -0.510 62.475 63.200 -0.357 0.000 0.773 113 S HN 0.522 nan 8.310 nan 0.000 0.504 114 L N 0.710 121.895 121.223 -0.063 0.000 2.478 114 L HA 0.041 4.384 4.340 0.006 0.000 0.223 114 L C 2.110 178.942 176.870 -0.064 0.000 1.140 114 L CA 0.922 55.739 54.840 -0.039 0.000 0.842 114 L CB -0.534 41.571 42.059 0.077 0.000 0.953 114 L HN 0.301 nan 8.230 nan 0.000 0.452 115 T N -0.139 114.391 114.554 -0.040 0.000 3.088 115 T HA 0.071 4.425 4.350 0.006 0.000 0.259 115 T C 1.881 176.516 174.700 -0.108 0.000 1.122 115 T CA 0.431 62.494 62.100 -0.061 0.000 1.095 115 T CB 0.024 68.874 68.868 -0.030 0.000 0.930 115 T HN 0.230 nan 8.240 nan 0.000 0.508 116 L N 0.505 121.654 121.223 -0.124 0.000 2.201 116 L HA 0.121 4.465 4.340 0.006 0.000 0.212 116 L C 1.170 177.976 176.870 -0.106 0.000 1.105 116 L CA 0.702 55.468 54.840 -0.124 0.000 0.775 116 L CB -0.390 41.591 42.059 -0.131 0.000 0.913 116 L HN 0.245 nan 8.230 nan 0.000 0.440 117 N N -0.167 118.469 118.700 -0.107 0.000 2.352 117 N HA 0.074 4.818 4.740 0.006 0.000 0.291 117 N C 0.155 175.601 175.510 -0.107 0.000 1.040 117 N CA -0.129 52.867 53.050 -0.090 0.000 0.864 117 N CB 2.399 40.836 38.487 -0.083 0.000 1.440 117 N HN -0.131 nan 8.380 nan 0.000 0.483 118 E N 1.802 121.944 120.200 -0.097 0.000 2.072 118 E HA -0.061 4.293 4.350 0.006 0.000 0.190 118 E C 0.986 177.513 176.600 -0.122 0.000 0.982 118 E CA 1.371 57.699 56.400 -0.120 0.000 0.803 118 E CB 0.253 29.895 29.700 -0.097 0.000 0.755 118 E HN 0.656 nan 8.360 nan 0.000 0.453 119 E N -0.343 119.802 120.200 -0.092 0.000 2.153 119 E HA -0.131 4.223 4.350 0.006 0.000 0.194 119 E C 1.614 178.149 176.600 -0.109 0.000 0.988 119 E CA 0.840 57.186 56.400 -0.091 0.000 0.811 119 E CB 0.012 29.676 29.700 -0.060 0.000 0.746 119 E HN 0.347 nan 8.360 nan 0.000 0.466 120 I N 0.831 121.340 120.570 -0.103 0.000 3.419 120 I HA -0.094 4.079 4.170 0.006 0.000 0.286 120 I C 1.990 178.048 176.117 -0.098 0.000 1.268 120 I CA 0.064 61.308 61.300 -0.094 0.000 1.414 120 I CB 0.170 38.121 38.000 -0.082 0.000 1.074 120 I HN 0.192 nan 8.210 nan 0.000 0.457 121 L N 1.187 122.321 121.223 -0.148 0.000 2.253 121 L HA 0.178 4.522 4.340 0.006 0.000 0.205 121 L C 2.444 179.177 176.870 -0.228 0.000 1.078 121 L CA 1.312 56.026 54.840 -0.210 0.000 0.805 121 L CB -0.470 41.394 42.059 -0.326 0.000 0.963 121 L HN 0.156 nan 8.230 nan 0.000 0.459 122 A N -0.089 122.609 122.820 -0.203 0.000 2.216 122 A HA -0.114 4.209 4.320 0.006 0.000 0.214 122 A C 2.190 179.691 177.584 -0.139 0.000 1.160 122 A CA 0.715 52.643 52.037 -0.182 0.000 0.725 122 A CB -0.441 18.469 19.000 -0.150 0.000 0.784 122 A HN 0.424 nan 8.150 nan 0.000 0.472 123 R N -1.394 119.037 120.500 -0.115 0.000 2.189 123 R HA 0.101 4.445 4.340 0.006 0.000 0.203 123 R C 1.552 177.872 176.300 0.032 0.000 1.012 123 R CA 1.007 57.082 56.100 -0.041 0.000 1.015 123 R CB 0.063 30.259 30.300 -0.173 0.000 0.938 123 R HN 0.421 nan 8.270 nan 0.000 0.472 124 V N 0.291 120.183 119.914 -0.037 0.000 2.672 124 V HA 0.043 4.166 4.120 0.006 0.000 0.242 124 V C 0.564 176.546 176.094 -0.185 0.000 1.059 124 V CA 0.812 63.053 62.300 -0.099 0.000 1.081 124 V CB 0.942 32.662 31.823 -0.171 0.000 0.752 124 V HN -0.126 nan 8.190 nan 0.000 0.472 125 V N 2.635 122.449 119.914 -0.165 0.000 2.293 125 V HA 0.359 4.483 4.120 0.006 0.000 0.275 125 V C -2.652 173.270 176.094 -0.286 0.000 1.021 125 V CA -1.934 60.251 62.300 -0.192 0.000 0.815 125 V CB 0.942 32.686 31.823 -0.133 0.000 1.025 125 V HN 0.312 nan 8.190 nan 0.000 0.448 126 P HA 0.162 nan 4.420 nan 0.000 0.265 126 P C 1.043 178.221 177.300 -0.203 0.000 1.222 126 P CA 0.125 63.010 63.100 -0.359 0.000 0.767 126 P CB 0.596 31.939 31.700 -0.596 0.000 0.801 127 L N 2.676 123.824 121.223 -0.124 0.000 2.265 127 L HA -0.170 4.173 4.340 0.006 0.000 0.215 127 L C 1.288 178.160 176.870 0.003 0.000 1.117 127 L CA 1.121 55.935 54.840 -0.043 0.000 0.782 127 L CB -1.052 40.964 42.059 -0.072 0.000 0.914 127 L HN 0.427 nan 8.230 nan 0.000 0.441 128 N N 0.202 118.887 118.700 -0.025 0.000 2.585 128 N HA -0.071 4.672 4.740 0.006 0.000 0.213 128 N C -0.185 175.334 175.510 0.015 0.000 1.385 128 N CA 0.285 53.340 53.050 0.007 0.000 0.871 128 N CB -0.240 38.258 38.487 0.018 0.000 1.154 128 N HN 0.471 nan 8.380 nan 0.000 0.474 129 Q N -0.374 119.427 119.800 0.002 0.000 2.353 129 Q HA 0.557 4.901 4.340 0.006 0.000 0.268 129 Q C -0.994 174.996 176.000 -0.016 0.000 1.045 129 Q CA -0.854 54.901 55.803 -0.080 0.000 0.811 129 Q CB 2.151 30.709 28.738 -0.300 0.000 1.305 129 Q HN 0.294 nan 8.270 nan 0.000 0.447 130 S N 0.901 116.594 115.700 -0.013 0.000 2.671 130 S HA 0.575 5.049 4.470 0.006 0.000 0.277 130 S C -1.204 173.422 174.600 0.044 0.000 1.165 130 S CA -0.523 57.746 58.200 0.114 0.000 0.822 130 S CB 0.725 64.013 63.200 0.146 0.000 1.150 130 S HN 0.542 nan 8.310 nan 0.000 0.479 131 F N 0.998 121.048 119.950 0.167 0.000 2.678 131 F HA 0.374 4.905 4.527 0.007 0.000 0.305 131 F C 1.835 177.616 175.800 -0.032 0.000 1.090 131 F CA -0.271 57.733 58.000 0.007 0.000 1.272 131 F CB 0.553 39.479 39.000 -0.123 0.000 1.060 131 F HN 0.402 nan 8.300 nan 0.000 0.576 132 Q N 0.394 120.312 119.800 0.197 0.000 2.240 132 Q HA 0.094 4.437 4.340 0.006 0.000 0.194 132 Q C 0.184 176.247 176.000 0.105 0.000 0.982 132 Q CA 0.824 56.705 55.803 0.130 0.000 0.842 132 Q CB -0.150 28.659 28.738 0.117 0.000 0.941 132 Q HN 0.272 nan 8.270 nan 0.000 0.516 133 E N 2.206 122.456 120.200 0.084 0.000 2.194 133 E HA 0.184 4.538 4.350 0.006 0.000 0.284 133 E C -0.803 175.817 176.600 0.033 0.000 1.035 133 E CA -0.412 56.018 56.400 0.051 0.000 0.836 133 E CB 0.386 30.107 29.700 0.034 0.000 1.070 133 E HN 0.144 nan 8.360 nan 0.000 0.401 134 N N 2.440 121.153 118.700 0.021 0.000 2.642 134 N HA -0.259 4.485 4.740 0.006 0.000 0.269 134 N C -0.265 175.226 175.510 -0.032 0.000 1.073 134 N CA 0.621 53.655 53.050 -0.026 0.000 0.748 134 N CB -1.072 37.367 38.487 -0.080 0.000 0.894 134 N HN 0.593 nan 8.380 nan 0.000 0.548 135 Y N 0.843 121.080 120.300 -0.105 0.000 2.117 135 Y HA 0.132 4.685 4.550 0.006 0.000 0.277 135 Y C 1.906 177.697 175.900 -0.182 0.000 1.104 135 Y CA 2.955 60.967 58.100 -0.147 0.000 1.089 135 Y CB -0.762 37.695 38.460 -0.004 0.000 0.999 135 Y HN 0.512 nan 8.280 nan 0.000 0.480 136 A N -0.544 121.949 122.820 -0.545 0.000 4.115 136 A HA -0.214 4.110 4.320 0.006 0.000 0.268 136 A C 1.975 179.121 177.584 -0.730 0.000 0.917 136 A CA 1.923 53.636 52.037 -0.540 0.000 1.090 136 A CB -2.613 16.181 19.000 -0.343 0.000 1.067 136 A HN 2.075 nan 8.150 nan 0.000 0.828 137 G N -1.590 106.443 108.800 -1.280 0.000 2.248 137 G HA2 0.005 3.968 3.960 0.006 0.000 0.263 137 G HA3 0.005 3.968 3.960 0.006 0.000 0.263 137 G C -0.059 174.773 174.900 -0.114 0.000 1.082 137 G CA 0.783 45.485 45.100 -0.664 0.000 0.863 137 G HN 2.292 nan 8.290 nan 0.000 0.495 138 I N -1.007 119.382 120.570 -0.302 0.000 2.607 138 I HA 0.817 4.991 4.170 0.006 0.000 0.290 138 I C -1.043 174.859 176.117 -0.358 0.000 1.129 138 I CA -1.495 59.758 61.300 -0.078 0.000 1.042 138 I CB 1.309 39.212 38.000 -0.161 0.000 1.242 138 I HN -0.042 nan 8.210 nan 0.000 0.421 139 F N 5.524 125.587 119.950 0.189 0.000 2.620 139 F HA 0.637 5.168 4.527 0.006 0.000 0.320 139 F C -0.259 175.545 175.800 0.007 0.000 1.069 139 F CA -0.469 57.523 58.000 -0.014 0.000 0.953 139 F CB 1.696 40.662 39.000 -0.057 0.000 1.322 139 F HN 0.469 nan 8.300 nan 0.000 0.479 140 H N -0.481 118.314 119.070 -0.458 0.000 2.865 140 H HA 0.722 5.282 4.556 0.006 0.000 0.372 140 H C -1.982 172.964 175.328 -0.636 0.000 1.173 140 H CA -1.822 54.003 56.048 -0.371 0.000 1.147 140 H CB 1.761 31.167 29.762 -0.593 0.000 1.805 140 H HN 0.476 nan 8.280 nan 0.000 0.553 141 F N -0.609 119.249 119.950 -0.152 0.000 2.645 141 F HA 0.370 4.900 4.527 0.006 0.000 0.310 141 F C -0.416 175.041 175.800 -0.573 0.000 1.102 141 F CA -0.795 56.940 58.000 -0.442 0.000 0.952 141 F CB 2.371 41.070 39.000 -0.501 0.000 1.326 141 F HN 0.400 nan 8.300 nan 0.000 0.456 142 Q N 1.853 121.346 119.800 -0.511 0.000 2.348 142 Q HA 0.540 4.883 4.340 0.006 0.000 0.265 142 Q C -1.767 174.044 176.000 -0.314 0.000 0.998 142 Q CA -0.476 55.171 55.803 -0.260 0.000 0.831 142 Q CB 2.196 30.892 28.738 -0.071 0.000 1.251 142 Q HN 0.479 nan 8.270 nan 0.000 0.456 143 F N 0.929 121.042 119.950 0.272 0.000 2.482 143 F HA 0.310 4.840 4.527 0.006 0.000 0.331 143 F C -0.342 175.448 175.800 -0.016 0.000 1.115 143 F CA -1.020 57.059 58.000 0.131 0.000 0.955 143 F CB 1.137 40.172 39.000 0.058 0.000 1.136 143 F HN 0.541 nan 8.300 nan 0.000 0.452 144 W N 5.546 126.593 121.300 -0.422 0.000 2.388 144 W HA 0.319 4.982 4.660 0.006 0.000 0.308 144 W C -0.710 175.551 176.519 -0.430 0.000 1.263 144 W CA -0.286 56.527 57.345 -0.887 0.000 1.286 144 W CB 0.587 29.268 29.460 -1.299 0.000 1.294 144 W HN 0.334 nan 8.180 nan 0.000 0.493 145 Q N 7.229 126.573 119.800 -0.761 0.000 2.456 145 Q HA 0.088 4.432 4.340 0.006 0.000 0.252 145 Q C -1.066 174.353 176.000 -0.968 0.000 1.042 145 Q CA -1.057 54.291 55.803 -0.759 0.000 0.766 145 Q CB 0.727 29.271 28.738 -0.323 0.000 1.196 145 Q HN 0.693 nan 8.270 nan 0.000 0.504 146 Y N 0.729 120.485 120.300 -0.906 0.000 2.983 146 Y HA -0.307 4.246 4.550 0.005 0.000 0.185 146 Y C 1.298 176.722 175.900 -0.793 0.000 1.476 146 Y CA 0.844 58.520 58.100 -0.707 0.000 0.866 146 Y CB -1.910 36.388 38.460 -0.271 0.000 1.331 146 Y HN 0.986 nan 8.280 nan 0.000 0.403 147 G N -0.269 107.749 108.800 -1.303 0.000 2.179 147 G HA2 -0.254 3.709 3.960 0.006 0.000 0.260 147 G HA3 -0.254 3.709 3.960 0.006 0.000 0.260 147 G C -0.079 174.533 174.900 -0.479 0.000 0.977 147 G CA 0.409 45.248 45.100 -0.435 0.000 0.641 147 G HN 1.014 nan 8.290 nan 0.000 0.533 148 E N -1.221 118.417 120.200 -0.936 0.000 2.390 148 E HA 0.561 4.915 4.350 0.006 0.000 0.277 148 E C -1.197 175.106 176.600 -0.496 0.000 0.939 148 E CA -1.533 54.603 56.400 -0.439 0.000 0.769 148 E CB 0.962 30.557 29.700 -0.175 0.000 1.251 148 E HN 0.189 nan 8.360 nan 0.000 0.450 149 W N 1.739 123.014 121.300 -0.042 0.000 2.361 149 W HA 0.495 5.158 4.660 0.004 0.000 0.309 149 W C -0.737 175.792 176.519 0.017 0.000 1.122 149 W CA -0.481 56.889 57.345 0.042 0.000 1.208 149 W CB 1.715 31.233 29.460 0.096 0.000 1.246 149 W HN 0.245 nan 8.180 nan 0.000 0.490 150 V N 2.837 122.888 119.914 0.228 0.000 2.487 150 V HA 0.238 4.362 4.120 0.006 0.000 0.298 150 V C -0.202 176.021 176.094 0.216 0.000 1.028 150 V CA -1.394 61.018 62.300 0.186 0.000 0.860 150 V CB 1.463 33.356 31.823 0.117 0.000 0.991 150 V HN 0.520 nan 8.190 nan 0.000 0.427 151 E N 3.651 123.962 120.200 0.186 0.000 2.259 151 E HA 0.552 4.906 4.350 0.006 0.000 0.281 151 E C -1.357 175.395 176.600 0.253 0.000 1.027 151 E CA -0.336 56.160 56.400 0.160 0.000 0.838 151 E CB 1.585 31.354 29.700 0.115 0.000 1.066 151 E HN 0.492 nan 8.360 nan 0.000 0.401 152 V N 5.013 125.110 119.914 0.305 0.000 2.555 152 V HA 0.346 4.469 4.120 0.006 0.000 0.302 152 V C -0.300 176.051 176.094 0.428 0.000 1.038 152 V CA -0.832 61.719 62.300 0.418 0.000 0.887 152 V CB 1.841 33.992 31.823 0.547 0.000 0.991 152 V HN 0.551 nan 8.190 nan 0.000 0.434 153 V N 4.566 124.718 119.914 0.398 0.000 2.630 153 V HA 0.758 4.882 4.120 0.006 0.000 0.305 153 V C -0.351 176.030 176.094 0.477 0.000 1.046 153 V CA -0.531 62.007 62.300 0.397 0.000 0.934 153 V CB 2.013 34.006 31.823 0.283 0.000 1.003 153 V HN 0.612 nan 8.190 nan 0.000 0.451 154 V N 2.713 122.960 119.914 0.555 0.000 3.077 154 V HA 0.465 4.588 4.120 0.006 0.000 0.299 154 V C -1.767 174.705 176.094 0.630 0.000 1.276 154 V CA -0.736 61.909 62.300 0.574 0.000 0.993 154 V CB 2.676 34.821 31.823 0.536 0.000 1.076 154 V HN 1.133 nan 8.190 nan 0.000 0.434 155 D N 2.436 123.151 120.400 0.525 0.000 2.225 155 D HA 0.333 4.977 4.640 0.006 0.000 0.249 155 D C 0.403 176.998 176.300 0.491 0.000 1.052 155 D CA -0.372 53.904 54.000 0.460 0.000 0.909 155 D CB 1.250 42.149 40.800 0.165 0.000 1.186 155 D HN 0.588 nan 8.370 nan 0.000 0.431 156 D N 0.777 121.503 120.400 0.543 0.000 2.368 156 D HA -0.093 4.551 4.640 0.006 0.000 0.250 156 D C -0.082 176.505 176.300 0.478 0.000 1.142 156 D CA -0.201 54.152 54.000 0.589 0.000 0.925 156 D CB -0.379 40.874 40.800 0.755 0.000 0.896 156 D HN 0.248 nan 8.370 nan 0.000 0.525 157 R N 0.085 120.847 120.500 0.438 0.000 2.401 157 R HA 0.413 4.757 4.340 0.006 0.000 0.299 157 R C -0.211 176.434 176.300 0.575 0.000 1.064 157 R CA 0.012 56.388 56.100 0.461 0.000 1.000 157 R CB 0.596 31.143 30.300 0.411 0.000 0.973 157 R HN 0.169 nan 8.270 nan 0.000 0.438 158 L N 5.768 127.248 121.223 0.429 0.000 2.346 158 L HA 0.497 4.841 4.340 0.006 0.000 0.274 158 L C -2.241 174.597 176.870 -0.054 0.000 1.007 158 L CA -2.609 52.399 54.840 0.280 0.000 0.818 158 L CB 2.321 44.547 42.059 0.278 0.000 1.284 158 L HN 0.362 nan 8.230 nan 0.000 0.424 159 P HA 0.129 nan 4.420 nan 0.000 0.276 159 P C -0.832 176.262 177.300 -0.343 0.000 1.253 159 P CA -0.146 62.490 63.100 -0.774 0.000 0.766 159 P CB 0.854 32.059 31.700 -0.826 0.000 0.845 160 T N 0.912 115.283 114.554 -0.306 0.000 2.916 160 T HA 0.541 4.895 4.350 0.006 0.000 0.298 160 T C -1.061 173.542 174.700 -0.162 0.000 1.031 160 T CA -0.965 61.026 62.100 -0.182 0.000 0.993 160 T CB 1.427 70.235 68.868 -0.100 0.000 1.045 160 T HN 0.181 nan 8.240 nan 0.000 0.454 161 K N 2.196 122.510 120.400 -0.144 0.000 2.270 161 K HA 0.445 4.769 4.320 0.006 0.000 0.255 161 K C -0.214 176.336 176.600 -0.083 0.000 0.936 161 K CA -0.478 55.744 56.287 -0.108 0.000 0.809 161 K CB 0.798 33.231 32.500 -0.112 0.000 1.131 161 K HN 0.782 nan 8.250 nan 0.000 0.427 162 D N 2.308 122.673 120.400 -0.057 0.000 2.880 162 D HA -0.218 4.426 4.640 0.006 0.000 0.198 162 D C 0.595 176.870 176.300 -0.041 0.000 1.059 162 D CA 1.818 55.791 54.000 -0.044 0.000 1.019 162 D CB -0.960 39.811 40.800 -0.048 0.000 1.112 162 D HN 1.010 nan 8.370 nan 0.000 0.424 163 G N 0.987 109.757 108.800 -0.050 0.000 2.159 163 G HA2 -0.221 3.743 3.960 0.006 0.000 0.170 163 G HA3 -0.221 3.743 3.960 0.006 0.000 0.170 163 G C -0.133 174.734 174.900 -0.054 0.000 1.007 163 G CA 0.497 45.574 45.100 -0.039 0.000 0.672 163 G HN 0.557 nan 8.290 nan 0.000 0.507 164 E N -0.139 120.007 120.200 -0.090 0.000 2.244 164 E HA 0.685 5.038 4.350 0.006 0.000 0.266 164 E C 0.418 176.899 176.600 -0.198 0.000 0.914 164 E CA -1.038 55.278 56.400 -0.139 0.000 0.794 164 E CB 1.050 30.667 29.700 -0.138 0.000 1.210 164 E HN 0.158 nan 8.360 nan 0.000 0.414 165 L N 4.715 125.743 121.223 -0.325 0.000 2.455 165 L HA 0.027 4.371 4.340 0.006 0.000 0.272 165 L C 1.031 177.722 176.870 -0.298 0.000 1.174 165 L CA 0.112 54.758 54.840 -0.323 0.000 0.869 165 L CB 0.376 42.162 42.059 -0.455 0.000 1.130 165 L HN 0.718 nan 8.230 nan 0.000 0.474 166 L N 3.128 124.230 121.223 -0.201 0.000 2.307 166 L HA 0.074 4.418 4.340 0.006 0.000 0.211 166 L C 0.464 177.067 176.870 -0.446 0.000 1.099 166 L CA 0.639 55.278 54.840 -0.334 0.000 0.816 166 L CB -0.069 41.721 42.059 -0.449 0.000 0.952 166 L HN 0.398 nan 8.230 nan 0.000 0.455 167 F N -1.515 118.396 119.950 -0.066 0.000 2.561 167 F HA 0.358 4.889 4.527 0.007 0.000 0.384 167 F C 0.589 176.487 175.800 0.165 0.000 1.131 167 F CA -1.018 56.994 58.000 0.019 0.000 1.133 167 F CB 0.349 39.356 39.000 0.012 0.000 1.506 167 F HN -0.519 nan 8.300 nan 0.000 0.499 168 V N 2.137 122.251 119.914 0.334 0.000 2.752 168 V HA 0.057 4.180 4.120 0.006 0.000 0.306 168 V C -0.220 175.976 176.094 0.171 0.000 1.099 168 V CA 0.668 63.054 62.300 0.144 0.000 1.240 168 V CB -0.794 31.061 31.823 0.053 0.000 0.887 168 V HN 0.789 nan 8.190 nan 0.000 0.499 169 H N 1.367 120.372 119.070 -0.108 0.000 3.024 169 H HA 0.332 4.892 4.556 0.006 0.000 0.324 169 H C -0.717 174.477 175.328 -0.224 0.000 1.347 169 H CA -0.539 55.383 56.048 -0.210 0.000 1.182 169 H CB 1.275 30.920 29.762 -0.194 0.000 1.889 169 H HN 0.533 nan 8.280 nan 0.000 0.528 170 S N 0.083 115.626 115.700 -0.262 0.000 2.528 170 S HA 0.427 4.901 4.470 0.006 0.000 0.277 170 S C 1.282 175.809 174.600 -0.123 0.000 1.297 170 S CA 0.203 58.267 58.200 -0.226 0.000 1.052 170 S CB 0.514 63.566 63.200 -0.246 0.000 0.917 170 S HN 0.783 nan 8.310 nan 0.000 0.492 171 A N 4.830 127.592 122.820 -0.097 0.000 1.855 171 A HA 0.009 4.333 4.320 0.006 0.000 0.215 171 A C 1.898 179.476 177.584 -0.010 0.000 1.191 171 A CA 1.057 53.078 52.037 -0.026 0.000 0.613 171 A CB -0.692 18.290 19.000 -0.030 0.000 0.829 171 A HN 0.853 nan 8.150 nan 0.000 0.442 172 E N -0.518 119.668 120.200 -0.024 0.000 3.262 172 E HA 0.349 4.702 4.350 0.006 0.000 0.485 172 E C 1.367 177.945 176.600 -0.035 0.000 0.288 172 E CA 0.661 57.052 56.400 -0.016 0.000 2.824 172 E CB -0.958 28.738 29.700 -0.006 0.000 2.232 172 E HN 0.601 nan 8.360 nan 0.000 0.424 173 G N -0.224 108.560 108.800 -0.027 0.000 2.561 173 G HA2 -0.254 3.710 3.960 0.006 0.000 0.528 173 G HA3 -0.254 3.710 3.960 0.006 0.000 0.528 173 G C 0.198 175.091 174.900 -0.012 0.000 1.334 173 G CA 0.989 46.075 45.100 -0.023 0.000 0.911 173 G HN 0.551 nan 8.290 nan 0.000 0.538 174 S N -1.147 114.567 115.700 0.024 0.000 2.998 174 S HA 0.302 4.776 4.470 0.006 0.000 0.256 174 S C -0.033 174.703 174.600 0.227 0.000 0.970 174 S CA 0.056 58.335 58.200 0.132 0.000 1.238 174 S CB 0.789 64.057 63.200 0.113 0.000 1.170 174 S HN 0.716 nan 8.310 nan 0.000 0.663 175 E N 0.739 120.977 120.200 0.064 0.000 2.283 175 E HA 0.438 4.791 4.350 0.006 0.000 0.278 175 E C -1.045 175.513 176.600 -0.070 0.000 1.027 175 E CA -0.343 56.134 56.400 0.129 0.000 0.843 175 E CB 0.633 30.377 29.700 0.074 0.000 1.062 175 E HN 0.318 nan 8.360 nan 0.000 0.401 176 F N 1.651 121.626 119.950 0.042 0.000 2.837 176 F HA 0.123 4.654 4.527 0.006 0.000 0.328 176 F C 0.917 176.692 175.800 -0.042 0.000 1.173 176 F CA -0.796 57.224 58.000 0.033 0.000 1.160 176 F CB 0.346 39.472 39.000 0.209 0.000 1.115 176 F HN 0.646 nan 8.300 nan 0.000 0.512 177 W N -0.294 120.842 121.300 -0.274 0.000 2.584 177 W HA 0.009 4.673 4.660 0.006 0.000 0.264 177 W C 1.454 177.878 176.519 -0.158 0.000 1.264 177 W CA 1.132 58.054 57.345 -0.706 0.000 1.306 177 W CB -1.150 27.521 29.460 -1.315 0.000 1.110 177 W HN 0.203 nan 8.180 nan 0.000 0.606 178 S N 1.047 116.201 115.700 -0.910 0.000 2.470 178 S HA 0.203 4.676 4.470 0.006 0.000 0.225 178 S C 2.101 176.544 174.600 -0.261 0.000 1.006 178 S CA 0.746 58.453 58.200 -0.822 0.000 0.934 178 S CB -0.491 62.003 63.200 -1.177 0.000 0.778 178 S HN 0.208 nan 8.310 nan 0.000 0.517 179 A N 2.067 124.817 122.820 -0.115 0.000 1.872 179 A HA 0.293 4.617 4.320 0.006 0.000 0.214 179 A C 2.163 179.858 177.584 0.186 0.000 1.187 179 A CA 1.065 53.166 52.037 0.106 0.000 0.614 179 A CB -0.737 18.412 19.000 0.249 0.000 0.826 179 A HN 0.499 nan 8.150 nan 0.000 0.442 180 L N -0.669 120.710 121.223 0.259 0.000 2.418 180 L HA 0.003 4.346 4.340 0.006 0.000 0.218 180 L C 2.246 179.052 176.870 -0.107 0.000 1.125 180 L CA 0.217 55.258 54.840 0.335 0.000 0.835 180 L CB -0.209 42.244 42.059 0.658 0.000 0.953 180 L HN 0.436 nan 8.230 nan 0.000 0.454 181 L N -0.118 120.975 121.223 -0.217 0.000 2.156 181 L HA -0.131 4.213 4.340 0.006 0.000 0.208 181 L C 2.296 178.965 176.870 -0.336 0.000 1.095 181 L CA 1.693 56.120 54.840 -0.689 0.000 0.770 181 L CB -0.512 41.525 42.059 -0.036 0.000 0.914 181 L HN 0.295 nan 8.230 nan 0.000 0.439 182 E N -0.454 119.680 120.200 -0.110 0.000 2.112 182 E HA -0.249 4.105 4.350 0.006 0.000 0.190 182 E C 2.140 178.635 176.600 -0.176 0.000 0.979 182 E CA 0.794 57.183 56.400 -0.018 0.000 0.814 182 E CB -0.040 29.701 29.700 0.067 0.000 0.762 182 E HN 0.541 nan 8.360 nan 0.000 0.460 183 K N 0.196 120.502 120.400 -0.156 0.000 2.097 183 K HA -0.083 4.240 4.320 0.006 0.000 0.205 183 K C 1.999 178.417 176.600 -0.303 0.000 1.050 183 K CA 0.973 57.098 56.287 -0.270 0.000 0.938 183 K CB -0.094 32.503 32.500 0.163 0.000 0.718 183 K HN 0.125 nan 8.250 nan 0.000 0.442 184 A N 0.360 123.047 122.820 -0.221 0.000 1.898 184 A HA -0.195 4.129 4.320 0.006 0.000 0.216 184 A C 2.034 179.376 177.584 -0.404 0.000 1.181 184 A CA 1.233 53.177 52.037 -0.155 0.000 0.620 184 A CB -0.858 18.083 19.000 -0.098 0.000 0.819 184 A HN 0.596 nan 8.150 nan 0.000 0.442 185 Y N -0.071 119.797 120.300 -0.720 0.000 2.373 185 Y HA 0.017 4.571 4.550 0.006 0.000 0.293 185 Y C 2.541 178.121 175.900 -0.534 0.000 1.129 185 Y CA 0.686 58.274 58.100 -0.853 0.000 1.226 185 Y CB -0.048 38.153 38.460 -0.431 0.000 1.000 185 Y HN 0.369 nan 8.280 nan 0.000 0.549 186 A N 0.455 122.957 122.820 -0.531 0.000 1.897 186 A HA -0.157 4.167 4.320 0.006 0.000 0.215 186 A C 2.182 179.424 177.584 -0.570 0.000 1.181 186 A CA 1.587 53.277 52.037 -0.578 0.000 0.620 186 A CB -0.557 17.887 19.000 -0.926 0.000 0.821 186 A HN 0.457 nan 8.150 nan 0.000 0.443 187 K N -0.373 119.523 120.400 -0.840 0.000 2.026 187 K HA -0.024 4.300 4.320 0.006 0.000 0.208 187 K C 1.767 178.091 176.600 -0.459 0.000 1.048 187 K CA 1.529 57.154 56.287 -1.103 0.000 0.929 187 K CB -0.251 31.570 32.500 -1.132 0.000 0.713 187 K HN 0.448 nan 8.250 nan 0.000 0.439 188 I N 1.209 121.497 120.570 -0.469 0.000 3.001 188 I HA -0.168 4.006 4.170 0.006 0.000 0.268 188 I C 0.479 176.374 176.117 -0.370 0.000 1.267 188 I CA 0.917 61.887 61.300 -0.551 0.000 1.472 188 I CB -0.017 37.561 38.000 -0.703 0.000 1.089 188 I HN 0.260 nan 8.210 nan 0.000 0.468 189 N N 0.022 118.504 118.700 -0.364 0.000 2.280 189 N HA 0.141 4.885 4.740 0.006 0.000 0.192 189 N C 1.113 176.530 175.510 -0.155 0.000 1.109 189 N CA 0.820 53.697 53.050 -0.288 0.000 0.855 189 N CB 0.929 39.188 38.487 -0.379 0.000 0.974 189 N HN 0.403 nan 8.380 nan 0.000 0.482 190 G N -0.607 108.134 108.800 -0.099 0.000 2.420 190 G HA2 -0.280 3.683 3.960 0.006 0.000 0.221 190 G HA3 -0.280 3.683 3.960 0.006 0.000 0.221 190 G C 0.011 175.012 174.900 0.170 0.000 1.117 190 G CA 0.231 45.354 45.100 0.037 0.000 0.657 190 G HN 0.383 nan 8.290 nan 0.000 0.512 191 C N -1.496 117.889 119.300 0.143 0.000 2.888 191 C HA 0.694 5.158 4.460 0.006 0.000 0.308 191 C C 0.965 176.110 174.990 0.258 0.000 1.213 191 C CA -0.591 58.604 59.018 0.295 0.000 1.461 191 C CB 0.771 28.704 27.740 0.322 0.000 1.934 191 C HN 0.330 nan 8.230 nan 0.000 0.474 192 Y N 0.434 120.872 120.300 0.230 0.000 2.274 192 Y HA -0.143 4.411 4.550 0.007 0.000 0.290 192 Y C 2.394 178.366 175.900 0.120 0.000 1.145 192 Y CA 2.070 60.209 58.100 0.065 0.000 1.203 192 Y CB 0.212 38.615 38.460 -0.095 0.000 0.984 192 Y HN 0.846 nan 8.280 nan 0.000 0.533 193 E N -0.160 120.273 120.200 0.388 0.000 2.511 193 E HA -0.050 4.304 4.350 0.006 0.000 0.196 193 E C 1.768 178.541 176.600 0.289 0.000 1.066 193 E CA 0.501 57.089 56.400 0.313 0.000 0.871 193 E CB 0.030 29.879 29.700 0.248 0.000 0.863 193 E HN 0.452 nan 8.360 nan 0.000 0.520 194 A N 0.507 123.475 122.820 0.246 0.000 2.123 194 A HA 0.053 4.376 4.320 0.006 0.000 0.214 194 A C 1.948 179.586 177.584 0.091 0.000 1.152 194 A CA 0.110 52.239 52.037 0.154 0.000 0.728 194 A CB -0.126 18.901 19.000 0.045 0.000 0.814 194 A HN 0.312 nan 8.150 nan 0.000 0.464 195 L N -0.050 121.250 121.223 0.129 0.000 2.313 195 L HA 0.001 4.345 4.340 0.006 0.000 0.214 195 L C 0.565 177.706 176.870 0.452 0.000 1.119 195 L CA 0.186 55.172 54.840 0.243 0.000 0.809 195 L CB -0.363 41.811 42.059 0.192 0.000 0.933 195 L HN 0.179 nan 8.230 nan 0.000 0.449 196 S N -0.086 115.805 115.700 0.318 0.000 2.531 196 S HA 0.403 4.877 4.470 0.006 0.000 0.279 196 S C 1.054 175.722 174.600 0.112 0.000 1.305 196 S CA 0.453 58.822 58.200 0.283 0.000 1.058 196 S CB 1.240 64.560 63.200 0.200 0.000 0.899 196 S HN 0.540 nan 8.310 nan 0.000 0.493 197 G N 2.371 111.172 108.800 0.001 0.000 2.213 197 G HA2 -0.150 3.813 3.960 0.006 0.000 0.226 197 G HA3 -0.150 3.813 3.960 0.006 0.000 0.226 197 G C 0.401 175.086 174.900 -0.358 0.000 0.992 197 G CA -0.339 44.682 45.100 -0.131 0.000 0.632 197 G HN 1.087 nan 8.290 nan 0.000 0.511 198 G N 0.209 108.675 108.800 -0.556 0.000 2.594 198 G HA2 0.670 4.633 3.960 0.006 0.000 0.243 198 G HA3 0.670 4.633 3.960 0.006 0.000 0.243 198 G C 0.184 173.980 174.900 -1.840 0.000 1.229 198 G CA 0.762 45.143 45.100 -1.198 0.000 0.843 198 G HN 1.588 nan 8.290 nan 0.000 0.578 199 A N 0.587 122.596 122.820 -1.352 0.000 2.365 199 A HA 0.640 4.964 4.320 0.006 0.000 0.318 199 A C 1.256 178.538 177.584 -0.503 0.000 1.091 199 A CA 0.217 51.756 52.037 -0.831 0.000 0.763 199 A CB 1.231 19.918 19.000 -0.522 0.000 1.248 199 A HN 1.168 nan 8.150 nan 0.000 0.442 200 T N -0.834 113.635 114.554 -0.142 0.000 2.803 200 T HA -0.198 4.156 4.350 0.006 0.000 0.269 200 T C 1.687 176.173 174.700 -0.357 0.000 1.052 200 T CA 2.359 64.473 62.100 0.024 0.000 1.136 200 T CB -1.091 67.761 68.868 -0.027 0.000 0.864 200 T HN 0.955 nan 8.240 nan 0.000 0.467 201 T N 0.558 114.837 114.554 -0.458 0.000 2.759 201 T HA -0.107 4.247 4.350 0.006 0.000 0.269 201 T C 1.810 176.401 174.700 -0.181 0.000 1.042 201 T CA 1.391 63.239 62.100 -0.420 0.000 1.140 201 T CB -0.507 68.163 68.868 -0.330 0.000 0.864 201 T HN 0.539 nan 8.240 nan 0.000 0.455 202 E N 1.148 121.255 120.200 -0.156 0.000 2.047 202 E HA 0.004 4.358 4.350 0.006 0.000 0.191 202 E C 2.600 179.239 176.600 0.065 0.000 0.987 202 E CA 0.892 57.269 56.400 -0.038 0.000 0.799 202 E CB -0.544 29.099 29.700 -0.095 0.000 0.752 202 E HN 0.668 nan 8.360 nan 0.000 0.449 203 G N 0.168 109.037 108.800 0.115 0.000 2.408 203 G HA2 -0.210 3.754 3.960 0.006 0.000 0.217 203 G HA3 -0.210 3.754 3.960 0.006 0.000 0.217 203 G C 1.314 176.128 174.900 -0.142 0.000 1.150 203 G CA 0.173 45.192 45.100 -0.134 0.000 0.776 203 G HN 0.170 nan 8.290 nan 0.000 0.542 204 F N 1.040 120.879 119.950 -0.184 0.000 2.065 204 F HA -0.132 4.399 4.527 0.006 0.000 0.298 204 F C 2.919 178.659 175.800 -0.099 0.000 1.112 204 F CA 1.400 59.328 58.000 -0.119 0.000 1.212 204 F CB -0.009 38.940 39.000 -0.086 0.000 0.975 204 F HN 0.204 nan 8.300 nan 0.000 0.476 205 E N -0.129 120.118 120.200 0.080 0.000 2.106 205 E HA -0.205 4.149 4.350 0.006 0.000 0.192 205 E C 1.517 178.078 176.600 -0.065 0.000 0.984 205 E CA 1.185 57.498 56.400 -0.146 0.000 0.806 205 E CB -0.187 29.413 29.700 -0.167 0.000 0.750 205 E HN 0.375 nan 8.360 nan 0.000 0.458 206 D N -0.297 120.190 120.400 0.144 0.000 2.269 206 D HA -0.085 4.559 4.640 0.006 0.000 0.208 206 D C 0.715 177.329 176.300 0.523 0.000 0.963 206 D CA 0.781 54.970 54.000 0.315 0.000 0.864 206 D CB 0.101 41.070 40.800 0.281 0.000 0.936 206 D HN 0.129 nan 8.370 nan 0.000 0.505 207 F N -0.412 119.552 119.950 0.024 0.000 2.639 207 F HA 0.237 4.767 4.527 0.006 0.000 0.302 207 F C 1.549 177.402 175.800 0.088 0.000 1.097 207 F CA -0.019 58.026 58.000 0.075 0.000 1.294 207 F CB 0.488 39.498 39.000 0.016 0.000 1.027 207 F HN -0.197 nan 8.300 nan 0.000 0.550 208 T N -2.459 112.193 114.554 0.163 0.000 3.507 208 T HA 0.356 4.710 4.350 0.006 0.000 0.280 208 T C 1.610 176.306 174.700 -0.007 0.000 0.976 208 T CA 0.694 62.853 62.100 0.098 0.000 1.096 208 T CB 0.600 69.448 68.868 -0.034 0.000 1.168 208 T HN 0.123 nan 8.240 nan 0.000 0.463 209 G N 1.117 109.514 108.800 -0.672 0.000 2.213 209 G HA2 -0.068 3.896 3.960 0.006 0.000 0.226 209 G HA3 -0.068 3.896 3.960 0.006 0.000 0.226 209 G C 0.495 174.963 174.900 -0.719 0.000 0.992 209 G CA 0.095 44.460 45.100 -1.224 0.000 0.632 209 G HN 0.861 nan 8.290 nan 0.000 0.511 210 G N -0.598 107.954 108.800 -0.413 0.000 2.588 210 G HA2 0.575 4.539 3.960 0.006 0.000 0.281 210 G HA3 0.575 4.539 3.960 0.006 0.000 0.281 210 G C -0.224 174.404 174.900 -0.453 0.000 1.236 210 G CA -0.169 44.780 45.100 -0.252 0.000 0.969 210 G HN 0.928 nan 8.290 nan 0.000 0.504 211 I N 0.366 120.512 120.570 -0.706 0.000 2.389 211 I HA 0.584 4.758 4.170 0.006 0.000 0.288 211 I C 0.106 175.959 176.117 -0.440 0.000 0.999 211 I CA -0.918 59.992 61.300 -0.649 0.000 1.129 211 I CB 1.429 38.792 38.000 -1.062 0.000 1.288 211 I HN 0.506 nan 8.210 nan 0.000 0.444 212 A N 7.530 130.223 122.820 -0.211 0.000 2.252 212 A HA 0.483 4.807 4.320 0.006 0.000 0.309 212 A C -0.379 177.193 177.584 -0.021 0.000 1.285 212 A CA -0.524 51.464 52.037 -0.081 0.000 0.900 212 A CB 0.285 19.268 19.000 -0.029 0.000 1.157 212 A HN 0.769 nan 8.150 nan 0.000 0.536 213 E N 3.567 123.759 120.200 -0.013 0.000 2.179 213 E HA 0.546 4.899 4.350 0.006 0.000 0.275 213 E C -0.748 175.931 176.600 0.133 0.000 0.945 213 E CA -0.799 55.583 56.400 -0.030 0.000 0.792 213 E CB 1.245 30.895 29.700 -0.084 0.000 1.125 213 E HN 0.732 nan 8.360 nan 0.000 0.397 214 W N 2.511 123.714 121.300 -0.162 0.000 2.647 214 W HA 0.589 5.252 4.660 0.006 0.000 0.353 214 W C -1.747 174.674 176.519 -0.163 0.000 1.080 214 W CA -1.362 55.955 57.345 -0.047 0.000 1.208 214 W CB 0.026 29.428 29.460 -0.097 0.000 1.396 214 W HN 0.494 nan 8.180 nan 0.000 0.573 215 Y N 0.515 120.866 120.300 0.085 0.000 2.433 215 Y HA 0.230 4.783 4.550 0.006 0.000 0.337 215 Y C -0.536 175.400 175.900 0.060 0.000 1.026 215 Y CA -1.407 56.671 58.100 -0.037 0.000 1.037 215 Y CB 1.743 40.193 38.460 -0.016 0.000 1.245 215 Y HN 0.321 nan 8.280 nan 0.000 0.443 216 E N 3.141 123.414 120.200 0.122 0.000 2.257 216 E HA 0.234 4.588 4.350 0.006 0.000 0.278 216 E C 0.259 176.865 176.600 0.010 0.000 1.049 216 E CA -0.003 56.405 56.400 0.014 0.000 0.876 216 E CB 0.575 30.249 29.700 -0.043 0.000 1.035 216 E HN 0.643 nan 8.360 nan 0.000 0.419 217 L N 2.294 123.509 121.223 -0.013 0.000 2.554 217 L HA -0.014 4.330 4.340 0.006 0.000 0.226 217 L C 1.095 177.990 176.870 0.041 0.000 1.137 217 L CA 0.480 55.417 54.840 0.161 0.000 0.863 217 L CB -0.040 42.198 42.059 0.297 0.000 0.985 217 L HN 0.297 nan 8.230 nan 0.000 0.451 218 K N 0.289 120.624 120.400 -0.108 0.000 2.410 218 K HA 0.127 4.450 4.320 0.006 0.000 0.200 218 K C 0.169 176.687 176.600 -0.137 0.000 1.023 218 K CA 0.185 56.409 56.287 -0.106 0.000 1.149 218 K CB 0.298 32.751 32.500 -0.079 0.000 0.859 218 K HN -0.111 nan 8.250 nan 0.000 0.514 219 K N 0.696 121.008 120.400 -0.146 0.000 3.529 219 K HA 0.138 4.462 4.320 0.006 0.000 0.163 219 K C -2.873 173.661 176.600 -0.110 0.000 1.066 219 K CA -0.892 55.314 56.287 -0.135 0.000 0.748 219 K CB 0.585 33.028 32.500 -0.096 0.000 0.839 219 K HN -0.050 nan 8.250 nan 0.000 0.503 220 P HA 0.448 nan 4.420 nan 0.000 0.279 220 P C -2.406 174.883 177.300 -0.020 0.000 1.282 220 P CA -1.327 61.756 63.100 -0.027 0.000 0.788 220 P CB 0.281 31.953 31.700 -0.047 0.000 1.139 221 P HA 0.260 nan 4.420 nan 0.000 0.275 221 P C -2.063 175.273 177.300 0.060 0.000 1.228 221 P CA -1.187 61.955 63.100 0.070 0.000 0.786 221 P CB -0.639 31.141 31.700 0.134 0.000 0.927 222 P HA 0.035 nan 4.420 nan 0.000 0.249 222 P C -0.147 177.204 177.300 0.086 0.000 1.241 222 P CA 0.686 63.816 63.100 0.049 0.000 0.781 222 P CB -0.453 31.259 31.700 0.020 0.000 1.088 223 N N -2.128 116.628 118.700 0.093 0.000 2.387 223 N HA 0.099 4.842 4.740 0.006 0.000 0.259 223 N C 0.974 176.531 175.510 0.078 0.000 1.369 223 N CA -0.374 52.728 53.050 0.087 0.000 0.867 223 N CB -0.339 38.183 38.487 0.058 0.000 1.341 223 N HN -0.114 nan 8.380 nan 0.000 0.495 224 L N -0.295 121.007 121.223 0.132 0.000 2.156 224 L HA 0.073 4.417 4.340 0.006 0.000 0.208 224 L C 1.483 178.365 176.870 0.021 0.000 1.095 224 L CA 1.193 56.088 54.840 0.092 0.000 0.770 224 L CB -0.310 41.928 42.059 0.297 0.000 0.914 224 L HN 0.332 nan 8.230 nan 0.000 0.439 225 F N 1.102 120.929 119.950 -0.205 0.000 2.051 225 F HA -0.298 4.232 4.527 0.007 0.000 0.296 225 F C 2.553 178.212 175.800 -0.236 0.000 1.122 225 F CA 1.757 59.481 58.000 -0.460 0.000 1.201 225 F CB 0.047 38.722 39.000 -0.542 0.000 0.978 225 F HN -0.071 nan 8.300 nan 0.000 0.472 226 K N 0.351 120.683 120.400 -0.113 0.000 2.063 226 K HA -0.214 4.110 4.320 0.006 0.000 0.208 226 K C 2.005 178.507 176.600 -0.163 0.000 1.048 226 K CA 1.723 57.919 56.287 -0.151 0.000 0.928 226 K CB -0.315 32.166 32.500 -0.033 0.000 0.713 226 K HN 0.311 nan 8.250 nan 0.000 0.442 227 I N 1.287 121.789 120.570 -0.112 0.000 2.118 227 I HA -0.330 3.843 4.170 0.006 0.000 0.241 227 I C 2.346 178.373 176.117 -0.150 0.000 1.070 227 I CA 1.713 62.954 61.300 -0.097 0.000 1.327 227 I CB -0.626 37.295 38.000 -0.131 0.000 1.034 227 I HN 0.232 nan 8.210 nan 0.000 0.405 228 I N 0.255 120.684 120.570 -0.235 0.000 2.286 228 I HA -0.322 3.852 4.170 0.006 0.000 0.248 228 I C 2.670 178.617 176.117 -0.282 0.000 1.115 228 I CA 1.341 62.486 61.300 -0.258 0.000 1.392 228 I CB -0.297 37.517 38.000 -0.309 0.000 1.065 228 I HN 0.393 nan 8.210 nan 0.000 0.418 229 Q N 0.520 120.093 119.800 -0.379 0.000 2.049 229 Q HA -0.207 4.136 4.340 0.006 0.000 0.198 229 Q C 2.178 178.073 176.000 -0.174 0.000 0.971 229 Q CA 1.271 56.881 55.803 -0.321 0.000 0.833 229 Q CB -0.074 28.417 28.738 -0.412 0.000 0.896 229 Q HN 0.282 nan 8.270 nan 0.000 0.434 230 K N 0.792 121.108 120.400 -0.140 0.000 2.147 230 K HA -0.105 4.218 4.320 0.006 0.000 0.205 230 K C 1.791 178.353 176.600 -0.064 0.000 1.049 230 K CA 1.247 57.471 56.287 -0.106 0.000 0.936 230 K CB -0.270 32.169 32.500 -0.102 0.000 0.722 230 K HN 0.214 nan 8.250 nan 0.000 0.446 231 A N 0.172 122.981 122.820 -0.018 0.000 1.874 231 A HA -0.068 4.256 4.320 0.006 0.000 0.214 231 A C 1.921 179.476 177.584 -0.047 0.000 1.189 231 A CA 0.908 52.975 52.037 0.050 0.000 0.615 231 A CB -0.498 18.532 19.000 0.051 0.000 0.830 231 A HN 0.146 nan 8.150 nan 0.000 0.443 232 L N 0.528 121.692 121.223 -0.098 0.000 2.127 232 L HA -0.196 4.147 4.340 0.006 0.000 0.211 232 L C 2.567 179.365 176.870 -0.119 0.000 1.089 232 L CA 2.368 57.129 54.840 -0.132 0.000 0.757 232 L CB -0.653 41.339 42.059 -0.112 0.000 0.899 232 L HN 0.771 nan 8.230 nan 0.000 0.434 233 Q N -1.813 117.975 119.800 -0.019 0.000 2.320 233 Q HA -0.057 4.287 4.340 0.006 0.000 0.201 233 Q C 1.226 177.329 176.000 0.171 0.000 0.910 233 Q CA 0.415 56.312 55.803 0.157 0.000 0.946 233 Q CB 0.034 28.816 28.738 0.073 0.000 1.062 233 Q HN 0.156 nan 8.270 nan 0.000 0.503 234 K N 0.066 120.445 120.400 -0.034 0.000 2.564 234 K HA 0.244 4.568 4.320 0.006 0.000 0.205 234 K C 0.620 177.151 176.600 -0.116 0.000 1.053 234 K CA 0.485 56.770 56.287 -0.004 0.000 1.072 234 K CB 0.268 32.775 32.500 0.011 0.000 0.822 234 K HN 0.353 nan 8.250 nan 0.000 0.497 235 G N 0.568 108.972 108.800 -0.661 0.000 2.225 235 G HA2 -0.323 3.640 3.960 0.006 0.000 0.272 235 G HA3 -0.323 3.640 3.960 0.006 0.000 0.272 235 G C 0.008 174.724 174.900 -0.308 0.000 0.996 235 G CA 0.859 45.481 45.100 -0.797 0.000 0.710 235 G HN 0.379 nan 8.290 nan 0.000 0.522 236 S N -0.317 115.290 115.700 -0.154 0.000 2.568 236 S HA 0.393 4.867 4.470 0.006 0.000 0.282 236 S C 0.797 175.338 174.600 -0.099 0.000 1.338 236 S CA -0.189 57.980 58.200 -0.051 0.000 1.045 236 S CB 0.905 64.134 63.200 0.047 0.000 0.873 236 S HN 0.409 nan 8.310 nan 0.000 0.516 237 L N 3.345 124.524 121.223 -0.074 0.000 2.302 237 L HA 0.304 4.648 4.340 0.006 0.000 0.285 237 L C -0.739 176.146 176.870 0.026 0.000 1.090 237 L CA -0.496 54.292 54.840 -0.086 0.000 0.866 237 L CB -0.309 41.630 42.059 -0.199 0.000 1.244 237 L HN 0.379 nan 8.230 nan 0.000 0.435 238 L N 2.793 124.022 121.223 0.011 0.000 2.292 238 L HA 0.612 4.955 4.340 0.006 0.000 0.284 238 L C 0.638 177.560 176.870 0.086 0.000 1.065 238 L CA 0.327 55.197 54.840 0.050 0.000 0.806 238 L CB 1.587 43.633 42.059 -0.022 0.000 1.175 238 L HN 0.499 nan 8.230 nan 0.000 0.431 239 G N 2.372 111.264 108.800 0.153 0.000 2.683 239 G HA2 0.543 4.507 3.960 0.006 0.000 0.299 239 G HA3 0.543 4.507 3.960 0.006 0.000 0.299 239 G C -0.909 174.050 174.900 0.098 0.000 1.432 239 G CA -0.524 44.671 45.100 0.159 0.000 0.978 239 G HN 0.831 nan 8.290 nan 0.000 0.513 240 C N 1.750 121.078 119.300 0.047 0.000 2.391 240 C HA 0.980 5.444 4.460 0.006 0.000 0.339 240 C C 0.541 175.627 174.990 0.160 0.000 1.205 240 C CA -0.685 58.346 59.018 0.022 0.000 1.937 240 C CB 0.855 28.459 27.740 -0.226 0.000 2.341 240 C HN 0.981 nan 8.230 nan 0.000 0.516 241 S N 1.763 117.614 115.700 0.253 0.000 2.667 241 S HA 0.843 5.317 4.470 0.006 0.000 0.292 241 S C -0.980 173.857 174.600 0.396 0.000 1.126 241 S CA -0.791 57.610 58.200 0.335 0.000 0.881 241 S CB 1.050 64.373 63.200 0.205 0.000 1.132 241 S HN 0.852 nan 8.310 nan 0.000 0.492 242 I N 0.829 121.581 120.570 0.304 0.000 2.474 242 I HA 0.466 4.640 4.170 0.006 0.000 0.294 242 I C -0.845 175.340 176.117 0.115 0.000 1.005 242 I CA -0.699 60.720 61.300 0.197 0.000 1.113 242 I CB 1.690 39.749 38.000 0.100 0.000 1.289 242 I HN 0.552 nan 8.210 nan 0.000 0.436 243 D N 4.376 124.799 120.400 0.038 0.000 2.264 243 D HA 0.389 5.033 4.640 0.006 0.000 0.249 243 D C -0.576 175.631 176.300 -0.156 0.000 1.070 243 D CA -0.142 53.737 54.000 -0.203 0.000 0.912 243 D CB 1.795 42.087 40.800 -0.846 0.000 1.193 243 D HN 0.467 nan 8.370 nan 0.000 0.427 244 I N 2.685 123.165 120.570 -0.151 0.000 2.412 244 I HA 0.247 4.421 4.170 0.006 0.000 0.279 244 I C -0.720 175.321 176.117 -0.126 0.000 1.063 244 I CA -0.378 60.860 61.300 -0.103 0.000 1.193 244 I CB 0.203 38.165 38.000 -0.063 0.000 1.370 244 I HN 0.310 nan 8.210 nan 0.000 0.479 245 T N 1.675 116.149 114.554 -0.134 0.000 2.753 245 T HA 0.326 4.680 4.350 0.006 0.000 0.297 245 T C 0.376 175.035 174.700 -0.069 0.000 0.981 245 T CA -0.502 61.528 62.100 -0.118 0.000 0.956 245 T CB 1.022 69.807 68.868 -0.139 0.000 0.936 245 T HN 0.595 nan 8.240 nan 0.000 0.463 246 S N 2.411 118.077 115.700 -0.056 0.000 3.255 246 S HA -0.052 4.422 4.470 0.006 0.000 0.358 246 S C 1.244 175.824 174.600 -0.034 0.000 0.915 246 S CA 0.644 58.821 58.200 -0.039 0.000 1.335 246 S CB -1.964 61.217 63.200 -0.031 0.000 0.938 246 S HN 2.420 nan 8.310 nan 0.000 0.550 247 A N -1.596 121.203 122.820 -0.035 0.000 2.860 247 A HA -0.045 4.279 4.320 0.006 0.000 0.267 247 A C 0.739 178.307 177.584 -0.026 0.000 1.421 247 A CA 1.060 53.080 52.037 -0.029 0.000 0.831 247 A CB -2.131 16.855 19.000 -0.023 0.000 1.041 247 A HN 2.393 nan 8.150 nan 0.000 0.623 248 A N 0.208 123.007 122.820 -0.034 0.000 2.476 248 A HA 0.482 4.805 4.320 0.006 0.000 0.275 248 A C 0.513 178.086 177.584 -0.019 0.000 1.133 248 A CA 0.762 52.782 52.037 -0.028 0.000 0.797 248 A CB 0.009 18.982 19.000 -0.046 0.000 1.081 248 A HN 0.452 nan 8.150 nan 0.000 0.510 249 D N 1.969 122.365 120.400 -0.007 0.000 3.256 249 D HA 0.138 4.781 4.640 0.006 0.000 0.332 249 D C -0.086 176.221 176.300 0.012 0.000 1.327 249 D CA 0.154 54.154 54.000 0.001 0.000 0.735 249 D CB 0.708 41.505 40.800 -0.006 0.000 1.280 249 D HN 0.628 nan 8.370 nan 0.000 0.572 250 S N -0.725 114.988 115.700 0.021 0.000 2.748 250 S HA 0.450 4.923 4.470 0.006 0.000 0.299 250 S C 1.292 175.925 174.600 0.055 0.000 1.119 250 S CA -0.593 57.626 58.200 0.032 0.000 0.997 250 S CB 2.116 65.332 63.200 0.027 0.000 1.223 250 S HN 0.248 nan 8.310 nan 0.000 0.541 251 E N 0.548 120.787 120.200 0.065 0.000 2.065 251 E HA 0.393 4.747 4.350 0.006 0.000 0.191 251 E C 0.544 177.226 176.600 0.137 0.000 0.960 251 E CA 0.246 56.708 56.400 0.104 0.000 0.824 251 E CB -0.673 29.080 29.700 0.089 0.000 0.793 251 E HN 1.492 nan 8.360 nan 0.000 0.459 252 A N 1.698 124.569 122.820 0.084 0.000 1.758 252 A HA -0.052 4.272 4.320 0.006 0.000 0.226 252 A C 0.383 177.992 177.584 0.042 0.000 1.327 252 A CA 0.430 52.498 52.037 0.051 0.000 0.681 252 A CB -1.904 17.123 19.000 0.047 0.000 1.173 252 A HN 0.585 nan 8.150 nan 0.000 0.234 253 I N -0.726 119.857 120.570 0.022 0.000 9.278 253 I HA -0.299 3.875 4.170 0.006 0.000 0.297 253 I C 1.661 177.846 176.117 0.113 0.000 1.907 253 I CA 1.668 62.974 61.300 0.010 0.000 2.024 253 I CB -1.887 36.037 38.000 -0.127 0.000 3.984 253 I HN 1.617 nan 8.210 nan 0.000 0.195 254 T N -0.972 113.666 114.554 0.141 0.000 3.118 254 T HA -0.053 4.301 4.350 0.006 0.000 0.269 254 T C 0.471 175.369 174.700 0.331 0.000 1.166 254 T CA 0.683 62.895 62.100 0.187 0.000 1.073 254 T CB -0.541 68.424 68.868 0.162 0.000 0.884 254 T HN 0.248 nan 8.240 nan 0.000 0.550 255 F N 3.474 123.471 119.950 0.078 0.000 2.502 255 F HA 0.280 4.811 4.527 0.006 0.000 0.371 255 F C 1.442 177.290 175.800 0.080 0.000 1.083 255 F CA -1.430 56.646 58.000 0.128 0.000 1.174 255 F CB 0.168 39.244 39.000 0.127 0.000 1.096 255 F HN 0.003 nan 8.300 nan 0.000 0.545 256 Q N 3.446 123.342 119.800 0.161 0.000 2.576 256 Q HA -0.330 4.013 4.340 0.006 0.000 0.496 256 Q C 1.493 177.544 176.000 0.085 0.000 0.617 256 Q CA 2.848 58.702 55.803 0.083 0.000 0.986 256 Q CB -0.714 28.072 28.738 0.081 0.000 1.433 256 Q HN 0.842 nan 8.270 nan 0.000 0.999 257 K N -2.792 117.655 120.400 0.078 0.000 2.434 257 K HA 0.255 4.578 4.320 0.006 0.000 0.170 257 K C -0.198 176.430 176.600 0.047 0.000 1.738 257 K CA -0.071 56.251 56.287 0.058 0.000 1.027 257 K CB -0.101 32.422 32.500 0.040 0.000 1.595 257 K HN 0.163 nan 8.250 nan 0.000 0.546 258 L N 1.608 122.860 121.223 0.049 0.000 2.331 258 L HA 0.485 4.828 4.340 0.006 0.000 0.275 258 L C 0.194 177.083 176.870 0.032 0.000 1.022 258 L CA -0.998 53.863 54.840 0.035 0.000 0.812 258 L CB 2.282 44.363 42.059 0.037 0.000 1.257 258 L HN -0.064 nan 8.230 nan 0.000 0.435 259 V N 1.976 121.904 119.914 0.023 0.000 3.070 259 V HA 0.079 4.203 4.120 0.006 0.000 0.355 259 V C -0.036 176.066 176.094 0.014 0.000 1.400 259 V CA -0.454 61.857 62.300 0.018 0.000 1.170 259 V CB 0.341 32.172 31.823 0.014 0.000 1.169 259 V HN 0.731 nan 8.190 nan 0.000 0.554 260 K N 0.725 121.141 120.400 0.027 0.000 2.295 260 K HA 0.280 4.604 4.320 0.006 0.000 0.270 260 K C 0.492 177.133 176.600 0.068 0.000 1.011 260 K CA 0.196 56.498 56.287 0.025 0.000 0.953 260 K CB 1.159 33.661 32.500 0.003 0.000 0.956 260 K HN 0.213 nan 8.250 nan 0.000 0.477 261 G N 3.101 111.926 108.800 0.041 0.000 3.101 261 G HA2 0.035 3.999 3.960 0.006 0.000 0.272 261 G HA3 0.035 3.999 3.960 0.006 0.000 0.272 261 G C -0.805 174.141 174.900 0.076 0.000 0.801 261 G CA -0.222 44.914 45.100 0.060 0.000 1.978 261 G HN 0.765 nan 8.290 nan 0.000 0.591 262 H N 1.350 120.405 119.070 -0.025 0.000 2.511 262 H HA 0.602 5.162 4.556 0.006 0.000 0.328 262 H C 0.141 175.367 175.328 -0.170 0.000 1.044 262 H CA -0.604 55.328 56.048 -0.194 0.000 1.212 262 H CB 1.472 31.059 29.762 -0.292 0.000 1.428 262 H HN 0.369 nan 8.280 nan 0.000 0.483 263 A N 5.429 127.976 122.820 -0.455 0.000 2.451 263 A HA 0.369 4.693 4.320 0.006 0.000 0.266 263 A C -1.079 176.375 177.584 -0.217 0.000 1.119 263 A CA 0.046 51.991 52.037 -0.152 0.000 0.786 263 A CB -0.492 18.529 19.000 0.035 0.000 1.061 263 A HN 0.709 nan 8.150 nan 0.000 0.503 264 Y N 0.792 121.114 120.300 0.037 0.000 2.621 264 Y HA 0.646 5.200 4.550 0.006 0.000 0.334 264 Y C 0.782 176.673 175.900 -0.015 0.000 1.074 264 Y CA -0.387 57.728 58.100 0.025 0.000 1.149 264 Y CB 2.088 40.538 38.460 -0.017 0.000 1.302 264 Y HN 0.640 nan 8.280 nan 0.000 0.501 265 S N -0.095 115.697 115.700 0.154 0.000 2.600 265 S HA 0.733 5.207 4.470 0.006 0.000 0.300 265 S C -1.721 172.856 174.600 -0.038 0.000 1.087 265 S CA -0.607 57.619 58.200 0.042 0.000 0.965 265 S CB 1.100 64.312 63.200 0.020 0.000 1.089 265 S HN 0.358 nan 8.310 nan 0.000 0.496 266 V N 3.969 123.838 119.914 -0.075 0.000 2.293 266 V HA 0.315 4.439 4.120 0.006 0.000 0.275 266 V C 1.197 177.216 176.094 -0.126 0.000 1.021 266 V CA -0.085 62.138 62.300 -0.129 0.000 0.815 266 V CB 0.383 32.127 31.823 -0.131 0.000 1.025 266 V HN 1.089 nan 8.190 nan 0.000 0.448 267 T N 0.499 114.963 114.554 -0.149 0.000 3.037 267 T HA 0.342 4.695 4.350 0.006 0.000 0.251 267 T C 0.750 175.353 174.700 -0.162 0.000 1.079 267 T CA 0.529 62.550 62.100 -0.131 0.000 1.067 267 T CB 0.593 69.397 68.868 -0.108 0.000 0.948 267 T HN 0.773 nan 8.240 nan 0.000 0.496 268 G N -0.250 108.381 108.800 -0.281 0.000 2.660 268 G HA2 0.682 4.645 3.960 0.006 0.000 0.294 268 G HA3 0.682 4.645 3.960 0.006 0.000 0.294 268 G C -1.636 173.130 174.900 -0.224 0.000 1.369 268 G CA -0.669 44.237 45.100 -0.324 0.000 0.912 268 G HN 0.747 nan 8.290 nan 0.000 0.479 269 A N 1.276 124.104 122.820 0.013 0.000 2.562 269 A HA 0.654 4.978 4.320 0.006 0.000 0.297 269 A C -1.111 176.594 177.584 0.200 0.000 1.100 269 A CA -0.538 51.556 52.037 0.094 0.000 0.914 269 A CB 1.167 19.997 19.000 -0.283 0.000 1.490 269 A HN 0.405 nan 8.150 nan 0.000 0.391 270 E N 0.950 121.454 120.200 0.507 0.000 2.288 270 E HA 0.381 4.735 4.350 0.006 0.000 0.268 270 E C -0.972 175.824 176.600 0.327 0.000 0.885 270 E CA -0.533 56.066 56.400 0.331 0.000 0.767 270 E CB 2.471 32.276 29.700 0.175 0.000 1.220 270 E HN 0.727 nan 8.360 nan 0.000 0.427 271 E N 1.814 122.173 120.200 0.265 0.000 2.134 271 E HA 0.391 4.745 4.350 0.006 0.000 0.278 271 E C -0.813 175.790 176.600 0.004 0.000 0.959 271 E CA -0.661 55.793 56.400 0.090 0.000 0.783 271 E CB 1.028 30.813 29.700 0.141 0.000 1.095 271 E HN 0.302 nan 8.360 nan 0.000 0.399 272 V N 1.371 121.243 119.914 -0.071 0.000 2.735 272 V HA 0.461 4.585 4.120 0.006 0.000 0.310 272 V C -0.362 175.720 176.094 -0.020 0.000 1.061 272 V CA -1.143 61.123 62.300 -0.057 0.000 0.913 272 V CB 1.693 33.451 31.823 -0.107 0.000 1.005 272 V HN 0.738 nan 8.190 nan 0.000 0.428 273 E N 2.528 122.735 120.200 0.013 0.000 2.104 273 E HA 0.342 4.696 4.350 0.006 0.000 0.278 273 E C -0.192 176.444 176.600 0.060 0.000 1.127 273 E CA 0.160 56.578 56.400 0.031 0.000 0.897 273 E CB 0.690 30.406 29.700 0.027 0.000 1.043 273 E HN 0.905 nan 8.360 nan 0.000 0.410 274 S N 5.174 120.923 115.700 0.083 0.000 2.474 274 S HA 0.210 4.683 4.470 0.006 0.000 0.320 274 S C -0.420 174.211 174.600 0.051 0.000 1.067 274 S CA -0.595 57.668 58.200 0.104 0.000 1.127 274 S CB -0.105 63.222 63.200 0.211 0.000 0.971 274 S HN 0.726 nan 8.310 nan 0.000 0.472 275 N N 3.229 121.948 118.700 0.031 0.000 2.714 275 N HA -0.198 4.546 4.740 0.006 0.000 0.250 275 N C 0.806 176.326 175.510 0.017 0.000 1.117 275 N CA 1.571 54.630 53.050 0.015 0.000 0.719 275 N CB -1.549 36.938 38.487 -0.001 0.000 1.081 275 N HN 1.261 nan 8.380 nan 0.000 0.557 276 G N -2.213 106.601 108.800 0.023 0.000 2.175 276 G HA2 -0.325 3.639 3.960 0.006 0.000 0.244 276 G HA3 -0.325 3.639 3.960 0.006 0.000 0.244 276 G C 0.834 175.746 174.900 0.021 0.000 0.982 276 G CA 1.125 46.236 45.100 0.020 0.000 0.641 276 G HN 0.642 nan 8.290 nan 0.000 0.527 277 S N -0.853 114.863 115.700 0.028 0.000 2.425 277 S HA 0.368 4.842 4.470 0.006 0.000 0.225 277 S C 0.866 175.481 174.600 0.025 0.000 1.024 277 S CA 1.409 59.626 58.200 0.029 0.000 0.951 277 S CB -0.223 63.001 63.200 0.040 0.000 0.796 277 S HN 1.388 nan 8.310 nan 0.000 0.498 278 L N 1.811 123.050 121.223 0.026 0.000 2.443 278 L HA -0.080 4.264 4.340 0.006 0.000 0.645 278 L C -1.032 175.831 176.870 -0.012 0.000 1.007 278 L CA 0.429 55.272 54.840 0.004 0.000 1.350 278 L CB -1.011 41.046 42.059 -0.003 0.000 2.011 278 L HN 0.363 nan 8.230 nan 0.000 0.954 279 Q N 3.246 123.028 119.800 -0.030 0.000 2.307 279 Q HA 0.431 4.774 4.340 0.006 0.000 0.262 279 Q C 0.002 175.882 176.000 -0.199 0.000 0.961 279 Q CA -0.524 55.233 55.803 -0.077 0.000 0.882 279 Q CB 2.020 30.736 28.738 -0.037 0.000 1.264 279 Q HN 0.360 nan 8.270 nan 0.000 0.446 280 K N 3.127 123.371 120.400 -0.261 0.000 2.284 280 K HA 0.402 4.726 4.320 0.006 0.000 0.287 280 K C -0.254 176.186 176.600 -0.267 0.000 1.081 280 K CA -0.107 55.873 56.287 -0.511 0.000 0.910 280 K CB 0.667 32.517 32.500 -1.082 0.000 1.088 280 K HN 0.372 nan 8.250 nan 0.000 0.478 281 L N 4.079 125.250 121.223 -0.088 0.000 2.344 281 L HA 0.578 4.922 4.340 0.006 0.000 0.272 281 L C -0.166 176.922 176.870 0.363 0.000 1.035 281 L CA -1.054 53.815 54.840 0.047 0.000 0.807 281 L CB 1.362 43.366 42.059 -0.092 0.000 1.237 281 L HN 0.571 nan 8.230 nan 0.000 0.442 282 I N 2.297 123.043 120.570 0.293 0.000 2.478 282 I HA 0.324 4.498 4.170 0.006 0.000 0.287 282 I C -0.486 175.604 176.117 -0.045 0.000 1.042 282 I CA -0.547 60.846 61.300 0.155 0.000 1.067 282 I CB 1.542 39.626 38.000 0.140 0.000 1.233 282 I HN 0.619 nan 8.210 nan 0.000 0.431 283 R N 7.896 128.144 120.500 -0.419 0.000 2.234 283 R HA 0.452 4.795 4.340 0.006 0.000 0.324 283 R C -0.948 175.134 176.300 -0.363 0.000 1.054 283 R CA -0.512 55.154 56.100 -0.724 0.000 0.912 283 R CB 0.706 30.034 30.300 -1.620 0.000 1.030 283 R HN 0.511 nan 8.270 nan 0.000 0.455 284 I N 3.440 123.895 120.570 -0.190 0.000 2.822 284 I HA 0.470 4.644 4.170 0.006 0.000 0.312 284 I C 0.207 176.451 176.117 0.213 0.000 1.011 284 I CA -0.774 60.456 61.300 -0.116 0.000 1.105 284 I CB 1.522 39.283 38.000 -0.399 0.000 1.291 284 I HN 0.606 nan 8.210 nan 0.000 0.474 285 R N 2.528 123.178 120.500 0.249 0.000 2.533 285 R HA 0.331 4.674 4.340 0.006 0.000 0.288 285 R C -1.279 175.300 176.300 0.464 0.000 1.039 285 R CA -0.607 55.695 56.100 0.337 0.000 0.909 285 R CB 1.210 31.565 30.300 0.092 0.000 1.195 285 R HN 0.617 nan 8.270 nan 0.000 0.438 286 N N 5.326 124.418 118.700 0.654 0.000 2.415 286 N HA 0.212 4.956 4.740 0.006 0.000 0.246 286 N C -1.954 173.733 175.510 0.294 0.000 1.078 286 N CA -2.028 51.372 53.050 0.583 0.000 0.942 286 N CB 1.557 40.506 38.487 0.770 0.000 1.140 286 N HN 0.419 nan 8.380 nan 0.000 0.501 287 P HA -0.130 nan 4.420 nan 0.000 0.221 287 P C 0.402 177.461 177.300 -0.402 0.000 1.141 287 P CA 1.214 64.180 63.100 -0.225 0.000 0.794 287 P CB 0.080 31.473 31.700 -0.511 0.000 0.764 288 W N -2.329 118.991 121.300 0.034 0.000 3.013 288 W HA 0.295 4.959 4.660 0.006 0.000 0.280 288 W C 1.529 178.082 176.519 0.057 0.000 1.249 288 W CA 0.857 58.231 57.345 0.048 0.000 1.577 288 W CB 0.357 29.870 29.460 0.089 0.000 1.057 288 W HN 0.109 nan 8.180 nan 0.000 0.613 289 G N 0.979 109.923 108.800 0.241 0.000 3.349 289 G HA2 -0.259 3.705 3.960 0.006 0.000 0.202 289 G HA3 -0.259 3.705 3.960 0.006 0.000 0.202 289 G C -0.174 174.832 174.900 0.177 0.000 1.588 289 G CA -0.419 44.773 45.100 0.155 0.000 1.198 289 G HN 0.104 nan 8.290 nan 0.000 0.588 290 E N 1.328 121.645 120.200 0.195 0.000 2.900 290 E HA 0.278 4.632 4.350 0.006 0.000 0.259 290 E C 1.387 178.151 176.600 0.273 0.000 0.918 290 E CA 0.630 57.139 56.400 0.183 0.000 0.960 290 E CB 1.210 31.005 29.700 0.159 0.000 0.908 290 E HN 0.395 nan 8.360 nan 0.000 0.511 291 V N 2.939 122.965 119.914 0.187 0.000 2.320 291 V HA -0.128 3.996 4.120 0.006 0.000 0.219 291 V C 0.038 176.445 176.094 0.520 0.000 1.055 291 V CA 0.966 63.393 62.300 0.211 0.000 1.054 291 V CB -0.502 31.307 31.823 -0.023 0.000 0.671 291 V HN 0.913 nan 8.190 nan 0.000 0.474 292 E N -0.877 119.540 120.200 0.362 0.000 2.442 292 E HA -0.210 4.143 4.350 0.006 0.000 0.177 292 E C -1.187 175.695 176.600 0.470 0.000 1.505 292 E CA 0.904 57.501 56.400 0.328 0.000 0.662 292 E CB -1.064 28.785 29.700 0.250 0.000 1.117 292 E HN 0.542 nan 8.360 nan 0.000 0.375 293 W N 2.330 123.770 121.300 0.233 0.000 3.028 293 W HA 0.331 4.995 4.660 0.007 0.000 0.315 293 W C -0.633 175.971 176.519 0.141 0.000 1.062 293 W CA -0.454 56.992 57.345 0.168 0.000 1.226 293 W CB 0.813 30.444 29.460 0.286 0.000 1.100 293 W HN 0.055 nan 8.180 nan 0.000 0.364 294 T N 4.469 118.739 114.554 -0.474 0.000 2.905 294 T HA 0.427 4.781 4.350 0.006 0.000 0.299 294 T C 0.873 175.127 174.700 -0.742 0.000 1.024 294 T CA 2.022 63.851 62.100 -0.450 0.000 1.151 294 T CB 0.470 69.143 68.868 -0.324 0.000 0.987 294 T HN 1.186 nan 8.240 nan 0.000 0.535 295 G N 2.897 111.475 108.800 -0.371 0.000 2.952 295 G HA2 -0.126 3.838 3.960 0.006 0.000 0.226 295 G HA3 -0.126 3.838 3.960 0.006 0.000 0.226 295 G C 0.268 175.167 174.900 -0.001 0.000 1.462 295 G CA 0.311 45.241 45.100 -0.283 0.000 1.157 295 G HN 0.763 nan 8.290 nan 0.000 0.544 296 R N -3.148 117.468 120.500 0.194 0.000 1.588 296 R HA 0.153 4.497 4.340 0.006 0.000 0.030 296 R C -1.328 175.633 176.300 1.101 0.000 0.818 296 R CA 1.294 57.780 56.100 0.644 0.000 3.474 296 R CB -0.149 30.572 30.300 0.701 0.000 0.772 296 R HN 1.602 nan 8.270 nan 0.000 0.576 297 W N 2.273 123.923 121.300 0.583 0.000 3.662 297 W HA 0.439 5.103 4.660 0.007 0.000 0.308 297 W C -1.316 175.332 176.519 0.214 0.000 1.128 297 W CA -1.239 56.469 57.345 0.605 0.000 1.305 297 W CB -0.313 29.323 29.460 0.294 0.000 1.097 297 W HN 0.117 nan 8.180 nan 0.000 0.393 298 N N 2.649 121.579 118.700 0.383 0.000 2.256 298 N HA 0.012 4.756 4.740 0.006 0.000 0.252 298 N C -0.495 174.916 175.510 -0.166 0.000 1.274 298 N CA 0.925 53.983 53.050 0.013 0.000 0.872 298 N CB -0.083 38.493 38.487 0.149 0.000 0.982 298 N HN 0.522 nan 8.380 nan 0.000 0.445 299 D N -0.073 120.292 120.400 -0.058 0.000 3.241 299 D HA -0.149 4.495 4.640 0.006 0.000 0.248 299 D C -1.143 175.005 176.300 -0.253 0.000 1.093 299 D CA 0.428 54.373 54.000 -0.092 0.000 0.940 299 D CB -1.607 39.205 40.800 0.019 0.000 0.980 299 D HN 0.664 nan 8.370 nan 0.000 0.421 300 N N 0.375 118.959 118.700 -0.193 0.000 2.725 300 N HA -0.307 4.436 4.740 0.006 0.000 0.249 300 N C 1.586 176.902 175.510 -0.323 0.000 1.103 300 N CA 0.942 53.867 53.050 -0.208 0.000 0.707 300 N CB -1.995 36.387 38.487 -0.174 0.000 1.043 300 N HN 0.624 nan 8.380 nan 0.000 0.553 301 C N -0.778 118.297 119.300 -0.376 0.000 2.362 301 C HA -0.271 4.193 4.460 0.006 0.000 0.242 301 C C -0.388 174.332 174.990 -0.451 0.000 1.022 301 C CA 1.593 60.340 59.018 -0.451 0.000 1.909 301 C CB -2.279 25.324 27.740 -0.228 0.000 2.175 301 C HN 0.499 nan 8.230 nan 0.000 0.420 302 P HA 0.024 nan 4.420 nan 0.000 0.311 302 P C 0.461 177.615 177.300 -0.244 0.000 1.543 302 P CA 1.255 64.271 63.100 -0.141 0.000 0.766 302 P CB -0.755 30.901 31.700 -0.073 0.000 1.711 303 S N -3.287 112.062 115.700 -0.585 0.000 2.710 303 S HA 0.052 4.526 4.470 0.006 0.000 0.224 303 S C 0.811 175.130 174.600 -0.468 0.000 0.948 303 S CA -0.487 57.287 58.200 -0.710 0.000 0.949 303 S CB -0.740 61.599 63.200 -1.434 0.000 0.778 303 S HN 0.393 nan 8.310 nan 0.000 0.498 304 W N 1.700 122.969 121.300 -0.051 0.000 3.278 304 W HA 0.389 5.052 4.660 0.006 0.000 0.308 304 W C 1.352 177.886 176.519 0.026 0.000 1.253 304 W CA -0.746 56.637 57.345 0.063 0.000 1.759 304 W CB 0.086 29.588 29.460 0.070 0.000 1.093 304 W HN 0.371 nan 8.180 nan 0.000 0.648 305 N N -0.538 118.259 118.700 0.162 0.000 2.211 305 N HA -0.012 4.731 4.740 0.006 0.000 0.216 305 N C 0.472 176.010 175.510 0.046 0.000 1.240 305 N CA 0.393 53.503 53.050 0.100 0.000 0.895 305 N CB 0.266 38.795 38.487 0.069 0.000 1.102 305 N HN -0.106 nan 8.380 nan 0.000 0.498 306 T N 0.719 115.275 114.554 0.003 0.000 2.855 306 T HA 0.293 4.647 4.350 0.006 0.000 0.290 306 T C 0.570 175.279 174.700 0.015 0.000 0.941 306 T CA -0.397 61.691 62.100 -0.019 0.000 1.030 306 T CB -0.551 68.266 68.868 -0.084 0.000 0.935 306 T HN 0.010 nan 8.240 nan 0.000 0.564 307 I N 1.794 122.380 120.570 0.027 0.000 3.738 307 I HA -0.161 4.012 4.170 0.006 0.000 0.126 307 I C 0.087 176.241 176.117 0.060 0.000 1.027 307 I CA 1.042 62.365 61.300 0.037 0.000 2.739 307 I CB -1.489 36.527 38.000 0.026 0.000 1.336 307 I HN 0.880 nan 8.210 nan 0.000 0.342 308 D N 4.755 125.204 120.400 0.082 0.000 2.318 308 D HA 0.327 4.971 4.640 0.006 0.000 0.233 308 D C -2.595 173.772 176.300 0.111 0.000 1.348 308 D CA -1.203 52.868 54.000 0.117 0.000 0.983 308 D CB 2.118 43.034 40.800 0.193 0.000 1.416 308 D HN 0.099 nan 8.370 nan 0.000 0.558 309 P HA 0.147 nan 4.420 nan 0.000 0.272 309 P C 0.537 177.873 177.300 0.061 0.000 1.240 309 P CA -0.170 62.966 63.100 0.060 0.000 0.791 309 P CB 1.190 32.915 31.700 0.040 0.000 0.978 310 E N 0.186 120.413 120.200 0.044 0.000 2.472 310 E HA -0.145 4.209 4.350 0.006 0.000 0.200 310 E C 0.845 177.454 176.600 0.014 0.000 1.046 310 E CA 0.542 56.959 56.400 0.028 0.000 0.871 310 E CB 0.017 29.727 29.700 0.017 0.000 0.806 310 E HN 0.290 nan 8.360 nan 0.000 0.533 311 E N 0.228 120.439 120.200 0.019 0.000 2.526 311 E HA -0.114 4.240 4.350 0.006 0.000 0.198 311 E C 1.264 177.869 176.600 0.009 0.000 1.091 311 E CA 0.459 56.866 56.400 0.011 0.000 0.880 311 E CB 0.388 30.096 29.700 0.013 0.000 0.873 311 E HN 0.116 nan 8.360 nan 0.000 0.527 312 R N -0.467 120.041 120.500 0.013 0.000 2.517 312 R HA 0.030 4.374 4.340 0.006 0.000 0.228 312 R C 1.395 177.693 176.300 -0.002 0.000 0.950 312 R CA 0.256 56.359 56.100 0.004 0.000 1.314 312 R CB -0.123 30.189 30.300 0.019 0.000 1.739 312 R HN -0.144 nan 8.270 nan 0.000 0.481 313 E N 1.705 121.919 120.200 0.024 0.000 2.112 313 E HA -0.100 4.254 4.350 0.006 0.000 0.190 313 E C 1.420 177.959 176.600 -0.101 0.000 0.979 313 E CA 1.402 57.803 56.400 0.002 0.000 0.814 313 E CB 0.110 29.853 29.700 0.071 0.000 0.762 313 E HN 0.486 nan 8.360 nan 0.000 0.460 314 R N 0.344 120.808 120.500 -0.059 0.000 2.189 314 R HA -0.006 4.337 4.340 0.006 0.000 0.223 314 R C 2.526 178.780 176.300 -0.077 0.000 1.092 314 R CA 0.917 56.977 56.100 -0.066 0.000 0.989 314 R CB -0.630 29.647 30.300 -0.037 0.000 0.876 314 R HN 0.170 nan 8.270 nan 0.000 0.457 315 L N 1.274 122.452 121.223 -0.074 0.000 2.023 315 L HA -0.022 4.322 4.340 0.006 0.000 0.205 315 L C 1.216 178.040 176.870 -0.076 0.000 1.073 315 L CA 1.365 56.168 54.840 -0.062 0.000 0.745 315 L CB -0.171 41.863 42.059 -0.042 0.000 0.900 315 L HN 0.337 nan 8.230 nan 0.000 0.435 316 T N -0.526 113.927 114.554 -0.167 0.000 2.856 316 T HA 0.034 4.388 4.350 0.006 0.000 0.306 316 T C 0.651 175.225 174.700 -0.209 0.000 1.062 316 T CA -0.240 61.718 62.100 -0.236 0.000 1.083 316 T CB 0.399 68.816 68.868 -0.752 0.000 0.984 316 T HN 0.417 nan 8.240 nan 0.000 0.542 317 R N 0.711 121.180 120.500 -0.052 0.000 3.875 317 R HA -0.179 4.164 4.340 0.006 0.000 0.321 317 R C 1.408 177.687 176.300 -0.036 0.000 1.196 317 R CA 1.424 57.489 56.100 -0.058 0.000 0.868 317 R CB -2.339 27.825 30.300 -0.227 0.000 1.333 317 R HN 0.965 nan 8.270 nan 0.000 0.522 318 R N -0.568 119.917 120.500 -0.025 0.000 2.048 318 R HA 0.068 4.412 4.340 0.006 0.000 0.224 318 R C 1.267 177.581 176.300 0.023 0.000 1.163 318 R CA 0.508 56.581 56.100 -0.046 0.000 0.956 318 R CB -0.467 29.762 30.300 -0.117 0.000 0.849 318 R HN 0.460 nan 8.270 nan 0.000 0.435 319 H N 0.717 119.805 119.070 0.031 0.000 1.920 319 H HA -0.018 4.542 4.556 0.006 0.000 0.367 319 H C -0.284 175.042 175.328 -0.004 0.000 2.361 319 H CA 0.645 56.700 56.048 0.012 0.000 1.299 319 H CB 0.267 30.035 29.762 0.009 0.000 1.521 319 H HN 0.331 nan 8.280 nan 0.000 0.424 320 E N -0.032 120.249 120.200 0.136 0.000 2.375 320 E HA 0.121 4.475 4.350 0.006 0.000 0.280 320 E C -1.714 174.871 176.600 -0.025 0.000 0.972 320 E CA -0.828 55.591 56.400 0.032 0.000 0.782 320 E CB 2.332 32.044 29.700 0.020 0.000 1.229 320 E HN 0.567 nan 8.360 nan 0.000 0.439 321 D N 0.774 121.154 120.400 -0.034 0.000 6.041 321 D HA -0.109 4.535 4.640 0.006 0.000 0.239 321 D C 0.143 176.401 176.300 -0.070 0.000 1.667 321 D CA 1.386 55.357 54.000 -0.048 0.000 1.478 321 D CB -0.417 40.355 40.800 -0.047 0.000 0.683 321 D HN 0.959 nan 8.370 nan 0.000 0.375 322 G N 2.693 111.431 108.800 -0.103 0.000 2.415 322 G HA2 -0.210 3.754 3.960 0.006 0.000 0.283 322 G HA3 -0.210 3.754 3.960 0.006 0.000 0.283 322 G C -0.145 174.600 174.900 -0.257 0.000 1.014 322 G CA 0.644 45.658 45.100 -0.143 0.000 1.323 322 G HN 0.649 nan 8.290 nan 0.000 0.502 323 E N 0.046 119.968 120.200 -0.464 0.000 2.183 323 E HA 0.663 5.016 4.350 0.006 0.000 0.250 323 E C 0.568 176.948 176.600 -0.367 0.000 0.901 323 E CA -0.720 55.520 56.400 -0.266 0.000 0.741 323 E CB 0.406 30.042 29.700 -0.106 0.000 1.182 323 E HN 0.332 nan 8.360 nan 0.000 0.425 324 F N 1.195 121.207 119.950 0.103 0.000 2.432 324 F HA 0.287 4.818 4.527 0.006 0.000 0.247 324 F C 0.064 176.093 175.800 0.382 0.000 0.972 324 F CA -0.354 57.751 58.000 0.175 0.000 1.083 324 F CB 0.230 39.163 39.000 -0.111 0.000 1.285 324 F HN 0.447 nan 8.300 nan 0.000 0.693 325 W N 2.032 123.533 121.300 0.336 0.000 3.193 325 W HA -0.178 4.485 4.660 0.006 0.000 0.344 325 W C 0.043 176.672 176.519 0.183 0.000 1.336 325 W CA -0.404 57.103 57.345 0.269 0.000 0.647 325 W CB -1.552 28.190 29.460 0.471 0.000 2.441 325 W HN 0.004 nan 8.180 nan 0.000 1.193 326 M N 0.477 120.117 119.600 0.067 0.000 2.232 326 M HA 0.421 4.905 4.480 0.006 0.000 0.321 326 M C 1.101 177.479 176.300 0.131 0.000 1.101 326 M CA 0.681 55.999 55.300 0.030 0.000 1.181 326 M CB 0.427 32.673 32.600 -0.590 0.000 1.432 326 M HN 0.114 nan 8.290 nan 0.000 0.457 327 S N 1.425 117.273 115.700 0.246 0.000 2.572 327 S HA 0.080 4.553 4.470 0.006 0.000 0.279 327 S C 0.465 175.184 174.600 0.199 0.000 1.341 327 S CA -0.660 57.622 58.200 0.136 0.000 1.043 327 S CB 0.429 63.805 63.200 0.294 0.000 0.887 327 S HN 0.736 nan 8.310 nan 0.000 0.516 328 F N 3.060 122.995 119.950 -0.026 0.000 2.307 328 F HA -0.090 4.441 4.527 0.006 0.000 0.301 328 F C 2.475 178.304 175.800 0.047 0.000 1.076 328 F CA 1.276 59.254 58.000 -0.036 0.000 1.383 328 F CB -1.079 37.870 39.000 -0.084 0.000 1.055 328 F HN 0.790 nan 8.300 nan 0.000 0.526 329 S N 0.029 115.801 115.700 0.120 0.000 2.571 329 S HA -0.230 4.244 4.470 0.006 0.000 0.245 329 S C 1.571 176.191 174.600 0.034 0.000 0.976 329 S CA 0.920 59.164 58.200 0.073 0.000 0.954 329 S CB -1.322 61.934 63.200 0.093 0.000 0.756 329 S HN 0.695 nan 8.310 nan 0.000 0.535 330 D N 1.255 121.682 120.400 0.045 0.000 2.239 330 D HA -0.276 4.368 4.640 0.006 0.000 0.202 330 D C 1.264 177.574 176.300 0.017 0.000 0.993 330 D CA 1.180 55.278 54.000 0.163 0.000 0.874 330 D CB -1.155 39.649 40.800 0.006 0.000 0.922 330 D HN 0.510 nan 8.370 nan 0.000 0.464 331 F N 0.345 120.228 119.950 -0.111 0.000 2.286 331 F HA -0.220 4.310 4.527 0.006 0.000 0.301 331 F C 2.083 177.828 175.800 -0.092 0.000 1.043 331 F CA 0.663 58.580 58.000 -0.139 0.000 1.380 331 F CB -0.297 38.542 39.000 -0.268 0.000 1.087 331 F HN 0.077 nan 8.300 nan 0.000 0.537 332 L N -0.599 120.604 121.223 -0.033 0.000 1.933 332 L HA -0.223 4.121 4.340 0.006 0.000 0.220 332 L C 2.114 179.000 176.870 0.027 0.000 1.078 332 L CA 1.465 56.199 54.840 -0.176 0.000 0.773 332 L CB -0.580 41.018 42.059 -0.767 0.000 0.890 332 L HN 0.103 nan 8.230 nan 0.000 0.434 333 R N -0.447 120.175 120.500 0.203 0.000 2.541 333 R HA 0.097 4.441 4.340 0.006 0.000 0.254 333 R C -0.868 175.495 176.300 0.105 0.000 1.130 333 R CA -0.363 55.859 56.100 0.204 0.000 1.152 333 R CB 0.529 31.006 30.300 0.296 0.000 1.222 333 R HN 0.376 nan 8.270 nan 0.000 0.579 334 H N 0.036 119.176 119.070 0.118 0.000 4.024 334 H HA -0.181 4.379 4.556 0.006 0.000 0.307 334 H C -0.683 174.744 175.328 0.164 0.000 0.778 334 H CA 0.825 56.923 56.048 0.084 0.000 0.888 334 H CB -1.029 28.705 29.762 -0.047 0.000 1.321 334 H HN 0.802 nan 8.280 nan 0.000 0.330 335 Y N 2.218 122.617 120.300 0.166 0.000 2.482 335 Y HA 0.224 4.778 4.550 0.006 0.000 0.270 335 Y C 0.890 176.889 175.900 0.165 0.000 1.152 335 Y CA 1.135 59.321 58.100 0.144 0.000 1.292 335 Y CB 0.815 39.337 38.460 0.103 0.000 1.070 335 Y HN 0.530 nan 8.280 nan 0.000 0.528 336 S N 0.230 116.082 115.700 0.253 0.000 2.567 336 S HA 0.577 5.051 4.470 0.006 0.000 0.270 336 S C -1.811 172.887 174.600 0.164 0.000 1.152 336 S CA -0.918 57.397 58.200 0.191 0.000 0.835 336 S CB 1.698 65.040 63.200 0.236 0.000 1.115 336 S HN 0.207 nan 8.310 nan 0.000 0.459 337 R N 1.978 122.584 120.500 0.177 0.000 2.515 337 R HA 0.554 4.898 4.340 0.006 0.000 0.278 337 R C -1.966 174.455 176.300 0.202 0.000 1.107 337 R CA -0.590 55.596 56.100 0.142 0.000 0.945 337 R CB 1.113 31.459 30.300 0.077 0.000 1.219 337 R HN 0.756 nan 8.270 nan 0.000 0.434 338 L N 1.640 122.947 121.223 0.140 0.000 2.385 338 L HA 0.662 5.005 4.340 0.006 0.000 0.273 338 L C -0.392 176.570 176.870 0.153 0.000 0.990 338 L CA -0.857 54.068 54.840 0.142 0.000 0.821 338 L CB 2.083 44.135 42.059 -0.010 0.000 1.279 338 L HN 0.456 nan 8.230 nan 0.000 0.412 339 E N 3.615 123.907 120.200 0.152 0.000 2.187 339 E HA 0.439 4.793 4.350 0.006 0.000 0.268 339 E C -1.123 175.540 176.600 0.105 0.000 0.896 339 E CA -0.682 55.799 56.400 0.135 0.000 0.766 339 E CB 2.951 32.690 29.700 0.065 0.000 1.142 339 E HN 0.495 nan 8.360 nan 0.000 0.408 340 I N 2.838 123.496 120.570 0.148 0.000 2.312 340 I HA 0.069 4.243 4.170 0.006 0.000 0.291 340 I C -0.261 175.803 176.117 -0.087 0.000 1.031 340 I CA -0.742 60.581 61.300 0.039 0.000 1.293 340 I CB 0.463 38.520 38.000 0.096 0.000 1.403 340 I HN 0.608 nan 8.210 nan 0.000 0.484 341 C N 6.934 126.071 119.300 -0.271 0.000 2.145 341 C HA 0.247 4.711 4.460 0.006 0.000 0.374 341 C C 0.779 175.617 174.990 -0.254 0.000 1.035 341 C CA -1.300 57.508 59.018 -0.351 0.000 1.431 341 C CB -2.024 25.193 27.740 -0.872 0.000 1.789 341 C HN 0.612 nan 8.230 nan 0.000 0.483 342 N N 2.084 120.791 118.700 0.011 0.000 2.187 342 N HA 0.086 4.829 4.740 0.006 0.000 0.236 342 N C -0.128 175.586 175.510 0.340 0.000 1.244 342 N CA 0.300 53.428 53.050 0.130 0.000 0.850 342 N CB 0.291 38.839 38.487 0.101 0.000 1.090 342 N HN 0.550 nan 8.380 nan 0.000 0.450 343 L N -1.584 119.793 121.223 0.257 0.000 2.416 343 L HA 0.476 4.819 4.340 0.006 0.000 0.262 343 L C 1.684 178.618 176.870 0.107 0.000 1.093 343 L CA -0.686 54.244 54.840 0.149 0.000 0.801 343 L CB -0.755 41.356 42.059 0.087 0.000 1.191 343 L HN 0.510 nan 8.230 nan 0.000 0.459 344 T N -0.198 114.389 114.554 0.054 0.000 2.594 344 T HA -0.152 4.201 4.350 0.006 0.000 0.266 344 T C -0.617 174.107 174.700 0.040 0.000 1.070 344 T CA 2.437 64.573 62.100 0.059 0.000 1.166 344 T CB -1.577 67.307 68.868 0.027 0.000 0.862 344 T HN 0.819 nan 8.240 nan 0.000 0.436 345 P HA 0.023 nan 4.420 nan 0.000 0.233 345 P C 1.061 178.321 177.300 -0.066 0.000 1.167 345 P CA 0.752 63.837 63.100 -0.025 0.000 0.770 345 P CB -0.039 31.641 31.700 -0.034 0.000 0.837 346 D N 0.675 121.055 120.400 -0.033 0.000 2.154 346 D HA -0.101 4.542 4.640 0.006 0.000 0.190 346 D C 0.180 176.442 176.300 -0.063 0.000 1.003 346 D CA 1.199 55.164 54.000 -0.057 0.000 0.849 346 D CB -0.210 40.599 40.800 0.015 0.000 0.942 346 D HN 0.139 nan 8.370 nan 0.000 0.446 347 T N 1.259 115.808 114.554 -0.008 0.000 2.794 347 T HA 0.159 4.513 4.350 0.006 0.000 0.296 347 T C 0.374 175.062 174.700 -0.020 0.000 0.949 347 T CA -0.569 61.533 62.100 0.004 0.000 1.101 347 T CB 1.296 70.202 68.868 0.062 0.000 0.905 347 T HN -0.013 nan 8.240 nan 0.000 0.516 348 L N 6.165 127.366 121.223 -0.037 0.000 3.515 348 L HA 0.012 4.356 4.340 0.006 0.000 0.248 348 L C 1.378 178.233 176.870 -0.025 0.000 1.499 348 L CA 0.898 55.712 54.840 -0.042 0.000 1.101 348 L CB -1.741 40.291 42.059 -0.046 0.000 1.434 348 L HN 1.063 nan 8.230 nan 0.000 0.451 349 T N -2.210 112.334 114.554 -0.016 0.000 7.894 349 T HA -0.304 4.049 4.350 0.006 0.000 0.344 349 T C 0.790 175.486 174.700 -0.006 0.000 1.622 349 T CA 1.081 63.177 62.100 -0.007 0.000 2.550 349 T CB -2.461 66.400 68.868 -0.011 0.000 2.738 349 T HN 0.562 nan 8.240 nan 0.000 1.238 350 S N 2.138 117.834 115.700 -0.006 0.000 2.515 350 S HA 0.138 4.612 4.470 0.006 0.000 0.285 350 S C 1.137 175.727 174.600 -0.016 0.000 1.265 350 S CA -0.302 57.889 58.200 -0.015 0.000 1.079 350 S CB 0.449 63.640 63.200 -0.015 0.000 0.877 350 S HN 0.380 nan 8.310 nan 0.000 0.493 351 D N 3.154 123.535 120.400 -0.032 0.000 2.407 351 D HA -0.064 4.579 4.640 0.006 0.000 0.234 351 D C 1.428 177.682 176.300 -0.076 0.000 1.029 351 D CA 0.566 54.543 54.000 -0.038 0.000 0.937 351 D CB -0.153 40.623 40.800 -0.039 0.000 0.882 351 D HN 0.511 nan 8.370 nan 0.000 0.531 352 T N -0.137 114.349 114.554 -0.114 0.000 2.720 352 T HA -0.159 4.195 4.350 0.006 0.000 0.268 352 T C 0.620 175.048 174.700 -0.452 0.000 1.037 352 T CA 1.242 63.172 62.100 -0.285 0.000 1.144 352 T CB -0.024 68.652 68.868 -0.319 0.000 0.864 352 T HN 0.244 nan 8.240 nan 0.000 0.444 353 Y N -0.031 120.262 120.300 -0.011 0.000 2.545 353 Y HA 0.420 4.973 4.550 0.006 0.000 0.348 353 Y C 0.337 176.225 175.900 -0.021 0.000 1.002 353 Y CA -1.567 56.525 58.100 -0.013 0.000 1.039 353 Y CB 1.477 39.937 38.460 0.001 0.000 1.271 353 Y HN -0.265 nan 8.280 nan 0.000 0.467 354 K N 1.812 122.298 120.400 0.144 0.000 2.344 354 K HA 0.139 4.463 4.320 0.006 0.000 0.260 354 K C -0.844 175.775 176.600 0.031 0.000 0.988 354 K CA 0.041 56.342 56.287 0.024 0.000 0.909 354 K CB 0.378 32.839 32.500 -0.066 0.000 0.968 354 K HN 0.519 nan 8.250 nan 0.000 0.505 355 K N 0.788 121.181 120.400 -0.011 0.000 2.371 355 K HA 0.243 4.567 4.320 0.006 0.000 0.251 355 K C -1.047 175.571 176.600 0.030 0.000 0.934 355 K CA -0.722 55.597 56.287 0.055 0.000 0.798 355 K CB 1.261 33.803 32.500 0.070 0.000 1.204 355 K HN 0.372 nan 8.250 nan 0.000 0.427 356 W N 1.969 123.308 121.300 0.066 0.000 2.183 356 W HA 0.241 4.904 4.660 0.005 0.000 0.348 356 W C 0.385 176.887 176.519 -0.028 0.000 1.257 356 W CA -0.326 57.061 57.345 0.069 0.000 1.324 356 W CB 0.652 30.232 29.460 0.201 0.000 1.144 356 W HN 0.050 nan 8.180 nan 0.000 0.622 357 K N 2.408 122.962 120.400 0.256 0.000 2.159 357 K HA 0.547 4.871 4.320 0.006 0.000 0.266 357 K C -1.232 175.340 176.600 -0.046 0.000 0.975 357 K CA -1.069 55.272 56.287 0.089 0.000 0.865 357 K CB 1.707 34.269 32.500 0.103 0.000 1.087 357 K HN 0.356 nan 8.250 nan 0.000 0.446 358 L N 0.862 122.004 121.223 -0.136 0.000 2.362 358 L HA 0.518 4.862 4.340 0.006 0.000 0.271 358 L C -0.835 175.974 176.870 -0.102 0.000 1.002 358 L CA 0.120 54.793 54.840 -0.277 0.000 0.818 358 L CB 2.301 44.119 42.059 -0.402 0.000 1.298 358 L HN 0.638 nan 8.230 nan 0.000 0.420 359 T N 3.121 117.624 114.554 -0.086 0.000 3.523 359 T HA 0.236 4.590 4.350 0.006 0.000 0.265 359 T C -0.760 173.971 174.700 0.052 0.000 0.986 359 T CA -0.795 61.322 62.100 0.028 0.000 1.616 359 T CB 0.064 68.984 68.868 0.088 0.000 0.803 359 T HN 0.705 nan 8.240 nan 0.000 0.603 360 K N 2.216 122.664 120.400 0.080 0.000 2.168 360 K HA 0.749 5.072 4.320 0.006 0.000 0.258 360 K C -0.116 176.585 176.600 0.170 0.000 1.010 360 K CA -0.799 55.558 56.287 0.116 0.000 0.929 360 K CB 1.035 33.628 32.500 0.156 0.000 0.998 360 K HN 0.150 nan 8.250 nan 0.000 0.479 361 M N 0.444 120.139 119.600 0.159 0.000 2.826 361 M HA 0.406 4.890 4.480 0.006 0.000 0.284 361 M C -1.317 175.011 176.300 0.047 0.000 1.191 361 M CA -0.646 54.745 55.300 0.152 0.000 0.745 361 M CB 2.086 34.814 32.600 0.213 0.000 1.750 361 M HN 0.739 nan 8.290 nan 0.000 0.434 362 D N -0.393 119.997 120.400 -0.018 0.000 2.886 362 D HA 0.638 5.282 4.640 0.006 0.000 0.216 362 D C -1.078 174.934 176.300 -0.480 0.000 1.256 362 D CA -0.020 53.836 54.000 -0.240 0.000 0.844 362 D CB 2.568 43.261 40.800 -0.178 0.000 1.669 362 D HN 0.784 nan 8.370 nan 0.000 0.513 363 G N 0.861 108.891 108.800 -1.284 0.000 2.708 363 G HA2 0.581 4.544 3.960 0.006 0.000 0.289 363 G HA3 0.581 4.544 3.960 0.006 0.000 0.289 363 G C -1.296 172.689 174.900 -1.526 0.000 1.416 363 G CA -0.652 43.495 45.100 -1.588 0.000 0.829 363 G HN 0.366 nan 8.290 nan 0.000 0.480 364 N N -0.612 117.638 118.700 -0.750 0.000 2.321 364 N HA 0.442 5.186 4.740 0.006 0.000 0.290 364 N C -1.640 173.799 175.510 -0.118 0.000 1.212 364 N CA -0.548 52.283 53.050 -0.365 0.000 0.767 364 N CB 2.540 40.925 38.487 -0.170 0.000 1.494 364 N HN 0.454 nan 8.380 nan 0.000 0.479 365 W N 1.118 122.566 121.300 0.247 0.000 2.619 365 W HA 0.431 5.096 4.660 0.009 0.000 0.327 365 W C -0.186 176.409 176.519 0.126 0.000 1.027 365 W CA -0.399 57.073 57.345 0.213 0.000 1.233 365 W CB 1.309 30.912 29.460 0.238 0.000 1.370 365 W HN 0.167 nan 8.180 nan 0.000 0.453 366 R N 2.166 122.839 120.500 0.288 0.000 2.561 366 R HA 0.412 4.756 4.340 0.006 0.000 0.297 366 R C 0.208 176.581 176.300 0.123 0.000 0.969 366 R CA -1.313 54.884 56.100 0.162 0.000 0.879 366 R CB 2.213 32.563 30.300 0.083 0.000 1.178 366 R HN 0.488 nan 8.270 nan 0.000 0.445 367 R N 0.341 120.893 120.500 0.086 0.000 2.502 367 R HA 0.137 4.481 4.340 0.006 0.000 0.292 367 R C 0.872 177.102 176.300 -0.116 0.000 0.998 367 R CA 1.266 57.391 56.100 0.042 0.000 1.056 367 R CB 0.165 30.487 30.300 0.037 0.000 0.939 367 R HN 0.960 nan 8.270 nan 0.000 0.411 368 G N 1.201 109.774 108.800 -0.378 0.000 2.143 368 G HA2 -0.329 3.635 3.960 0.006 0.000 0.249 368 G HA3 -0.329 3.635 3.960 0.006 0.000 0.249 368 G C 0.418 174.724 174.900 -0.990 0.000 0.981 368 G CA 0.480 44.999 45.100 -0.969 0.000 0.665 368 G HN 0.734 nan 8.290 nan 0.000 0.528 369 S N -2.793 112.582 115.700 -0.542 0.000 5.328 369 S HA 0.225 4.698 4.470 0.006 0.000 0.141 369 S C 1.634 176.286 174.600 0.086 0.000 1.049 369 S CA 1.416 59.515 58.200 -0.169 0.000 1.374 369 S CB -0.210 62.948 63.200 -0.069 0.000 2.027 369 S HN 1.265 nan 8.310 nan 0.000 0.659 370 T N 0.238 114.860 114.554 0.114 0.000 3.069 370 T HA 0.578 4.931 4.350 0.006 0.000 0.252 370 T C 0.805 175.671 174.700 0.277 0.000 1.053 370 T CA 0.402 62.590 62.100 0.147 0.000 0.964 370 T CB 0.127 69.084 68.868 0.148 0.000 1.005 370 T HN 0.742 nan 8.240 nan 0.000 0.532 371 A N 1.430 124.425 122.820 0.292 0.000 3.063 371 A HA 0.649 4.973 4.320 0.006 0.000 0.263 371 A C 1.815 179.414 177.584 0.026 0.000 1.736 371 A CA -0.067 52.095 52.037 0.208 0.000 1.408 371 A CB -1.077 18.042 19.000 0.199 0.000 1.108 371 A HN 0.483 nan 8.150 nan 0.000 0.621 372 G N 0.698 109.469 108.800 -0.049 0.000 2.422 372 G HA2 0.338 4.301 3.960 0.006 0.000 0.218 372 G HA3 0.338 4.301 3.960 0.006 0.000 0.218 372 G C 1.113 175.898 174.900 -0.192 0.000 1.146 372 G CA 0.750 45.730 45.100 -0.200 0.000 0.769 372 G HN 1.950 nan 8.290 nan 0.000 0.547 373 G N -2.098 106.594 108.800 -0.180 0.000 2.610 373 G HA2 -0.038 3.926 3.960 0.006 0.000 0.304 373 G HA3 -0.038 3.926 3.960 0.006 0.000 0.304 373 G C 0.326 175.244 174.900 0.030 0.000 1.309 373 G CA -0.249 44.723 45.100 -0.214 0.000 0.906 373 G HN 1.030 nan 8.290 nan 0.000 0.521 374 C N -0.354 118.902 119.300 -0.073 0.000 2.769 374 C HA 0.609 5.072 4.460 0.006 0.000 0.296 374 C C 2.583 177.359 174.990 -0.357 0.000 1.538 374 C CA 0.938 59.751 59.018 -0.342 0.000 2.178 374 C CB 0.242 27.332 27.740 -1.084 0.000 2.077 374 C HN 1.272 nan 8.230 nan 0.000 0.648 375 R N 1.283 121.354 120.500 -0.716 0.000 2.299 375 R HA 0.140 4.484 4.340 0.006 0.000 0.197 375 R C 1.195 177.140 176.300 -0.592 0.000 0.971 375 R CA 1.541 57.032 56.100 -1.016 0.000 1.030 375 R CB -0.771 29.104 30.300 -0.709 0.000 0.932 375 R HN 0.668 nan 8.270 nan 0.000 0.477 376 N N -0.277 118.044 118.700 -0.632 0.000 2.396 376 N HA -0.059 4.684 4.740 0.006 0.000 0.180 376 N C -0.741 174.312 175.510 -0.763 0.000 1.028 376 N CA 0.788 53.389 53.050 -0.749 0.000 0.893 376 N CB 0.168 37.947 38.487 -1.180 0.000 0.967 376 N HN 0.332 nan 8.380 nan 0.000 0.440 377 Y N -0.577 119.545 120.300 -0.296 0.000 2.863 377 Y HA 0.343 4.897 4.550 0.006 0.000 0.348 377 Y C -1.746 174.130 175.900 -0.040 0.000 1.028 377 Y CA -2.313 55.692 58.100 -0.159 0.000 1.213 377 Y CB 1.263 39.618 38.460 -0.175 0.000 1.120 377 Y HN 0.032 nan 8.280 nan 0.000 0.598 378 P HA -0.117 nan 4.420 nan 0.000 0.228 378 P C 0.371 177.843 177.300 0.287 0.000 1.151 378 P CA 1.176 64.397 63.100 0.202 0.000 0.770 378 P CB 0.587 32.351 31.700 0.106 0.000 0.786 379 N N 0.093 118.914 118.700 0.202 0.000 2.106 379 N HA -0.094 4.650 4.740 0.006 0.000 0.188 379 N C 1.732 177.390 175.510 0.247 0.000 1.029 379 N CA 2.275 55.450 53.050 0.208 0.000 0.848 379 N CB -0.877 37.673 38.487 0.105 0.000 1.007 379 N HN 0.285 nan 8.380 nan 0.000 0.423 380 T N -2.977 111.590 114.554 0.022 0.000 3.014 380 T HA 0.104 4.458 4.350 0.006 0.000 0.250 380 T C 1.634 176.183 174.700 -0.252 0.000 1.060 380 T CA -0.329 61.582 62.100 -0.315 0.000 1.040 380 T CB -0.481 67.986 68.868 -0.668 0.000 0.971 380 T HN 0.092 nan 8.240 nan 0.000 0.497 381 F N 3.622 123.506 119.950 -0.110 0.000 2.063 381 F HA -0.165 4.367 4.527 0.008 0.000 0.298 381 F C 2.061 177.762 175.800 -0.165 0.000 1.109 381 F CA 1.800 59.729 58.000 -0.120 0.000 1.212 381 F CB -0.669 38.293 39.000 -0.063 0.000 0.973 381 F HN 0.461 nan 8.300 nan 0.000 0.480 382 W N 0.411 121.522 121.300 -0.315 0.000 2.662 382 W HA -0.126 4.537 4.660 0.005 0.000 0.249 382 W C 0.921 177.432 176.519 -0.014 0.000 1.251 382 W CA 0.730 57.921 57.345 -0.257 0.000 1.277 382 W CB -1.701 27.885 29.460 0.210 0.000 1.140 382 W HN 0.231 nan 8.180 nan 0.000 0.645 383 M N 0.653 119.812 119.600 -0.735 0.000 2.371 383 M HA 0.084 4.567 4.480 0.006 0.000 0.246 383 M C 0.345 176.509 176.300 -0.226 0.000 1.103 383 M CA 0.230 55.163 55.300 -0.612 0.000 1.010 383 M CB -0.428 31.735 32.600 -0.729 0.000 1.457 383 M HN -0.208 nan 8.290 nan 0.000 0.486 384 N N 1.907 120.505 118.700 -0.170 0.000 2.444 384 N HA 0.248 4.992 4.740 0.006 0.000 0.255 384 N C -2.429 173.146 175.510 0.109 0.000 1.255 384 N CA -0.867 52.226 53.050 0.071 0.000 0.933 384 N CB 0.200 38.731 38.487 0.075 0.000 1.143 384 N HN -0.116 nan 8.380 nan 0.000 0.453 385 P HA 0.056 nan 4.420 nan 0.000 0.271 385 P C -0.721 176.599 177.300 0.033 0.000 1.238 385 P CA 0.310 63.474 63.100 0.106 0.000 0.794 385 P CB 0.581 32.440 31.700 0.265 0.000 0.959 386 Q N -0.029 119.600 119.800 -0.284 0.000 2.389 386 Q HA 0.568 4.911 4.340 0.006 0.000 0.277 386 Q C -1.220 174.358 176.000 -0.703 0.000 1.082 386 Q CA -0.527 55.145 55.803 -0.219 0.000 0.810 386 Q CB 1.903 30.651 28.738 0.018 0.000 1.374 386 Q HN 0.387 nan 8.270 nan 0.000 0.422 387 Y N -0.064 120.289 120.300 0.088 0.000 2.698 387 Y HA 0.726 5.279 4.550 0.005 0.000 0.332 387 Y C -1.063 174.807 175.900 -0.049 0.000 1.119 387 Y CA -1.195 56.858 58.100 -0.078 0.000 1.109 387 Y CB 1.337 39.703 38.460 -0.157 0.000 1.308 387 Y HN 0.516 nan 8.280 nan 0.000 0.499 388 L N 1.976 123.176 121.223 -0.038 0.000 2.406 388 L HA 0.663 5.006 4.340 0.006 0.000 0.272 388 L C -1.751 175.242 176.870 0.204 0.000 0.980 388 L CA -0.230 54.651 54.840 0.068 0.000 0.831 388 L CB 0.921 42.977 42.059 -0.006 0.000 1.253 388 L HN 0.517 nan 8.230 nan 0.000 0.406 389 I N 4.972 125.739 120.570 0.329 0.000 2.377 389 I HA 0.473 4.647 4.170 0.006 0.000 0.293 389 I C -0.311 175.930 176.117 0.207 0.000 0.987 389 I CA -0.763 60.733 61.300 0.328 0.000 1.185 389 I CB 1.555 39.637 38.000 0.138 0.000 1.341 389 I HN 0.508 nan 8.210 nan 0.000 0.455 390 K N 7.765 128.254 120.400 0.147 0.000 2.376 390 K HA 0.620 4.944 4.320 0.006 0.000 0.257 390 K C -1.599 175.052 176.600 0.085 0.000 0.939 390 K CA -0.578 55.772 56.287 0.106 0.000 0.809 390 K CB 1.663 34.210 32.500 0.079 0.000 1.121 390 K HN 0.557 nan 8.250 nan 0.000 0.425 391 L N 3.240 124.528 121.223 0.109 0.000 2.365 391 L HA 0.402 4.745 4.340 0.006 0.000 0.273 391 L C 0.578 177.509 176.870 0.101 0.000 1.000 391 L CA -0.369 54.533 54.840 0.102 0.000 0.819 391 L CB 2.092 44.237 42.059 0.142 0.000 1.284 391 L HN 0.731 nan 8.230 nan 0.000 0.418 392 E N 1.222 121.472 120.200 0.084 0.000 3.701 392 E HA 0.064 4.418 4.350 0.006 0.000 0.206 392 E C -0.055 176.587 176.600 0.070 0.000 1.229 392 E CA -0.130 56.312 56.400 0.070 0.000 1.573 392 E CB 0.370 30.103 29.700 0.054 0.000 1.449 392 E HN 0.522 nan 8.360 nan 0.000 0.618 393 E N 1.844 122.083 120.200 0.065 0.000 2.129 393 E HA 0.082 4.436 4.350 0.006 0.000 0.283 393 E C -0.553 176.089 176.600 0.070 0.000 1.080 393 E CA -0.270 56.166 56.400 0.059 0.000 0.867 393 E CB 0.423 30.151 29.700 0.047 0.000 1.056 393 E HN 0.265 nan 8.360 nan 0.000 0.404 394 E N 3.255 123.497 120.200 0.070 0.000 2.312 394 E HA 0.178 4.531 4.350 0.006 0.000 0.259 394 E C -0.386 176.249 176.600 0.058 0.000 1.122 394 E CA -0.941 55.507 56.400 0.080 0.000 0.922 394 E CB 0.657 30.410 29.700 0.088 0.000 1.109 394 E HN 0.314 nan 8.360 nan 0.000 0.442 395 D N 0.173 120.609 120.400 0.061 0.000 2.278 395 D HA -0.115 4.528 4.640 0.006 0.000 0.234 395 D C 0.655 176.967 176.300 0.019 0.000 1.344 395 D CA 0.491 54.510 54.000 0.032 0.000 0.892 395 D CB 0.416 41.236 40.800 0.033 0.000 1.204 395 D HN 0.710 nan 8.370 nan 0.000 0.489 396 E N -0.630 119.570 120.200 0.000 0.000 2.332 396 E HA -0.033 4.320 4.350 0.006 0.000 0.202 396 E C -0.393 176.207 176.600 0.000 0.000 0.877 396 E CA -0.271 56.129 56.400 -0.001 0.000 0.979 396 E CB 0.368 30.059 29.700 -0.014 0.000 0.969 396 E HN 0.358 nan 8.360 nan 0.000 0.495 397 D N 2.264 122.661 120.400 -0.004 0.000 2.443 397 D HA -0.125 4.519 4.640 0.006 0.000 0.234 397 D C 1.175 177.481 176.300 0.010 0.000 1.172 397 D CA 0.722 54.722 54.000 0.000 0.000 0.878 397 D CB 0.621 41.420 40.800 -0.003 0.000 1.204 397 D HN 0.336 nan 8.370 nan 0.000 0.453 398 E N 1.418 121.624 120.200 0.011 0.000 2.103 398 E HA -0.308 4.046 4.350 0.006 0.000 0.229 398 E C -0.175 176.436 176.600 0.019 0.000 1.061 398 E CA 1.319 57.728 56.400 0.015 0.000 0.916 398 E CB -0.337 29.372 29.700 0.015 0.000 0.806 398 E HN 0.590 nan 8.360 nan 0.000 0.489 399 E N 0.207 120.420 120.200 0.022 0.000 2.397 399 E HA 0.520 4.874 4.350 0.006 0.000 0.293 399 E C -1.688 174.929 176.600 0.028 0.000 0.930 399 E CA -0.638 55.777 56.400 0.025 0.000 0.793 399 E CB 1.520 31.235 29.700 0.024 0.000 1.259 399 E HN 0.151 nan 8.360 nan 0.000 0.406 400 D N 2.443 122.861 120.400 0.031 0.000 2.300 400 D HA 0.364 5.007 4.640 0.006 0.000 0.218 400 D C -0.173 176.149 176.300 0.037 0.000 1.326 400 D CA 0.072 54.092 54.000 0.034 0.000 0.942 400 D CB 1.514 42.334 40.800 0.034 0.000 1.495 400 D HN 0.961 nan 8.370 nan 0.000 0.545 401 G N 3.264 112.086 108.800 0.036 0.000 2.359 401 G HA2 -0.303 3.661 3.960 0.006 0.000 0.298 401 G HA3 -0.303 3.661 3.960 0.006 0.000 0.298 401 G C 0.590 175.518 174.900 0.046 0.000 1.030 401 G CA 1.383 46.506 45.100 0.039 0.000 1.149 401 G HN 0.665 nan 8.290 nan 0.000 0.512 402 E N -0.822 119.405 120.200 0.045 0.000 3.771 402 E HA -0.316 4.037 4.350 0.006 0.000 0.271 402 E C 1.334 177.972 176.600 0.064 0.000 1.545 402 E CA 1.606 58.037 56.400 0.052 0.000 2.358 402 E CB -1.164 28.567 29.700 0.052 0.000 2.055 402 E HN 1.778 nan 8.360 nan 0.000 0.431 403 S N -1.516 114.229 115.700 0.075 0.000 4.054 403 S HA -0.329 4.145 4.470 0.006 0.000 0.618 403 S C 0.806 175.464 174.600 0.097 0.000 2.026 403 S CA 3.035 61.293 58.200 0.096 0.000 4.205 403 S CB -1.433 61.832 63.200 0.107 0.000 0.233 403 S HN 1.461 nan 8.310 nan 0.000 0.612 404 G N -1.007 107.859 108.800 0.111 0.000 3.815 404 G HA2 0.044 4.008 3.960 0.006 0.000 0.112 404 G HA3 0.044 4.008 3.960 0.006 0.000 0.112 404 G C -0.010 174.968 174.900 0.131 0.000 2.124 404 G CA 0.267 45.431 45.100 0.106 0.000 0.991 404 G HN 1.569 nan 8.290 nan 0.000 0.287 405 C N 3.657 123.058 119.300 0.169 0.000 2.648 405 C HA 0.565 5.028 4.460 0.006 0.000 0.406 405 C C 0.768 175.952 174.990 0.323 0.000 1.406 405 C CA 0.158 59.308 59.018 0.220 0.000 1.610 405 C CB -0.921 26.951 27.740 0.221 0.000 2.451 405 C HN 0.441 nan 8.230 nan 0.000 0.608 406 T N 4.832 119.560 114.554 0.289 0.000 2.799 406 T HA 0.624 4.977 4.350 0.006 0.000 0.286 406 T C -0.431 174.563 174.700 0.490 0.000 0.973 406 T CA -0.028 62.258 62.100 0.310 0.000 1.035 406 T CB 0.273 69.261 68.868 0.199 0.000 0.932 406 T HN 0.594 nan 8.240 nan 0.000 0.469 407 F N 2.064 122.167 119.950 0.255 0.000 2.557 407 F HA 0.686 5.217 4.527 0.007 0.000 0.316 407 F C -1.216 174.735 175.800 0.252 0.000 1.141 407 F CA -1.627 56.537 58.000 0.273 0.000 0.922 407 F CB 0.854 39.976 39.000 0.204 0.000 1.194 407 F HN 0.251 nan 8.300 nan 0.000 0.443 408 L N 5.478 126.860 121.223 0.265 0.000 2.282 408 L HA 0.546 4.890 4.340 0.006 0.000 0.287 408 L C -0.911 176.007 176.870 0.079 0.000 1.075 408 L CA -0.545 54.308 54.840 0.022 0.000 0.839 408 L CB 0.823 42.779 42.059 -0.170 0.000 1.219 408 L HN 0.623 nan 8.230 nan 0.000 0.434 409 V N 4.519 124.488 119.914 0.092 0.000 2.407 409 V HA 0.710 4.834 4.120 0.006 0.000 0.278 409 V C 0.737 176.813 176.094 -0.029 0.000 1.037 409 V CA -0.310 62.023 62.300 0.055 0.000 0.900 409 V CB 1.137 33.010 31.823 0.083 0.000 0.983 409 V HN 0.858 nan 8.190 nan 0.000 0.459 410 G N 4.518 113.283 108.800 -0.058 0.000 2.557 410 G HA2 0.607 4.570 3.960 0.006 0.000 0.310 410 G HA3 0.607 4.570 3.960 0.006 0.000 0.310 410 G C -1.447 173.453 174.900 -0.001 0.000 1.328 410 G CA -0.491 44.611 45.100 0.003 0.000 0.945 410 G HN 0.611 nan 8.290 nan 0.000 0.494 411 L N 3.708 124.970 121.223 0.066 0.000 2.305 411 L HA 0.812 5.156 4.340 0.006 0.000 0.284 411 L C -0.789 176.211 176.870 0.218 0.000 1.013 411 L CA -1.078 53.826 54.840 0.106 0.000 0.819 411 L CB 1.297 43.440 42.059 0.139 0.000 1.227 411 L HN 0.491 nan 8.230 nan 0.000 0.417 412 I N 4.627 125.351 120.570 0.258 0.000 2.569 412 I HA 0.435 4.609 4.170 0.006 0.000 0.296 412 I C -0.937 175.347 176.117 0.280 0.000 1.028 412 I CA -0.534 60.942 61.300 0.294 0.000 1.082 412 I CB 1.801 40.021 38.000 0.366 0.000 1.264 412 I HN 0.860 nan 8.210 nan 0.000 0.429 413 Q N 6.552 126.489 119.800 0.228 0.000 2.271 413 Q HA 0.471 4.815 4.340 0.006 0.000 0.258 413 Q C -1.254 174.619 176.000 -0.211 0.000 0.936 413 Q CA -0.956 54.929 55.803 0.136 0.000 0.909 413 Q CB 2.018 30.898 28.738 0.237 0.000 1.253 413 Q HN 0.481 nan 8.270 nan 0.000 0.440 414 K N 1.425 121.604 120.400 -0.367 0.000 2.120 414 K HA 0.122 4.445 4.320 0.006 0.000 0.245 414 K C -0.025 176.320 176.600 -0.425 0.000 1.024 414 K CA -0.582 55.237 56.287 -0.780 0.000 0.906 414 K CB 0.557 32.771 32.500 -0.477 0.000 1.051 414 K HN 0.567 nan 8.250 nan 0.000 0.491 415 H N 1.315 120.107 119.070 -0.463 0.000 2.547 415 H HA 0.244 4.803 4.556 0.006 0.000 0.362 415 H C -0.805 174.447 175.328 -0.126 0.000 1.181 415 H CA -0.295 55.636 56.048 -0.195 0.000 1.376 415 H CB 1.033 30.753 29.762 -0.071 0.000 1.488 415 H HN 0.434 nan 8.280 nan 0.000 0.583 416 R N 3.270 123.271 120.500 -0.833 0.000 2.985 416 R HA 0.117 4.460 4.340 0.006 0.000 0.259 416 R C -0.386 175.583 176.300 -0.552 0.000 1.815 416 R CA -0.528 55.193 56.100 -0.630 0.000 1.278 416 R CB 0.138 30.275 30.300 -0.272 0.000 1.403 416 R HN 0.849 nan 8.270 nan 0.000 0.534 417 R N 1.990 122.111 120.500 -0.632 0.000 2.569 417 R HA -0.294 4.049 4.340 0.006 0.000 0.212 417 R C 0.808 177.096 176.300 -0.019 0.000 0.741 417 R CA 1.298 57.311 56.100 -0.144 0.000 0.499 417 R CB -0.701 29.553 30.300 -0.077 0.000 1.224 417 R HN 0.633 nan 8.270 nan 0.000 0.522 418 R N -0.220 120.319 120.500 0.065 0.000 2.709 418 R HA -0.005 4.338 4.340 0.006 0.000 0.200 418 R C -0.510 175.856 176.300 0.109 0.000 0.974 418 R CA -0.084 56.055 56.100 0.064 0.000 1.416 418 R CB 0.673 30.986 30.300 0.022 0.000 1.709 418 R HN 0.332 nan 8.270 nan 0.000 0.546 419 Q N 1.504 121.420 119.800 0.195 0.000 2.423 419 Q HA 0.166 4.510 4.340 0.006 0.000 0.235 419 Q C 0.204 176.249 176.000 0.076 0.000 1.100 419 Q CA -0.279 55.608 55.803 0.140 0.000 0.908 419 Q CB 1.492 30.332 28.738 0.170 0.000 1.312 419 Q HN -0.080 nan 8.270 nan 0.000 0.497 420 R N 1.416 121.955 120.500 0.065 0.000 2.152 420 R HA -0.014 4.329 4.340 0.006 0.000 0.232 420 R C 0.093 176.431 176.300 0.064 0.000 1.117 420 R CA 1.356 57.465 56.100 0.014 0.000 0.981 420 R CB 0.224 30.558 30.300 0.056 0.000 0.870 420 R HN 0.382 nan 8.270 nan 0.000 0.451 421 K N -1.217 119.237 120.400 0.091 0.000 2.263 421 K HA 0.428 4.751 4.320 0.006 0.000 0.249 421 K C -0.699 175.906 176.600 0.008 0.000 1.076 421 K CA -0.927 55.408 56.287 0.080 0.000 0.884 421 K CB 1.584 34.161 32.500 0.128 0.000 1.394 421 K HN -0.086 nan 8.250 nan 0.000 0.476 422 M N -0.390 119.201 119.600 -0.014 0.000 2.264 422 M HA 0.506 4.990 4.480 0.006 0.000 0.352 422 M C 0.519 176.784 176.300 -0.059 0.000 1.173 422 M CA 0.070 55.346 55.300 -0.041 0.000 1.075 422 M CB 1.110 33.672 32.600 -0.064 0.000 1.621 422 M HN 0.849 nan 8.290 nan 0.000 0.457 423 G N 1.506 110.280 108.800 -0.045 0.000 2.254 423 G HA2 -0.178 3.786 3.960 0.006 0.000 0.225 423 G HA3 -0.178 3.786 3.960 0.006 0.000 0.225 423 G C -0.177 174.712 174.900 -0.018 0.000 1.003 423 G CA -0.029 45.034 45.100 -0.061 0.000 0.622 423 G HN 0.770 nan 8.290 nan 0.000 0.507 424 E N 0.704 120.908 120.200 0.008 0.000 2.250 424 E HA 0.480 4.834 4.350 0.006 0.000 0.265 424 E C 0.030 176.659 176.600 0.048 0.000 1.033 424 E CA -0.489 55.930 56.400 0.031 0.000 0.888 424 E CB 0.572 30.301 29.700 0.048 0.000 1.151 424 E HN 0.113 nan 8.360 nan 0.000 0.412 425 D N 0.649 121.083 120.400 0.057 0.000 2.792 425 D HA -0.179 4.465 4.640 0.006 0.000 0.231 425 D C -0.384 175.950 176.300 0.058 0.000 1.160 425 D CA 0.994 55.034 54.000 0.067 0.000 0.697 425 D CB -0.438 40.400 40.800 0.064 0.000 1.070 425 D HN 0.306 nan 8.370 nan 0.000 0.426 426 M N 0.318 119.961 119.600 0.071 0.000 2.233 426 M HA 0.088 4.572 4.480 0.006 0.000 0.350 426 M C 0.846 177.261 176.300 0.191 0.000 1.176 426 M CA 0.177 55.528 55.300 0.085 0.000 1.150 426 M CB 0.572 33.218 32.600 0.077 0.000 1.530 426 M HN -0.040 nan 8.290 nan 0.000 0.459 427 H N 0.996 120.123 119.070 0.095 0.000 2.551 427 H HA 0.269 4.829 4.556 0.006 0.000 0.358 427 H C -0.155 175.227 175.328 0.091 0.000 1.151 427 H CA -0.108 55.993 56.048 0.090 0.000 1.374 427 H CB 0.660 30.486 29.762 0.107 0.000 1.473 427 H HN 0.460 nan 8.280 nan 0.000 0.574 428 T N 4.618 119.289 114.554 0.195 0.000 2.727 428 T HA 0.367 4.721 4.350 0.006 0.000 0.295 428 T C 0.653 175.488 174.700 0.225 0.000 0.915 428 T CA -0.399 61.814 62.100 0.188 0.000 1.066 428 T CB -0.699 68.270 68.868 0.168 0.000 0.891 428 T HN 0.424 nan 8.240 nan 0.000 0.516 429 I N 0.596 121.244 120.570 0.129 0.000 2.646 429 I HA 1.004 5.178 4.170 0.006 0.000 0.299 429 I C 0.187 176.018 176.117 -0.477 0.000 1.036 429 I CA -0.946 60.332 61.300 -0.036 0.000 1.074 429 I CB 2.270 40.331 38.000 0.102 0.000 1.258 429 I HN 0.657 nan 8.210 nan 0.000 0.430 430 G N 3.616 111.773 108.800 -1.072 0.000 2.682 430 G HA2 0.785 4.749 3.960 0.006 0.000 0.303 430 G HA3 0.785 4.749 3.960 0.006 0.000 0.303 430 G C -1.662 172.854 174.900 -0.639 0.000 1.341 430 G CA -0.753 43.350 45.100 -1.662 0.000 0.784 430 G HN 0.953 nan 8.290 nan 0.000 0.497 431 F N -2.161 117.600 119.950 -0.315 0.000 2.703 431 F HA 0.790 5.321 4.527 0.007 0.000 0.308 431 F C -0.204 175.771 175.800 0.291 0.000 1.126 431 F CA -1.085 56.986 58.000 0.118 0.000 0.959 431 F CB 1.391 40.466 39.000 0.126 0.000 1.297 431 F HN 0.886 nan 8.300 nan 0.000 0.441 432 G N 1.853 111.050 108.800 0.661 0.000 2.513 432 G HA2 0.644 4.607 3.960 0.006 0.000 0.317 432 G HA3 0.644 4.607 3.960 0.006 0.000 0.317 432 G C -1.994 173.318 174.900 0.687 0.000 1.277 432 G CA -1.011 44.450 45.100 0.601 0.000 0.955 432 G HN 1.028 nan 8.290 nan 0.000 0.484 433 I N 1.480 122.307 120.570 0.427 0.000 2.404 433 I HA 0.670 4.844 4.170 0.006 0.000 0.293 433 I C -1.304 175.005 176.117 0.320 0.000 0.992 433 I CA -1.005 60.547 61.300 0.420 0.000 1.149 433 I CB 1.132 39.201 38.000 0.115 0.000 1.315 433 I HN 0.424 nan 8.210 nan 0.000 0.446 434 Y N 4.821 125.376 120.300 0.426 0.000 2.545 434 Y HA 0.427 4.981 4.550 0.007 0.000 0.348 434 Y C -0.251 175.912 175.900 0.437 0.000 1.002 434 Y CA -0.996 57.353 58.100 0.415 0.000 1.039 434 Y CB 1.418 40.190 38.460 0.520 0.000 1.271 434 Y HN 0.459 nan 8.280 nan 0.000 0.467 435 E N 1.120 121.598 120.200 0.463 0.000 2.216 435 E HA 0.474 4.828 4.350 0.006 0.000 0.279 435 E C -1.206 175.466 176.600 0.119 0.000 0.997 435 E CA -0.691 55.791 56.400 0.137 0.000 0.817 435 E CB 1.199 30.894 29.700 -0.009 0.000 1.096 435 E HN 0.495 nan 8.360 nan 0.000 0.393 436 V N 7.536 127.425 119.914 -0.041 0.000 2.458 436 V HA 0.014 4.137 4.120 0.006 0.000 0.287 436 V C -1.179 174.924 176.094 0.015 0.000 1.009 436 V CA -0.610 61.698 62.300 0.013 0.000 1.091 436 V CB 0.677 32.458 31.823 -0.069 0.000 0.960 436 V HN 0.773 nan 8.190 nan 0.000 0.476 437 P HA -0.052 nan 4.420 nan 0.000 0.233 437 P C 0.540 177.856 177.300 0.027 0.000 1.167 437 P CA 1.224 64.362 63.100 0.065 0.000 0.770 437 P CB 0.508 32.271 31.700 0.104 0.000 0.837 438 E N -2.681 117.527 120.200 0.014 0.000 1.749 438 E HA -0.059 4.295 4.350 0.006 0.000 0.252 438 E C -0.453 176.134 176.600 -0.020 0.000 1.061 438 E CA -0.365 56.031 56.400 -0.006 0.000 1.692 438 E CB -1.451 28.250 29.700 0.001 0.000 3.860 438 E HN -0.216 nan 8.360 nan 0.000 0.932 439 E N 1.508 121.695 120.200 -0.022 0.000 1.701 439 E HA -0.154 4.200 4.350 0.006 0.000 0.353 439 E C 0.227 176.797 176.600 -0.049 0.000 0.620 439 E CA 0.786 57.158 56.400 -0.047 0.000 1.322 439 E CB -0.043 29.602 29.700 -0.092 0.000 0.440 439 E HN 0.450 nan 8.360 nan 0.000 0.397 440 L N 2.033 123.234 121.223 -0.037 0.000 2.638 440 L HA 0.063 4.407 4.340 0.006 0.000 0.232 440 L C 1.657 178.507 176.870 -0.033 0.000 1.099 440 L CA 0.196 55.018 54.840 -0.031 0.000 0.883 440 L CB 0.248 42.294 42.059 -0.021 0.000 1.136 440 L HN 0.324 nan 8.230 nan 0.000 0.492 441 S N 0.087 115.763 115.700 -0.040 0.000 2.387 441 S HA 0.020 4.493 4.470 0.006 0.000 0.221 441 S C 1.825 176.394 174.600 -0.051 0.000 1.041 441 S CA 0.948 59.125 58.200 -0.038 0.000 0.959 441 S CB -0.108 63.071 63.200 -0.036 0.000 0.843 441 S HN 0.465 nan 8.310 nan 0.000 0.488 442 G N 0.930 109.683 108.800 -0.079 0.000 3.088 442 G HA2 -0.002 3.962 3.960 0.006 0.000 0.212 442 G HA3 -0.002 3.962 3.960 0.006 0.000 0.212 442 G C 0.909 175.748 174.900 -0.101 0.000 1.173 442 G CA -0.201 44.834 45.100 -0.109 0.000 0.779 442 G HN 0.453 nan 8.290 nan 0.000 0.540 443 Q N -0.348 119.409 119.800 -0.072 0.000 2.325 443 Q HA -0.133 4.211 4.340 0.006 0.000 0.211 443 Q C 1.209 177.176 176.000 -0.054 0.000 0.988 443 Q CA 1.762 57.531 55.803 -0.057 0.000 0.887 443 Q CB 0.138 28.853 28.738 -0.038 0.000 0.915 443 Q HN 0.396 nan 8.270 nan 0.000 0.440 444 T N -2.247 112.274 114.554 -0.054 0.000 3.508 444 T HA -0.045 4.309 4.350 0.006 0.000 0.278 444 T C -0.009 174.667 174.700 -0.040 0.000 0.881 444 T CA 0.322 62.390 62.100 -0.052 0.000 0.774 444 T CB -0.359 68.485 68.868 -0.040 0.000 1.230 444 T HN 0.532 nan 8.240 nan 0.000 0.837 445 N N 1.141 119.823 118.700 -0.030 0.000 2.273 445 N HA 0.492 5.235 4.740 0.006 0.000 0.231 445 N C -0.256 175.254 175.510 -0.000 0.000 1.134 445 N CA -0.298 52.745 53.050 -0.012 0.000 0.856 445 N CB 0.433 38.915 38.487 -0.008 0.000 1.068 445 N HN 0.375 nan 8.380 nan 0.000 0.510 446 I N -0.295 120.270 120.570 -0.008 0.000 2.802 446 I HA 0.184 4.357 4.170 0.006 0.000 0.298 446 I C -1.158 174.976 176.117 0.029 0.000 1.176 446 I CA -1.059 60.246 61.300 0.007 0.000 1.025 446 I CB 2.483 40.456 38.000 -0.044 0.000 1.243 446 I HN 0.256 nan 8.210 nan 0.000 0.424 447 H N 6.819 125.892 119.070 0.004 0.000 2.595 447 H HA 0.425 4.985 4.556 0.006 0.000 0.313 447 H C -1.155 174.208 175.328 0.059 0.000 1.023 447 H CA -0.751 55.315 56.048 0.031 0.000 1.218 447 H CB 1.019 30.832 29.762 0.085 0.000 1.403 447 H HN 0.459 nan 8.280 nan 0.000 0.477 448 L N 5.029 125.956 121.223 -0.494 0.000 2.559 448 L HA -0.026 4.317 4.340 0.006 0.000 0.274 448 L C 1.272 177.978 176.870 -0.273 0.000 1.205 448 L CA 0.019 54.583 54.840 -0.460 0.000 0.907 448 L CB 0.150 41.785 42.059 -0.707 0.000 1.153 448 L HN 0.607 nan 8.230 nan 0.000 0.490 449 S N 2.779 118.378 115.700 -0.168 0.000 2.646 449 S HA 0.212 4.685 4.470 0.006 0.000 0.273 449 S C 1.013 175.491 174.600 -0.203 0.000 1.168 449 S CA -0.603 57.456 58.200 -0.235 0.000 1.013 449 S CB 1.336 64.248 63.200 -0.480 0.000 1.098 449 S HN 0.702 nan 8.310 nan 0.000 0.544 450 K N 0.864 120.731 120.400 -0.887 0.000 2.015 450 K HA -0.278 4.046 4.320 0.006 0.000 0.216 450 K C 2.140 178.699 176.600 -0.069 0.000 1.052 450 K CA 1.869 57.908 56.287 -0.414 0.000 0.937 450 K CB -0.656 31.455 32.500 -0.647 0.000 0.719 450 K HN 0.689 nan 8.250 nan 0.000 0.446 451 N N -0.058 118.534 118.700 -0.180 0.000 2.144 451 N HA -0.252 4.492 4.740 0.006 0.000 0.195 451 N C 1.793 177.252 175.510 -0.085 0.000 1.006 451 N CA 1.867 54.853 53.050 -0.107 0.000 0.880 451 N CB -0.201 38.213 38.487 -0.121 0.000 1.018 451 N HN 0.288 nan 8.380 nan 0.000 0.443 452 F N 0.484 120.280 119.950 -0.257 0.000 2.098 452 F HA -0.044 4.488 4.527 0.008 0.000 0.294 452 F C 1.751 177.345 175.800 -0.343 0.000 1.107 452 F CA 1.291 59.068 58.000 -0.371 0.000 1.234 452 F CB -0.670 37.961 39.000 -0.615 0.000 1.002 452 F HN -0.066 nan 8.300 nan 0.000 0.472 453 F N 0.308 120.275 119.950 0.030 0.000 2.604 453 F HA -0.037 4.493 4.527 0.005 0.000 0.298 453 F C 1.929 177.740 175.800 0.018 0.000 1.131 453 F CA 0.541 58.535 58.000 -0.010 0.000 1.457 453 F CB -0.638 38.535 39.000 0.288 0.000 1.095 453 F HN 0.005 nan 8.300 nan 0.000 0.574 454 L N -1.027 120.251 121.223 0.092 0.000 2.179 454 L HA -0.066 4.277 4.340 0.006 0.000 0.208 454 L C 1.829 178.681 176.870 -0.031 0.000 1.096 454 L CA 1.127 55.994 54.840 0.045 0.000 0.779 454 L CB -0.560 41.510 42.059 0.018 0.000 0.922 454 L HN 0.001 nan 8.230 nan 0.000 0.443 455 T N -0.851 113.630 114.554 -0.121 0.000 3.069 455 T HA 0.147 4.501 4.350 0.006 0.000 0.252 455 T C 0.395 174.983 174.700 -0.188 0.000 1.053 455 T CA -0.007 62.011 62.100 -0.136 0.000 0.964 455 T CB -0.052 68.732 68.868 -0.140 0.000 1.005 455 T HN 0.159 nan 8.240 nan 0.000 0.532 456 N N 2.818 121.378 118.700 -0.232 0.000 2.399 456 N HA 0.275 5.019 4.740 0.006 0.000 0.280 456 N C -0.214 175.375 175.510 0.133 0.000 1.008 456 N CA -0.478 52.460 53.050 -0.187 0.000 0.894 456 N CB 2.225 40.305 38.487 -0.678 0.000 1.273 456 N HN 0.441 nan 8.380 nan 0.000 0.486 457 R N 1.008 121.543 120.500 0.058 0.000 2.738 457 R HA 0.676 5.019 4.340 0.006 0.000 0.275 457 R C 0.190 176.397 176.300 -0.156 0.000 1.121 457 R CA -0.495 55.605 56.100 0.001 0.000 1.207 457 R CB 0.424 30.706 30.300 -0.031 0.000 1.141 457 R HN 0.378 nan 8.270 nan 0.000 0.571 458 A N 0.191 122.761 122.820 -0.416 0.000 2.717 458 A HA 0.431 4.755 4.320 0.006 0.000 0.262 458 A C 0.572 178.013 177.584 -0.239 0.000 1.483 458 A CA -0.519 51.074 52.037 -0.739 0.000 0.889 458 A CB 0.760 19.360 19.000 -0.666 0.000 1.604 458 A HN 0.874 nan 8.150 nan 0.000 0.523 459 R N -2.563 117.849 120.500 -0.147 0.000 2.420 459 R HA 0.257 4.601 4.340 0.006 0.000 0.126 459 R C 1.512 177.799 176.300 -0.022 0.000 1.871 459 R CA 0.452 56.531 56.100 -0.035 0.000 1.558 459 R CB -0.077 30.242 30.300 0.032 0.000 1.338 459 R HN 0.744 nan 8.270 nan 0.000 0.471 460 E N 0.314 120.509 120.200 -0.009 0.000 2.307 460 E HA 0.052 4.406 4.350 0.006 0.000 0.195 460 E C 0.130 176.828 176.600 0.164 0.000 0.975 460 E CA 0.379 56.847 56.400 0.114 0.000 0.878 460 E CB 0.311 30.186 29.700 0.292 0.000 0.845 460 E HN 0.256 nan 8.360 nan 0.000 0.488 461 R N 0.177 120.713 120.500 0.060 0.000 3.531 461 R HA -0.262 4.081 4.340 0.006 0.000 0.582 461 R C 0.397 176.802 176.300 0.175 0.000 0.241 461 R CA 1.188 57.367 56.100 0.130 0.000 1.798 461 R CB -1.725 28.609 30.300 0.057 0.000 0.875 461 R HN 0.113 nan 8.270 nan 0.000 0.617 462 S N 0.105 115.767 115.700 -0.063 0.000 2.513 462 S HA 0.144 4.617 4.470 0.006 0.000 0.276 462 S C 0.227 174.780 174.600 -0.079 0.000 1.254 462 S CA -0.364 57.630 58.200 -0.343 0.000 1.053 462 S CB 1.280 64.300 63.200 -0.300 0.000 0.958 462 S HN 0.469 nan 8.310 nan 0.000 0.491 463 D N 2.594 122.913 120.400 -0.134 0.000 2.349 463 D HA 0.179 4.823 4.640 0.006 0.000 0.215 463 D C -0.331 175.968 176.300 -0.001 0.000 1.016 463 D CA 0.728 54.690 54.000 -0.064 0.000 0.870 463 D CB 0.495 41.218 40.800 -0.128 0.000 0.917 463 D HN 0.650 nan 8.370 nan 0.000 0.524 464 T N -0.205 114.382 114.554 0.055 0.000 3.310 464 T HA 0.011 4.364 4.350 0.006 0.000 0.420 464 T C -1.292 173.568 174.700 0.266 0.000 1.653 464 T CA -0.781 61.426 62.100 0.179 0.000 1.062 464 T CB -0.004 68.908 68.868 0.074 0.000 1.637 464 T HN -0.239 nan 8.240 nan 0.000 0.466 465 F N 3.629 123.605 119.950 0.043 0.000 2.462 465 F HA 0.432 4.963 4.527 0.006 0.000 0.360 465 F C 1.124 176.937 175.800 0.021 0.000 1.134 465 F CA -1.290 56.752 58.000 0.069 0.000 1.148 465 F CB -0.249 38.887 39.000 0.227 0.000 1.147 465 F HN 0.332 nan 8.300 nan 0.000 0.550 466 I N 2.304 122.939 120.570 0.108 0.000 3.110 466 I HA 0.176 4.350 4.170 0.006 0.000 0.314 466 I C 0.879 177.051 176.117 0.092 0.000 1.020 466 I CA -0.709 60.643 61.300 0.087 0.000 1.169 466 I CB 0.679 38.732 38.000 0.089 0.000 1.437 466 I HN 0.406 nan 8.210 nan 0.000 0.595 467 N N 3.167 121.910 118.700 0.072 0.000 2.908 467 N HA 0.333 5.076 4.740 0.006 0.000 0.316 467 N C -1.548 173.998 175.510 0.060 0.000 1.619 467 N CA -0.236 52.859 53.050 0.074 0.000 1.045 467 N CB 0.068 38.586 38.487 0.052 0.000 1.357 467 N HN 0.387 nan 8.380 nan 0.000 0.501 468 L N -1.896 119.370 121.223 0.071 0.000 2.409 468 L HA 0.587 4.931 4.340 0.006 0.000 0.255 468 L C 1.583 178.506 176.870 0.088 0.000 1.027 468 L CA -0.960 53.910 54.840 0.050 0.000 0.834 468 L CB 0.542 42.605 42.059 0.007 0.000 1.426 468 L HN -0.176 nan 8.230 nan 0.000 0.411 469 R N -0.254 120.293 120.500 0.078 0.000 2.133 469 R HA -0.129 4.215 4.340 0.006 0.000 0.245 469 R C 0.102 176.510 176.300 0.180 0.000 1.137 469 R CA 2.286 58.469 56.100 0.137 0.000 0.947 469 R CB 0.198 30.582 30.300 0.139 0.000 0.865 469 R HN 0.837 nan 8.270 nan 0.000 0.437 470 E N -0.642 119.651 120.200 0.156 0.000 2.266 470 E HA 0.296 4.649 4.350 0.006 0.000 0.268 470 E C -1.702 175.004 176.600 0.177 0.000 0.879 470 E CA -0.656 55.854 56.400 0.184 0.000 0.762 470 E CB 2.201 32.008 29.700 0.178 0.000 1.199 470 E HN -0.084 nan 8.360 nan 0.000 0.422 471 V N 5.257 125.288 119.914 0.196 0.000 2.398 471 V HA 0.372 4.496 4.120 0.006 0.000 0.286 471 V C 0.063 176.297 176.094 0.234 0.000 1.026 471 V CA -0.499 61.905 62.300 0.172 0.000 0.868 471 V CB 1.150 33.029 31.823 0.093 0.000 0.982 471 V HN 0.642 nan 8.190 nan 0.000 0.443 472 L N 3.665 124.953 121.223 0.109 0.000 2.492 472 L HA 0.717 5.061 4.340 0.006 0.000 0.263 472 L C 0.276 177.137 176.870 -0.014 0.000 1.062 472 L CA -0.560 54.308 54.840 0.046 0.000 0.817 472 L CB 0.884 42.869 42.059 -0.124 0.000 1.441 472 L HN 0.621 nan 8.230 nan 0.000 0.493 473 N N 0.741 119.353 118.700 -0.147 0.000 5.160 473 N HA 0.004 4.747 4.740 0.006 0.000 0.154 473 N C -1.655 173.396 175.510 -0.766 0.000 1.159 473 N CA -0.506 52.263 53.050 -0.468 0.000 1.002 473 N CB 0.927 39.238 38.487 -0.293 0.000 1.603 473 N HN 0.555 nan 8.380 nan 0.000 0.997 474 R N 3.376 123.456 120.500 -0.701 0.000 2.298 474 R HA 0.487 4.831 4.340 0.006 0.000 0.310 474 R C -0.795 175.026 176.300 -0.798 0.000 1.068 474 R CA 0.221 55.998 56.100 -0.539 0.000 0.957 474 R CB 0.405 30.556 30.300 -0.248 0.000 1.003 474 R HN 0.241 nan 8.270 nan 0.000 0.454 475 F N 2.240 121.893 119.950 -0.494 0.000 2.712 475 F HA 0.480 5.011 4.527 0.006 0.000 0.367 475 F C 0.091 175.633 175.800 -0.429 0.000 1.132 475 F CA -0.954 56.669 58.000 -0.629 0.000 1.066 475 F CB 1.572 39.797 39.000 -1.293 0.000 1.416 475 F HN 0.355 nan 8.300 nan 0.000 0.515 476 K N 1.981 122.375 120.400 -0.010 0.000 2.792 476 K HA 0.332 4.656 4.320 0.006 0.000 0.264 476 K C -2.249 174.451 176.600 0.167 0.000 1.373 476 K CA -0.032 56.325 56.287 0.117 0.000 0.940 476 K CB 0.384 32.938 32.500 0.089 0.000 1.377 476 K HN 0.533 nan 8.250 nan 0.000 0.527 477 L N 3.448 124.834 121.223 0.271 0.000 2.344 477 L HA 0.624 4.968 4.340 0.006 0.000 0.272 477 L C -1.930 175.091 176.870 0.252 0.000 1.035 477 L CA -2.324 52.639 54.840 0.205 0.000 0.807 477 L CB 1.362 43.429 42.059 0.013 0.000 1.237 477 L HN 0.375 nan 8.230 nan 0.000 0.442 478 P HA 0.065 nan 4.420 nan 0.000 0.268 478 P C -2.581 174.890 177.300 0.284 0.000 1.208 478 P CA -1.307 61.932 63.100 0.231 0.000 0.777 478 P CB -0.474 31.339 31.700 0.188 0.000 0.875 479 P HA 0.063 nan 4.420 nan 0.000 0.250 479 P C 0.419 177.805 177.300 0.143 0.000 1.198 479 P CA 1.218 64.418 63.100 0.167 0.000 1.118 479 P CB -0.583 31.184 31.700 0.112 0.000 1.208 480 G N 2.482 111.388 108.800 0.177 0.000 2.827 480 G HA2 0.380 4.344 3.960 0.006 0.000 0.202 480 G HA3 0.380 4.344 3.960 0.006 0.000 0.202 480 G C -1.432 173.423 174.900 -0.075 0.000 1.185 480 G CA -0.464 44.633 45.100 -0.004 0.000 0.920 480 G HN 0.276 nan 8.290 nan 0.000 0.550 481 E N -0.364 119.614 120.200 -0.371 0.000 2.246 481 E HA 0.560 4.914 4.350 0.006 0.000 0.266 481 E C -1.807 174.497 176.600 -0.493 0.000 0.880 481 E CA -0.396 55.855 56.400 -0.248 0.000 0.762 481 E CB 2.376 32.002 29.700 -0.123 0.000 1.180 481 E HN 0.401 nan 8.360 nan 0.000 0.416 482 Y N 1.312 121.654 120.300 0.070 0.000 2.602 482 Y HA 0.517 5.070 4.550 0.006 0.000 0.342 482 Y C -0.181 175.828 175.900 0.182 0.000 1.029 482 Y CA -1.255 56.927 58.100 0.136 0.000 1.080 482 Y CB 1.294 39.819 38.460 0.109 0.000 1.284 482 Y HN 0.328 nan 8.280 nan 0.000 0.485 483 I N 3.167 124.000 120.570 0.439 0.000 2.418 483 I HA 0.328 4.502 4.170 0.006 0.000 0.287 483 I C -0.847 175.586 176.117 0.528 0.000 1.008 483 I CA -0.802 60.733 61.300 0.393 0.000 1.104 483 I CB 1.199 39.370 38.000 0.285 0.000 1.264 483 I HN 0.449 nan 8.210 nan 0.000 0.438 484 L N 6.439 127.978 121.223 0.526 0.000 2.295 484 L HA 0.548 4.892 4.340 0.006 0.000 0.285 484 L C -0.411 176.806 176.870 0.578 0.000 1.035 484 L CA -0.839 54.333 54.840 0.555 0.000 0.806 484 L CB 1.968 44.303 42.059 0.459 0.000 1.214 484 L HN 0.219 nan 8.230 nan 0.000 0.426 485 V N 4.405 124.647 119.914 0.547 0.000 2.284 485 V HA 0.304 4.428 4.120 0.006 0.000 0.274 485 V C -2.131 174.233 176.094 0.449 0.000 1.023 485 V CA -1.534 61.010 62.300 0.407 0.000 0.808 485 V CB 1.111 33.010 31.823 0.127 0.000 1.035 485 V HN 0.587 nan 8.190 nan 0.000 0.445 486 P HA 0.437 nan 4.420 nan 0.000 0.279 486 P C -0.399 177.170 177.300 0.448 0.000 1.239 486 P CA 0.160 63.457 63.100 0.329 0.000 0.789 486 P CB 1.758 33.396 31.700 -0.104 0.000 0.933 487 S N 0.565 116.423 115.700 0.263 0.000 2.636 487 S HA 0.561 5.035 4.470 0.006 0.000 0.266 487 S C -0.125 174.233 174.600 -0.404 0.000 1.147 487 S CA -0.628 57.413 58.200 -0.266 0.000 0.815 487 S CB 0.818 64.065 63.200 0.079 0.000 1.119 487 S HN 0.580 nan 8.310 nan 0.000 0.470 488 T N -1.122 113.065 114.554 -0.612 0.000 2.902 488 T HA 0.604 4.958 4.350 0.006 0.000 0.287 488 T C 0.666 175.500 174.700 0.223 0.000 1.048 488 T CA -0.431 61.558 62.100 -0.185 0.000 0.941 488 T CB 0.020 68.664 68.868 -0.373 0.000 1.432 488 T HN 0.570 nan 8.240 nan 0.000 0.586 489 F N 0.999 120.991 119.950 0.069 0.000 2.148 489 F HA 0.318 4.849 4.527 0.006 0.000 0.285 489 F C 1.278 177.021 175.800 -0.094 0.000 1.092 489 F CA 0.578 58.528 58.000 -0.083 0.000 1.218 489 F CB 0.042 39.011 39.000 -0.051 0.000 1.059 489 F HN 0.502 nan 8.300 nan 0.000 0.490 490 E N 1.437 121.658 120.200 0.035 0.000 2.277 490 E HA 0.228 4.582 4.350 0.006 0.000 0.274 490 E C -2.307 174.031 176.600 -0.437 0.000 1.022 490 E CA -2.018 54.173 56.400 -0.349 0.000 0.853 490 E CB 0.517 30.142 29.700 -0.126 0.000 1.086 490 E HN 0.065 nan 8.360 nan 0.000 0.397 491 P HA 0.005 nan 4.420 nan 0.000 0.274 491 P C -0.623 176.560 177.300 -0.196 0.000 1.264 491 P CA 0.021 62.893 63.100 -0.380 0.000 0.795 491 P CB 0.264 31.701 31.700 -0.438 0.000 1.064 492 N N -2.538 116.132 118.700 -0.050 0.000 2.725 492 N HA -0.205 4.538 4.740 0.006 0.000 0.249 492 N C -0.812 174.693 175.510 -0.010 0.000 1.103 492 N CA 0.570 53.635 53.050 0.025 0.000 0.707 492 N CB -1.121 37.384 38.487 0.029 0.000 1.043 492 N HN 0.390 nan 8.380 nan 0.000 0.553 493 K N 1.216 121.583 120.400 -0.055 0.000 2.414 493 K HA 0.182 4.505 4.320 0.006 0.000 0.251 493 K C -0.779 175.918 176.600 0.162 0.000 1.037 493 K CA -0.719 55.514 56.287 -0.090 0.000 0.980 493 K CB 0.928 33.142 32.500 -0.477 0.000 1.280 493 K HN 0.067 nan 8.250 nan 0.000 0.451 494 D N 1.544 122.094 120.400 0.250 0.000 2.449 494 D HA 0.219 4.863 4.640 0.006 0.000 0.236 494 D C 0.596 177.169 176.300 0.454 0.000 1.149 494 D CA 1.035 55.224 54.000 0.315 0.000 0.878 494 D CB 1.293 42.209 40.800 0.193 0.000 1.198 494 D HN 0.731 nan 8.370 nan 0.000 0.446 495 G N 1.109 110.166 108.800 0.429 0.000 2.361 495 G HA2 0.282 4.246 3.960 0.006 0.000 0.299 495 G HA3 0.282 4.246 3.960 0.006 0.000 0.299 495 G C -1.687 173.344 174.900 0.219 0.000 1.544 495 G CA -0.755 44.573 45.100 0.379 0.000 0.860 495 G HN 0.277 nan 8.290 nan 0.000 0.610 496 D N -0.481 119.935 120.400 0.026 0.000 2.340 496 D HA 0.847 5.490 4.640 0.006 0.000 0.243 496 D C -0.272 175.940 176.300 -0.148 0.000 0.988 496 D CA 0.097 53.983 54.000 -0.188 0.000 0.959 496 D CB 2.126 42.799 40.800 -0.212 0.000 1.226 496 D HN 0.539 nan 8.370 nan 0.000 0.509 497 F N -1.522 118.223 119.950 -0.343 0.000 2.741 497 F HA 0.561 5.093 4.527 0.008 0.000 0.313 497 F C -1.591 174.114 175.800 -0.159 0.000 1.153 497 F CA -1.248 56.593 58.000 -0.264 0.000 0.931 497 F CB 1.110 39.854 39.000 -0.428 0.000 1.335 497 F HN 0.361 nan 8.300 nan 0.000 0.460 498 C N 2.941 122.375 119.300 0.223 0.000 2.446 498 C HA 0.769 5.233 4.460 0.006 0.000 0.329 498 C C -0.951 174.186 174.990 0.245 0.000 1.166 498 C CA -0.717 58.394 59.018 0.155 0.000 1.341 498 C CB 0.327 28.146 27.740 0.133 0.000 1.970 498 C HN 0.931 nan 8.230 nan 0.000 0.452 499 I N 8.052 128.725 120.570 0.172 0.000 2.405 499 I HA 0.502 4.676 4.170 0.006 0.000 0.280 499 I C 0.096 176.203 176.117 -0.016 0.000 1.027 499 I CA -0.246 61.076 61.300 0.037 0.000 1.161 499 I CB 0.173 38.108 38.000 -0.108 0.000 1.300 499 I HN 0.748 nan 8.210 nan 0.000 0.463 500 R N 5.341 125.858 120.500 0.028 0.000 2.541 500 R HA 0.789 5.133 4.340 0.006 0.000 0.254 500 R C -1.131 175.142 176.300 -0.044 0.000 1.130 500 R CA -1.037 55.087 56.100 0.040 0.000 1.152 500 R CB 1.505 31.938 30.300 0.222 0.000 1.222 500 R HN 0.370 nan 8.270 nan 0.000 0.579 501 V N 1.872 121.776 119.914 -0.017 0.000 2.624 501 V HA 0.238 4.362 4.120 0.006 0.000 0.294 501 V C -1.538 174.623 176.094 0.111 0.000 1.077 501 V CA -0.646 61.671 62.300 0.028 0.000 0.905 501 V CB 1.344 33.049 31.823 -0.196 0.000 1.025 501 V HN 0.492 nan 8.190 nan 0.000 0.440 502 F N 3.578 123.523 119.950 -0.008 0.000 2.371 502 F HA 0.669 5.200 4.527 0.007 0.000 0.363 502 F C 0.801 176.850 175.800 0.415 0.000 1.122 502 F CA -0.424 57.613 58.000 0.061 0.000 1.129 502 F CB 1.836 40.531 39.000 -0.510 0.000 1.173 502 F HN 0.500 nan 8.300 nan 0.000 0.489 503 S N 1.140 117.218 115.700 0.630 0.000 2.536 503 S HA 0.343 4.816 4.470 0.006 0.000 0.298 503 S C 0.609 175.452 174.600 0.405 0.000 1.083 503 S CA -0.821 57.707 58.200 0.547 0.000 0.995 503 S CB 1.857 65.252 63.200 0.325 0.000 1.058 503 S HN 0.731 nan 8.310 nan 0.000 0.488 504 E N 0.752 121.040 120.200 0.148 0.000 2.347 504 E HA 0.044 4.398 4.350 0.006 0.000 0.196 504 E C -0.075 176.505 176.600 -0.032 0.000 1.008 504 E CA 0.796 57.104 56.400 -0.154 0.000 0.852 504 E CB 0.179 29.739 29.700 -0.233 0.000 0.783 504 E HN 0.472 nan 8.360 nan 0.000 0.505 505 K N 0.244 120.682 120.400 0.062 0.000 2.435 505 K HA 0.263 4.587 4.320 0.006 0.000 0.251 505 K C -1.385 175.264 176.600 0.082 0.000 0.954 505 K CA -0.887 55.435 56.287 0.057 0.000 0.820 505 K CB 1.439 33.971 32.500 0.054 0.000 1.292 505 K HN -0.175 nan 8.250 nan 0.000 0.436 506 K N 0.755 121.192 120.400 0.063 0.000 2.591 506 K HA 0.272 4.596 4.320 0.006 0.000 0.280 506 K C -0.595 176.049 176.600 0.073 0.000 0.964 506 K CA 0.484 56.809 56.287 0.064 0.000 1.014 506 K CB 0.153 32.683 32.500 0.051 0.000 0.877 506 K HN 0.570 nan 8.250 nan 0.000 0.502 507 A N 2.061 124.927 122.820 0.076 0.000 2.604 507 A HA 0.212 4.536 4.320 0.006 0.000 0.285 507 A C -1.357 176.291 177.584 0.107 0.000 1.095 507 A CA -0.922 51.162 52.037 0.077 0.000 0.842 507 A CB 0.539 19.573 19.000 0.057 0.000 1.385 507 A HN 0.707 nan 8.150 nan 0.000 0.404 508 D N 1.510 121.972 120.400 0.104 0.000 2.402 508 D HA 0.147 4.791 4.640 0.006 0.000 0.268 508 D C -0.703 175.712 176.300 0.191 0.000 1.294 508 D CA 1.307 55.379 54.000 0.120 0.000 0.945 508 D CB -0.054 40.794 40.800 0.080 0.000 1.112 508 D HN 0.371 nan 8.370 nan 0.000 0.517 509 Y N 4.371 124.705 120.300 0.056 0.000 2.388 509 Y HA 0.319 4.873 4.550 0.007 0.000 0.328 509 Y C -0.569 175.394 175.900 0.105 0.000 0.963 509 Y CA -0.676 57.472 58.100 0.081 0.000 1.240 509 Y CB 0.590 39.096 38.460 0.075 0.000 1.118 509 Y HN 0.325 nan 8.280 nan 0.000 0.484 510 Q N 3.138 122.804 119.800 -0.223 0.000 2.252 510 Q HA 0.720 5.063 4.340 0.006 0.000 0.256 510 Q C -0.976 174.863 176.000 -0.268 0.000 1.020 510 Q CA -0.930 54.764 55.803 -0.182 0.000 0.913 510 Q CB 2.079 30.767 28.738 -0.084 0.000 1.286 510 Q HN 0.750 nan 8.270 nan 0.000 0.480 511 A N 1.267 124.001 122.820 -0.144 0.000 2.690 511 A HA 0.381 4.705 4.320 0.006 0.000 0.342 511 A C -0.278 177.178 177.584 -0.214 0.000 1.410 511 A CA -0.507 51.415 52.037 -0.192 0.000 0.958 511 A CB -0.168 18.780 19.000 -0.086 0.000 1.153 511 A HN 0.367 nan 8.150 nan 0.000 0.497 512 V N 3.217 122.993 119.914 -0.229 0.000 2.420 512 V HA 0.155 4.279 4.120 0.006 0.000 0.274 512 V C 0.133 176.165 176.094 -0.102 0.000 1.003 512 V CA 0.869 63.082 62.300 -0.144 0.000 1.092 512 V CB -0.295 31.453 31.823 -0.126 0.000 1.002 512 V HN 0.903 nan 8.190 nan 0.000 0.473 513 D N 2.778 123.152 120.400 -0.043 0.000 2.692 513 D HA 0.258 4.901 4.640 0.006 0.000 0.290 513 D C -1.275 175.055 176.300 0.051 0.000 1.281 513 D CA -0.637 53.380 54.000 0.027 0.000 0.804 513 D CB 2.014 42.792 40.800 -0.037 0.000 1.331 513 D HN 0.349 nan 8.370 nan 0.000 0.432 514 D N 0.655 121.112 120.400 0.095 0.000 2.345 514 D HA 0.209 4.853 4.640 0.006 0.000 0.247 514 D C 0.098 176.428 176.300 0.051 0.000 1.108 514 D CA 0.008 54.062 54.000 0.091 0.000 0.894 514 D CB 0.923 41.810 40.800 0.146 0.000 1.203 514 D HN 0.377 nan 8.370 nan 0.000 0.430 515 E N 0.881 121.106 120.200 0.043 0.000 2.371 515 E HA 0.234 4.587 4.350 0.006 0.000 0.257 515 E C -0.188 176.439 176.600 0.045 0.000 1.134 515 E CA -0.570 55.847 56.400 0.028 0.000 0.919 515 E CB 0.726 30.441 29.700 0.024 0.000 1.025 515 E HN 0.337 nan 8.360 nan 0.000 0.438 516 I N 1.648 122.239 120.570 0.035 0.000 2.406 516 I HA 0.110 4.283 4.170 0.006 0.000 0.293 516 I C 0.405 176.608 176.117 0.143 0.000 1.101 516 I CA 0.214 61.562 61.300 0.080 0.000 1.334 516 I CB -0.131 37.882 38.000 0.021 0.000 1.421 516 I HN 0.544 nan 8.210 nan 0.000 0.513 517 E N 5.049 125.340 120.200 0.152 0.000 2.227 517 E HA 0.807 5.161 4.350 0.006 0.000 0.268 517 E C -1.138 175.493 176.600 0.052 0.000 0.907 517 E CA -0.997 55.462 56.400 0.098 0.000 0.786 517 E CB 2.322 32.052 29.700 0.049 0.000 1.191 517 E HN 0.699 nan 8.360 nan 0.000 0.411 518 A N 3.888 126.651 122.820 -0.094 0.000 2.466 518 A HA 0.367 4.690 4.320 0.006 0.000 0.284 518 A C -1.514 175.867 177.584 -0.338 0.000 1.049 518 A CA -0.888 50.925 52.037 -0.374 0.000 0.760 518 A CB 0.710 19.251 19.000 -0.765 0.000 1.274 518 A HN 0.618 nan 8.150 nan 0.000 0.412 519 N N 3.005 121.457 118.700 -0.412 0.000 2.616 519 N HA 0.515 5.258 4.740 0.006 0.000 0.281 519 N C -1.569 173.750 175.510 -0.319 0.000 1.145 519 N CA -0.295 52.580 53.050 -0.292 0.000 0.919 519 N CB 1.548 39.928 38.487 -0.177 0.000 1.509 519 N HN 0.564 nan 8.380 nan 0.000 0.537 520 L N 0.696 121.740 121.223 -0.298 0.000 3.189 520 L HA 0.555 4.898 4.340 0.006 0.000 0.223 520 L C -0.555 176.197 176.870 -0.197 0.000 1.955 520 L CA -0.211 54.488 54.840 -0.235 0.000 2.201 520 L CB 0.322 42.232 42.059 -0.249 0.000 2.141 520 L HN 0.305 nan 8.230 nan 0.000 0.585 521 E N 1.323 121.438 120.200 -0.141 0.000 2.392 521 E HA 0.113 4.467 4.350 0.006 0.000 0.264 521 E C -0.754 175.411 176.600 -0.725 0.000 1.024 521 E CA 0.246 56.513 56.400 -0.221 0.000 0.903 521 E CB 0.885 30.671 29.700 0.143 0.000 0.963 521 E HN 0.237 nan 8.360 nan 0.000 0.432 522 E N 2.051 121.908 120.200 -0.571 0.000 3.269 522 E HA 0.109 4.463 4.350 0.006 0.000 0.221 522 E C -0.709 175.609 176.600 -0.470 0.000 1.113 522 E CA -0.559 55.480 56.400 -0.603 0.000 1.385 522 E CB -0.839 28.686 29.700 -0.293 0.000 1.345 522 E HN 0.321 nan 8.360 nan 0.000 0.435 523 F N -0.223 119.706 119.950 -0.036 0.000 2.494 523 F HA 0.118 4.648 4.527 0.005 0.000 0.378 523 F C 0.449 176.252 175.800 0.006 0.000 1.176 523 F CA -0.818 57.168 58.000 -0.022 0.000 1.329 523 F CB -1.067 37.903 39.000 -0.049 0.000 1.774 523 F HN -0.025 nan 8.300 nan 0.000 0.681 524 D N 2.713 123.164 120.400 0.085 0.000 2.451 524 D HA 0.053 4.697 4.640 0.006 0.000 0.254 524 D C 0.931 177.310 176.300 0.131 0.000 1.204 524 D CA -0.020 54.034 54.000 0.089 0.000 0.896 524 D CB 0.459 41.283 40.800 0.039 0.000 1.136 524 D HN 0.421 nan 8.370 nan 0.000 0.499 525 I N 1.932 122.588 120.570 0.144 0.000 3.558 525 I HA -0.008 4.166 4.170 0.006 0.000 0.204 525 I C 1.112 177.293 176.117 0.108 0.000 1.400 525 I CA 0.146 61.526 61.300 0.133 0.000 0.982 525 I CB -0.295 37.773 38.000 0.112 0.000 1.592 525 I HN 0.467 nan 8.210 nan 0.000 0.902 526 S N -0.724 115.036 115.700 0.099 0.000 2.596 526 S HA 0.036 4.509 4.470 0.006 0.000 0.274 526 S C -0.361 174.285 174.600 0.076 0.000 1.028 526 S CA -0.045 58.202 58.200 0.078 0.000 1.012 526 S CB 0.136 63.379 63.200 0.071 0.000 1.261 526 S HN 0.888 nan 8.310 nan 0.000 0.465 527 E N -0.004 120.229 120.200 0.056 0.000 2.583 527 E HA 0.213 4.566 4.350 0.006 0.000 0.204 527 E C -0.360 176.257 176.600 0.028 0.000 0.860 527 E CA 0.274 56.704 56.400 0.050 0.000 1.473 527 E CB -0.255 29.472 29.700 0.045 0.000 1.469 527 E HN 0.634 nan 8.360 nan 0.000 0.788 528 D N 1.073 121.487 120.400 0.023 0.000 2.466 528 D HA 0.274 4.918 4.640 0.006 0.000 0.262 528 D C -0.312 175.988 176.300 0.001 0.000 1.177 528 D CA -0.092 53.913 54.000 0.010 0.000 1.035 528 D CB 0.596 41.404 40.800 0.014 0.000 1.105 528 D HN -0.204 nan 8.370 nan 0.000 0.551 529 D N -1.507 118.889 120.400 -0.007 0.000 2.304 529 D HA -0.214 4.430 4.640 0.006 0.000 0.162 529 D C 1.345 177.616 176.300 -0.048 0.000 1.458 529 D CA 1.222 55.215 54.000 -0.010 0.000 1.334 529 D CB -1.194 39.614 40.800 0.013 0.000 1.250 529 D HN 0.504 nan 8.370 nan 0.000 0.458 530 I N 0.198 120.711 120.570 -0.094 0.000 2.700 530 I HA -0.148 4.026 4.170 0.006 0.000 0.261 530 I C 0.499 176.512 176.117 -0.174 0.000 1.219 530 I CA 1.260 62.410 61.300 -0.249 0.000 1.463 530 I CB -0.273 37.555 38.000 -0.288 0.000 1.092 530 I HN 0.040 nan 8.210 nan 0.000 0.452 531 D N 0.602 120.952 120.400 -0.084 0.000 2.947 531 D HA -0.236 4.408 4.640 0.006 0.000 0.224 531 D C 0.490 176.770 176.300 -0.033 0.000 1.132 531 D CA 0.926 54.899 54.000 -0.046 0.000 0.801 531 D CB -0.777 40.002 40.800 -0.035 0.000 1.097 531 D HN 0.447 nan 8.370 nan 0.000 0.431 532 D N -2.971 117.410 120.400 -0.031 0.000 3.067 532 D HA -0.222 4.422 4.640 0.006 0.000 0.216 532 D C 1.357 177.651 176.300 -0.009 0.000 1.162 532 D CA 1.990 55.983 54.000 -0.012 0.000 0.960 532 D CB -1.041 39.755 40.800 -0.007 0.000 1.129 532 D HN 0.600 nan 8.370 nan 0.000 0.408 533 G N -0.425 108.361 108.800 -0.023 0.000 2.551 533 G HA2 -0.059 3.905 3.960 0.006 0.000 0.214 533 G HA3 -0.059 3.905 3.960 0.006 0.000 0.214 533 G C 1.703 176.607 174.900 0.007 0.000 1.250 533 G CA 1.208 46.302 45.100 -0.009 0.000 0.825 533 G HN 0.345 nan 8.290 nan 0.000 0.549 534 V N 0.988 120.900 119.914 -0.003 0.000 2.490 534 V HA -0.140 3.983 4.120 0.006 0.000 0.250 534 V C 2.735 178.909 176.094 0.133 0.000 1.061 534 V CA 1.984 64.315 62.300 0.052 0.000 1.064 534 V CB -0.586 31.269 31.823 0.053 0.000 0.670 534 V HN 0.364 nan 8.190 nan 0.000 0.461 535 R N 0.234 120.787 120.500 0.087 0.000 2.143 535 R HA -0.279 4.065 4.340 0.006 0.000 0.239 535 R C 2.515 178.852 176.300 0.062 0.000 1.126 535 R CA 2.602 58.762 56.100 0.100 0.000 0.927 535 R CB -0.371 29.953 30.300 0.039 0.000 0.860 535 R HN 0.476 nan 8.270 nan 0.000 0.433 536 R N 0.598 121.114 120.500 0.026 0.000 2.147 536 R HA -0.183 4.160 4.340 0.006 0.000 0.225 536 R C 2.519 178.813 176.300 -0.010 0.000 1.120 536 R CA 2.502 58.601 56.100 -0.001 0.000 0.891 536 R CB -0.725 29.574 30.300 -0.002 0.000 0.822 536 R HN 0.442 nan 8.270 nan 0.000 0.433 537 L N -1.244 119.985 121.223 0.009 0.000 2.187 537 L HA -0.076 4.267 4.340 0.006 0.000 0.213 537 L C 2.413 179.294 176.870 0.018 0.000 1.100 537 L CA 1.372 56.214 54.840 0.003 0.000 0.765 537 L CB -0.825 41.237 42.059 0.006 0.000 0.904 537 L HN 0.261 nan 8.230 nan 0.000 0.437 538 F N 1.664 121.551 119.950 -0.105 0.000 2.074 538 F HA -0.014 4.516 4.527 0.006 0.000 0.293 538 F C 2.668 178.357 175.800 -0.185 0.000 1.116 538 F CA 1.290 59.182 58.000 -0.180 0.000 1.212 538 F CB -0.192 38.683 39.000 -0.209 0.000 0.998 538 F HN 0.054 nan 8.300 nan 0.000 0.471 539 A N 0.147 122.656 122.820 -0.519 0.000 2.042 539 A HA -0.346 3.978 4.320 0.006 0.000 0.222 539 A C 2.175 179.517 177.584 -0.403 0.000 1.167 539 A CA 2.163 53.865 52.037 -0.559 0.000 0.649 539 A CB -1.185 17.663 19.000 -0.252 0.000 0.809 539 A HN 0.720 nan 8.150 nan 0.000 0.457 540 Q N -0.736 118.908 119.800 -0.261 0.000 2.119 540 Q HA -0.054 4.290 4.340 0.006 0.000 0.201 540 Q C 1.834 177.720 176.000 -0.189 0.000 0.972 540 Q CA 1.236 56.935 55.803 -0.173 0.000 0.847 540 Q CB -0.160 28.518 28.738 -0.099 0.000 0.903 540 Q HN 0.714 nan 8.270 nan 0.000 0.433 541 L N 0.269 121.350 121.223 -0.237 0.000 2.240 541 L HA 0.099 4.443 4.340 0.006 0.000 0.211 541 L C 0.876 177.593 176.870 -0.256 0.000 1.106 541 L CA 0.075 54.806 54.840 -0.182 0.000 0.793 541 L CB -0.135 41.871 42.059 -0.089 0.000 0.927 541 L HN 0.078 nan 8.230 nan 0.000 0.446 542 A N 0.057 122.591 122.820 -0.478 0.000 2.362 542 A HA 0.452 4.776 4.320 0.006 0.000 0.276 542 A C 1.403 178.833 177.584 -0.258 0.000 1.153 542 A CA 0.229 52.011 52.037 -0.425 0.000 0.813 542 A CB 0.699 19.284 19.000 -0.692 0.000 1.081 542 A HN 0.303 nan 8.150 nan 0.000 0.507 543 G N 1.065 109.769 108.800 -0.160 0.000 2.476 543 G HA2 -0.183 3.780 3.960 0.006 0.000 0.218 543 G HA3 -0.183 3.780 3.960 0.006 0.000 0.218 543 G C 1.181 176.012 174.900 -0.115 0.000 1.164 543 G CA 1.855 46.888 45.100 -0.112 0.000 0.768 543 G HN 0.761 nan 8.290 nan 0.000 0.560 544 E N -0.906 119.222 120.200 -0.121 0.000 2.949 544 E HA 0.108 4.462 4.350 0.006 0.000 0.182 544 E C 1.834 178.361 176.600 -0.121 0.000 1.154 544 E CA 0.436 56.773 56.400 -0.104 0.000 1.205 544 E CB -0.254 29.405 29.700 -0.068 0.000 1.865 544 E HN 0.096 nan 8.360 nan 0.000 0.516 545 D N -0.662 119.674 120.400 -0.106 0.000 2.320 545 D HA 0.220 4.864 4.640 0.006 0.000 0.228 545 D C 0.471 176.689 176.300 -0.137 0.000 0.978 545 D CA 1.401 55.345 54.000 -0.094 0.000 0.905 545 D CB 0.869 41.643 40.800 -0.043 0.000 1.051 545 D HN 0.254 nan 8.370 nan 0.000 0.471 546 A N 0.156 122.892 122.820 -0.141 0.000 2.385 546 A HA 0.013 4.337 4.320 0.006 0.000 0.214 546 A C -0.499 177.096 177.584 0.018 0.000 2.805 546 A CA -0.294 51.651 52.037 -0.154 0.000 1.499 546 A CB 0.044 19.101 19.000 0.095 0.000 0.442 546 A HN -0.066 nan 8.150 nan 0.000 0.525 547 E N 0.779 120.969 120.200 -0.016 0.000 2.338 547 E HA 0.486 4.840 4.350 0.006 0.000 0.272 547 E C -0.544 176.080 176.600 0.038 0.000 1.029 547 E CA 0.053 56.482 56.400 0.048 0.000 0.872 547 E CB 1.152 30.867 29.700 0.025 0.000 1.015 547 E HN 0.295 nan 8.360 nan 0.000 0.417 548 I N 2.238 122.876 120.570 0.112 0.000 2.529 548 I HA 0.030 4.204 4.170 0.006 0.000 0.284 548 I C 0.482 176.680 176.117 0.135 0.000 1.088 548 I CA -0.533 60.837 61.300 0.117 0.000 1.062 548 I CB 1.362 39.466 38.000 0.173 0.000 1.218 548 I HN 0.435 nan 8.210 nan 0.000 0.442 549 S N 4.646 120.418 115.700 0.121 0.000 2.596 549 S HA 0.377 4.851 4.470 0.006 0.000 0.260 549 S C 1.474 176.154 174.600 0.134 0.000 1.336 549 S CA 0.276 58.556 58.200 0.134 0.000 0.993 549 S CB 1.291 64.591 63.200 0.167 0.000 0.923 549 S HN 0.696 nan 8.310 nan 0.000 0.567 550 A N 0.574 123.446 122.820 0.086 0.000 2.019 550 A HA 0.058 4.381 4.320 0.006 0.000 0.219 550 A C 1.657 179.193 177.584 -0.080 0.000 1.164 550 A CA 1.175 53.194 52.037 -0.029 0.000 0.644 550 A CB -1.051 17.864 19.000 -0.141 0.000 0.805 550 A HN 0.811 nan 8.150 nan 0.000 0.449 551 F N -0.335 119.647 119.950 0.053 0.000 2.456 551 F HA 0.032 4.563 4.527 0.006 0.000 0.298 551 F C 2.377 178.216 175.800 0.065 0.000 1.104 551 F CA 1.197 59.229 58.000 0.053 0.000 1.435 551 F CB 0.089 39.112 39.000 0.038 0.000 1.078 551 F HN 0.292 nan 8.300 nan 0.000 0.546 552 E N -0.162 120.175 120.200 0.228 0.000 2.140 552 E HA -0.115 4.239 4.350 0.006 0.000 0.191 552 E C 2.076 178.778 176.600 0.170 0.000 0.973 552 E CA 0.376 56.879 56.400 0.171 0.000 0.829 552 E CB -0.166 29.616 29.700 0.137 0.000 0.781 552 E HN 0.246 nan 8.360 nan 0.000 0.466 553 L N 1.788 123.114 121.223 0.171 0.000 2.042 553 L HA -0.271 4.073 4.340 0.006 0.000 0.210 553 L C 2.433 179.414 176.870 0.185 0.000 1.076 553 L CA 1.833 56.793 54.840 0.199 0.000 0.749 553 L CB -0.320 41.827 42.059 0.148 0.000 0.893 553 L HN 0.111 nan 8.230 nan 0.000 0.432 554 Q N -0.981 118.902 119.800 0.140 0.000 1.921 554 Q HA -0.249 4.094 4.340 0.006 0.000 0.208 554 Q C 2.051 178.148 176.000 0.163 0.000 0.994 554 Q CA 3.224 59.117 55.803 0.151 0.000 0.857 554 Q CB -0.397 28.400 28.738 0.098 0.000 0.925 554 Q HN 0.671 nan 8.270 nan 0.000 0.421 555 T N 0.062 114.703 114.554 0.144 0.000 2.685 555 T HA -0.229 4.125 4.350 0.006 0.000 0.268 555 T C 1.857 176.632 174.700 0.126 0.000 1.034 555 T CA 1.860 64.034 62.100 0.124 0.000 1.149 555 T CB -0.681 68.255 68.868 0.113 0.000 0.860 555 T HN 0.359 nan 8.240 nan 0.000 0.449 556 I N 0.780 121.437 120.570 0.146 0.000 2.226 556 I HA -0.051 4.123 4.170 0.006 0.000 0.245 556 I C 2.424 178.644 176.117 0.172 0.000 1.100 556 I CA 1.231 62.622 61.300 0.152 0.000 1.374 556 I CB -0.365 37.749 38.000 0.191 0.000 1.057 556 I HN 0.192 nan 8.210 nan 0.000 0.413 557 L N 0.108 121.466 121.223 0.226 0.000 2.478 557 L HA -0.071 4.272 4.340 0.006 0.000 0.223 557 L C 2.549 179.544 176.870 0.209 0.000 1.140 557 L CA 0.606 55.620 54.840 0.290 0.000 0.842 557 L CB -0.350 41.980 42.059 0.453 0.000 0.953 557 L HN 0.186 nan 8.230 nan 0.000 0.452 558 R N 0.115 120.703 120.500 0.147 0.000 2.173 558 R HA -0.060 4.284 4.340 0.006 0.000 0.208 558 R C 2.398 178.743 176.300 0.075 0.000 1.035 558 R CA 0.441 56.591 56.100 0.083 0.000 1.004 558 R CB 0.067 30.412 30.300 0.076 0.000 0.917 558 R HN 0.166 nan 8.270 nan 0.000 0.462 559 R N 0.263 120.816 120.500 0.087 0.000 2.115 559 R HA -0.071 4.273 4.340 0.006 0.000 0.230 559 R C 1.530 177.878 176.300 0.080 0.000 1.111 559 R CA 1.279 57.422 56.100 0.072 0.000 0.976 559 R CB 0.046 30.385 30.300 0.066 0.000 0.870 559 R HN 0.086 nan 8.270 nan 0.000 0.445 560 V N 2.174 122.155 119.914 0.112 0.000 2.278 560 V HA -0.102 4.021 4.120 0.006 0.000 0.231 560 V C 1.590 177.765 176.094 0.135 0.000 1.048 560 V CA 1.343 63.733 62.300 0.151 0.000 1.015 560 V CB -0.520 31.459 31.823 0.260 0.000 0.652 560 V HN 0.253 nan 8.190 nan 0.000 0.466 561 L N -1.180 120.124 121.223 0.134 0.000 2.476 561 L HA 0.587 4.931 4.340 0.006 0.000 0.255 561 L C 1.170 178.046 176.870 0.009 0.000 1.218 561 L CA -0.029 54.846 54.840 0.059 0.000 0.819 561 L CB -0.401 41.664 42.059 0.011 0.000 1.119 561 L HN 0.458 nan 8.230 nan 0.000 0.485 562 A N -0.795 122.017 122.820 -0.013 0.000 3.413 562 A HA -0.288 4.036 4.320 0.006 0.000 0.268 562 A C 1.302 178.890 177.584 0.006 0.000 1.128 562 A CA 1.393 53.421 52.037 -0.015 0.000 1.062 562 A CB -1.595 17.385 19.000 -0.033 0.000 1.121 562 A HN 0.941 nan 8.150 nan 0.000 0.895 563 K N -2.995 117.417 120.400 0.019 0.000 3.445 563 K HA -0.329 3.994 4.320 0.006 0.000 0.316 563 K C 0.657 177.272 176.600 0.025 0.000 1.278 563 K CA 1.795 58.097 56.287 0.026 0.000 0.976 563 K CB -1.236 31.277 32.500 0.021 0.000 1.238 563 K HN 1.590 nan 8.250 nan 0.000 0.430 564 R N -1.777 118.737 120.500 0.022 0.000 3.352 564 R HA -0.126 4.217 4.340 0.006 0.000 0.495 564 R C -0.012 176.301 176.300 0.021 0.000 0.833 564 R CA 1.328 57.442 56.100 0.024 0.000 1.261 564 R CB -1.749 28.567 30.300 0.028 0.000 1.984 564 R HN 0.534 nan 8.270 nan 0.000 0.470 565 Q N 2.299 122.109 119.800 0.018 0.000 2.431 565 Q HA 0.275 4.619 4.340 0.006 0.000 0.249 565 Q C -0.717 175.293 176.000 0.018 0.000 1.025 565 Q CA -0.505 55.309 55.803 0.018 0.000 0.835 565 Q CB 1.052 29.800 28.738 0.017 0.000 1.207 565 Q HN 0.166 nan 8.270 nan 0.000 0.490 566 D N 3.761 124.173 120.400 0.021 0.000 2.443 566 D HA 0.294 4.938 4.640 0.006 0.000 0.239 566 D C -0.395 175.919 176.300 0.023 0.000 1.136 566 D CA 0.317 54.331 54.000 0.022 0.000 0.879 566 D CB 0.381 41.196 40.800 0.026 0.000 1.195 566 D HN 0.682 nan 8.370 nan 0.000 0.443 567 I N 1.589 122.174 120.570 0.025 0.000 2.373 567 I HA -0.078 4.096 4.170 0.006 0.000 0.313 567 I C -0.906 175.230 176.117 0.031 0.000 2.314 567 I CA -0.759 60.558 61.300 0.027 0.000 1.135 567 I CB 0.436 38.451 38.000 0.025 0.000 1.990 567 I HN 0.554 nan 8.210 nan 0.000 0.589 568 K N 3.308 123.730 120.400 0.038 0.000 3.241 568 K HA -0.107 4.217 4.320 0.006 0.000 0.270 568 K C 0.037 176.664 176.600 0.046 0.000 1.118 568 K CA 1.105 57.420 56.287 0.048 0.000 0.792 568 K CB -1.311 31.220 32.500 0.051 0.000 1.283 568 K HN 0.875 nan 8.250 nan 0.000 0.480 569 S N 0.497 116.222 115.700 0.041 0.000 3.371 569 S HA -0.201 4.273 4.470 0.006 0.000 0.353 569 S C -0.317 174.289 174.600 0.011 0.000 0.849 569 S CA 0.936 59.157 58.200 0.035 0.000 1.356 569 S CB -0.282 62.947 63.200 0.049 0.000 1.217 569 S HN 0.335 nan 8.310 nan 0.000 0.559 570 D N 1.989 122.391 120.400 0.004 0.000 2.249 570 D HA 0.642 5.285 4.640 0.006 0.000 0.246 570 D C 0.935 177.208 176.300 -0.046 0.000 1.114 570 D CA 1.230 55.218 54.000 -0.020 0.000 0.854 570 D CB 1.065 41.864 40.800 -0.001 0.000 1.132 570 D HN 0.831 nan 8.370 nan 0.000 0.461 571 G N 1.584 110.303 108.800 -0.135 0.000 2.513 571 G HA2 -0.157 3.807 3.960 0.006 0.000 0.227 571 G HA3 -0.157 3.807 3.960 0.006 0.000 0.227 571 G C -0.963 173.716 174.900 -0.368 0.000 1.176 571 G CA -0.712 44.274 45.100 -0.190 0.000 0.967 571 G HN 0.352 nan 8.290 nan 0.000 0.587 572 F N 1.839 121.814 119.950 0.043 0.000 2.585 572 F HA 0.630 5.161 4.527 0.007 0.000 0.319 572 F C 0.965 176.759 175.800 -0.010 0.000 1.165 572 F CA -0.215 57.785 58.000 -0.000 0.000 0.949 572 F CB 1.996 40.989 39.000 -0.012 0.000 1.218 572 F HN 0.863 nan 8.300 nan 0.000 0.453 573 S N 2.181 117.996 115.700 0.191 0.000 2.569 573 S HA 0.056 4.530 4.470 0.006 0.000 0.274 573 S C 1.235 175.857 174.600 0.038 0.000 1.353 573 S CA -0.539 57.715 58.200 0.090 0.000 1.023 573 S CB 0.686 63.926 63.200 0.067 0.000 0.876 573 S HN 0.656 nan 8.310 nan 0.000 0.540 574 I N 0.949 121.508 120.570 -0.018 0.000 2.361 574 I HA -0.082 4.092 4.170 0.006 0.000 0.251 574 I C 2.000 178.032 176.117 -0.142 0.000 1.133 574 I CA 1.583 62.804 61.300 -0.131 0.000 1.413 574 I CB -0.657 37.222 38.000 -0.201 0.000 1.073 574 I HN 0.741 nan 8.210 nan 0.000 0.424 575 E N -0.020 120.134 120.200 -0.077 0.000 2.110 575 E HA -0.171 4.182 4.350 0.006 0.000 0.193 575 E C 2.216 178.767 176.600 -0.083 0.000 0.988 575 E CA 1.826 58.185 56.400 -0.068 0.000 0.804 575 E CB -0.745 28.941 29.700 -0.023 0.000 0.745 575 E HN 0.449 nan 8.360 nan 0.000 0.458 576 T N -0.178 114.330 114.554 -0.076 0.000 2.674 576 T HA -0.163 4.191 4.350 0.006 0.000 0.265 576 T C 2.011 176.594 174.700 -0.195 0.000 1.039 576 T CA 1.378 63.395 62.100 -0.139 0.000 1.150 576 T CB -0.539 68.262 68.868 -0.111 0.000 0.864 576 T HN 0.288 nan 8.240 nan 0.000 0.427 577 C N 1.384 120.588 119.300 -0.160 0.000 2.425 577 C HA 0.012 4.475 4.460 0.006 0.000 0.277 577 C C 2.679 177.576 174.990 -0.156 0.000 1.280 577 C CA 0.396 59.316 59.018 -0.162 0.000 1.744 577 C CB -0.756 26.913 27.740 -0.118 0.000 1.989 577 C HN 0.550 nan 8.230 nan 0.000 0.491 578 K N 0.127 120.425 120.400 -0.169 0.000 2.283 578 K HA -0.037 4.287 4.320 0.006 0.000 0.202 578 K C 1.828 178.367 176.600 -0.100 0.000 1.048 578 K CA 0.728 56.930 56.287 -0.142 0.000 0.948 578 K CB -0.121 32.287 32.500 -0.153 0.000 0.742 578 K HN 0.388 nan 8.250 nan 0.000 0.458 579 I N 1.103 121.606 120.570 -0.113 0.000 2.400 579 I HA -0.114 4.060 4.170 0.006 0.000 0.248 579 I C 1.890 177.940 176.117 -0.113 0.000 1.109 579 I CA 1.253 62.492 61.300 -0.102 0.000 1.425 579 I CB -0.307 37.624 38.000 -0.116 0.000 1.094 579 I HN 0.192 nan 8.210 nan 0.000 0.425 580 M N -0.778 118.731 119.600 -0.153 0.000 2.460 580 M HA -0.128 4.356 4.480 0.006 0.000 0.263 580 M C 1.995 178.231 176.300 -0.106 0.000 1.071 580 M CA 0.937 56.139 55.300 -0.162 0.000 1.096 580 M CB -0.128 32.333 32.600 -0.231 0.000 1.408 580 M HN 0.006 nan 8.290 nan 0.000 0.463 581 V N -0.332 119.537 119.914 -0.074 0.000 2.426 581 V HA -0.161 3.963 4.120 0.006 0.000 0.242 581 V C 1.664 177.745 176.094 -0.022 0.000 1.036 581 V CA 1.430 63.712 62.300 -0.031 0.000 1.044 581 V CB -0.462 31.352 31.823 -0.015 0.000 0.688 581 V HN 0.328 nan 8.190 nan 0.000 0.462 582 D N -0.093 120.292 120.400 -0.026 0.000 2.221 582 D HA -0.219 4.425 4.640 0.006 0.000 0.204 582 D C 1.955 178.256 176.300 0.002 0.000 0.982 582 D CA 1.413 55.410 54.000 -0.005 0.000 0.857 582 D CB -0.158 40.638 40.800 -0.006 0.000 0.934 582 D HN 0.378 nan 8.370 nan 0.000 0.475 583 M N -0.288 119.298 119.600 -0.024 0.000 2.476 583 M HA -0.038 4.446 4.480 0.006 0.000 0.262 583 M C 1.147 177.426 176.300 -0.035 0.000 1.079 583 M CA 1.029 56.316 55.300 -0.022 0.000 1.104 583 M CB 0.299 32.869 32.600 -0.051 0.000 1.409 583 M HN -0.042 nan 8.290 nan 0.000 0.467 584 L N -1.992 119.207 121.223 -0.040 0.000 2.803 584 L HA 0.230 4.574 4.340 0.006 0.000 0.246 584 L C 0.140 177.013 176.870 0.005 0.000 1.100 584 L CA -0.310 54.505 54.840 -0.041 0.000 0.919 584 L CB 0.194 42.203 42.059 -0.085 0.000 1.285 584 L HN -0.046 nan 8.230 nan 0.000 0.522 585 D N 0.514 120.924 120.400 0.016 0.000 2.441 585 D HA 0.028 4.672 4.640 0.006 0.000 0.243 585 D C 0.842 177.165 176.300 0.037 0.000 1.257 585 D CA 0.274 54.293 54.000 0.031 0.000 1.027 585 D CB 0.577 41.395 40.800 0.030 0.000 1.084 585 D HN -0.093 nan 8.370 nan 0.000 0.514 586 S N 2.120 117.846 115.700 0.043 0.000 2.754 586 S HA 0.019 4.493 4.470 0.006 0.000 0.223 586 S C 0.219 174.845 174.600 0.042 0.000 0.951 586 S CA -0.122 58.108 58.200 0.050 0.000 0.954 586 S CB 0.120 63.354 63.200 0.057 0.000 0.780 586 S HN 0.496 nan 8.310 nan 0.000 0.509 587 D N -0.117 120.304 120.400 0.035 0.000 3.165 587 D HA 0.355 4.999 4.640 0.006 0.000 0.264 587 D C 1.256 177.567 176.300 0.019 0.000 1.363 587 D CA 0.696 54.712 54.000 0.027 0.000 1.166 587 D CB -0.316 40.501 40.800 0.028 0.000 1.291 587 D HN 0.272 nan 8.370 nan 0.000 0.390 588 G N 0.182 108.994 108.800 0.021 0.000 2.363 588 G HA2 -0.134 3.829 3.960 0.006 0.000 0.213 588 G HA3 -0.134 3.829 3.960 0.006 0.000 0.213 588 G C 0.911 175.823 174.900 0.020 0.000 1.028 588 G CA 0.584 45.693 45.100 0.015 0.000 0.822 588 G HN 0.260 nan 8.290 nan 0.000 0.536 589 S N -0.338 115.378 115.700 0.028 0.000 2.423 589 S HA 0.316 4.790 4.470 0.006 0.000 0.231 589 S C 2.370 176.995 174.600 0.041 0.000 1.014 589 S CA 1.656 59.876 58.200 0.033 0.000 0.965 589 S CB -0.079 63.144 63.200 0.037 0.000 0.785 589 S HN 2.233 nan 8.310 nan 0.000 0.495 590 G N 1.119 109.946 108.800 0.043 0.000 2.179 590 G HA2 -0.266 3.697 3.960 0.006 0.000 0.260 590 G HA3 -0.266 3.697 3.960 0.006 0.000 0.260 590 G C -0.040 174.902 174.900 0.069 0.000 0.977 590 G CA 0.555 45.687 45.100 0.054 0.000 0.641 590 G HN 0.639 nan 8.290 nan 0.000 0.533 591 K N -0.380 120.061 120.400 0.069 0.000 2.340 591 K HA 0.787 5.111 4.320 0.006 0.000 0.244 591 K C -0.351 176.306 176.600 0.094 0.000 0.973 591 K CA -0.985 55.354 56.287 0.086 0.000 0.828 591 K CB 2.133 34.678 32.500 0.076 0.000 1.226 591 K HN 0.083 nan 8.250 nan 0.000 0.437 592 L N 1.402 122.705 121.223 0.133 0.000 2.317 592 L HA 0.356 4.700 4.340 0.006 0.000 0.281 592 L C 0.955 177.939 176.870 0.190 0.000 1.024 592 L CA -0.519 54.416 54.840 0.158 0.000 0.810 592 L CB 1.629 43.817 42.059 0.216 0.000 1.240 592 L HN 0.895 nan 8.230 nan 0.000 0.427 593 G N 1.516 110.416 108.800 0.166 0.000 2.608 593 G HA2 0.100 4.063 3.960 0.006 0.000 0.212 593 G HA3 0.100 4.063 3.960 0.006 0.000 0.212 593 G C 0.586 175.649 174.900 0.273 0.000 1.572 593 G CA -0.138 45.075 45.100 0.188 0.000 1.064 593 G HN 0.620 nan 8.290 nan 0.000 0.556 594 L N -1.122 120.259 121.223 0.264 0.000 2.467 594 L HA 0.292 4.635 4.340 0.006 0.000 0.213 594 L C 2.770 179.759 176.870 0.197 0.000 1.053 594 L CA 0.451 55.456 54.840 0.275 0.000 0.847 594 L CB -0.108 42.173 42.059 0.369 0.000 1.075 594 L HN 0.485 nan 8.230 nan 0.000 0.479 595 K N 0.241 120.744 120.400 0.171 0.000 2.007 595 K HA -0.083 4.240 4.320 0.006 0.000 0.206 595 K C 0.721 177.395 176.600 0.122 0.000 1.047 595 K CA 1.110 57.493 56.287 0.160 0.000 0.937 595 K CB -0.487 32.089 32.500 0.127 0.000 0.718 595 K HN 0.291 nan 8.250 nan 0.000 0.438 596 E N 0.979 121.232 120.200 0.088 0.000 2.705 596 E HA -0.043 4.310 4.350 0.006 0.000 0.272 596 E C 0.221 176.851 176.600 0.050 0.000 1.528 596 E CA 0.249 56.658 56.400 0.017 0.000 1.750 596 E CB -0.324 29.387 29.700 0.018 0.000 1.439 596 E HN 0.398 nan 8.360 nan 0.000 0.449 597 F N -0.368 119.516 119.950 -0.110 0.000 2.533 597 F HA 0.094 4.624 4.527 0.006 0.000 0.313 597 F C 1.425 177.154 175.800 -0.118 0.000 0.834 597 F CA -0.356 57.530 58.000 -0.190 0.000 1.061 597 F CB 0.045 38.779 39.000 -0.444 0.000 0.915 597 F HN 0.013 nan 8.300 nan 0.000 0.693 598 Y N 1.710 121.933 120.300 -0.128 0.000 2.352 598 Y HA -0.046 4.508 4.550 0.007 0.000 0.292 598 Y C 1.913 177.741 175.900 -0.120 0.000 1.136 598 Y CA 1.424 59.476 58.100 -0.080 0.000 1.227 598 Y CB -0.478 38.005 38.460 0.038 0.000 0.991 598 Y HN 0.099 nan 8.280 nan 0.000 0.545 599 I N -0.277 120.097 120.570 -0.328 0.000 2.179 599 I HA -0.270 3.903 4.170 0.006 0.000 0.242 599 I C 2.364 178.183 176.117 -0.497 0.000 1.088 599 I CA 1.191 62.216 61.300 -0.458 0.000 1.357 599 I CB -1.418 36.319 38.000 -0.437 0.000 1.051 599 I HN 0.341 nan 8.210 nan 0.000 0.409 600 L N 0.450 121.411 121.223 -0.436 0.000 2.017 600 L HA -0.202 4.141 4.340 0.006 0.000 0.208 600 L C 2.509 179.139 176.870 -0.401 0.000 1.073 600 L CA 1.769 56.359 54.840 -0.415 0.000 0.745 600 L CB -0.844 40.983 42.059 -0.386 0.000 0.894 600 L HN 0.369 nan 8.230 nan 0.000 0.432 601 W N -0.034 120.877 121.300 -0.649 0.000 2.318 601 W HA -0.293 4.371 4.660 0.006 0.000 0.313 601 W C 1.968 178.243 176.519 -0.406 0.000 1.221 601 W CA 2.044 59.096 57.345 -0.487 0.000 1.266 601 W CB -0.258 28.947 29.460 -0.425 0.000 1.150 601 W HN 0.179 nan 8.180 nan 0.000 0.496 602 T N 1.018 115.191 114.554 -0.635 0.000 2.701 602 T HA -0.190 4.164 4.350 0.006 0.000 0.263 602 T C 1.699 176.044 174.700 -0.591 0.000 1.040 602 T CA 1.921 63.616 62.100 -0.675 0.000 1.147 602 T CB -0.347 68.072 68.868 -0.749 0.000 0.865 602 T HN 0.114 nan 8.240 nan 0.000 0.426 603 K N 0.595 120.646 120.400 -0.580 0.000 2.211 603 K HA 0.008 4.332 4.320 0.006 0.000 0.204 603 K C 2.141 178.084 176.600 -1.095 0.000 1.047 603 K CA 1.002 56.883 56.287 -0.676 0.000 0.935 603 K CB -0.297 31.865 32.500 -0.564 0.000 0.728 603 K HN 0.370 nan 8.250 nan 0.000 0.452 604 I N 1.166 121.247 120.570 -0.815 0.000 2.252 604 I HA -0.278 3.895 4.170 0.006 0.000 0.245 604 I C 2.250 178.134 176.117 -0.388 0.000 1.102 604 I CA 1.267 62.214 61.300 -0.588 0.000 1.385 604 I CB -0.260 37.575 38.000 -0.275 0.000 1.064 604 I HN 0.209 nan 8.210 nan 0.000 0.414 605 Q N 0.637 120.115 119.800 -0.537 0.000 2.181 605 Q HA -0.251 4.093 4.340 0.006 0.000 0.205 605 Q C 1.833 177.704 176.000 -0.215 0.000 0.980 605 Q CA 1.300 56.858 55.803 -0.409 0.000 0.862 605 Q CB -0.179 28.244 28.738 -0.526 0.000 0.905 605 Q HN 0.344 nan 8.270 nan 0.000 0.429 606 K N -0.587 119.640 120.400 -0.288 0.000 2.546 606 K HA -0.048 4.275 4.320 0.006 0.000 0.198 606 K C 0.207 176.889 176.600 0.135 0.000 1.028 606 K CA 0.252 56.460 56.287 -0.131 0.000 1.150 606 K CB 0.397 32.776 32.500 -0.202 0.000 0.876 606 K HN 0.142 nan 8.250 nan 0.000 0.508 607 Y N -0.544 119.861 120.300 0.174 0.000 2.589 607 Y HA 0.112 4.665 4.550 0.006 0.000 0.271 607 Y C 1.643 177.890 175.900 0.578 0.000 1.107 607 Y CA -0.206 58.165 58.100 0.450 0.000 1.273 607 Y CB 0.004 38.722 38.460 0.431 0.000 1.266 607 Y HN 0.085 nan 8.280 nan 0.000 0.504 608 Q N 0.669 120.732 119.800 0.438 0.000 2.046 608 Q HA -0.157 4.187 4.340 0.006 0.000 0.200 608 Q C 2.045 178.061 176.000 0.026 0.000 0.975 608 Q CA 1.660 57.444 55.803 -0.033 0.000 0.836 608 Q CB -0.114 28.570 28.738 -0.089 0.000 0.896 608 Q HN 0.259 nan 8.270 nan 0.000 0.428 609 K N 1.144 121.587 120.400 0.071 0.000 2.032 609 K HA -0.164 4.159 4.320 0.006 0.000 0.209 609 K C 1.929 178.583 176.600 0.090 0.000 1.048 609 K CA 1.372 57.689 56.287 0.049 0.000 0.927 609 K CB -0.085 32.438 32.500 0.037 0.000 0.712 609 K HN 0.173 nan 8.250 nan 0.000 0.441 610 I N -0.173 120.516 120.570 0.197 0.000 2.546 610 I HA -0.228 3.946 4.170 0.006 0.000 0.255 610 I C 2.045 178.249 176.117 0.145 0.000 1.163 610 I CA 0.786 62.220 61.300 0.224 0.000 1.457 610 I CB -0.211 38.025 38.000 0.394 0.000 1.092 610 I HN 0.237 nan 8.210 nan 0.000 0.434 611 Y N 1.484 121.769 120.300 -0.025 0.000 2.206 611 Y HA -0.050 4.504 4.550 0.006 0.000 0.292 611 Y C 2.631 178.409 175.900 -0.204 0.000 1.123 611 Y CA 1.386 59.326 58.100 -0.266 0.000 1.142 611 Y CB -0.012 38.245 38.460 -0.337 0.000 1.006 611 Y HN -0.104 nan 8.280 nan 0.000 0.518 612 R N 0.316 120.763 120.500 -0.088 0.000 2.193 612 R HA -0.089 4.255 4.340 0.006 0.000 0.213 612 R C 1.822 178.059 176.300 -0.105 0.000 1.055 612 R CA 1.011 57.037 56.100 -0.124 0.000 0.995 612 R CB -0.251 30.003 30.300 -0.076 0.000 0.893 612 R HN 0.406 nan 8.270 nan 0.000 0.459 613 E N 0.139 120.300 120.200 -0.066 0.000 2.409 613 E HA -0.006 4.347 4.350 0.006 0.000 0.198 613 E C 1.508 178.070 176.600 -0.065 0.000 1.024 613 E CA 0.578 56.953 56.400 -0.043 0.000 0.861 613 E CB 0.159 29.856 29.700 -0.005 0.000 0.788 613 E HN 0.256 nan 8.360 nan 0.000 0.521 614 I N -0.790 119.705 120.570 -0.124 0.000 3.132 614 I HA -0.008 4.165 4.170 0.006 0.000 0.255 614 I C 0.354 176.353 176.117 -0.197 0.000 1.118 614 I CA -0.014 61.197 61.300 -0.148 0.000 1.463 614 I CB 0.559 38.441 38.000 -0.197 0.000 1.356 614 I HN -0.077 nan 8.210 nan 0.000 0.463 615 D N 1.737 121.943 120.400 -0.324 0.000 2.508 615 D HA 0.088 4.732 4.640 0.006 0.000 0.224 615 D C -0.269 175.927 176.300 -0.172 0.000 1.171 615 D CA -0.019 53.803 54.000 -0.296 0.000 1.006 615 D CB 0.239 40.748 40.800 -0.485 0.000 1.073 615 D HN -0.119 nan 8.370 nan 0.000 0.513 616 V N 3.253 123.100 119.914 -0.112 0.000 2.324 616 V HA 0.237 4.361 4.120 0.006 0.000 0.244 616 V C 0.010 176.069 176.094 -0.058 0.000 1.144 616 V CA -0.080 62.177 62.300 -0.072 0.000 1.158 616 V CB -0.630 31.162 31.823 -0.051 0.000 1.254 616 V HN 0.502 nan 8.190 nan 0.000 0.492 617 D N 2.022 122.388 120.400 -0.056 0.000 2.245 617 D HA 0.084 4.728 4.640 0.006 0.000 0.125 617 D C 0.101 176.384 176.300 -0.028 0.000 0.978 617 D CA -0.556 53.423 54.000 -0.036 0.000 1.182 617 D CB 0.585 41.366 40.800 -0.032 0.000 3.586 617 D HN 0.325 nan 8.370 nan 0.000 0.632 618 R N 1.684 122.173 120.500 -0.018 0.000 4.750 618 R HA 0.097 4.441 4.340 0.006 0.000 0.163 618 R C 0.727 177.029 176.300 0.004 0.000 2.099 618 R CA 1.021 57.116 56.100 -0.008 0.000 1.621 618 R CB -0.584 29.712 30.300 -0.006 0.000 1.341 618 R HN 0.331 nan 8.270 nan 0.000 0.819 619 S N -1.246 114.459 115.700 0.008 0.000 2.520 619 S HA 0.166 4.640 4.470 0.006 0.000 0.219 619 S C 1.219 175.852 174.600 0.056 0.000 1.028 619 S CA 0.055 58.268 58.200 0.023 0.000 0.921 619 S CB 0.518 63.725 63.200 0.012 0.000 0.844 619 S HN 0.480 nan 8.310 nan 0.000 0.495 620 G N 1.192 110.044 108.800 0.085 0.000 2.350 620 G HA2 -0.167 3.797 3.960 0.006 0.000 0.298 620 G HA3 -0.167 3.797 3.960 0.006 0.000 0.298 620 G C -0.075 174.968 174.900 0.238 0.000 1.037 620 G CA 0.554 45.767 45.100 0.188 0.000 1.074 620 G HN 0.896 nan 8.290 nan 0.000 0.511 621 T N -0.386 114.278 114.554 0.184 0.000 3.172 621 T HA 0.610 4.964 4.350 0.006 0.000 0.320 621 T C -0.336 174.359 174.700 -0.009 0.000 1.085 621 T CA -0.168 62.018 62.100 0.144 0.000 1.052 621 T CB 1.082 69.996 68.868 0.076 0.000 1.107 621 T HN 0.813 nan 8.240 nan 0.000 0.458 622 M N 4.418 124.029 119.600 0.019 0.000 2.528 622 M HA 0.606 5.090 4.480 0.006 0.000 0.321 622 M C -0.625 175.659 176.300 -0.026 0.000 1.153 622 M CA -0.466 54.733 55.300 -0.168 0.000 0.951 622 M CB 1.358 33.734 32.600 -0.373 0.000 1.705 622 M HN 0.602 nan 8.290 nan 0.000 0.451 623 N N 0.997 119.674 118.700 -0.037 0.000 2.408 623 N HA 0.242 4.986 4.740 0.006 0.000 0.260 623 N C 0.282 175.799 175.510 0.011 0.000 1.242 623 N CA -0.355 52.704 53.050 0.014 0.000 0.959 623 N CB 1.096 39.614 38.487 0.051 0.000 1.201 623 N HN 0.675 nan 8.380 nan 0.000 0.511 624 S N -0.438 115.245 115.700 -0.028 0.000 2.329 624 S HA -0.081 4.393 4.470 0.006 0.000 0.215 624 S C 1.427 175.962 174.600 -0.108 0.000 1.031 624 S CA 0.921 59.052 58.200 -0.115 0.000 0.985 624 S CB -0.535 62.487 63.200 -0.297 0.000 0.917 624 S HN 0.575 nan 8.310 nan 0.000 0.441 625 Y N 1.301 121.607 120.300 0.010 0.000 2.332 625 Y HA -0.152 4.401 4.550 0.006 0.000 0.283 625 Y C 2.196 178.119 175.900 0.039 0.000 1.186 625 Y CA 1.342 59.433 58.100 -0.015 0.000 1.266 625 Y CB -0.177 38.270 38.460 -0.023 0.000 0.973 625 Y HN 0.312 nan 8.280 nan 0.000 0.548 626 E N -0.718 119.587 120.200 0.175 0.000 2.463 626 E HA -0.044 4.310 4.350 0.006 0.000 0.191 626 E C 1.678 178.349 176.600 0.119 0.000 1.083 626 E CA 0.087 56.572 56.400 0.142 0.000 0.872 626 E CB -0.027 29.711 29.700 0.064 0.000 0.966 626 E HN 0.297 nan 8.360 nan 0.000 0.491 627 M N -0.770 118.904 119.600 0.124 0.000 2.299 627 M HA 0.045 4.528 4.480 0.006 0.000 0.264 627 M C 2.098 178.523 176.300 0.208 0.000 1.095 627 M CA 1.064 56.468 55.300 0.172 0.000 1.165 627 M CB -0.637 32.066 32.600 0.171 0.000 1.349 627 M HN 0.098 nan 8.290 nan 0.000 0.446 628 R N 1.447 122.024 120.500 0.129 0.000 2.153 628 R HA -0.228 4.116 4.340 0.006 0.000 0.252 628 R C 2.060 178.498 176.300 0.230 0.000 1.158 628 R CA 2.314 58.461 56.100 0.078 0.000 0.975 628 R CB -0.146 30.036 30.300 -0.196 0.000 0.871 628 R HN 0.475 nan 8.270 nan 0.000 0.450 629 K N -1.433 119.111 120.400 0.241 0.000 2.314 629 K HA 0.115 4.438 4.320 0.006 0.000 0.198 629 K C 1.783 178.498 176.600 0.192 0.000 1.045 629 K CA 0.953 57.372 56.287 0.220 0.000 0.988 629 K CB 0.121 32.746 32.500 0.208 0.000 0.783 629 K HN 0.159 nan 8.250 nan 0.000 0.484 630 A N 1.656 124.602 122.820 0.210 0.000 1.970 630 A HA 0.117 4.441 4.320 0.006 0.000 0.216 630 A C 2.029 179.809 177.584 0.327 0.000 1.170 630 A CA 0.483 52.673 52.037 0.255 0.000 0.645 630 A CB -0.359 18.794 19.000 0.255 0.000 0.816 630 A HN 0.253 nan 8.150 nan 0.000 0.447 631 L N -0.560 120.844 121.223 0.303 0.000 2.492 631 L HA -0.049 4.294 4.340 0.006 0.000 0.223 631 L C 2.407 179.424 176.870 0.244 0.000 1.132 631 L CA 0.952 55.963 54.840 0.285 0.000 0.850 631 L CB -0.139 42.091 42.059 0.285 0.000 0.966 631 L HN 0.620 nan 8.230 nan 0.000 0.454 632 E N 1.379 121.708 120.200 0.215 0.000 2.008 632 E HA -0.213 4.140 4.350 0.006 0.000 0.191 632 E C 1.190 177.853 176.600 0.104 0.000 0.986 632 E CA 1.198 57.693 56.400 0.159 0.000 0.807 632 E CB 0.015 29.808 29.700 0.155 0.000 0.766 632 E HN 0.572 nan 8.360 nan 0.000 0.450 633 E N -0.229 120.040 120.200 0.114 0.000 2.405 633 E HA 0.033 4.386 4.350 0.006 0.000 0.194 633 E C 0.686 177.344 176.600 0.097 0.000 1.149 633 E CA 0.362 56.815 56.400 0.087 0.000 0.933 633 E CB 0.465 30.221 29.700 0.094 0.000 1.028 633 E HN 0.247 nan 8.360 nan 0.000 0.487 634 A N 0.426 123.299 122.820 0.090 0.000 2.508 634 A HA 0.532 4.856 4.320 0.006 0.000 0.250 634 A C 1.609 179.092 177.584 -0.168 0.000 1.208 634 A CA 0.263 52.341 52.037 0.069 0.000 0.960 634 A CB 0.503 19.605 19.000 0.170 0.000 1.099 634 A HN 0.422 nan 8.150 nan 0.000 0.542 635 G N -1.180 107.496 108.800 -0.206 0.000 2.254 635 G HA2 -0.217 3.747 3.960 0.006 0.000 0.225 635 G HA3 -0.217 3.747 3.960 0.006 0.000 0.225 635 G C -0.033 174.568 174.900 -0.497 0.000 1.003 635 G CA 0.173 45.012 45.100 -0.436 0.000 0.622 635 G HN 0.429 nan 8.290 nan 0.000 0.507 636 F N 1.217 121.107 119.950 -0.101 0.000 2.458 636 F HA 0.822 5.352 4.527 0.004 0.000 0.330 636 F C 0.645 176.444 175.800 -0.002 0.000 1.082 636 F CA -0.633 57.294 58.000 -0.122 0.000 0.995 636 F CB 1.755 40.671 39.000 -0.141 0.000 1.170 636 F HN -0.068 nan 8.300 nan 0.000 0.478 637 K N 1.766 122.299 120.400 0.222 0.000 2.433 637 K HA 0.875 5.199 4.320 0.006 0.000 0.252 637 K C -1.246 175.432 176.600 0.130 0.000 1.015 637 K CA -0.997 55.402 56.287 0.186 0.000 0.860 637 K CB 2.846 35.433 32.500 0.145 0.000 1.359 637 K HN 0.665 nan 8.250 nan 0.000 0.452 638 M N 0.513 120.157 119.600 0.074 0.000 2.790 638 M HA 0.295 4.779 4.480 0.006 0.000 0.272 638 M C -2.734 173.552 176.300 -0.023 0.000 1.168 638 M CA -1.506 53.749 55.300 -0.074 0.000 0.829 638 M CB 2.520 34.897 32.600 -0.371 0.000 1.675 638 M HN 0.319 nan 8.290 nan 0.000 0.505 639 P HA 0.294 nan 4.420 nan 0.000 0.279 639 P C -0.049 177.268 177.300 0.028 0.000 1.276 639 P CA -0.621 62.475 63.100 -0.007 0.000 0.801 639 P CB 0.568 32.243 31.700 -0.042 0.000 1.127 640 C N -1.138 118.175 119.300 0.020 0.000 2.413 640 C HA -0.139 4.324 4.460 0.006 0.000 0.276 640 C C 2.682 177.683 174.990 0.018 0.000 1.248 640 C CA 0.758 59.797 59.018 0.035 0.000 1.742 640 C CB -1.405 26.317 27.740 -0.030 0.000 2.017 640 C HN 0.570 nan 8.230 nan 0.000 0.481 641 Q N 0.460 120.241 119.800 -0.032 0.000 2.014 641 Q HA -0.185 4.159 4.340 0.006 0.000 0.207 641 Q C 2.195 178.163 176.000 -0.054 0.000 0.993 641 Q CA 1.715 57.489 55.803 -0.048 0.000 0.850 641 Q CB -0.693 28.004 28.738 -0.069 0.000 0.916 641 Q HN 0.616 nan 8.270 nan 0.000 0.417 642 L N 0.221 121.384 121.223 -0.100 0.000 2.127 642 L HA -0.211 4.132 4.340 0.006 0.000 0.211 642 L C 2.391 179.173 176.870 -0.146 0.000 1.089 642 L CA 1.402 56.154 54.840 -0.146 0.000 0.757 642 L CB -0.562 41.373 42.059 -0.208 0.000 0.899 642 L HN 0.333 nan 8.230 nan 0.000 0.434 643 H N -0.852 118.201 119.070 -0.028 0.000 2.389 643 H HA -0.106 4.455 4.556 0.008 0.000 0.299 643 H C 2.222 177.540 175.328 -0.018 0.000 1.081 643 H CA 1.345 57.381 56.048 -0.019 0.000 1.345 643 H CB 0.047 29.781 29.762 -0.046 0.000 1.393 643 H HN 0.500 nan 8.280 nan 0.000 0.520 644 Q N 0.301 120.150 119.800 0.082 0.000 2.084 644 Q HA -0.115 4.229 4.340 0.006 0.000 0.202 644 Q C 2.613 178.622 176.000 0.015 0.000 0.978 644 Q CA 1.905 57.729 55.803 0.035 0.000 0.844 644 Q CB -0.033 28.714 28.738 0.014 0.000 0.898 644 Q HN 0.400 nan 8.270 nan 0.000 0.426 645 V N -1.586 118.329 119.914 0.001 0.000 2.358 645 V HA -0.206 3.918 4.120 0.006 0.000 0.246 645 V C 1.984 178.096 176.094 0.031 0.000 1.047 645 V CA 1.345 63.638 62.300 -0.012 0.000 1.035 645 V CB -0.619 31.186 31.823 -0.031 0.000 0.658 645 V HN 0.275 nan 8.190 nan 0.000 0.452 646 I N 0.349 120.984 120.570 0.108 0.000 2.118 646 I HA -0.221 3.952 4.170 0.006 0.000 0.241 646 I C 2.622 178.918 176.117 0.298 0.000 1.070 646 I CA 2.180 63.658 61.300 0.297 0.000 1.327 646 I CB -0.404 37.709 38.000 0.187 0.000 1.034 646 I HN 0.237 nan 8.210 nan 0.000 0.405 647 V N 0.821 120.823 119.914 0.146 0.000 2.407 647 V HA -0.247 3.877 4.120 0.006 0.000 0.248 647 V C 2.438 178.550 176.094 0.030 0.000 1.055 647 V CA 1.863 64.213 62.300 0.084 0.000 1.049 647 V CB -0.921 30.901 31.823 -0.001 0.000 0.662 647 V HN 0.525 nan 8.190 nan 0.000 0.455 648 A N -0.631 122.185 122.820 -0.007 0.000 2.239 648 A HA -0.069 4.254 4.320 0.006 0.000 0.209 648 A C 2.216 179.724 177.584 -0.128 0.000 1.171 648 A CA 1.349 53.355 52.037 -0.052 0.000 0.768 648 A CB -0.303 18.668 19.000 -0.048 0.000 0.790 648 A HN 0.429 nan 8.150 nan 0.000 0.478 649 R N -2.065 118.307 120.500 -0.214 0.000 2.310 649 R HA 0.313 4.657 4.340 0.006 0.000 0.199 649 R C 0.347 176.212 176.300 -0.724 0.000 0.891 649 R CA 0.890 56.654 56.100 -0.562 0.000 1.060 649 R CB -0.089 29.660 30.300 -0.918 0.000 1.188 649 R HN 0.396 nan 8.270 nan 0.000 0.607 650 F N -0.298 119.648 119.950 -0.007 0.000 2.706 650 F HA 0.568 5.098 4.527 0.004 0.000 0.313 650 F C 0.608 176.423 175.800 0.026 0.000 1.096 650 F CA -0.298 57.708 58.000 0.009 0.000 1.219 650 F CB 0.311 39.320 39.000 0.015 0.000 1.051 650 F HN -0.057 nan 8.300 nan 0.000 0.568 651 A N 0.291 123.194 122.820 0.138 0.000 2.279 651 A HA 0.403 4.726 4.320 0.006 0.000 0.303 651 A C -0.525 177.090 177.584 0.052 0.000 1.108 651 A CA -0.369 51.724 52.037 0.094 0.000 0.830 651 A CB 0.280 19.308 19.000 0.047 0.000 1.106 651 A HN 0.220 nan 8.150 nan 0.000 0.493 652 D N -0.907 119.525 120.400 0.053 0.000 2.433 652 D HA 0.226 4.870 4.640 0.006 0.000 0.255 652 D C 0.193 176.507 176.300 0.022 0.000 1.226 652 D CA -0.141 53.883 54.000 0.040 0.000 1.015 652 D CB 0.641 41.471 40.800 0.050 0.000 1.091 652 D HN 0.422 nan 8.370 nan 0.000 0.527 653 D N -0.236 120.176 120.400 0.020 0.000 2.355 653 D HA -0.038 4.605 4.640 0.006 0.000 0.218 653 D C 0.680 176.990 176.300 0.018 0.000 1.004 653 D CA 0.533 54.541 54.000 0.015 0.000 0.880 653 D CB 0.256 41.065 40.800 0.015 0.000 0.911 653 D HN 0.241 nan 8.370 nan 0.000 0.528 654 Q N -0.112 119.702 119.800 0.023 0.000 2.246 654 Q HA 0.295 4.639 4.340 0.006 0.000 0.202 654 Q C 0.555 176.570 176.000 0.024 0.000 0.883 654 Q CA -0.285 55.534 55.803 0.026 0.000 0.952 654 Q CB 0.009 28.766 28.738 0.031 0.000 1.078 654 Q HN 0.175 nan 8.270 nan 0.000 0.493 655 L N 0.235 121.465 121.223 0.013 0.000 3.608 655 L HA -0.248 4.096 4.340 0.006 0.000 0.422 655 L C -0.781 176.092 176.870 0.005 0.000 1.260 655 L CA 0.222 55.056 54.840 -0.010 0.000 0.889 655 L CB -1.347 40.693 42.059 -0.031 0.000 1.821 655 L HN 0.249 nan 8.230 nan 0.000 0.884 656 I N 0.392 120.984 120.570 0.035 0.000 2.530 656 I HA 0.491 4.665 4.170 0.006 0.000 0.297 656 I C 0.153 176.330 176.117 0.101 0.000 1.011 656 I CA -0.534 60.803 61.300 0.062 0.000 1.107 656 I CB 2.112 40.152 38.000 0.066 0.000 1.285 656 I HN 0.012 nan 8.210 nan 0.000 0.436 657 I N 5.095 125.749 120.570 0.140 0.000 2.439 657 I HA 0.210 4.384 4.170 0.006 0.000 0.283 657 I C -0.674 175.615 176.117 0.287 0.000 1.023 657 I CA -0.829 60.595 61.300 0.206 0.000 1.100 657 I CB 1.385 39.522 38.000 0.229 0.000 1.238 657 I HN 0.553 nan 8.210 nan 0.000 0.445 658 D N 4.934 125.485 120.400 0.252 0.000 2.414 658 D HA 0.016 4.660 4.640 0.006 0.000 0.259 658 D C 1.001 177.386 176.300 0.142 0.000 1.269 658 D CA -0.204 53.961 54.000 0.275 0.000 1.028 658 D CB 0.690 41.593 40.800 0.171 0.000 1.093 658 D HN 0.456 nan 8.370 nan 0.000 0.545 659 F N -0.428 119.283 119.950 -0.398 0.000 2.075 659 F HA -0.208 4.323 4.527 0.007 0.000 0.297 659 F C 2.112 177.866 175.800 -0.077 0.000 1.113 659 F CA 1.781 59.379 58.000 -0.670 0.000 1.218 659 F CB 0.006 38.593 39.000 -0.689 0.000 0.984 659 F HN 0.449 nan 8.300 nan 0.000 0.472 660 D N 0.158 120.538 120.400 -0.033 0.000 2.116 660 D HA -0.278 4.366 4.640 0.006 0.000 0.193 660 D C 1.578 177.868 176.300 -0.016 0.000 0.998 660 D CA 2.250 56.263 54.000 0.022 0.000 0.836 660 D CB -0.346 40.507 40.800 0.088 0.000 0.951 660 D HN 0.289 nan 8.370 nan 0.000 0.449 661 N N -1.425 117.303 118.700 0.047 0.000 2.396 661 N HA -0.031 4.713 4.740 0.006 0.000 0.180 661 N C 1.180 176.625 175.510 -0.107 0.000 1.028 661 N CA 0.475 53.569 53.050 0.074 0.000 0.893 661 N CB -0.237 38.391 38.487 0.234 0.000 0.967 661 N HN 0.255 nan 8.380 nan 0.000 0.440 662 F N 0.952 120.767 119.950 -0.225 0.000 2.259 662 F HA -0.040 4.491 4.527 0.007 0.000 0.298 662 F C 1.925 177.438 175.800 -0.480 0.000 1.088 662 F CA 0.595 58.426 58.000 -0.281 0.000 1.358 662 F CB -0.257 38.699 39.000 -0.074 0.000 1.040 662 F HN -0.057 nan 8.300 nan 0.000 0.505 663 V N -0.538 119.003 119.914 -0.622 0.000 2.346 663 V HA -0.061 4.062 4.120 0.006 0.000 0.244 663 V C 2.494 178.236 176.094 -0.586 0.000 1.037 663 V CA 1.762 63.601 62.300 -0.768 0.000 1.029 663 V CB -1.173 30.284 31.823 -0.610 0.000 0.663 663 V HN 0.335 nan 8.190 nan 0.000 0.454 664 R N -0.278 119.978 120.500 -0.406 0.000 2.096 664 R HA -0.183 4.161 4.340 0.006 0.000 0.235 664 R C 2.454 178.509 176.300 -0.407 0.000 1.127 664 R CA 2.013 57.932 56.100 -0.302 0.000 0.968 664 R CB -0.962 29.269 30.300 -0.116 0.000 0.861 664 R HN 0.717 nan 8.270 nan 0.000 0.440 665 C N 0.431 119.307 119.300 -0.706 0.000 2.413 665 C HA -0.094 4.370 4.460 0.006 0.000 0.276 665 C C 2.452 177.049 174.990 -0.655 0.000 1.236 665 C CA 1.023 59.419 59.018 -1.038 0.000 1.735 665 C CB -1.031 25.817 27.740 -1.487 0.000 2.031 665 C HN 0.601 nan 8.230 nan 0.000 0.474 666 L N 0.567 121.380 121.223 -0.684 0.000 2.109 666 L HA -0.057 4.286 4.340 0.006 0.000 0.207 666 L C 2.613 179.309 176.870 -0.291 0.000 1.086 666 L CA 1.196 55.712 54.840 -0.541 0.000 0.760 666 L CB -0.584 40.965 42.059 -0.851 0.000 0.910 666 L HN 0.274 nan 8.230 nan 0.000 0.437 667 V N -0.370 119.367 119.914 -0.294 0.000 2.379 667 V HA -0.205 3.919 4.120 0.006 0.000 0.245 667 V C 2.605 178.629 176.094 -0.116 0.000 1.044 667 V CA 1.567 63.781 62.300 -0.143 0.000 1.036 667 V CB -0.676 31.043 31.823 -0.174 0.000 0.664 667 V HN 0.407 nan 8.190 nan 0.000 0.453 668 R N -0.045 120.359 120.500 -0.160 0.000 2.073 668 R HA -0.176 4.168 4.340 0.006 0.000 0.234 668 R C 2.298 178.543 176.300 -0.091 0.000 1.134 668 R CA 1.776 57.818 56.100 -0.096 0.000 0.952 668 R CB -0.360 29.902 30.300 -0.064 0.000 0.850 668 R HN 0.436 nan 8.270 nan 0.000 0.433 669 L N 1.294 122.414 121.223 -0.172 0.000 2.093 669 L HA -0.110 4.234 4.340 0.006 0.000 0.208 669 L C 2.138 179.007 176.870 -0.003 0.000 1.085 669 L CA 1.850 56.570 54.840 -0.201 0.000 0.755 669 L CB -0.371 41.422 42.059 -0.442 0.000 0.904 669 L HN 0.261 nan 8.230 nan 0.000 0.435 670 E N -1.456 118.771 120.200 0.044 0.000 2.107 670 E HA -0.168 4.186 4.350 0.006 0.000 0.191 670 E C 1.808 178.577 176.600 0.282 0.000 0.982 670 E CA 1.366 57.973 56.400 0.346 0.000 0.809 670 E CB 0.066 29.995 29.700 0.381 0.000 0.756 670 E HN 0.553 nan 8.360 nan 0.000 0.459 671 T N 1.946 116.585 114.554 0.142 0.000 2.652 671 T HA -0.154 4.199 4.350 0.006 0.000 0.267 671 T C 1.737 176.501 174.700 0.108 0.000 1.039 671 T CA 0.965 63.129 62.100 0.106 0.000 1.153 671 T CB -0.119 68.776 68.868 0.045 0.000 0.863 671 T HN 0.111 nan 8.240 nan 0.000 0.428 672 L N 0.094 121.350 121.223 0.054 0.000 2.131 672 L HA 0.056 4.400 4.340 0.006 0.000 0.210 672 L C 2.166 179.045 176.870 0.014 0.000 1.092 672 L CA 1.406 56.227 54.840 -0.031 0.000 0.759 672 L CB -1.759 40.209 42.059 -0.152 0.000 0.903 672 L HN 0.239 nan 8.230 nan 0.000 0.435 673 F N 1.206 121.170 119.950 0.023 0.000 2.134 673 F HA -0.247 4.284 4.527 0.007 0.000 0.299 673 F C 2.421 178.291 175.800 0.117 0.000 1.097 673 F CA 1.620 59.666 58.000 0.077 0.000 1.264 673 F CB -0.335 38.753 39.000 0.146 0.000 1.001 673 F HN 0.178 nan 8.300 nan 0.000 0.479 674 K N 0.719 121.301 120.400 0.304 0.000 2.217 674 K HA -0.068 4.255 4.320 0.006 0.000 0.202 674 K C 1.538 178.219 176.600 0.136 0.000 1.051 674 K CA 1.598 58.007 56.287 0.205 0.000 0.952 674 K CB -0.983 31.628 32.500 0.185 0.000 0.736 674 K HN 0.300 nan 8.250 nan 0.000 0.453 675 I N -0.122 120.500 120.570 0.087 0.000 2.193 675 I HA -0.151 4.023 4.170 0.006 0.000 0.240 675 I C 2.194 178.276 176.117 -0.058 0.000 1.084 675 I CA 1.225 62.500 61.300 -0.041 0.000 1.365 675 I CB -0.273 37.600 38.000 -0.212 0.000 1.064 675 I HN 0.097 nan 8.210 nan 0.000 0.410 676 F N 2.132 122.005 119.950 -0.128 0.000 2.084 676 F HA -0.240 4.279 4.527 -0.012 0.000 0.296 676 F C 2.526 178.310 175.800 -0.026 0.000 1.111 676 F CA 1.776 59.715 58.000 -0.102 0.000 1.224 676 F CB -0.199 38.736 39.000 -0.109 0.000 0.991 676 F HN -0.197 nan 8.300 nan 0.000 0.471 677 K N 0.411 120.998 120.400 0.310 0.000 2.113 677 K HA -0.203 4.120 4.320 0.006 0.000 0.208 677 K C 2.029 178.676 176.600 0.078 0.000 1.047 677 K CA 1.654 58.071 56.287 0.216 0.000 0.928 677 K CB -0.502 32.128 32.500 0.217 0.000 0.716 677 K HN 0.279 nan 8.250 nan 0.000 0.446 678 Q N -0.028 119.805 119.800 0.056 0.000 2.049 678 Q HA -0.021 4.323 4.340 0.006 0.000 0.198 678 Q C 2.192 178.177 176.000 -0.026 0.000 0.971 678 Q CA 1.183 57.002 55.803 0.028 0.000 0.833 678 Q CB -0.236 28.534 28.738 0.054 0.000 0.896 678 Q HN 0.358 nan 8.270 nan 0.000 0.434 679 L N 0.576 121.745 121.223 -0.089 0.000 2.353 679 L HA -0.139 4.204 4.340 0.006 0.000 0.220 679 L C 0.411 177.158 176.870 -0.204 0.000 1.133 679 L CA 0.721 55.473 54.840 -0.146 0.000 0.798 679 L CB -0.054 41.861 42.059 -0.241 0.000 0.922 679 L HN 0.080 nan 8.230 nan 0.000 0.445 680 D N -1.410 118.860 120.400 -0.216 0.000 2.517 680 D HA 0.182 4.826 4.640 0.006 0.000 0.301 680 D C -1.787 174.485 176.300 -0.046 0.000 1.202 680 D CA -1.736 52.157 54.000 -0.178 0.000 0.910 680 D CB 0.902 41.521 40.800 -0.302 0.000 1.021 680 D HN -0.093 nan 8.370 nan 0.000 0.499 681 P HA -0.030 nan 4.420 nan 0.000 0.217 681 P C 0.811 178.114 177.300 0.006 0.000 1.154 681 P CA 0.723 63.824 63.100 0.001 0.000 0.841 681 P CB 0.423 32.123 31.700 -0.001 0.000 0.788 682 E N -1.066 119.131 120.200 -0.004 0.000 2.472 682 E HA -0.105 4.249 4.350 0.006 0.000 0.200 682 E C 0.084 176.692 176.600 0.013 0.000 1.046 682 E CA 0.179 56.581 56.400 0.002 0.000 0.871 682 E CB -0.957 28.740 29.700 -0.005 0.000 0.806 682 E HN 0.092 nan 8.360 nan 0.000 0.533 683 N N -0.028 118.686 118.700 0.023 0.000 2.671 683 N HA -0.184 4.559 4.740 0.006 0.000 0.261 683 N C 0.436 175.975 175.510 0.048 0.000 1.053 683 N CA 0.956 54.037 53.050 0.052 0.000 0.732 683 N CB -1.047 37.470 38.487 0.050 0.000 0.887 683 N HN 0.312 nan 8.380 nan 0.000 0.546 684 T N -2.865 111.713 114.554 0.041 0.000 3.057 684 T HA 0.378 4.731 4.350 0.006 0.000 0.254 684 T C 1.616 176.358 174.700 0.070 0.000 1.094 684 T CA 1.075 63.196 62.100 0.036 0.000 1.088 684 T CB 0.312 69.184 68.868 0.007 0.000 0.934 684 T HN 1.183 nan 8.240 nan 0.000 0.497 685 G N 1.179 110.059 108.800 0.133 0.000 2.176 685 G HA2 -0.156 3.808 3.960 0.006 0.000 0.232 685 G HA3 -0.156 3.808 3.960 0.006 0.000 0.232 685 G C 0.270 175.383 174.900 0.355 0.000 0.986 685 G CA 0.442 45.673 45.100 0.219 0.000 0.643 685 G HN 1.330 nan 8.290 nan 0.000 0.522 686 T N -1.341 113.341 114.554 0.214 0.000 2.883 686 T HA 0.774 5.128 4.350 0.006 0.000 0.296 686 T C -0.364 174.232 174.700 -0.175 0.000 1.117 686 T CA -0.335 61.865 62.100 0.167 0.000 1.006 686 T CB 2.695 71.608 68.868 0.075 0.000 1.191 686 T HN 1.475 nan 8.240 nan 0.000 0.508 687 I N -1.364 119.075 120.570 -0.219 0.000 2.730 687 I HA 0.821 4.994 4.170 0.006 0.000 0.298 687 I C -1.165 174.880 176.117 -0.120 0.000 1.089 687 I CA -1.366 59.751 61.300 -0.306 0.000 1.041 687 I CB 2.301 39.975 38.000 -0.542 0.000 1.235 687 I HN 0.619 nan 8.210 nan 0.000 0.423 688 E N 5.919 126.067 120.200 -0.087 0.000 2.204 688 E HA 0.824 5.178 4.350 0.006 0.000 0.276 688 E C -1.235 175.371 176.600 0.010 0.000 0.974 688 E CA -0.610 55.769 56.400 -0.035 0.000 0.815 688 E CB 2.293 31.977 29.700 -0.026 0.000 1.119 688 E HN 0.523 nan 8.360 nan 0.000 0.393 689 L N 2.207 123.449 121.223 0.031 0.000 2.565 689 L HA 0.296 4.640 4.340 0.006 0.000 0.261 689 L C -0.837 176.084 176.870 0.086 0.000 0.932 689 L CA -1.122 53.780 54.840 0.103 0.000 0.878 689 L CB 1.767 43.948 42.059 0.203 0.000 1.333 689 L HN 0.635 nan 8.230 nan 0.000 0.409 690 D N 1.809 122.269 120.400 0.099 0.000 2.411 690 D HA 0.123 4.767 4.640 0.006 0.000 0.251 690 D C 0.987 177.369 176.300 0.137 0.000 1.201 690 D CA -0.699 53.349 54.000 0.080 0.000 0.996 690 D CB 1.841 42.675 40.800 0.057 0.000 1.101 690 D HN 0.306 nan 8.370 nan 0.000 0.504 691 L N 0.508 121.801 121.223 0.117 0.000 1.990 691 L HA -0.205 4.138 4.340 0.006 0.000 0.213 691 L C 2.353 179.330 176.870 0.178 0.000 1.072 691 L CA 1.534 56.479 54.840 0.175 0.000 0.755 691 L CB -0.794 41.333 42.059 0.113 0.000 0.889 691 L HN 0.556 nan 8.230 nan 0.000 0.432 692 I N -1.556 119.070 120.570 0.094 0.000 2.113 692 I HA -0.405 3.769 4.170 0.006 0.000 0.242 692 I C 2.680 178.817 176.117 0.033 0.000 1.064 692 I CA 1.784 63.109 61.300 0.042 0.000 1.320 692 I CB -0.836 37.171 38.000 0.011 0.000 1.028 692 I HN 0.318 nan 8.210 nan 0.000 0.406 693 S N 0.331 116.072 115.700 0.068 0.000 2.365 693 S HA -0.265 4.208 4.470 0.006 0.000 0.225 693 S C 1.870 176.590 174.600 0.201 0.000 1.039 693 S CA 1.610 59.850 58.200 0.067 0.000 1.033 693 S CB -0.527 62.771 63.200 0.164 0.000 0.887 693 S HN 0.631 nan 8.310 nan 0.000 0.447 694 W N 1.592 122.952 121.300 0.100 0.000 2.363 694 W HA -0.123 4.546 4.660 0.014 0.000 0.296 694 W C 1.505 178.081 176.519 0.094 0.000 1.212 694 W CA 0.914 58.342 57.345 0.138 0.000 1.260 694 W CB -0.238 29.270 29.460 0.082 0.000 1.131 694 W HN 0.341 nan 8.180 nan 0.000 0.530 695 L N 0.102 121.316 121.223 -0.016 0.000 2.023 695 L HA -0.253 4.091 4.340 0.006 0.000 0.205 695 L C 2.722 179.473 176.870 -0.198 0.000 1.073 695 L CA 1.397 56.137 54.840 -0.168 0.000 0.745 695 L CB -1.490 40.535 42.059 -0.057 0.000 0.900 695 L HN -0.063 nan 8.230 nan 0.000 0.435 696 C N -0.226 118.958 119.300 -0.193 0.000 2.401 696 C HA -0.220 4.244 4.460 0.006 0.000 0.276 696 C C 2.710 177.519 174.990 -0.301 0.000 1.233 696 C CA 0.916 59.762 59.018 -0.287 0.000 1.753 696 C CB -0.946 26.538 27.740 -0.425 0.000 2.029 696 C HN 0.409 nan 8.230 nan 0.000 0.478 697 F N 1.661 121.526 119.950 -0.141 0.000 2.270 697 F HA -0.034 4.498 4.527 0.008 0.000 0.295 697 F C 2.728 178.314 175.800 -0.357 0.000 1.087 697 F CA 1.452 59.347 58.000 -0.175 0.000 1.365 697 F CB -1.113 37.845 39.000 -0.071 0.000 1.056 697 F HN 0.223 nan 8.300 nan 0.000 0.506 698 S N -0.694 114.711 115.700 -0.492 0.000 2.469 698 S HA -0.090 4.384 4.470 0.006 0.000 0.238 698 S C 1.341 175.712 174.600 -0.383 0.000 0.998 698 S CA 0.810 58.536 58.200 -0.791 0.000 0.957 698 S CB -0.818 61.544 63.200 -1.398 0.000 0.764 698 S HN 0.119 nan 8.310 nan 0.000 0.514 699 V N 2.502 122.268 119.914 -0.246 0.000 2.838 699 V HA 0.444 4.568 4.120 0.006 0.000 0.356 699 V C -0.026 176.012 176.094 -0.094 0.000 1.302 699 V CA -0.708 61.501 62.300 -0.151 0.000 1.495 699 V CB -1.577 30.171 31.823 -0.124 0.000 1.505 699 V HN 0.589 nan 8.190 nan 0.000 0.574 700 L N 0.000 121.172 121.223 -0.085 0.000 2.949 700 L HA 0.000 4.344 4.340 0.006 0.000 0.249 700 L CA 0.000 54.816 54.840 -0.040 0.000 0.813 700 L CB 0.000 42.035 42.059 -0.040 0.000 0.961 700 L HN 0.000 nan 8.230 nan 0.000 0.502