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 2q5q_1_A DATA FIRST_RESID -1 DATA SEQUENCE SHMKLAEALL RALKDRGAQA MFGIPGDFAL PFFKVAEETQ ILPLHTLSHE DATA SEQUENCE PAVGFAADAA ARYSSTLGVA AVTYGAGAFN MVNAVAGAYA EKSPVVVISG DATA SEQUENCE APGTTEGNAG LLLHHQGRTL DTQFQVFKEI TVAQARLDDP AKAPAEIARV DATA SEQUENCE LGAARAQSRP VYLEIPRNMV NAEVEPVGDD PAWPVDRDAL AACADEVLAA DATA SEQUENCE MRSATSPVLM VCVEVRRYGL EAKVAELAQR LGVPVVTTFM GRGLLADAPT DATA SEQUENCE PPLGTYIGVA GDAEITRLVE ESDGLFLLGA ILSDTNFAVS QRKIDLRKTI DATA SEQUENCE HAFDRAVTLG YHTYADIPLA GLVDALLERL PPSDXXXXGK EPHAYPTGLQ DATA SEQUENCE ADGEPIAPMD IARAVNDRVR AGQEPLLIAA DMGDCLFTAM DMIDAGLMAP DATA SEQUENCE GYYAGMGFGV PAGIGAQCVS GGKRILTVVG DGAFQMTGWE LGNCRRLGID DATA SEQUENCE PIVILFNNAS WEMLRTFQPE SAFNDLDDWR FADMAAGMGG DGVRVRTRAE DATA SEQUENCE LKAALDKAFA TRGRFQLIEA MIPRGVLSDT LARFVQG 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 -1 S HA 0.000 nan 4.470 nan 0.000 0.327 -1 S C 0.000 174.472 174.600 -0.213 0.000 1.055 -1 S CA 0.000 58.154 58.200 -0.077 0.000 1.107 -1 S CB 0.000 63.172 63.200 -0.047 0.000 0.593 0 H N 1.409 120.478 119.070 -0.001 0.000 2.754 0 H HA 0.937 5.493 4.556 0.000 0.000 0.352 0 H C 0.436 175.763 175.328 -0.001 0.000 1.213 0 H CA -0.417 55.630 56.048 -0.000 0.000 1.244 0 H CB 1.683 31.445 29.762 -0.000 0.000 1.843 0 H HN 0.996 nan 8.280 nan 0.000 0.587 1 M N -1.463 118.221 119.600 0.140 0.000 2.813 1 M HA 0.527 5.007 4.480 0.000 0.000 0.270 1 M C -1.620 174.718 176.300 0.063 0.000 1.267 1 M CA -1.170 54.173 55.300 0.072 0.000 0.822 1 M CB 2.165 34.787 32.600 0.036 0.000 1.671 1 M HN 0.214 nan 8.290 nan 0.000 0.468 2 K N 0.930 121.353 120.400 0.038 0.000 2.295 2 K HA 0.234 4.554 4.320 0.000 0.000 0.270 2 K C 0.655 177.279 176.600 0.041 0.000 1.011 2 K CA -0.264 56.044 56.287 0.035 0.000 0.953 2 K CB 1.479 33.992 32.500 0.023 0.000 0.956 2 K HN 0.681 nan 8.250 nan 0.000 0.477 3 L N 2.772 124.024 121.223 0.047 0.000 1.990 3 L HA -0.294 4.046 4.340 0.000 0.000 0.213 3 L C 2.201 179.116 176.870 0.075 0.000 1.072 3 L CA 2.094 56.965 54.840 0.052 0.000 0.755 3 L CB -0.348 41.738 42.059 0.045 0.000 0.889 3 L HN 0.896 nan 8.230 nan 0.000 0.432 4 A N -0.782 122.102 122.820 0.107 0.000 1.902 4 A HA -0.297 4.023 4.320 0.000 0.000 0.217 4 A C 2.243 179.871 177.584 0.073 0.000 1.181 4 A CA 1.962 54.107 52.037 0.180 0.000 0.623 4 A CB -0.722 18.396 19.000 0.196 0.000 0.818 4 A HN 0.652 nan 8.150 nan 0.000 0.443 5 E N -0.291 119.919 120.200 0.017 0.000 2.072 5 E HA -0.100 4.250 4.350 0.000 0.000 0.191 5 E C 2.143 178.745 176.600 0.003 0.000 0.985 5 E CA 0.908 57.298 56.400 -0.015 0.000 0.801 5 E CB -0.233 29.456 29.700 -0.018 0.000 0.750 5 E HN 0.551 nan 8.360 nan 0.000 0.452 6 A N 0.989 123.822 122.820 0.021 0.000 1.933 6 A HA -0.166 4.154 4.320 0.000 0.000 0.218 6 A C 2.099 179.697 177.584 0.023 0.000 1.175 6 A CA 1.217 53.265 52.037 0.019 0.000 0.628 6 A CB -0.567 18.447 19.000 0.025 0.000 0.814 6 A HN 0.376 nan 8.150 nan 0.000 0.444 7 L N -0.198 121.051 121.223 0.044 0.000 2.027 7 L HA -0.064 4.276 4.340 0.000 0.000 0.206 7 L C 2.262 179.157 176.870 0.042 0.000 1.074 7 L CA 1.647 56.517 54.840 0.050 0.000 0.745 7 L CB -0.618 41.493 42.059 0.086 0.000 0.898 7 L HN 0.391 nan 8.230 nan 0.000 0.433 8 L N -0.703 120.543 121.223 0.039 0.000 2.042 8 L HA -0.228 4.112 4.340 0.000 0.000 0.210 8 L C 2.796 179.656 176.870 -0.017 0.000 1.076 8 L CA 1.488 56.325 54.840 -0.005 0.000 0.749 8 L CB -0.545 41.473 42.059 -0.069 0.000 0.893 8 L HN 0.259 nan 8.230 nan 0.000 0.432 9 R N -0.255 120.236 120.500 -0.015 0.000 2.092 9 R HA -0.106 4.235 4.340 0.000 0.000 0.231 9 R C 2.418 178.715 176.300 -0.006 0.000 1.119 9 R CA 1.208 57.299 56.100 -0.015 0.000 0.970 9 R CB -0.445 29.847 30.300 -0.013 0.000 0.864 9 R HN 0.355 nan 8.270 nan 0.000 0.440 10 A N 1.142 123.963 122.820 0.003 0.000 1.933 10 A HA -0.110 4.210 4.320 0.000 0.000 0.218 10 A C 2.136 179.724 177.584 0.007 0.000 1.175 10 A CA 1.082 53.124 52.037 0.007 0.000 0.628 10 A CB -0.386 18.621 19.000 0.013 0.000 0.814 10 A HN 0.163 nan 8.150 nan 0.000 0.444 11 L N -0.873 120.354 121.223 0.006 0.000 2.044 11 L HA -0.139 4.201 4.340 0.000 0.000 0.205 11 L C 2.611 179.482 176.870 0.000 0.000 1.075 11 L CA 1.793 56.636 54.840 0.006 0.000 0.747 11 L CB -0.355 41.708 42.059 0.007 0.000 0.903 11 L HN 0.411 nan 8.230 nan 0.000 0.435 12 K N 0.049 120.443 120.400 -0.009 0.000 2.097 12 K HA -0.200 4.120 4.320 0.000 0.000 0.206 12 K C 1.578 178.176 176.600 -0.005 0.000 1.049 12 K CA 1.604 57.883 56.287 -0.012 0.000 0.933 12 K CB 0.021 32.507 32.500 -0.024 0.000 0.717 12 K HN 0.219 nan 8.250 nan 0.000 0.442 13 D N 0.381 120.779 120.400 -0.003 0.000 2.218 13 D HA -0.117 4.523 4.640 0.000 0.000 0.204 13 D C 1.287 177.590 176.300 0.005 0.000 0.976 13 D CA 1.025 55.025 54.000 0.001 0.000 0.853 13 D CB 0.062 40.863 40.800 0.001 0.000 0.939 13 D HN 0.221 nan 8.370 nan 0.000 0.481 14 R N -0.895 119.609 120.500 0.007 0.000 2.359 14 R HA 0.267 4.608 4.340 0.000 0.000 0.231 14 R C 1.158 177.465 176.300 0.011 0.000 0.913 14 R CA 0.462 56.568 56.100 0.009 0.000 1.075 14 R CB 0.681 30.987 30.300 0.011 0.000 1.087 14 R HN 0.138 nan 8.270 nan 0.000 0.515 15 G N 0.157 108.963 108.800 0.011 0.000 2.179 15 G HA2 -0.280 3.680 3.960 0.000 0.000 0.220 15 G HA3 -0.280 3.680 3.960 0.000 0.000 0.220 15 G C 0.280 175.194 174.900 0.023 0.000 0.990 15 G CA -0.179 44.931 45.100 0.017 0.000 0.646 15 G HN 0.468 nan 8.290 nan 0.000 0.517 16 A N -0.026 122.805 122.820 0.019 0.000 2.540 16 A HA 0.555 4.876 4.320 0.000 0.000 0.239 16 A C 1.101 178.692 177.584 0.011 0.000 1.061 16 A CA 1.424 53.475 52.037 0.023 0.000 0.758 16 A CB 0.202 19.209 19.000 0.012 0.000 0.991 16 A HN 0.568 nan 8.150 nan 0.000 0.502 17 Q N 0.338 120.152 119.800 0.023 0.000 2.280 17 Q HA 0.455 4.796 4.340 0.000 0.000 0.228 17 Q C 0.185 176.157 176.000 -0.046 0.000 0.857 17 Q CA 0.673 56.481 55.803 0.009 0.000 0.939 17 Q CB 0.667 29.438 28.738 0.054 0.000 1.114 17 Q HN 0.961 nan 8.270 nan 0.000 0.514 18 A N 0.782 123.548 122.820 -0.091 0.000 2.566 18 A HA 0.686 5.006 4.320 0.000 0.000 0.290 18 A C -2.000 175.396 177.584 -0.314 0.000 1.071 18 A CA -0.689 51.186 52.037 -0.269 0.000 0.658 18 A CB 1.208 20.008 19.000 -0.334 0.000 1.285 18 A HN 0.132 nan 8.150 nan 0.000 0.427 19 M N 1.038 120.353 119.600 -0.475 0.000 2.204 19 M HA 0.723 5.203 4.480 0.000 0.000 0.293 19 M C -2.110 173.934 176.300 -0.427 0.000 0.994 19 M CA -0.349 54.755 55.300 -0.326 0.000 0.925 19 M CB 0.881 33.341 32.600 -0.233 0.000 1.577 19 M HN 0.572 nan 8.290 nan 0.000 0.439 20 F N 2.636 122.606 119.950 0.034 0.000 2.399 20 F HA 0.908 5.436 4.527 0.000 0.000 0.334 20 F C 0.841 176.701 175.800 0.100 0.000 1.097 20 F CA -0.168 57.885 58.000 0.089 0.000 1.076 20 F CB 2.023 41.074 39.000 0.085 0.000 1.162 20 F HN 0.658 nan 8.300 nan 0.000 0.495 21 G N 1.906 110.915 108.800 0.348 0.000 2.466 21 G HA2 0.607 4.567 3.960 0.000 0.000 0.291 21 G HA3 0.607 4.567 3.960 0.000 0.000 0.291 21 G C -2.128 173.051 174.900 0.466 0.000 1.460 21 G CA -0.745 44.611 45.100 0.427 0.000 0.791 21 G HN 0.527 nan 8.290 nan 0.000 0.505 22 I N 2.193 123.008 120.570 0.409 0.000 2.512 22 I HA 0.369 4.540 4.170 0.000 0.000 0.287 22 I C -2.192 173.839 176.117 -0.144 0.000 1.069 22 I CA -2.031 59.350 61.300 0.135 0.000 1.056 22 I CB 3.265 41.334 38.000 0.114 0.000 1.229 22 I HN 0.296 nan 8.210 nan 0.000 0.429 23 P HA 0.432 nan 4.420 nan 0.000 0.277 23 P C -0.433 176.683 177.300 -0.308 0.000 1.271 23 P CA -0.107 62.414 63.100 -0.964 0.000 0.795 23 P CB 1.591 32.621 31.700 -1.116 0.000 1.101 24 G N -0.629 108.064 108.800 -0.178 0.000 2.646 24 G HA2 0.287 4.247 3.960 0.000 0.000 0.291 24 G HA3 0.287 4.247 3.960 0.000 0.000 0.291 24 G C 0.341 175.267 174.900 0.042 0.000 1.445 24 G CA -0.375 44.742 45.100 0.029 0.000 0.814 24 G HN 0.467 nan 8.290 nan 0.000 0.495 25 D N -0.186 120.234 120.400 0.034 0.000 2.133 25 D HA -0.178 4.462 4.640 0.000 0.000 0.195 25 D C 1.640 177.916 176.300 -0.041 0.000 0.997 25 D CA 1.373 55.334 54.000 -0.065 0.000 0.840 25 D CB -0.224 40.472 40.800 -0.173 0.000 0.947 25 D HN 0.234 nan 8.370 nan 0.000 0.452 26 F N 1.372 121.411 119.950 0.149 0.000 2.365 26 F HA 0.135 4.662 4.527 0.000 0.000 0.300 26 F C 2.679 178.540 175.800 0.103 0.000 1.090 26 F CA 0.966 59.023 58.000 0.094 0.000 1.408 26 F CB -0.386 38.657 39.000 0.073 0.000 1.060 26 F HN 0.127 nan 8.300 nan 0.000 0.534 27 A N -0.904 122.095 122.820 0.297 0.000 2.348 27 A HA 0.229 4.549 4.320 0.000 0.000 0.224 27 A C 1.999 179.793 177.584 0.351 0.000 1.227 27 A CA -0.066 52.173 52.037 0.336 0.000 0.885 27 A CB -0.626 18.600 19.000 0.376 0.000 0.933 27 A HN 0.323 nan 8.150 nan 0.000 0.506 28 L N -0.080 121.248 121.223 0.175 0.000 2.012 28 L HA -0.141 4.200 4.340 0.000 0.000 0.210 28 L C -0.474 176.516 176.870 0.199 0.000 1.073 28 L CA 1.714 56.635 54.840 0.135 0.000 0.748 28 L CB -1.350 40.736 42.059 0.045 0.000 0.891 28 L HN 0.215 nan 8.230 nan 0.000 0.431 29 P HA -0.233 nan 4.420 nan 0.000 0.216 29 P C 1.508 178.924 177.300 0.194 0.000 1.150 29 P CA 1.463 64.656 63.100 0.156 0.000 0.837 29 P CB -0.051 31.733 31.700 0.139 0.000 0.786 30 F N -1.141 118.892 119.950 0.138 0.000 2.146 30 F HA -0.114 4.414 4.527 0.000 0.000 0.298 30 F C 1.906 177.763 175.800 0.095 0.000 1.096 30 F CA 1.328 59.387 58.000 0.099 0.000 1.275 30 F CB -0.763 38.294 39.000 0.095 0.000 1.008 30 F HN -0.228 nan 8.300 nan 0.000 0.480 31 F N 1.038 120.990 119.950 0.003 0.000 2.234 31 F HA -0.101 4.427 4.527 0.000 0.000 0.299 31 F C 2.478 178.188 175.800 -0.150 0.000 1.087 31 F CA 1.615 59.553 58.000 -0.104 0.000 1.340 31 F CB -0.780 38.239 39.000 0.031 0.000 1.031 31 F HN -0.046 nan 8.300 nan 0.000 0.500 32 K N 0.308 120.759 120.400 0.085 0.000 2.026 32 K HA -0.139 4.181 4.320 0.000 0.000 0.208 32 K C 2.033 178.586 176.600 -0.079 0.000 1.048 32 K CA 1.542 57.837 56.287 0.013 0.000 0.929 32 K CB -0.344 32.175 32.500 0.031 0.000 0.713 32 K HN 0.092 nan 8.250 nan 0.000 0.439 33 V N 1.389 121.217 119.914 -0.144 0.000 2.343 33 V HA -0.243 3.878 4.120 0.000 0.000 0.247 33 V C 2.469 178.396 176.094 -0.277 0.000 1.051 33 V CA 1.963 64.147 62.300 -0.193 0.000 1.036 33 V CB -0.671 31.026 31.823 -0.210 0.000 0.654 33 V HN 0.535 nan 8.190 nan 0.000 0.451 34 A N -0.393 122.157 122.820 -0.450 0.000 1.883 34 A HA -0.296 4.024 4.320 0.000 0.000 0.217 34 A C 2.292 179.719 177.584 -0.261 0.000 1.186 34 A CA 2.177 53.946 52.037 -0.446 0.000 0.624 34 A CB -0.510 18.099 19.000 -0.652 0.000 0.822 34 A HN 0.646 nan 8.150 nan 0.000 0.444 35 E N -0.216 119.875 120.200 -0.183 0.000 2.047 35 E HA -0.201 4.149 4.350 0.000 0.000 0.191 35 E C 1.915 178.460 176.600 -0.092 0.000 0.987 35 E CA 1.303 57.639 56.400 -0.107 0.000 0.799 35 E CB -0.150 29.527 29.700 -0.038 0.000 0.752 35 E HN 0.741 nan 8.360 nan 0.000 0.449 36 E N -0.360 119.790 120.200 -0.084 0.000 2.152 36 E HA -0.130 4.220 4.350 0.000 0.000 0.192 36 E C 2.186 178.742 176.600 -0.073 0.000 0.983 36 E CA 1.581 57.942 56.400 -0.065 0.000 0.818 36 E CB -0.007 29.663 29.700 -0.050 0.000 0.758 36 E HN 0.439 nan 8.360 nan 0.000 0.467 37 T N -2.795 111.701 114.554 -0.097 0.000 2.978 37 T HA -0.028 4.322 4.350 0.000 0.000 0.262 37 T C 1.597 176.242 174.700 -0.092 0.000 1.063 37 T CA 1.163 63.209 62.100 -0.089 0.000 1.140 37 T CB -0.122 68.684 68.868 -0.102 0.000 0.886 37 T HN 0.236 nan 8.240 nan 0.000 0.470 38 Q N -0.047 119.684 119.800 -0.115 0.000 2.480 38 Q HA -0.225 4.115 4.340 0.000 0.000 0.265 38 Q C 1.220 177.152 176.000 -0.113 0.000 1.072 38 Q CA 1.329 57.062 55.803 -0.116 0.000 1.018 38 Q CB -3.125 25.561 28.738 -0.086 0.000 1.433 38 Q HN 0.849 nan 8.270 nan 0.000 0.513 39 I N -1.141 119.358 120.570 -0.118 0.000 2.226 39 I HA -0.019 4.151 4.170 0.000 0.000 0.245 39 I C 1.285 177.335 176.117 -0.111 0.000 1.100 39 I CA 1.350 62.591 61.300 -0.099 0.000 1.374 39 I CB 0.143 38.086 38.000 -0.094 0.000 1.057 39 I HN 0.564 nan 8.210 nan 0.000 0.413 40 L N 0.784 121.916 121.223 -0.151 0.000 2.362 40 L HA 0.403 4.743 4.340 0.000 0.000 0.275 40 L C -2.444 174.277 176.870 -0.249 0.000 0.998 40 L CA -2.042 52.693 54.840 -0.175 0.000 0.820 40 L CB 1.518 43.473 42.059 -0.173 0.000 1.270 40 L HN -0.264 nan 8.230 nan 0.000 0.415 41 P HA -0.014 nan 4.420 nan 0.000 0.261 41 P C -0.797 176.112 177.300 -0.652 0.000 1.183 41 P CA -0.143 62.709 63.100 -0.414 0.000 0.761 41 P CB 0.457 31.928 31.700 -0.381 0.000 0.785 42 L N 6.070 126.970 121.223 -0.538 0.000 2.257 42 L HA 0.314 4.654 4.340 0.000 0.000 0.290 42 L C -0.638 175.972 176.870 -0.433 0.000 1.044 42 L CA 0.043 54.609 54.840 -0.456 0.000 0.810 42 L CB -0.229 41.680 42.059 -0.249 0.000 1.193 42 L HN 0.384 nan 8.230 nan 0.000 0.425 43 H N 3.332 122.293 119.070 -0.182 0.000 2.587 43 H HA 0.442 4.998 4.556 0.000 0.000 0.325 43 H C -0.168 175.221 175.328 0.102 0.000 1.012 43 H CA -0.438 55.575 56.048 -0.060 0.000 1.213 43 H CB 1.208 30.890 29.762 -0.132 0.000 1.431 43 H HN 0.681 nan 8.280 nan 0.000 0.492 44 T N 1.463 116.168 114.554 0.253 0.000 2.934 44 T HA 0.719 5.069 4.350 0.000 0.000 0.283 44 T C 0.521 175.357 174.700 0.227 0.000 1.005 44 T CA -0.752 61.499 62.100 0.251 0.000 1.041 44 T CB 1.470 70.460 68.868 0.203 0.000 1.042 44 T HN 0.317 nan 8.240 nan 0.000 0.505 45 L N 0.144 121.491 121.223 0.207 0.000 2.171 45 L HA 0.477 4.818 4.340 0.000 0.000 0.253 45 L C 1.393 178.347 176.870 0.141 0.000 1.054 45 L CA -1.097 53.840 54.840 0.161 0.000 0.927 45 L CB 1.619 43.766 42.059 0.147 0.000 1.513 45 L HN 0.730 nan 8.230 nan 0.000 0.471 46 S N -2.552 113.229 115.700 0.134 0.000 2.404 46 S HA 0.060 4.530 4.470 0.000 0.000 0.223 46 S C 0.122 174.832 174.600 0.184 0.000 1.040 46 S CA 0.489 58.769 58.200 0.133 0.000 0.957 46 S CB 0.058 63.331 63.200 0.122 0.000 0.826 46 S HN 0.478 nan 8.310 nan 0.000 0.491 47 H N -0.239 118.873 119.070 0.070 0.000 2.717 47 H HA 0.257 4.813 4.556 0.000 0.000 0.366 47 H C -0.048 175.307 175.328 0.046 0.000 1.132 47 H CA -0.540 55.545 56.048 0.062 0.000 1.180 47 H CB 1.522 31.329 29.762 0.074 0.000 1.678 47 H HN -0.072 nan 8.280 nan 0.000 0.537 48 E N 2.805 123.003 120.200 -0.003 0.000 2.160 48 E HA -0.126 4.224 4.350 0.000 0.000 0.195 48 E C -1.319 175.166 176.600 -0.191 0.000 0.991 48 E CA 1.386 57.739 56.400 -0.077 0.000 0.810 48 E CB -0.774 28.890 29.700 -0.061 0.000 0.742 48 E HN 0.554 nan 8.360 nan 0.000 0.466 49 P HA -0.229 nan 4.420 nan 0.000 0.216 49 P C 1.018 178.096 177.300 -0.369 0.000 1.153 49 P CA 2.091 64.952 63.100 -0.398 0.000 0.858 49 P CB -0.029 31.524 31.700 -0.245 0.000 0.789 50 A N -0.852 121.922 122.820 -0.076 0.000 1.933 50 A HA -0.151 4.169 4.320 0.000 0.000 0.218 50 A C 2.310 179.849 177.584 -0.075 0.000 1.175 50 A CA 1.638 53.685 52.037 0.016 0.000 0.628 50 A CB -1.683 17.343 19.000 0.042 0.000 0.814 50 A HN 0.027 nan 8.150 nan 0.000 0.444 51 V N -0.085 119.798 119.914 -0.053 0.000 2.295 51 V HA -0.206 3.914 4.120 0.000 0.000 0.246 51 V C 2.813 178.853 176.094 -0.090 0.000 1.049 51 V CA 2.049 64.346 62.300 -0.004 0.000 1.024 51 V CB -1.432 30.441 31.823 0.084 0.000 0.648 51 V HN 0.606 nan 8.190 nan 0.000 0.447 52 G N -0.958 107.734 108.800 -0.179 0.000 2.421 52 G HA2 -0.217 3.743 3.960 0.000 0.000 0.216 52 G HA3 -0.217 3.743 3.960 0.000 0.000 0.216 52 G C 1.564 176.348 174.900 -0.194 0.000 1.171 52 G CA 0.761 45.731 45.100 -0.217 0.000 0.775 52 G HN 0.495 nan 8.290 nan 0.000 0.543 53 F N 1.450 121.305 119.950 -0.158 0.000 2.186 53 F HA 0.039 4.566 4.527 0.000 0.000 0.299 53 F C 3.124 178.668 175.800 -0.428 0.000 1.090 53 F CA 0.468 58.302 58.000 -0.276 0.000 1.307 53 F CB 0.031 38.813 39.000 -0.363 0.000 1.019 53 F HN 0.244 nan 8.300 nan 0.000 0.489 54 A N 0.243 122.874 122.820 -0.315 0.000 1.898 54 A HA -0.081 4.239 4.320 0.000 0.000 0.216 54 A C 2.342 179.456 177.584 -0.785 0.000 1.181 54 A CA 1.586 53.195 52.037 -0.714 0.000 0.620 54 A CB -1.123 17.218 19.000 -1.098 0.000 0.819 54 A HN 0.311 nan 8.150 nan 0.000 0.442 55 A N -0.112 122.417 122.820 -0.485 0.000 1.898 55 A HA -0.174 4.146 4.320 0.000 0.000 0.216 55 A C 1.919 179.501 177.584 -0.004 0.000 1.181 55 A CA 1.988 53.983 52.037 -0.070 0.000 0.620 55 A CB -0.572 18.496 19.000 0.113 0.000 0.819 55 A HN 0.515 nan 8.150 nan 0.000 0.442 56 D N 0.326 120.720 120.400 -0.009 0.000 2.104 56 D HA -0.109 4.531 4.640 0.000 0.000 0.194 56 D C 2.097 178.442 176.300 0.075 0.000 0.994 56 D CA 1.824 55.872 54.000 0.080 0.000 0.830 56 D CB -0.340 40.579 40.800 0.198 0.000 0.959 56 D HN 0.306 nan 8.370 nan 0.000 0.452 57 A N 0.798 123.603 122.820 -0.025 0.000 1.908 57 A HA -0.015 4.305 4.320 0.000 0.000 0.218 57 A C 2.458 180.072 177.584 0.050 0.000 1.181 57 A CA 2.653 54.677 52.037 -0.021 0.000 0.627 57 A CB -1.031 17.839 19.000 -0.216 0.000 0.818 57 A HN 0.345 nan 8.150 nan 0.000 0.445 58 A N -0.209 122.627 122.820 0.027 0.000 1.902 58 A HA 0.138 4.458 4.320 0.000 0.000 0.217 58 A C 2.491 180.178 177.584 0.171 0.000 1.181 58 A CA 2.145 54.270 52.037 0.146 0.000 0.623 58 A CB -0.967 18.216 19.000 0.306 0.000 0.818 58 A HN 1.078 nan 8.150 nan 0.000 0.443 59 A N -0.267 122.628 122.820 0.125 0.000 1.930 59 A HA -0.134 4.186 4.320 0.000 0.000 0.217 59 A C 2.251 179.881 177.584 0.077 0.000 1.175 59 A CA 1.414 53.506 52.037 0.091 0.000 0.627 59 A CB -0.416 18.622 19.000 0.063 0.000 0.815 59 A HN 0.560 nan 8.150 nan 0.000 0.443 60 R N -2.314 118.243 120.500 0.095 0.000 2.075 60 R HA -0.107 4.234 4.340 0.000 0.000 0.232 60 R C 2.143 178.494 176.300 0.085 0.000 1.126 60 R CA 1.518 57.663 56.100 0.076 0.000 0.963 60 R CB -0.531 29.833 30.300 0.107 0.000 0.858 60 R HN 0.655 nan 8.270 nan 0.000 0.435 61 Y N 1.219 121.529 120.300 0.017 0.000 2.128 61 Y HA -0.189 4.362 4.550 0.001 0.000 0.284 61 Y C 1.807 177.714 175.900 0.012 0.000 1.154 61 Y CA 1.760 59.869 58.100 0.015 0.000 1.149 61 Y CB 0.166 38.639 38.460 0.022 0.000 0.976 61 Y HN -0.105 nan 8.280 nan 0.000 0.505 62 S N -0.751 115.045 115.700 0.159 0.000 2.557 62 S HA 0.094 4.564 4.470 0.000 0.000 0.223 62 S C 0.468 175.078 174.600 0.017 0.000 0.969 62 S CA 0.534 58.779 58.200 0.074 0.000 0.927 62 S CB -0.021 63.271 63.200 0.152 0.000 0.806 62 S HN 0.382 nan 8.310 nan 0.000 0.489 63 S N 1.602 117.299 115.700 -0.005 0.000 3.559 63 S HA -0.145 4.325 4.470 0.000 0.000 0.369 63 S C 0.128 174.714 174.600 -0.022 0.000 0.987 63 S CA 1.112 59.289 58.200 -0.037 0.000 1.187 63 S CB -1.524 61.646 63.200 -0.050 0.000 0.914 63 S HN 0.715 nan 8.310 nan 0.000 0.480 64 T N -0.720 113.836 114.554 0.003 0.000 2.654 64 T HA 0.658 5.008 4.350 0.000 0.000 0.289 64 T C -0.660 174.051 174.700 0.017 0.000 1.062 64 T CA -0.910 61.196 62.100 0.010 0.000 1.041 64 T CB 0.696 69.582 68.868 0.030 0.000 1.417 64 T HN 0.218 nan 8.240 nan 0.000 0.510 65 L N 1.681 122.918 121.223 0.023 0.000 2.426 65 L HA 0.541 4.881 4.340 0.000 0.000 0.271 65 L C 1.129 178.036 176.870 0.063 0.000 1.169 65 L CA -0.435 54.424 54.840 0.032 0.000 0.836 65 L CB 0.436 42.511 42.059 0.027 0.000 1.112 65 L HN 0.762 nan 8.230 nan 0.000 0.465 66 G N 2.127 110.973 108.800 0.077 0.000 2.417 66 G HA2 0.603 4.564 3.960 0.000 0.000 0.334 66 G HA3 0.603 4.564 3.960 0.000 0.000 0.334 66 G C -1.085 173.887 174.900 0.120 0.000 1.150 66 G CA -0.364 44.812 45.100 0.126 0.000 0.923 66 G HN 0.334 nan 8.290 nan 0.000 0.485 67 V N 0.396 120.412 119.914 0.170 0.000 2.531 67 V HA 0.732 4.852 4.120 0.000 0.000 0.301 67 V C -0.005 176.199 176.094 0.182 0.000 1.034 67 V CA -0.812 61.562 62.300 0.124 0.000 0.865 67 V CB 1.419 33.277 31.823 0.060 0.000 0.995 67 V HN 1.156 nan 8.190 nan 0.000 0.424 68 A N 3.756 126.652 122.820 0.127 0.000 2.340 68 A HA 0.916 5.236 4.320 0.000 0.000 0.297 68 A C -0.144 177.494 177.584 0.091 0.000 1.195 68 A CA -0.282 51.840 52.037 0.142 0.000 0.769 68 A CB 1.242 20.307 19.000 0.107 0.000 1.163 68 A HN 1.334 nan 8.150 nan 0.000 0.472 69 A N 2.327 125.221 122.820 0.123 0.000 2.288 69 A HA 0.793 5.113 4.320 0.000 0.000 0.320 69 A C 0.065 177.836 177.584 0.312 0.000 1.217 69 A CA -0.102 52.011 52.037 0.127 0.000 0.840 69 A CB 0.622 19.624 19.000 0.003 0.000 1.179 69 A HN 2.106 nan 8.150 nan 0.000 0.504 70 V N -0.551 119.504 119.914 0.236 0.000 3.167 70 V HA 0.848 4.968 4.120 0.000 0.000 0.310 70 V C 0.021 176.231 176.094 0.193 0.000 1.207 70 V CA -0.463 61.970 62.300 0.221 0.000 1.059 70 V CB 1.140 33.016 31.823 0.089 0.000 1.079 70 V HN 0.850 nan 8.190 nan 0.000 0.446 71 T N -0.400 114.235 114.554 0.135 0.000 2.912 71 T HA 0.503 4.854 4.350 0.000 0.000 0.280 71 T C -0.838 173.943 174.700 0.136 0.000 0.989 71 T CA -0.182 62.023 62.100 0.176 0.000 0.995 71 T CB 0.743 69.728 68.868 0.194 0.000 1.077 71 T HN 0.806 nan 8.240 nan 0.000 0.531 72 Y N 1.619 121.959 120.300 0.067 0.000 2.712 72 Y HA 0.335 4.885 4.550 0.000 0.000 0.333 72 Y C 1.367 177.200 175.900 -0.111 0.000 1.225 72 Y CA 1.297 59.355 58.100 -0.070 0.000 1.499 72 Y CB -0.274 38.069 38.460 -0.194 0.000 1.288 72 Y HN 0.985 nan 8.280 nan 0.000 0.575 73 G N 4.025 112.429 108.800 -0.661 0.000 4.230 73 G HA2 -0.464 3.496 3.960 0.000 0.000 0.340 73 G HA3 -0.464 3.496 3.960 0.000 0.000 0.340 73 G C 1.422 176.192 174.900 -0.215 0.000 1.315 73 G CA 1.375 46.152 45.100 -0.539 0.000 1.033 73 G HN 1.541 nan 8.290 nan 0.000 0.741 74 A N 0.410 123.026 122.820 -0.339 0.000 1.986 74 A HA 0.200 4.520 4.320 0.000 0.000 0.220 74 A C 2.841 180.365 177.584 -0.100 0.000 1.171 74 A CA 2.877 54.785 52.037 -0.215 0.000 0.640 74 A CB -1.095 17.649 19.000 -0.428 0.000 0.811 74 A HN 1.936 nan 8.150 nan 0.000 0.451 75 G N -1.092 107.628 108.800 -0.134 0.000 2.473 75 G HA2 0.161 4.122 3.960 0.000 0.000 0.212 75 G HA3 0.161 4.122 3.960 0.000 0.000 0.212 75 G C 1.809 176.696 174.900 -0.022 0.000 1.211 75 G CA 1.143 46.222 45.100 -0.034 0.000 0.813 75 G HN 0.776 nan 8.290 nan 0.000 0.541 76 A N 0.545 123.311 122.820 -0.091 0.000 1.892 76 A HA 0.026 4.346 4.320 0.000 0.000 0.218 76 A C 2.160 179.820 177.584 0.126 0.000 1.188 76 A CA 1.646 53.636 52.037 -0.077 0.000 0.631 76 A CB -0.690 18.096 19.000 -0.357 0.000 0.822 76 A HN 0.272 nan 8.150 nan 0.000 0.447 77 F N 0.068 120.073 119.950 0.091 0.000 2.333 77 F HA -0.068 4.459 4.527 0.000 0.000 0.300 77 F C 1.965 177.754 175.800 -0.018 0.000 1.083 77 F CA 1.209 59.233 58.000 0.040 0.000 1.395 77 F CB -0.654 38.330 39.000 -0.028 0.000 1.056 77 F HN 0.253 nan 8.300 nan 0.000 0.529 78 N N -0.448 118.335 118.700 0.139 0.000 2.461 78 N HA -0.038 4.702 4.740 0.000 0.000 0.188 78 N C 1.295 176.766 175.510 -0.066 0.000 1.134 78 N CA 0.454 53.512 53.050 0.013 0.000 0.878 78 N CB -0.166 38.309 38.487 -0.019 0.000 0.972 78 N HN 0.273 nan 8.380 nan 0.000 0.456 79 M N -1.064 118.537 119.600 0.001 0.000 2.306 79 M HA 0.168 4.648 4.480 0.000 0.000 0.292 79 M C 0.720 176.979 176.300 -0.068 0.000 1.018 79 M CA 0.003 55.269 55.300 -0.057 0.000 1.007 79 M CB 0.602 33.213 32.600 0.018 0.000 1.510 79 M HN -0.160 nan 8.290 nan 0.000 0.537 80 V N 1.262 121.130 119.914 -0.076 0.000 2.332 80 V HA -0.301 3.820 4.120 0.000 0.000 0.248 80 V C 1.958 177.925 176.094 -0.212 0.000 1.055 80 V CA 2.343 64.499 62.300 -0.240 0.000 1.038 80 V CB -0.813 30.876 31.823 -0.224 0.000 0.651 80 V HN 0.619 nan 8.190 nan 0.000 0.450 81 N N 0.446 119.059 118.700 -0.145 0.000 2.142 81 N HA -0.121 4.619 4.740 0.000 0.000 0.186 81 N C 1.725 177.133 175.510 -0.170 0.000 1.023 81 N CA 1.707 54.704 53.050 -0.088 0.000 0.852 81 N CB -0.339 38.154 38.487 0.010 0.000 0.998 81 N HN 0.404 nan 8.380 nan 0.000 0.424 82 A N -0.211 122.419 122.820 -0.316 0.000 1.930 82 A HA -0.029 4.291 4.320 0.000 0.000 0.217 82 A C 2.347 179.791 177.584 -0.234 0.000 1.175 82 A CA 1.440 53.196 52.037 -0.469 0.000 0.627 82 A CB -0.700 17.703 19.000 -0.996 0.000 0.815 82 A HN 0.189 nan 8.150 nan 0.000 0.443 83 V N -0.321 119.475 119.914 -0.195 0.000 2.453 83 V HA -0.157 3.963 4.120 0.000 0.000 0.247 83 V C 3.001 179.001 176.094 -0.156 0.000 1.048 83 V CA 1.590 63.827 62.300 -0.105 0.000 1.049 83 V CB -1.057 30.750 31.823 -0.027 0.000 0.672 83 V HN 0.591 nan 8.190 nan 0.000 0.457 84 A N 0.725 123.374 122.820 -0.284 0.000 1.933 84 A HA -0.104 4.216 4.320 0.000 0.000 0.218 84 A C 2.398 179.628 177.584 -0.591 0.000 1.175 84 A CA 1.964 53.784 52.037 -0.362 0.000 0.628 84 A CB -1.122 17.670 19.000 -0.347 0.000 0.814 84 A HN 0.519 nan 8.150 nan 0.000 0.444 85 G N -0.645 107.638 108.800 -0.861 0.000 2.402 85 G HA2 0.042 4.002 3.960 0.000 0.000 0.216 85 G HA3 0.042 4.002 3.960 0.000 0.000 0.216 85 G C 1.721 176.478 174.900 -0.237 0.000 1.162 85 G CA 1.309 45.876 45.100 -0.888 0.000 0.777 85 G HN 0.784 nan 8.290 nan 0.000 0.539 86 A N -0.180 122.591 122.820 -0.082 0.000 1.930 86 A HA 0.005 4.325 4.320 0.000 0.000 0.217 86 A C 2.158 179.765 177.584 0.039 0.000 1.175 86 A CA 1.570 53.622 52.037 0.026 0.000 0.627 86 A CB -0.619 18.412 19.000 0.052 0.000 0.815 86 A HN 0.476 nan 8.150 nan 0.000 0.443 87 Y N 0.527 120.781 120.300 -0.077 0.000 2.145 87 Y HA -0.113 4.437 4.550 0.001 0.000 0.286 87 Y C 2.670 178.596 175.900 0.042 0.000 1.145 87 Y CA 1.549 59.635 58.100 -0.024 0.000 1.148 87 Y CB -0.367 38.062 38.460 -0.051 0.000 0.981 87 Y HN 0.316 nan 8.280 nan 0.000 0.507 88 A N 0.228 123.199 122.820 0.252 0.000 1.902 88 A HA -0.201 4.119 4.320 0.000 0.000 0.217 88 A C 1.749 179.558 177.584 0.375 0.000 1.181 88 A CA 1.967 54.202 52.037 0.330 0.000 0.623 88 A CB -0.585 18.465 19.000 0.082 0.000 0.818 88 A HN 0.659 nan 8.150 nan 0.000 0.443 89 E N -0.288 120.031 120.200 0.198 0.000 2.394 89 E HA 0.133 4.483 4.350 0.000 0.000 0.191 89 E C -0.740 175.909 176.600 0.083 0.000 1.044 89 E CA -0.334 56.175 56.400 0.182 0.000 0.939 89 E CB 0.028 29.787 29.700 0.099 0.000 1.089 89 E HN 0.440 nan 8.360 nan 0.000 0.456 90 K N 0.882 121.298 120.400 0.028 0.000 3.257 90 K HA -0.164 4.156 4.320 0.000 0.000 0.270 90 K C -0.479 176.068 176.600 -0.088 0.000 0.984 90 K CA 0.329 56.572 56.287 -0.075 0.000 0.739 90 K CB -1.646 30.813 32.500 -0.070 0.000 1.351 90 K HN 0.052 nan 8.250 nan 0.000 0.463 91 S N 1.310 116.982 115.700 -0.047 0.000 2.449 91 S HA 0.382 4.853 4.470 0.000 0.000 0.310 91 S C -2.310 172.275 174.600 -0.025 0.000 1.096 91 S CA -1.640 56.544 58.200 -0.027 0.000 1.095 91 S CB 1.132 64.356 63.200 0.038 0.000 1.007 91 S HN 0.094 nan 8.310 nan 0.000 0.474 92 P HA 0.131 nan 4.420 nan 0.000 0.244 92 P C -0.655 176.658 177.300 0.022 0.000 1.769 92 P CA -0.159 62.929 63.100 -0.019 0.000 1.102 92 P CB -0.057 31.617 31.700 -0.044 0.000 1.937 93 V N 4.226 124.166 119.914 0.043 0.000 2.432 93 V HA 0.070 4.190 4.120 0.000 0.000 0.271 93 V C 0.818 176.953 176.094 0.069 0.000 1.046 93 V CA -0.455 61.883 62.300 0.064 0.000 0.945 93 V CB 1.632 33.497 31.823 0.069 0.000 0.992 93 V HN 0.152 nan 8.190 nan 0.000 0.471 94 V N 6.802 126.752 119.914 0.060 0.000 2.389 94 V HA 0.191 4.311 4.120 0.000 0.000 0.264 94 V C 0.212 176.326 176.094 0.032 0.000 1.049 94 V CA -0.328 61.997 62.300 0.041 0.000 0.932 94 V CB 1.286 33.122 31.823 0.023 0.000 1.011 94 V HN 0.608 nan 8.190 nan 0.000 0.475 95 V N 7.443 127.380 119.914 0.039 0.000 2.406 95 V HA 0.390 4.510 4.120 0.000 0.000 0.272 95 V C 0.106 176.117 176.094 -0.138 0.000 1.043 95 V CA -0.130 62.178 62.300 0.013 0.000 0.915 95 V CB 1.114 33.009 31.823 0.119 0.000 0.988 95 V HN 0.649 nan 8.190 nan 0.000 0.466 96 I N 4.384 124.850 120.570 -0.172 0.000 2.382 96 I HA 0.399 4.569 4.170 0.000 0.000 0.285 96 I C 0.091 176.026 176.117 -0.303 0.000 1.007 96 I CA 0.036 61.139 61.300 -0.328 0.000 1.142 96 I CB 1.724 39.494 38.000 -0.384 0.000 1.289 96 I HN 0.583 nan 8.210 nan 0.000 0.453 97 S N 4.168 119.649 115.700 -0.365 0.000 2.472 97 S HA 0.721 5.191 4.470 0.000 0.000 0.303 97 S C 0.142 174.632 174.600 -0.184 0.000 1.099 97 S CA -0.519 57.558 58.200 -0.204 0.000 1.077 97 S CB 1.468 64.583 63.200 -0.141 0.000 1.031 97 S HN 0.738 nan 8.310 nan 0.000 0.487 98 G N 1.983 110.763 108.800 -0.034 0.000 2.634 98 G HA2 0.642 4.602 3.960 0.000 0.000 0.255 98 G HA3 0.642 4.602 3.960 0.000 0.000 0.255 98 G C -0.294 174.574 174.900 -0.053 0.000 1.205 98 G CA 0.058 45.164 45.100 0.010 0.000 0.884 98 G HN 1.221 nan 8.290 nan 0.000 0.549 99 A N 0.835 123.533 122.820 -0.204 0.000 2.601 99 A HA 0.810 5.130 4.320 0.000 0.000 0.291 99 A C -3.052 174.100 177.584 -0.721 0.000 1.075 99 A CA -1.159 50.459 52.037 -0.698 0.000 0.671 99 A CB 1.106 19.797 19.000 -0.515 0.000 1.277 99 A HN 0.505 nan 8.150 nan 0.000 0.417 100 P HA 0.300 nan 4.420 nan 0.000 0.268 100 P C 0.589 177.747 177.300 -0.237 0.000 1.208 100 P CA 0.609 63.365 63.100 -0.573 0.000 0.777 100 P CB 0.551 31.891 31.700 -0.601 0.000 0.875 101 G N 0.484 109.255 108.800 -0.048 0.000 2.664 101 G HA2 0.148 4.108 3.960 0.000 0.000 0.242 101 G HA3 0.148 4.108 3.960 0.000 0.000 0.242 101 G C 1.217 176.078 174.900 -0.065 0.000 1.225 101 G CA 0.053 45.131 45.100 -0.036 0.000 0.849 101 G HN 0.560 nan 8.290 nan 0.000 0.581 102 T N -2.717 111.804 114.554 -0.055 0.000 2.946 102 T HA -0.177 4.173 4.350 0.000 0.000 0.271 102 T C 1.891 176.567 174.700 -0.039 0.000 1.104 102 T CA 1.931 63.997 62.100 -0.056 0.000 1.114 102 T CB -0.376 68.464 68.868 -0.046 0.000 0.867 102 T HN 0.723 nan 8.240 nan 0.000 0.513 103 T N -1.948 112.592 114.554 -0.024 0.000 3.054 103 T HA 0.325 4.675 4.350 0.000 0.000 0.255 103 T C 0.311 175.009 174.700 -0.003 0.000 1.035 103 T CA -0.617 61.476 62.100 -0.012 0.000 0.941 103 T CB 0.032 68.898 68.868 -0.004 0.000 1.026 103 T HN 0.491 nan 8.240 nan 0.000 0.533 104 E N 0.634 120.831 120.200 -0.006 0.000 2.314 104 E HA 0.510 4.860 4.350 0.000 0.000 0.262 104 E C 0.945 177.545 176.600 0.001 0.000 1.093 104 E CA -0.240 56.168 56.400 0.014 0.000 0.908 104 E CB 0.752 30.475 29.700 0.038 0.000 1.091 104 E HN 0.310 nan 8.360 nan 0.000 0.425 105 G N 1.555 110.370 108.800 0.025 0.000 2.143 105 G HA2 -0.251 3.709 3.960 0.000 0.000 0.249 105 G HA3 -0.251 3.709 3.960 0.000 0.000 0.249 105 G C 0.335 175.246 174.900 0.019 0.000 0.981 105 G CA 0.068 45.181 45.100 0.023 0.000 0.665 105 G HN 0.507 nan 8.290 nan 0.000 0.528 106 N N 0.015 118.725 118.700 0.016 0.000 2.204 106 N HA 0.409 5.149 4.740 0.000 0.000 0.219 106 N C 1.437 176.957 175.510 0.017 0.000 1.151 106 N CA 0.613 53.670 53.050 0.013 0.000 0.867 106 N CB 0.801 39.291 38.487 0.005 0.000 1.043 106 N HN 0.635 nan 8.380 nan 0.000 0.516 107 A N -0.165 122.669 122.820 0.024 0.000 2.460 107 A HA 0.522 4.843 4.320 0.000 0.000 0.258 107 A C 1.410 179.009 177.584 0.025 0.000 1.300 107 A CA 0.235 52.286 52.037 0.024 0.000 0.913 107 A CB -0.274 18.743 19.000 0.027 0.000 1.031 107 A HN 0.198 nan 8.150 nan 0.000 0.512 108 G N -0.975 107.841 108.800 0.026 0.000 2.162 108 G HA2 -0.219 3.742 3.960 0.000 0.000 0.260 108 G HA3 -0.219 3.742 3.960 0.000 0.000 0.260 108 G C -0.015 174.905 174.900 0.034 0.000 0.976 108 G CA 0.594 45.709 45.100 0.027 0.000 0.655 108 G HN 0.519 nan 8.290 nan 0.000 0.533 109 L N 0.017 121.266 121.223 0.042 0.000 2.342 109 L HA 0.657 4.997 4.340 0.000 0.000 0.271 109 L C 0.798 177.709 176.870 0.068 0.000 1.008 109 L CA -1.249 53.623 54.840 0.053 0.000 0.818 109 L CB 1.761 43.854 42.059 0.057 0.000 1.296 109 L HN -0.026 nan 8.230 nan 0.000 0.427 110 L N 3.045 124.314 121.223 0.076 0.000 2.417 110 L HA 0.384 4.724 4.340 0.000 0.000 0.268 110 L C -0.426 176.521 176.870 0.129 0.000 1.158 110 L CA -0.348 54.549 54.840 0.094 0.000 0.819 110 L CB 0.778 42.890 42.059 0.088 0.000 1.112 110 L HN 0.377 nan 8.230 nan 0.000 0.458 111 L N 2.651 123.967 121.223 0.155 0.000 2.307 111 L HA 0.345 4.685 4.340 0.000 0.000 0.284 111 L C 0.177 177.181 176.870 0.223 0.000 1.023 111 L CA -1.075 53.893 54.840 0.214 0.000 0.810 111 L CB 1.116 43.296 42.059 0.201 0.000 1.231 111 L HN 0.625 nan 8.230 nan 0.000 0.423 112 H N 2.804 121.977 119.070 0.171 0.000 3.115 112 H HA -0.088 4.468 4.556 0.000 0.000 0.324 112 H C 0.045 175.515 175.328 0.237 0.000 1.007 112 H CA 0.467 56.564 56.048 0.082 0.000 1.385 112 H CB 0.259 29.936 29.762 -0.141 0.000 1.351 112 H HN 0.792 nan 8.280 nan 0.000 0.592 113 H N -1.031 118.171 119.070 0.221 0.000 4.089 113 H HA -0.210 4.346 4.556 0.000 0.000 0.142 113 H C 0.436 175.723 175.328 -0.068 0.000 0.778 113 H CA 1.082 57.197 56.048 0.111 0.000 1.258 113 H CB -1.349 28.514 29.762 0.168 0.000 0.810 113 H HN 0.910 nan 8.280 nan 0.000 0.487 114 Q N 1.481 121.384 119.800 0.170 0.000 2.394 114 Q HA 0.511 4.851 4.340 0.000 0.000 0.248 114 Q C 1.074 177.142 176.000 0.114 0.000 0.992 114 Q CA 0.302 56.164 55.803 0.097 0.000 0.888 114 Q CB 1.303 30.183 28.738 0.236 0.000 1.257 114 Q HN 0.312 nan 8.270 nan 0.000 0.462 115 G N 0.726 109.608 108.800 0.137 0.000 2.531 115 G HA2 0.050 4.010 3.960 0.000 0.000 0.253 115 G HA3 0.050 4.010 3.960 0.000 0.000 0.253 115 G C 0.373 175.329 174.900 0.095 0.000 1.439 115 G CA -0.384 44.800 45.100 0.141 0.000 1.056 115 G HN 0.877 nan 8.290 nan 0.000 0.555 116 R N -0.980 119.556 120.500 0.061 0.000 2.134 116 R HA -0.106 4.234 4.340 0.000 0.000 0.248 116 R C 1.294 177.634 176.300 0.067 0.000 1.143 116 R CA 2.117 58.247 56.100 0.049 0.000 0.957 116 R CB -0.573 29.746 30.300 0.031 0.000 0.867 116 R HN 0.623 nan 8.270 nan 0.000 0.441 117 T N -4.368 110.238 114.554 0.086 0.000 2.888 117 T HA 0.301 4.652 4.350 0.000 0.000 0.288 117 T C 1.141 175.918 174.700 0.128 0.000 1.063 117 T CA -0.901 61.252 62.100 0.089 0.000 1.010 117 T CB 1.224 70.134 68.868 0.070 0.000 1.214 117 T HN 0.058 nan 8.240 nan 0.000 0.533 118 L N -0.141 121.154 121.223 0.120 0.000 2.275 118 L HA 0.068 4.408 4.340 0.000 0.000 0.215 118 L C 1.891 178.878 176.870 0.196 0.000 1.119 118 L CA 1.360 56.303 54.840 0.171 0.000 0.790 118 L CB -0.401 41.699 42.059 0.069 0.000 0.919 118 L HN 0.756 nan 8.230 nan 0.000 0.443 119 D N -1.348 119.134 120.400 0.136 0.000 2.339 119 D HA -0.056 4.584 4.640 0.000 0.000 0.217 119 D C 1.862 178.288 176.300 0.210 0.000 1.050 119 D CA 0.321 54.411 54.000 0.149 0.000 0.856 119 D CB 0.359 41.194 40.800 0.059 0.000 0.922 119 D HN 0.019 nan 8.370 nan 0.000 0.518 120 T N -0.245 114.426 114.554 0.195 0.000 2.720 120 T HA -0.248 4.102 4.350 0.000 0.000 0.268 120 T C 1.739 176.611 174.700 0.286 0.000 1.037 120 T CA 1.400 63.628 62.100 0.214 0.000 1.144 120 T CB -0.202 68.787 68.868 0.202 0.000 0.864 120 T HN 0.304 nan 8.240 nan 0.000 0.444 121 Q N -0.288 119.663 119.800 0.253 0.000 2.061 121 Q HA -0.142 4.199 4.340 0.000 0.000 0.204 121 Q C 2.075 178.142 176.000 0.112 0.000 0.984 121 Q CA 1.516 57.361 55.803 0.071 0.000 0.846 121 Q CB -0.359 28.198 28.738 -0.301 0.000 0.902 121 Q HN 0.557 nan 8.270 nan 0.000 0.421 122 F N 1.046 121.026 119.950 0.051 0.000 2.095 122 F HA -0.284 4.243 4.527 0.000 0.000 0.298 122 F C 2.385 178.205 175.800 0.033 0.000 1.104 122 F CA 1.711 59.745 58.000 0.056 0.000 1.232 122 F CB -0.043 39.050 39.000 0.156 0.000 0.987 122 F HN 0.170 nan 8.300 nan 0.000 0.475 123 Q N -0.019 119.962 119.800 0.302 0.000 2.096 123 Q HA -0.157 4.183 4.340 0.000 0.000 0.204 123 Q C 2.546 178.573 176.000 0.045 0.000 0.982 123 Q CA 1.688 57.599 55.803 0.180 0.000 0.850 123 Q CB -1.091 27.742 28.738 0.159 0.000 0.901 123 Q HN 0.385 nan 8.270 nan 0.000 0.422 124 V N 0.284 120.232 119.914 0.058 0.000 2.295 124 V HA -0.215 3.905 4.120 0.000 0.000 0.246 124 V C 2.010 177.962 176.094 -0.237 0.000 1.049 124 V CA 1.567 63.845 62.300 -0.037 0.000 1.024 124 V CB -0.656 31.246 31.823 0.131 0.000 0.648 124 V HN 0.171 nan 8.190 nan 0.000 0.447 125 F N 0.467 120.189 119.950 -0.379 0.000 2.365 125 F HA -0.080 4.447 4.527 0.000 0.000 0.300 125 F C 2.230 177.793 175.800 -0.395 0.000 1.090 125 F CA 1.190 58.874 58.000 -0.528 0.000 1.408 125 F CB -0.427 37.887 39.000 -1.143 0.000 1.060 125 F HN 0.089 nan 8.300 nan 0.000 0.534 126 K N -0.067 120.202 120.400 -0.219 0.000 2.280 126 K HA -0.143 4.177 4.320 0.000 0.000 0.202 126 K C 1.660 178.185 176.600 -0.125 0.000 1.047 126 K CA 0.995 57.200 56.287 -0.137 0.000 0.942 126 K CB -0.097 32.373 32.500 -0.050 0.000 0.739 126 K HN 0.198 nan 8.250 nan 0.000 0.457 127 E N 0.513 120.604 120.200 -0.182 0.000 2.358 127 E HA -0.075 4.275 4.350 0.000 0.000 0.195 127 E C 1.559 177.943 176.600 -0.360 0.000 1.010 127 E CA 0.801 57.070 56.400 -0.218 0.000 0.856 127 E CB 0.234 29.815 29.700 -0.197 0.000 0.795 127 E HN 0.531 nan 8.360 nan 0.000 0.504 128 I N -1.933 118.414 120.570 -0.372 0.000 3.966 128 I HA 0.241 4.411 4.170 0.000 0.000 0.324 128 I C 0.001 176.024 176.117 -0.157 0.000 1.517 128 I CA -0.376 60.656 61.300 -0.447 0.000 1.117 128 I CB 0.660 38.412 38.000 -0.413 0.000 1.190 128 I HN -0.234 nan 8.210 nan 0.000 0.466 129 T N -1.730 112.815 114.554 -0.015 0.000 2.883 129 T HA 0.449 4.799 4.350 0.000 0.000 0.301 129 T C 0.619 175.478 174.700 0.265 0.000 1.158 129 T CA -0.047 62.184 62.100 0.218 0.000 1.007 129 T CB 2.057 71.027 68.868 0.171 0.000 1.186 129 T HN 0.047 nan 8.240 nan 0.000 0.499 130 V N -1.889 118.190 119.914 0.275 0.000 3.506 130 V HA 0.728 4.849 4.120 0.000 0.000 0.263 130 V C 0.665 176.866 176.094 0.178 0.000 1.203 130 V CA 0.592 63.033 62.300 0.235 0.000 1.133 130 V CB -0.928 31.003 31.823 0.180 0.000 0.802 130 V HN 1.317 nan 8.190 nan 0.000 0.459 131 A N -0.033 122.879 122.820 0.153 0.000 2.589 131 A HA 0.874 5.194 4.320 0.000 0.000 0.296 131 A C -1.411 176.243 177.584 0.117 0.000 1.062 131 A CA -0.678 51.441 52.037 0.137 0.000 0.686 131 A CB 1.972 21.061 19.000 0.147 0.000 1.282 131 A HN 0.382 nan 8.150 nan 0.000 0.404 132 Q N -0.615 119.254 119.800 0.115 0.000 2.456 132 Q HA 0.863 5.203 4.340 0.000 0.000 0.284 132 Q C -0.814 175.311 176.000 0.209 0.000 1.061 132 Q CA -0.013 55.849 55.803 0.099 0.000 0.799 132 Q CB 2.394 31.054 28.738 -0.131 0.000 1.445 132 Q HN 1.932 nan 8.270 nan 0.000 0.411 133 A N 0.951 123.898 122.820 0.212 0.000 2.555 133 A HA 0.729 5.049 4.320 0.000 0.000 0.297 133 A C -1.635 176.073 177.584 0.206 0.000 1.060 133 A CA -0.724 51.456 52.037 0.237 0.000 0.710 133 A CB 1.494 20.550 19.000 0.094 0.000 1.282 133 A HN 0.588 nan 8.150 nan 0.000 0.399 134 R N 2.953 123.570 120.500 0.196 0.000 2.207 134 R HA 0.559 4.899 4.340 0.000 0.000 0.334 134 R C -1.116 175.172 176.300 -0.020 0.000 1.013 134 R CA -0.606 55.526 56.100 0.054 0.000 0.858 134 R CB 0.376 30.644 30.300 -0.054 0.000 1.094 134 R HN 0.680 nan 8.270 nan 0.000 0.457 135 L N 5.914 127.105 121.223 -0.054 0.000 2.423 135 L HA 0.156 4.496 4.340 0.000 0.000 0.249 135 L C 0.092 176.933 176.870 -0.048 0.000 1.276 135 L CA -0.175 54.636 54.840 -0.047 0.000 1.199 135 L CB 0.071 42.094 42.059 -0.059 0.000 1.407 135 L HN 0.742 nan 8.230 nan 0.000 0.410 136 D N -1.815 118.557 120.400 -0.046 0.000 2.395 136 D HA 0.032 4.672 4.640 0.000 0.000 0.213 136 D C 0.144 176.424 176.300 -0.034 0.000 1.110 136 D CA -0.142 53.829 54.000 -0.048 0.000 0.835 136 D CB 0.407 41.167 40.800 -0.065 0.000 0.965 136 D HN 0.122 nan 8.370 nan 0.000 0.505 137 D N 0.247 120.632 120.400 -0.023 0.000 2.402 137 D HA 0.224 4.864 4.640 0.000 0.000 0.252 137 D C -2.016 174.282 176.300 -0.004 0.000 1.294 137 D CA -1.967 52.025 54.000 -0.014 0.000 0.948 137 D CB 2.241 43.033 40.800 -0.014 0.000 1.202 137 D HN -0.265 nan 8.370 nan 0.000 0.561 138 P HA -0.160 nan 4.420 nan 0.000 0.217 138 P C 1.147 178.460 177.300 0.023 0.000 1.151 138 P CA 1.633 64.740 63.100 0.013 0.000 0.849 138 P CB 0.339 32.046 31.700 0.012 0.000 0.787 139 A N -0.518 122.313 122.820 0.018 0.000 1.933 139 A HA -0.191 4.129 4.320 0.000 0.000 0.218 139 A C 2.030 179.625 177.584 0.019 0.000 1.175 139 A CA 1.613 53.665 52.037 0.024 0.000 0.628 139 A CB -0.708 18.302 19.000 0.016 0.000 0.814 139 A HN 0.091 nan 8.150 nan 0.000 0.444 140 K N -0.680 119.727 120.400 0.012 0.000 2.352 140 K HA 0.290 4.610 4.320 0.000 0.000 0.194 140 K C 2.123 178.730 176.600 0.012 0.000 1.038 140 K CA 0.816 57.110 56.287 0.010 0.000 1.023 140 K CB -0.388 32.115 32.500 0.005 0.000 0.840 140 K HN 0.392 nan 8.250 nan 0.000 0.519 141 A N 2.758 125.585 122.820 0.011 0.000 1.903 141 A HA -0.153 4.167 4.320 0.000 0.000 0.219 141 A C -0.569 177.023 177.584 0.014 0.000 1.191 141 A CA 1.593 53.636 52.037 0.010 0.000 0.638 141 A CB -1.530 17.476 19.000 0.010 0.000 0.823 141 A HN 0.148 nan 8.150 nan 0.000 0.451 142 P HA -0.130 nan 4.420 nan 0.000 0.215 142 P C 1.776 179.087 177.300 0.017 0.000 1.157 142 P CA 2.036 65.146 63.100 0.016 0.000 0.868 142 P CB -0.143 31.565 31.700 0.013 0.000 0.788 143 A N -0.196 122.635 122.820 0.017 0.000 1.930 143 A HA -0.198 4.122 4.320 0.000 0.000 0.217 143 A C 2.200 179.800 177.584 0.027 0.000 1.175 143 A CA 1.456 53.505 52.037 0.021 0.000 0.627 143 A CB -1.070 17.939 19.000 0.017 0.000 0.815 143 A HN 0.069 nan 8.150 nan 0.000 0.443 144 E N -0.032 120.183 120.200 0.025 0.000 2.072 144 E HA -0.132 4.218 4.350 0.000 0.000 0.191 144 E C 1.987 178.607 176.600 0.033 0.000 0.985 144 E CA 0.983 57.402 56.400 0.032 0.000 0.801 144 E CB -0.367 29.349 29.700 0.027 0.000 0.750 144 E HN 0.726 nan 8.360 nan 0.000 0.452 145 I N 1.127 121.710 120.570 0.022 0.000 2.179 145 I HA -0.283 3.888 4.170 0.000 0.000 0.242 145 I C 2.527 178.664 176.117 0.033 0.000 1.088 145 I CA 1.199 62.510 61.300 0.019 0.000 1.357 145 I CB -0.358 37.649 38.000 0.012 0.000 1.051 145 I HN 0.006 nan 8.210 nan 0.000 0.409 146 A N 0.692 123.534 122.820 0.037 0.000 1.908 146 A HA -0.273 4.048 4.320 0.000 0.000 0.218 146 A C 2.445 180.073 177.584 0.075 0.000 1.181 146 A CA 1.998 54.065 52.037 0.049 0.000 0.627 146 A CB -0.710 18.316 19.000 0.044 0.000 0.818 146 A HN 0.394 nan 8.150 nan 0.000 0.445 147 R N -0.430 120.114 120.500 0.074 0.000 2.073 147 R HA -0.093 4.247 4.340 0.000 0.000 0.234 147 R C 1.917 178.291 176.300 0.124 0.000 1.134 147 R CA 1.895 58.056 56.100 0.101 0.000 0.952 147 R CB -0.411 29.933 30.300 0.073 0.000 0.850 147 R HN 0.301 nan 8.270 nan 0.000 0.433 148 V N 1.458 121.427 119.914 0.092 0.000 2.307 148 V HA -0.214 3.906 4.120 0.000 0.000 0.245 148 V C 2.404 178.549 176.094 0.084 0.000 1.045 148 V CA 1.562 63.917 62.300 0.091 0.000 1.024 148 V CB -0.374 31.484 31.823 0.059 0.000 0.651 148 V HN 0.341 nan 8.190 nan 0.000 0.449 149 L N 0.428 121.689 121.223 0.063 0.000 2.141 149 L HA -0.066 4.274 4.340 0.000 0.000 0.209 149 L C 2.606 179.511 176.870 0.058 0.000 1.094 149 L CA 1.582 56.452 54.840 0.049 0.000 0.763 149 L CB -1.136 40.944 42.059 0.035 0.000 0.908 149 L HN 0.489 nan 8.230 nan 0.000 0.437 150 G N -0.271 108.586 108.800 0.095 0.000 2.408 150 G HA2 -0.202 3.758 3.960 0.000 0.000 0.217 150 G HA3 -0.202 3.758 3.960 0.000 0.000 0.217 150 G C 1.789 176.755 174.900 0.111 0.000 1.150 150 G CA 0.765 45.937 45.100 0.119 0.000 0.776 150 G HN 0.452 nan 8.290 nan 0.000 0.542 151 A N 1.182 124.121 122.820 0.198 0.000 1.898 151 A HA 0.318 4.638 4.320 0.000 0.000 0.216 151 A C 2.810 180.414 177.584 0.033 0.000 1.181 151 A CA 2.100 54.270 52.037 0.221 0.000 0.620 151 A CB -0.756 18.417 19.000 0.289 0.000 0.819 151 A HN 0.728 nan 8.150 nan 0.000 0.442 152 A N 0.094 122.936 122.820 0.037 0.000 1.902 152 A HA -0.187 4.133 4.320 0.000 0.000 0.217 152 A C 2.255 179.809 177.584 -0.050 0.000 1.181 152 A CA 1.644 53.680 52.037 -0.001 0.000 0.623 152 A CB -0.450 18.561 19.000 0.018 0.000 0.818 152 A HN 0.575 nan 8.150 nan 0.000 0.443 153 R N -0.589 119.879 120.500 -0.053 0.000 2.073 153 R HA 0.039 4.379 4.340 0.000 0.000 0.229 153 R C 2.465 178.710 176.300 -0.092 0.000 1.120 153 R CA 1.116 57.179 56.100 -0.061 0.000 0.967 153 R CB -0.428 29.847 30.300 -0.043 0.000 0.862 153 R HN 0.489 nan 8.270 nan 0.000 0.436 154 A N 1.104 123.753 122.820 -0.285 0.000 1.898 154 A HA -0.153 4.167 4.320 0.000 0.000 0.216 154 A C 1.875 179.238 177.584 -0.368 0.000 1.181 154 A CA 1.116 52.820 52.037 -0.554 0.000 0.620 154 A CB -0.156 17.955 19.000 -1.481 0.000 0.819 154 A HN 0.295 nan 8.150 nan 0.000 0.442 155 Q N -1.172 118.453 119.800 -0.293 0.000 2.408 155 Q HA 0.161 4.501 4.340 0.000 0.000 0.205 155 Q C 0.334 176.263 176.000 -0.118 0.000 0.919 155 Q CA 0.439 56.141 55.803 -0.168 0.000 0.932 155 Q CB 0.527 29.194 28.738 -0.118 0.000 1.058 155 Q HN 0.490 nan 8.270 nan 0.000 0.517 156 S N 0.646 116.275 115.700 -0.119 0.000 3.628 156 S HA -0.193 4.277 4.470 0.000 0.000 0.373 156 S C -0.548 173.944 174.600 -0.180 0.000 0.968 156 S CA 0.473 58.554 58.200 -0.198 0.000 1.215 156 S CB -0.672 62.278 63.200 -0.417 0.000 0.912 156 S HN 0.368 nan 8.310 nan 0.000 0.495 157 R N 0.288 120.706 120.500 -0.137 0.000 2.799 157 R HA 0.511 4.851 4.340 0.000 0.000 0.270 157 R C -2.968 173.316 176.300 -0.025 0.000 1.010 157 R CA -2.384 53.626 56.100 -0.151 0.000 0.916 157 R CB 1.270 31.372 30.300 -0.330 0.000 1.228 157 R HN 0.122 nan 8.270 nan 0.000 0.469 158 P HA 0.025 nan 4.420 nan 0.000 0.269 158 P C -0.893 176.491 177.300 0.141 0.000 1.215 158 P CA -0.282 62.883 63.100 0.109 0.000 0.780 158 P CB 0.628 32.419 31.700 0.150 0.000 0.898 159 V N -0.515 119.477 119.914 0.131 0.000 3.102 159 V HA 0.656 4.776 4.120 0.000 0.000 0.312 159 V C -1.567 174.627 176.094 0.167 0.000 1.135 159 V CA -1.029 61.353 62.300 0.137 0.000 1.022 159 V CB 2.126 34.003 31.823 0.091 0.000 1.056 159 V HN 0.419 nan 8.190 nan 0.000 0.436 160 Y N 2.093 122.378 120.300 -0.025 0.000 2.391 160 Y HA 0.823 5.373 4.550 0.000 0.000 0.341 160 Y C -1.243 174.583 175.900 -0.124 0.000 0.965 160 Y CA -1.315 56.716 58.100 -0.114 0.000 1.067 160 Y CB 1.865 40.224 38.460 -0.168 0.000 1.199 160 Y HN 0.787 nan 8.280 nan 0.000 0.450 161 L N 6.244 127.027 121.223 -0.733 0.000 2.372 161 L HA 0.452 4.792 4.340 0.000 0.000 0.274 161 L C -0.810 175.545 176.870 -0.857 0.000 0.988 161 L CA -0.674 53.804 54.840 -0.603 0.000 0.833 161 L CB 2.042 43.902 42.059 -0.332 0.000 1.236 161 L HN 0.634 nan 8.230 nan 0.000 0.410 162 E N 4.407 124.199 120.200 -0.679 0.000 2.133 162 E HA 0.494 4.844 4.350 0.000 0.000 0.274 162 E C -1.115 175.326 176.600 -0.266 0.000 0.930 162 E CA -0.552 55.566 56.400 -0.471 0.000 0.770 162 E CB 1.366 30.963 29.700 -0.171 0.000 1.104 162 E HN 0.494 nan 8.360 nan 0.000 0.403 163 I N 6.878 127.289 120.570 -0.266 0.000 2.405 163 I HA 0.280 4.450 4.170 0.000 0.000 0.280 163 I C -2.262 173.769 176.117 -0.144 0.000 1.027 163 I CA -2.467 58.714 61.300 -0.198 0.000 1.161 163 I CB 1.449 39.298 38.000 -0.251 0.000 1.300 163 I HN 0.326 nan 8.210 nan 0.000 0.463 164 P HA 0.013 nan 4.420 nan 0.000 0.265 164 P C 0.562 177.836 177.300 -0.043 0.000 1.193 164 P CA -0.121 62.909 63.100 -0.116 0.000 0.765 164 P CB 0.505 32.145 31.700 -0.100 0.000 0.823 165 R N 3.526 124.029 120.500 0.005 0.000 2.152 165 R HA -0.150 4.190 4.340 0.000 0.000 0.232 165 R C 1.140 177.476 176.300 0.059 0.000 1.117 165 R CA 1.529 57.673 56.100 0.074 0.000 0.981 165 R CB -0.905 29.484 30.300 0.150 0.000 0.870 165 R HN 0.400 nan 8.270 nan 0.000 0.451 166 N N 0.500 119.220 118.700 0.033 0.000 2.521 166 N HA -0.080 4.660 4.740 0.000 0.000 0.188 166 N C 0.945 176.466 175.510 0.018 0.000 1.146 166 N CA 0.668 53.734 53.050 0.026 0.000 0.893 166 N CB 0.121 38.617 38.487 0.015 0.000 0.975 166 N HN 0.274 nan 8.380 nan 0.000 0.451 167 M N -0.100 119.509 119.600 0.015 0.000 2.414 167 M HA 0.163 4.643 4.480 0.000 0.000 0.251 167 M C 1.708 178.029 176.300 0.035 0.000 1.116 167 M CA -0.021 55.286 55.300 0.012 0.000 1.056 167 M CB -0.180 32.414 32.600 -0.010 0.000 1.388 167 M HN -0.087 nan 8.290 nan 0.000 0.487 168 V N 1.876 121.827 119.914 0.062 0.000 2.278 168 V HA -0.308 3.812 4.120 0.000 0.000 0.251 168 V C 1.190 177.332 176.094 0.080 0.000 1.062 168 V CA 2.049 64.415 62.300 0.109 0.000 1.038 168 V CB -0.843 31.072 31.823 0.154 0.000 0.646 168 V HN 0.562 nan 8.190 nan 0.000 0.447 169 N N -0.385 118.347 118.700 0.054 0.000 2.235 169 N HA 0.401 5.141 4.740 0.000 0.000 0.209 169 N C 0.218 175.743 175.510 0.024 0.000 1.122 169 N CA 0.247 53.318 53.050 0.036 0.000 0.845 169 N CB 0.309 38.812 38.487 0.027 0.000 1.004 169 N HN 0.475 nan 8.380 nan 0.000 0.499 170 A N 1.075 123.910 122.820 0.025 0.000 2.462 170 A HA 0.054 4.375 4.320 0.000 0.000 0.243 170 A C 0.328 177.924 177.584 0.020 0.000 1.076 170 A CA -0.164 51.881 52.037 0.014 0.000 0.773 170 A CB 0.228 19.235 19.000 0.011 0.000 1.010 170 A HN 0.335 nan 8.150 nan 0.000 0.493 171 E N 0.730 120.934 120.200 0.007 0.000 2.316 171 E HA 0.411 4.761 4.350 0.000 0.000 0.275 171 E C -0.282 176.355 176.600 0.061 0.000 1.029 171 E CA -0.247 56.164 56.400 0.018 0.000 0.871 171 E CB 0.516 30.183 29.700 -0.054 0.000 1.022 171 E HN 0.696 nan 8.360 nan 0.000 0.418 172 V N 0.534 120.519 119.914 0.119 0.000 3.181 172 V HA 0.525 4.645 4.120 0.000 0.000 0.308 172 V C -0.574 175.616 176.094 0.159 0.000 1.214 172 V CA -1.061 61.322 62.300 0.138 0.000 1.053 172 V CB 1.763 33.628 31.823 0.069 0.000 1.069 172 V HN 0.702 nan 8.190 nan 0.000 0.441 173 E N 1.491 121.741 120.200 0.083 0.000 2.318 173 E HA 0.454 4.805 4.350 0.000 0.000 0.265 173 E C -2.549 174.037 176.600 -0.025 0.000 1.069 173 E CA -1.822 54.548 56.400 -0.049 0.000 0.893 173 E CB 1.090 30.742 29.700 -0.080 0.000 1.076 173 E HN 0.616 nan 8.360 nan 0.000 0.414 174 P HA -0.050 nan 4.420 nan 0.000 0.267 174 P C -0.865 176.427 177.300 -0.013 0.000 1.200 174 P CA -0.038 63.048 63.100 -0.024 0.000 0.772 174 P CB 0.442 32.122 31.700 -0.034 0.000 0.855 175 V N 3.004 122.917 119.914 -0.002 0.000 2.508 175 V HA 0.294 4.414 4.120 0.000 0.000 0.281 175 V C 1.330 177.426 176.094 0.004 0.000 1.041 175 V CA 0.492 62.795 62.300 0.005 0.000 1.016 175 V CB 0.298 32.128 31.823 0.011 0.000 0.984 175 V HN 0.764 nan 8.190 nan 0.000 0.478 176 G N 3.747 112.551 108.800 0.007 0.000 2.504 176 G HA2 0.231 4.191 3.960 0.000 0.000 0.257 176 G HA3 0.231 4.191 3.960 0.000 0.000 0.257 176 G C -0.288 174.623 174.900 0.018 0.000 1.451 176 G CA -0.571 44.534 45.100 0.008 0.000 1.059 176 G HN 0.647 nan 8.290 nan 0.000 0.550 177 D N 0.286 120.698 120.400 0.021 0.000 2.354 177 D HA 0.212 4.852 4.640 0.000 0.000 0.247 177 D C -0.207 176.121 176.300 0.047 0.000 1.138 177 D CA -0.092 53.926 54.000 0.031 0.000 0.958 177 D CB 0.713 41.530 40.800 0.029 0.000 1.144 177 D HN 0.126 nan 8.370 nan 0.000 0.458 178 D N 0.910 121.346 120.400 0.060 0.000 2.443 178 D HA 0.142 4.782 4.640 0.000 0.000 0.239 178 D C -1.988 174.385 176.300 0.121 0.000 1.136 178 D CA -0.614 53.443 54.000 0.095 0.000 0.879 178 D CB -0.097 40.762 40.800 0.097 0.000 1.195 178 D HN -0.014 nan 8.370 nan 0.000 0.443 179 P HA 0.190 nan 4.420 nan 0.000 0.269 179 P C -0.890 176.548 177.300 0.230 0.000 1.209 179 P CA -0.208 62.971 63.100 0.131 0.000 0.776 179 P CB 0.630 32.381 31.700 0.086 0.000 0.876 180 A N 2.371 125.286 122.820 0.158 0.000 2.354 180 A HA 0.392 4.712 4.320 0.000 0.000 0.269 180 A C -1.120 176.616 177.584 0.253 0.000 1.109 180 A CA -0.293 51.871 52.037 0.211 0.000 0.800 180 A CB 0.008 19.073 19.000 0.108 0.000 1.045 180 A HN 0.495 nan 8.150 nan 0.000 0.489 181 W N 2.290 123.584 121.300 -0.010 0.000 2.299 181 W HA 0.499 5.159 4.660 0.000 0.000 0.319 181 W C -2.184 174.325 176.519 -0.017 0.000 1.008 181 W CA -2.080 55.257 57.345 -0.013 0.000 1.384 181 W CB 0.063 29.511 29.460 -0.020 0.000 1.220 181 W HN 0.501 nan 8.180 nan 0.000 0.402 182 P HA 0.064 nan 4.420 nan 0.000 0.265 182 P C -0.733 176.617 177.300 0.083 0.000 1.187 182 P CA 0.085 63.232 63.100 0.078 0.000 0.766 182 P CB 0.716 32.436 31.700 0.032 0.000 0.820 183 V N 2.666 122.613 119.914 0.055 0.000 2.525 183 V HA 0.172 4.292 4.120 0.000 0.000 0.299 183 V C -0.285 175.827 176.094 0.030 0.000 1.034 183 V CA -0.691 61.634 62.300 0.042 0.000 0.863 183 V CB 1.909 33.746 31.823 0.024 0.000 0.999 183 V HN 0.535 nan 8.190 nan 0.000 0.423 184 D N 4.164 124.585 120.400 0.034 0.000 2.338 184 D HA 0.286 4.926 4.640 0.000 0.000 0.255 184 D C 1.266 177.579 176.300 0.022 0.000 1.237 184 D CA 0.328 54.346 54.000 0.030 0.000 0.883 184 D CB 1.674 42.499 40.800 0.042 0.000 1.087 184 D HN 0.642 nan 8.370 nan 0.000 0.485 185 R N 3.867 124.376 120.500 0.014 0.000 2.096 185 R HA -0.149 4.191 4.340 0.000 0.000 0.235 185 R C 1.490 177.794 176.300 0.006 0.000 1.127 185 R CA 1.754 57.857 56.100 0.005 0.000 0.968 185 R CB -0.942 29.360 30.300 0.004 0.000 0.861 185 R HN 0.577 nan 8.270 nan 0.000 0.440 186 D N 0.252 120.661 120.400 0.016 0.000 2.144 186 D HA -0.037 4.604 4.640 0.000 0.000 0.200 186 D C 2.229 178.549 176.300 0.034 0.000 0.978 186 D CA 1.587 55.600 54.000 0.021 0.000 0.833 186 D CB -0.263 40.552 40.800 0.026 0.000 0.961 186 D HN 0.526 nan 8.370 nan 0.000 0.470 187 A N 1.051 123.902 122.820 0.051 0.000 1.898 187 A HA -0.107 4.214 4.320 0.000 0.000 0.216 187 A C 2.171 179.756 177.584 0.001 0.000 1.181 187 A CA 0.732 52.827 52.037 0.098 0.000 0.620 187 A CB -0.596 18.485 19.000 0.135 0.000 0.819 187 A HN 0.206 nan 8.150 nan 0.000 0.442 188 L N -0.109 121.099 121.223 -0.025 0.000 2.046 188 L HA -0.045 4.295 4.340 0.000 0.000 0.208 188 L C 2.616 179.424 176.870 -0.103 0.000 1.077 188 L CA 2.196 56.988 54.840 -0.080 0.000 0.747 188 L CB -0.808 41.224 42.059 -0.046 0.000 0.896 188 L HN 0.329 nan 8.230 nan 0.000 0.432 189 A N -0.341 122.445 122.820 -0.057 0.000 1.877 189 A HA -0.126 4.194 4.320 0.000 0.000 0.216 189 A C 2.466 180.010 177.584 -0.067 0.000 1.186 189 A CA 2.015 54.022 52.037 -0.050 0.000 0.620 189 A CB -1.267 17.721 19.000 -0.020 0.000 0.822 189 A HN 0.594 nan 8.150 nan 0.000 0.443 190 A N -1.131 121.659 122.820 -0.049 0.000 1.902 190 A HA -0.203 4.117 4.320 0.000 0.000 0.217 190 A C 2.430 179.905 177.584 -0.181 0.000 1.181 190 A CA 1.730 53.754 52.037 -0.021 0.000 0.623 190 A CB -1.452 17.624 19.000 0.127 0.000 0.818 190 A HN 0.829 nan 8.150 nan 0.000 0.443 191 C N -0.623 118.363 119.300 -0.524 0.000 2.413 191 C HA 0.026 4.486 4.460 0.000 0.000 0.277 191 C C 3.172 177.917 174.990 -0.407 0.000 1.228 191 C CA 1.472 59.912 59.018 -0.963 0.000 1.731 191 C CB -1.364 25.718 27.740 -1.096 0.000 2.042 191 C HN 0.689 nan 8.230 nan 0.000 0.468 192 A N 0.344 123.013 122.820 -0.251 0.000 1.908 192 A HA -0.198 4.122 4.320 0.000 0.000 0.218 192 A C 1.876 179.398 177.584 -0.104 0.000 1.181 192 A CA 2.373 54.327 52.037 -0.139 0.000 0.627 192 A CB -0.841 18.108 19.000 -0.085 0.000 0.818 192 A HN 0.683 nan 8.150 nan 0.000 0.445 193 D N -0.749 119.599 120.400 -0.087 0.000 2.104 193 D HA -0.168 4.472 4.640 0.000 0.000 0.194 193 D C 1.910 178.184 176.300 -0.043 0.000 0.994 193 D CA 1.573 55.545 54.000 -0.048 0.000 0.830 193 D CB -0.380 40.405 40.800 -0.025 0.000 0.959 193 D HN 0.741 nan 8.370 nan 0.000 0.452 194 E N 0.393 120.568 120.200 -0.042 0.000 2.072 194 E HA -0.130 4.220 4.350 0.000 0.000 0.191 194 E C 2.132 178.693 176.600 -0.064 0.000 0.985 194 E CA 0.680 57.079 56.400 -0.003 0.000 0.801 194 E CB 0.179 29.944 29.700 0.108 0.000 0.750 194 E HN -0.010 nan 8.360 nan 0.000 0.452 195 V N 1.345 121.176 119.914 -0.139 0.000 2.261 195 V HA -0.262 3.859 4.120 0.000 0.000 0.246 195 V C 2.464 178.454 176.094 -0.174 0.000 1.047 195 V CA 1.608 63.765 62.300 -0.239 0.000 1.015 195 V CB -0.567 31.054 31.823 -0.337 0.000 0.642 195 V HN 0.355 nan 8.190 nan 0.000 0.446 196 L N 0.891 122.053 121.223 -0.101 0.000 2.042 196 L HA -0.130 4.210 4.340 0.000 0.000 0.210 196 L C 2.437 179.283 176.870 -0.041 0.000 1.076 196 L CA 2.446 57.256 54.840 -0.050 0.000 0.749 196 L CB -1.120 40.923 42.059 -0.026 0.000 0.893 196 L HN 0.250 nan 8.230 nan 0.000 0.432 197 A N -0.752 122.044 122.820 -0.039 0.000 1.933 197 A HA -0.077 4.243 4.320 0.000 0.000 0.218 197 A C 2.438 180.004 177.584 -0.031 0.000 1.175 197 A CA 1.785 53.807 52.037 -0.024 0.000 0.628 197 A CB -1.072 17.921 19.000 -0.011 0.000 0.814 197 A HN 0.566 nan 8.150 nan 0.000 0.444 198 A N -0.962 121.825 122.820 -0.055 0.000 1.898 198 A HA -0.074 4.246 4.320 0.000 0.000 0.216 198 A C 2.144 179.693 177.584 -0.060 0.000 1.181 198 A CA 1.863 53.862 52.037 -0.064 0.000 0.620 198 A CB -0.437 18.500 19.000 -0.106 0.000 0.819 198 A HN 0.413 nan 8.150 nan 0.000 0.442 199 M N -0.687 118.872 119.600 -0.068 0.000 2.175 199 M HA -0.033 4.448 4.480 0.000 0.000 0.264 199 M C 2.108 178.404 176.300 -0.007 0.000 1.063 199 M CA 1.282 56.566 55.300 -0.027 0.000 1.119 199 M CB -1.121 31.480 32.600 0.002 0.000 1.377 199 M HN 0.392 nan 8.290 nan 0.000 0.415 200 R N -0.029 120.465 120.500 -0.010 0.000 2.148 200 R HA -0.048 4.292 4.340 0.000 0.000 0.223 200 R C 2.246 178.544 176.300 -0.003 0.000 1.088 200 R CA 1.566 57.665 56.100 -0.002 0.000 0.985 200 R CB -0.135 30.163 30.300 -0.003 0.000 0.880 200 R HN 0.464 nan 8.270 nan 0.000 0.451 201 S N -0.227 115.468 115.700 -0.008 0.000 2.528 201 S HA 0.197 4.667 4.470 0.000 0.000 0.219 201 S C 0.855 175.453 174.600 -0.005 0.000 0.985 201 S CA -0.141 58.056 58.200 -0.005 0.000 0.914 201 S CB 0.374 63.570 63.200 -0.005 0.000 0.776 201 S HN 0.216 nan 8.310 nan 0.000 0.526 202 A N 2.134 124.950 122.820 -0.007 0.000 2.425 202 A HA 0.501 4.821 4.320 0.000 0.000 0.249 202 A C 1.509 179.093 177.584 0.000 0.000 1.084 202 A CA 0.135 52.168 52.037 -0.006 0.000 0.781 202 A CB 0.220 19.215 19.000 -0.008 0.000 1.019 202 A HN 0.489 nan 8.150 nan 0.000 0.490 203 T N -1.157 113.397 114.554 0.000 0.000 2.937 203 T HA 0.056 4.406 4.350 0.000 0.000 0.260 203 T C 0.986 175.688 174.700 0.004 0.000 1.051 203 T CA 1.302 63.403 62.100 0.003 0.000 1.141 203 T CB -0.067 68.803 68.868 0.003 0.000 0.879 203 T HN 0.731 nan 8.240 nan 0.000 0.459 204 S N 3.530 119.231 115.700 0.003 0.000 2.060 204 S HA 0.413 4.883 4.470 0.000 0.000 0.156 204 S C -2.867 171.736 174.600 0.005 0.000 1.690 204 S CA -1.613 56.590 58.200 0.004 0.000 1.238 204 S CB 0.480 63.681 63.200 0.002 0.000 1.150 204 S HN 0.255 nan 8.310 nan 0.000 0.437 205 P HA 0.327 nan 4.420 nan 0.000 0.275 205 P C -0.829 176.488 177.300 0.029 0.000 1.228 205 P CA -0.328 62.786 63.100 0.023 0.000 0.786 205 P CB 1.365 33.084 31.700 0.032 0.000 0.927 206 V N 3.560 123.499 119.914 0.041 0.000 2.760 206 V HA 0.254 4.375 4.120 0.000 0.000 0.309 206 V C -0.227 175.905 176.094 0.063 0.000 1.077 206 V CA -0.788 61.531 62.300 0.033 0.000 0.910 206 V CB 2.087 33.910 31.823 -0.000 0.000 1.008 206 V HN 0.388 nan 8.190 nan 0.000 0.424 207 L N 5.221 126.465 121.223 0.035 0.000 2.262 207 L HA 0.647 4.987 4.340 0.000 0.000 0.288 207 L C -0.348 176.503 176.870 -0.032 0.000 1.035 207 L CA -0.053 54.785 54.840 -0.004 0.000 0.820 207 L CB 1.074 43.106 42.059 -0.045 0.000 1.204 207 L HN 0.809 nan 8.230 nan 0.000 0.424 208 M N 6.819 126.403 119.600 -0.027 0.000 2.066 208 M HA 0.521 5.001 4.480 0.000 0.000 0.340 208 M C -1.006 175.278 176.300 -0.027 0.000 1.053 208 M CA -0.796 54.502 55.300 -0.004 0.000 0.983 208 M CB 1.015 33.645 32.600 0.049 0.000 1.520 208 M HN 0.471 nan 8.290 nan 0.000 0.428 209 V N 2.633 122.527 119.914 -0.033 0.000 2.617 209 V HA 0.739 4.859 4.120 0.000 0.000 0.298 209 V C -0.408 175.684 176.094 -0.004 0.000 1.048 209 V CA -0.684 61.594 62.300 -0.037 0.000 0.964 209 V CB 1.041 32.834 31.823 -0.050 0.000 1.004 209 V HN 1.067 nan 8.190 nan 0.000 0.466 210 C N 2.750 122.060 119.300 0.017 0.000 3.308 210 C HA 0.652 5.112 4.460 0.000 0.000 0.360 210 C C 1.905 176.919 174.990 0.041 0.000 1.695 210 C CA 0.349 59.385 59.018 0.030 0.000 1.366 210 C CB 1.493 29.270 27.740 0.062 0.000 2.121 210 C HN 1.320 nan 8.230 nan 0.000 0.442 211 V N 0.827 120.772 119.914 0.051 0.000 2.277 211 V HA -0.228 3.893 4.120 0.000 0.000 0.253 211 V C 1.790 177.894 176.094 0.017 0.000 1.067 211 V CA 2.836 65.157 62.300 0.035 0.000 1.047 211 V CB -1.237 30.618 31.823 0.054 0.000 0.649 211 V HN 0.930 nan 8.190 nan 0.000 0.447 212 E N 0.303 120.556 120.200 0.088 0.000 2.267 212 E HA -0.138 4.212 4.350 0.000 0.000 0.197 212 E C 2.264 178.905 176.600 0.068 0.000 0.998 212 E CA 1.486 57.917 56.400 0.051 0.000 0.830 212 E CB -0.349 29.483 29.700 0.220 0.000 0.751 212 E HN 0.649 nan 8.360 nan 0.000 0.491 213 V N 0.970 120.915 119.914 0.051 0.000 2.407 213 V HA -0.264 3.856 4.120 0.000 0.000 0.248 213 V C 2.369 178.462 176.094 -0.002 0.000 1.055 213 V CA 1.977 64.293 62.300 0.027 0.000 1.049 213 V CB -0.412 31.406 31.823 -0.008 0.000 0.662 213 V HN 0.196 nan 8.190 nan 0.000 0.455 214 R N -0.683 119.795 120.500 -0.037 0.000 2.140 214 R HA 0.001 4.341 4.340 0.000 0.000 0.213 214 R C 2.511 178.746 176.300 -0.109 0.000 1.059 214 R CA 0.186 56.250 56.100 -0.060 0.000 1.000 214 R CB -0.009 30.252 30.300 -0.064 0.000 0.910 214 R HN 0.280 nan 8.270 nan 0.000 0.455 215 R N -0.098 120.285 120.500 -0.195 0.000 2.105 215 R HA -0.161 4.179 4.340 0.000 0.000 0.239 215 R C 0.893 176.914 176.300 -0.465 0.000 1.135 215 R CA 1.395 57.261 56.100 -0.390 0.000 0.967 215 R CB -0.516 29.405 30.300 -0.631 0.000 0.861 215 R HN 0.354 nan 8.270 nan 0.000 0.442 216 Y N -0.463 119.802 120.300 -0.058 0.000 2.571 216 Y HA 0.316 4.866 4.550 0.001 0.000 0.275 216 Y C 1.166 177.033 175.900 -0.054 0.000 1.179 216 Y CA -0.155 57.905 58.100 -0.067 0.000 1.242 216 Y CB 0.028 38.440 38.460 -0.080 0.000 1.126 216 Y HN 0.252 nan 8.280 nan 0.000 0.524 217 G N 1.080 109.901 108.800 0.034 0.000 2.273 217 G HA2 -0.290 3.670 3.960 0.000 0.000 0.280 217 G HA3 -0.290 3.670 3.960 0.000 0.000 0.280 217 G C 0.429 175.339 174.900 0.016 0.000 1.047 217 G CA 0.621 45.727 45.100 0.011 0.000 0.869 217 G HN 0.517 nan 8.290 nan 0.000 0.502 218 L N -0.970 120.267 121.223 0.023 0.000 2.667 218 L HA 0.257 4.597 4.340 0.000 0.000 0.232 218 L C 2.185 179.049 176.870 -0.010 0.000 1.138 218 L CA 0.078 54.924 54.840 0.011 0.000 0.921 218 L CB -0.013 42.060 42.059 0.023 0.000 1.180 218 L HN 0.323 nan 8.230 nan 0.000 0.487 219 E N 1.391 121.580 120.200 -0.017 0.000 2.070 219 E HA -0.257 4.094 4.350 0.000 0.000 0.197 219 E C 2.334 178.920 176.600 -0.023 0.000 1.004 219 E CA 1.564 57.948 56.400 -0.026 0.000 0.805 219 E CB -0.047 29.633 29.700 -0.033 0.000 0.744 219 E HN 0.570 nan 8.360 nan 0.000 0.451 220 A N 1.454 124.262 122.820 -0.020 0.000 1.873 220 A HA -0.208 4.112 4.320 0.000 0.000 0.215 220 A C 1.961 179.536 177.584 -0.014 0.000 1.186 220 A CA 1.488 53.515 52.037 -0.017 0.000 0.616 220 A CB -0.273 18.718 19.000 -0.015 0.000 0.823 220 A HN 0.041 nan 8.150 nan 0.000 0.442 221 K N -0.520 119.872 120.400 -0.014 0.000 2.097 221 K HA -0.034 4.286 4.320 0.000 0.000 0.205 221 K C 1.759 178.349 176.600 -0.017 0.000 1.050 221 K CA 1.282 57.562 56.287 -0.012 0.000 0.938 221 K CB -0.231 32.262 32.500 -0.011 0.000 0.718 221 K HN 0.298 nan 8.250 nan 0.000 0.442 222 V N 1.009 120.907 119.914 -0.026 0.000 2.548 222 V HA -0.169 3.952 4.120 0.000 0.000 0.249 222 V C 2.204 178.277 176.094 -0.033 0.000 1.055 222 V CA 1.774 64.050 62.300 -0.041 0.000 1.065 222 V CB -0.323 31.464 31.823 -0.060 0.000 0.681 222 V HN 0.323 nan 8.190 nan 0.000 0.462 223 A N 0.136 122.941 122.820 -0.024 0.000 1.930 223 A HA -0.230 4.091 4.320 0.000 0.000 0.217 223 A C 2.183 179.761 177.584 -0.011 0.000 1.175 223 A CA 1.964 53.991 52.037 -0.017 0.000 0.627 223 A CB -0.410 18.582 19.000 -0.013 0.000 0.815 223 A HN 0.538 nan 8.150 nan 0.000 0.443 224 E N -0.218 119.976 120.200 -0.009 0.000 2.106 224 E HA -0.149 4.201 4.350 0.000 0.000 0.192 224 E C 1.763 178.363 176.600 -0.000 0.000 0.984 224 E CA 1.169 57.567 56.400 -0.004 0.000 0.806 224 E CB -0.394 29.303 29.700 -0.004 0.000 0.750 224 E HN 0.402 nan 8.360 nan 0.000 0.458 225 L N 0.386 121.607 121.223 -0.003 0.000 2.017 225 L HA -0.031 4.309 4.340 0.000 0.000 0.208 225 L C 2.203 179.080 176.870 0.012 0.000 1.073 225 L CA 2.382 57.226 54.840 0.007 0.000 0.745 225 L CB -1.140 40.919 42.059 0.001 0.000 0.894 225 L HN 0.175 nan 8.230 nan 0.000 0.432 226 A N -1.117 121.703 122.820 0.000 0.000 1.933 226 A HA -0.268 4.052 4.320 0.000 0.000 0.218 226 A C 2.269 179.859 177.584 0.010 0.000 1.175 226 A CA 1.715 53.756 52.037 0.006 0.000 0.628 226 A CB -0.690 18.306 19.000 -0.007 0.000 0.814 226 A HN 0.596 nan 8.150 nan 0.000 0.444 227 Q N 0.018 119.821 119.800 0.006 0.000 2.050 227 Q HA -0.125 4.215 4.340 0.000 0.000 0.202 227 Q C 2.186 178.192 176.000 0.010 0.000 0.980 227 Q CA 1.983 57.791 55.803 0.007 0.000 0.840 227 Q CB -0.257 28.484 28.738 0.004 0.000 0.898 227 Q HN 0.666 nan 8.270 nan 0.000 0.424 228 R N -0.581 119.926 120.500 0.012 0.000 2.115 228 R HA -0.026 4.314 4.340 0.000 0.000 0.230 228 R C 2.216 178.527 176.300 0.018 0.000 1.111 228 R CA 1.239 57.347 56.100 0.013 0.000 0.976 228 R CB -0.223 30.085 30.300 0.013 0.000 0.870 228 R HN 0.300 nan 8.270 nan 0.000 0.445 229 L N -0.552 120.686 121.223 0.025 0.000 2.341 229 L HA 0.116 4.457 4.340 0.000 0.000 0.214 229 L C 1.106 177.991 176.870 0.025 0.000 1.115 229 L CA 0.572 55.430 54.840 0.031 0.000 0.820 229 L CB -0.070 42.019 42.059 0.050 0.000 0.944 229 L HN 0.429 nan 8.230 nan 0.000 0.452 230 G N 1.125 109.937 108.800 0.020 0.000 2.225 230 G HA2 -0.215 3.745 3.960 0.000 0.000 0.264 230 G HA3 -0.215 3.745 3.960 0.000 0.000 0.264 230 G C 0.042 174.954 174.900 0.019 0.000 1.060 230 G CA 0.274 45.384 45.100 0.017 0.000 0.833 230 G HN 0.286 nan 8.290 nan 0.000 0.498 231 V N -2.621 117.306 119.914 0.022 0.000 2.715 231 V HA 0.956 5.076 4.120 0.000 0.000 0.310 231 V C -1.669 174.436 176.094 0.018 0.000 1.054 231 V CA -2.402 59.913 62.300 0.025 0.000 0.928 231 V CB 2.167 34.014 31.823 0.040 0.000 1.007 231 V HN 0.193 nan 8.190 nan 0.000 0.437 232 P HA 0.368 nan 4.420 nan 0.000 0.274 232 P C -0.812 176.492 177.300 0.006 0.000 1.231 232 P CA -0.190 62.916 63.100 0.010 0.000 0.790 232 P CB 1.693 33.400 31.700 0.011 0.000 0.951 233 V N 2.884 122.799 119.914 0.001 0.000 2.459 233 V HA 0.419 4.539 4.120 0.000 0.000 0.295 233 V C 0.478 176.570 176.094 -0.002 0.000 1.029 233 V CA -0.614 61.681 62.300 -0.007 0.000 0.874 233 V CB 1.764 33.578 31.823 -0.015 0.000 0.985 233 V HN 0.527 nan 8.190 nan 0.000 0.438 234 V N 1.422 121.334 119.914 -0.003 0.000 2.876 234 V HA 0.892 5.012 4.120 0.000 0.000 0.312 234 V C -0.090 176.009 176.094 0.007 0.000 1.085 234 V CA -0.439 61.866 62.300 0.009 0.000 0.945 234 V CB 1.877 33.713 31.823 0.021 0.000 1.017 234 V HN 0.917 nan 8.190 nan 0.000 0.428 235 T N 0.544 115.102 114.554 0.007 0.000 2.934 235 T HA 0.673 5.023 4.350 0.000 0.000 0.283 235 T C 0.453 175.161 174.700 0.014 0.000 1.005 235 T CA 0.239 62.336 62.100 -0.006 0.000 1.041 235 T CB 1.367 70.215 68.868 -0.034 0.000 1.042 235 T HN 1.495 nan 8.240 nan 0.000 0.505 236 T N 0.145 114.694 114.554 -0.009 0.000 2.754 236 T HA 0.290 4.640 4.350 0.000 0.000 0.286 236 T C 0.877 175.556 174.700 -0.036 0.000 0.997 236 T CA -0.701 61.380 62.100 -0.032 0.000 0.982 236 T CB 0.218 69.029 68.868 -0.095 0.000 1.027 236 T HN 0.560 nan 8.240 nan 0.000 0.529 237 F N 0.995 120.818 119.950 -0.212 0.000 2.095 237 F HA -0.061 4.466 4.527 0.000 0.000 0.298 237 F C 2.432 178.109 175.800 -0.204 0.000 1.104 237 F CA 2.044 59.904 58.000 -0.233 0.000 1.232 237 F CB -0.493 38.333 39.000 -0.290 0.000 0.987 237 F HN 0.560 nan 8.300 nan 0.000 0.475 238 M N 0.712 120.275 119.600 -0.062 0.000 2.159 238 M HA 0.031 4.511 4.480 0.000 0.000 0.263 238 M C 1.992 178.191 176.300 -0.167 0.000 1.063 238 M CA 2.036 57.262 55.300 -0.123 0.000 1.110 238 M CB -1.269 31.328 32.600 -0.003 0.000 1.374 238 M HN 0.111 nan 8.290 nan 0.000 0.411 239 G N -0.482 108.244 108.800 -0.123 0.000 2.848 239 G HA2 -0.049 3.911 3.960 0.000 0.000 0.208 239 G HA3 -0.049 3.911 3.960 0.000 0.000 0.208 239 G C 0.535 175.361 174.900 -0.123 0.000 1.152 239 G CA -0.269 44.773 45.100 -0.097 0.000 0.789 239 G HN 0.421 nan 8.290 nan 0.000 0.531 240 R N 0.387 120.765 120.500 -0.203 0.000 2.537 240 R HA 0.361 4.701 4.340 0.000 0.000 0.281 240 R C 1.409 177.628 176.300 -0.134 0.000 0.988 240 R CA 1.219 57.204 56.100 -0.192 0.000 1.077 240 R CB -0.024 30.083 30.300 -0.322 0.000 0.932 240 R HN 0.425 nan 8.270 nan 0.000 0.409 241 G N 2.922 111.675 108.800 -0.077 0.000 2.218 241 G HA2 -0.236 3.725 3.960 0.000 0.000 0.216 241 G HA3 -0.236 3.725 3.960 0.000 0.000 0.216 241 G C -0.068 174.806 174.900 -0.043 0.000 0.994 241 G CA 0.004 45.072 45.100 -0.053 0.000 0.637 241 G HN 0.498 nan 8.290 nan 0.000 0.505 242 L N 0.669 121.864 121.223 -0.046 0.000 2.436 242 L HA 0.544 4.884 4.340 0.000 0.000 0.265 242 L C 1.546 178.400 176.870 -0.027 0.000 1.168 242 L CA -0.559 54.258 54.840 -0.039 0.000 0.815 242 L CB 0.787 42.822 42.059 -0.040 0.000 1.109 242 L HN 0.166 nan 8.230 nan 0.000 0.462 243 L N 1.837 123.043 121.223 -0.028 0.000 3.839 243 L HA -0.302 4.038 4.340 0.000 0.000 0.416 243 L C 1.460 178.324 176.870 -0.010 0.000 1.195 243 L CA 1.110 55.938 54.840 -0.020 0.000 0.946 243 L CB -1.592 40.458 42.059 -0.016 0.000 1.891 243 L HN 0.833 nan 8.230 nan 0.000 0.963 244 A N -1.517 121.295 122.820 -0.014 0.000 2.019 244 A HA -0.133 4.187 4.320 0.000 0.000 0.219 244 A C 1.740 179.321 177.584 -0.006 0.000 1.164 244 A CA 1.886 53.921 52.037 -0.004 0.000 0.644 244 A CB -0.188 18.805 19.000 -0.013 0.000 0.805 244 A HN 0.533 nan 8.150 nan 0.000 0.449 245 D N -0.621 119.770 120.400 -0.015 0.000 2.369 245 D HA 0.361 5.001 4.640 0.000 0.000 0.211 245 D C 0.572 176.867 176.300 -0.009 0.000 1.077 245 D CA 0.554 54.545 54.000 -0.014 0.000 0.842 245 D CB 0.140 40.926 40.800 -0.024 0.000 0.947 245 D HN 0.404 nan 8.370 nan 0.000 0.509 246 A N 1.330 124.146 122.820 -0.006 0.000 2.440 246 A HA 0.290 4.610 4.320 0.000 0.000 0.251 246 A C -1.166 176.420 177.584 0.002 0.000 1.089 246 A CA -0.802 51.233 52.037 -0.004 0.000 0.779 246 A CB 0.463 19.460 19.000 -0.004 0.000 1.022 246 A HN -0.061 nan 8.150 nan 0.000 0.492 247 P HA -0.090 nan 4.420 nan 0.000 0.216 247 P C 0.422 177.728 177.300 0.009 0.000 1.154 247 P CA 1.481 64.584 63.100 0.004 0.000 0.865 247 P CB 0.129 31.831 31.700 0.003 0.000 0.789 248 T N 1.783 116.342 114.554 0.009 0.000 2.874 248 T HA 0.295 4.645 4.350 0.000 0.000 0.321 248 T C -2.374 172.335 174.700 0.015 0.000 1.075 248 T CA -1.447 60.661 62.100 0.013 0.000 0.966 248 T CB 1.002 69.876 68.868 0.010 0.000 1.001 248 T HN 0.025 nan 8.240 nan 0.000 0.476 249 P HA 0.288 nan 4.420 nan 0.000 0.272 249 P C -2.743 174.571 177.300 0.023 0.000 1.240 249 P CA -1.400 61.718 63.100 0.030 0.000 0.791 249 P CB -0.187 31.547 31.700 0.058 0.000 0.978 250 P HA 0.134 nan 4.420 nan 0.000 0.270 250 P C 1.206 178.514 177.300 0.013 0.000 1.223 250 P CA -0.045 63.061 63.100 0.010 0.000 0.785 250 P CB 0.310 32.013 31.700 0.005 0.000 0.923 251 L N -0.164 121.065 121.223 0.010 0.000 2.201 251 L HA 0.095 4.435 4.340 0.000 0.000 0.212 251 L C 1.335 178.210 176.870 0.009 0.000 1.105 251 L CA 1.405 56.253 54.840 0.013 0.000 0.775 251 L CB -0.737 41.332 42.059 0.016 0.000 0.913 251 L HN 0.664 nan 8.230 nan 0.000 0.440 252 G N -1.560 107.240 108.800 0.000 0.000 2.344 252 G HA2 0.135 4.095 3.960 0.000 0.000 0.282 252 G HA3 0.135 4.095 3.960 0.000 0.000 0.282 252 G C -1.297 173.595 174.900 -0.014 0.000 1.281 252 G CA -0.634 44.455 45.100 -0.019 0.000 0.877 252 G HN -0.230 nan 8.290 nan 0.000 0.494 253 T N 0.542 115.076 114.554 -0.034 0.000 2.792 253 T HA 0.489 4.839 4.350 0.000 0.000 0.280 253 T C -1.129 173.589 174.700 0.029 0.000 0.990 253 T CA -0.134 61.960 62.100 -0.011 0.000 0.960 253 T CB 1.320 70.156 68.868 -0.053 0.000 0.939 253 T HN 0.599 nan 8.240 nan 0.000 0.439 254 Y N 4.488 124.754 120.300 -0.056 0.000 2.436 254 Y HA 0.399 4.949 4.550 0.001 0.000 0.336 254 Y C 0.283 176.164 175.900 -0.032 0.000 1.049 254 Y CA -0.854 57.216 58.100 -0.049 0.000 1.294 254 Y CB 0.032 38.462 38.460 -0.050 0.000 1.179 254 Y HN 0.625 nan 8.280 nan 0.000 0.520 255 I N 6.405 126.631 120.570 -0.573 0.000 3.597 255 I HA 0.268 4.439 4.170 0.000 0.000 0.323 255 I C 1.181 176.961 176.117 -0.562 0.000 1.535 255 I CA 0.037 61.038 61.300 -0.498 0.000 1.028 255 I CB -0.142 37.782 38.000 -0.128 0.000 1.354 255 I HN 0.943 nan 8.210 nan 0.000 0.544 256 G N 2.466 110.649 108.800 -1.028 0.000 2.611 256 G HA2 -0.382 3.578 3.960 0.000 0.000 0.301 256 G HA3 -0.382 3.578 3.960 0.000 0.000 0.301 256 G C 1.008 175.822 174.900 -0.144 0.000 1.233 256 G CA 1.134 45.973 45.100 -0.435 0.000 0.993 256 G HN 0.505 nan 8.290 nan 0.000 0.553 257 V N -1.747 118.126 119.914 -0.067 0.000 2.867 257 V HA 0.307 4.427 4.120 0.000 0.000 0.260 257 V C 2.745 178.825 176.094 -0.022 0.000 1.099 257 V CA 2.695 64.976 62.300 -0.032 0.000 1.122 257 V CB -0.990 30.811 31.823 -0.037 0.000 0.708 257 V HN 2.099 nan 8.190 nan 0.000 0.490 258 A N 0.236 123.050 122.820 -0.010 0.000 2.195 258 A HA 0.615 4.935 4.320 0.000 0.000 0.210 258 A C 1.439 179.032 177.584 0.015 0.000 1.165 258 A CA 0.655 52.719 52.037 0.045 0.000 0.806 258 A CB -0.513 18.592 19.000 0.176 0.000 0.847 258 A HN 0.730 nan 8.150 nan 0.000 0.482 259 G N -0.664 108.103 108.800 -0.055 0.000 2.642 259 G HA2 0.410 4.370 3.960 0.000 0.000 0.291 259 G HA3 0.410 4.370 3.960 0.000 0.000 0.291 259 G C -0.974 173.862 174.900 -0.108 0.000 1.345 259 G CA -0.244 44.801 45.100 -0.092 0.000 1.043 259 G HN 0.198 nan 8.290 nan 0.000 0.528 260 D N -0.623 119.641 120.400 -0.226 0.000 2.458 260 D HA 0.338 4.978 4.640 0.000 0.000 0.243 260 D C 1.477 177.740 176.300 -0.061 0.000 1.146 260 D CA 0.597 54.469 54.000 -0.213 0.000 0.877 260 D CB 1.218 41.709 40.800 -0.514 0.000 1.176 260 D HN 0.388 nan 8.370 nan 0.000 0.461 261 A N 4.377 127.195 122.820 -0.005 0.000 1.948 261 A HA -0.222 4.098 4.320 0.000 0.000 0.220 261 A C 1.955 179.560 177.584 0.035 0.000 1.177 261 A CA 1.264 53.315 52.037 0.022 0.000 0.636 261 A CB -0.452 18.565 19.000 0.028 0.000 0.815 261 A HN 0.720 nan 8.150 nan 0.000 0.449 262 E N -0.206 120.015 120.200 0.035 0.000 2.072 262 E HA -0.101 4.249 4.350 0.000 0.000 0.191 262 E C 2.028 178.652 176.600 0.040 0.000 0.985 262 E CA 0.983 57.406 56.400 0.039 0.000 0.801 262 E CB -0.352 29.376 29.700 0.046 0.000 0.750 262 E HN 0.738 nan 8.360 nan 0.000 0.452 263 I N 0.938 121.527 120.570 0.032 0.000 2.315 263 I HA -0.211 3.959 4.170 0.000 0.000 0.248 263 I C 2.292 178.480 176.117 0.118 0.000 1.117 263 I CA 1.069 62.400 61.300 0.050 0.000 1.404 263 I CB -0.332 37.678 38.000 0.018 0.000 1.071 263 I HN 0.052 nan 8.210 nan 0.000 0.419 264 T N 0.195 114.838 114.554 0.149 0.000 2.746 264 T HA -0.187 4.163 4.350 0.000 0.000 0.267 264 T C 2.071 176.861 174.700 0.150 0.000 1.039 264 T CA 1.201 63.459 62.100 0.263 0.000 1.142 264 T CB -0.217 68.759 68.868 0.179 0.000 0.866 264 T HN 0.267 nan 8.240 nan 0.000 0.444 265 R N 0.173 120.723 120.500 0.083 0.000 2.066 265 R HA -0.029 4.311 4.340 0.000 0.000 0.232 265 R C 2.423 178.739 176.300 0.026 0.000 1.131 265 R CA 1.086 57.216 56.100 0.050 0.000 0.955 265 R CB -0.489 29.834 30.300 0.038 0.000 0.851 265 R HN 0.278 nan 8.270 nan 0.000 0.432 266 L N 0.641 121.876 121.223 0.021 0.000 2.042 266 L HA -0.160 4.180 4.340 0.000 0.000 0.210 266 L C 2.014 178.865 176.870 -0.031 0.000 1.076 266 L CA 1.629 56.469 54.840 0.001 0.000 0.749 266 L CB -0.411 41.651 42.059 0.006 0.000 0.893 266 L HN -0.044 nan 8.230 nan 0.000 0.432 267 V N -0.028 119.845 119.914 -0.068 0.000 2.270 267 V HA -0.259 3.861 4.120 0.000 0.000 0.245 267 V C 2.442 178.438 176.094 -0.163 0.000 1.043 267 V CA 2.177 64.364 62.300 -0.188 0.000 1.014 267 V CB -0.704 30.818 31.823 -0.502 0.000 0.645 267 V HN 0.520 nan 8.190 nan 0.000 0.447 268 E N -0.183 119.956 120.200 -0.102 0.000 2.274 268 E HA -0.154 4.196 4.350 0.000 0.000 0.194 268 E C 1.728 178.316 176.600 -0.021 0.000 0.996 268 E CA 0.867 57.242 56.400 -0.041 0.000 0.840 268 E CB -0.042 29.684 29.700 0.043 0.000 0.772 268 E HN 0.686 nan 8.360 nan 0.000 0.491 269 E N 0.761 120.952 120.200 -0.016 0.000 2.474 269 E HA 0.064 4.414 4.350 0.000 0.000 0.195 269 E C 0.199 176.790 176.600 -0.015 0.000 1.039 269 E CA -0.232 56.163 56.400 -0.008 0.000 0.881 269 E CB 0.668 30.369 29.700 0.002 0.000 0.970 269 E HN -0.086 nan 8.360 nan 0.000 0.486 270 S N 2.129 117.812 115.700 -0.028 0.000 2.549 270 S HA -0.021 4.449 4.470 0.000 0.000 0.283 270 S C 0.583 175.168 174.600 -0.025 0.000 1.320 270 S CA -0.376 57.809 58.200 -0.025 0.000 1.058 270 S CB 0.551 63.732 63.200 -0.032 0.000 0.882 270 S HN 0.218 nan 8.310 nan 0.000 0.498 271 D N 2.560 122.949 120.400 -0.018 0.000 2.402 271 D HA 0.192 4.832 4.640 0.000 0.000 0.216 271 D C 0.548 176.833 176.300 -0.025 0.000 1.128 271 D CA -0.068 53.919 54.000 -0.021 0.000 0.833 271 D CB -0.110 40.683 40.800 -0.012 0.000 0.971 271 D HN 0.527 nan 8.370 nan 0.000 0.503 272 G N 0.933 109.722 108.800 -0.019 0.000 4.632 272 G HA2 0.312 4.273 3.960 0.000 0.000 0.244 272 G HA3 0.312 4.273 3.960 0.000 0.000 0.244 272 G C -1.048 173.862 174.900 0.016 0.000 1.070 272 G CA -0.544 44.548 45.100 -0.014 0.000 0.791 272 G HN 0.146 nan 8.290 nan 0.000 0.544 273 L N 1.695 122.919 121.223 0.003 0.000 2.295 273 L HA 0.579 4.919 4.340 0.000 0.000 0.288 273 L C -0.920 176.019 176.870 0.116 0.000 1.079 273 L CA -1.231 53.629 54.840 0.033 0.000 0.830 273 L CB 0.059 42.103 42.059 -0.025 0.000 1.200 273 L HN 0.165 nan 8.230 nan 0.000 0.438 274 F N 6.675 126.612 119.950 -0.022 0.000 2.335 274 F HA 0.351 4.878 4.527 0.000 0.000 0.365 274 F C -0.429 175.390 175.800 0.031 0.000 1.122 274 F CA -1.389 56.611 58.000 -0.000 0.000 1.151 274 F CB 0.355 39.355 39.000 0.001 0.000 1.282 274 F HN 0.269 nan 8.300 nan 0.000 0.513 275 L N 7.420 128.880 121.223 0.393 0.000 2.401 275 L HA 0.141 4.482 4.340 0.000 0.000 0.283 275 L C -0.314 176.699 176.870 0.238 0.000 1.151 275 L CA -0.600 54.388 54.840 0.245 0.000 0.942 275 L CB 0.288 42.465 42.059 0.196 0.000 1.283 275 L HN 0.378 nan 8.230 nan 0.000 0.442 276 L N 4.158 125.352 121.223 -0.049 0.000 2.312 276 L HA 0.397 4.737 4.340 0.000 0.000 0.287 276 L C 1.063 177.955 176.870 0.037 0.000 1.091 276 L CA 0.477 55.215 54.840 -0.169 0.000 0.846 276 L CB 0.504 42.275 42.059 -0.481 0.000 1.219 276 L HN 0.742 nan 8.230 nan 0.000 0.439 277 G N 3.489 112.390 108.800 0.168 0.000 2.198 277 G HA2 -0.181 3.779 3.960 0.000 0.000 0.260 277 G HA3 -0.181 3.779 3.960 0.000 0.000 0.260 277 G C 0.331 175.471 174.900 0.400 0.000 1.025 277 G CA 0.174 45.460 45.100 0.309 0.000 0.769 277 G HN 1.097 nan 8.290 nan 0.000 0.507 278 A N -0.342 122.661 122.820 0.305 0.000 2.327 278 A HA 0.763 5.083 4.320 0.000 0.000 0.283 278 A C 0.547 177.884 177.584 -0.412 0.000 1.127 278 A CA -0.517 51.573 52.037 0.089 0.000 0.810 278 A CB 0.587 19.689 19.000 0.171 0.000 1.066 278 A HN 0.713 nan 8.150 nan 0.000 0.492 279 I N 2.534 122.873 120.570 -0.385 0.000 2.396 279 I HA 0.074 4.245 4.170 0.000 0.000 0.289 279 I C -0.103 175.823 176.117 -0.319 0.000 1.056 279 I CA 0.054 60.995 61.300 -0.598 0.000 1.365 279 I CB 0.895 38.645 38.000 -0.417 0.000 1.407 279 I HN 0.501 nan 8.210 nan 0.000 0.509 280 L N 7.203 128.212 121.223 -0.357 0.000 2.480 280 L HA 0.142 4.482 4.340 0.000 0.000 0.243 280 L C 0.665 177.497 176.870 -0.064 0.000 1.315 280 L CA -0.178 54.576 54.840 -0.144 0.000 1.231 280 L CB -0.873 41.002 42.059 -0.306 0.000 1.444 280 L HN 0.671 nan 8.230 nan 0.000 0.409 281 S N -2.342 113.331 115.700 -0.044 0.000 2.690 281 S HA 0.236 4.706 4.470 0.000 0.000 0.291 281 S C 0.884 175.545 174.600 0.102 0.000 1.138 281 S CA -0.711 57.448 58.200 -0.067 0.000 1.013 281 S CB 1.739 64.782 63.200 -0.261 0.000 1.053 281 S HN 0.482 nan 8.310 nan 0.000 0.539 282 D N 1.006 121.481 120.400 0.124 0.000 2.178 282 D HA -0.169 4.471 4.640 0.000 0.000 0.201 282 D C 1.860 178.212 176.300 0.087 0.000 0.980 282 D CA 1.868 55.941 54.000 0.123 0.000 0.842 282 D CB -1.517 39.354 40.800 0.118 0.000 0.948 282 D HN 0.722 nan 8.370 nan 0.000 0.472 283 T N -2.246 112.346 114.554 0.064 0.000 2.915 283 T HA -0.102 4.248 4.350 0.000 0.000 0.269 283 T C 1.602 176.177 174.700 -0.209 0.000 1.071 283 T CA 1.005 63.061 62.100 -0.073 0.000 1.132 283 T CB -0.214 68.644 68.868 -0.017 0.000 0.878 283 T HN -0.016 nan 8.240 nan 0.000 0.479 284 N N 0.159 118.741 118.700 -0.197 0.000 2.409 284 N HA 0.231 4.971 4.740 0.000 0.000 0.174 284 N C 0.541 175.589 175.510 -0.770 0.000 1.037 284 N CA 0.606 53.346 53.050 -0.516 0.000 0.898 284 N CB 0.062 38.111 38.487 -0.730 0.000 1.010 284 N HN 0.503 nan 8.380 nan 0.000 0.445 285 F N -0.956 119.024 119.950 0.049 0.000 2.880 285 F HA 0.450 4.978 4.527 0.000 0.000 0.346 285 F C 1.658 177.496 175.800 0.064 0.000 1.054 285 F CA -0.464 57.594 58.000 0.096 0.000 1.151 285 F CB -0.119 38.911 39.000 0.050 0.000 1.066 285 F HN -0.133 nan 8.300 nan 0.000 0.566 286 A N -0.235 122.688 122.820 0.172 0.000 2.167 286 A HA 0.027 4.348 4.320 0.000 0.000 0.214 286 A C 1.919 179.544 177.584 0.068 0.000 1.151 286 A CA 1.291 53.397 52.037 0.115 0.000 0.735 286 A CB -0.601 18.454 19.000 0.092 0.000 0.802 286 A HN 0.188 nan 8.150 nan 0.000 0.467 287 V N 1.355 121.300 119.914 0.053 0.000 3.620 287 V HA 0.049 4.169 4.120 0.000 0.000 0.286 287 V C 1.022 177.110 176.094 -0.011 0.000 1.288 287 V CA 0.743 63.045 62.300 0.003 0.000 1.178 287 V CB -1.239 30.608 31.823 0.039 0.000 0.986 287 V HN 0.645 nan 8.190 nan 0.000 0.431 288 S N -0.348 115.400 115.700 0.080 0.000 2.562 288 S HA 0.341 4.811 4.470 0.000 0.000 0.281 288 S C 1.202 175.855 174.600 0.088 0.000 1.333 288 S CA 0.551 58.846 58.200 0.158 0.000 1.052 288 S CB 1.478 64.830 63.200 0.253 0.000 0.884 288 S HN 0.742 nan 8.310 nan 0.000 0.506 289 Q N 3.523 123.379 119.800 0.093 0.000 2.008 289 Q HA 0.102 4.442 4.340 0.000 0.000 0.196 289 Q C 1.102 177.135 176.000 0.054 0.000 0.973 289 Q CA 1.065 56.900 55.803 0.053 0.000 0.826 289 Q CB -0.563 28.207 28.738 0.053 0.000 0.894 289 Q HN 0.911 nan 8.270 nan 0.000 0.439 290 R N 1.579 122.123 120.500 0.073 0.000 2.312 290 R HA 0.352 4.692 4.340 0.000 0.000 0.311 290 R C -0.420 175.918 176.300 0.064 0.000 1.004 290 R CA -0.594 55.539 56.100 0.055 0.000 0.902 290 R CB 1.133 31.462 30.300 0.048 0.000 1.073 290 R HN 0.561 nan 8.270 nan 0.000 0.457 291 K N 2.967 123.394 120.400 0.044 0.000 2.472 291 K HA 0.037 4.358 4.320 0.000 0.000 0.280 291 K C -0.391 176.229 176.600 0.033 0.000 1.028 291 K CA 0.367 56.678 56.287 0.041 0.000 1.045 291 K CB 0.375 32.889 32.500 0.024 0.000 0.902 291 K HN 0.492 nan 8.250 nan 0.000 0.478 292 I N 3.079 123.671 120.570 0.037 0.000 2.304 292 I HA -0.010 4.160 4.170 0.000 0.000 0.291 292 I C 0.039 176.125 176.117 -0.051 0.000 1.018 292 I CA -0.637 60.661 61.300 -0.004 0.000 1.260 292 I CB 1.016 39.021 38.000 0.008 0.000 1.390 292 I HN 0.715 nan 8.210 nan 0.000 0.475 293 D N 7.424 127.793 120.400 -0.052 0.000 2.416 293 D HA 0.082 4.722 4.640 0.000 0.000 0.240 293 D C 1.127 177.359 176.300 -0.115 0.000 1.250 293 D CA 0.118 54.083 54.000 -0.058 0.000 0.967 293 D CB 0.724 41.509 40.800 -0.026 0.000 1.059 293 D HN 0.461 nan 8.370 nan 0.000 0.512 294 L N 3.246 124.375 121.223 -0.158 0.000 2.187 294 L HA -0.160 4.180 4.340 0.000 0.000 0.213 294 L C 2.351 179.105 176.870 -0.193 0.000 1.100 294 L CA 0.735 55.433 54.840 -0.236 0.000 0.765 294 L CB -0.207 41.681 42.059 -0.284 0.000 0.904 294 L HN 0.289 nan 8.230 nan 0.000 0.437 295 R N 0.448 120.865 120.500 -0.139 0.000 2.285 295 R HA -0.066 4.274 4.340 0.000 0.000 0.213 295 R C 1.439 177.534 176.300 -0.341 0.000 1.068 295 R CA 0.738 56.729 56.100 -0.182 0.000 1.004 295 R CB -0.143 30.151 30.300 -0.011 0.000 0.873 295 R HN 0.435 nan 8.270 nan 0.000 0.467 296 K N 0.640 120.903 120.400 -0.228 0.000 2.372 296 K HA 0.045 4.366 4.320 0.000 0.000 0.200 296 K C 0.662 177.150 176.600 -0.188 0.000 1.022 296 K CA 0.141 56.292 56.287 -0.226 0.000 1.125 296 K CB 0.773 33.204 32.500 -0.115 0.000 0.855 296 K HN 0.161 nan 8.250 nan 0.000 0.524 297 T N -1.913 112.530 114.554 -0.185 0.000 2.884 297 T HA 0.522 4.873 4.350 0.000 0.000 0.277 297 T C 0.258 174.882 174.700 -0.127 0.000 0.976 297 T CA -0.790 61.229 62.100 -0.134 0.000 0.956 297 T CB 1.262 70.047 68.868 -0.137 0.000 1.113 297 T HN -0.075 nan 8.240 nan 0.000 0.554 298 I N 1.731 122.262 120.570 -0.065 0.000 2.362 298 I HA 0.337 4.507 4.170 0.000 0.000 0.289 298 I C -0.750 175.460 176.117 0.155 0.000 0.994 298 I CA -0.761 60.485 61.300 -0.089 0.000 1.158 298 I CB 1.134 38.915 38.000 -0.365 0.000 1.315 298 I HN 0.734 nan 8.210 nan 0.000 0.451 299 H N 6.056 125.141 119.070 0.026 0.000 2.800 299 H HA 0.697 5.253 4.556 0.000 0.000 0.322 299 H C -1.144 174.287 175.328 0.171 0.000 0.979 299 H CA -0.681 55.429 56.048 0.104 0.000 1.277 299 H CB 1.508 31.272 29.762 0.003 0.000 1.484 299 H HN 0.652 nan 8.280 nan 0.000 0.512 300 A N 5.434 128.305 122.820 0.087 0.000 2.271 300 A HA 0.641 4.962 4.320 0.000 0.000 0.317 300 A C -1.542 176.022 177.584 -0.033 0.000 1.245 300 A CA -0.513 51.541 52.037 0.029 0.000 0.857 300 A CB -0.202 18.922 19.000 0.206 0.000 1.175 300 A HN 0.578 nan 8.150 nan 0.000 0.512 301 F N 1.482 121.243 119.950 -0.315 0.000 2.746 301 F HA 0.363 4.890 4.527 0.000 0.000 0.311 301 F C -0.804 174.933 175.800 -0.105 0.000 1.135 301 F CA -0.476 57.399 58.000 -0.208 0.000 0.954 301 F CB 1.362 40.162 39.000 -0.333 0.000 1.276 301 F HN 0.665 nan 8.300 nan 0.000 0.440 302 D N 4.083 124.019 120.400 -0.772 0.000 2.708 302 D HA -0.232 4.409 4.640 0.000 0.000 0.236 302 D C 0.310 176.503 176.300 -0.179 0.000 1.146 302 D CA 1.596 55.320 54.000 -0.459 0.000 0.662 302 D CB -0.486 40.163 40.800 -0.252 0.000 1.059 302 D HN 0.802 nan 8.370 nan 0.000 0.428 303 R N -3.414 116.980 120.500 -0.177 0.000 3.651 303 R HA -0.147 4.193 4.340 0.000 0.000 0.292 303 R C 0.124 176.407 176.300 -0.029 0.000 1.161 303 R CA 1.272 57.307 56.100 -0.108 0.000 0.787 303 R CB -1.913 28.345 30.300 -0.070 0.000 1.249 303 R HN 0.441 nan 8.270 nan 0.000 0.476 304 A N -0.583 122.224 122.820 -0.022 0.000 2.594 304 A HA 0.804 5.124 4.320 0.000 0.000 0.291 304 A C -0.896 176.706 177.584 0.029 0.000 1.105 304 A CA -0.558 51.499 52.037 0.034 0.000 0.694 304 A CB 2.178 21.210 19.000 0.053 0.000 1.291 304 A HN 0.019 nan 8.150 nan 0.000 0.410 305 V N 0.737 120.705 119.914 0.090 0.000 2.623 305 V HA 0.668 4.788 4.120 0.000 0.000 0.304 305 V C -0.507 175.665 176.094 0.129 0.000 1.054 305 V CA -0.361 61.989 62.300 0.084 0.000 0.882 305 V CB 1.972 33.831 31.823 0.060 0.000 1.002 305 V HN 0.944 nan 8.190 nan 0.000 0.424 306 T N 6.738 121.326 114.554 0.057 0.000 2.824 306 T HA 0.858 5.208 4.350 0.000 0.000 0.282 306 T C -0.690 173.951 174.700 -0.098 0.000 0.993 306 T CA -0.423 61.677 62.100 0.001 0.000 0.967 306 T CB 1.234 70.121 68.868 0.032 0.000 0.960 306 T HN 0.804 nan 8.240 nan 0.000 0.441 307 L N -0.753 120.302 121.223 -0.281 0.000 2.794 307 L HA 0.772 5.113 4.340 0.000 0.000 0.261 307 L C 0.359 176.829 176.870 -0.666 0.000 0.989 307 L CA -0.928 53.689 54.840 -0.372 0.000 0.900 307 L CB 1.052 42.952 42.059 -0.264 0.000 1.473 307 L HN 0.750 nan 8.230 nan 0.000 0.414 308 G N 0.664 109.161 108.800 -0.506 0.000 2.283 308 G HA2 -0.314 3.646 3.960 0.000 0.000 0.280 308 G HA3 -0.314 3.646 3.960 0.000 0.000 0.280 308 G C 0.106 174.929 174.900 -0.128 0.000 1.029 308 G CA 1.003 45.908 45.100 -0.325 0.000 0.840 308 G HN 1.592 nan 8.290 nan 0.000 0.505 309 Y N -2.623 117.602 120.300 -0.125 0.000 4.668 309 Y HA -0.231 4.319 4.550 0.000 0.000 0.234 309 Y C 1.099 177.012 175.900 0.021 0.000 1.056 309 Y CA 1.544 59.627 58.100 -0.030 0.000 2.025 309 Y CB -2.693 35.783 38.460 0.027 0.000 1.613 309 Y HN 1.141 nan 8.280 nan 0.000 0.653 310 H N -2.676 116.415 119.070 0.035 0.000 2.946 310 H HA 0.859 5.415 4.556 0.000 0.000 0.365 310 H C -0.748 174.547 175.328 -0.056 0.000 1.197 310 H CA -0.544 55.488 56.048 -0.027 0.000 1.131 310 H CB 2.223 31.927 29.762 -0.096 0.000 1.849 310 H HN -0.035 nan 8.280 nan 0.000 0.555 311 T N 1.724 116.307 114.554 0.049 0.000 2.841 311 T HA 0.306 4.656 4.350 0.000 0.000 0.283 311 T C -1.013 173.669 174.700 -0.029 0.000 1.000 311 T CA -0.549 61.568 62.100 0.028 0.000 0.977 311 T CB 0.705 69.603 68.868 0.051 0.000 0.979 311 T HN 0.387 nan 8.240 nan 0.000 0.446 312 Y N 1.807 122.153 120.300 0.077 0.000 2.353 312 Y HA 0.569 5.119 4.550 0.000 0.000 0.340 312 Y C 0.699 176.622 175.900 0.039 0.000 0.972 312 Y CA -0.761 57.376 58.100 0.061 0.000 1.157 312 Y CB 0.796 39.287 38.460 0.050 0.000 1.157 312 Y HN 0.807 nan 8.280 nan 0.000 0.495 313 A N 2.071 124.985 122.820 0.156 0.000 2.287 313 A HA 0.354 4.675 4.320 0.000 0.000 0.273 313 A C 0.241 177.888 177.584 0.106 0.000 1.091 313 A CA -0.479 51.623 52.037 0.109 0.000 0.817 313 A CB 0.071 19.117 19.000 0.076 0.000 1.069 313 A HN 0.896 nan 8.150 nan 0.000 0.492 314 D N -0.596 119.855 120.400 0.085 0.000 2.697 314 D HA -0.133 4.507 4.640 0.000 0.000 0.235 314 D C -0.632 175.699 176.300 0.052 0.000 1.167 314 D CA 0.888 54.935 54.000 0.078 0.000 0.656 314 D CB -0.978 39.874 40.800 0.086 0.000 1.025 314 D HN 0.302 nan 8.370 nan 0.000 0.419 315 I N 1.410 121.997 120.570 0.028 0.000 2.405 315 I HA 0.211 4.382 4.170 0.000 0.000 0.280 315 I C -1.869 174.208 176.117 -0.066 0.000 1.027 315 I CA -2.035 59.259 61.300 -0.010 0.000 1.161 315 I CB 1.144 39.143 38.000 -0.002 0.000 1.300 315 I HN -0.220 nan 8.210 nan 0.000 0.463 316 P HA 0.055 nan 4.420 nan 0.000 0.271 316 P C 0.942 178.121 177.300 -0.203 0.000 1.216 316 P CA -0.448 62.522 63.100 -0.215 0.000 0.776 316 P CB 1.793 33.352 31.700 -0.234 0.000 0.881 317 L N 4.207 125.266 121.223 -0.274 0.000 2.042 317 L HA -0.202 4.139 4.340 0.000 0.000 0.210 317 L C 2.498 179.294 176.870 -0.124 0.000 1.076 317 L CA 2.540 57.288 54.840 -0.154 0.000 0.749 317 L CB -1.581 40.415 42.059 -0.105 0.000 0.893 317 L HN 0.500 nan 8.230 nan 0.000 0.432 318 A N -0.783 121.924 122.820 -0.188 0.000 1.902 318 A HA -0.100 4.220 4.320 0.000 0.000 0.217 318 A C 2.357 179.892 177.584 -0.081 0.000 1.181 318 A CA 1.609 53.580 52.037 -0.109 0.000 0.623 318 A CB -1.560 17.366 19.000 -0.123 0.000 0.818 318 A HN 0.524 nan 8.150 nan 0.000 0.443 319 G N -0.247 108.493 108.800 -0.100 0.000 2.418 319 G HA2 -0.155 3.805 3.960 0.000 0.000 0.217 319 G HA3 -0.155 3.805 3.960 0.000 0.000 0.217 319 G C 1.498 176.368 174.900 -0.049 0.000 1.158 319 G CA 1.251 46.310 45.100 -0.068 0.000 0.771 319 G HN 0.513 nan 8.290 nan 0.000 0.545 320 L N 0.739 121.934 121.223 -0.047 0.000 2.027 320 L HA 0.033 4.374 4.340 0.000 0.000 0.206 320 L C 2.900 179.776 176.870 0.009 0.000 1.074 320 L CA 1.410 56.239 54.840 -0.018 0.000 0.745 320 L CB -0.540 41.526 42.059 0.011 0.000 0.898 320 L HN 0.072 nan 8.230 nan 0.000 0.433 321 V N 0.041 119.957 119.914 0.004 0.000 2.295 321 V HA -0.293 3.827 4.120 0.000 0.000 0.246 321 V C 2.317 178.412 176.094 0.002 0.000 1.049 321 V CA 2.018 64.323 62.300 0.009 0.000 1.024 321 V CB -0.822 30.994 31.823 -0.011 0.000 0.648 321 V HN 0.466 nan 8.190 nan 0.000 0.447 322 D N 0.360 120.753 120.400 -0.011 0.000 2.117 322 D HA -0.134 4.507 4.640 0.000 0.000 0.197 322 D C 2.234 178.529 176.300 -0.009 0.000 0.987 322 D CA 1.688 55.681 54.000 -0.011 0.000 0.829 322 D CB -0.327 40.462 40.800 -0.018 0.000 0.961 322 D HN 0.441 nan 8.370 nan 0.000 0.460 323 A N 0.556 123.368 122.820 -0.013 0.000 1.933 323 A HA -0.123 4.197 4.320 0.000 0.000 0.218 323 A C 2.408 179.987 177.584 -0.008 0.000 1.175 323 A CA 0.912 52.940 52.037 -0.016 0.000 0.628 323 A CB -0.681 18.300 19.000 -0.031 0.000 0.814 323 A HN 0.208 nan 8.150 nan 0.000 0.444 324 L N -0.857 120.370 121.223 0.007 0.000 2.072 324 L HA -0.113 4.227 4.340 0.000 0.000 0.205 324 L C 2.511 179.391 176.870 0.017 0.000 1.079 324 L CA 0.841 55.693 54.840 0.021 0.000 0.752 324 L CB -0.474 41.623 42.059 0.062 0.000 0.906 324 L HN 0.353 nan 8.230 nan 0.000 0.436 325 L N -0.405 120.826 121.223 0.014 0.000 2.083 325 L HA -0.218 4.122 4.340 0.000 0.000 0.209 325 L C 2.421 179.294 176.870 0.004 0.000 1.083 325 L CA 1.258 56.104 54.840 0.009 0.000 0.752 325 L CB -0.447 41.615 42.059 0.005 0.000 0.899 325 L HN 0.308 nan 8.230 nan 0.000 0.433 326 E N -0.096 120.104 120.200 0.001 0.000 2.268 326 E HA -0.173 4.177 4.350 0.000 0.000 0.195 326 E C 1.842 178.442 176.600 -0.001 0.000 0.995 326 E CA 0.700 57.099 56.400 -0.002 0.000 0.836 326 E CB 0.110 29.807 29.700 -0.005 0.000 0.763 326 E HN 0.442 nan 8.360 nan 0.000 0.491 327 R N -0.174 120.326 120.500 -0.000 0.000 2.362 327 R HA 0.237 4.578 4.340 0.000 0.000 0.227 327 R C -0.069 176.233 176.300 0.003 0.000 0.905 327 R CA -0.033 56.067 56.100 -0.001 0.000 1.067 327 R CB 0.527 30.825 30.300 -0.004 0.000 1.078 327 R HN -0.014 nan 8.270 nan 0.000 0.516 328 L N 2.559 123.786 121.223 0.006 0.000 2.333 328 L HA 0.461 4.801 4.340 0.000 0.000 0.280 328 L C -2.203 174.671 176.870 0.006 0.000 1.004 328 L CA -2.308 52.537 54.840 0.008 0.000 0.820 328 L CB 2.064 44.131 42.059 0.014 0.000 1.247 328 L HN -0.151 nan 8.230 nan 0.000 0.416 329 P HA 0.290 nan 4.420 nan 0.000 0.274 329 P C -2.695 174.608 177.300 0.005 0.000 1.237 329 P CA -1.648 61.455 63.100 0.004 0.000 0.793 329 P CB 0.064 31.767 31.700 0.004 0.000 0.977 330 P HA 0.043 nan 4.420 nan 0.000 0.268 330 P C 0.199 177.502 177.300 0.005 0.000 1.205 330 P CA 0.301 63.404 63.100 0.004 0.000 0.771 330 P CB 0.234 31.936 31.700 0.003 0.000 0.858 331 S N 1.755 117.459 115.700 0.005 0.000 2.531 331 S HA 0.174 4.644 4.470 0.000 0.000 0.279 331 S C -0.054 174.549 174.600 0.005 0.000 1.305 331 S CA -0.495 57.709 58.200 0.006 0.000 1.058 331 S CB -0.408 62.797 63.200 0.007 0.000 0.899 331 S HN 0.382 nan 8.310 nan 0.000 0.493 338 K N 1.081 121.489 120.400 0.012 0.000 2.258 338 K HA 0.720 5.041 4.320 0.000 0.000 0.264 338 K C 0.358 176.967 176.600 0.014 0.000 1.007 338 K CA -0.195 56.100 56.287 0.014 0.000 0.941 338 K CB 0.860 33.369 32.500 0.015 0.000 0.966 338 K HN 0.998 nan 8.250 nan 0.000 0.480 339 E N 2.321 122.530 120.200 0.014 0.000 2.324 339 E HA 0.261 4.612 4.350 0.000 0.000 0.271 339 E C -2.204 174.404 176.600 0.015 0.000 1.028 339 E CA -1.515 54.892 56.400 0.012 0.000 0.890 339 E CB 0.545 30.251 29.700 0.010 0.000 1.004 339 E HN 0.474 nan 8.360 nan 0.000 0.431 340 P HA 0.077 nan 4.420 nan 0.000 0.272 340 P C -1.165 176.131 177.300 -0.007 0.000 1.223 340 P CA -0.164 62.939 63.100 0.005 0.000 0.784 340 P CB 0.354 32.052 31.700 -0.003 0.000 0.923 341 H N 1.344 120.347 119.070 -0.112 0.000 2.975 341 H HA 0.356 4.912 4.556 0.000 0.000 0.303 341 H C -0.096 175.095 175.328 -0.228 0.000 1.023 341 H CA -0.189 55.774 56.048 -0.141 0.000 1.473 341 H CB -0.070 29.602 29.762 -0.151 0.000 1.498 341 H HN 0.430 nan 8.280 nan 0.000 0.549 342 A N 5.070 127.550 122.820 -0.567 0.000 2.445 342 A HA 0.212 4.532 4.320 0.000 0.000 0.242 342 A C -0.841 176.443 177.584 -0.500 0.000 1.075 342 A CA -0.255 51.535 52.037 -0.411 0.000 0.777 342 A CB -0.111 18.746 19.000 -0.238 0.000 1.013 342 A HN 0.767 nan 8.150 nan 0.000 0.493 343 Y N 1.547 121.752 120.300 -0.158 0.000 2.299 343 Y HA 0.384 4.935 4.550 0.000 0.000 0.326 343 Y C -1.767 174.091 175.900 -0.070 0.000 1.164 343 Y CA -1.753 56.295 58.100 -0.087 0.000 1.234 343 Y CB 0.504 38.943 38.460 -0.037 0.000 1.219 343 Y HN 0.485 nan 8.280 nan 0.000 0.497 344 P HA 0.112 nan 4.420 nan 0.000 0.267 344 P C -0.271 177.070 177.300 0.068 0.000 1.205 344 P CA 0.065 63.210 63.100 0.074 0.000 0.765 344 P CB 0.927 32.678 31.700 0.085 0.000 0.828 345 T N 0.848 115.424 114.554 0.037 0.000 2.696 345 T HA 0.612 4.962 4.350 0.000 0.000 0.291 345 T C -0.186 174.520 174.700 0.009 0.000 1.095 345 T CA 0.034 62.146 62.100 0.020 0.000 1.026 345 T CB 0.656 69.533 68.868 0.015 0.000 1.390 345 T HN 0.624 nan 8.240 nan 0.000 0.513 346 G N 1.627 110.427 108.800 0.000 0.000 2.368 346 G HA2 -0.121 3.839 3.960 0.000 0.000 0.290 346 G HA3 -0.121 3.839 3.960 0.000 0.000 0.290 346 G C -0.276 174.623 174.900 -0.002 0.000 1.098 346 G CA 0.203 45.302 45.100 -0.002 0.000 1.073 346 G HN 1.004 nan 8.290 nan 0.000 0.511 347 L N -0.025 121.196 121.223 -0.004 0.000 2.453 347 L HA 0.481 4.821 4.340 0.000 0.000 0.272 347 L C 0.707 177.574 176.870 -0.006 0.000 1.182 347 L CA 0.304 55.141 54.840 -0.005 0.000 0.858 347 L CB 0.616 42.670 42.059 -0.008 0.000 1.120 347 L HN 0.435 nan 8.230 nan 0.000 0.474 348 Q N 5.161 124.958 119.800 -0.005 0.000 2.456 348 Q HA 0.419 4.759 4.340 0.000 0.000 0.234 348 Q C -0.084 175.913 176.000 -0.006 0.000 1.061 348 Q CA -0.258 55.542 55.803 -0.005 0.000 0.896 348 Q CB 0.974 29.709 28.738 -0.004 0.000 1.233 348 Q HN 0.840 nan 8.270 nan 0.000 0.506 349 A N 3.780 126.596 122.820 -0.007 0.000 3.026 349 A HA 0.138 4.458 4.320 0.000 0.000 0.272 349 A C -0.293 177.287 177.584 -0.005 0.000 1.782 349 A CA -0.306 51.727 52.037 -0.006 0.000 1.451 349 A CB -0.562 18.435 19.000 -0.006 0.000 1.081 349 A HN 0.692 nan 8.150 nan 0.000 0.611 350 D N -0.342 120.055 120.400 -0.006 0.000 2.658 350 D HA 0.483 5.123 4.640 0.000 0.000 0.243 350 D C 1.082 177.379 176.300 -0.005 0.000 1.159 350 D CA 0.144 54.141 54.000 -0.005 0.000 1.084 350 D CB -0.013 40.785 40.800 -0.004 0.000 1.227 350 D HN 0.006 nan 8.370 nan 0.000 0.636 351 G N -1.257 107.540 108.800 -0.004 0.000 3.233 351 G HA2 0.046 4.006 3.960 0.000 0.000 0.227 351 G HA3 0.046 4.006 3.960 0.000 0.000 0.227 351 G C 0.256 175.153 174.900 -0.005 0.000 1.175 351 G CA -0.201 44.897 45.100 -0.004 0.000 0.781 351 G HN 0.216 nan 8.290 nan 0.000 0.542 352 E N 1.172 121.369 120.200 -0.006 0.000 2.371 352 E HA 0.179 4.529 4.350 0.000 0.000 0.257 352 E C -2.114 174.480 176.600 -0.009 0.000 1.134 352 E CA -1.512 54.884 56.400 -0.006 0.000 0.919 352 E CB 1.112 30.808 29.700 -0.006 0.000 1.025 352 E HN 0.111 nan 8.360 nan 0.000 0.438 353 P HA 0.159 nan 4.420 nan 0.000 0.274 353 P C -0.134 177.153 177.300 -0.021 0.000 1.246 353 P CA -0.000 63.092 63.100 -0.013 0.000 0.795 353 P CB 0.645 32.340 31.700 -0.009 0.000 1.006 354 I N 0.501 121.052 120.570 -0.031 0.000 2.396 354 I HA 0.441 4.612 4.170 0.000 0.000 0.292 354 I C 0.703 176.787 176.117 -0.055 0.000 0.999 354 I CA -0.443 60.825 61.300 -0.052 0.000 1.310 354 I CB 1.084 39.037 38.000 -0.079 0.000 1.404 354 I HN 0.356 nan 8.210 nan 0.000 0.496 355 A N 7.267 130.053 122.820 -0.056 0.000 2.380 355 A HA 0.688 5.008 4.320 0.000 0.000 0.315 355 A C -2.192 175.354 177.584 -0.065 0.000 1.101 355 A CA -1.688 50.326 52.037 -0.039 0.000 0.771 355 A CB 1.258 20.252 19.000 -0.010 0.000 1.287 355 A HN 0.468 nan 8.150 nan 0.000 0.436 356 P HA -0.193 nan 4.420 nan 0.000 0.216 356 P C 1.546 178.864 177.300 0.029 0.000 1.157 356 P CA 1.560 64.658 63.100 -0.003 0.000 0.880 356 P CB -0.019 31.781 31.700 0.166 0.000 0.791 357 M N -0.925 118.704 119.600 0.049 0.000 2.279 357 M HA -0.131 4.349 4.480 0.000 0.000 0.264 357 M C 1.308 177.624 176.300 0.027 0.000 1.062 357 M CA 1.477 56.811 55.300 0.057 0.000 1.099 357 M CB -1.595 31.038 32.600 0.056 0.000 1.394 357 M HN 0.021 nan 8.290 nan 0.000 0.426 358 D N 0.325 120.720 120.400 -0.007 0.000 2.144 358 D HA -0.046 4.594 4.640 0.000 0.000 0.200 358 D C 2.152 178.435 176.300 -0.029 0.000 0.978 358 D CA 1.039 55.027 54.000 -0.020 0.000 0.833 358 D CB 0.027 40.805 40.800 -0.037 0.000 0.961 358 D HN 0.387 nan 8.370 nan 0.000 0.470 359 I N 1.376 121.908 120.570 -0.063 0.000 2.252 359 I HA -0.226 3.945 4.170 0.000 0.000 0.245 359 I C 2.596 178.729 176.117 0.026 0.000 1.102 359 I CA 0.844 62.106 61.300 -0.064 0.000 1.385 359 I CB -0.266 37.609 38.000 -0.208 0.000 1.064 359 I HN -0.094 nan 8.210 nan 0.000 0.414 360 A N 1.079 123.936 122.820 0.062 0.000 1.902 360 A HA -0.202 4.119 4.320 0.000 0.000 0.217 360 A C 2.406 180.021 177.584 0.052 0.000 1.181 360 A CA 1.498 53.586 52.037 0.086 0.000 0.623 360 A CB -0.554 18.515 19.000 0.115 0.000 0.818 360 A HN 0.326 nan 8.150 nan 0.000 0.443 361 R N -0.577 119.944 120.500 0.036 0.000 2.075 361 R HA -0.035 4.305 4.340 0.000 0.000 0.232 361 R C 2.501 178.802 176.300 0.003 0.000 1.126 361 R CA 1.121 57.233 56.100 0.020 0.000 0.963 361 R CB -0.465 29.844 30.300 0.014 0.000 0.858 361 R HN 0.510 nan 8.270 nan 0.000 0.435 362 A N 0.763 123.584 122.820 0.003 0.000 1.877 362 A HA -0.124 4.196 4.320 0.000 0.000 0.216 362 A C 2.366 179.946 177.584 -0.006 0.000 1.186 362 A CA 1.443 53.478 52.037 -0.002 0.000 0.620 362 A CB -0.593 18.410 19.000 0.004 0.000 0.822 362 A HN 0.111 nan 8.150 nan 0.000 0.443 363 V N 1.004 120.926 119.914 0.013 0.000 2.295 363 V HA -0.254 3.867 4.120 0.000 0.000 0.246 363 V C 2.264 178.327 176.094 -0.053 0.000 1.049 363 V CA 2.186 64.491 62.300 0.009 0.000 1.024 363 V CB -0.996 30.859 31.823 0.053 0.000 0.648 363 V HN 0.562 nan 8.190 nan 0.000 0.447 364 N N 0.244 118.914 118.700 -0.050 0.000 2.223 364 N HA -0.153 4.587 4.740 0.000 0.000 0.185 364 N C 1.514 176.970 175.510 -0.090 0.000 1.016 364 N CA 1.448 54.442 53.050 -0.094 0.000 0.863 364 N CB -0.488 37.959 38.487 -0.067 0.000 0.983 364 N HN 0.466 nan 8.380 nan 0.000 0.429 365 D N 0.631 120.992 120.400 -0.064 0.000 2.117 365 D HA -0.058 4.582 4.640 0.000 0.000 0.197 365 D C 1.994 178.239 176.300 -0.092 0.000 0.987 365 D CA 0.725 54.687 54.000 -0.063 0.000 0.829 365 D CB -0.076 40.698 40.800 -0.043 0.000 0.961 365 D HN 0.247 nan 8.370 nan 0.000 0.460 366 R N 0.239 120.664 120.500 -0.126 0.000 2.096 366 R HA -0.067 4.273 4.340 0.000 0.000 0.235 366 R C 2.350 178.532 176.300 -0.196 0.000 1.127 366 R CA 0.604 56.590 56.100 -0.190 0.000 0.968 366 R CB -0.274 29.836 30.300 -0.316 0.000 0.861 366 R HN 0.091 nan 8.270 nan 0.000 0.440 367 V N 1.051 120.857 119.914 -0.181 0.000 2.261 367 V HA -0.248 3.873 4.120 0.000 0.000 0.246 367 V C 2.344 178.366 176.094 -0.120 0.000 1.047 367 V CA 1.616 63.821 62.300 -0.158 0.000 1.015 367 V CB -0.442 31.285 31.823 -0.159 0.000 0.642 367 V HN 0.254 nan 8.190 nan 0.000 0.446 368 R N 0.481 120.917 120.500 -0.106 0.000 2.127 368 R HA -0.056 4.284 4.340 0.000 0.000 0.238 368 R C 2.124 178.385 176.300 -0.066 0.000 1.134 368 R CA 1.454 57.508 56.100 -0.076 0.000 0.975 368 R CB -1.142 29.122 30.300 -0.060 0.000 0.865 368 R HN 0.551 nan 8.270 nan 0.000 0.447 369 A N -0.642 122.131 122.820 -0.078 0.000 2.238 369 A HA 0.269 4.589 4.320 0.000 0.000 0.208 369 A C 1.399 178.941 177.584 -0.070 0.000 1.177 369 A CA 1.154 53.149 52.037 -0.069 0.000 0.804 369 A CB 0.107 19.063 19.000 -0.074 0.000 0.823 369 A HN 0.427 nan 8.150 nan 0.000 0.482 370 G N -1.886 106.866 108.800 -0.080 0.000 2.485 370 G HA2 -0.147 3.814 3.960 0.000 0.000 0.181 370 G HA3 -0.147 3.814 3.960 0.000 0.000 0.181 370 G C 0.191 175.040 174.900 -0.085 0.000 0.999 370 G CA 0.097 45.155 45.100 -0.070 0.000 0.721 370 G HN 0.529 nan 8.290 nan 0.000 0.486 371 Q N 1.219 120.941 119.800 -0.130 0.000 2.293 371 Q HA 0.411 4.751 4.340 0.000 0.000 0.263 371 Q C 0.117 176.049 176.000 -0.113 0.000 1.002 371 Q CA -0.274 55.433 55.803 -0.160 0.000 0.910 371 Q CB 0.789 29.332 28.738 -0.326 0.000 1.185 371 Q HN 0.323 nan 8.270 nan 0.000 0.401 372 E N 6.991 127.156 120.200 -0.059 0.000 2.417 372 E HA 0.093 4.443 4.350 0.000 0.000 0.261 372 E C -2.217 174.372 176.600 -0.019 0.000 1.000 372 E CA -1.285 55.098 56.400 -0.028 0.000 0.919 372 E CB 0.509 30.211 29.700 0.003 0.000 0.955 372 E HN 0.344 nan 8.360 nan 0.000 0.455 373 P HA -0.016 nan 4.420 nan 0.000 0.269 373 P C -0.544 176.785 177.300 0.049 0.000 1.217 373 P CA 0.224 63.317 63.100 -0.012 0.000 0.783 373 P CB 0.569 32.241 31.700 -0.047 0.000 0.898 374 L N 1.301 122.578 121.223 0.091 0.000 2.334 374 L HA 0.396 4.736 4.340 0.000 0.000 0.272 374 L C 0.802 177.721 176.870 0.081 0.000 1.020 374 L CA -1.449 53.460 54.840 0.115 0.000 0.812 374 L CB 1.258 43.419 42.059 0.170 0.000 1.264 374 L HN 0.294 nan 8.230 nan 0.000 0.439 375 L N 2.488 123.766 121.223 0.091 0.000 2.456 375 L HA 0.273 4.613 4.340 0.000 0.000 0.272 375 L C -0.480 176.430 176.870 0.067 0.000 1.189 375 L CA 0.716 55.608 54.840 0.086 0.000 0.846 375 L CB 0.305 42.462 42.059 0.163 0.000 1.111 375 L HN 0.313 nan 8.230 nan 0.000 0.475 376 I N 5.049 125.645 120.570 0.044 0.000 2.377 376 I HA 0.541 4.711 4.170 0.000 0.000 0.293 376 I C -0.078 176.050 176.117 0.018 0.000 0.987 376 I CA -0.587 60.729 61.300 0.026 0.000 1.185 376 I CB 1.620 39.627 38.000 0.012 0.000 1.341 376 I HN 0.807 nan 8.210 nan 0.000 0.455 377 A N 5.470 128.292 122.820 0.002 0.000 2.287 377 A HA 0.870 5.191 4.320 0.000 0.000 0.317 377 A C -0.476 177.098 177.584 -0.017 0.000 1.220 377 A CA -0.432 51.608 52.037 0.005 0.000 0.835 377 A CB 0.984 19.948 19.000 -0.060 0.000 1.180 377 A HN 0.776 nan 8.150 nan 0.000 0.500 378 A N 2.347 125.172 122.820 0.009 0.000 2.365 378 A HA 0.690 5.010 4.320 0.000 0.000 0.318 378 A C -0.368 177.203 177.584 -0.021 0.000 1.091 378 A CA -0.568 51.433 52.037 -0.060 0.000 0.763 378 A CB 0.928 19.852 19.000 -0.128 0.000 1.248 378 A HN 0.798 nan 8.150 nan 0.000 0.442 379 D N 0.590 120.936 120.400 -0.090 0.000 2.478 379 D HA 0.421 5.061 4.640 0.000 0.000 0.269 379 D C -0.377 175.855 176.300 -0.114 0.000 1.232 379 D CA -0.258 53.691 54.000 -0.085 0.000 1.059 379 D CB 1.010 41.734 40.800 -0.127 0.000 1.104 379 D HN 0.450 nan 8.370 nan 0.000 0.566 380 M N 0.231 119.773 119.600 -0.095 0.000 2.233 380 M HA 0.459 4.939 4.480 0.000 0.000 0.355 380 M C -0.169 176.125 176.300 -0.010 0.000 1.191 380 M CA 0.189 55.455 55.300 -0.055 0.000 1.101 380 M CB 0.454 33.020 32.600 -0.056 0.000 1.592 380 M HN 0.464 nan 8.290 nan 0.000 0.461 381 G N 3.562 112.407 108.800 0.074 0.000 2.350 381 G HA2 0.005 3.965 3.960 0.000 0.000 0.282 381 G HA3 0.005 3.965 3.960 0.000 0.000 0.282 381 G C -0.581 174.431 174.900 0.187 0.000 1.314 381 G CA -0.175 44.988 45.100 0.105 0.000 0.915 381 G HN 0.571 nan 8.290 nan 0.000 0.499 382 D N -0.423 120.060 120.400 0.138 0.000 2.310 382 D HA -0.078 4.562 4.640 0.000 0.000 0.212 382 D C 2.548 178.888 176.300 0.067 0.000 0.965 382 D CA 1.995 56.111 54.000 0.193 0.000 0.879 382 D CB -0.434 40.476 40.800 0.183 0.000 0.921 382 D HN 0.709 nan 8.370 nan 0.000 0.510 383 C N -0.674 118.458 119.300 -0.279 0.000 2.425 383 C HA -0.047 4.413 4.460 0.000 0.000 0.277 383 C C 2.514 177.334 174.990 -0.283 0.000 1.280 383 C CA 0.177 58.752 59.018 -0.738 0.000 1.744 383 C CB -1.473 25.721 27.740 -0.911 0.000 1.989 383 C HN 0.319 nan 8.230 nan 0.000 0.491 384 L N 0.094 121.230 121.223 -0.145 0.000 2.072 384 L HA 0.230 4.570 4.340 0.000 0.000 0.205 384 L C 2.244 178.992 176.870 -0.203 0.000 1.079 384 L CA 1.664 56.384 54.840 -0.201 0.000 0.752 384 L CB -1.038 40.864 42.059 -0.262 0.000 0.906 384 L HN 0.262 nan 8.230 nan 0.000 0.436 385 F N -0.479 119.470 119.950 -0.001 0.000 2.365 385 F HA -0.131 4.396 4.527 0.000 0.000 0.300 385 F C 2.259 178.096 175.800 0.061 0.000 1.090 385 F CA 1.560 59.593 58.000 0.055 0.000 1.408 385 F CB -0.839 38.186 39.000 0.041 0.000 1.060 385 F HN 0.053 nan 8.300 nan 0.000 0.534 386 T N -0.640 114.040 114.554 0.211 0.000 2.851 386 T HA -0.029 4.321 4.350 0.000 0.000 0.262 386 T C 2.321 177.106 174.700 0.142 0.000 1.043 386 T CA 0.991 63.223 62.100 0.219 0.000 1.140 386 T CB -0.474 68.615 68.868 0.368 0.000 0.872 386 T HN 0.251 nan 8.240 nan 0.000 0.446 387 A N 2.056 124.910 122.820 0.056 0.000 2.024 387 A HA -0.077 4.243 4.320 0.000 0.000 0.220 387 A C 2.184 179.771 177.584 0.004 0.000 1.164 387 A CA 1.153 53.199 52.037 0.015 0.000 0.643 387 A CB -0.651 18.308 19.000 -0.069 0.000 0.806 387 A HN 0.316 nan 8.150 nan 0.000 0.451 388 M N -0.150 119.433 119.600 -0.027 0.000 2.435 388 M HA -0.093 4.387 4.480 0.000 0.000 0.262 388 M C 0.292 176.645 176.300 0.088 0.000 1.065 388 M CA 1.116 56.399 55.300 -0.029 0.000 1.076 388 M CB -0.865 31.712 32.600 -0.039 0.000 1.403 388 M HN 0.286 nan 8.290 nan 0.000 0.454 389 D N -0.315 120.172 120.400 0.144 0.000 2.424 389 D HA 0.273 4.913 4.640 0.000 0.000 0.220 389 D C 0.098 176.572 176.300 0.291 0.000 1.150 389 D CA 0.139 54.275 54.000 0.226 0.000 0.831 389 D CB 0.533 41.449 40.800 0.193 0.000 0.981 389 D HN 0.295 nan 8.370 nan 0.000 0.500 390 M N 0.607 120.333 119.600 0.210 0.000 2.472 390 M HA 0.386 4.866 4.480 0.000 0.000 0.331 390 M C 0.141 176.442 176.300 0.003 0.000 1.170 390 M CA -0.695 54.666 55.300 0.103 0.000 1.009 390 M CB 2.635 35.275 32.600 0.068 0.000 1.672 390 M HN -0.292 nan 8.290 nan 0.000 0.453 391 I N 2.517 122.922 120.570 -0.275 0.000 2.471 391 I HA 0.088 4.258 4.170 0.000 0.000 0.286 391 I C -0.382 175.640 176.117 -0.159 0.000 1.079 391 I CA 0.046 61.073 61.300 -0.454 0.000 1.398 391 I CB 0.307 37.972 38.000 -0.558 0.000 1.403 391 I HN 0.706 nan 8.210 nan 0.000 0.530 392 D N 4.760 125.108 120.400 -0.087 0.000 2.566 392 D HA 0.642 5.282 4.640 0.000 0.000 0.254 392 D C -0.654 175.634 176.300 -0.019 0.000 1.090 392 D CA -0.858 53.125 54.000 -0.028 0.000 1.034 392 D CB 1.747 42.544 40.800 -0.004 0.000 1.434 392 D HN 0.429 nan 8.370 nan 0.000 0.509 393 A N 0.323 123.143 122.820 -0.000 0.000 3.154 393 A HA 0.755 5.075 4.320 0.000 0.000 0.310 393 A C 0.637 178.217 177.584 -0.008 0.000 1.093 393 A CA 0.140 52.175 52.037 -0.003 0.000 1.006 393 A CB -0.968 18.040 19.000 0.014 0.000 1.084 393 A HN 1.456 nan 8.150 nan 0.000 0.549 394 G N -0.626 108.167 108.800 -0.013 0.000 2.587 394 G HA2 0.282 4.242 3.960 0.000 0.000 0.686 394 G HA3 0.282 4.242 3.960 0.000 0.000 0.686 394 G C -1.190 173.706 174.900 -0.008 0.000 1.236 394 G CA -0.274 44.812 45.100 -0.022 0.000 0.820 394 G HN 1.483 nan 8.290 nan 0.000 0.645 395 L N 1.055 122.266 121.223 -0.020 0.000 2.513 395 L HA 0.898 5.238 4.340 0.000 0.000 0.261 395 L C -0.137 176.722 176.870 -0.019 0.000 0.945 395 L CA -1.156 53.670 54.840 -0.023 0.000 0.848 395 L CB 1.972 43.992 42.059 -0.066 0.000 1.334 395 L HN 1.008 nan 8.230 nan 0.000 0.407 396 M N 4.008 123.624 119.600 0.026 0.000 2.326 396 M HA 0.973 5.453 4.480 0.000 0.000 0.306 396 M C -0.943 175.406 176.300 0.081 0.000 1.054 396 M CA -0.513 54.834 55.300 0.079 0.000 0.922 396 M CB 1.966 34.690 32.600 0.207 0.000 1.632 396 M HN 0.604 nan 8.290 nan 0.000 0.436 397 A N 2.823 125.547 122.820 -0.161 0.000 2.608 397 A HA 0.870 5.190 4.320 0.000 0.000 0.292 397 A C -2.926 174.243 177.584 -0.691 0.000 1.066 397 A CA -1.080 50.717 52.037 -0.399 0.000 0.676 397 A CB 1.533 20.353 19.000 -0.300 0.000 1.277 397 A HN 0.666 nan 8.150 nan 0.000 0.413 398 P HA 0.169 nan 4.420 nan 0.000 0.220 398 P C 0.813 177.977 177.300 -0.227 0.000 1.806 398 P CA 0.400 63.166 63.100 -0.557 0.000 0.976 398 P CB -0.107 31.292 31.700 -0.501 0.000 1.952 399 G N 0.036 108.731 108.800 -0.175 0.000 2.776 399 G HA2 -0.221 3.739 3.960 0.000 0.000 0.209 399 G HA3 -0.221 3.739 3.960 0.000 0.000 0.209 399 G C 0.745 175.766 174.900 0.203 0.000 1.145 399 G CA 0.374 45.476 45.100 0.003 0.000 0.791 399 G HN 0.355 nan 8.290 nan 0.000 0.530 400 Y N -1.573 118.735 120.300 0.014 0.000 2.921 400 Y HA 0.237 4.788 4.550 0.001 0.000 0.246 400 Y C 1.962 177.902 175.900 0.066 0.000 1.030 400 Y CA -0.405 57.726 58.100 0.052 0.000 1.338 400 Y CB -0.482 38.020 38.460 0.069 0.000 1.493 400 Y HN 0.028 nan 8.280 nan 0.000 0.452 401 Y N 2.155 122.203 120.300 -0.419 0.000 2.274 401 Y HA 0.101 4.651 4.550 0.000 0.000 0.290 401 Y C 1.841 177.598 175.900 -0.237 0.000 1.145 401 Y CA 2.125 59.953 58.100 -0.453 0.000 1.203 401 Y CB -0.663 37.630 38.460 -0.278 0.000 0.984 401 Y HN 0.375 nan 8.280 nan 0.000 0.533 402 A N -0.356 122.366 122.820 -0.164 0.000 2.832 402 A HA -0.188 4.132 4.320 0.000 0.000 0.280 402 A C 0.929 178.394 177.584 -0.199 0.000 1.464 402 A CA 0.737 52.674 52.037 -0.167 0.000 0.804 402 A CB -2.213 16.696 19.000 -0.151 0.000 1.020 402 A HN 0.867 nan 8.150 nan 0.000 0.563 403 G N -0.660 108.080 108.800 -0.100 0.000 2.339 403 G HA2 0.532 4.492 3.960 0.000 0.000 0.287 403 G HA3 0.532 4.492 3.960 0.000 0.000 0.287 403 G C 0.120 175.029 174.900 0.014 0.000 1.163 403 G CA -0.266 44.836 45.100 0.004 0.000 0.872 403 G HN 0.529 nan 8.290 nan 0.000 0.464 404 M N 1.534 121.119 119.600 -0.025 0.000 2.245 404 M HA 0.377 4.857 4.480 0.000 0.000 0.330 404 M C 1.483 177.760 176.300 -0.039 0.000 1.098 404 M CA 1.676 56.947 55.300 -0.050 0.000 1.172 404 M CB 1.019 33.586 32.600 -0.054 0.000 1.467 404 M HN 0.902 nan 8.290 nan 0.000 0.454 405 G N 0.901 109.618 108.800 -0.138 0.000 2.238 405 G HA2 -0.277 3.684 3.960 0.000 0.000 0.217 405 G HA3 -0.277 3.684 3.960 0.000 0.000 0.217 405 G C 0.513 175.051 174.900 -0.603 0.000 0.996 405 G CA 0.294 45.286 45.100 -0.180 0.000 0.632 405 G HN 0.728 nan 8.290 nan 0.000 0.503 406 F N 2.376 121.687 119.950 -1.065 0.000 2.126 406 F HA 0.143 4.671 4.527 0.000 0.000 0.299 406 F C 2.498 177.906 175.800 -0.653 0.000 1.096 406 F CA 2.911 60.109 58.000 -1.335 0.000 1.255 406 F CB -0.511 38.004 39.000 -0.808 0.000 0.997 406 F HN 0.239 nan 8.300 nan 0.000 0.479 407 G N 0.231 108.861 108.800 -0.284 0.000 2.586 407 G HA2 -0.307 3.653 3.960 0.000 0.000 0.218 407 G HA3 -0.307 3.653 3.960 0.000 0.000 0.218 407 G C 1.748 176.455 174.900 -0.322 0.000 1.216 407 G CA 1.710 46.666 45.100 -0.240 0.000 0.786 407 G HN 0.334 nan 8.290 nan 0.000 0.583 408 V N 2.165 121.880 119.914 -0.333 0.000 2.295 408 V HA -0.099 4.022 4.120 0.000 0.000 0.246 408 V C 0.345 176.244 176.094 -0.325 0.000 1.049 408 V CA 2.310 64.413 62.300 -0.328 0.000 1.024 408 V CB -1.026 30.540 31.823 -0.428 0.000 0.648 408 V HN 0.302 nan 8.190 nan 0.000 0.447 409 P HA -0.112 nan 4.420 nan 0.000 0.218 409 P C 1.629 178.692 177.300 -0.396 0.000 1.149 409 P CA 1.826 64.754 63.100 -0.286 0.000 0.817 409 P CB -0.105 31.516 31.700 -0.131 0.000 0.785 410 A N -0.130 122.342 122.820 -0.581 0.000 1.898 410 A HA -0.042 4.278 4.320 0.000 0.000 0.216 410 A C 2.485 179.848 177.584 -0.369 0.000 1.181 410 A CA 1.959 53.608 52.037 -0.648 0.000 0.620 410 A CB -1.875 16.439 19.000 -1.144 0.000 0.819 410 A HN 0.260 nan 8.150 nan 0.000 0.442 411 G N 0.010 108.631 108.800 -0.298 0.000 2.418 411 G HA2 -0.196 3.764 3.960 0.000 0.000 0.217 411 G HA3 -0.196 3.764 3.960 0.000 0.000 0.217 411 G C 1.532 176.313 174.900 -0.199 0.000 1.158 411 G CA 1.140 46.121 45.100 -0.198 0.000 0.771 411 G HN 0.469 nan 8.290 nan 0.000 0.545 412 I N 1.134 121.571 120.570 -0.223 0.000 2.179 412 I HA -0.091 4.079 4.170 0.000 0.000 0.242 412 I C 3.112 179.115 176.117 -0.191 0.000 1.088 412 I CA 1.089 62.278 61.300 -0.186 0.000 1.357 412 I CB -0.494 37.400 38.000 -0.176 0.000 1.051 412 I HN 0.251 nan 8.210 nan 0.000 0.409 413 G N 0.399 109.017 108.800 -0.304 0.000 2.440 413 G HA2 -0.264 3.696 3.960 0.000 0.000 0.218 413 G HA3 -0.264 3.696 3.960 0.000 0.000 0.218 413 G C 1.846 176.650 174.900 -0.160 0.000 1.154 413 G CA 0.891 45.774 45.100 -0.362 0.000 0.767 413 G HN 0.500 nan 8.290 nan 0.000 0.552 414 A N 0.227 122.907 122.820 -0.233 0.000 1.877 414 A HA -0.113 4.208 4.320 0.000 0.000 0.216 414 A C 2.295 179.601 177.584 -0.462 0.000 1.186 414 A CA 2.080 53.899 52.037 -0.363 0.000 0.620 414 A CB -0.547 18.309 19.000 -0.240 0.000 0.822 414 A HN 0.455 nan 8.150 nan 0.000 0.443 415 Q N -1.076 118.560 119.800 -0.274 0.000 2.224 415 Q HA -0.155 4.185 4.340 0.000 0.000 0.203 415 Q C 1.921 177.813 176.000 -0.180 0.000 0.970 415 Q CA 1.539 57.212 55.803 -0.217 0.000 0.865 415 Q CB -0.399 28.259 28.738 -0.133 0.000 0.922 415 Q HN 0.694 nan 8.270 nan 0.000 0.445 416 C N -0.520 118.692 119.300 -0.147 0.000 2.419 416 C HA -0.062 4.398 4.460 0.000 0.000 0.281 416 C C 2.012 176.958 174.990 -0.073 0.000 1.336 416 C CA 0.935 59.867 59.018 -0.144 0.000 1.770 416 C CB -0.577 27.070 27.740 -0.155 0.000 1.929 416 C HN 0.614 nan 8.230 nan 0.000 0.509 417 V N -1.026 118.821 119.914 -0.111 0.000 3.176 417 V HA 0.253 4.373 4.120 0.000 0.000 0.332 417 V C 1.401 177.405 176.094 -0.151 0.000 1.414 417 V CA 0.942 63.199 62.300 -0.073 0.000 1.133 417 V CB -0.649 31.180 31.823 0.011 0.000 1.088 417 V HN 0.417 nan 8.190 nan 0.000 0.473 418 S N 0.188 115.738 115.700 -0.251 0.000 2.593 418 S HA 0.322 4.792 4.470 0.000 0.000 0.217 418 S C 1.726 176.348 174.600 0.035 0.000 0.966 418 S CA 0.726 58.832 58.200 -0.156 0.000 0.914 418 S CB -0.257 62.809 63.200 -0.223 0.000 0.776 418 S HN 1.956 nan 8.310 nan 0.000 0.523 419 G N 0.546 109.356 108.800 0.017 0.000 2.249 419 G HA2 0.081 4.042 3.960 0.000 0.000 0.273 419 G HA3 0.081 4.042 3.960 0.000 0.000 0.273 419 G C 1.048 175.966 174.900 0.030 0.000 1.036 419 G CA 0.433 45.554 45.100 0.036 0.000 0.824 419 G HN 1.843 nan 8.290 nan 0.000 0.504 420 G N -1.536 107.272 108.800 0.013 0.000 2.238 420 G HA2 -0.215 3.745 3.960 0.000 0.000 0.217 420 G HA3 -0.215 3.745 3.960 0.000 0.000 0.217 420 G C 0.427 175.340 174.900 0.023 0.000 0.996 420 G CA 0.604 45.713 45.100 0.016 0.000 0.632 420 G HN 0.959 nan 8.290 nan 0.000 0.503 421 K N 1.571 121.993 120.400 0.037 0.000 2.368 421 K HA 0.402 4.722 4.320 0.000 0.000 0.282 421 K C 0.752 177.368 176.600 0.027 0.000 1.035 421 K CA -0.262 56.058 56.287 0.054 0.000 0.973 421 K CB 0.612 33.173 32.500 0.102 0.000 0.957 421 K HN 0.307 nan 8.250 nan 0.000 0.474 422 R N 2.138 122.655 120.500 0.028 0.000 2.582 422 R HA 0.288 4.629 4.340 0.000 0.000 0.271 422 R C 0.096 176.398 176.300 0.004 0.000 1.078 422 R CA -0.589 55.506 56.100 -0.009 0.000 1.127 422 R CB 0.482 30.753 30.300 -0.048 0.000 1.038 422 R HN 0.351 nan 8.270 nan 0.000 0.500 423 I N 2.815 123.368 120.570 -0.028 0.000 2.493 423 I HA 0.233 4.403 4.170 0.000 0.000 0.298 423 I C -0.343 175.757 176.117 -0.028 0.000 0.998 423 I CA -1.112 60.180 61.300 -0.013 0.000 1.137 423 I CB 1.414 39.387 38.000 -0.045 0.000 1.310 423 I HN 0.400 nan 8.210 nan 0.000 0.445 424 L N 5.832 127.059 121.223 0.006 0.000 2.272 424 L HA 0.519 4.859 4.340 0.000 0.000 0.289 424 L C -0.168 176.703 176.870 0.001 0.000 1.032 424 L CA 0.407 55.252 54.840 0.009 0.000 0.810 424 L CB 1.161 43.264 42.059 0.073 0.000 1.205 424 L HN 0.598 nan 8.230 nan 0.000 0.422 425 T N 5.150 119.695 114.554 -0.014 0.000 2.797 425 T HA 0.622 4.972 4.350 0.000 0.000 0.279 425 T C -0.639 174.056 174.700 -0.007 0.000 0.991 425 T CA -0.434 61.646 62.100 -0.034 0.000 0.979 425 T CB 1.361 70.185 68.868 -0.074 0.000 0.943 425 T HN 0.537 nan 8.240 nan 0.000 0.444 426 V N 1.483 121.374 119.914 -0.040 0.000 2.495 426 V HA 0.983 5.103 4.120 0.000 0.000 0.298 426 V C -0.427 175.547 176.094 -0.199 0.000 1.031 426 V CA -0.838 61.418 62.300 -0.073 0.000 0.871 426 V CB 1.383 33.143 31.823 -0.105 0.000 0.988 426 V HN 0.703 nan 8.190 nan 0.000 0.432 427 V N 3.253 123.037 119.914 -0.217 0.000 3.077 427 V HA 0.896 5.017 4.120 0.000 0.000 0.299 427 V C 0.376 176.372 176.094 -0.163 0.000 1.276 427 V CA 0.496 62.678 62.300 -0.197 0.000 0.993 427 V CB 2.152 33.914 31.823 -0.101 0.000 1.076 427 V HN 1.454 nan 8.190 nan 0.000 0.434 428 G N 2.489 111.208 108.800 -0.136 0.000 2.547 428 G HA2 0.385 4.345 3.960 0.000 0.000 0.291 428 G HA3 0.385 4.345 3.960 0.000 0.000 0.291 428 G C 0.591 175.466 174.900 -0.041 0.000 1.211 428 G CA 0.365 45.449 45.100 -0.026 0.000 0.950 428 G HN 0.956 nan 8.290 nan 0.000 0.504 429 D N -0.398 120.002 120.400 -0.000 0.000 2.144 429 D HA -0.097 4.543 4.640 0.000 0.000 0.200 429 D C 2.188 178.471 176.300 -0.029 0.000 0.978 429 D CA 1.305 55.269 54.000 -0.061 0.000 0.833 429 D CB -0.854 40.036 40.800 0.151 0.000 0.961 429 D HN 0.471 nan 8.370 nan 0.000 0.470 430 G N 1.222 110.089 108.800 0.112 0.000 2.459 430 G HA2 -0.188 3.772 3.960 0.000 0.000 0.217 430 G HA3 -0.188 3.772 3.960 0.000 0.000 0.217 430 G C 1.896 176.890 174.900 0.157 0.000 1.183 430 G CA 1.873 47.149 45.100 0.294 0.000 0.776 430 G HN 0.510 nan 8.290 nan 0.000 0.552 431 A N 0.076 122.931 122.820 0.058 0.000 1.933 431 A HA 0.073 4.393 4.320 0.000 0.000 0.218 431 A C 2.210 179.703 177.584 -0.151 0.000 1.175 431 A CA 1.525 53.538 52.037 -0.040 0.000 0.628 431 A CB -0.565 18.387 19.000 -0.080 0.000 0.814 431 A HN 0.374 nan 8.150 nan 0.000 0.444 432 F N 0.616 120.343 119.950 -0.371 0.000 2.171 432 F HA -0.213 4.314 4.527 0.000 0.000 0.300 432 F C 2.510 177.909 175.800 -0.669 0.000 1.090 432 F CA 2.115 59.732 58.000 -0.639 0.000 1.293 432 F CB -0.172 38.232 39.000 -0.993 0.000 1.013 432 F HN 0.306 nan 8.300 nan 0.000 0.486 433 Q N -0.543 119.146 119.800 -0.185 0.000 2.226 433 Q HA -0.209 4.131 4.340 0.000 0.000 0.204 433 Q C 2.082 178.249 176.000 0.278 0.000 0.975 433 Q CA 1.658 57.507 55.803 0.078 0.000 0.866 433 Q CB -0.116 28.543 28.738 -0.132 0.000 0.915 433 Q HN 0.524 nan 8.270 nan 0.000 0.440 434 M N -0.909 118.729 119.600 0.064 0.000 2.171 434 M HA -0.055 4.425 4.480 0.000 0.000 0.260 434 M C 1.855 178.222 176.300 0.111 0.000 1.087 434 M CA 1.725 57.108 55.300 0.138 0.000 1.154 434 M CB 0.169 32.821 32.600 0.087 0.000 1.331 434 M HN 0.192 nan 8.290 nan 0.000 0.431 435 T N -4.335 110.127 114.554 -0.154 0.000 3.087 435 T HA 0.259 4.609 4.350 0.000 0.000 0.283 435 T C 1.496 175.847 174.700 -0.581 0.000 0.956 435 T CA 0.262 62.250 62.100 -0.187 0.000 0.894 435 T CB -0.128 68.692 68.868 -0.080 0.000 1.160 435 T HN 0.357 nan 8.240 nan 0.000 0.532 436 G N 0.985 109.027 108.800 -1.262 0.000 2.470 436 G HA2 -0.094 3.866 3.960 0.000 0.000 0.220 436 G HA3 -0.094 3.866 3.960 0.000 0.000 0.220 436 G C 1.009 174.993 174.900 -1.527 0.000 1.121 436 G CA 0.333 44.155 45.100 -2.129 0.000 0.766 436 G HN 0.702 nan 8.290 nan 0.000 0.553 437 W N 1.019 121.975 121.300 -0.574 0.000 2.468 437 W HA 0.070 4.730 4.660 0.000 0.000 0.262 437 W C 2.144 178.566 176.519 -0.162 0.000 1.241 437 W CA 0.346 57.571 57.345 -0.201 0.000 1.232 437 W CB 0.115 29.548 29.460 -0.044 0.000 1.124 437 W HN 0.127 nan 8.180 nan 0.000 0.597 438 E N 0.792 120.943 120.200 -0.083 0.000 2.333 438 E HA -0.144 4.206 4.350 0.000 0.000 0.198 438 E C 1.928 178.460 176.600 -0.113 0.000 1.007 438 E CA 0.826 57.194 56.400 -0.052 0.000 0.845 438 E CB -0.558 29.091 29.700 -0.086 0.000 0.766 438 E HN 0.472 nan 8.360 nan 0.000 0.507 439 L N 0.091 121.156 121.223 -0.263 0.000 2.353 439 L HA -0.095 4.245 4.340 0.000 0.000 0.220 439 L C 2.243 179.030 176.870 -0.137 0.000 1.133 439 L CA 0.897 55.479 54.840 -0.430 0.000 0.798 439 L CB -0.477 40.964 42.059 -1.029 0.000 0.922 439 L HN 0.141 nan 8.230 nan 0.000 0.445 440 G N -0.590 108.244 108.800 0.057 0.000 2.625 440 G HA2 -0.193 3.767 3.960 0.000 0.000 0.214 440 G HA3 -0.193 3.767 3.960 0.000 0.000 0.214 440 G C 1.274 176.271 174.900 0.162 0.000 1.132 440 G CA 0.277 45.499 45.100 0.203 0.000 0.782 440 G HN 0.374 nan 8.290 nan 0.000 0.538 441 N N -0.426 118.335 118.700 0.103 0.000 2.299 441 N HA -0.019 4.721 4.740 0.000 0.000 0.187 441 N C 1.827 177.392 175.510 0.092 0.000 1.099 441 N CA 0.055 53.161 53.050 0.094 0.000 0.867 441 N CB 0.078 38.611 38.487 0.077 0.000 0.974 441 N HN 0.183 nan 8.380 nan 0.000 0.477 442 C N 1.444 120.811 119.300 0.112 0.000 2.401 442 C HA -0.174 4.286 4.460 0.000 0.000 0.276 442 C C 3.210 178.267 174.990 0.112 0.000 1.233 442 C CA 1.711 60.800 59.018 0.119 0.000 1.753 442 C CB -1.193 26.684 27.740 0.230 0.000 2.029 442 C HN 0.613 nan 8.230 nan 0.000 0.478 443 R N 0.689 121.270 120.500 0.135 0.000 2.083 443 R HA -0.154 4.187 4.340 0.000 0.000 0.237 443 R C 2.131 178.473 176.300 0.069 0.000 1.137 443 R CA 2.071 58.225 56.100 0.091 0.000 0.951 443 R CB -1.078 29.274 30.300 0.088 0.000 0.851 443 R HN 0.736 nan 8.270 nan 0.000 0.434 444 R N 0.037 120.583 120.500 0.076 0.000 2.092 444 R HA 0.100 4.441 4.340 0.000 0.000 0.231 444 R C 2.324 178.663 176.300 0.066 0.000 1.119 444 R CA 1.404 57.545 56.100 0.070 0.000 0.970 444 R CB -0.328 30.020 30.300 0.079 0.000 0.864 444 R HN 0.480 nan 8.270 nan 0.000 0.440 445 L N -0.335 120.921 121.223 0.054 0.000 2.376 445 L HA 0.118 4.459 4.340 0.000 0.000 0.219 445 L C 1.063 177.929 176.870 -0.006 0.000 1.133 445 L CA 0.709 55.556 54.840 0.011 0.000 0.816 445 L CB -0.081 41.951 42.059 -0.044 0.000 0.933 445 L HN 0.598 nan 8.230 nan 0.000 0.449 446 G N 1.584 110.395 108.800 0.018 0.000 2.248 446 G HA2 -0.256 3.704 3.960 0.000 0.000 0.263 446 G HA3 -0.256 3.704 3.960 0.000 0.000 0.263 446 G C -0.007 174.893 174.900 -0.000 0.000 1.082 446 G CA 0.445 45.554 45.100 0.014 0.000 0.863 446 G HN 0.466 nan 8.290 nan 0.000 0.495 447 I N -3.211 117.363 120.570 0.007 0.000 2.892 447 I HA 0.867 5.037 4.170 0.000 0.000 0.306 447 I C -0.727 175.411 176.117 0.036 0.000 1.078 447 I CA -1.310 59.989 61.300 -0.002 0.000 1.032 447 I CB 2.537 40.516 38.000 -0.035 0.000 1.229 447 I HN 0.000 nan 8.210 nan 0.000 0.435 448 D N 1.809 122.223 120.400 0.023 0.000 2.772 448 D HA 0.337 4.977 4.640 0.000 0.000 0.326 448 D C -2.822 173.493 176.300 0.024 0.000 1.207 448 D CA -1.571 52.458 54.000 0.048 0.000 0.777 448 D CB 0.491 41.299 40.800 0.012 0.000 1.169 448 D HN 0.312 nan 8.370 nan 0.000 0.506 449 P HA 0.155 nan 4.420 nan 0.000 0.269 449 P C 0.098 177.395 177.300 -0.004 0.000 1.215 449 P CA -0.306 62.783 63.100 -0.019 0.000 0.780 449 P CB 1.501 33.175 31.700 -0.044 0.000 0.898 450 I N 1.653 122.176 120.570 -0.079 0.000 2.321 450 I HA 0.229 4.400 4.170 0.000 0.000 0.291 450 I C -0.041 176.059 176.117 -0.030 0.000 0.998 450 I CA -0.800 60.444 61.300 -0.093 0.000 1.227 450 I CB 1.500 39.331 38.000 -0.282 0.000 1.368 450 I HN -0.003 nan 8.210 nan 0.000 0.466 451 V N 7.724 127.653 119.914 0.025 0.000 2.444 451 V HA 0.432 4.552 4.120 0.000 0.000 0.294 451 V C -0.021 176.106 176.094 0.055 0.000 1.022 451 V CA -0.501 61.818 62.300 0.032 0.000 0.850 451 V CB 1.874 33.715 31.823 0.031 0.000 0.992 451 V HN 0.478 nan 8.190 nan 0.000 0.426 452 I N 5.732 126.356 120.570 0.090 0.000 2.307 452 I HA 0.393 4.563 4.170 0.000 0.000 0.289 452 I C -0.352 175.898 176.117 0.221 0.000 1.021 452 I CA -0.280 61.109 61.300 0.148 0.000 1.224 452 I CB 1.409 39.545 38.000 0.227 0.000 1.376 452 I HN 0.433 nan 8.210 nan 0.000 0.470 453 L N 7.226 128.518 121.223 0.117 0.000 2.257 453 L HA 0.463 4.803 4.340 0.000 0.000 0.290 453 L C -0.771 176.237 176.870 0.230 0.000 1.044 453 L CA -0.405 54.478 54.840 0.071 0.000 0.810 453 L CB 0.582 42.479 42.059 -0.270 0.000 1.193 453 L HN 0.446 nan 8.230 nan 0.000 0.425 454 F N 4.326 124.242 119.950 -0.058 0.000 2.464 454 F HA 0.167 4.695 4.527 0.000 0.000 0.353 454 F C 0.662 176.463 175.800 0.001 0.000 1.191 454 F CA -0.567 57.427 58.000 -0.009 0.000 1.147 454 F CB 0.317 39.327 39.000 0.018 0.000 1.294 454 F HN 0.529 nan 8.300 nan 0.000 0.583 455 N N 3.843 122.639 118.700 0.160 0.000 2.527 455 N HA 0.067 4.807 4.740 0.000 0.000 0.236 455 N C -0.137 175.451 175.510 0.130 0.000 0.999 455 N CA -0.372 52.773 53.050 0.159 0.000 0.935 455 N CB 0.276 38.879 38.487 0.193 0.000 1.132 455 N HN 0.469 nan 8.380 nan 0.000 0.511 456 N N 2.271 121.051 118.700 0.133 0.000 2.234 456 N HA 0.146 4.887 4.740 0.000 0.000 0.227 456 N C 0.099 175.662 175.510 0.088 0.000 1.151 456 N CA -0.140 52.972 53.050 0.102 0.000 0.865 456 N CB 0.113 38.665 38.487 0.108 0.000 1.066 456 N HN 0.339 nan 8.380 nan 0.000 0.515 457 A N -0.599 122.282 122.820 0.103 0.000 2.511 457 A HA -0.020 4.301 4.320 0.000 0.000 0.297 457 A C 0.341 177.939 177.584 0.023 0.000 1.476 457 A CA 1.083 53.169 52.037 0.083 0.000 0.757 457 A CB -2.035 17.015 19.000 0.084 0.000 1.072 457 A HN 1.008 nan 8.150 nan 0.000 0.413 458 S N -1.079 114.628 115.700 0.010 0.000 2.597 458 S HA 0.540 5.010 4.470 0.000 0.000 0.274 458 S C -1.400 173.263 174.600 0.106 0.000 1.132 458 S CA -0.399 57.800 58.200 -0.001 0.000 0.835 458 S CB 0.494 63.732 63.200 0.063 0.000 1.092 458 S HN 1.022 nan 8.310 nan 0.000 0.457 459 W N 3.182 124.546 121.300 0.106 0.000 1.828 459 W HA 0.362 5.022 4.660 0.000 0.000 0.369 459 W C 1.113 177.694 176.519 0.103 0.000 0.764 459 W CA -0.590 56.817 57.345 0.104 0.000 1.660 459 W CB 0.226 29.762 29.460 0.127 0.000 1.843 459 W HN 0.938 nan 8.180 nan 0.000 0.286 460 E N 1.441 121.805 120.200 0.274 0.000 2.085 460 E HA -0.218 4.132 4.350 0.000 0.000 0.194 460 E C 2.112 178.817 176.600 0.176 0.000 0.994 460 E CA 1.680 58.191 56.400 0.185 0.000 0.801 460 E CB -0.060 29.725 29.700 0.141 0.000 0.743 460 E HN 0.322 nan 8.360 nan 0.000 0.453 461 M N -0.481 119.235 119.600 0.194 0.000 2.149 461 M HA -0.193 4.287 4.480 0.000 0.000 0.261 461 M C 2.006 178.523 176.300 0.362 0.000 1.064 461 M CA 1.302 56.733 55.300 0.218 0.000 1.102 461 M CB -0.225 32.513 32.600 0.229 0.000 1.369 461 M HN 0.198 nan 8.290 nan 0.000 0.408 462 L N -1.208 120.203 121.223 0.313 0.000 2.156 462 L HA -0.169 4.171 4.340 0.000 0.000 0.208 462 L C 2.595 179.630 176.870 0.276 0.000 1.095 462 L CA 0.921 55.952 54.840 0.319 0.000 0.770 462 L CB -0.740 41.477 42.059 0.263 0.000 0.914 462 L HN 0.336 nan 8.230 nan 0.000 0.439 463 R N 0.256 120.879 120.500 0.206 0.000 2.081 463 R HA -0.152 4.188 4.340 0.000 0.000 0.235 463 R C 2.177 178.522 176.300 0.074 0.000 1.131 463 R CA 2.036 58.200 56.100 0.106 0.000 0.960 463 R CB -0.293 30.056 30.300 0.081 0.000 0.856 463 R HN 0.234 nan 8.270 nan 0.000 0.436 464 T N 0.539 115.130 114.554 0.060 0.000 2.759 464 T HA -0.146 4.204 4.350 0.000 0.000 0.269 464 T C 1.415 176.055 174.700 -0.100 0.000 1.042 464 T CA 1.599 63.664 62.100 -0.057 0.000 1.140 464 T CB -0.294 68.487 68.868 -0.144 0.000 0.864 464 T HN 0.188 nan 8.240 nan 0.000 0.455 465 F N 0.941 120.886 119.950 -0.009 0.000 2.259 465 F HA 0.106 4.633 4.527 0.000 0.000 0.298 465 F C 1.823 177.616 175.800 -0.012 0.000 1.088 465 F CA 0.626 58.615 58.000 -0.018 0.000 1.358 465 F CB 0.186 39.187 39.000 0.001 0.000 1.040 465 F HN 0.118 nan 8.300 nan 0.000 0.505 466 Q N 0.368 120.271 119.800 0.171 0.000 3.825 466 Q HA 0.146 4.487 4.340 0.000 0.000 0.218 466 Q C -2.218 173.786 176.000 0.008 0.000 0.882 466 Q CA -1.283 54.569 55.803 0.083 0.000 0.766 466 Q CB 1.031 29.835 28.738 0.110 0.000 1.497 466 Q HN -0.049 nan 8.270 nan 0.000 0.428 467 P HA -0.207 nan 4.420 nan 0.000 0.225 467 P C 0.752 178.018 177.300 -0.056 0.000 1.148 467 P CA 1.078 64.160 63.100 -0.030 0.000 0.779 467 P CB 0.343 32.029 31.700 -0.023 0.000 0.780 468 E N 0.131 120.297 120.200 -0.057 0.000 2.152 468 E HA -0.030 4.320 4.350 0.000 0.000 0.192 468 E C 0.557 177.090 176.600 -0.112 0.000 0.983 468 E CA 0.422 56.785 56.400 -0.062 0.000 0.818 468 E CB -0.920 28.759 29.700 -0.036 0.000 0.758 468 E HN 0.100 nan 8.360 nan 0.000 0.467 469 S N 0.730 116.309 115.700 -0.202 0.000 2.572 469 S HA 0.330 4.801 4.470 0.000 0.000 0.279 469 S C 0.790 175.152 174.600 -0.398 0.000 1.341 469 S CA 0.142 58.097 58.200 -0.408 0.000 1.043 469 S CB 1.444 64.107 63.200 -0.895 0.000 0.887 469 S HN 0.480 nan 8.310 nan 0.000 0.516 470 A N 1.749 124.368 122.820 -0.335 0.000 2.197 470 A HA 0.220 4.540 4.320 0.000 0.000 0.210 470 A C 1.260 178.795 177.584 -0.082 0.000 1.180 470 A CA -0.060 51.884 52.037 -0.155 0.000 0.846 470 A CB -0.413 18.563 19.000 -0.040 0.000 0.884 470 A HN 0.811 nan 8.150 nan 0.000 0.487 471 F N 0.067 120.078 119.950 0.102 0.000 2.771 471 F HA 0.112 4.639 4.527 0.000 0.000 0.299 471 F C 0.923 176.846 175.800 0.204 0.000 1.177 471 F CA 0.559 58.644 58.000 0.142 0.000 1.450 471 F CB -1.494 37.610 39.000 0.174 0.000 1.114 471 F HN 0.176 nan 8.300 nan 0.000 0.587 472 N N -0.362 118.461 118.700 0.206 0.000 2.336 472 N HA -0.036 4.704 4.740 0.000 0.000 0.189 472 N C -0.590 174.963 175.510 0.071 0.000 1.113 472 N CA -0.076 53.182 53.050 0.346 0.000 0.858 472 N CB -0.081 38.559 38.487 0.255 0.000 0.970 472 N HN 0.132 nan 8.380 nan 0.000 0.471 473 D N 1.034 121.434 120.400 -0.000 0.000 2.351 473 D HA 0.217 4.858 4.640 0.000 0.000 0.251 473 D C -0.163 176.060 176.300 -0.129 0.000 1.137 473 D CA 0.321 54.293 54.000 -0.047 0.000 0.879 473 D CB 1.126 41.916 40.800 -0.017 0.000 1.181 473 D HN 0.054 nan 8.370 nan 0.000 0.448 474 L N 1.530 122.674 121.223 -0.132 0.000 2.303 474 L HA 0.407 4.748 4.340 0.000 0.000 0.266 474 L C 0.367 177.261 176.870 0.040 0.000 1.011 474 L CA -1.157 53.614 54.840 -0.116 0.000 0.818 474 L CB 1.568 43.492 42.059 -0.225 0.000 1.326 474 L HN 0.125 nan 8.230 nan 0.000 0.435 475 D N -0.127 120.366 120.400 0.153 0.000 2.377 475 D HA 0.106 4.746 4.640 0.000 0.000 0.245 475 D C -0.645 175.802 176.300 0.244 0.000 1.196 475 D CA 0.108 54.188 54.000 0.133 0.000 0.962 475 D CB 0.726 41.542 40.800 0.027 0.000 1.127 475 D HN 0.396 nan 8.370 nan 0.000 0.471 476 D N 0.607 121.080 120.400 0.121 0.000 2.456 476 D HA 0.127 4.767 4.640 0.000 0.000 0.219 476 D C -1.023 175.320 176.300 0.070 0.000 1.126 476 D CA -0.585 53.488 54.000 0.123 0.000 0.890 476 D CB -0.023 40.805 40.800 0.047 0.000 1.025 476 D HN 0.121 nan 8.370 nan 0.000 0.511 477 W N 3.500 124.624 121.300 -0.293 0.000 2.238 477 W HA 0.321 4.981 4.660 0.001 0.000 0.321 477 W C 0.812 176.944 176.519 -0.644 0.000 1.293 477 W CA -0.792 56.214 57.345 -0.566 0.000 1.204 477 W CB 0.626 29.447 29.460 -1.065 0.000 1.167 477 W HN 0.116 nan 8.180 nan 0.000 0.553 478 R N 4.464 124.834 120.500 -0.217 0.000 3.235 478 R HA 0.115 4.456 4.340 0.000 0.000 0.232 478 R C 0.647 176.927 176.300 -0.033 0.000 1.475 478 R CA -0.379 55.661 56.100 -0.100 0.000 1.405 478 R CB -1.053 29.227 30.300 -0.034 0.000 1.266 478 R HN 0.469 nan 8.270 nan 0.000 0.650 479 F N 0.950 120.975 119.950 0.124 0.000 2.134 479 F HA -0.193 4.335 4.527 0.000 0.000 0.299 479 F C 2.431 178.250 175.800 0.033 0.000 1.097 479 F CA 1.558 59.576 58.000 0.030 0.000 1.264 479 F CB -0.564 38.252 39.000 -0.308 0.000 1.001 479 F HN 0.404 nan 8.300 nan 0.000 0.479 480 A N 0.014 122.949 122.820 0.192 0.000 1.902 480 A HA -0.186 4.134 4.320 0.000 0.000 0.217 480 A C 1.968 179.633 177.584 0.136 0.000 1.181 480 A CA 2.009 54.128 52.037 0.137 0.000 0.623 480 A CB -0.824 18.228 19.000 0.088 0.000 0.818 480 A HN 0.283 nan 8.150 nan 0.000 0.443 481 D N -0.428 120.043 120.400 0.118 0.000 2.178 481 D HA -0.102 4.538 4.640 0.000 0.000 0.201 481 D C 1.804 178.189 176.300 0.142 0.000 0.980 481 D CA 1.220 55.279 54.000 0.099 0.000 0.842 481 D CB -0.284 40.554 40.800 0.064 0.000 0.948 481 D HN 0.521 nan 8.370 nan 0.000 0.472 482 M N 0.031 119.762 119.600 0.218 0.000 2.558 482 M HA 0.117 4.597 4.480 0.000 0.000 0.255 482 M C 2.082 178.591 176.300 0.349 0.000 1.113 482 M CA 0.120 55.599 55.300 0.299 0.000 1.097 482 M CB 0.262 33.136 32.600 0.456 0.000 1.426 482 M HN -0.080 nan 8.290 nan 0.000 0.488 483 A N 1.019 124.033 122.820 0.322 0.000 1.908 483 A HA -0.120 4.201 4.320 0.000 0.000 0.218 483 A C 2.410 180.136 177.584 0.236 0.000 1.181 483 A CA 2.044 54.306 52.037 0.376 0.000 0.627 483 A CB -0.847 18.326 19.000 0.288 0.000 0.818 483 A HN 0.479 nan 8.150 nan 0.000 0.445 484 A N -0.485 122.411 122.820 0.127 0.000 1.908 484 A HA 0.059 4.379 4.320 0.000 0.000 0.218 484 A C 2.421 180.067 177.584 0.103 0.000 1.181 484 A CA 2.007 54.081 52.037 0.062 0.000 0.627 484 A CB -1.462 17.565 19.000 0.045 0.000 0.818 484 A HN 0.848 nan 8.150 nan 0.000 0.445 485 G N -1.065 107.825 108.800 0.151 0.000 2.462 485 G HA2 -0.166 3.794 3.960 0.000 0.000 0.220 485 G HA3 -0.166 3.794 3.960 0.000 0.000 0.220 485 G C 1.386 176.399 174.900 0.189 0.000 1.121 485 G CA 1.089 46.279 45.100 0.151 0.000 0.758 485 G HN 0.512 nan 8.290 nan 0.000 0.559 486 M N 0.167 119.934 119.600 0.279 0.000 2.431 486 M HA 0.268 4.748 4.480 0.000 0.000 0.237 486 M C 1.593 178.100 176.300 0.345 0.000 1.130 486 M CA 0.527 56.041 55.300 0.356 0.000 1.002 486 M CB 0.763 33.677 32.600 0.524 0.000 1.524 486 M HN 0.305 nan 8.290 nan 0.000 0.482 487 G N 0.674 109.570 108.800 0.160 0.000 2.136 487 G HA2 -0.171 3.789 3.960 0.000 0.000 0.242 487 G HA3 -0.171 3.789 3.960 0.000 0.000 0.242 487 G C 0.101 174.855 174.900 -0.242 0.000 0.989 487 G CA -0.107 45.013 45.100 0.033 0.000 0.682 487 G HN 0.616 nan 8.290 nan 0.000 0.522 488 G N -1.201 107.220 108.800 -0.631 0.000 2.788 488 G HA2 0.604 4.564 3.960 0.000 0.000 0.293 488 G HA3 0.604 4.564 3.960 0.000 0.000 0.293 488 G C -1.454 173.021 174.900 -0.709 0.000 1.305 488 G CA -0.462 43.749 45.100 -1.482 0.000 1.005 488 G HN 0.077 nan 8.290 nan 0.000 0.496 489 D N 0.004 120.068 120.400 -0.560 0.000 2.329 489 D HA 0.505 5.145 4.640 0.000 0.000 0.232 489 D C 0.230 176.473 176.300 -0.095 0.000 1.088 489 D CA 0.116 53.985 54.000 -0.219 0.000 0.835 489 D CB 1.579 42.292 40.800 -0.145 0.000 1.078 489 D HN 0.529 nan 8.370 nan 0.000 0.495 490 G N 0.212 109.004 108.800 -0.014 0.000 2.416 490 G HA2 0.559 4.520 3.960 0.000 0.000 0.329 490 G HA3 0.559 4.520 3.960 0.000 0.000 0.329 490 G C -1.094 173.831 174.900 0.041 0.000 1.173 490 G CA -0.678 44.458 45.100 0.059 0.000 0.929 490 G HN 0.338 nan 8.290 nan 0.000 0.475 491 V N 2.357 122.297 119.914 0.044 0.000 2.711 491 V HA 0.686 4.806 4.120 0.000 0.000 0.304 491 V C -0.544 175.571 176.094 0.035 0.000 1.097 491 V CA -1.100 61.220 62.300 0.033 0.000 0.906 491 V CB 1.773 33.609 31.823 0.022 0.000 1.015 491 V HN 0.907 nan 8.190 nan 0.000 0.427 492 R N 5.168 125.689 120.500 0.034 0.000 2.297 492 R HA 0.779 5.119 4.340 0.000 0.000 0.308 492 R C -1.012 175.300 176.300 0.019 0.000 1.029 492 R CA -0.228 55.892 56.100 0.032 0.000 0.929 492 R CB 1.654 31.976 30.300 0.037 0.000 1.046 492 R HN 0.848 nan 8.270 nan 0.000 0.461 493 V N 2.170 122.090 119.914 0.011 0.000 2.604 493 V HA 0.561 4.681 4.120 0.000 0.000 0.305 493 V C 0.147 176.238 176.094 -0.006 0.000 1.043 493 V CA -0.808 61.493 62.300 0.001 0.000 0.888 493 V CB 1.997 33.817 31.823 -0.006 0.000 0.995 493 V HN 0.951 nan 8.190 nan 0.000 0.429 494 R N 1.554 122.051 120.500 -0.005 0.000 2.453 494 R HA 0.253 4.593 4.340 0.000 0.000 0.233 494 R C 0.570 176.862 176.300 -0.012 0.000 0.895 494 R CA 0.675 56.771 56.100 -0.008 0.000 1.028 494 R CB 1.015 31.315 30.300 -0.001 0.000 1.255 494 R HN 0.911 nan 8.270 nan 0.000 0.571 495 T N -2.390 112.157 114.554 -0.011 0.000 2.912 495 T HA 0.345 4.695 4.350 0.000 0.000 0.288 495 T C 0.808 175.499 174.700 -0.016 0.000 1.030 495 T CA -0.923 61.169 62.100 -0.012 0.000 1.020 495 T CB 2.556 71.420 68.868 -0.007 0.000 1.056 495 T HN -0.081 nan 8.240 nan 0.000 0.480 496 R N 0.887 121.377 120.500 -0.016 0.000 2.127 496 R HA -0.072 4.268 4.340 0.000 0.000 0.238 496 R C 2.538 178.831 176.300 -0.012 0.000 1.134 496 R CA 1.388 57.478 56.100 -0.018 0.000 0.975 496 R CB -0.767 29.524 30.300 -0.016 0.000 0.865 496 R HN 0.822 nan 8.270 nan 0.000 0.447 497 A N 1.329 124.144 122.820 -0.008 0.000 1.930 497 A HA -0.157 4.163 4.320 0.000 0.000 0.217 497 A C 1.839 179.422 177.584 -0.002 0.000 1.175 497 A CA 1.136 53.170 52.037 -0.004 0.000 0.627 497 A CB -0.176 18.822 19.000 -0.003 0.000 0.815 497 A HN 0.310 nan 8.150 nan 0.000 0.443 498 E N -0.622 119.576 120.200 -0.003 0.000 2.152 498 E HA -0.138 4.212 4.350 0.000 0.000 0.192 498 E C 1.911 178.512 176.600 0.002 0.000 0.983 498 E CA 0.990 57.391 56.400 0.001 0.000 0.818 498 E CB -0.237 29.463 29.700 -0.000 0.000 0.758 498 E HN 0.519 nan 8.360 nan 0.000 0.467 499 L N 2.007 123.226 121.223 -0.006 0.000 1.994 499 L HA -0.199 4.141 4.340 0.000 0.000 0.208 499 L C 2.252 179.127 176.870 0.008 0.000 1.071 499 L CA 1.971 56.807 54.840 -0.007 0.000 0.745 499 L CB -0.389 41.654 42.059 -0.027 0.000 0.892 499 L HN -0.106 nan 8.230 nan 0.000 0.431 500 K N -0.613 119.790 120.400 0.005 0.000 2.032 500 K HA -0.198 4.123 4.320 0.000 0.000 0.209 500 K C 1.968 178.581 176.600 0.022 0.000 1.048 500 K CA 1.529 57.823 56.287 0.011 0.000 0.927 500 K CB -0.312 32.189 32.500 0.002 0.000 0.712 500 K HN 0.484 nan 8.250 nan 0.000 0.441 501 A N 1.098 123.928 122.820 0.017 0.000 1.877 501 A HA -0.117 4.203 4.320 0.000 0.000 0.216 501 A C 2.354 179.959 177.584 0.034 0.000 1.186 501 A CA 1.965 54.015 52.037 0.022 0.000 0.620 501 A CB -0.871 18.138 19.000 0.014 0.000 0.822 501 A HN 0.511 nan 8.150 nan 0.000 0.443 502 A N -0.552 122.288 122.820 0.032 0.000 1.883 502 A HA -0.099 4.222 4.320 0.000 0.000 0.217 502 A C 2.147 179.772 177.584 0.067 0.000 1.186 502 A CA 1.847 53.907 52.037 0.039 0.000 0.624 502 A CB -0.721 18.296 19.000 0.028 0.000 0.822 502 A HN 0.642 nan 8.150 nan 0.000 0.444 503 L N 0.043 121.318 121.223 0.087 0.000 2.042 503 L HA -0.184 4.156 4.340 0.000 0.000 0.210 503 L C 1.722 178.735 176.870 0.238 0.000 1.076 503 L CA 2.407 57.349 54.840 0.169 0.000 0.749 503 L CB -0.630 41.524 42.059 0.159 0.000 0.893 503 L HN 0.359 nan 8.230 nan 0.000 0.432 504 D N -0.532 119.952 120.400 0.139 0.000 2.117 504 D HA -0.228 4.412 4.640 0.000 0.000 0.197 504 D C 2.131 178.513 176.300 0.136 0.000 0.987 504 D CA 1.324 55.400 54.000 0.126 0.000 0.829 504 D CB -0.031 40.803 40.800 0.057 0.000 0.961 504 D HN 0.368 nan 8.370 nan 0.000 0.460 505 K N 0.624 121.078 120.400 0.091 0.000 2.097 505 K HA -0.063 4.257 4.320 0.000 0.000 0.205 505 K C 2.001 178.638 176.600 0.060 0.000 1.050 505 K CA 1.102 57.427 56.287 0.064 0.000 0.938 505 K CB 0.014 32.536 32.500 0.036 0.000 0.718 505 K HN 0.001 nan 8.250 nan 0.000 0.442 506 A N 0.437 123.293 122.820 0.059 0.000 1.902 506 A HA -0.135 4.185 4.320 0.000 0.000 0.217 506 A C 1.867 179.412 177.584 -0.066 0.000 1.181 506 A CA 1.266 53.292 52.037 -0.019 0.000 0.623 506 A CB -0.760 18.211 19.000 -0.049 0.000 0.818 506 A HN 0.372 nan 8.150 nan 0.000 0.443 507 F N -0.269 119.688 119.950 0.013 0.000 2.407 507 F HA 0.058 4.585 4.527 0.000 0.000 0.299 507 F C 2.463 178.267 175.800 0.008 0.000 1.097 507 F CA 0.914 58.921 58.000 0.011 0.000 1.422 507 F CB 0.044 39.049 39.000 0.007 0.000 1.067 507 F HN 0.258 nan 8.300 nan 0.000 0.539 508 A N -1.408 121.507 122.820 0.158 0.000 2.238 508 A HA 0.150 4.470 4.320 0.000 0.000 0.210 508 A C 0.688 178.300 177.584 0.046 0.000 1.179 508 A CA 0.472 52.565 52.037 0.094 0.000 0.827 508 A CB -0.484 18.561 19.000 0.074 0.000 0.856 508 A HN 0.094 nan 8.150 nan 0.000 0.488 509 T N 1.479 116.046 114.554 0.021 0.000 2.842 509 T HA 0.462 4.812 4.350 0.000 0.000 0.308 509 T C -0.093 174.592 174.700 -0.025 0.000 1.041 509 T CA -0.478 61.619 62.100 -0.006 0.000 0.964 509 T CB 0.896 69.753 68.868 -0.018 0.000 0.972 509 T HN 0.338 nan 8.240 nan 0.000 0.460 510 R N 0.900 121.392 120.500 -0.015 0.000 2.782 510 R HA 0.754 5.094 4.340 0.000 0.000 0.258 510 R C 1.128 177.417 176.300 -0.019 0.000 1.055 510 R CA -0.412 55.677 56.100 -0.019 0.000 1.065 510 R CB 1.366 31.663 30.300 -0.005 0.000 1.172 510 R HN 0.808 nan 8.270 nan 0.000 0.510 511 G N 0.412 109.203 108.800 -0.015 0.000 2.339 511 G HA2 -0.221 3.740 3.960 0.000 0.000 0.209 511 G HA3 -0.221 3.740 3.960 0.000 0.000 0.209 511 G C -0.207 174.681 174.900 -0.019 0.000 1.015 511 G CA 0.121 45.213 45.100 -0.013 0.000 0.635 511 G HN 0.634 nan 8.290 nan 0.000 0.499 512 R N -0.333 120.142 120.500 -0.040 0.000 2.680 512 R HA 0.633 4.973 4.340 0.000 0.000 0.269 512 R C 0.180 176.444 176.300 -0.061 0.000 1.026 512 R CA -0.700 55.357 56.100 -0.073 0.000 0.889 512 R CB 0.732 30.930 30.300 -0.170 0.000 1.241 512 R HN 0.794 nan 8.270 nan 0.000 0.463 513 F N 0.596 120.542 119.950 -0.007 0.000 2.553 513 F HA 0.231 4.758 4.527 0.000 0.000 0.356 513 F C -0.475 175.317 175.800 -0.014 0.000 1.142 513 F CA -0.380 57.610 58.000 -0.017 0.000 1.322 513 F CB 0.500 39.500 39.000 0.000 0.000 1.126 513 F HN 0.273 nan 8.300 nan 0.000 0.599 514 Q N 4.449 124.372 119.800 0.205 0.000 2.357 514 Q HA 0.394 4.734 4.340 0.000 0.000 0.266 514 Q C -1.407 174.711 176.000 0.197 0.000 1.021 514 Q CA -0.805 55.052 55.803 0.090 0.000 0.784 514 Q CB 2.055 30.786 28.738 -0.013 0.000 1.243 514 Q HN 0.830 nan 8.270 nan 0.000 0.465 515 L N 4.331 125.693 121.223 0.232 0.000 2.265 515 L HA 0.484 4.824 4.340 0.000 0.000 0.289 515 L C -0.915 176.005 176.870 0.084 0.000 1.033 515 L CA -0.150 54.805 54.840 0.192 0.000 0.814 515 L CB 0.692 42.921 42.059 0.283 0.000 1.203 515 L HN 0.540 nan 8.230 nan 0.000 0.423 516 I N 5.039 125.639 120.570 0.050 0.000 2.337 516 I HA 0.260 4.431 4.170 0.000 0.000 0.285 516 I C 0.114 176.239 176.117 0.013 0.000 1.041 516 I CA -0.322 60.997 61.300 0.032 0.000 1.199 516 I CB 1.087 39.106 38.000 0.033 0.000 1.370 516 I HN 0.623 nan 8.210 nan 0.000 0.470 517 E N 6.557 126.765 120.200 0.012 0.000 1.996 517 E HA 0.427 4.777 4.350 0.000 0.000 0.280 517 E C -0.484 176.122 176.600 0.010 0.000 1.092 517 E CA -0.564 55.842 56.400 0.011 0.000 0.862 517 E CB 0.855 30.587 29.700 0.054 0.000 1.066 517 E HN 0.701 nan 8.360 nan 0.000 0.396 518 A N 6.633 129.442 122.820 -0.017 0.000 2.279 518 A HA 0.318 4.638 4.320 0.000 0.000 0.306 518 A C -0.042 177.520 177.584 -0.036 0.000 1.300 518 A CA -0.686 51.315 52.037 -0.061 0.000 0.925 518 A CB 0.262 19.159 19.000 -0.173 0.000 1.152 518 A HN 0.631 nan 8.150 nan 0.000 0.544 519 M N 3.188 122.781 119.600 -0.011 0.000 2.188 519 M HA 0.323 4.803 4.480 0.000 0.000 0.354 519 M C -0.402 175.891 176.300 -0.011 0.000 1.342 519 M CA 0.319 55.626 55.300 0.011 0.000 1.117 519 M CB -0.476 32.135 32.600 0.018 0.000 1.670 519 M HN 0.470 nan 8.290 nan 0.000 0.466 520 I N 5.314 125.889 120.570 0.008 0.000 2.466 520 I HA 0.371 4.542 4.170 0.000 0.000 0.289 520 I C -2.208 173.925 176.117 0.027 0.000 1.026 520 I CA -2.009 59.292 61.300 0.001 0.000 1.078 520 I CB 2.466 40.467 38.000 0.002 0.000 1.249 520 I HN 0.363 nan 8.210 nan 0.000 0.429 521 P HA 0.169 nan 4.420 nan 0.000 0.269 521 P C -0.606 176.713 177.300 0.032 0.000 1.209 521 P CA -0.289 62.824 63.100 0.023 0.000 0.776 521 P CB 0.482 32.190 31.700 0.013 0.000 0.876 522 R N 1.336 121.856 120.500 0.033 0.000 2.734 522 R HA 0.308 4.648 4.340 0.000 0.000 0.266 522 R C 1.475 177.792 176.300 0.028 0.000 1.044 522 R CA 1.066 57.188 56.100 0.037 0.000 1.128 522 R CB -0.447 29.872 30.300 0.031 0.000 1.010 522 R HN 0.860 nan 8.270 nan 0.000 0.461 523 G N 0.573 109.391 108.800 0.029 0.000 2.253 523 G HA2 -0.274 3.686 3.960 0.000 0.000 0.251 523 G HA3 -0.274 3.686 3.960 0.000 0.000 0.251 523 G C 0.027 174.937 174.900 0.017 0.000 0.998 523 G CA 0.080 45.189 45.100 0.016 0.000 0.621 523 G HN 0.434 nan 8.290 nan 0.000 0.524 524 V N 2.671 122.601 119.914 0.027 0.000 2.385 524 V HA 0.659 4.779 4.120 0.000 0.000 0.269 524 V C 0.716 176.838 176.094 0.046 0.000 1.043 524 V CA -0.155 62.162 62.300 0.028 0.000 0.906 524 V CB 1.072 32.909 31.823 0.022 0.000 0.995 524 V HN 0.381 nan 8.190 nan 0.000 0.467 525 L N 3.445 124.692 121.223 0.040 0.000 2.256 525 L HA 0.678 5.018 4.340 0.000 0.000 0.261 525 L C 0.543 177.456 176.870 0.072 0.000 1.022 525 L CA -0.782 54.092 54.840 0.058 0.000 0.828 525 L CB 2.194 44.265 42.059 0.019 0.000 1.374 525 L HN 0.637 nan 8.230 nan 0.000 0.436 526 S N -1.718 114.045 115.700 0.105 0.000 2.603 526 S HA 0.101 4.571 4.470 0.000 0.000 0.268 526 S C 0.268 174.922 174.600 0.090 0.000 1.317 526 S CA -0.614 57.663 58.200 0.127 0.000 1.012 526 S CB 1.113 64.431 63.200 0.197 0.000 0.926 526 S HN 0.577 nan 8.310 nan 0.000 0.539 527 D N 1.910 122.366 120.400 0.092 0.000 2.123 527 D HA -0.076 4.564 4.640 0.000 0.000 0.196 527 D C 1.941 178.288 176.300 0.078 0.000 0.992 527 D CA 1.862 55.905 54.000 0.072 0.000 0.833 527 D CB -1.062 39.786 40.800 0.079 0.000 0.954 527 D HN 0.722 nan 8.370 nan 0.000 0.455 528 T N 1.221 115.851 114.554 0.126 0.000 2.708 528 T HA -0.143 4.207 4.350 0.000 0.000 0.266 528 T C 1.910 176.685 174.700 0.125 0.000 1.037 528 T CA 0.649 62.850 62.100 0.168 0.000 1.146 528 T CB -0.379 68.655 68.868 0.277 0.000 0.865 528 T HN 0.039 nan 8.240 nan 0.000 0.435 529 L N 1.450 122.690 121.223 0.028 0.000 2.093 529 L HA 0.144 4.484 4.340 0.000 0.000 0.208 529 L C 2.580 179.362 176.870 -0.147 0.000 1.085 529 L CA 1.682 56.355 54.840 -0.278 0.000 0.755 529 L CB -1.243 40.605 42.059 -0.350 0.000 0.904 529 L HN 0.225 nan 8.230 nan 0.000 0.435 530 A N 0.159 122.936 122.820 -0.072 0.000 1.849 530 A HA -0.277 4.043 4.320 0.000 0.000 0.217 530 A C 2.368 179.901 177.584 -0.085 0.000 1.202 530 A CA 2.261 54.252 52.037 -0.078 0.000 0.629 530 A CB -0.701 18.277 19.000 -0.038 0.000 0.834 530 A HN 0.523 nan 8.150 nan 0.000 0.447 531 R N -1.911 118.568 120.500 -0.036 0.000 2.103 531 R HA -0.186 4.154 4.340 0.000 0.000 0.242 531 R C 2.002 178.269 176.300 -0.055 0.000 1.142 531 R CA 1.626 57.705 56.100 -0.036 0.000 0.960 531 R CB -0.746 29.556 30.300 0.003 0.000 0.858 531 R HN 0.576 nan 8.270 nan 0.000 0.439 532 F N 1.806 121.649 119.950 -0.179 0.000 2.236 532 F HA -0.228 4.299 4.527 0.000 0.000 0.302 532 F C 1.989 177.628 175.800 -0.268 0.000 1.073 532 F CA 1.554 59.425 58.000 -0.215 0.000 1.336 532 F CB 0.022 38.841 39.000 -0.302 0.000 1.040 532 F HN -0.123 nan 8.300 nan 0.000 0.507 533 V N -2.694 116.971 119.914 -0.415 0.000 2.788 533 V HA 0.029 4.149 4.120 0.000 0.000 0.241 533 V C 1.627 177.505 176.094 -0.360 0.000 1.083 533 V CA 0.651 62.611 62.300 -0.566 0.000 1.103 533 V CB -0.994 30.458 31.823 -0.617 0.000 0.800 533 V HN 0.223 nan 8.190 nan 0.000 0.476 534 Q N 1.705 121.361 119.800 -0.240 0.000 2.576 534 Q HA 0.320 4.660 4.340 0.000 0.000 0.219 534 Q C 0.738 176.650 176.000 -0.147 0.000 0.976 534 Q CA 0.718 56.423 55.803 -0.162 0.000 0.977 534 Q CB -0.246 28.426 28.738 -0.110 0.000 0.988 534 Q HN 0.858 nan 8.270 nan 0.000 0.555 535 G N 0.000 108.681 108.800 -0.199 0.000 5.446 535 G HA2 0.000 3.960 3.960 0.000 0.000 0.244 535 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 535 G CA 0.000 44.999 45.100 -0.168 0.000 0.502 535 G HN 0.000 nan 8.290 nan 0.000 0.925