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 1muu_1_A DATA FIRST_RESID 2 DATA SEQUENCE RISIFGLGYV GAVCAGCLSA RGHEVIGVDV SSTKIDLINQ GKSPIVEPGL DATA SEQUENCE EALLQQGRQT GRLSGTTDFK KAVLDSDVSF ICVGTPSKKN GDLDLGYIET DATA SEQUENCE VCREIGFAIR EKSERHTVVV RSTVLPGTVN NVVIPLIEDC SGKKAGVDFG DATA SEQUENCE VGTNPEFLRE STAIKDYDFP PXTVIGELDK QTGDLLEEIY RELDAPIIRK DATA SEQUENCE TVEVAEXIKY TCNVWHAAKV TFANEIGNIA KAVGVDGREV XDVICQDHKL DATA SEQUENCE NLSRYYXRPG FAFGGSCLPK DVRALTYRAS QLDVEHPXLG SLXRSNSNQV DATA SEQUENCE QKAFDLITSH DTRKVGLLGL SFKAGTDDLR ESPLVELAEX LIGKGYELRI DATA SEQUENCE FDRNVEYARV HGANKEYIES KIPHVSSLLV SDLDEVVASS DVLVLGNGDE DATA SEQUENCE LFVDLVNKTP SGKKLVDLVG FXPHTTTAQA EGICW VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 R HA 0.000 nan 4.340 nan 0.000 0.208 2 R C 0.000 176.327 176.300 0.045 0.000 0.893 2 R CA 0.000 56.138 56.100 0.063 0.000 0.921 2 R CB 0.000 30.331 30.300 0.051 0.000 0.687 3 I N 1.712 122.321 120.570 0.065 0.000 2.582 3 I HA 0.391 4.605 4.170 0.073 0.000 0.292 3 I C -0.136 176.057 176.117 0.127 0.000 1.066 3 I CA -0.788 60.566 61.300 0.089 0.000 1.053 3 I CB 2.501 40.564 38.000 0.105 0.000 1.241 3 I HN 0.582 nan 8.210 nan 0.000 0.421 4 S N 6.145 121.953 115.700 0.180 0.000 2.509 4 S HA 0.789 5.303 4.470 0.073 0.000 0.297 4 S C -0.679 174.083 174.600 0.270 0.000 1.118 4 S CA -0.715 57.592 58.200 0.180 0.000 1.074 4 S CB 1.768 65.111 63.200 0.238 0.000 1.038 4 S HN 0.451 nan 8.310 nan 0.000 0.498 5 I N 2.411 123.072 120.570 0.152 0.000 2.418 5 I HA 0.377 4.591 4.170 0.073 0.000 0.287 5 I C -1.313 174.864 176.117 0.099 0.000 1.008 5 I CA -0.612 60.821 61.300 0.221 0.000 1.104 5 I CB 1.308 39.379 38.000 0.117 0.000 1.264 5 I HN 0.569 nan 8.210 nan 0.000 0.438 6 F N 4.357 124.373 119.950 0.111 0.000 2.391 6 F HA 0.624 5.194 4.527 0.073 0.000 0.359 6 F C 0.859 176.687 175.800 0.046 0.000 1.122 6 F CA -0.645 57.396 58.000 0.070 0.000 1.120 6 F CB 1.399 40.433 39.000 0.057 0.000 1.142 6 F HN 0.589 nan 8.300 nan 0.000 0.483 7 G N 4.420 113.285 108.800 0.108 0.000 3.380 7 G HA2 -0.124 3.880 3.960 0.073 0.000 0.685 7 G HA3 -0.124 3.880 3.960 0.073 0.000 0.685 7 G C -0.992 173.915 174.900 0.011 0.000 1.136 7 G CA -1.097 44.034 45.100 0.052 0.000 1.011 7 G HN 0.669 nan 8.290 nan 0.000 0.471 8 L N 3.063 124.270 121.223 -0.027 0.000 2.959 8 L HA 0.518 4.902 4.340 0.073 0.000 0.236 8 L C 1.448 178.273 176.870 -0.076 0.000 1.296 8 L CA 0.062 54.872 54.840 -0.050 0.000 1.047 8 L CB 0.201 42.222 42.059 -0.063 0.000 1.395 8 L HN 0.723 nan 8.230 nan 0.000 0.492 9 G N -1.208 107.559 108.800 -0.055 0.000 2.695 9 G HA2 0.109 4.113 3.960 0.073 0.000 0.213 9 G HA3 0.109 4.113 3.960 0.073 0.000 0.213 9 G C 0.288 175.134 174.900 -0.089 0.000 1.406 9 G CA -0.154 44.904 45.100 -0.071 0.000 1.049 9 G HN 0.153 nan 8.290 nan 0.000 0.573 10 Y N -0.931 119.357 120.300 -0.020 0.000 2.274 10 Y HA -0.097 4.497 4.550 0.073 0.000 0.290 10 Y C 2.902 178.796 175.900 -0.009 0.000 1.145 10 Y CA 1.199 59.292 58.100 -0.012 0.000 1.203 10 Y CB -0.294 38.162 38.460 -0.006 0.000 0.984 10 Y HN 0.052 nan 8.280 nan 0.000 0.533 11 V N -1.191 118.798 119.914 0.125 0.000 2.300 11 V HA -0.114 4.050 4.120 0.073 0.000 0.241 11 V C 2.516 178.625 176.094 0.025 0.000 1.034 11 V CA 1.762 64.104 62.300 0.070 0.000 1.021 11 V CB -1.304 30.551 31.823 0.054 0.000 0.662 11 V HN 0.448 nan 8.190 nan 0.000 0.458 12 G N -0.191 108.618 108.800 0.014 0.000 2.442 12 G HA2 -0.220 3.784 3.960 0.073 0.000 0.219 12 G HA3 -0.220 3.784 3.960 0.073 0.000 0.219 12 G C 1.731 176.607 174.900 -0.041 0.000 1.141 12 G CA 1.135 46.231 45.100 -0.006 0.000 0.763 12 G HN 0.594 nan 8.290 nan 0.000 0.554 13 A N -0.007 122.780 122.820 -0.055 0.000 1.933 13 A HA 0.108 4.472 4.320 0.073 0.000 0.218 13 A C 2.585 180.118 177.584 -0.085 0.000 1.175 13 A CA 1.752 53.742 52.037 -0.079 0.000 0.628 13 A CB -0.461 18.475 19.000 -0.106 0.000 0.814 13 A HN 0.256 nan 8.150 nan 0.000 0.444 14 V N -1.041 118.831 119.914 -0.071 0.000 2.323 14 V HA -0.274 3.890 4.120 0.073 0.000 0.244 14 V C 2.629 178.611 176.094 -0.188 0.000 1.041 14 V CA 1.924 64.167 62.300 -0.095 0.000 1.025 14 V CB -0.971 30.835 31.823 -0.027 0.000 0.656 14 V HN 0.707 nan 8.190 nan 0.000 0.451 15 C N 0.315 119.526 119.300 -0.147 0.000 2.413 15 C HA -0.115 4.388 4.460 0.073 0.000 0.276 15 C C 3.099 177.959 174.990 -0.216 0.000 1.248 15 C CA 0.802 59.693 59.018 -0.211 0.000 1.742 15 C CB -1.363 26.295 27.740 -0.135 0.000 2.017 15 C HN 0.632 nan 8.230 nan 0.000 0.481 16 A N 0.898 123.636 122.820 -0.136 0.000 1.883 16 A HA 0.010 4.374 4.320 0.073 0.000 0.217 16 A C 2.413 179.930 177.584 -0.111 0.000 1.186 16 A CA 2.282 54.261 52.037 -0.097 0.000 0.624 16 A CB -1.351 17.608 19.000 -0.069 0.000 0.822 16 A HN 0.548 nan 8.150 nan 0.000 0.444 17 G N -1.001 107.720 108.800 -0.132 0.000 2.433 17 G HA2 -0.257 3.746 3.960 0.073 0.000 0.216 17 G HA3 -0.257 3.746 3.960 0.073 0.000 0.216 17 G C 1.610 176.406 174.900 -0.173 0.000 1.186 17 G CA 1.333 46.356 45.100 -0.128 0.000 0.779 17 G HN 0.536 nan 8.290 nan 0.000 0.543 18 C N 0.244 119.358 119.300 -0.311 0.000 2.425 18 C HA 0.107 4.611 4.460 0.073 0.000 0.277 18 C C 2.922 177.758 174.990 -0.255 0.000 1.280 18 C CA 0.416 59.175 59.018 -0.432 0.000 1.744 18 C CB -1.098 25.974 27.740 -1.115 0.000 1.989 18 C HN 0.412 nan 8.230 nan 0.000 0.491 19 L N 1.653 122.760 121.223 -0.193 0.000 2.056 19 L HA -0.132 4.251 4.340 0.073 0.000 0.207 19 L C 2.776 179.708 176.870 0.103 0.000 1.078 19 L CA 1.974 56.835 54.840 0.035 0.000 0.749 19 L CB -0.651 41.395 42.059 -0.021 0.000 0.901 19 L HN 0.467 nan 8.230 nan 0.000 0.433 20 S N -0.001 115.706 115.700 0.012 0.000 2.402 20 S HA -0.111 4.403 4.470 0.073 0.000 0.229 20 S C 2.116 176.703 174.600 -0.021 0.000 1.021 20 S CA 0.716 58.923 58.200 0.012 0.000 0.974 20 S CB -0.478 62.716 63.200 -0.010 0.000 0.800 20 S HN 0.335 nan 8.310 nan 0.000 0.484 21 A N 1.745 124.540 122.820 -0.042 0.000 2.125 21 A HA 0.084 4.448 4.320 0.073 0.000 0.219 21 A C 2.162 179.716 177.584 -0.050 0.000 1.156 21 A CA 0.844 52.853 52.037 -0.047 0.000 0.671 21 A CB -0.425 18.541 19.000 -0.057 0.000 0.794 21 A HN 0.549 nan 8.150 nan 0.000 0.459 22 R N -1.636 118.833 120.500 -0.052 0.000 2.388 22 R HA 0.277 4.661 4.340 0.073 0.000 0.247 22 R C 1.197 177.346 176.300 -0.253 0.000 0.931 22 R CA 0.547 56.585 56.100 -0.104 0.000 1.082 22 R CB 0.125 30.405 30.300 -0.033 0.000 1.135 22 R HN 0.606 nan 8.270 nan 0.000 0.525 23 G N 0.150 108.838 108.800 -0.188 0.000 2.213 23 G HA2 -0.233 3.771 3.960 0.073 0.000 0.236 23 G HA3 -0.233 3.771 3.960 0.073 0.000 0.236 23 G C -0.022 174.764 174.900 -0.190 0.000 0.991 23 G CA -0.419 44.564 45.100 -0.195 0.000 0.629 23 G HN 0.360 nan 8.290 nan 0.000 0.517 24 H N 1.254 120.317 119.070 -0.011 0.000 2.707 24 H HA 0.381 4.980 4.556 0.073 0.000 0.359 24 H C 0.261 175.587 175.328 -0.003 0.000 1.113 24 H CA 0.339 56.385 56.048 -0.003 0.000 1.422 24 H CB 0.667 30.430 29.762 0.002 0.000 1.443 24 H HN 0.464 nan 8.280 nan 0.000 0.591 25 E N 1.850 122.133 120.200 0.139 0.000 2.089 25 E HA 0.287 4.681 4.350 0.073 0.000 0.284 25 E C -0.696 175.949 176.600 0.076 0.000 1.023 25 E CA -0.457 55.989 56.400 0.075 0.000 0.819 25 E CB 1.065 30.797 29.700 0.053 0.000 1.076 25 E HN 0.188 nan 8.360 nan 0.000 0.396 26 V N 4.998 124.944 119.914 0.054 0.000 2.459 26 V HA 0.384 4.548 4.120 0.073 0.000 0.295 26 V C -0.120 175.985 176.094 0.018 0.000 1.029 26 V CA -0.808 61.517 62.300 0.042 0.000 0.874 26 V CB 1.573 33.412 31.823 0.027 0.000 0.985 26 V HN 0.638 nan 8.190 nan 0.000 0.438 27 I N 3.656 124.237 120.570 0.017 0.000 2.382 27 I HA 0.736 4.950 4.170 0.073 0.000 0.285 27 I C 0.569 176.656 176.117 -0.050 0.000 1.007 27 I CA -0.223 61.067 61.300 -0.016 0.000 1.142 27 I CB 0.941 38.932 38.000 -0.014 0.000 1.289 27 I HN 0.732 nan 8.210 nan 0.000 0.453 28 G N 6.861 115.620 108.800 -0.068 0.000 2.372 28 G HA2 0.523 4.527 3.960 0.073 0.000 0.283 28 G HA3 0.523 4.527 3.960 0.073 0.000 0.283 28 G C -0.917 173.884 174.900 -0.165 0.000 1.177 28 G CA -0.313 44.727 45.100 -0.100 0.000 0.842 28 G HN 0.451 nan 8.290 nan 0.000 0.503 29 V N 3.074 122.823 119.914 -0.274 0.000 2.540 29 V HA 0.548 4.712 4.120 0.073 0.000 0.302 29 V C -0.653 175.322 176.094 -0.199 0.000 1.035 29 V CA -0.757 61.334 62.300 -0.348 0.000 0.873 29 V CB 1.793 33.086 31.823 -0.883 0.000 0.992 29 V HN 0.800 nan 8.190 nan 0.000 0.428 30 D N 1.743 122.088 120.400 -0.092 0.000 2.602 30 D HA 0.319 5.003 4.640 0.073 0.000 0.236 30 D C 0.524 176.832 176.300 0.015 0.000 1.209 30 D CA -0.323 53.660 54.000 -0.027 0.000 0.831 30 D CB 3.028 43.806 40.800 -0.036 0.000 1.478 30 D HN 0.377 nan 8.370 nan 0.000 0.438 31 V N 0.080 120.017 119.914 0.038 0.000 3.129 31 V HA 0.113 4.276 4.120 0.073 0.000 0.259 31 V C 0.990 177.105 176.094 0.034 0.000 1.116 31 V CA 0.617 62.952 62.300 0.057 0.000 1.127 31 V CB -0.078 31.791 31.823 0.077 0.000 0.742 31 V HN 0.351 nan 8.190 nan 0.000 0.474 32 S N 1.015 116.722 115.700 0.012 0.000 2.399 32 S HA 0.589 5.103 4.470 0.073 0.000 0.301 32 S C 1.585 176.182 174.600 -0.005 0.000 1.093 32 S CA 0.209 58.411 58.200 0.002 0.000 1.077 32 S CB 0.659 63.853 63.200 -0.011 0.000 0.980 32 S HN 0.810 nan 8.310 nan 0.000 0.494 33 S N 4.344 120.044 115.700 0.000 0.000 2.400 33 S HA -0.067 4.447 4.470 0.073 0.000 0.232 33 S C 2.038 176.630 174.600 -0.013 0.000 1.025 33 S CA 2.330 60.527 58.200 -0.006 0.000 0.993 33 S CB -1.680 61.520 63.200 -0.001 0.000 0.808 33 S HN 1.038 nan 8.310 nan 0.000 0.478 34 T N 1.234 115.780 114.554 -0.012 0.000 2.665 34 T HA -0.174 4.220 4.350 0.073 0.000 0.268 34 T C 2.082 176.765 174.700 -0.028 0.000 1.035 34 T CA 2.008 64.097 62.100 -0.018 0.000 1.151 34 T CB -0.390 68.469 68.868 -0.015 0.000 0.862 34 T HN 0.559 nan 8.240 nan 0.000 0.438 35 K N 0.080 120.459 120.400 -0.034 0.000 2.057 35 K HA 0.125 4.488 4.320 0.073 0.000 0.206 35 K C 2.319 178.892 176.600 -0.046 0.000 1.050 35 K CA 1.120 57.378 56.287 -0.048 0.000 0.935 35 K CB -0.232 32.234 32.500 -0.057 0.000 0.715 35 K HN 0.462 nan 8.250 nan 0.000 0.439 36 I N 1.809 122.356 120.570 -0.038 0.000 2.226 36 I HA -0.291 3.923 4.170 0.073 0.000 0.245 36 I C 2.687 178.784 176.117 -0.034 0.000 1.100 36 I CA 1.892 63.169 61.300 -0.038 0.000 1.374 36 I CB -0.890 37.090 38.000 -0.033 0.000 1.057 36 I HN 0.375 nan 8.210 nan 0.000 0.413 37 D N 0.959 121.342 120.400 -0.028 0.000 2.117 37 D HA -0.078 4.606 4.640 0.073 0.000 0.197 37 D C 2.332 178.615 176.300 -0.028 0.000 0.987 37 D CA 2.057 56.042 54.000 -0.025 0.000 0.829 37 D CB -0.875 39.913 40.800 -0.020 0.000 0.961 37 D HN 0.279 nan 8.370 nan 0.000 0.460 38 L N 0.099 121.303 121.223 -0.032 0.000 2.056 38 L HA 0.130 4.514 4.340 0.073 0.000 0.207 38 L C 2.816 179.662 176.870 -0.039 0.000 1.078 38 L CA 1.620 56.439 54.840 -0.035 0.000 0.749 38 L CB -1.229 40.805 42.059 -0.041 0.000 0.901 38 L HN 0.498 nan 8.230 nan 0.000 0.433 39 I N 0.232 120.775 120.570 -0.044 0.000 2.226 39 I HA -0.211 4.003 4.170 0.073 0.000 0.245 39 I C 2.344 178.439 176.117 -0.037 0.000 1.100 39 I CA 1.394 62.667 61.300 -0.045 0.000 1.374 39 I CB -1.399 36.570 38.000 -0.051 0.000 1.057 39 I HN 0.507 nan 8.210 nan 0.000 0.413 40 N N 1.124 119.804 118.700 -0.034 0.000 2.364 40 N HA -0.172 4.612 4.740 0.073 0.000 0.183 40 N C 1.519 177.014 175.510 -0.025 0.000 1.022 40 N CA 0.849 53.882 53.050 -0.028 0.000 0.883 40 N CB -0.167 38.304 38.487 -0.026 0.000 0.965 40 N HN 0.571 nan 8.380 nan 0.000 0.438 41 Q N -0.423 119.362 119.800 -0.025 0.000 2.320 41 Q HA 0.208 4.592 4.340 0.073 0.000 0.201 41 Q C 0.366 176.352 176.000 -0.024 0.000 0.910 41 Q CA -0.038 55.751 55.803 -0.022 0.000 0.946 41 Q CB 0.405 29.130 28.738 -0.021 0.000 1.062 41 Q HN 0.268 nan 8.270 nan 0.000 0.503 42 G N 0.792 109.576 108.800 -0.027 0.000 2.314 42 G HA2 -0.301 3.703 3.960 0.073 0.000 0.292 42 G HA3 -0.301 3.703 3.960 0.073 0.000 0.292 42 G C -0.153 174.729 174.900 -0.030 0.000 1.059 42 G CA 0.651 45.733 45.100 -0.028 0.000 0.982 42 G HN 0.400 nan 8.290 nan 0.000 0.505 43 K N -0.812 119.567 120.400 -0.034 0.000 2.371 43 K HA 0.904 5.268 4.320 0.073 0.000 0.251 43 K C 0.147 176.719 176.600 -0.047 0.000 0.934 43 K CA 0.164 56.430 56.287 -0.035 0.000 0.798 43 K CB 1.908 34.389 32.500 -0.031 0.000 1.204 43 K HN 1.317 nan 8.250 nan 0.000 0.427 44 S N 2.079 117.749 115.700 -0.049 0.000 2.513 44 S HA 0.458 4.972 4.470 0.073 0.000 0.276 44 S C -1.573 172.979 174.600 -0.080 0.000 1.254 44 S CA -1.348 56.811 58.200 -0.068 0.000 1.053 44 S CB 0.887 64.051 63.200 -0.061 0.000 0.958 44 S HN 0.530 nan 8.310 nan 0.000 0.491 45 P HA 0.186 nan 4.420 nan 0.000 0.236 45 P C 0.177 177.382 177.300 -0.159 0.000 1.177 45 P CA 0.339 63.364 63.100 -0.124 0.000 0.773 45 P CB -0.100 31.513 31.700 -0.145 0.000 0.878 46 I N -4.220 116.232 120.570 -0.196 0.000 3.108 46 I HA 0.465 4.679 4.170 0.073 0.000 0.312 46 I C -0.795 175.281 176.117 -0.069 0.000 1.095 46 I CA -1.566 59.617 61.300 -0.196 0.000 1.000 46 I CB 2.439 40.130 38.000 -0.516 0.000 1.229 46 I HN -0.419 nan 8.210 nan 0.000 0.454 47 V N 2.726 122.649 119.914 0.015 0.000 2.368 47 V HA 0.523 4.686 4.120 0.073 0.000 0.266 47 V C -0.739 175.396 176.094 0.067 0.000 1.045 47 V CA 0.362 62.683 62.300 0.036 0.000 0.899 47 V CB 0.401 32.252 31.823 0.046 0.000 1.006 47 V HN 0.907 nan 8.190 nan 0.000 0.470 48 E N 7.619 127.842 120.200 0.040 0.000 2.334 48 E HA 0.543 4.937 4.350 0.073 0.000 0.280 48 E C -2.936 173.683 176.600 0.032 0.000 0.899 48 E CA -1.822 54.611 56.400 0.055 0.000 0.813 48 E CB 2.087 31.820 29.700 0.056 0.000 1.318 48 E HN 0.523 nan 8.360 nan 0.000 0.399 49 P HA 0.119 nan 4.420 nan 0.000 0.259 49 P C 0.735 178.049 177.300 0.023 0.000 1.163 49 P CA 1.624 64.742 63.100 0.029 0.000 0.760 49 P CB 0.608 32.330 31.700 0.037 0.000 0.762 50 G N 2.119 110.927 108.800 0.014 0.000 2.184 50 G HA2 -0.338 3.666 3.960 0.073 0.000 0.264 50 G HA3 -0.338 3.666 3.960 0.073 0.000 0.264 50 G C 0.672 175.568 174.900 -0.007 0.000 0.975 50 G CA 0.338 45.442 45.100 0.007 0.000 0.642 50 G HN 0.558 nan 8.290 nan 0.000 0.536 51 L N 0.697 121.913 121.223 -0.012 0.000 2.072 51 L HA 0.357 4.741 4.340 0.073 0.000 0.205 51 L C 2.886 179.735 176.870 -0.035 0.000 1.079 51 L CA 3.235 58.057 54.840 -0.030 0.000 0.752 51 L CB -1.068 40.970 42.059 -0.036 0.000 0.906 51 L HN 0.616 nan 8.230 nan 0.000 0.436 52 E N -0.100 120.084 120.200 -0.028 0.000 2.038 52 E HA -0.228 4.165 4.350 0.073 0.000 0.195 52 E C 2.244 178.829 176.600 -0.025 0.000 1.000 52 E CA 1.900 58.284 56.400 -0.027 0.000 0.803 52 E CB -1.410 28.278 29.700 -0.021 0.000 0.750 52 E HN 0.711 nan 8.360 nan 0.000 0.448 53 A N 0.324 123.132 122.820 -0.019 0.000 1.908 53 A HA -0.011 4.353 4.320 0.073 0.000 0.218 53 A C 2.532 180.102 177.584 -0.024 0.000 1.181 53 A CA 1.588 53.614 52.037 -0.017 0.000 0.627 53 A CB -0.412 18.582 19.000 -0.010 0.000 0.818 53 A HN 0.481 nan 8.150 nan 0.000 0.445 54 L N -0.825 120.380 121.223 -0.031 0.000 2.046 54 L HA -0.162 4.222 4.340 0.073 0.000 0.208 54 L C 2.546 179.389 176.870 -0.045 0.000 1.077 54 L CA 1.087 55.902 54.840 -0.042 0.000 0.747 54 L CB -0.512 41.512 42.059 -0.059 0.000 0.896 54 L HN 0.401 nan 8.230 nan 0.000 0.432 55 L N -0.478 120.718 121.223 -0.044 0.000 2.093 55 L HA -0.220 4.164 4.340 0.073 0.000 0.208 55 L C 3.208 180.058 176.870 -0.034 0.000 1.085 55 L CA 1.443 56.257 54.840 -0.043 0.000 0.755 55 L CB -0.941 41.090 42.059 -0.046 0.000 0.904 55 L HN 0.361 nan 8.230 nan 0.000 0.435 56 Q N 0.032 119.814 119.800 -0.029 0.000 2.079 56 Q HA -0.252 4.132 4.340 0.073 0.000 0.200 56 Q C 2.017 178.004 176.000 -0.022 0.000 0.974 56 Q CA 1.688 57.477 55.803 -0.023 0.000 0.840 56 Q CB -0.792 27.935 28.738 -0.019 0.000 0.898 56 Q HN 0.594 nan 8.270 nan 0.000 0.430 57 Q N -0.407 119.379 119.800 -0.023 0.000 2.096 57 Q HA -0.080 4.304 4.340 0.073 0.000 0.204 57 Q C 2.441 178.428 176.000 -0.023 0.000 0.982 57 Q CA 1.213 57.002 55.803 -0.022 0.000 0.850 57 Q CB -0.308 28.415 28.738 -0.024 0.000 0.901 57 Q HN 0.737 nan 8.270 nan 0.000 0.422 58 G N 0.765 109.549 108.800 -0.027 0.000 2.418 58 G HA2 -0.239 3.765 3.960 0.073 0.000 0.217 58 G HA3 -0.239 3.765 3.960 0.073 0.000 0.217 58 G C 1.473 176.360 174.900 -0.021 0.000 1.158 58 G CA 0.310 45.395 45.100 -0.025 0.000 0.771 58 G HN 0.091 nan 8.290 nan 0.000 0.545 59 R N 0.031 120.518 120.500 -0.022 0.000 2.075 59 R HA -0.010 4.374 4.340 0.073 0.000 0.232 59 R C 2.985 179.276 176.300 -0.016 0.000 1.126 59 R CA 1.652 57.741 56.100 -0.019 0.000 0.963 59 R CB -1.241 29.047 30.300 -0.020 0.000 0.858 59 R HN 0.539 nan 8.270 nan 0.000 0.435 60 Q N 0.474 120.264 119.800 -0.016 0.000 2.436 60 Q HA -0.041 4.342 4.340 0.073 0.000 0.209 60 Q C 1.691 177.683 176.000 -0.013 0.000 0.965 60 Q CA 1.659 57.453 55.803 -0.014 0.000 0.910 60 Q CB -0.741 27.989 28.738 -0.013 0.000 0.980 60 Q HN 0.654 nan 8.270 nan 0.000 0.491 61 T N -5.775 108.771 114.554 -0.014 0.000 3.040 61 T HA 0.438 4.832 4.350 0.073 0.000 0.250 61 T C 1.720 176.413 174.700 -0.011 0.000 1.058 61 T CA 0.950 63.042 62.100 -0.013 0.000 0.988 61 T CB 0.481 69.340 68.868 -0.016 0.000 0.993 61 T HN 1.454 nan 8.240 nan 0.000 0.519 62 G N 1.781 110.575 108.800 -0.010 0.000 2.162 62 G HA2 -0.322 3.682 3.960 0.073 0.000 0.260 62 G HA3 -0.322 3.682 3.960 0.073 0.000 0.260 62 G C 0.925 175.822 174.900 -0.005 0.000 0.976 62 G CA 0.413 45.508 45.100 -0.008 0.000 0.655 62 G HN 0.531 nan 8.290 nan 0.000 0.533 63 R N -0.938 119.559 120.500 -0.005 0.000 2.161 63 R HA 0.411 4.795 4.340 0.073 0.000 0.213 63 R C 1.287 177.588 176.300 0.003 0.000 1.055 63 R CA 0.489 56.590 56.100 0.002 0.000 0.996 63 R CB 0.158 30.459 30.300 0.001 0.000 0.901 63 R HN 0.428 nan 8.270 nan 0.000 0.456 64 L N 0.522 121.740 121.223 -0.008 0.000 2.296 64 L HA 0.543 4.926 4.340 0.073 0.000 0.286 64 L C -0.820 176.039 176.870 -0.018 0.000 1.023 64 L CA -0.245 54.586 54.840 -0.014 0.000 0.812 64 L CB 1.519 43.564 42.059 -0.024 0.000 1.223 64 L HN 0.173 nan 8.230 nan 0.000 0.421 65 S N 2.375 118.063 115.700 -0.021 0.000 2.588 65 S HA 0.866 5.380 4.470 0.073 0.000 0.275 65 S C -0.424 174.154 174.600 -0.037 0.000 1.130 65 S CA -0.368 57.817 58.200 -0.026 0.000 0.855 65 S CB 1.924 65.111 63.200 -0.021 0.000 1.116 65 S HN 0.685 nan 8.310 nan 0.000 0.472 66 G N -0.063 108.712 108.800 -0.041 0.000 2.571 66 G HA2 0.798 4.802 3.960 0.073 0.000 0.304 66 G HA3 0.798 4.802 3.960 0.073 0.000 0.304 66 G C -0.708 174.161 174.900 -0.052 0.000 1.314 66 G CA -0.156 44.912 45.100 -0.053 0.000 0.975 66 G HN 1.156 nan 8.290 nan 0.000 0.485 67 T N -1.739 112.776 114.554 -0.064 0.000 2.786 67 T HA 0.523 4.917 4.350 0.073 0.000 0.316 67 T C 0.943 175.613 174.700 -0.051 0.000 1.503 67 T CA 0.542 62.609 62.100 -0.055 0.000 1.019 67 T CB 1.262 70.095 68.868 -0.058 0.000 1.415 67 T HN 1.008 nan 8.240 nan 0.000 0.496 68 T N -1.098 113.440 114.554 -0.025 0.000 3.040 68 T HA 0.248 4.642 4.350 0.073 0.000 0.250 68 T C 0.403 175.121 174.700 0.030 0.000 1.058 68 T CA 0.054 62.166 62.100 0.019 0.000 0.988 68 T CB -0.037 68.849 68.868 0.030 0.000 0.993 68 T HN 0.481 nan 8.240 nan 0.000 0.519 69 D N 1.897 122.267 120.400 -0.050 0.000 2.470 69 D HA 0.165 4.849 4.640 0.073 0.000 0.226 69 D C 0.847 177.069 176.300 -0.129 0.000 1.196 69 D CA -1.123 52.787 54.000 -0.151 0.000 0.979 69 D CB -0.171 40.547 40.800 -0.136 0.000 1.059 69 D HN 0.418 nan 8.370 nan 0.000 0.515 70 F N 2.373 122.328 119.950 0.009 0.000 2.234 70 F HA 0.016 4.587 4.527 0.073 0.000 0.299 70 F C 2.255 178.114 175.800 0.098 0.000 1.087 70 F CA 0.988 59.035 58.000 0.078 0.000 1.340 70 F CB -0.967 38.195 39.000 0.270 0.000 1.031 70 F HN 0.208 nan 8.300 nan 0.000 0.500 71 K N 1.336 121.544 120.400 -0.319 0.000 2.026 71 K HA -0.058 4.306 4.320 0.073 0.000 0.208 71 K C 2.278 178.848 176.600 -0.050 0.000 1.048 71 K CA 2.490 58.701 56.287 -0.126 0.000 0.929 71 K CB -1.692 30.651 32.500 -0.263 0.000 0.713 71 K HN 0.534 nan 8.250 nan 0.000 0.439 72 K N 0.562 120.907 120.400 -0.092 0.000 2.097 72 K HA 0.271 4.635 4.320 0.073 0.000 0.206 72 K C 2.685 179.288 176.600 0.005 0.000 1.049 72 K CA 1.822 58.083 56.287 -0.044 0.000 0.933 72 K CB -1.253 31.210 32.500 -0.062 0.000 0.717 72 K HN 0.802 nan 8.250 nan 0.000 0.442 73 A N 0.578 123.410 122.820 0.020 0.000 1.877 73 A HA -0.012 4.352 4.320 0.073 0.000 0.216 73 A C 2.606 180.269 177.584 0.133 0.000 1.186 73 A CA 1.879 53.946 52.037 0.051 0.000 0.620 73 A CB -0.574 18.418 19.000 -0.013 0.000 0.822 73 A HN 0.318 nan 8.150 nan 0.000 0.443 74 V N 0.123 120.134 119.914 0.161 0.000 2.295 74 V HA -0.206 3.958 4.120 0.073 0.000 0.246 74 V C 2.524 178.669 176.094 0.086 0.000 1.049 74 V CA 1.640 63.992 62.300 0.086 0.000 1.024 74 V CB -0.709 31.059 31.823 -0.092 0.000 0.648 74 V HN 0.475 nan 8.190 nan 0.000 0.447 75 L N 0.097 121.349 121.223 0.050 0.000 2.042 75 L HA -0.161 4.223 4.340 0.073 0.000 0.210 75 L C 1.595 178.514 176.870 0.083 0.000 1.076 75 L CA 1.902 56.774 54.840 0.054 0.000 0.749 75 L CB -1.300 40.771 42.059 0.020 0.000 0.893 75 L HN 0.418 nan 8.230 nan 0.000 0.432 76 D N -0.094 120.353 120.400 0.079 0.000 2.434 76 D HA 0.119 4.802 4.640 0.073 0.000 0.232 76 D C 0.466 176.822 176.300 0.093 0.000 1.166 76 D CA 0.185 54.227 54.000 0.070 0.000 0.830 76 D CB 0.272 41.097 40.800 0.042 0.000 0.960 76 D HN 0.329 nan 8.370 nan 0.000 0.497 77 S N -1.265 114.523 115.700 0.146 0.000 2.570 77 S HA 0.303 4.817 4.470 0.073 0.000 0.270 77 S C 0.063 174.712 174.600 0.081 0.000 1.149 77 S CA -0.817 57.460 58.200 0.128 0.000 0.837 77 S CB 2.460 65.757 63.200 0.162 0.000 1.124 77 S HN -0.279 nan 8.310 nan 0.000 0.465 78 D N 0.177 120.541 120.400 -0.060 0.000 2.271 78 D HA 0.205 4.889 4.640 0.073 0.000 0.206 78 D C 0.435 176.412 176.300 -0.537 0.000 0.967 78 D CA 0.939 54.813 54.000 -0.210 0.000 0.867 78 D CB 0.715 41.446 40.800 -0.115 0.000 0.960 78 D HN 0.407 nan 8.370 nan 0.000 0.509 79 V N -0.223 119.439 119.914 -0.420 0.000 2.932 79 V HA 0.438 4.602 4.120 0.073 0.000 0.307 79 V C -1.490 174.507 176.094 -0.162 0.000 1.147 79 V CA -0.555 61.470 62.300 -0.457 0.000 0.951 79 V CB 2.370 33.952 31.823 -0.402 0.000 1.031 79 V HN -0.149 nan 8.190 nan 0.000 0.426 80 S N 6.172 121.864 115.700 -0.014 0.000 2.456 80 S HA 0.673 5.186 4.470 0.073 0.000 0.316 80 S C -0.912 173.678 174.600 -0.017 0.000 1.089 80 S CA -0.202 58.108 58.200 0.184 0.000 1.101 80 S CB 0.939 64.335 63.200 0.327 0.000 0.995 80 S HN 0.547 nan 8.310 nan 0.000 0.468 81 F N 2.690 122.754 119.950 0.190 0.000 2.411 81 F HA 0.427 4.997 4.527 0.073 0.000 0.355 81 F C 0.494 176.397 175.800 0.172 0.000 1.117 81 F CA -0.668 57.417 58.000 0.141 0.000 1.139 81 F CB 0.512 39.583 39.000 0.118 0.000 1.120 81 F HN 0.388 nan 8.300 nan 0.000 0.493 82 I N 4.150 124.877 120.570 0.261 0.000 2.301 82 I HA 0.112 4.326 4.170 0.073 0.000 0.292 82 I C -0.339 175.890 176.117 0.186 0.000 1.046 82 I CA 0.016 61.424 61.300 0.179 0.000 1.282 82 I CB 0.546 38.579 38.000 0.055 0.000 1.409 82 I HN 0.665 nan 8.210 nan 0.000 0.484 83 C N 6.322 125.733 119.300 0.185 0.000 2.778 83 C HA 0.225 4.729 4.460 0.073 0.000 0.252 83 C C 0.746 175.786 174.990 0.084 0.000 1.693 83 C CA -0.627 58.463 59.018 0.121 0.000 1.724 83 C CB -1.018 26.785 27.740 0.105 0.000 3.153 83 C HN 0.623 nan 8.230 nan 0.000 0.493 84 V N -0.055 119.910 119.914 0.085 0.000 3.214 84 V HA 0.854 5.018 4.120 0.073 0.000 0.306 84 V C 0.821 176.926 176.094 0.019 0.000 1.078 84 V CA 0.016 62.339 62.300 0.038 0.000 1.077 84 V CB 0.196 32.064 31.823 0.075 0.000 1.121 84 V HN 0.419 nan 8.190 nan 0.000 0.468 85 G N 0.808 109.567 108.800 -0.069 0.000 2.544 85 G HA2 0.489 4.492 3.960 0.073 0.000 0.242 85 G HA3 0.489 4.492 3.960 0.073 0.000 0.242 85 G C 0.231 175.207 174.900 0.126 0.000 1.247 85 G CA 0.294 45.378 45.100 -0.026 0.000 0.840 85 G HN 1.678 nan 8.290 nan 0.000 0.578 86 T N -0.113 114.511 114.554 0.117 0.000 3.583 86 T HA 0.471 4.865 4.350 0.073 0.000 0.266 86 T C -2.176 172.597 174.700 0.122 0.000 1.296 86 T CA -1.155 61.031 62.100 0.143 0.000 1.668 86 T CB 1.461 70.395 68.868 0.110 0.000 0.832 86 T HN 0.486 nan 8.240 nan 0.000 0.649 87 P HA 0.440 nan 4.420 nan 0.000 0.277 87 P C -0.226 177.131 177.300 0.094 0.000 1.271 87 P CA -0.368 62.798 63.100 0.110 0.000 0.795 87 P CB 0.869 32.648 31.700 0.132 0.000 1.101 88 S N -0.110 115.635 115.700 0.075 0.000 2.565 88 S HA 0.171 4.685 4.470 0.073 0.000 0.276 88 S C 0.438 175.069 174.600 0.052 0.000 1.326 88 S CA -0.411 57.826 58.200 0.062 0.000 1.045 88 S CB 0.205 63.436 63.200 0.053 0.000 0.918 88 S HN 0.273 nan 8.310 nan 0.000 0.505 89 K N 1.599 122.023 120.400 0.040 0.000 2.118 89 K HA 0.356 4.720 4.320 0.073 0.000 0.240 89 K C 1.758 178.373 176.600 0.025 0.000 1.035 89 K CA -0.198 56.105 56.287 0.027 0.000 0.899 89 K CB 0.119 32.630 32.500 0.017 0.000 1.085 89 K HN 0.535 nan 8.250 nan 0.000 0.498 90 K N 1.081 121.493 120.400 0.019 0.000 2.152 90 K HA -0.166 4.197 4.320 0.073 0.000 0.206 90 K C 1.231 177.841 176.600 0.017 0.000 1.048 90 K CA 2.228 58.526 56.287 0.018 0.000 0.933 90 K CB -1.078 31.430 32.500 0.013 0.000 0.721 90 K HN 0.784 nan 8.250 nan 0.000 0.447 91 N N -1.250 117.459 118.700 0.015 0.000 2.398 91 N HA 0.175 4.959 4.740 0.073 0.000 0.188 91 N C 1.303 176.823 175.510 0.018 0.000 1.122 91 N CA 1.058 54.116 53.050 0.014 0.000 0.866 91 N CB 0.401 38.894 38.487 0.009 0.000 0.970 91 N HN 0.679 nan 8.380 nan 0.000 0.462 92 G N -0.507 108.307 108.800 0.024 0.000 2.258 92 G HA2 -0.290 3.713 3.960 0.073 0.000 0.233 92 G HA3 -0.290 3.713 3.960 0.073 0.000 0.233 92 G C -0.197 174.724 174.900 0.035 0.000 1.006 92 G CA 0.163 45.282 45.100 0.031 0.000 0.620 92 G HN 0.620 nan 8.290 nan 0.000 0.511 93 D N 0.263 120.678 120.400 0.026 0.000 2.361 93 D HA 0.400 5.084 4.640 0.073 0.000 0.239 93 D C 0.788 177.112 176.300 0.040 0.000 1.200 93 D CA -0.450 53.565 54.000 0.024 0.000 0.915 93 D CB 0.620 41.427 40.800 0.012 0.000 1.170 93 D HN 0.389 nan 8.370 nan 0.000 0.444 94 L N 2.229 123.480 121.223 0.047 0.000 2.410 94 L HA 0.172 4.556 4.340 0.073 0.000 0.273 94 L C -0.338 176.563 176.870 0.051 0.000 1.152 94 L CA 0.071 54.953 54.840 0.070 0.000 0.855 94 L CB 0.719 42.830 42.059 0.085 0.000 1.129 94 L HN 0.246 nan 8.230 nan 0.000 0.463 95 D N 4.374 124.810 120.400 0.060 0.000 2.313 95 D HA 0.165 4.849 4.640 0.073 0.000 0.239 95 D C 0.219 176.544 176.300 0.042 0.000 1.142 95 D CA -0.268 53.753 54.000 0.035 0.000 0.847 95 D CB 1.094 41.917 40.800 0.038 0.000 1.082 95 D HN 0.421 nan 8.370 nan 0.000 0.480 96 L N 3.879 125.107 121.223 0.008 0.000 2.628 96 L HA 0.291 4.675 4.340 0.073 0.000 0.229 96 L C 2.205 179.056 176.870 -0.032 0.000 1.137 96 L CA 0.193 55.042 54.840 0.014 0.000 0.909 96 L CB -0.370 41.695 42.059 0.010 0.000 1.137 96 L HN 0.611 nan 8.230 nan 0.000 0.470 97 G N -0.388 108.338 108.800 -0.123 0.000 2.529 97 G HA2 -0.345 3.659 3.960 0.073 0.000 0.219 97 G HA3 -0.345 3.659 3.960 0.073 0.000 0.219 97 G C 1.404 176.170 174.900 -0.224 0.000 1.177 97 G CA 1.086 46.039 45.100 -0.245 0.000 0.773 97 G HN 0.353 nan 8.290 nan 0.000 0.573 98 Y N 0.453 120.755 120.300 0.004 0.000 2.263 98 Y HA 0.142 4.736 4.550 0.073 0.000 0.292 98 Y C 2.785 178.678 175.900 -0.011 0.000 1.130 98 Y CA 0.251 58.353 58.100 0.003 0.000 1.179 98 Y CB -0.269 38.203 38.460 0.021 0.000 0.998 98 Y HN 0.117 nan 8.280 nan 0.000 0.532 99 I N 0.165 120.817 120.570 0.137 0.000 2.142 99 I HA -0.292 3.922 4.170 0.073 0.000 0.240 99 I C 2.092 178.207 176.117 -0.002 0.000 1.078 99 I CA 1.683 63.019 61.300 0.061 0.000 1.343 99 I CB -0.532 37.502 38.000 0.056 0.000 1.046 99 I HN 0.324 nan 8.210 nan 0.000 0.405 100 E N 0.363 120.553 120.200 -0.015 0.000 2.070 100 E HA -0.214 4.180 4.350 0.073 0.000 0.197 100 E C 2.096 178.656 176.600 -0.067 0.000 1.004 100 E CA 2.040 58.414 56.400 -0.043 0.000 0.805 100 E CB -0.147 29.526 29.700 -0.046 0.000 0.744 100 E HN 0.456 nan 8.360 nan 0.000 0.451 101 T N 0.628 115.147 114.554 -0.057 0.000 2.708 101 T HA -0.139 4.255 4.350 0.073 0.000 0.266 101 T C 2.057 176.676 174.700 -0.134 0.000 1.037 101 T CA 1.097 63.151 62.100 -0.077 0.000 1.146 101 T CB -0.238 68.613 68.868 -0.030 0.000 0.865 101 T HN -0.020 nan 8.240 nan 0.000 0.435 102 V N 0.804 120.652 119.914 -0.110 0.000 2.407 102 V HA -0.194 3.969 4.120 0.073 0.000 0.248 102 V C 2.772 178.685 176.094 -0.302 0.000 1.055 102 V CA 1.313 63.485 62.300 -0.213 0.000 1.049 102 V CB -0.661 31.066 31.823 -0.161 0.000 0.662 102 V HN 0.631 nan 8.190 nan 0.000 0.455 103 C N -0.460 118.717 119.300 -0.206 0.000 2.425 103 C HA -0.119 4.384 4.460 0.073 0.000 0.277 103 C C 2.832 177.700 174.990 -0.204 0.000 1.280 103 C CA 0.814 59.712 59.018 -0.199 0.000 1.744 103 C CB -1.171 26.497 27.740 -0.120 0.000 1.989 103 C HN 0.510 nan 8.230 nan 0.000 0.491 104 R N 0.631 121.025 120.500 -0.177 0.000 2.073 104 R HA -0.088 4.296 4.340 0.073 0.000 0.229 104 R C 2.116 178.299 176.300 -0.195 0.000 1.120 104 R CA 1.156 57.164 56.100 -0.153 0.000 0.967 104 R CB -0.301 29.932 30.300 -0.111 0.000 0.862 104 R HN 0.645 nan 8.270 nan 0.000 0.436 105 E N 0.788 120.797 120.200 -0.318 0.000 2.038 105 E HA -0.204 4.190 4.350 0.073 0.000 0.195 105 E C 2.022 178.469 176.600 -0.255 0.000 1.000 105 E CA 1.363 57.461 56.400 -0.504 0.000 0.803 105 E CB -0.147 28.921 29.700 -1.054 0.000 0.750 105 E HN 0.290 nan 8.360 nan 0.000 0.448 106 I N 0.764 121.140 120.570 -0.324 0.000 2.226 106 I HA -0.206 4.007 4.170 0.073 0.000 0.245 106 I C 2.557 178.523 176.117 -0.251 0.000 1.100 106 I CA 1.169 62.292 61.300 -0.295 0.000 1.374 106 I CB -0.635 37.105 38.000 -0.434 0.000 1.057 106 I HN 0.196 nan 8.210 nan 0.000 0.413 107 G N 0.485 109.134 108.800 -0.252 0.000 2.446 107 G HA2 -0.331 3.673 3.960 0.073 0.000 0.217 107 G HA3 -0.331 3.673 3.960 0.073 0.000 0.217 107 G C 1.867 176.685 174.900 -0.137 0.000 1.168 107 G CA 1.366 46.325 45.100 -0.235 0.000 0.771 107 G HN 0.425 nan 8.290 nan 0.000 0.551 108 F N 1.095 121.003 119.950 -0.071 0.000 2.075 108 F HA 0.280 4.851 4.527 0.073 0.000 0.297 108 F C 3.136 178.946 175.800 0.016 0.000 1.113 108 F CA 1.875 59.875 58.000 -0.001 0.000 1.218 108 F CB -1.281 37.757 39.000 0.063 0.000 0.984 108 F HN 0.489 nan 8.300 nan 0.000 0.472 109 A N -0.196 122.656 122.820 0.054 0.000 1.940 109 A HA -0.092 4.272 4.320 0.073 0.000 0.219 109 A C 2.292 179.845 177.584 -0.051 0.000 1.176 109 A CA 1.794 53.856 52.037 0.043 0.000 0.631 109 A CB -0.942 18.125 19.000 0.112 0.000 0.814 109 A HN 0.685 nan 8.150 nan 0.000 0.446 110 I N -1.394 119.106 120.570 -0.118 0.000 2.353 110 I HA -0.189 4.025 4.170 0.073 0.000 0.248 110 I C 2.590 178.669 176.117 -0.063 0.000 1.119 110 I CA 1.195 62.412 61.300 -0.138 0.000 1.417 110 I CB -0.285 37.566 38.000 -0.249 0.000 1.078 110 I HN 0.404 nan 8.210 nan 0.000 0.421 111 R N 1.343 121.813 120.500 -0.051 0.000 2.153 111 R HA -0.286 4.098 4.340 0.073 0.000 0.252 111 R C 2.239 178.538 176.300 -0.001 0.000 1.158 111 R CA 2.441 58.532 56.100 -0.015 0.000 0.975 111 R CB -0.248 30.046 30.300 -0.010 0.000 0.871 111 R HN 0.484 nan 8.270 nan 0.000 0.450 112 E N 0.503 120.699 120.200 -0.006 0.000 2.033 112 E HA 0.024 4.418 4.350 0.073 0.000 0.189 112 E C 1.071 177.676 176.600 0.008 0.000 0.979 112 E CA 1.127 57.528 56.400 0.001 0.000 0.802 112 E CB -0.897 28.802 29.700 -0.003 0.000 0.763 112 E HN 0.670 nan 8.360 nan 0.000 0.449 113 K N 0.558 120.960 120.400 0.005 0.000 2.548 113 K HA 0.321 4.685 4.320 0.073 0.000 0.277 113 K C 1.427 178.051 176.600 0.039 0.000 1.001 113 K CA 0.780 57.081 56.287 0.024 0.000 1.102 113 K CB -1.140 31.376 32.500 0.027 0.000 0.848 113 K HN 0.877 nan 8.250 nan 0.000 0.487 114 S N 1.770 117.495 115.700 0.042 0.000 2.371 114 S HA 0.052 4.566 4.470 0.073 0.000 0.219 114 S C 0.947 175.578 174.600 0.052 0.000 1.040 114 S CA 0.980 59.204 58.200 0.041 0.000 0.958 114 S CB -0.023 63.196 63.200 0.032 0.000 0.860 114 S HN 0.854 nan 8.310 nan 0.000 0.487 115 E N 0.984 121.220 120.200 0.059 0.000 2.390 115 E HA 0.256 4.650 4.350 0.073 0.000 0.261 115 E C 0.039 176.694 176.600 0.092 0.000 1.076 115 E CA -0.634 55.805 56.400 0.064 0.000 0.905 115 E CB 0.650 30.386 29.700 0.061 0.000 0.984 115 E HN 0.500 nan 8.360 nan 0.000 0.427 116 R N 2.193 122.742 120.500 0.082 0.000 2.522 116 R HA 0.018 4.402 4.340 0.073 0.000 0.284 116 R C -0.791 175.588 176.300 0.131 0.000 1.032 116 R CA 0.095 56.261 56.100 0.110 0.000 1.049 116 R CB 0.372 30.714 30.300 0.071 0.000 0.956 116 R HN 0.582 nan 8.270 nan 0.000 0.422 117 H N 1.253 120.373 119.070 0.083 0.000 2.651 117 H HA 0.416 5.016 4.556 0.073 0.000 0.353 117 H C -1.052 174.324 175.328 0.081 0.000 1.178 117 H CA -0.391 55.690 56.048 0.055 0.000 1.224 117 H CB 2.155 31.931 29.762 0.024 0.000 1.702 117 H HN 0.688 nan 8.280 nan 0.000 0.550 118 T N 2.999 117.434 114.554 -0.199 0.000 2.841 118 T HA 0.380 4.774 4.350 0.073 0.000 0.285 118 T C -1.109 173.570 174.700 -0.035 0.000 0.991 118 T CA -0.708 61.353 62.100 -0.065 0.000 0.966 118 T CB 1.016 69.783 68.868 -0.168 0.000 0.962 118 T HN 0.313 nan 8.240 nan 0.000 0.438 119 V N 3.843 123.794 119.914 0.061 0.000 2.417 119 V HA 0.580 4.744 4.120 0.073 0.000 0.291 119 V C -0.350 175.715 176.094 -0.047 0.000 1.024 119 V CA -0.703 61.601 62.300 0.008 0.000 0.861 119 V CB 1.657 33.496 31.823 0.027 0.000 0.985 119 V HN 0.708 nan 8.190 nan 0.000 0.436 120 V N 5.455 125.292 119.914 -0.129 0.000 2.483 120 V HA 0.390 4.554 4.120 0.073 0.000 0.297 120 V C -0.199 175.925 176.094 0.049 0.000 1.027 120 V CA -0.683 61.568 62.300 -0.083 0.000 0.855 120 V CB 2.089 33.752 31.823 -0.267 0.000 0.995 120 V HN 0.609 nan 8.190 nan 0.000 0.424 121 V N 6.570 126.532 119.914 0.079 0.000 2.368 121 V HA 0.348 4.512 4.120 0.073 0.000 0.266 121 V C 1.223 177.395 176.094 0.130 0.000 1.045 121 V CA -0.383 61.976 62.300 0.097 0.000 0.899 121 V CB 0.897 32.758 31.823 0.064 0.000 1.006 121 V HN 0.807 nan 8.190 nan 0.000 0.470 122 R N 1.620 122.220 120.500 0.166 0.000 2.189 122 R HA 0.145 4.529 4.340 0.073 0.000 0.203 122 R C 0.930 177.250 176.300 0.034 0.000 1.012 122 R CA 0.107 56.276 56.100 0.116 0.000 1.015 122 R CB 0.067 30.451 30.300 0.140 0.000 0.938 122 R HN 0.600 nan 8.270 nan 0.000 0.472 123 S N 1.462 117.194 115.700 0.052 0.000 2.563 123 S HA 0.008 4.522 4.470 0.073 0.000 0.284 123 S C 0.223 174.821 174.600 -0.003 0.000 1.331 123 S CA 0.379 58.594 58.200 0.026 0.000 1.047 123 S CB 0.818 64.050 63.200 0.054 0.000 0.859 123 S HN 0.104 nan 8.310 nan 0.000 0.514 124 T N 3.310 117.838 114.554 -0.044 0.000 2.752 124 T HA 0.432 4.826 4.350 0.073 0.000 0.295 124 T C 0.101 174.820 174.700 0.032 0.000 0.923 124 T CA -0.414 61.627 62.100 -0.098 0.000 1.112 124 T CB -0.230 68.486 68.868 -0.254 0.000 0.884 124 T HN 0.548 nan 8.240 nan 0.000 0.525 125 V N 2.422 122.419 119.914 0.138 0.000 3.007 125 V HA 0.668 4.832 4.120 0.073 0.000 0.311 125 V C -0.284 176.035 176.094 0.374 0.000 1.120 125 V CA -1.457 60.982 62.300 0.232 0.000 0.980 125 V CB 1.393 33.293 31.823 0.128 0.000 1.033 125 V HN 0.703 nan 8.190 nan 0.000 0.429 126 L N 2.544 123.906 121.223 0.231 0.000 2.473 126 L HA 0.366 4.750 4.340 0.073 0.000 0.268 126 L C -2.060 174.829 176.870 0.033 0.000 1.215 126 L CA -1.234 53.605 54.840 -0.002 0.000 0.823 126 L CB 0.357 42.332 42.059 -0.140 0.000 1.099 126 L HN 0.489 nan 8.230 nan 0.000 0.483 127 P HA 0.075 nan 4.420 nan 0.000 0.265 127 P C 0.608 177.912 177.300 0.006 0.000 1.193 127 P CA 0.752 63.862 63.100 0.017 0.000 0.765 127 P CB 0.805 32.506 31.700 0.001 0.000 0.823 128 G N 1.786 110.598 108.800 0.020 0.000 2.232 128 G HA2 -0.281 3.723 3.960 0.073 0.000 0.226 128 G HA3 -0.281 3.723 3.960 0.073 0.000 0.226 128 G C 1.226 176.138 174.900 0.021 0.000 0.996 128 G CA 0.505 45.614 45.100 0.015 0.000 0.626 128 G HN 0.456 nan 8.290 nan 0.000 0.509 129 T N 1.003 115.576 114.554 0.030 0.000 2.701 129 T HA -0.023 4.370 4.350 0.073 0.000 0.263 129 T C 2.497 177.218 174.700 0.035 0.000 1.040 129 T CA 1.936 64.057 62.100 0.035 0.000 1.147 129 T CB -0.299 68.600 68.868 0.051 0.000 0.865 129 T HN 0.296 nan 8.240 nan 0.000 0.426 130 V N 2.375 122.314 119.914 0.042 0.000 2.287 130 V HA -0.211 3.953 4.120 0.073 0.000 0.248 130 V C 2.926 179.043 176.094 0.038 0.000 1.053 130 V CA 2.307 64.633 62.300 0.043 0.000 1.027 130 V CB -1.437 30.414 31.823 0.047 0.000 0.646 130 V HN 0.758 nan 8.190 nan 0.000 0.447 131 N N 0.128 118.847 118.700 0.031 0.000 2.300 131 N HA -0.138 4.646 4.740 0.073 0.000 0.179 131 N C 1.535 177.058 175.510 0.022 0.000 1.016 131 N CA 1.432 54.497 53.050 0.025 0.000 0.876 131 N CB -0.462 38.036 38.487 0.019 0.000 0.979 131 N HN 0.643 nan 8.380 nan 0.000 0.432 132 N N -0.801 117.911 118.700 0.020 0.000 2.282 132 N HA 0.141 4.925 4.740 0.073 0.000 0.185 132 N C 0.954 176.472 175.510 0.014 0.000 1.099 132 N CA 0.680 53.739 53.050 0.015 0.000 0.878 132 N CB 1.188 39.681 38.487 0.010 0.000 0.993 132 N HN 0.420 nan 8.380 nan 0.000 0.481 133 V N -0.700 119.224 119.914 0.017 0.000 3.102 133 V HA 0.097 4.260 4.120 0.073 0.000 0.225 133 V C 2.054 178.155 176.094 0.012 0.000 1.301 133 V CA 0.235 62.541 62.300 0.011 0.000 1.308 133 V CB 0.118 31.948 31.823 0.011 0.000 1.129 133 V HN -0.157 nan 8.190 nan 0.000 0.502 134 V N 0.642 120.568 119.914 0.020 0.000 2.270 134 V HA -0.211 3.952 4.120 0.073 0.000 0.245 134 V C 2.228 178.346 176.094 0.040 0.000 1.043 134 V CA 2.427 64.738 62.300 0.018 0.000 1.014 134 V CB -0.392 31.447 31.823 0.027 0.000 0.645 134 V HN 0.406 nan 8.190 nan 0.000 0.447 135 I N 0.077 120.690 120.570 0.071 0.000 2.127 135 I HA -0.171 4.042 4.170 0.073 0.000 0.241 135 I C -0.057 176.125 176.117 0.108 0.000 1.075 135 I CA 1.824 63.198 61.300 0.124 0.000 1.334 135 I CB -1.547 36.508 38.000 0.091 0.000 1.040 135 I HN 0.351 nan 8.210 nan 0.000 0.405 136 P HA -0.198 nan 4.420 nan 0.000 0.214 136 P C 1.997 179.316 177.300 0.032 0.000 1.163 136 P CA 1.628 64.754 63.100 0.044 0.000 0.889 136 P CB -0.022 31.692 31.700 0.024 0.000 0.790 137 L N -1.484 119.745 121.223 0.010 0.000 1.989 137 L HA -0.200 4.183 4.340 0.073 0.000 0.211 137 L C 2.525 179.372 176.870 -0.037 0.000 1.071 137 L CA 1.588 56.416 54.840 -0.019 0.000 0.749 137 L CB -0.808 41.228 42.059 -0.037 0.000 0.890 137 L HN -0.063 nan 8.230 nan 0.000 0.431 138 I N -0.509 120.033 120.570 -0.047 0.000 2.113 138 I HA -0.301 3.913 4.170 0.073 0.000 0.238 138 I C 2.529 178.602 176.117 -0.074 0.000 1.070 138 I CA 1.396 62.609 61.300 -0.145 0.000 1.332 138 I CB -0.414 37.427 38.000 -0.266 0.000 1.044 138 I HN 0.283 nan 8.210 nan 0.000 0.402 139 E N 0.788 121.062 120.200 0.123 0.000 2.086 139 E HA -0.318 4.076 4.350 0.073 0.000 0.200 139 E C 2.016 178.669 176.600 0.089 0.000 1.012 139 E CA 2.029 58.555 56.400 0.210 0.000 0.812 139 E CB -0.492 29.331 29.700 0.205 0.000 0.743 139 E HN 0.705 nan 8.360 nan 0.000 0.453 140 D N 0.032 120.460 120.400 0.046 0.000 2.178 140 D HA -0.109 4.575 4.640 0.073 0.000 0.202 140 D C 1.971 178.273 176.300 0.003 0.000 0.974 140 D CA 1.243 55.256 54.000 0.023 0.000 0.841 140 D CB -0.789 40.019 40.800 0.013 0.000 0.953 140 D HN 0.212 nan 8.370 nan 0.000 0.478 141 C N 0.507 119.796 119.300 -0.020 0.000 2.512 141 C HA 0.166 4.669 4.460 0.073 0.000 0.276 141 C C 3.215 178.181 174.990 -0.040 0.000 1.368 141 C CA 1.304 60.300 59.018 -0.036 0.000 1.755 141 C CB -0.186 27.515 27.740 -0.065 0.000 2.008 141 C HN 0.678 nan 8.230 nan 0.000 0.511 142 S N -0.203 115.466 115.700 -0.051 0.000 2.439 142 S HA 0.267 4.780 4.470 0.073 0.000 0.224 142 S C 1.660 176.267 174.600 0.011 0.000 1.029 142 S CA 1.368 59.539 58.200 -0.047 0.000 0.946 142 S CB -0.336 62.801 63.200 -0.105 0.000 0.797 142 S HN 1.027 nan 8.310 nan 0.000 0.504 143 G N 0.443 109.265 108.800 0.037 0.000 2.157 143 G HA2 -0.213 3.791 3.960 0.073 0.000 0.239 143 G HA3 -0.213 3.791 3.960 0.073 0.000 0.239 143 G C 0.025 174.971 174.900 0.077 0.000 0.982 143 G CA 0.402 45.530 45.100 0.047 0.000 0.650 143 G HN 0.631 nan 8.290 nan 0.000 0.527 144 K N 0.093 120.574 120.400 0.135 0.000 2.288 144 K HA 0.859 5.223 4.320 0.073 0.000 0.234 144 K C 0.399 177.130 176.600 0.217 0.000 1.037 144 K CA 0.356 56.760 56.287 0.194 0.000 0.914 144 K CB 0.844 33.536 32.500 0.320 0.000 1.197 144 K HN 0.559 nan 8.250 nan 0.000 0.471 145 K N 0.077 120.537 120.400 0.100 0.000 2.267 145 K HA 0.794 5.158 4.320 0.073 0.000 0.246 145 K C -0.630 175.720 176.600 -0.417 0.000 0.954 145 K CA -0.537 55.722 56.287 -0.047 0.000 0.824 145 K CB 1.452 33.918 32.500 -0.057 0.000 1.167 145 K HN 0.724 nan 8.250 nan 0.000 0.431 146 A N 0.105 122.616 122.820 -0.515 0.000 2.407 146 A HA 0.659 5.023 4.320 0.073 0.000 0.248 146 A C 1.597 178.887 177.584 -0.489 0.000 1.082 146 A CA 1.165 52.689 52.037 -0.856 0.000 0.785 146 A CB -0.438 18.319 19.000 -0.406 0.000 1.020 146 A HN 2.505 nan 8.150 nan 0.000 0.489 147 G N -0.247 108.273 108.800 -0.467 0.000 4.677 147 G HA2 -0.150 3.854 3.960 0.073 0.000 0.215 147 G HA3 -0.150 3.854 3.960 0.073 0.000 0.215 147 G C 1.396 176.185 174.900 -0.184 0.000 1.506 147 G CA 1.274 46.231 45.100 -0.239 0.000 1.016 147 G HN 1.922 nan 8.290 nan 0.000 0.653 148 V N 0.027 119.843 119.914 -0.164 0.000 2.358 148 V HA 0.266 4.430 4.120 0.073 0.000 0.246 148 V C 2.494 178.542 176.094 -0.077 0.000 1.047 148 V CA 4.048 66.289 62.300 -0.097 0.000 1.035 148 V CB -1.304 30.477 31.823 -0.071 0.000 0.658 148 V HN 1.229 nan 8.190 nan 0.000 0.452 149 D N -0.150 120.185 120.400 -0.108 0.000 2.290 149 D HA 0.362 5.046 4.640 0.073 0.000 0.224 149 D C 0.815 177.165 176.300 0.084 0.000 0.967 149 D CA 1.000 55.001 54.000 0.003 0.000 0.893 149 D CB -0.085 40.761 40.800 0.075 0.000 1.037 149 D HN 0.915 nan 8.370 nan 0.000 0.477 150 F N -1.814 118.145 119.950 0.016 0.000 2.551 150 F HA 0.692 5.262 4.527 0.073 0.000 0.316 150 F C 0.311 176.116 175.800 0.009 0.000 1.089 150 F CA -1.805 56.210 58.000 0.025 0.000 0.915 150 F CB 1.506 40.531 39.000 0.041 0.000 1.186 150 F HN 0.137 nan 8.300 nan 0.000 0.456 151 G N 1.531 110.428 108.800 0.161 0.000 2.483 151 G HA2 0.517 4.521 3.960 0.073 0.000 0.248 151 G HA3 0.517 4.521 3.960 0.073 0.000 0.248 151 G C -1.451 173.534 174.900 0.141 0.000 1.248 151 G CA -0.578 44.558 45.100 0.060 0.000 0.838 151 G HN 0.762 nan 8.290 nan 0.000 0.566 152 V N 0.785 120.732 119.914 0.055 0.000 2.851 152 V HA 0.886 5.050 4.120 0.073 0.000 0.307 152 V C 0.445 176.560 176.094 0.036 0.000 1.129 152 V CA 0.202 62.552 62.300 0.082 0.000 0.932 152 V CB 1.768 33.654 31.823 0.105 0.000 1.024 152 V HN 1.348 nan 8.190 nan 0.000 0.426 153 G N 2.021 110.844 108.800 0.038 0.000 2.600 153 G HA2 0.784 4.788 3.960 0.073 0.000 0.293 153 G HA3 0.784 4.788 3.960 0.073 0.000 0.293 153 G C -0.827 174.104 174.900 0.053 0.000 1.408 153 G CA 0.138 45.261 45.100 0.039 0.000 0.782 153 G HN 0.899 nan 8.290 nan 0.000 0.482 154 T N -1.938 112.655 114.554 0.066 0.000 2.916 154 T HA 0.702 5.096 4.350 0.073 0.000 0.292 154 T C -0.569 174.191 174.700 0.099 0.000 1.055 154 T CA -0.879 61.267 62.100 0.078 0.000 1.009 154 T CB 2.228 71.135 68.868 0.065 0.000 1.118 154 T HN 0.735 nan 8.240 nan 0.000 0.497 155 N N 1.837 120.603 118.700 0.111 0.000 2.751 155 N HA 0.262 5.046 4.740 0.073 0.000 0.234 155 N C -3.099 172.418 175.510 0.011 0.000 1.403 155 N CA -1.233 51.886 53.050 0.115 0.000 0.747 155 N CB 1.376 40.033 38.487 0.283 0.000 1.326 155 N HN 0.324 nan 8.380 nan 0.000 0.532 156 P HA 0.027 nan 4.420 nan 0.000 0.268 156 P C -0.756 176.245 177.300 -0.499 0.000 1.208 156 P CA 0.390 63.314 63.100 -0.293 0.000 0.777 156 P CB 0.580 32.055 31.700 -0.375 0.000 0.875 157 E N 0.474 120.345 120.200 -0.548 0.000 2.221 157 E HA 0.544 4.937 4.350 0.073 0.000 0.268 157 E C -1.075 175.092 176.600 -0.721 0.000 0.933 157 E CA -0.475 55.635 56.400 -0.483 0.000 0.809 157 E CB 0.608 30.205 29.700 -0.172 0.000 1.190 157 E HN 0.239 nan 8.360 nan 0.000 0.406 158 F N 0.428 120.374 119.950 -0.006 0.000 2.791 158 F HA 0.324 4.895 4.527 0.073 0.000 0.316 158 F C -0.411 175.419 175.800 0.050 0.000 1.134 158 F CA -0.610 57.407 58.000 0.028 0.000 1.222 158 F CB 0.255 39.272 39.000 0.029 0.000 1.034 158 F HN 0.194 nan 8.300 nan 0.000 0.516 159 L N 1.468 122.776 121.223 0.142 0.000 2.426 159 L HA 0.348 4.732 4.340 0.073 0.000 0.271 159 L C 0.414 177.353 176.870 0.115 0.000 1.169 159 L CA -0.059 54.862 54.840 0.136 0.000 0.836 159 L CB 0.486 42.622 42.059 0.128 0.000 1.112 159 L HN 0.113 nan 8.230 nan 0.000 0.465 160 R N 1.695 122.259 120.500 0.107 0.000 2.460 160 R HA 0.320 4.704 4.340 0.073 0.000 0.303 160 R C -0.640 175.702 176.300 0.069 0.000 0.968 160 R CA -0.795 55.351 56.100 0.077 0.000 0.889 160 R CB 1.458 31.796 30.300 0.063 0.000 1.123 160 R HN 0.547 nan 8.270 nan 0.000 0.455 161 E N 0.994 121.221 120.200 0.045 0.000 2.413 161 E HA -0.082 4.312 4.350 0.073 0.000 0.263 161 E C 0.314 176.946 176.600 0.053 0.000 1.015 161 E CA 1.001 57.433 56.400 0.054 0.000 0.916 161 E CB 0.644 30.331 29.700 -0.022 0.000 0.947 161 E HN 0.861 nan 8.360 nan 0.000 0.440 162 S N 0.567 116.312 115.700 0.076 0.000 1.895 162 S HA -0.228 4.286 4.470 0.073 0.000 0.245 162 S C 0.738 175.375 174.600 0.062 0.000 1.057 162 S CA 1.246 59.484 58.200 0.062 0.000 1.369 162 S CB -1.726 61.499 63.200 0.042 0.000 1.690 162 S HN 0.775 nan 8.310 nan 0.000 0.555 163 T N -1.714 112.882 114.554 0.069 0.000 3.442 163 T HA 0.832 5.226 4.350 0.073 0.000 0.295 163 T C 1.362 176.122 174.700 0.100 0.000 1.007 163 T CA 0.759 62.907 62.100 0.079 0.000 0.962 163 T CB 0.519 69.430 68.868 0.072 0.000 1.187 163 T HN 1.253 nan 8.240 nan 0.000 0.490 164 A N 1.675 124.555 122.820 0.100 0.000 1.902 164 A HA 0.150 4.514 4.320 0.073 0.000 0.217 164 A C 2.054 179.720 177.584 0.137 0.000 1.181 164 A CA 1.161 53.269 52.037 0.118 0.000 0.623 164 A CB -0.651 18.415 19.000 0.110 0.000 0.818 164 A HN 0.632 nan 8.150 nan 0.000 0.443 165 I N -0.175 120.456 120.570 0.102 0.000 2.202 165 I HA -0.230 3.983 4.170 0.073 0.000 0.242 165 I C 3.124 179.328 176.117 0.145 0.000 1.091 165 I CA 1.643 62.999 61.300 0.093 0.000 1.368 165 I CB -0.412 37.614 38.000 0.043 0.000 1.058 165 I HN 0.429 nan 8.210 nan 0.000 0.410 166 K N 0.291 120.785 120.400 0.157 0.000 2.057 166 K HA -0.232 4.132 4.320 0.073 0.000 0.207 166 K C 1.678 178.429 176.600 0.252 0.000 1.049 166 K CA 2.136 58.562 56.287 0.232 0.000 0.931 166 K CB -1.049 31.577 32.500 0.209 0.000 0.714 166 K HN 0.318 nan 8.250 nan 0.000 0.440 167 D N -1.246 119.271 120.400 0.196 0.000 2.144 167 D HA -0.090 4.594 4.640 0.073 0.000 0.200 167 D C 1.759 178.153 176.300 0.157 0.000 0.978 167 D CA 1.121 55.227 54.000 0.176 0.000 0.833 167 D CB -0.327 40.564 40.800 0.152 0.000 0.961 167 D HN 0.592 nan 8.370 nan 0.000 0.470 168 Y N 1.740 122.073 120.300 0.055 0.000 2.200 168 Y HA -0.165 4.429 4.550 0.073 0.000 0.290 168 Y C 1.671 177.549 175.900 -0.037 0.000 1.137 168 Y CA 1.470 59.585 58.100 0.025 0.000 1.163 168 Y CB 0.054 38.523 38.460 0.015 0.000 0.988 168 Y HN -0.157 nan 8.280 nan 0.000 0.518 169 D N -0.690 119.769 120.400 0.097 0.000 2.183 169 D HA -0.084 4.600 4.640 0.073 0.000 0.203 169 D C -0.265 175.638 176.300 -0.661 0.000 0.969 169 D CA 1.269 55.095 54.000 -0.290 0.000 0.842 169 D CB -0.079 40.426 40.800 -0.491 0.000 0.957 169 D HN 0.250 nan 8.370 nan 0.000 0.484 170 F N 1.132 121.122 119.950 0.067 0.000 2.660 170 F HA 0.305 4.876 4.527 0.073 0.000 0.352 170 F C -2.179 173.628 175.800 0.011 0.000 1.257 170 F CA -2.053 55.967 58.000 0.032 0.000 1.200 170 F CB 1.314 40.335 39.000 0.034 0.000 1.473 170 F HN -0.247 nan 8.300 nan 0.000 0.561 171 P HA 0.314 nan 4.420 nan 0.000 0.278 171 P C -2.263 175.049 177.300 0.021 0.000 1.258 171 P CA -1.197 61.925 63.100 0.036 0.000 0.811 171 P CB 0.604 32.275 31.700 -0.049 0.000 1.063 175 V N 4.428 124.384 119.914 0.069 0.000 2.448 175 V HA 0.645 4.809 4.120 0.073 0.000 0.295 175 V C -0.391 175.745 176.094 0.069 0.000 1.025 175 V CA -0.732 61.633 62.300 0.107 0.000 0.859 175 V CB 1.669 33.641 31.823 0.247 0.000 0.988 175 V HN 0.782 nan 8.190 nan 0.000 0.431 176 I N 3.546 124.157 120.570 0.068 0.000 2.418 176 I HA 0.530 4.744 4.170 0.073 0.000 0.287 176 I C 0.696 176.855 176.117 0.069 0.000 1.008 176 I CA -0.412 60.935 61.300 0.079 0.000 1.104 176 I CB 1.981 40.034 38.000 0.088 0.000 1.264 176 I HN 0.733 nan 8.210 nan 0.000 0.438 177 G N 5.661 114.502 108.800 0.069 0.000 2.393 177 G HA2 0.414 4.418 3.960 0.073 0.000 0.311 177 G HA3 0.414 4.418 3.960 0.073 0.000 0.311 177 G C -0.337 174.593 174.900 0.050 0.000 1.067 177 G CA -0.296 44.838 45.100 0.058 0.000 1.000 177 G HN 0.742 nan 8.290 nan 0.000 0.422 178 E N 2.269 122.493 120.200 0.040 0.000 2.191 178 E HA 0.548 4.941 4.350 0.073 0.000 0.274 178 E C -0.479 176.131 176.600 0.017 0.000 0.948 178 E CA -0.934 55.484 56.400 0.030 0.000 0.802 178 E CB 2.004 31.721 29.700 0.029 0.000 1.137 178 E HN 0.227 nan 8.360 nan 0.000 0.397 179 L N 1.680 122.908 121.223 0.007 0.000 2.670 179 L HA 0.158 4.542 4.340 0.073 0.000 0.177 179 L C 0.013 176.872 176.870 -0.018 0.000 1.181 179 L CA 1.032 55.867 54.840 -0.007 0.000 0.856 179 L CB -0.098 41.952 42.059 -0.015 0.000 1.205 179 L HN 0.820 nan 8.230 nan 0.000 0.506 180 D N -0.810 119.574 120.400 -0.026 0.000 2.177 180 D HA 0.203 4.886 4.640 0.073 0.000 0.247 180 D C 0.692 176.983 176.300 -0.015 0.000 1.063 180 D CA 0.404 54.386 54.000 -0.030 0.000 0.867 180 D CB 1.775 42.544 40.800 -0.051 0.000 1.168 180 D HN 0.085 nan 8.370 nan 0.000 0.445 181 K N 1.707 122.100 120.400 -0.011 0.000 2.152 181 K HA -0.222 4.142 4.320 0.073 0.000 0.206 181 K C 2.444 179.044 176.600 -0.000 0.000 1.048 181 K CA 2.640 58.926 56.287 -0.002 0.000 0.933 181 K CB -1.670 30.829 32.500 -0.002 0.000 0.721 181 K HN 0.708 nan 8.250 nan 0.000 0.447 182 Q N 0.265 120.061 119.800 -0.008 0.000 2.061 182 Q HA -0.183 4.200 4.340 0.073 0.000 0.204 182 Q C 2.616 178.611 176.000 -0.008 0.000 0.984 182 Q CA 2.519 58.317 55.803 -0.008 0.000 0.846 182 Q CB -1.607 27.123 28.738 -0.013 0.000 0.902 182 Q HN 0.735 nan 8.270 nan 0.000 0.421 183 T N 0.019 114.567 114.554 -0.010 0.000 2.652 183 T HA -0.056 4.338 4.350 0.073 0.000 0.267 183 T C 2.101 176.807 174.700 0.009 0.000 1.039 183 T CA 1.574 63.667 62.100 -0.012 0.000 1.153 183 T CB -0.842 68.021 68.868 -0.009 0.000 0.863 183 T HN 0.761 nan 8.240 nan 0.000 0.428 184 G N 1.573 110.386 108.800 0.021 0.000 2.469 184 G HA2 -0.269 3.735 3.960 0.073 0.000 0.219 184 G HA3 -0.269 3.735 3.960 0.073 0.000 0.219 184 G C 1.331 176.260 174.900 0.048 0.000 1.150 184 G CA 1.167 46.293 45.100 0.042 0.000 0.763 184 G HN 0.388 nan 8.290 nan 0.000 0.561 185 D N -0.062 120.356 120.400 0.031 0.000 2.144 185 D HA -0.057 4.627 4.640 0.073 0.000 0.200 185 D C 2.413 178.732 176.300 0.032 0.000 0.978 185 D CA 0.305 54.324 54.000 0.031 0.000 0.833 185 D CB -0.251 40.561 40.800 0.019 0.000 0.961 185 D HN 0.307 nan 8.370 nan 0.000 0.470 186 L N 0.231 121.464 121.223 0.016 0.000 2.017 186 L HA -0.156 4.227 4.340 0.073 0.000 0.208 186 L C 2.272 179.152 176.870 0.018 0.000 1.073 186 L CA 1.053 55.894 54.840 0.001 0.000 0.745 186 L CB -0.130 41.909 42.059 -0.033 0.000 0.894 186 L HN 0.018 nan 8.230 nan 0.000 0.432 187 L N -0.138 121.120 121.223 0.058 0.000 2.083 187 L HA -0.202 4.182 4.340 0.073 0.000 0.209 187 L C 3.100 180.083 176.870 0.188 0.000 1.083 187 L CA 1.523 56.450 54.840 0.144 0.000 0.752 187 L CB -1.172 41.032 42.059 0.242 0.000 0.899 187 L HN 0.441 nan 8.230 nan 0.000 0.433 188 E N 0.634 120.922 120.200 0.146 0.000 2.085 188 E HA -0.281 4.113 4.350 0.073 0.000 0.194 188 E C 2.172 178.838 176.600 0.110 0.000 0.994 188 E CA 1.825 58.310 56.400 0.142 0.000 0.801 188 E CB -1.108 28.646 29.700 0.092 0.000 0.743 188 E HN 0.664 nan 8.360 nan 0.000 0.453 189 E N 0.399 120.638 120.200 0.065 0.000 2.077 189 E HA -0.020 4.374 4.350 0.073 0.000 0.193 189 E C 2.129 178.752 176.600 0.037 0.000 0.989 189 E CA 1.189 57.619 56.400 0.051 0.000 0.800 189 E CB -0.621 29.103 29.700 0.040 0.000 0.746 189 E HN 0.685 nan 8.360 nan 0.000 0.452 190 I N -0.992 119.555 120.570 -0.038 0.000 2.286 190 I HA -0.202 4.012 4.170 0.073 0.000 0.248 190 I C 1.891 177.890 176.117 -0.196 0.000 1.115 190 I CA 1.340 62.536 61.300 -0.174 0.000 1.392 190 I CB -0.017 37.718 38.000 -0.442 0.000 1.065 190 I HN 0.333 nan 8.210 nan 0.000 0.418 191 Y N -0.552 119.797 120.300 0.081 0.000 2.458 191 Y HA 0.176 4.770 4.550 0.073 0.000 0.256 191 Y C 2.163 178.084 175.900 0.034 0.000 1.159 191 Y CA -0.328 57.797 58.100 0.042 0.000 1.261 191 Y CB -0.405 38.065 38.460 0.017 0.000 1.119 191 Y HN -0.032 nan 8.280 nan 0.000 0.524 192 R N 1.262 121.858 120.500 0.159 0.000 2.134 192 R HA -0.279 4.104 4.340 0.073 0.000 0.248 192 R C 2.289 178.641 176.300 0.087 0.000 1.143 192 R CA 2.338 58.502 56.100 0.107 0.000 0.957 192 R CB -0.115 30.230 30.300 0.076 0.000 0.867 192 R HN 0.470 nan 8.270 nan 0.000 0.441 193 E N 0.807 121.057 120.200 0.083 0.000 2.338 193 E HA -0.005 4.389 4.350 0.073 0.000 0.197 193 E C 0.865 177.500 176.600 0.058 0.000 1.007 193 E CA 0.822 57.259 56.400 0.062 0.000 0.849 193 E CB -0.448 29.283 29.700 0.051 0.000 0.774 193 E HN 0.358 nan 8.360 nan 0.000 0.506 194 L N 1.349 122.614 121.223 0.071 0.000 2.416 194 L HA 0.188 4.572 4.340 0.073 0.000 0.272 194 L C 0.239 177.139 176.870 0.050 0.000 1.161 194 L CA -0.390 54.475 54.840 0.042 0.000 0.845 194 L CB 1.073 43.151 42.059 0.031 0.000 1.119 194 L HN 0.138 nan 8.230 nan 0.000 0.464 195 D N 3.162 123.602 120.400 0.067 0.000 2.558 195 D HA 0.516 5.199 4.640 0.073 0.000 0.221 195 D C -0.501 175.839 176.300 0.068 0.000 1.143 195 D CA 0.181 54.230 54.000 0.081 0.000 1.010 195 D CB 0.183 41.058 40.800 0.125 0.000 1.068 195 D HN 0.616 nan 8.370 nan 0.000 0.511 196 A N 2.819 125.661 122.820 0.037 0.000 2.583 196 A HA 0.524 4.888 4.320 0.073 0.000 0.292 196 A C -2.779 174.806 177.584 0.002 0.000 1.045 196 A CA -1.188 50.857 52.037 0.014 0.000 0.672 196 A CB 0.794 19.795 19.000 0.001 0.000 1.283 196 A HN 0.274 nan 8.150 nan 0.000 0.419 197 P HA 0.451 nan 4.420 nan 0.000 0.269 197 P C -0.805 176.486 177.300 -0.015 0.000 1.209 197 P CA 0.220 63.314 63.100 -0.010 0.000 0.776 197 P CB 0.491 32.179 31.700 -0.021 0.000 0.876 198 I N 3.047 123.619 120.570 0.003 0.000 2.321 198 I HA 0.335 4.549 4.170 0.073 0.000 0.291 198 I C 0.382 176.505 176.117 0.011 0.000 0.998 198 I CA -0.643 60.662 61.300 0.009 0.000 1.227 198 I CB 0.883 38.908 38.000 0.042 0.000 1.368 198 I HN 0.133 nan 8.210 nan 0.000 0.466 199 I N 6.867 127.442 120.570 0.009 0.000 2.382 199 I HA 0.409 4.623 4.170 0.073 0.000 0.286 199 I C -0.178 175.957 176.117 0.030 0.000 1.002 199 I CA -0.543 60.765 61.300 0.013 0.000 1.135 199 I CB 1.172 39.174 38.000 0.002 0.000 1.288 199 I HN 0.470 nan 8.210 nan 0.000 0.448 200 R N 6.131 126.649 120.500 0.030 0.000 2.338 200 R HA 0.630 5.014 4.340 0.073 0.000 0.317 200 R C -0.607 175.711 176.300 0.031 0.000 0.968 200 R CA -0.842 55.280 56.100 0.036 0.000 0.849 200 R CB 1.732 32.053 30.300 0.036 0.000 1.128 200 R HN 0.405 nan 8.270 nan 0.000 0.448 201 K N 0.489 120.911 120.400 0.036 0.000 2.318 201 K HA 0.337 4.701 4.320 0.073 0.000 0.265 201 K C -0.196 176.425 176.600 0.034 0.000 1.055 201 K CA -0.701 55.606 56.287 0.033 0.000 0.896 201 K CB 1.123 33.646 32.500 0.038 0.000 1.479 201 K HN 0.668 nan 8.250 nan 0.000 0.449 202 T N -2.059 112.515 114.554 0.032 0.000 2.766 202 T HA 0.148 4.542 4.350 0.073 0.000 0.295 202 T C 1.584 176.308 174.700 0.040 0.000 1.024 202 T CA -0.587 61.532 62.100 0.031 0.000 1.018 202 T CB 0.405 69.290 68.868 0.028 0.000 1.002 202 T HN 0.134 nan 8.240 nan 0.000 0.532 203 V N 1.764 121.701 119.914 0.038 0.000 2.343 203 V HA -0.077 4.087 4.120 0.073 0.000 0.247 203 V C 3.384 179.510 176.094 0.054 0.000 1.051 203 V CA 2.592 64.920 62.300 0.046 0.000 1.036 203 V CB -1.794 30.053 31.823 0.041 0.000 0.654 203 V HN 1.084 nan 8.190 nan 0.000 0.451 204 E N -0.499 119.729 120.200 0.047 0.000 2.072 204 E HA -0.200 4.193 4.350 0.073 0.000 0.191 204 E C 2.256 178.893 176.600 0.061 0.000 0.985 204 E CA 1.705 58.135 56.400 0.050 0.000 0.801 204 E CB -0.833 28.890 29.700 0.039 0.000 0.750 204 E HN 0.412 nan 8.360 nan 0.000 0.452 205 V N 0.956 120.904 119.914 0.057 0.000 2.358 205 V HA -0.125 4.039 4.120 0.073 0.000 0.246 205 V C 2.968 179.108 176.094 0.076 0.000 1.047 205 V CA 1.778 64.114 62.300 0.061 0.000 1.035 205 V CB -0.771 31.081 31.823 0.049 0.000 0.658 205 V HN 0.683 nan 8.190 nan 0.000 0.452 206 A N -0.545 122.321 122.820 0.076 0.000 1.873 206 A HA -0.171 4.193 4.320 0.073 0.000 0.218 206 A C 1.510 179.158 177.584 0.107 0.000 1.193 206 A CA 1.377 53.468 52.037 0.089 0.000 0.629 206 A CB -0.399 18.647 19.000 0.077 0.000 0.826 206 A HN 0.528 nan 8.150 nan 0.000 0.447 210 K N 1.450 121.959 120.400 0.182 0.000 2.026 210 K HA -0.105 4.259 4.320 0.073 0.000 0.208 210 K C 1.904 178.514 176.600 0.017 0.000 1.048 210 K CA 2.282 58.631 56.287 0.102 0.000 0.929 210 K CB -0.529 31.918 32.500 -0.089 0.000 0.713 210 K HN 0.310 nan 8.250 nan 0.000 0.439 211 Y N 0.881 121.213 120.300 0.053 0.000 2.181 211 Y HA -0.204 4.390 4.550 0.073 0.000 0.288 211 Y C 2.387 178.315 175.900 0.046 0.000 1.146 211 Y CA 2.108 60.233 58.100 0.041 0.000 1.164 211 Y CB -0.615 37.868 38.460 0.039 0.000 0.982 211 Y HN 0.135 nan 8.280 nan 0.000 0.515 212 T N -1.150 113.527 114.554 0.204 0.000 2.746 212 T HA -0.230 4.164 4.350 0.073 0.000 0.267 212 T C 2.122 176.888 174.700 0.109 0.000 1.039 212 T CA 1.523 63.706 62.100 0.140 0.000 1.142 212 T CB -0.844 68.079 68.868 0.091 0.000 0.866 212 T HN 0.418 nan 8.240 nan 0.000 0.444 213 C N 1.685 121.020 119.300 0.059 0.000 2.413 213 C HA -0.067 4.436 4.460 0.073 0.000 0.276 213 C C 2.814 177.545 174.990 -0.431 0.000 1.236 213 C CA 0.532 59.505 59.018 -0.074 0.000 1.735 213 C CB -1.243 26.517 27.740 0.033 0.000 2.031 213 C HN 0.550 nan 8.230 nan 0.000 0.474 214 N N 0.720 119.278 118.700 -0.236 0.000 2.142 214 N HA -0.074 4.710 4.740 0.073 0.000 0.186 214 N C 1.647 177.135 175.510 -0.037 0.000 1.023 214 N CA 1.036 53.966 53.050 -0.200 0.000 0.852 214 N CB -0.530 37.904 38.487 -0.088 0.000 0.998 214 N HN 0.322 nan 8.380 nan 0.000 0.424 215 V N 0.478 120.431 119.914 0.065 0.000 2.515 215 V HA -0.165 3.999 4.120 0.073 0.000 0.250 215 V C 2.000 178.210 176.094 0.194 0.000 1.058 215 V CA 0.985 63.365 62.300 0.133 0.000 1.064 215 V CB -0.491 31.431 31.823 0.166 0.000 0.675 215 V HN 0.500 nan 8.190 nan 0.000 0.461 216 W N 0.863 122.156 121.300 -0.011 0.000 2.355 216 W HA -0.202 4.501 4.660 0.072 0.000 0.309 216 W C 2.430 179.034 176.519 0.141 0.000 1.206 216 W CA 1.867 59.237 57.345 0.043 0.000 1.284 216 W CB -0.353 29.125 29.460 0.031 0.000 1.145 216 W HN 0.414 nan 8.180 nan 0.000 0.502 217 H N 0.062 119.109 119.070 -0.039 0.000 2.352 217 H HA -0.154 4.446 4.556 0.073 0.000 0.299 217 H C 2.489 177.726 175.328 -0.151 0.000 1.097 217 H CA 1.253 57.203 56.048 -0.164 0.000 1.311 217 H CB -0.348 29.400 29.762 -0.023 0.000 1.377 217 H HN 0.187 nan 8.280 nan 0.000 0.504 218 A N 1.277 124.135 122.820 0.063 0.000 1.933 218 A HA -0.110 4.254 4.320 0.073 0.000 0.218 218 A C 2.569 180.146 177.584 -0.011 0.000 1.175 218 A CA 1.327 53.381 52.037 0.030 0.000 0.628 218 A CB -0.800 18.233 19.000 0.055 0.000 0.814 218 A HN 0.469 nan 8.150 nan 0.000 0.444 219 A N -0.210 122.589 122.820 -0.034 0.000 1.930 219 A HA -0.130 4.233 4.320 0.073 0.000 0.217 219 A C 2.099 179.592 177.584 -0.151 0.000 1.175 219 A CA 1.756 53.768 52.037 -0.042 0.000 0.627 219 A CB -0.390 18.631 19.000 0.034 0.000 0.815 219 A HN 0.540 nan 8.150 nan 0.000 0.443 220 K N -0.465 119.703 120.400 -0.386 0.000 2.026 220 K HA -0.080 4.284 4.320 0.073 0.000 0.208 220 K C 1.883 178.423 176.600 -0.100 0.000 1.048 220 K CA 1.454 57.523 56.287 -0.364 0.000 0.929 220 K CB -0.397 31.781 32.500 -0.538 0.000 0.713 220 K HN 0.279 nan 8.250 nan 0.000 0.439 221 V N 1.217 121.079 119.914 -0.086 0.000 2.295 221 V HA -0.268 3.896 4.120 0.073 0.000 0.246 221 V C 2.154 178.247 176.094 -0.002 0.000 1.049 221 V CA 2.156 64.436 62.300 -0.034 0.000 1.024 221 V CB -0.603 31.204 31.823 -0.027 0.000 0.648 221 V HN 0.423 nan 8.190 nan 0.000 0.447 222 T N -0.095 114.466 114.554 0.012 0.000 2.708 222 T HA -0.198 4.196 4.350 0.073 0.000 0.266 222 T C 1.660 176.385 174.700 0.041 0.000 1.037 222 T CA 1.973 64.088 62.100 0.026 0.000 1.146 222 T CB -0.409 68.484 68.868 0.041 0.000 0.865 222 T HN 0.455 nan 8.240 nan 0.000 0.435 223 F N 2.277 122.192 119.950 -0.058 0.000 2.069 223 F HA -0.102 4.468 4.527 0.072 0.000 0.298 223 F C 2.477 178.250 175.800 -0.046 0.000 1.113 223 F CA 1.302 59.274 58.000 -0.048 0.000 1.214 223 F CB -0.686 38.272 39.000 -0.070 0.000 0.978 223 F HN 0.143 nan 8.300 nan 0.000 0.474 224 A N 0.303 123.155 122.820 0.052 0.000 1.933 224 A HA -0.221 4.143 4.320 0.073 0.000 0.218 224 A C 2.015 179.524 177.584 -0.125 0.000 1.175 224 A CA 1.959 53.971 52.037 -0.042 0.000 0.628 224 A CB -0.939 18.079 19.000 0.030 0.000 0.814 224 A HN 0.531 nan 8.150 nan 0.000 0.444 225 N N 0.027 118.673 118.700 -0.090 0.000 2.106 225 N HA -0.118 4.666 4.740 0.073 0.000 0.188 225 N C 1.679 177.119 175.510 -0.116 0.000 1.029 225 N CA 1.594 54.595 53.050 -0.081 0.000 0.848 225 N CB -0.414 38.045 38.487 -0.046 0.000 1.007 225 N HN 0.659 nan 8.380 nan 0.000 0.423 226 E N 0.189 120.297 120.200 -0.153 0.000 2.072 226 E HA -0.078 4.316 4.350 0.073 0.000 0.191 226 E C 1.737 178.204 176.600 -0.222 0.000 0.985 226 E CA 0.517 56.825 56.400 -0.154 0.000 0.801 226 E CB 0.026 29.654 29.700 -0.119 0.000 0.750 226 E HN 0.226 nan 8.360 nan 0.000 0.452 227 I N 0.948 121.295 120.570 -0.372 0.000 2.226 227 I HA -0.155 4.059 4.170 0.073 0.000 0.245 227 I C 2.512 178.510 176.117 -0.198 0.000 1.100 227 I CA 1.378 62.468 61.300 -0.349 0.000 1.374 227 I CB -1.577 36.117 38.000 -0.510 0.000 1.057 227 I HN 0.127 nan 8.210 nan 0.000 0.413 228 G N 1.202 109.904 108.800 -0.164 0.000 2.440 228 G HA2 -0.273 3.731 3.960 0.073 0.000 0.218 228 G HA3 -0.273 3.731 3.960 0.073 0.000 0.218 228 G C 1.473 176.319 174.900 -0.090 0.000 1.154 228 G CA 0.628 45.666 45.100 -0.104 0.000 0.767 228 G HN 0.338 nan 8.290 nan 0.000 0.552 229 N N 0.639 119.282 118.700 -0.095 0.000 2.166 229 N HA -0.043 4.740 4.740 0.073 0.000 0.186 229 N C 2.184 177.638 175.510 -0.093 0.000 1.019 229 N CA 0.780 53.781 53.050 -0.082 0.000 0.856 229 N CB -0.239 38.203 38.487 -0.075 0.000 0.993 229 N HN 0.376 nan 8.380 nan 0.000 0.426 230 I N 0.826 121.326 120.570 -0.115 0.000 2.286 230 I HA -0.173 4.041 4.170 0.073 0.000 0.245 230 I C 2.277 178.340 176.117 -0.091 0.000 1.104 230 I CA 0.759 61.988 61.300 -0.119 0.000 1.397 230 I CB -0.247 37.669 38.000 -0.139 0.000 1.072 230 I HN 0.045 nan 8.210 nan 0.000 0.417 231 A N 0.931 123.700 122.820 -0.085 0.000 1.883 231 A HA -0.295 4.069 4.320 0.073 0.000 0.217 231 A C 2.381 179.933 177.584 -0.054 0.000 1.186 231 A CA 2.164 54.163 52.037 -0.064 0.000 0.624 231 A CB -0.628 18.335 19.000 -0.062 0.000 0.822 231 A HN 0.368 nan 8.150 nan 0.000 0.444 232 K N -0.321 120.047 120.400 -0.055 0.000 2.063 232 K HA -0.120 4.243 4.320 0.073 0.000 0.208 232 K C 2.012 178.585 176.600 -0.045 0.000 1.048 232 K CA 1.396 57.656 56.287 -0.045 0.000 0.928 232 K CB -0.338 32.136 32.500 -0.044 0.000 0.713 232 K HN 0.370 nan 8.250 nan 0.000 0.442 233 A N 0.678 123.465 122.820 -0.054 0.000 2.066 233 A HA -0.054 4.310 4.320 0.073 0.000 0.218 233 A C 1.955 179.511 177.584 -0.047 0.000 1.157 233 A CA 1.376 53.381 52.037 -0.054 0.000 0.670 233 A CB -0.325 18.634 19.000 -0.069 0.000 0.804 233 A HN 0.310 nan 8.150 nan 0.000 0.453 234 V N -4.186 115.700 119.914 -0.046 0.000 3.649 234 V HA 0.530 4.694 4.120 0.073 0.000 0.275 234 V C 1.191 177.267 176.094 -0.029 0.000 1.281 234 V CA 0.637 62.915 62.300 -0.037 0.000 1.143 234 V CB -0.730 31.071 31.823 -0.036 0.000 0.892 234 V HN 1.408 nan 8.190 nan 0.000 0.441 235 G N 0.276 109.059 108.800 -0.030 0.000 2.140 235 G HA2 -0.094 3.910 3.960 0.073 0.000 0.211 235 G HA3 -0.094 3.910 3.960 0.073 0.000 0.211 235 G C -0.032 174.855 174.900 -0.022 0.000 1.013 235 G CA 0.370 45.455 45.100 -0.024 0.000 0.705 235 G HN 1.795 nan 8.290 nan 0.000 0.508 236 V N -3.460 116.439 119.914 -0.026 0.000 3.102 236 V HA 0.863 5.026 4.120 0.073 0.000 0.312 236 V C -0.326 175.753 176.094 -0.025 0.000 1.135 236 V CA -1.180 61.106 62.300 -0.023 0.000 1.022 236 V CB 2.219 34.029 31.823 -0.022 0.000 1.056 236 V HN 0.121 nan 8.190 nan 0.000 0.436 237 D N 1.518 121.905 120.400 -0.021 0.000 2.336 237 D HA 0.352 5.036 4.640 0.073 0.000 0.249 237 D C 1.285 177.570 176.300 -0.025 0.000 1.213 237 D CA 0.856 54.843 54.000 -0.022 0.000 0.870 237 D CB 1.443 42.233 40.800 -0.016 0.000 1.076 237 D HN 0.883 nan 8.370 nan 0.000 0.483 238 G N 4.116 112.896 108.800 -0.032 0.000 2.432 238 G HA2 -0.273 3.730 3.960 0.073 0.000 0.219 238 G HA3 -0.273 3.730 3.960 0.073 0.000 0.219 238 G C 1.484 176.366 174.900 -0.029 0.000 1.135 238 G CA 0.474 45.551 45.100 -0.039 0.000 0.767 238 G HN 0.470 nan 8.290 nan 0.000 0.550 239 R N 0.343 120.830 120.500 -0.022 0.000 2.148 239 R HA 0.112 4.496 4.340 0.073 0.000 0.223 239 R C 2.266 178.560 176.300 -0.009 0.000 1.088 239 R CA 1.155 57.246 56.100 -0.015 0.000 0.985 239 R CB -0.324 29.968 30.300 -0.013 0.000 0.880 239 R HN 0.568 nan 8.270 nan 0.000 0.451 240 E N 1.026 121.220 120.200 -0.010 0.000 2.072 240 E HA -0.068 4.326 4.350 0.073 0.000 0.190 240 E C 0.306 176.903 176.600 -0.004 0.000 0.982 240 E CA 0.542 56.938 56.400 -0.006 0.000 0.803 240 E CB 0.252 29.948 29.700 -0.008 0.000 0.755 240 E HN 0.021 nan 8.360 nan 0.000 0.453 244 V N 1.524 121.440 119.914 0.005 0.000 2.358 244 V HA -0.135 4.029 4.120 0.073 0.000 0.246 244 V C 2.390 178.483 176.094 -0.001 0.000 1.047 244 V CA 1.172 63.475 62.300 0.004 0.000 1.035 244 V CB -0.252 31.575 31.823 0.006 0.000 0.658 244 V HN 0.142 nan 8.190 nan 0.000 0.452 245 I N -0.058 120.516 120.570 0.006 0.000 2.248 245 I HA -0.256 3.958 4.170 0.073 0.000 0.248 245 I C 2.239 178.334 176.117 -0.038 0.000 1.107 245 I CA 1.550 62.852 61.300 0.003 0.000 1.373 245 I CB -0.716 37.310 38.000 0.044 0.000 1.055 245 I HN 0.316 nan 8.210 nan 0.000 0.418 246 C N -0.179 119.095 119.300 -0.043 0.000 2.539 246 C HA -0.028 4.475 4.460 0.073 0.000 0.271 246 C C 2.364 177.270 174.990 -0.139 0.000 1.412 246 C CA 0.128 59.088 59.018 -0.097 0.000 1.729 246 C CB -1.536 26.176 27.740 -0.047 0.000 1.739 246 C HN 0.518 nan 8.230 nan 0.000 0.570 247 Q N 0.278 120.037 119.800 -0.068 0.000 2.425 247 Q HA -0.014 4.369 4.340 0.073 0.000 0.204 247 Q C 0.192 176.178 176.000 -0.024 0.000 0.933 247 Q CA 0.458 56.254 55.803 -0.012 0.000 0.939 247 Q CB 0.067 28.819 28.738 0.022 0.000 1.044 247 Q HN 0.552 nan 8.270 nan 0.000 0.513 248 D N -0.132 120.207 120.400 -0.102 0.000 2.411 248 D HA 0.004 4.688 4.640 0.073 0.000 0.225 248 D C 0.216 176.427 176.300 -0.149 0.000 1.156 248 D CA -0.068 53.894 54.000 -0.063 0.000 0.874 248 D CB 0.396 41.179 40.800 -0.028 0.000 1.034 248 D HN 0.111 nan 8.370 nan 0.000 0.502 249 H N 2.602 121.686 119.070 0.023 0.000 2.551 249 H HA 0.101 4.701 4.556 0.073 0.000 0.271 249 H C 1.628 176.969 175.328 0.021 0.000 0.984 249 H CA 0.515 56.578 56.048 0.026 0.000 1.164 249 H CB 0.772 30.544 29.762 0.016 0.000 1.437 249 H HN 0.482 nan 8.280 nan 0.000 0.550 250 K N 1.113 121.565 120.400 0.087 0.000 2.063 250 K HA 0.115 4.479 4.320 0.073 0.000 0.204 250 K C 2.030 178.646 176.600 0.025 0.000 1.039 250 K CA 0.533 56.840 56.287 0.034 0.000 0.957 250 K CB -0.242 32.255 32.500 -0.006 0.000 0.764 250 K HN 0.124 nan 8.250 nan 0.000 0.447 251 L N -0.283 120.970 121.223 0.050 0.000 2.433 251 L HA 0.110 4.494 4.340 0.073 0.000 0.200 251 L C 2.177 179.173 176.870 0.211 0.000 1.059 251 L CA 0.227 55.158 54.840 0.151 0.000 0.835 251 L CB -0.041 42.126 42.059 0.179 0.000 1.076 251 L HN 0.248 nan 8.230 nan 0.000 0.481 252 N N 0.922 119.680 118.700 0.097 0.000 2.062 252 N HA -0.036 4.748 4.740 0.073 0.000 0.191 252 N C 1.254 176.793 175.510 0.050 0.000 1.042 252 N CA 1.249 54.330 53.050 0.051 0.000 0.845 252 N CB -0.094 38.383 38.487 -0.017 0.000 1.024 252 N HN 0.173 nan 8.380 nan 0.000 0.424 253 L N 1.233 122.448 121.223 -0.014 0.000 3.001 253 L HA 0.245 4.629 4.340 0.073 0.000 0.234 253 L C 0.406 177.336 176.870 0.100 0.000 1.321 253 L CA -0.310 54.536 54.840 0.010 0.000 1.138 253 L CB -0.344 41.615 42.059 -0.168 0.000 1.503 253 L HN 0.120 nan 8.230 nan 0.000 0.487 254 S N -1.072 114.700 115.700 0.119 0.000 2.806 254 S HA 0.408 4.922 4.470 0.073 0.000 0.315 254 S C 0.894 175.554 174.600 0.101 0.000 1.127 254 S CA -0.916 57.354 58.200 0.117 0.000 0.918 254 S CB 1.444 64.712 63.200 0.113 0.000 1.240 254 S HN 0.432 nan 8.310 nan 0.000 0.552 255 R N -0.780 119.758 120.500 0.063 0.000 2.313 255 R HA 0.160 4.544 4.340 0.073 0.000 0.199 255 R C -0.055 176.250 176.300 0.009 0.000 0.958 255 R CA -0.162 55.941 56.100 0.007 0.000 1.047 255 R CB -0.685 29.599 30.300 -0.027 0.000 0.955 255 R HN 0.571 nan 8.270 nan 0.000 0.481 256 Y N 1.944 122.203 120.300 -0.068 0.000 2.597 256 Y HA 0.022 4.615 4.550 0.071 0.000 0.336 256 Y C -0.297 175.549 175.900 -0.091 0.000 1.216 256 Y CA 0.418 58.401 58.100 -0.196 0.000 1.463 256 Y CB 0.141 38.423 38.460 -0.297 0.000 1.303 256 Y HN 0.176 nan 8.280 nan 0.000 0.576 260 P HA 0.518 nan 4.420 nan 0.000 0.275 260 P C -0.058 177.414 177.300 0.286 0.000 1.227 260 P CA -0.258 62.940 63.100 0.162 0.000 0.781 260 P CB 1.245 33.071 31.700 0.210 0.000 0.906 261 G N 0.304 109.265 108.800 0.268 0.000 2.586 261 G HA2 0.260 4.264 3.960 0.073 0.000 0.105 261 G HA3 0.260 4.264 3.960 0.073 0.000 0.105 261 G C -1.695 173.386 174.900 0.303 0.000 1.129 261 G CA -0.427 44.861 45.100 0.314 0.000 1.127 261 G HN 0.422 nan 8.290 nan 0.000 0.532 262 F N 1.833 121.844 119.950 0.101 0.000 2.461 262 F HA 0.827 5.396 4.527 0.070 0.000 0.332 262 F C 0.943 176.788 175.800 0.075 0.000 1.073 262 F CA -0.634 57.409 58.000 0.071 0.000 1.017 262 F CB 1.468 40.515 39.000 0.078 0.000 1.301 262 F HN 0.792 nan 8.300 nan 0.000 0.492 263 A N 2.078 124.539 122.820 -0.598 0.000 2.492 263 A HA 0.295 4.659 4.320 0.073 0.000 0.236 263 A C -0.634 176.821 177.584 -0.215 0.000 1.078 263 A CA -0.078 51.648 52.037 -0.519 0.000 0.773 263 A CB -0.776 17.741 19.000 -0.803 0.000 1.023 263 A HN 0.626 nan 8.150 nan 0.000 0.504 264 F N -0.059 119.862 119.950 -0.047 0.000 2.370 264 F HA 0.786 5.355 4.527 0.070 0.000 0.324 264 F C 0.587 176.420 175.800 0.056 0.000 1.116 264 F CA -0.480 57.557 58.000 0.062 0.000 1.123 264 F CB 0.604 39.652 39.000 0.081 0.000 1.238 264 F HN 0.765 nan 8.300 nan 0.000 0.536 265 G N -0.766 108.283 108.800 0.415 0.000 2.871 265 G HA2 0.671 4.675 3.960 0.073 0.000 0.282 265 G HA3 0.671 4.675 3.960 0.073 0.000 0.282 265 G C -0.484 174.479 174.900 0.105 0.000 1.212 265 G CA -0.364 44.882 45.100 0.242 0.000 0.812 265 G HN 1.787 nan 8.290 nan 0.000 0.547 266 G N -1.431 107.190 108.800 -0.298 0.000 2.685 266 G HA2 0.300 4.304 3.960 0.073 0.000 0.387 266 G HA3 0.300 4.304 3.960 0.073 0.000 0.387 266 G C 0.760 175.380 174.900 -0.467 0.000 1.324 266 G CA 0.602 45.050 45.100 -1.087 0.000 0.878 266 G HN 2.075 nan 8.290 nan 0.000 0.527 267 S N -1.664 113.764 115.700 -0.453 0.000 2.660 267 S HA 0.377 4.891 4.470 0.073 0.000 0.227 267 S C 1.340 175.860 174.600 -0.132 0.000 0.948 267 S CA 1.244 59.312 58.200 -0.220 0.000 0.948 267 S CB -0.198 62.889 63.200 -0.188 0.000 0.779 267 S HN 1.151 nan 8.310 nan 0.000 0.487 268 C N -0.647 118.582 119.300 -0.118 0.000 2.638 268 C HA 0.415 4.918 4.460 0.073 0.000 0.470 268 C C 2.078 177.051 174.990 -0.029 0.000 1.382 268 C CA -0.207 58.779 59.018 -0.053 0.000 2.604 268 C CB -1.085 26.635 27.740 -0.033 0.000 2.937 268 C HN 0.494 nan 8.230 nan 0.000 0.556 269 L N 2.109 123.317 121.223 -0.024 0.000 1.970 269 L HA -0.061 4.323 4.340 0.073 0.000 0.212 269 L C -0.639 176.259 176.870 0.047 0.000 1.071 269 L CA 2.644 57.438 54.840 -0.077 0.000 0.751 269 L CB -1.933 39.996 42.059 -0.217 0.000 0.889 269 L HN 0.202 nan 8.230 nan 0.000 0.432 270 P HA -0.216 nan 4.420 nan 0.000 0.215 270 P C 1.528 178.896 177.300 0.113 0.000 1.157 270 P CA 1.458 64.710 63.100 0.254 0.000 0.868 270 P CB -0.070 31.735 31.700 0.175 0.000 0.788 271 K N -0.151 120.279 120.400 0.051 0.000 2.063 271 K HA -0.204 4.160 4.320 0.073 0.000 0.208 271 K C 1.350 177.966 176.600 0.025 0.000 1.048 271 K CA 2.041 58.340 56.287 0.021 0.000 0.928 271 K CB -0.614 31.881 32.500 -0.010 0.000 0.713 271 K HN -0.029 nan 8.250 nan 0.000 0.442 272 D N 0.351 120.763 120.400 0.020 0.000 2.194 272 D HA -0.083 4.601 4.640 0.073 0.000 0.204 272 D C 2.025 178.347 176.300 0.038 0.000 0.964 272 D CA 0.763 54.774 54.000 0.017 0.000 0.846 272 D CB -0.038 40.760 40.800 -0.003 0.000 0.962 272 D HN 0.062 nan 8.370 nan 0.000 0.490 273 V N 1.000 120.945 119.914 0.052 0.000 2.343 273 V HA -0.213 3.950 4.120 0.073 0.000 0.247 273 V C 2.469 178.627 176.094 0.105 0.000 1.051 273 V CA 1.515 63.866 62.300 0.084 0.000 1.036 273 V CB -0.294 31.603 31.823 0.123 0.000 0.654 273 V HN 0.127 nan 8.190 nan 0.000 0.451 274 R N -0.240 120.319 120.500 0.099 0.000 2.075 274 R HA -0.092 4.292 4.340 0.073 0.000 0.232 274 R C 2.416 178.787 176.300 0.119 0.000 1.126 274 R CA 1.425 57.588 56.100 0.105 0.000 0.963 274 R CB -0.502 29.842 30.300 0.072 0.000 0.858 274 R HN 0.543 nan 8.270 nan 0.000 0.435 275 A N 1.015 123.883 122.820 0.080 0.000 1.873 275 A HA -0.142 4.221 4.320 0.073 0.000 0.215 275 A C 2.038 179.691 177.584 0.115 0.000 1.186 275 A CA 0.933 53.019 52.037 0.081 0.000 0.616 275 A CB -0.444 18.576 19.000 0.033 0.000 0.823 275 A HN 0.210 nan 8.150 nan 0.000 0.442 276 L N 0.570 121.842 121.223 0.082 0.000 2.046 276 L HA -0.134 4.250 4.340 0.073 0.000 0.208 276 L C 2.774 179.679 176.870 0.059 0.000 1.077 276 L CA 2.888 57.761 54.840 0.054 0.000 0.747 276 L CB -0.872 41.209 42.059 0.036 0.000 0.896 276 L HN 0.590 nan 8.230 nan 0.000 0.432 277 T N -3.846 110.787 114.554 0.131 0.000 2.904 277 T HA -0.253 4.141 4.350 0.073 0.000 0.267 277 T C 1.912 176.720 174.700 0.181 0.000 1.059 277 T CA 1.376 63.606 62.100 0.217 0.000 1.137 277 T CB -1.015 68.027 68.868 0.291 0.000 0.879 277 T HN 0.422 nan 8.240 nan 0.000 0.467 278 Y N 2.330 122.669 120.300 0.065 0.000 2.145 278 Y HA -0.036 4.559 4.550 0.076 0.000 0.286 278 Y C 2.842 178.740 175.900 -0.003 0.000 1.145 278 Y CA 1.615 59.739 58.100 0.040 0.000 1.148 278 Y CB -0.247 38.228 38.460 0.026 0.000 0.981 278 Y HN 0.065 nan 8.280 nan 0.000 0.507 279 R N 0.811 121.370 120.500 0.099 0.000 2.075 279 R HA -0.093 4.291 4.340 0.073 0.000 0.232 279 R C 2.287 178.505 176.300 -0.138 0.000 1.126 279 R CA 1.559 57.659 56.100 0.000 0.000 0.963 279 R CB -1.053 29.270 30.300 0.038 0.000 0.858 279 R HN 0.409 nan 8.270 nan 0.000 0.435 280 A N -0.444 122.253 122.820 -0.204 0.000 1.883 280 A HA -0.164 4.199 4.320 0.073 0.000 0.217 280 A C 2.270 179.644 177.584 -0.350 0.000 1.186 280 A CA 2.072 53.891 52.037 -0.364 0.000 0.624 280 A CB -0.907 17.669 19.000 -0.706 0.000 0.822 280 A HN 0.436 nan 8.150 nan 0.000 0.444 281 S N -0.407 115.113 115.700 -0.300 0.000 2.359 281 S HA -0.240 4.274 4.470 0.073 0.000 0.224 281 S C 2.096 176.573 174.600 -0.206 0.000 1.035 281 S CA 1.639 59.731 58.200 -0.179 0.000 1.018 281 S CB -0.400 62.713 63.200 -0.144 0.000 0.876 281 S HN 0.690 nan 8.310 nan 0.000 0.448 282 Q N 0.169 119.800 119.800 -0.281 0.000 2.181 282 Q HA -0.030 4.354 4.340 0.073 0.000 0.205 282 Q C 1.430 177.353 176.000 -0.128 0.000 0.980 282 Q CA 0.924 56.601 55.803 -0.210 0.000 0.862 282 Q CB -0.272 28.353 28.738 -0.188 0.000 0.905 282 Q HN 0.482 nan 8.270 nan 0.000 0.429 283 L N 0.600 121.745 121.223 -0.130 0.000 2.629 283 L HA 0.022 4.405 4.340 0.073 0.000 0.230 283 L C -0.477 176.338 176.870 -0.092 0.000 1.151 283 L CA -0.190 54.591 54.840 -0.099 0.000 0.924 283 L CB 0.208 42.207 42.059 -0.100 0.000 1.137 283 L HN 0.136 nan 8.230 nan 0.000 0.457 284 D N -0.236 120.107 120.400 -0.094 0.000 2.837 284 D HA -0.140 4.544 4.640 0.073 0.000 0.230 284 D C -0.239 176.021 176.300 -0.068 0.000 1.152 284 D CA 0.492 54.452 54.000 -0.067 0.000 0.736 284 D CB -1.440 39.331 40.800 -0.048 0.000 1.084 284 D HN 0.058 nan 8.370 nan 0.000 0.429 285 V N 1.083 120.929 119.914 -0.114 0.000 2.318 285 V HA 0.103 4.267 4.120 0.073 0.000 0.271 285 V C 0.950 177.002 176.094 -0.070 0.000 1.030 285 V CA -0.619 61.610 62.300 -0.119 0.000 0.844 285 V CB 1.544 33.256 31.823 -0.185 0.000 1.015 285 V HN -0.013 nan 8.190 nan 0.000 0.460 286 E N 4.979 125.211 120.200 0.053 0.000 2.392 286 E HA 0.193 4.586 4.350 0.073 0.000 0.264 286 E C -0.336 176.439 176.600 0.292 0.000 1.024 286 E CA 0.051 56.576 56.400 0.208 0.000 0.903 286 E CB 0.529 30.281 29.700 0.086 0.000 0.963 286 E HN 0.872 nan 8.360 nan 0.000 0.432 287 H N -0.113 118.939 119.070 -0.029 0.000 2.803 287 H HA 0.315 4.915 4.556 0.072 0.000 0.219 287 H C -2.917 172.406 175.328 -0.009 0.000 1.379 287 H CA -2.506 53.524 56.048 -0.029 0.000 1.415 287 H CB -0.846 28.893 29.762 -0.038 0.000 1.943 287 H HN 0.171 nan 8.280 nan 0.000 0.569 291 G N 0.480 109.224 108.800 -0.094 0.000 2.679 291 G HA2 -0.130 3.874 3.960 0.073 0.000 0.212 291 G HA3 -0.130 3.874 3.960 0.073 0.000 0.212 291 G C 1.389 176.252 174.900 -0.062 0.000 1.137 291 G CA 1.196 46.195 45.100 -0.168 0.000 0.787 291 G HN 0.441 nan 8.290 nan 0.000 0.534 292 S N -0.525 115.168 115.700 -0.012 0.000 2.511 292 S HA 0.330 4.844 4.470 0.073 0.000 0.214 292 S C 1.173 175.803 174.600 0.050 0.000 0.997 292 S CA -0.570 57.638 58.200 0.013 0.000 0.908 292 S CB -0.016 63.195 63.200 0.019 0.000 0.803 292 S HN 0.174 nan 8.310 nan 0.000 0.504 296 S N 0.523 116.214 115.700 -0.016 0.000 2.382 296 S HA -0.094 4.420 4.470 0.073 0.000 0.228 296 S C 1.497 176.053 174.600 -0.074 0.000 1.027 296 S CA 1.892 60.083 58.200 -0.015 0.000 0.991 296 S CB -0.367 62.852 63.200 0.032 0.000 0.823 296 S HN 0.446 nan 8.310 nan 0.000 0.469 297 N N 1.026 119.642 118.700 -0.140 0.000 2.084 297 N HA -0.095 4.689 4.740 0.073 0.000 0.190 297 N C 1.963 177.303 175.510 -0.284 0.000 1.030 297 N CA 2.005 54.862 53.050 -0.322 0.000 0.849 297 N CB -0.368 37.737 38.487 -0.637 0.000 1.012 297 N HN 0.527 nan 8.380 nan 0.000 0.423 298 S N -0.446 115.133 115.700 -0.203 0.000 2.402 298 S HA -0.046 4.468 4.470 0.073 0.000 0.229 298 S C 1.713 176.246 174.600 -0.111 0.000 1.021 298 S CA 0.819 58.925 58.200 -0.158 0.000 0.974 298 S CB -0.478 62.655 63.200 -0.112 0.000 0.800 298 S HN 0.260 nan 8.310 nan 0.000 0.484 299 N N 1.817 120.466 118.700 -0.084 0.000 2.149 299 N HA -0.095 4.689 4.740 0.073 0.000 0.188 299 N C 1.833 177.323 175.510 -0.034 0.000 1.019 299 N CA 1.506 54.529 53.050 -0.045 0.000 0.857 299 N CB -0.651 37.819 38.487 -0.027 0.000 0.997 299 N HN 0.517 nan 8.380 nan 0.000 0.426 300 Q N 0.330 120.085 119.800 -0.075 0.000 2.167 300 Q HA 0.053 4.437 4.340 0.073 0.000 0.202 300 Q C 1.769 177.770 176.000 0.003 0.000 0.970 300 Q CA 0.662 56.438 55.803 -0.046 0.000 0.855 300 Q CB -0.019 28.653 28.738 -0.111 0.000 0.911 300 Q HN 0.148 nan 8.270 nan 0.000 0.438 301 V N 0.237 120.081 119.914 -0.117 0.000 2.358 301 V HA -0.226 3.937 4.120 0.073 0.000 0.246 301 V C 2.213 178.404 176.094 0.162 0.000 1.047 301 V CA 1.860 64.176 62.300 0.028 0.000 1.035 301 V CB -0.600 31.172 31.823 -0.085 0.000 0.658 301 V HN 0.372 nan 8.190 nan 0.000 0.452 302 Q N 0.896 120.734 119.800 0.063 0.000 2.084 302 Q HA -0.214 4.170 4.340 0.073 0.000 0.202 302 Q C 2.215 178.307 176.000 0.154 0.000 0.978 302 Q CA 2.015 57.865 55.803 0.079 0.000 0.844 302 Q CB -0.413 28.332 28.738 0.012 0.000 0.898 302 Q HN 0.604 nan 8.270 nan 0.000 0.426 303 K N -0.806 119.664 120.400 0.116 0.000 2.063 303 K HA -0.149 4.215 4.320 0.073 0.000 0.208 303 K C 1.871 178.532 176.600 0.102 0.000 1.048 303 K CA 1.294 57.637 56.287 0.094 0.000 0.928 303 K CB -0.323 32.215 32.500 0.063 0.000 0.713 303 K HN 0.277 nan 8.250 nan 0.000 0.442 304 A N 0.630 123.554 122.820 0.174 0.000 1.902 304 A HA -0.162 4.202 4.320 0.073 0.000 0.217 304 A C 1.991 179.614 177.584 0.065 0.000 1.181 304 A CA 1.328 53.422 52.037 0.094 0.000 0.623 304 A CB -0.804 18.270 19.000 0.122 0.000 0.818 304 A HN 0.531 nan 8.150 nan 0.000 0.443 305 F N 1.258 121.208 119.950 0.001 0.000 2.134 305 F HA -0.204 4.366 4.527 0.072 0.000 0.299 305 F C 1.724 177.479 175.800 -0.075 0.000 1.097 305 F CA 2.127 60.097 58.000 -0.051 0.000 1.264 305 F CB -0.139 38.845 39.000 -0.026 0.000 1.001 305 F HN 0.230 nan 8.300 nan 0.000 0.479 306 D N 0.363 120.823 120.400 0.100 0.000 2.117 306 D HA -0.154 4.530 4.640 0.073 0.000 0.197 306 D C 2.301 178.516 176.300 -0.143 0.000 0.987 306 D CA 1.025 55.019 54.000 -0.009 0.000 0.829 306 D CB -0.449 40.386 40.800 0.058 0.000 0.961 306 D HN 0.210 nan 8.370 nan 0.000 0.460 307 L N 0.698 121.852 121.223 -0.116 0.000 2.017 307 L HA -0.083 4.300 4.340 0.073 0.000 0.208 307 L C 2.379 179.154 176.870 -0.158 0.000 1.073 307 L CA 1.138 55.901 54.840 -0.130 0.000 0.745 307 L CB -0.865 41.142 42.059 -0.086 0.000 0.894 307 L HN 0.089 nan 8.230 nan 0.000 0.432 308 I N -0.736 119.717 120.570 -0.196 0.000 2.252 308 I HA -0.267 3.947 4.170 0.073 0.000 0.245 308 I C 1.836 177.791 176.117 -0.270 0.000 1.102 308 I CA 1.695 62.876 61.300 -0.198 0.000 1.385 308 I CB -0.521 37.294 38.000 -0.309 0.000 1.064 308 I HN 0.356 nan 8.210 nan 0.000 0.414 309 T N -2.577 111.682 114.554 -0.491 0.000 3.252 309 T HA 0.048 4.441 4.350 0.073 0.000 0.250 309 T C 1.379 175.957 174.700 -0.204 0.000 1.123 309 T CA 0.482 62.345 62.100 -0.396 0.000 1.006 309 T CB -0.398 68.099 68.868 -0.617 0.000 0.992 309 T HN 0.380 nan 8.240 nan 0.000 0.547 310 S N 0.290 115.805 115.700 -0.309 0.000 2.556 310 S HA 0.073 4.586 4.470 0.073 0.000 0.216 310 S C 1.042 175.381 174.600 -0.436 0.000 0.970 310 S CA -0.517 57.463 58.200 -0.366 0.000 0.912 310 S CB -0.524 62.408 63.200 -0.446 0.000 0.790 310 S HN 0.656 nan 8.310 nan 0.000 0.504 311 H N 1.250 120.297 119.070 -0.038 0.000 2.520 311 H HA 0.259 4.858 4.556 0.073 0.000 0.284 311 H C 0.927 176.253 175.328 -0.004 0.000 1.037 311 H CA 0.508 56.542 56.048 -0.024 0.000 1.168 311 H CB -0.443 29.299 29.762 -0.035 0.000 1.497 311 H HN 0.697 nan 8.280 nan 0.000 0.547 312 D N 0.893 121.333 120.400 0.067 0.000 2.723 312 D HA -0.169 4.515 4.640 0.073 0.000 0.236 312 D C 0.404 176.737 176.300 0.055 0.000 1.138 312 D CA 1.319 55.347 54.000 0.047 0.000 0.676 312 D CB -2.404 38.413 40.800 0.027 0.000 1.069 312 D HN 0.446 nan 8.370 nan 0.000 0.430 313 T N -2.684 111.926 114.554 0.092 0.000 2.932 313 T HA 0.608 5.002 4.350 0.073 0.000 0.318 313 T C 0.467 175.240 174.700 0.121 0.000 1.265 313 T CA -0.156 61.986 62.100 0.069 0.000 1.036 313 T CB 1.429 70.334 68.868 0.061 0.000 1.209 313 T HN 0.334 nan 8.240 nan 0.000 0.484 314 R N 1.269 121.789 120.500 0.033 0.000 2.362 314 R HA 0.287 4.671 4.340 0.073 0.000 0.227 314 R C 0.785 177.174 176.300 0.148 0.000 0.905 314 R CA -0.163 55.949 56.100 0.020 0.000 1.067 314 R CB 0.128 30.291 30.300 -0.228 0.000 1.078 314 R HN 0.546 nan 8.270 nan 0.000 0.516 315 K N 1.851 122.306 120.400 0.092 0.000 2.150 315 K HA 0.334 4.698 4.320 0.073 0.000 0.261 315 K C -0.310 176.323 176.600 0.056 0.000 1.127 315 K CA -0.037 56.287 56.287 0.061 0.000 0.989 315 K CB 0.305 32.818 32.500 0.022 0.000 1.475 315 K HN -0.082 nan 8.250 nan 0.000 0.391 316 V N 1.443 121.400 119.914 0.073 0.000 2.435 316 V HA 0.713 4.877 4.120 0.073 0.000 0.290 316 V C 0.861 176.953 176.094 -0.004 0.000 1.030 316 V CA -0.923 61.388 62.300 0.017 0.000 0.881 316 V CB 1.881 33.703 31.823 -0.001 0.000 0.983 316 V HN 0.824 nan 8.190 nan 0.000 0.445 317 G N 4.205 112.981 108.800 -0.041 0.000 2.437 317 G HA2 0.566 4.570 3.960 0.073 0.000 0.315 317 G HA3 0.566 4.570 3.960 0.073 0.000 0.315 317 G C -1.210 173.644 174.900 -0.078 0.000 1.210 317 G CA -0.431 44.640 45.100 -0.049 0.000 0.943 317 G HN 0.542 nan 8.290 nan 0.000 0.471 318 L N 3.609 124.804 121.223 -0.046 0.000 2.265 318 L HA 0.561 4.945 4.340 0.073 0.000 0.289 318 L C -0.900 175.934 176.870 -0.060 0.000 1.033 318 L CA -0.942 53.862 54.840 -0.060 0.000 0.814 318 L CB 1.207 43.258 42.059 -0.014 0.000 1.203 318 L HN 0.250 nan 8.230 nan 0.000 0.423 319 L N 6.241 127.346 121.223 -0.196 0.000 2.270 319 L HA 0.793 5.177 4.340 0.073 0.000 0.286 319 L C 0.508 177.315 176.870 -0.106 0.000 1.059 319 L CA -0.131 54.491 54.840 -0.364 0.000 0.839 319 L CB 0.432 41.786 42.059 -1.175 0.000 1.221 319 L HN 0.800 nan 8.230 nan 0.000 0.431 320 G N 2.649 111.582 108.800 0.222 0.000 2.885 320 G HA2 0.051 4.055 3.960 0.073 0.000 0.685 320 G HA3 0.051 4.055 3.960 0.073 0.000 0.685 320 G C -0.487 174.512 174.900 0.166 0.000 1.216 320 G CA -0.246 45.029 45.100 0.292 0.000 0.790 320 G HN 0.516 nan 8.290 nan 0.000 0.631 321 L N 1.605 122.918 121.223 0.150 0.000 2.966 321 L HA 0.467 4.851 4.340 0.073 0.000 0.262 321 L C 1.703 178.670 176.870 0.161 0.000 1.068 321 L CA 1.697 56.616 54.840 0.132 0.000 1.004 321 L CB 0.103 42.216 42.059 0.091 0.000 1.629 321 L HN 1.402 nan 8.230 nan 0.000 0.542 322 S N -0.376 115.417 115.700 0.154 0.000 2.600 322 S HA 0.081 4.595 4.470 0.073 0.000 0.265 322 S C 1.228 175.960 174.600 0.219 0.000 1.325 322 S CA 0.148 58.462 58.200 0.190 0.000 1.002 322 S CB 0.044 63.327 63.200 0.138 0.000 0.921 322 S HN 0.340 nan 8.310 nan 0.000 0.554 323 F N -0.340 119.684 119.950 0.123 0.000 2.451 323 F HA 0.402 4.970 4.527 0.068 0.000 0.299 323 F C 0.611 176.504 175.800 0.155 0.000 1.101 323 F CA 0.277 58.363 58.000 0.142 0.000 1.436 323 F CB -0.214 38.860 39.000 0.124 0.000 1.074 323 F HN 0.539 nan 8.300 nan 0.000 0.553 324 K N 0.402 120.449 120.400 -0.588 0.000 2.527 324 K HA 0.659 5.023 4.320 0.073 0.000 0.260 324 K C -1.025 175.438 176.600 -0.229 0.000 0.937 324 K CA -0.785 55.186 56.287 -0.527 0.000 0.826 324 K CB 2.188 34.069 32.500 -1.033 0.000 1.359 324 K HN 0.063 nan 8.250 nan 0.000 0.434 325 A N 0.629 123.386 122.820 -0.105 0.000 2.407 325 A HA 0.522 4.886 4.320 0.073 0.000 0.248 325 A C 1.018 178.554 177.584 -0.080 0.000 1.082 325 A CA 1.016 53.024 52.037 -0.049 0.000 0.785 325 A CB -0.142 18.847 19.000 -0.018 0.000 1.020 325 A HN 1.062 nan 8.150 nan 0.000 0.489 326 G N -0.336 108.428 108.800 -0.060 0.000 2.195 326 G HA2 -0.086 3.918 3.960 0.073 0.000 0.246 326 G HA3 -0.086 3.918 3.960 0.073 0.000 0.246 326 G C 0.448 175.325 174.900 -0.039 0.000 0.984 326 G CA 0.977 46.043 45.100 -0.057 0.000 0.633 326 G HN 1.907 nan 8.290 nan 0.000 0.525 327 T N -0.509 114.026 114.554 -0.031 0.000 2.883 327 T HA 0.532 4.926 4.350 0.073 0.000 0.296 327 T C 0.449 175.186 174.700 0.061 0.000 1.117 327 T CA 0.523 62.638 62.100 0.025 0.000 1.006 327 T CB 1.645 70.548 68.868 0.059 0.000 1.191 327 T HN 0.227 nan 8.240 nan 0.000 0.508 328 D N 0.934 121.394 120.400 0.100 0.000 2.349 328 D HA 0.061 4.744 4.640 0.073 0.000 0.214 328 D C 0.163 176.552 176.300 0.149 0.000 1.063 328 D CA -0.240 53.831 54.000 0.117 0.000 0.847 328 D CB -0.009 40.866 40.800 0.125 0.000 0.933 328 D HN 0.416 nan 8.370 nan 0.000 0.513 329 D N 0.938 121.458 120.400 0.200 0.000 2.434 329 D HA -0.033 4.651 4.640 0.073 0.000 0.252 329 D C 0.663 177.117 176.300 0.256 0.000 1.185 329 D CA -0.251 53.880 54.000 0.218 0.000 0.886 329 D CB 0.919 41.907 40.800 0.313 0.000 1.148 329 D HN -0.055 nan 8.370 nan 0.000 0.483 330 L N 3.621 124.918 121.223 0.123 0.000 2.616 330 L HA 0.184 4.568 4.340 0.073 0.000 0.229 330 L C 0.885 177.790 176.870 0.058 0.000 1.110 330 L CA 0.226 55.154 54.840 0.147 0.000 0.884 330 L CB -0.468 41.721 42.059 0.215 0.000 1.115 330 L HN 0.302 nan 8.230 nan 0.000 0.481 331 R N 1.440 121.889 120.500 -0.085 0.000 2.480 331 R HA -0.019 4.365 4.340 0.073 0.000 0.303 331 R C 0.293 176.542 176.300 -0.084 0.000 0.985 331 R CA 0.097 56.113 56.100 -0.140 0.000 1.051 331 R CB -0.181 29.996 30.300 -0.206 0.000 0.935 331 R HN 0.207 nan 8.270 nan 0.000 0.410 332 E N 0.088 120.278 120.200 -0.016 0.000 2.403 332 E HA -0.255 4.139 4.350 0.073 0.000 0.241 332 E C -0.594 176.036 176.600 0.050 0.000 1.201 332 E CA 0.637 57.041 56.400 0.007 0.000 0.721 332 E CB -0.866 28.819 29.700 -0.025 0.000 1.245 332 E HN 0.523 nan 8.360 nan 0.000 0.392 333 S N 0.831 116.600 115.700 0.115 0.000 2.488 333 S HA 0.181 4.695 4.470 0.073 0.000 0.278 333 S C -0.951 173.745 174.600 0.160 0.000 1.259 333 S CA -1.375 56.945 58.200 0.200 0.000 1.061 333 S CB 0.932 64.274 63.200 0.237 0.000 0.910 333 S HN -0.005 nan 8.310 nan 0.000 0.491 334 P HA -0.048 nan 4.420 nan 0.000 0.223 334 P C 1.316 178.801 177.300 0.308 0.000 1.151 334 P CA 0.348 63.511 63.100 0.106 0.000 0.787 334 P CB 0.086 31.703 31.700 -0.139 0.000 0.788 335 L N -0.700 120.729 121.223 0.343 0.000 2.093 335 L HA -0.083 4.300 4.340 0.073 0.000 0.208 335 L C 2.581 179.562 176.870 0.184 0.000 1.085 335 L CA 1.382 56.390 54.840 0.279 0.000 0.755 335 L CB -1.695 40.503 42.059 0.231 0.000 0.904 335 L HN -0.141 nan 8.230 nan 0.000 0.435 336 V N 0.014 120.027 119.914 0.165 0.000 2.358 336 V HA -0.246 3.917 4.120 0.073 0.000 0.246 336 V C 2.943 179.106 176.094 0.114 0.000 1.047 336 V CA 1.850 64.223 62.300 0.122 0.000 1.035 336 V CB -1.066 30.835 31.823 0.131 0.000 0.658 336 V HN 0.596 nan 8.190 nan 0.000 0.452 337 E N 0.036 120.307 120.200 0.119 0.000 2.058 337 E HA -0.293 4.100 4.350 0.073 0.000 0.194 337 E C 2.089 178.751 176.600 0.104 0.000 0.997 337 E CA 1.854 58.309 56.400 0.091 0.000 0.801 337 E CB -0.789 28.944 29.700 0.055 0.000 0.746 337 E HN 0.438 nan 8.360 nan 0.000 0.450 338 L N 0.538 121.858 121.223 0.161 0.000 2.042 338 L HA 0.050 4.434 4.340 0.073 0.000 0.210 338 L C 2.793 179.753 176.870 0.149 0.000 1.076 338 L CA 2.422 57.374 54.840 0.187 0.000 0.749 338 L CB -0.858 41.339 42.059 0.231 0.000 0.893 338 L HN 0.371 nan 8.230 nan 0.000 0.432 339 A N -1.060 121.831 122.820 0.118 0.000 1.902 339 A HA -0.150 4.214 4.320 0.073 0.000 0.217 339 A C 1.385 179.036 177.584 0.112 0.000 1.181 339 A CA 0.984 53.078 52.037 0.096 0.000 0.623 339 A CB -0.640 18.397 19.000 0.063 0.000 0.818 339 A HN 0.593 nan 8.150 nan 0.000 0.443 343 I N 1.254 121.952 120.570 0.214 0.000 2.179 343 I HA -0.171 4.042 4.170 0.073 0.000 0.242 343 I C 2.427 178.646 176.117 0.169 0.000 1.088 343 I CA 2.091 63.502 61.300 0.185 0.000 1.357 343 I CB -0.456 37.644 38.000 0.165 0.000 1.051 343 I HN 0.393 nan 8.210 nan 0.000 0.409 344 G N 0.514 109.404 108.800 0.150 0.000 2.448 344 G HA2 -0.186 3.818 3.960 0.073 0.000 0.219 344 G HA3 -0.186 3.818 3.960 0.073 0.000 0.219 344 G C 1.608 176.588 174.900 0.134 0.000 1.127 344 G CA 0.492 45.657 45.100 0.108 0.000 0.766 344 G HN 0.250 nan 8.290 nan 0.000 0.552 345 K N 0.062 120.601 120.400 0.233 0.000 2.387 345 K HA 0.198 4.562 4.320 0.073 0.000 0.198 345 K C 1.412 178.143 176.600 0.218 0.000 1.022 345 K CA 0.472 56.929 56.287 0.284 0.000 1.128 345 K CB 0.683 33.490 32.500 0.511 0.000 0.853 345 K HN 0.329 nan 8.250 nan 0.000 0.523 346 G N 1.399 110.304 108.800 0.176 0.000 2.132 346 G HA2 -0.276 3.728 3.960 0.073 0.000 0.234 346 G HA3 -0.276 3.728 3.960 0.073 0.000 0.234 346 G C -0.157 174.734 174.900 -0.014 0.000 0.989 346 G CA -0.161 44.969 45.100 0.051 0.000 0.676 346 G HN 0.209 nan 8.290 nan 0.000 0.522 347 Y N 0.285 120.618 120.300 0.055 0.000 2.330 347 Y HA 0.451 5.045 4.550 0.073 0.000 0.341 347 Y C 1.065 176.983 175.900 0.029 0.000 1.278 347 Y CA 0.733 58.853 58.100 0.034 0.000 1.453 347 Y CB 0.567 39.045 38.460 0.030 0.000 1.342 347 Y HN 0.415 nan 8.280 nan 0.000 0.590 348 E N 2.886 123.169 120.200 0.138 0.000 2.028 348 E HA 0.490 4.883 4.350 0.073 0.000 0.266 348 E C -1.570 175.088 176.600 0.098 0.000 0.962 348 E CA -0.687 55.763 56.400 0.084 0.000 0.784 348 E CB 0.598 30.321 29.700 0.039 0.000 1.114 348 E HN 0.499 nan 8.360 nan 0.000 0.414 349 L N 2.180 123.459 121.223 0.093 0.000 2.295 349 L HA 0.655 5.039 4.340 0.073 0.000 0.285 349 L C -0.139 176.761 176.870 0.050 0.000 1.035 349 L CA -0.549 54.335 54.840 0.074 0.000 0.806 349 L CB 1.679 43.788 42.059 0.083 0.000 1.214 349 L HN 0.558 nan 8.230 nan 0.000 0.426 350 R N 5.411 125.935 120.500 0.040 0.000 2.599 350 R HA 0.723 5.107 4.340 0.073 0.000 0.295 350 R C -1.276 175.052 176.300 0.047 0.000 0.963 350 R CA -0.661 55.464 56.100 0.041 0.000 0.883 350 R CB 1.999 32.320 30.300 0.036 0.000 1.171 350 R HN 0.581 nan 8.270 nan 0.000 0.450 351 I N 2.416 123.024 120.570 0.064 0.000 2.545 351 I HA 0.396 4.610 4.170 0.073 0.000 0.292 351 I C -1.095 175.108 176.117 0.144 0.000 1.040 351 I CA -0.867 60.480 61.300 0.078 0.000 1.068 351 I CB 1.886 39.914 38.000 0.047 0.000 1.251 351 I HN 0.455 nan 8.210 nan 0.000 0.424 352 F N 5.652 125.612 119.950 0.017 0.000 2.507 352 F HA 0.563 5.139 4.527 0.082 0.000 0.325 352 F C -0.968 174.907 175.800 0.124 0.000 1.116 352 F CA -0.223 57.815 58.000 0.063 0.000 0.930 352 F CB 1.221 40.258 39.000 0.062 0.000 1.146 352 F HN 0.372 nan 8.300 nan 0.000 0.447 353 D N 6.204 126.212 120.400 -0.654 0.000 2.452 353 D HA 0.182 4.865 4.640 0.073 0.000 0.226 353 D C 0.497 176.476 176.300 -0.536 0.000 1.366 353 D CA -0.264 53.480 54.000 -0.427 0.000 0.986 353 D CB 1.241 41.992 40.800 -0.081 0.000 1.420 353 D HN 0.737 nan 8.370 nan 0.000 0.583 354 R N 1.635 121.785 120.500 -0.582 0.000 2.096 354 R HA -0.135 4.249 4.340 0.073 0.000 0.240 354 R C 1.492 177.743 176.300 -0.080 0.000 1.139 354 R CA 1.306 57.237 56.100 -0.280 0.000 0.952 354 R CB 0.050 30.300 30.300 -0.084 0.000 0.854 354 R HN 0.448 nan 8.270 nan 0.000 0.436 355 N N 0.153 118.823 118.700 -0.050 0.000 2.171 355 N HA -0.101 4.683 4.740 0.073 0.000 0.184 355 N C 1.930 177.491 175.510 0.085 0.000 1.021 355 N CA 1.125 54.191 53.050 0.027 0.000 0.854 355 N CB -0.216 38.278 38.487 0.011 0.000 0.994 355 N HN 0.041 nan 8.380 nan 0.000 0.426 356 V N 1.521 121.457 119.914 0.036 0.000 2.427 356 V HA -0.162 4.002 4.120 0.073 0.000 0.248 356 V C 2.412 178.532 176.094 0.043 0.000 1.051 356 V CA 1.425 63.758 62.300 0.054 0.000 1.048 356 V CB -0.490 31.357 31.823 0.039 0.000 0.666 356 V HN 0.210 nan 8.190 nan 0.000 0.456 357 E N -0.055 120.145 120.200 0.000 0.000 2.051 357 E HA -0.273 4.121 4.350 0.073 0.000 0.192 357 E C 2.079 178.716 176.600 0.063 0.000 0.991 357 E CA 1.808 58.209 56.400 0.001 0.000 0.799 357 E CB -0.498 29.175 29.700 -0.045 0.000 0.748 357 E HN 0.656 nan 8.360 nan 0.000 0.449 358 Y N 0.269 120.573 120.300 0.006 0.000 2.128 358 Y HA -0.220 4.373 4.550 0.071 0.000 0.284 358 Y C 2.084 178.041 175.900 0.096 0.000 1.154 358 Y CA 2.052 60.203 58.100 0.085 0.000 1.149 358 Y CB -0.637 37.883 38.460 0.100 0.000 0.976 358 Y HN 0.140 nan 8.280 nan 0.000 0.505 359 A N 0.157 123.087 122.820 0.183 0.000 2.019 359 A HA -0.199 4.164 4.320 0.073 0.000 0.219 359 A C 2.268 179.845 177.584 -0.013 0.000 1.164 359 A CA 1.580 53.677 52.037 0.100 0.000 0.644 359 A CB -0.772 18.311 19.000 0.138 0.000 0.805 359 A HN 0.547 nan 8.150 nan 0.000 0.449 360 R N -0.809 119.672 120.500 -0.032 0.000 2.193 360 R HA -0.048 4.336 4.340 0.073 0.000 0.229 360 R C 1.441 177.651 176.300 -0.151 0.000 1.110 360 R CA 1.532 57.596 56.100 -0.061 0.000 0.988 360 R CB -0.092 30.182 30.300 -0.044 0.000 0.871 360 R HN 0.370 nan 8.270 nan 0.000 0.458 361 V N -1.193 118.543 119.914 -0.295 0.000 2.690 361 V HA 0.057 4.221 4.120 0.073 0.000 0.240 361 V C -0.043 175.654 176.094 -0.662 0.000 1.078 361 V CA 0.749 62.732 62.300 -0.528 0.000 1.102 361 V CB 0.017 31.367 31.823 -0.787 0.000 0.800 361 V HN 0.273 nan 8.190 nan 0.000 0.479 362 H N -0.464 118.401 119.070 -0.342 0.000 2.489 362 H HA 0.735 5.332 4.556 0.069 0.000 0.343 362 H C 0.277 175.532 175.328 -0.121 0.000 1.086 362 H CA 0.078 55.966 56.048 -0.267 0.000 1.198 362 H CB 1.515 31.021 29.762 -0.427 0.000 1.490 362 H HN 0.443 nan 8.280 nan 0.000 0.504 363 G N 0.094 108.933 108.800 0.065 0.000 2.355 363 G HA2 0.258 4.262 3.960 0.073 0.000 0.619 363 G HA3 0.258 4.262 3.960 0.073 0.000 0.619 363 G C -0.274 174.653 174.900 0.046 0.000 1.337 363 G CA -0.350 44.794 45.100 0.073 0.000 0.993 363 G HN 0.811 nan 8.290 nan 0.000 0.599 364 A N -1.034 121.816 122.820 0.050 0.000 2.379 364 A HA 0.598 4.962 4.320 0.073 0.000 0.236 364 A C 1.686 179.297 177.584 0.045 0.000 1.272 364 A CA 1.590 53.651 52.037 0.040 0.000 0.886 364 A CB -0.991 18.030 19.000 0.036 0.000 0.962 364 A HN 2.182 nan 8.150 nan 0.000 0.504 365 N N 0.266 118.999 118.700 0.055 0.000 2.204 365 N HA 0.091 4.875 4.740 0.073 0.000 0.219 365 N C 1.295 176.860 175.510 0.092 0.000 1.151 365 N CA 0.314 53.410 53.050 0.076 0.000 0.867 365 N CB -0.475 38.060 38.487 0.079 0.000 1.043 365 N HN 0.539 nan 8.380 nan 0.000 0.516 366 K N 0.164 120.596 120.400 0.054 0.000 2.160 366 K HA -0.169 4.195 4.320 0.073 0.000 0.206 366 K C 2.516 179.145 176.600 0.049 0.000 1.047 366 K CA 1.711 58.018 56.287 0.034 0.000 0.930 366 K CB -0.103 32.397 32.500 0.000 0.000 0.720 366 K HN 0.670 nan 8.250 nan 0.000 0.450 367 E N 1.240 121.481 120.200 0.068 0.000 2.006 367 E HA -0.224 4.170 4.350 0.073 0.000 0.192 367 E C 1.718 178.376 176.600 0.097 0.000 0.993 367 E CA 1.433 57.875 56.400 0.070 0.000 0.808 367 E CB -1.253 28.491 29.700 0.073 0.000 0.764 367 E HN 0.469 nan 8.360 nan 0.000 0.449 368 Y N 0.946 121.256 120.300 0.016 0.000 2.139 368 Y HA -0.230 4.332 4.550 0.020 0.000 0.282 368 Y C 2.312 178.224 175.900 0.021 0.000 1.179 368 Y CA 2.356 60.470 58.100 0.022 0.000 1.161 368 Y CB -0.283 38.192 38.460 0.025 0.000 0.970 368 Y HN 0.246 nan 8.280 nan 0.000 0.511 369 I N 0.056 120.693 120.570 0.111 0.000 2.202 369 I HA -0.231 3.983 4.170 0.073 0.000 0.242 369 I C 2.700 178.788 176.117 -0.049 0.000 1.091 369 I CA 1.791 63.101 61.300 0.016 0.000 1.368 369 I CB -0.894 37.148 38.000 0.069 0.000 1.058 369 I HN 0.416 nan 8.210 nan 0.000 0.410 370 E N 0.111 120.299 120.200 -0.020 0.000 2.230 370 E HA 0.045 4.439 4.350 0.073 0.000 0.192 370 E C 1.973 178.555 176.600 -0.029 0.000 0.987 370 E CA 1.330 57.716 56.400 -0.024 0.000 0.841 370 E CB -0.497 29.196 29.700 -0.013 0.000 0.783 370 E HN 0.670 nan 8.360 nan 0.000 0.481 371 S N -1.299 114.379 115.700 -0.037 0.000 2.589 371 S HA 0.455 4.968 4.470 0.073 0.000 0.235 371 S C 2.050 176.616 174.600 -0.056 0.000 1.051 371 S CA 1.050 59.232 58.200 -0.030 0.000 0.978 371 S CB 0.231 63.427 63.200 -0.008 0.000 0.929 371 S HN 0.564 nan 8.310 nan 0.000 0.523 372 K N 0.284 120.600 120.400 -0.140 0.000 2.335 372 K HA 0.650 5.014 4.320 0.073 0.000 0.195 372 K C 0.795 177.250 176.600 -0.243 0.000 1.058 372 K CA 0.748 56.906 56.287 -0.216 0.000 0.988 372 K CB -0.114 32.176 32.500 -0.351 0.000 0.880 372 K HN 0.391 nan 8.250 nan 0.000 0.513 373 I N 0.885 121.276 120.570 -0.298 0.000 2.979 373 I HA 0.218 4.431 4.170 0.073 0.000 0.337 373 I C -2.178 173.825 176.117 -0.190 0.000 1.453 373 I CA -1.738 59.411 61.300 -0.251 0.000 0.891 373 I CB 2.142 39.870 38.000 -0.453 0.000 1.887 373 I HN -0.013 nan 8.210 nan 0.000 0.546 374 P HA -0.177 nan 4.420 nan 0.000 0.217 374 P C 1.477 178.788 177.300 0.020 0.000 1.150 374 P CA 1.522 64.629 63.100 0.010 0.000 0.832 374 P CB -0.237 31.495 31.700 0.053 0.000 0.787 375 H N -1.153 117.898 119.070 -0.032 0.000 2.489 375 H HA 0.012 4.611 4.556 0.071 0.000 0.293 375 H C 1.441 176.770 175.328 0.002 0.000 1.066 375 H CA 0.994 57.036 56.048 -0.011 0.000 1.305 375 H CB -1.385 28.373 29.762 -0.007 0.000 1.386 375 H HN 0.017 nan 8.280 nan 0.000 0.551 376 V N 1.291 120.895 119.914 -0.517 0.000 2.521 376 V HA -0.146 4.017 4.120 0.073 0.000 0.239 376 V C 2.906 178.913 176.094 -0.144 0.000 1.053 376 V CA 1.381 63.493 62.300 -0.313 0.000 1.073 376 V CB -0.341 31.253 31.823 -0.382 0.000 0.746 376 V HN 0.588 nan 8.190 nan 0.000 0.476 377 S N 1.824 117.438 115.700 -0.142 0.000 2.400 377 S HA -0.217 4.296 4.470 0.073 0.000 0.232 377 S C 2.042 176.620 174.600 -0.038 0.000 1.025 377 S CA 1.797 59.957 58.200 -0.068 0.000 0.993 377 S CB -0.850 62.313 63.200 -0.062 0.000 0.808 377 S HN 0.715 nan 8.310 nan 0.000 0.478 378 S N 1.506 117.187 115.700 -0.033 0.000 2.547 378 S HA 0.157 4.671 4.470 0.073 0.000 0.235 378 S C 1.513 176.114 174.600 0.003 0.000 0.980 378 S CA 0.562 58.758 58.200 -0.008 0.000 0.941 378 S CB -0.744 62.459 63.200 0.006 0.000 0.763 378 S HN 0.599 nan 8.310 nan 0.000 0.532 379 L N 0.346 121.568 121.223 -0.002 0.000 2.607 379 L HA 0.326 4.710 4.340 0.073 0.000 0.228 379 L C 0.079 176.962 176.870 0.022 0.000 1.123 379 L CA -0.380 54.469 54.840 0.014 0.000 0.890 379 L CB -0.198 41.871 42.059 0.017 0.000 1.103 379 L HN 0.269 nan 8.230 nan 0.000 0.468 380 L N 0.962 122.192 121.223 0.012 0.000 2.453 380 L HA 0.104 4.488 4.340 0.073 0.000 0.272 380 L C -0.065 176.828 176.870 0.039 0.000 1.182 380 L CA 0.540 55.391 54.840 0.018 0.000 0.858 380 L CB 1.109 43.164 42.059 -0.007 0.000 1.120 380 L HN -0.262 nan 8.230 nan 0.000 0.474 381 V N 3.335 123.295 119.914 0.076 0.000 2.487 381 V HA 0.254 4.418 4.120 0.073 0.000 0.298 381 V C 0.840 177.037 176.094 0.173 0.000 1.028 381 V CA -0.098 62.267 62.300 0.109 0.000 0.860 381 V CB 1.673 33.567 31.823 0.118 0.000 0.991 381 V HN 0.935 nan 8.190 nan 0.000 0.427 382 S N 1.531 117.313 115.700 0.137 0.000 2.481 382 S HA -0.016 4.498 4.470 0.073 0.000 0.231 382 S C 0.566 175.347 174.600 0.303 0.000 0.996 382 S CA 0.480 58.778 58.200 0.163 0.000 0.942 382 S CB 0.012 63.271 63.200 0.099 0.000 0.768 382 S HN 0.772 nan 8.310 nan 0.000 0.520 383 D N 0.956 121.505 120.400 0.248 0.000 2.392 383 D HA 0.226 4.910 4.640 0.073 0.000 0.228 383 D C 0.711 177.071 176.300 0.100 0.000 1.074 383 D CA -0.561 53.544 54.000 0.175 0.000 0.838 383 D CB 1.528 42.380 40.800 0.088 0.000 1.067 383 D HN 0.120 nan 8.370 nan 0.000 0.511 384 L N 4.572 125.736 121.223 -0.097 0.000 2.083 384 L HA -0.112 4.272 4.340 0.073 0.000 0.209 384 L C 1.303 178.037 176.870 -0.226 0.000 1.083 384 L CA 1.861 56.415 54.840 -0.476 0.000 0.752 384 L CB -0.230 41.319 42.059 -0.849 0.000 0.899 384 L HN 0.359 nan 8.230 nan 0.000 0.433 385 D N -0.638 119.686 120.400 -0.127 0.000 2.178 385 D HA -0.195 4.489 4.640 0.073 0.000 0.202 385 D C 2.038 178.304 176.300 -0.058 0.000 0.974 385 D CA 1.175 55.123 54.000 -0.086 0.000 0.841 385 D CB 0.095 40.863 40.800 -0.054 0.000 0.953 385 D HN 0.458 nan 8.370 nan 0.000 0.478 386 E N 0.664 120.845 120.200 -0.030 0.000 2.107 386 E HA -0.081 4.312 4.350 0.073 0.000 0.191 386 E C 1.996 178.587 176.600 -0.015 0.000 0.982 386 E CA 0.441 56.835 56.400 -0.010 0.000 0.809 386 E CB -0.132 29.578 29.700 0.016 0.000 0.756 386 E HN 0.003 nan 8.360 nan 0.000 0.459 387 V N -0.161 119.741 119.914 -0.020 0.000 2.343 387 V HA -0.224 3.940 4.120 0.073 0.000 0.247 387 V C 2.382 178.440 176.094 -0.060 0.000 1.051 387 V CA 1.559 63.846 62.300 -0.022 0.000 1.036 387 V CB -0.442 31.376 31.823 -0.007 0.000 0.654 387 V HN 0.172 nan 8.190 nan 0.000 0.451 388 V N 0.237 120.096 119.914 -0.092 0.000 2.270 388 V HA -0.241 3.922 4.120 0.073 0.000 0.245 388 V C 2.727 178.780 176.094 -0.069 0.000 1.043 388 V CA 2.055 64.296 62.300 -0.099 0.000 1.014 388 V CB -1.102 30.651 31.823 -0.117 0.000 0.645 388 V HN 0.553 nan 8.190 nan 0.000 0.447 389 A N -0.747 122.041 122.820 -0.054 0.000 1.908 389 A HA -0.219 4.145 4.320 0.073 0.000 0.218 389 A C 2.422 179.987 177.584 -0.031 0.000 1.181 389 A CA 2.421 54.434 52.037 -0.040 0.000 0.627 389 A CB -0.646 18.335 19.000 -0.030 0.000 0.818 389 A HN 0.497 nan 8.150 nan 0.000 0.445 390 S N -0.378 115.307 115.700 -0.025 0.000 2.496 390 S HA 0.117 4.631 4.470 0.073 0.000 0.224 390 S C 0.764 175.353 174.600 -0.018 0.000 0.996 390 S CA 0.290 58.480 58.200 -0.016 0.000 0.927 390 S CB -0.075 63.122 63.200 -0.006 0.000 0.774 390 S HN 0.511 nan 8.310 nan 0.000 0.524 391 S N 1.432 117.115 115.700 -0.029 0.000 2.617 391 S HA 0.317 4.830 4.470 0.073 0.000 0.283 391 S C 0.194 174.769 174.600 -0.041 0.000 1.189 391 S CA -0.768 57.414 58.200 -0.031 0.000 1.036 391 S CB 1.203 64.377 63.200 -0.043 0.000 1.014 391 S HN 0.182 nan 8.310 nan 0.000 0.522 392 D N 0.479 120.858 120.400 -0.036 0.000 2.323 392 D HA 0.111 4.795 4.640 0.073 0.000 0.218 392 D C 0.084 176.334 176.300 -0.084 0.000 0.973 392 D CA 0.800 54.770 54.000 -0.049 0.000 0.890 392 D CB 0.282 41.066 40.800 -0.027 0.000 1.011 392 D HN 0.244 nan 8.370 nan 0.000 0.499 393 V N 2.707 122.574 119.914 -0.077 0.000 2.384 393 V HA 0.264 4.428 4.120 0.073 0.000 0.287 393 V C -0.491 175.535 176.094 -0.113 0.000 1.020 393 V CA -0.702 61.527 62.300 -0.118 0.000 0.850 393 V CB 2.294 34.065 31.823 -0.086 0.000 0.987 393 V HN -0.010 nan 8.190 nan 0.000 0.436 394 L N 5.859 126.998 121.223 -0.140 0.000 2.313 394 L HA 0.575 4.959 4.340 0.073 0.000 0.283 394 L C -0.199 176.571 176.870 -0.167 0.000 1.013 394 L CA -0.381 54.366 54.840 -0.155 0.000 0.816 394 L CB 1.795 43.750 42.059 -0.175 0.000 1.236 394 L HN 0.385 nan 8.230 nan 0.000 0.419 395 V N 5.043 124.852 119.914 -0.175 0.000 2.347 395 V HA 0.317 4.480 4.120 0.073 0.000 0.280 395 V C 0.048 176.019 176.094 -0.206 0.000 1.021 395 V CA -0.697 61.500 62.300 -0.171 0.000 0.847 395 V CB 1.724 33.452 31.823 -0.159 0.000 0.990 395 V HN 0.381 nan 8.190 nan 0.000 0.444 396 L N 5.143 126.277 121.223 -0.149 0.000 2.334 396 L HA 0.432 4.816 4.340 0.073 0.000 0.286 396 L C 1.365 178.258 176.870 0.038 0.000 1.108 396 L CA 0.713 55.503 54.840 -0.084 0.000 0.875 396 L CB 0.472 42.587 42.059 0.093 0.000 1.246 396 L HN 0.721 nan 8.230 nan 0.000 0.439 397 G N 2.385 111.193 108.800 0.014 0.000 2.510 397 G HA2 -0.020 3.984 3.960 0.073 0.000 0.212 397 G HA3 -0.020 3.984 3.960 0.073 0.000 0.212 397 G C 0.555 175.559 174.900 0.172 0.000 1.151 397 G CA 0.265 45.377 45.100 0.021 0.000 0.817 397 G HN 0.629 nan 8.290 nan 0.000 0.534 398 N N -1.673 117.223 118.700 0.326 0.000 2.761 398 N HA 0.466 5.250 4.740 0.073 0.000 0.283 398 N C 0.412 176.191 175.510 0.448 0.000 1.377 398 N CA -0.238 52.998 53.050 0.309 0.000 0.791 398 N CB 0.770 39.383 38.487 0.208 0.000 1.540 398 N HN -0.059 nan 8.380 nan 0.000 0.539 399 G N -0.979 107.959 108.800 0.230 0.000 3.474 399 G HA2 0.030 4.033 3.960 0.073 0.000 0.269 399 G HA3 0.030 4.033 3.960 0.073 0.000 0.269 399 G C -0.400 174.595 174.900 0.158 0.000 1.339 399 G CA -0.239 44.962 45.100 0.169 0.000 1.258 399 G HN 0.646 nan 8.290 nan 0.000 0.560 400 D N 0.510 120.936 120.400 0.043 0.000 2.417 400 D HA 0.278 4.962 4.640 0.073 0.000 0.250 400 D C 1.541 177.658 176.300 -0.304 0.000 1.166 400 D CA 0.425 54.207 54.000 -0.363 0.000 0.881 400 D CB 1.050 41.273 40.800 -0.962 0.000 1.164 400 D HN 0.333 nan 8.370 nan 0.000 0.467 401 E N 3.561 123.675 120.200 -0.144 0.000 2.333 401 E HA -0.169 4.225 4.350 0.073 0.000 0.198 401 E C 1.849 178.371 176.600 -0.129 0.000 1.007 401 E CA 0.535 56.910 56.400 -0.042 0.000 0.845 401 E CB -0.384 29.297 29.700 -0.031 0.000 0.766 401 E HN 0.461 nan 8.360 nan 0.000 0.507 402 L N -0.436 120.610 121.223 -0.296 0.000 2.353 402 L HA 0.025 4.409 4.340 0.073 0.000 0.220 402 L C 1.415 178.220 176.870 -0.108 0.000 1.133 402 L CA 1.133 55.843 54.840 -0.216 0.000 0.798 402 L CB -0.529 41.406 42.059 -0.207 0.000 0.922 402 L HN 0.435 nan 8.230 nan 0.000 0.445 403 F N -2.529 117.313 119.950 -0.179 0.000 2.789 403 F HA 0.096 4.665 4.527 0.070 0.000 0.300 403 F C 2.146 177.661 175.800 -0.476 0.000 1.132 403 F CA -0.214 57.540 58.000 -0.409 0.000 1.404 403 F CB -1.492 37.105 39.000 -0.671 0.000 1.114 403 F HN -0.174 nan 8.300 nan 0.000 0.584 404 V N 0.910 120.755 119.914 -0.114 0.000 2.255 404 V HA -0.316 3.848 4.120 0.073 0.000 0.247 404 V C 2.522 178.585 176.094 -0.052 0.000 1.051 404 V CA 2.462 64.741 62.300 -0.036 0.000 1.018 404 V CB -1.481 30.379 31.823 0.062 0.000 0.641 404 V HN 0.436 nan 8.190 nan 0.000 0.445 405 D N 0.019 120.391 120.400 -0.046 0.000 2.116 405 D HA -0.271 4.413 4.640 0.073 0.000 0.193 405 D C 2.077 178.341 176.300 -0.061 0.000 0.998 405 D CA 1.901 55.874 54.000 -0.044 0.000 0.836 405 D CB -0.528 40.246 40.800 -0.043 0.000 0.951 405 D HN 0.354 nan 8.370 nan 0.000 0.449 406 L N 0.114 121.285 121.223 -0.087 0.000 2.079 406 L HA -0.072 4.312 4.340 0.073 0.000 0.210 406 L C 2.583 179.395 176.870 -0.098 0.000 1.081 406 L CA 1.647 56.424 54.840 -0.105 0.000 0.752 406 L CB -0.237 41.733 42.059 -0.149 0.000 0.896 406 L HN 0.261 nan 8.230 nan 0.000 0.433 407 V N -0.040 119.812 119.914 -0.103 0.000 2.407 407 V HA -0.158 4.006 4.120 0.073 0.000 0.245 407 V C 2.264 178.340 176.094 -0.030 0.000 1.041 407 V CA 1.647 63.909 62.300 -0.063 0.000 1.040 407 V CB -0.850 30.948 31.823 -0.042 0.000 0.671 407 V HN 0.489 nan 8.190 nan 0.000 0.455 408 N N 0.997 119.681 118.700 -0.027 0.000 2.171 408 N HA -0.032 4.752 4.740 0.073 0.000 0.184 408 N C 1.221 176.721 175.510 -0.018 0.000 1.021 408 N CA 1.599 54.638 53.050 -0.017 0.000 0.854 408 N CB -0.225 38.254 38.487 -0.013 0.000 0.994 408 N HN 0.587 nan 8.380 nan 0.000 0.426 409 K N 1.174 121.557 120.400 -0.027 0.000 2.800 409 K HA 0.351 4.715 4.320 0.073 0.000 0.185 409 K C -0.297 176.281 176.600 -0.037 0.000 1.082 409 K CA -0.482 55.789 56.287 -0.027 0.000 0.978 409 K CB -0.685 31.799 32.500 -0.026 0.000 1.364 409 K HN -0.015 nan 8.250 nan 0.000 0.592 410 T N 4.107 118.639 114.554 -0.037 0.000 2.799 410 T HA 0.306 4.699 4.350 0.073 0.000 0.296 410 T C -1.990 172.684 174.700 -0.043 0.000 0.947 410 T CA -0.683 61.388 62.100 -0.048 0.000 1.141 410 T CB 0.670 69.510 68.868 -0.047 0.000 0.891 410 T HN 0.444 nan 8.240 nan 0.000 0.533 411 P HA 0.302 nan 4.420 nan 0.000 0.268 411 P C 0.122 177.397 177.300 -0.041 0.000 1.208 411 P CA -0.229 62.845 63.100 -0.043 0.000 0.777 411 P CB 0.225 31.895 31.700 -0.049 0.000 0.875 412 S N 0.698 116.378 115.700 -0.034 0.000 2.579 412 S HA 0.434 4.947 4.470 0.073 0.000 0.275 412 S C 1.327 175.905 174.600 -0.036 0.000 1.345 412 S CA 0.205 58.386 58.200 -0.031 0.000 1.031 412 S CB -0.563 62.623 63.200 -0.024 0.000 0.892 412 S HN 0.948 nan 8.310 nan 0.000 0.529 413 G N 0.351 109.128 108.800 -0.037 0.000 2.148 413 G HA2 -0.161 3.843 3.960 0.073 0.000 0.254 413 G HA3 -0.161 3.843 3.960 0.073 0.000 0.254 413 G C -0.005 174.861 174.900 -0.057 0.000 0.981 413 G CA 0.665 45.741 45.100 -0.041 0.000 0.670 413 G HN 0.769 nan 8.290 nan 0.000 0.528 414 K N 0.181 120.540 120.400 -0.068 0.000 2.203 414 K HA 0.698 5.062 4.320 0.073 0.000 0.251 414 K C -0.022 176.505 176.600 -0.122 0.000 0.944 414 K CA -0.641 55.591 56.287 -0.093 0.000 0.829 414 K CB 1.136 33.582 32.500 -0.090 0.000 1.125 414 K HN 0.006 nan 8.250 nan 0.000 0.430 415 K N 2.731 123.025 120.400 -0.178 0.000 2.274 415 K HA 0.422 4.786 4.320 0.073 0.000 0.262 415 K C -0.531 175.936 176.600 -0.222 0.000 0.961 415 K CA -0.457 55.673 56.287 -0.261 0.000 0.833 415 K CB 1.131 33.314 32.500 -0.527 0.000 1.102 415 K HN 0.489 nan 8.250 nan 0.000 0.436 416 L N 2.344 123.470 121.223 -0.162 0.000 2.325 416 L HA 0.483 4.867 4.340 0.073 0.000 0.279 416 L C -0.137 176.670 176.870 -0.106 0.000 1.054 416 L CA -1.210 53.558 54.840 -0.121 0.000 0.804 416 L CB 1.516 43.532 42.059 -0.071 0.000 1.200 416 L HN 0.109 nan 8.230 nan 0.000 0.436 417 V N 1.468 121.321 119.914 -0.102 0.000 2.376 417 V HA 0.210 4.374 4.120 0.073 0.000 0.287 417 V C -0.699 175.352 176.094 -0.073 0.000 1.015 417 V CA -0.509 61.735 62.300 -0.093 0.000 0.834 417 V CB 1.701 33.461 31.823 -0.105 0.000 1.001 417 V HN 0.632 nan 8.190 nan 0.000 0.428 418 D N 4.507 124.888 120.400 -0.032 0.000 2.359 418 D HA 0.377 5.061 4.640 0.073 0.000 0.230 418 D C 0.575 176.899 176.300 0.040 0.000 1.118 418 D CA -0.173 53.900 54.000 0.121 0.000 0.844 418 D CB 1.456 42.468 40.800 0.352 0.000 1.059 418 D HN 0.434 nan 8.370 nan 0.000 0.493 419 L N 3.258 124.511 121.223 0.050 0.000 2.640 419 L HA 0.103 4.486 4.340 0.073 0.000 0.230 419 L C 1.686 178.675 176.870 0.198 0.000 1.123 419 L CA -0.074 54.748 54.840 -0.031 0.000 0.900 419 L CB 0.362 42.216 42.059 -0.342 0.000 1.146 419 L HN 0.389 nan 8.230 nan 0.000 0.484 420 V N -3.571 116.534 119.914 0.319 0.000 3.371 420 V HA 0.560 4.723 4.120 0.073 0.000 0.246 420 V C 1.004 177.155 176.094 0.094 0.000 1.303 420 V CA 0.738 63.157 62.300 0.197 0.000 1.156 420 V CB 0.923 32.762 31.823 0.027 0.000 0.929 420 V HN 0.286 nan 8.190 nan 0.000 0.459 421 G N 0.215 109.107 108.800 0.153 0.000 2.157 421 G HA2 -0.108 3.896 3.960 0.073 0.000 0.114 421 G HA3 -0.108 3.896 3.960 0.073 0.000 0.114 421 G C -0.394 174.337 174.900 -0.283 0.000 1.041 421 G CA -0.100 44.801 45.100 -0.331 0.000 0.714 421 G HN 0.442 nan 8.290 nan 0.000 0.492 425 H N -0.814 118.262 119.070 0.010 0.000 3.436 425 H HA 0.681 5.281 4.556 0.073 0.000 0.312 425 H C -0.003 175.389 175.328 0.107 0.000 1.675 425 H CA -0.345 55.721 56.048 0.030 0.000 1.361 425 H CB 0.504 30.288 29.762 0.038 0.000 1.731 425 H HN -0.077 nan 8.280 nan 0.000 0.732 426 T N -1.316 113.411 114.554 0.288 0.000 2.862 426 T HA 0.227 4.621 4.350 0.073 0.000 0.276 426 T C 0.289 175.132 174.700 0.239 0.000 0.974 426 T CA -0.951 61.319 62.100 0.284 0.000 0.966 426 T CB 0.822 69.807 68.868 0.195 0.000 1.072 426 T HN 0.450 nan 8.240 nan 0.000 0.538 427 T N 2.491 117.161 114.554 0.193 0.000 2.923 427 T HA 0.364 4.757 4.350 0.073 0.000 0.304 427 T C 0.790 175.540 174.700 0.085 0.000 1.044 427 T CA 0.405 62.569 62.100 0.106 0.000 1.141 427 T CB -0.199 68.693 68.868 0.040 0.000 1.023 427 T HN 0.999 nan 8.240 nan 0.000 0.533 428 T N -0.585 114.010 114.554 0.069 0.000 2.693 428 T HA 0.703 5.097 4.350 0.073 0.000 0.278 428 T C 1.531 176.253 174.700 0.037 0.000 0.994 428 T CA -0.355 61.776 62.100 0.052 0.000 1.033 428 T CB 1.112 70.013 68.868 0.056 0.000 1.342 428 T HN 0.368 nan 8.240 nan 0.000 0.538 429 A N -0.297 122.540 122.820 0.028 0.000 2.015 429 A HA 0.248 4.612 4.320 0.073 0.000 0.219 429 A C 2.483 180.070 177.584 0.005 0.000 1.163 429 A CA 2.099 54.150 52.037 0.023 0.000 0.646 429 A CB -1.478 17.532 19.000 0.017 0.000 0.806 429 A HN 1.159 nan 8.150 nan 0.000 0.448 430 Q N -1.631 118.168 119.800 -0.003 0.000 2.378 430 Q HA 0.681 5.064 4.340 0.073 0.000 0.216 430 Q C 0.642 176.615 176.000 -0.045 0.000 0.892 430 Q CA 0.928 56.711 55.803 -0.033 0.000 0.931 430 Q CB -0.168 28.556 28.738 -0.023 0.000 1.086 430 Q HN 1.470 nan 8.270 nan 0.000 0.528 431 A N -0.002 122.813 122.820 -0.009 0.000 2.437 431 A HA 0.658 5.022 4.320 0.073 0.000 0.293 431 A C -1.279 176.320 177.584 0.025 0.000 1.038 431 A CA -0.393 51.645 52.037 0.002 0.000 0.708 431 A CB 1.476 20.498 19.000 0.036 0.000 1.251 431 A HN 0.255 nan 8.150 nan 0.000 0.409 432 E N 1.509 121.704 120.200 -0.008 0.000 2.266 432 E HA 0.621 5.015 4.350 0.073 0.000 0.268 432 E C 0.048 176.545 176.600 -0.171 0.000 0.879 432 E CA -0.617 55.753 56.400 -0.050 0.000 0.762 432 E CB 1.988 31.670 29.700 -0.031 0.000 1.199 432 E HN 0.885 nan 8.360 nan 0.000 0.422 433 G N 2.733 111.289 108.800 -0.407 0.000 2.410 433 G HA2 0.252 4.256 3.960 0.073 0.000 0.330 433 G HA3 0.252 4.256 3.960 0.073 0.000 0.330 433 G C 0.455 174.762 174.900 -0.988 0.000 1.142 433 G CA -0.568 43.859 45.100 -1.121 0.000 0.902 433 G HN 0.739 nan 8.290 nan 0.000 0.491 434 I N -0.205 119.727 120.570 -1.064 0.000 2.493 434 I HA -0.038 4.176 4.170 0.073 0.000 0.254 434 I C 0.897 176.721 176.117 -0.489 0.000 1.160 434 I CA 0.887 61.847 61.300 -0.566 0.000 1.445 434 I CB 0.304 38.115 38.000 -0.315 0.000 1.086 434 I HN 0.358 nan 8.210 nan 0.000 0.433 435 C N 0.366 119.214 119.300 -0.754 0.000 3.245 435 C HA 0.347 4.850 4.460 0.073 0.000 0.254 435 C C -0.564 174.561 174.990 0.226 0.000 1.931 435 C CA -0.840 58.115 59.018 -0.105 0.000 1.726 435 C CB -1.719 26.144 27.740 0.205 0.000 3.348 435 C HN 0.677 nan 8.230 nan 0.000 0.458 436 W N 0.000 121.315 121.300 0.025 0.000 2.388 436 W HA 0.000 4.703 4.660 0.072 0.000 0.303 436 W CA 0.000 57.361 57.345 0.026 0.000 1.226 436 W CB 0.000 29.475 29.460 0.024 0.000 1.126 436 W HN 0.000 nan 8.180 nan 0.000 0.535