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 2muc_1_B DATA FIRST_RESID 4 DATA SEQUENCE ALIERIDAII VDLPTIRXXX XXXXXXQQQT LVVLRVRCSD GVEGIGEATT DATA SEQUENCE IGGLAYGYES PEGIKANIDA HLAPALIGLA ADNINAAMLK LDKLAKGNTF DATA SEQUENCE AKSGIESALL DAQGKRLGLP VSELLGGRVR DSLEVAWTLA SGDTARDIAE DATA SEQUENCE ARHMLEIRRH RVFKLKIGAN PVEQDLKHVV TIKRELGDSA SVRVDVNQYW DATA SEQUENCE DESQAIRACQ VLGDNGIDLI EQPISRINRG GQVRLNQRTP APIMADESIE DATA SEQUENCE SVEDAFSLAA DGAASIFALK IAKNGGPRAV LRTAQIAEAA GIGLYGGTML DATA SEQUENCE EGSIGTLASA HAFLTLRQLT WGTELIGPLL LTEEIVNEPP QYRDFQLHIP DATA SEQUENCE RTPGLGLTLD EQRLARFAR 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 4 A HA 0.000 nan 4.320 nan 0.000 0.244 4 A C 0.000 177.582 177.584 -0.003 0.000 1.274 4 A CA 0.000 52.035 52.037 -0.004 0.000 0.836 4 A CB 0.000 18.997 19.000 -0.005 0.000 0.831 5 L N 1.881 123.102 121.223 -0.003 0.000 2.319 5 L HA 0.654 4.997 4.340 0.005 0.000 0.267 5 L C 0.012 176.881 176.870 -0.002 0.000 1.011 5 L CA -0.517 54.322 54.840 -0.002 0.000 0.818 5 L CB 1.726 43.784 42.059 -0.002 0.000 1.316 5 L HN 0.677 nan 8.230 nan 0.000 0.432 6 I N 1.730 122.299 120.570 -0.002 0.000 2.436 6 I HA 0.077 4.250 4.170 0.005 0.000 0.289 6 I C 0.985 177.101 176.117 -0.001 0.000 1.083 6 I CA 0.274 61.573 61.300 -0.001 0.000 1.372 6 I CB 0.565 38.565 38.000 -0.000 0.000 1.408 6 I HN 0.724 nan 8.210 nan 0.000 0.516 7 E N 5.286 125.485 120.200 -0.001 0.000 2.099 7 E HA 0.140 4.493 4.350 0.005 0.000 0.191 7 E C 0.727 177.327 176.600 -0.001 0.000 0.962 7 E CA 0.373 56.772 56.400 -0.001 0.000 0.826 7 E CB 0.601 30.300 29.700 -0.001 0.000 0.788 7 E HN 0.470 nan 8.360 nan 0.000 0.461 8 R N 0.350 120.850 120.500 -0.000 0.000 2.668 8 R HA 0.476 4.820 4.340 0.005 0.000 0.272 8 R C -1.821 174.480 176.300 0.002 0.000 1.019 8 R CA -0.430 55.670 56.100 0.000 0.000 0.894 8 R CB 1.380 31.681 30.300 0.000 0.000 1.228 8 R HN -0.064 nan 8.270 nan 0.000 0.460 9 I N 2.802 123.374 120.570 0.003 0.000 2.499 9 I HA 0.331 4.505 4.170 0.005 0.000 0.288 9 I C -1.094 175.027 176.117 0.007 0.000 1.048 9 I CA -0.828 60.476 61.300 0.006 0.000 1.062 9 I CB 2.273 40.278 38.000 0.008 0.000 1.238 9 I HN 0.428 nan 8.210 nan 0.000 0.426 10 D N 5.598 126.003 120.400 0.009 0.000 2.375 10 D HA 0.565 5.209 4.640 0.005 0.000 0.247 10 D C -0.676 175.634 176.300 0.016 0.000 1.061 10 D CA -0.321 53.686 54.000 0.011 0.000 0.834 10 D CB 2.726 43.532 40.800 0.011 0.000 1.247 10 D HN 0.546 nan 8.370 nan 0.000 0.489 11 A N 3.087 125.918 122.820 0.018 0.000 2.267 11 A HA 0.596 4.919 4.320 0.005 0.000 0.315 11 A C -0.277 177.322 177.584 0.025 0.000 1.297 11 A CA -0.598 51.454 52.037 0.024 0.000 0.865 11 A CB 0.169 19.185 19.000 0.027 0.000 1.165 11 A HN 0.522 nan 8.150 nan 0.000 0.513 12 I N 3.556 124.144 120.570 0.030 0.000 2.362 12 I HA 0.329 4.502 4.170 0.005 0.000 0.289 12 I C -0.402 175.738 176.117 0.038 0.000 0.994 12 I CA -0.400 60.920 61.300 0.033 0.000 1.158 12 I CB 1.672 39.693 38.000 0.036 0.000 1.315 12 I HN 0.498 nan 8.210 nan 0.000 0.451 13 I N 6.752 127.344 120.570 0.038 0.000 2.371 13 I HA 0.284 4.457 4.170 0.005 0.000 0.290 13 I C -0.380 175.768 176.117 0.052 0.000 1.028 13 I CA -0.435 60.889 61.300 0.040 0.000 1.345 13 I CB 1.141 39.161 38.000 0.034 0.000 1.407 13 I HN 0.238 nan 8.210 nan 0.000 0.501 14 V N 5.563 125.510 119.914 0.054 0.000 2.656 14 V HA 0.338 4.462 4.120 0.005 0.000 0.307 14 V C -0.616 175.510 176.094 0.053 0.000 1.051 14 V CA -0.804 61.541 62.300 0.074 0.000 0.893 14 V CB 2.206 34.074 31.823 0.075 0.000 0.999 14 V HN 0.597 nan 8.190 nan 0.000 0.426 15 D N 5.107 125.552 120.400 0.075 0.000 2.414 15 D HA 0.517 5.161 4.640 0.005 0.000 0.232 15 D C -0.704 175.557 176.300 -0.064 0.000 1.070 15 D CA -0.101 53.916 54.000 0.028 0.000 0.839 15 D CB 2.297 43.133 40.800 0.059 0.000 1.079 15 D HN 0.298 nan 8.370 nan 0.000 0.521 16 L N 3.763 124.890 121.223 -0.160 0.000 2.325 16 L HA 0.436 4.779 4.340 0.005 0.000 0.278 16 L C -2.199 174.530 176.870 -0.234 0.000 1.023 16 L CA -1.909 52.714 54.840 -0.362 0.000 0.811 16 L CB 2.179 44.051 42.059 -0.312 0.000 1.249 16 L HN 0.059 nan 8.230 nan 0.000 0.431 17 P HA 0.175 nan 4.420 nan 0.000 0.279 17 P C -0.805 176.443 177.300 -0.086 0.000 1.239 17 P CA -0.255 62.775 63.100 -0.117 0.000 0.789 17 P CB 1.393 33.046 31.700 -0.078 0.000 0.933 18 T N -1.223 113.306 114.554 -0.041 0.000 2.938 18 T HA 0.445 4.798 4.350 0.005 0.000 0.285 18 T C 1.453 176.157 174.700 0.006 0.000 1.028 18 T CA -0.886 61.203 62.100 -0.018 0.000 1.005 18 T CB 0.719 69.576 68.868 -0.017 0.000 1.157 18 T HN 0.434 nan 8.240 nan 0.000 0.550 19 I N -2.180 118.407 120.570 0.028 0.000 3.291 19 I HA 0.219 4.393 4.170 0.005 0.000 0.279 19 I C 1.053 177.197 176.117 0.043 0.000 1.294 19 I CA -0.502 60.828 61.300 0.049 0.000 1.428 19 I CB -0.271 37.782 38.000 0.088 0.000 1.070 19 I HN 0.355 nan 8.210 nan 0.000 0.478 31 Q N 0.443 120.238 119.800 -0.009 0.000 2.391 31 Q HA 0.653 4.997 4.340 0.005 0.000 0.279 31 Q C -1.693 174.294 176.000 -0.023 0.000 1.028 31 Q CA -0.913 54.877 55.803 -0.021 0.000 0.836 31 Q CB 2.413 31.144 28.738 -0.012 0.000 1.414 31 Q HN 0.338 nan 8.270 nan 0.000 0.397 32 Q N 0.976 120.754 119.800 -0.037 0.000 2.316 32 Q HA 0.477 4.820 4.340 0.005 0.000 0.264 32 Q C -1.444 174.542 176.000 -0.024 0.000 0.987 32 Q CA -0.118 55.667 55.803 -0.030 0.000 0.852 32 Q CB 2.363 31.080 28.738 -0.034 0.000 1.287 32 Q HN 0.704 nan 8.270 nan 0.000 0.448 33 T N 4.787 119.337 114.554 -0.007 0.000 2.749 33 T HA 0.563 4.917 4.350 0.005 0.000 0.287 33 T C -0.772 173.937 174.700 0.016 0.000 0.970 33 T CA -0.458 61.645 62.100 0.005 0.000 0.980 33 T CB 0.324 69.198 68.868 0.011 0.000 0.924 33 T HN 0.389 nan 8.240 nan 0.000 0.456 34 L N 3.207 124.442 121.223 0.020 0.000 2.334 34 L HA 0.666 5.009 4.340 0.005 0.000 0.270 34 L C -0.210 176.684 176.870 0.040 0.000 1.018 34 L CA -0.843 54.017 54.840 0.032 0.000 0.811 34 L CB 1.726 43.800 42.059 0.027 0.000 1.271 34 L HN 0.359 nan 8.230 nan 0.000 0.443 35 V N 2.400 122.343 119.914 0.049 0.000 2.349 35 V HA 0.400 4.523 4.120 0.005 0.000 0.284 35 V C -0.361 175.760 176.094 0.046 0.000 1.014 35 V CA -0.738 61.590 62.300 0.048 0.000 0.826 35 V CB 1.690 33.545 31.823 0.055 0.000 1.009 35 V HN 0.424 nan 8.190 nan 0.000 0.431 36 V N 6.267 126.205 119.914 0.040 0.000 2.432 36 V HA 0.374 4.497 4.120 0.005 0.000 0.275 36 V C 0.032 176.144 176.094 0.030 0.000 1.043 36 V CA -0.440 61.881 62.300 0.035 0.000 0.925 36 V CB 1.472 33.317 31.823 0.037 0.000 0.985 36 V HN 0.499 nan 8.190 nan 0.000 0.466 37 L N 6.221 127.459 121.223 0.025 0.000 2.309 37 L HA 0.607 4.950 4.340 0.005 0.000 0.282 37 L C 0.155 177.034 176.870 0.014 0.000 1.036 37 L CA -0.186 54.666 54.840 0.020 0.000 0.806 37 L CB 1.590 43.660 42.059 0.019 0.000 1.220 37 L HN 0.624 nan 8.230 nan 0.000 0.429 38 R N 2.347 122.854 120.500 0.012 0.000 2.451 38 R HA 0.557 4.900 4.340 0.005 0.000 0.307 38 R C -1.159 175.144 176.300 0.005 0.000 0.965 38 R CA -0.588 55.517 56.100 0.008 0.000 0.865 38 R CB 2.322 32.628 30.300 0.010 0.000 1.174 38 R HN 0.281 nan 8.270 nan 0.000 0.455 39 V N 4.054 123.969 119.914 0.002 0.000 2.347 39 V HA 0.375 4.498 4.120 0.005 0.000 0.280 39 V C 0.022 176.115 176.094 -0.002 0.000 1.021 39 V CA -0.808 61.492 62.300 0.000 0.000 0.847 39 V CB 1.507 33.329 31.823 -0.002 0.000 0.990 39 V HN 0.555 nan 8.190 nan 0.000 0.444 40 R N 2.951 123.450 120.500 -0.001 0.000 2.254 40 R HA 0.592 4.935 4.340 0.005 0.000 0.318 40 R C -0.712 175.586 176.300 -0.002 0.000 1.031 40 R CA 0.032 56.131 56.100 -0.001 0.000 0.905 40 R CB 0.953 31.253 30.300 -0.000 0.000 1.050 40 R HN 0.780 nan 8.270 nan 0.000 0.456 41 C N 1.128 120.426 119.300 -0.003 0.000 2.397 41 C HA 0.239 4.703 4.460 0.005 0.000 0.343 41 C C 1.926 176.914 174.990 -0.003 0.000 1.188 41 C CA -0.544 58.471 59.018 -0.004 0.000 1.992 41 C CB 1.867 29.604 27.740 -0.005 0.000 2.358 41 C HN 1.028 nan 8.230 nan 0.000 0.518 42 S N 0.813 116.512 115.700 -0.003 0.000 2.440 42 S HA -0.188 4.285 4.470 0.005 0.000 0.238 42 S C 0.943 175.541 174.600 -0.003 0.000 1.010 42 S CA 1.844 60.043 58.200 -0.003 0.000 0.972 42 S CB -0.428 62.770 63.200 -0.002 0.000 0.774 42 S HN 0.914 nan 8.310 nan 0.000 0.501 43 D N 0.313 120.711 120.400 -0.003 0.000 2.319 43 D HA 0.243 4.886 4.640 0.005 0.000 0.230 43 D C 1.393 177.691 176.300 -0.004 0.000 1.094 43 D CA 0.529 54.527 54.000 -0.004 0.000 0.856 43 D CB -0.596 40.201 40.800 -0.004 0.000 0.915 43 D HN 0.560 nan 8.370 nan 0.000 0.517 44 G N -0.362 108.436 108.800 -0.003 0.000 2.199 44 G HA2 -0.283 3.680 3.960 0.005 0.000 0.254 44 G HA3 -0.283 3.680 3.960 0.005 0.000 0.254 44 G C 0.251 175.149 174.900 -0.004 0.000 0.982 44 G CA 0.251 45.350 45.100 -0.003 0.000 0.632 44 G HN 0.390 nan 8.290 nan 0.000 0.529 45 V N 1.102 121.013 119.914 -0.005 0.000 2.686 45 V HA 0.544 4.667 4.120 0.005 0.000 0.295 45 V C 0.515 176.605 176.094 -0.007 0.000 1.055 45 V CA 0.083 62.379 62.300 -0.007 0.000 1.050 45 V CB 1.755 33.573 31.823 -0.009 0.000 0.984 45 V HN 0.431 nan 8.190 nan 0.000 0.482 46 E N 2.374 122.570 120.200 -0.008 0.000 2.222 46 E HA 0.639 4.992 4.350 0.005 0.000 0.267 46 E C -0.327 176.266 176.600 -0.011 0.000 0.884 46 E CA -0.592 55.804 56.400 -0.007 0.000 0.764 46 E CB 2.008 31.706 29.700 -0.003 0.000 1.169 46 E HN 0.825 nan 8.360 nan 0.000 0.413 47 G N 3.922 112.714 108.800 -0.012 0.000 2.416 47 G HA2 0.573 4.536 3.960 0.005 0.000 0.329 47 G HA3 0.573 4.536 3.960 0.005 0.000 0.329 47 G C -0.451 174.441 174.900 -0.013 0.000 1.173 47 G CA -0.751 44.338 45.100 -0.018 0.000 0.929 47 G HN 0.580 nan 8.290 nan 0.000 0.475 48 I N 0.081 120.641 120.570 -0.016 0.000 2.530 48 I HA 0.949 5.123 4.170 0.005 0.000 0.297 48 I C 0.215 176.324 176.117 -0.013 0.000 1.011 48 I CA -1.041 60.254 61.300 -0.008 0.000 1.107 48 I CB 2.427 40.426 38.000 -0.002 0.000 1.285 48 I HN 0.620 nan 8.210 nan 0.000 0.436 49 G N 3.431 112.229 108.800 -0.003 0.000 2.733 49 G HA2 0.612 4.575 3.960 0.005 0.000 0.288 49 G HA3 0.612 4.575 3.960 0.005 0.000 0.288 49 G C -2.029 172.877 174.900 0.010 0.000 1.373 49 G CA -0.568 44.530 45.100 -0.004 0.000 0.895 49 G HN 0.829 nan 8.290 nan 0.000 0.479 50 E N -0.945 119.262 120.200 0.012 0.000 2.308 50 E HA 0.578 4.932 4.350 0.005 0.000 0.275 50 E C -1.243 175.384 176.600 0.045 0.000 0.890 50 E CA -1.040 55.377 56.400 0.029 0.000 0.754 50 E CB 2.079 31.794 29.700 0.025 0.000 1.207 50 E HN 0.744 nan 8.360 nan 0.000 0.426 51 A N 3.414 126.280 122.820 0.076 0.000 2.586 51 A HA 0.489 4.812 4.320 0.005 0.000 0.320 51 A C -0.781 176.907 177.584 0.172 0.000 1.281 51 A CA -0.426 51.693 52.037 0.138 0.000 0.775 51 A CB 1.078 20.166 19.000 0.147 0.000 1.122 51 A HN 0.427 nan 8.150 nan 0.000 0.470 52 T N 0.926 115.595 114.554 0.191 0.000 2.912 52 T HA 0.758 5.111 4.350 0.005 0.000 0.288 52 T C 0.043 174.912 174.700 0.280 0.000 1.030 52 T CA -0.313 61.888 62.100 0.170 0.000 1.020 52 T CB 1.809 70.732 68.868 0.092 0.000 1.056 52 T HN 0.634 nan 8.240 nan 0.000 0.480 53 T N 0.803 115.453 114.554 0.159 0.000 2.804 53 T HA 0.754 5.108 4.350 0.005 0.000 0.290 53 T C -1.489 173.233 174.700 0.037 0.000 1.099 53 T CA -0.697 61.489 62.100 0.144 0.000 1.011 53 T CB 0.787 69.592 68.868 -0.105 0.000 1.291 53 T HN 0.462 nan 8.240 nan 0.000 0.523 54 I N 1.422 121.990 120.570 -0.003 0.000 2.433 54 I HA 0.539 4.713 4.170 0.005 0.000 0.292 54 I C 1.059 177.219 176.117 0.071 0.000 1.001 54 I CA -0.481 60.767 61.300 -0.087 0.000 1.119 54 I CB 1.703 39.462 38.000 -0.403 0.000 1.289 54 I HN 0.983 nan 8.210 nan 0.000 0.438 55 G N 4.247 113.093 108.800 0.077 0.000 2.272 55 G HA2 -0.045 3.918 3.960 0.005 0.000 0.280 55 G HA3 -0.045 3.918 3.960 0.005 0.000 0.280 55 G C 0.873 175.825 174.900 0.087 0.000 1.067 55 G CA 0.535 45.720 45.100 0.142 0.000 0.902 55 G HN 1.486 nan 8.290 nan 0.000 0.500 56 G N -0.653 108.166 108.800 0.031 0.000 3.729 56 G HA2 -0.338 3.626 3.960 0.005 0.000 0.327 56 G HA3 -0.338 3.626 3.960 0.005 0.000 0.327 56 G C 0.978 175.855 174.900 -0.038 0.000 1.293 56 G CA 0.988 46.084 45.100 -0.006 0.000 1.011 56 G HN 1.421 nan 8.290 nan 0.000 0.673 57 L N 1.510 122.708 121.223 -0.042 0.000 3.016 57 L HA 0.548 4.891 4.340 0.005 0.000 0.267 57 L C 2.628 179.429 176.870 -0.114 0.000 1.182 57 L CA 0.767 55.556 54.840 -0.084 0.000 0.997 57 L CB 0.555 42.569 42.059 -0.074 0.000 1.354 57 L HN 0.599 nan 8.230 nan 0.000 0.569 58 A N -0.452 122.317 122.820 -0.085 0.000 2.014 58 A HA -0.079 4.244 4.320 0.005 0.000 0.218 58 A C 1.274 178.604 177.584 -0.422 0.000 1.163 58 A CA 1.330 53.221 52.037 -0.243 0.000 0.652 58 A CB -0.278 18.567 19.000 -0.258 0.000 0.808 58 A HN 0.458 nan 8.150 nan 0.000 0.449 59 Y N -1.048 119.177 120.300 -0.126 0.000 2.660 59 Y HA 0.481 5.034 4.550 0.005 0.000 0.254 59 Y C 0.983 176.806 175.900 -0.128 0.000 1.176 59 Y CA -0.013 58.018 58.100 -0.115 0.000 1.195 59 Y CB 0.596 39.021 38.460 -0.057 0.000 1.190 59 Y HN 0.358 nan 8.280 nan 0.000 0.535 60 G N -2.207 106.519 108.800 -0.124 0.000 2.356 60 G HA2 0.129 4.092 3.960 0.005 0.000 0.294 60 G HA3 0.129 4.092 3.960 0.005 0.000 0.294 60 G C -0.860 173.846 174.900 -0.323 0.000 1.423 60 G CA -0.821 44.142 45.100 -0.229 0.000 0.806 60 G HN -0.040 nan 8.290 nan 0.000 0.527 61 Y N 0.154 120.389 120.300 -0.109 0.000 2.373 61 Y HA 0.156 4.709 4.550 0.004 0.000 0.293 61 Y C 1.525 177.337 175.900 -0.148 0.000 1.129 61 Y CA 1.039 59.081 58.100 -0.096 0.000 1.226 61 Y CB 0.255 38.690 38.460 -0.041 0.000 1.000 61 Y HN 0.381 nan 8.280 nan 0.000 0.549 62 E N 0.418 120.535 120.200 -0.139 0.000 2.191 62 E HA 0.361 4.714 4.350 0.005 0.000 0.278 62 E C -0.284 176.158 176.600 -0.263 0.000 0.972 62 E CA -0.511 55.763 56.400 -0.210 0.000 0.804 62 E CB 1.354 30.893 29.700 -0.268 0.000 1.110 62 E HN 0.086 nan 8.360 nan 0.000 0.394 63 S N 1.775 117.396 115.700 -0.131 0.000 2.704 63 S HA 0.411 4.884 4.470 0.005 0.000 0.305 63 S C -2.170 172.395 174.600 -0.058 0.000 1.107 63 S CA -1.522 56.622 58.200 -0.094 0.000 0.993 63 S CB 1.861 65.031 63.200 -0.049 0.000 1.110 63 S HN 0.127 nan 8.310 nan 0.000 0.534 64 P HA -0.039 nan 4.420 nan 0.000 0.216 64 P C 0.912 178.216 177.300 0.006 0.000 1.153 64 P CA 1.228 64.326 63.100 -0.002 0.000 0.848 64 P CB 0.018 31.722 31.700 0.007 0.000 0.787 65 E N -0.668 119.533 120.200 0.003 0.000 2.051 65 E HA -0.096 4.257 4.350 0.005 0.000 0.192 65 E C 2.292 178.900 176.600 0.013 0.000 0.991 65 E CA 1.625 58.031 56.400 0.009 0.000 0.799 65 E CB -1.431 28.274 29.700 0.007 0.000 0.748 65 E HN 0.205 nan 8.360 nan 0.000 0.449 66 G N 0.452 109.256 108.800 0.006 0.000 2.408 66 G HA2 -0.200 3.763 3.960 0.005 0.000 0.217 66 G HA3 -0.200 3.763 3.960 0.005 0.000 0.217 66 G C 1.633 176.549 174.900 0.027 0.000 1.150 66 G CA 0.578 45.687 45.100 0.016 0.000 0.776 66 G HN 0.149 nan 8.290 nan 0.000 0.542 67 I N 0.497 121.079 120.570 0.020 0.000 2.142 67 I HA -0.176 3.997 4.170 0.005 0.000 0.240 67 I C 2.701 178.845 176.117 0.046 0.000 1.078 67 I CA 1.713 63.037 61.300 0.040 0.000 1.343 67 I CB -0.150 37.876 38.000 0.044 0.000 1.046 67 I HN 0.172 nan 8.210 nan 0.000 0.405 68 K N 1.311 121.733 120.400 0.036 0.000 2.057 68 K HA -0.190 4.134 4.320 0.005 0.000 0.207 68 K C 2.186 178.805 176.600 0.031 0.000 1.049 68 K CA 1.545 57.852 56.287 0.032 0.000 0.931 68 K CB -0.172 32.343 32.500 0.026 0.000 0.714 68 K HN 0.279 nan 8.250 nan 0.000 0.440 69 A N 1.595 124.434 122.820 0.033 0.000 1.908 69 A HA -0.198 4.126 4.320 0.005 0.000 0.218 69 A C 1.857 179.476 177.584 0.058 0.000 1.181 69 A CA 1.864 53.921 52.037 0.035 0.000 0.627 69 A CB -0.665 18.358 19.000 0.039 0.000 0.818 69 A HN 0.428 nan 8.150 nan 0.000 0.445 70 N N -0.258 118.498 118.700 0.094 0.000 2.270 70 N HA -0.010 4.733 4.740 0.005 0.000 0.181 70 N C 1.683 177.267 175.510 0.123 0.000 1.016 70 N CA 1.171 54.323 53.050 0.170 0.000 0.870 70 N CB -0.282 38.287 38.487 0.137 0.000 0.979 70 N HN 0.559 nan 8.380 nan 0.000 0.431 71 I N 1.251 121.864 120.570 0.071 0.000 2.202 71 I HA -0.219 3.955 4.170 0.005 0.000 0.242 71 I C 1.471 177.601 176.117 0.021 0.000 1.091 71 I CA 1.085 62.415 61.300 0.050 0.000 1.368 71 I CB -0.104 37.922 38.000 0.042 0.000 1.058 71 I HN -0.049 nan 8.210 nan 0.000 0.410 72 D N 0.972 121.373 120.400 0.003 0.000 2.117 72 D HA -0.113 4.530 4.640 0.005 0.000 0.198 72 D C 2.133 178.387 176.300 -0.076 0.000 0.982 72 D CA 1.581 55.565 54.000 -0.026 0.000 0.828 72 D CB -0.074 40.713 40.800 -0.023 0.000 0.967 72 D HN 0.347 nan 8.370 nan 0.000 0.464 73 A N -0.351 122.385 122.820 -0.140 0.000 1.984 73 A HA -0.039 4.284 4.320 0.005 0.000 0.214 73 A C 1.640 178.907 177.584 -0.530 0.000 1.173 73 A CA 0.840 52.663 52.037 -0.357 0.000 0.673 73 A CB -0.080 18.624 19.000 -0.494 0.000 0.830 73 A HN 0.240 nan 8.150 nan 0.000 0.453 74 H N -1.265 117.809 119.070 0.006 0.000 2.258 74 H HA 0.262 4.821 4.556 0.006 0.000 0.250 74 H C 1.997 177.329 175.328 0.006 0.000 0.908 74 H CA 0.613 56.664 56.048 0.005 0.000 1.096 74 H CB -0.248 29.517 29.762 0.004 0.000 1.422 74 H HN 0.281 nan 8.280 nan 0.000 0.469 75 L N 0.849 122.155 121.223 0.139 0.000 2.027 75 L HA -0.041 4.302 4.340 0.005 0.000 0.206 75 L C 2.870 179.767 176.870 0.045 0.000 1.074 75 L CA 1.213 56.101 54.840 0.079 0.000 0.745 75 L CB -0.614 41.486 42.059 0.069 0.000 0.898 75 L HN 0.176 nan 8.230 nan 0.000 0.433 76 A N 0.643 123.481 122.820 0.031 0.000 1.858 76 A HA -0.106 4.217 4.320 0.005 0.000 0.216 76 A C 0.024 177.614 177.584 0.010 0.000 1.190 76 A CA 1.572 53.618 52.037 0.015 0.000 0.617 76 A CB -1.838 17.166 19.000 0.007 0.000 0.827 76 A HN 0.270 nan 8.150 nan 0.000 0.443 77 P HA -0.111 nan 4.420 nan 0.000 0.219 77 P C 1.400 178.706 177.300 0.010 0.000 1.146 77 P CA 1.685 64.785 63.100 -0.000 0.000 0.808 77 P CB -0.051 31.642 31.700 -0.013 0.000 0.779 78 A N -1.413 121.419 122.820 0.020 0.000 2.119 78 A HA -0.019 4.304 4.320 0.005 0.000 0.216 78 A C 1.942 179.535 177.584 0.014 0.000 1.152 78 A CA 0.982 53.031 52.037 0.021 0.000 0.708 78 A CB -1.069 17.950 19.000 0.031 0.000 0.805 78 A HN 0.163 nan 8.150 nan 0.000 0.460 79 L N -0.225 121.006 121.223 0.012 0.000 2.470 79 L HA 0.181 4.524 4.340 0.005 0.000 0.219 79 L C -0.045 176.828 176.870 0.005 0.000 1.071 79 L CA -0.353 54.493 54.840 0.009 0.000 0.850 79 L CB -0.134 41.930 42.059 0.009 0.000 1.040 79 L HN 0.153 nan 8.230 nan 0.000 0.475 80 I N 1.753 122.325 120.570 0.004 0.000 2.741 80 I HA 0.015 4.189 4.170 0.005 0.000 0.288 80 I C 1.452 177.570 176.117 0.001 0.000 1.192 80 I CA 1.329 62.630 61.300 0.002 0.000 1.426 80 I CB -0.393 37.607 38.000 0.000 0.000 1.367 80 I HN 0.431 nan 8.210 nan 0.000 0.563 81 G N 5.482 114.282 108.800 0.001 0.000 2.232 81 G HA2 -0.204 3.760 3.960 0.005 0.000 0.226 81 G HA3 -0.204 3.760 3.960 0.005 0.000 0.226 81 G C 0.271 175.172 174.900 0.000 0.000 0.996 81 G CA -0.366 44.734 45.100 0.000 0.000 0.626 81 G HN 0.457 nan 8.290 nan 0.000 0.509 82 L N 1.232 122.456 121.223 0.001 0.000 2.456 82 L HA 0.683 5.026 4.340 0.005 0.000 0.257 82 L C 1.330 178.200 176.870 -0.001 0.000 1.162 82 L CA -0.428 54.412 54.840 0.001 0.000 0.808 82 L CB 0.967 43.027 42.059 0.001 0.000 1.136 82 L HN 0.319 nan 8.230 nan 0.000 0.466 83 A N 0.932 123.751 122.820 -0.001 0.000 2.491 83 A HA 0.377 4.700 4.320 0.005 0.000 0.261 83 A C 0.989 178.571 177.584 -0.003 0.000 1.101 83 A CA 0.311 52.346 52.037 -0.002 0.000 0.772 83 A CB 0.496 19.495 19.000 -0.002 0.000 1.043 83 A HN 0.918 nan 8.150 nan 0.000 0.501 84 A N 2.368 125.185 122.820 -0.004 0.000 2.067 84 A HA -0.071 4.252 4.320 0.005 0.000 0.219 84 A C 1.364 178.944 177.584 -0.007 0.000 1.158 84 A CA 1.694 53.727 52.037 -0.006 0.000 0.661 84 A CB -0.549 18.448 19.000 -0.006 0.000 0.801 84 A HN 0.926 nan 8.150 nan 0.000 0.452 85 D N -1.461 118.935 120.400 -0.007 0.000 2.355 85 D HA -0.040 4.603 4.640 0.005 0.000 0.218 85 D C 0.645 176.941 176.300 -0.007 0.000 1.004 85 D CA 0.254 54.249 54.000 -0.008 0.000 0.880 85 D CB -0.153 40.643 40.800 -0.007 0.000 0.911 85 D HN 0.206 nan 8.370 nan 0.000 0.528 86 N N 0.915 119.612 118.700 -0.005 0.000 3.091 86 N HA 0.173 4.916 4.740 0.005 0.000 0.255 86 N C 0.528 176.035 175.510 -0.005 0.000 1.204 86 N CA -0.293 52.754 53.050 -0.005 0.000 0.990 86 N CB 0.152 38.637 38.487 -0.003 0.000 1.260 86 N HN 0.179 nan 8.380 nan 0.000 0.502 87 I N 0.632 121.198 120.570 -0.006 0.000 2.286 87 I HA -0.272 3.901 4.170 0.005 0.000 0.248 87 I C 2.059 178.174 176.117 -0.005 0.000 1.115 87 I CA 0.712 62.008 61.300 -0.007 0.000 1.392 87 I CB -0.097 37.897 38.000 -0.011 0.000 1.065 87 I HN 0.373 nan 8.210 nan 0.000 0.418 88 N N 1.399 120.096 118.700 -0.004 0.000 2.058 88 N HA -0.165 4.578 4.740 0.005 0.000 0.191 88 N C 1.869 177.378 175.510 -0.002 0.000 1.037 88 N CA 1.928 54.977 53.050 -0.003 0.000 0.848 88 N CB -0.176 38.310 38.487 -0.002 0.000 1.021 88 N HN 0.309 nan 8.380 nan 0.000 0.422 89 A N 0.226 123.045 122.820 -0.002 0.000 1.902 89 A HA 0.031 4.354 4.320 0.005 0.000 0.217 89 A C 2.342 179.926 177.584 -0.000 0.000 1.181 89 A CA 2.027 54.063 52.037 -0.001 0.000 0.623 89 A CB -1.241 17.759 19.000 -0.001 0.000 0.818 89 A HN 0.461 nan 8.150 nan 0.000 0.443 90 A N -0.936 121.883 122.820 -0.000 0.000 1.877 90 A HA -0.099 4.224 4.320 0.005 0.000 0.216 90 A C 2.119 179.705 177.584 0.002 0.000 1.186 90 A CA 2.007 54.044 52.037 0.001 0.000 0.620 90 A CB -0.443 18.558 19.000 0.000 0.000 0.822 90 A HN 0.417 nan 8.150 nan 0.000 0.443 91 M N -0.550 119.050 119.600 0.001 0.000 2.254 91 M HA 0.088 4.571 4.480 0.005 0.000 0.265 91 M C 2.003 178.303 176.300 0.001 0.000 1.066 91 M CA 0.939 56.240 55.300 0.002 0.000 1.123 91 M CB -1.338 31.262 32.600 -0.001 0.000 1.388 91 M HN 0.358 nan 8.290 nan 0.000 0.425 92 L N -0.443 120.780 121.223 -0.000 0.000 2.156 92 L HA -0.155 4.188 4.340 0.005 0.000 0.208 92 L C 2.563 179.432 176.870 -0.001 0.000 1.095 92 L CA 0.892 55.732 54.840 -0.001 0.000 0.770 92 L CB -0.461 41.596 42.059 -0.003 0.000 0.914 92 L HN 0.306 nan 8.230 nan 0.000 0.439 93 K N 0.587 120.988 120.400 0.002 0.000 2.097 93 K HA -0.151 4.172 4.320 0.005 0.000 0.205 93 K C 2.088 178.691 176.600 0.005 0.000 1.050 93 K CA 1.114 57.403 56.287 0.003 0.000 0.938 93 K CB 0.030 32.533 32.500 0.005 0.000 0.718 93 K HN 0.270 nan 8.250 nan 0.000 0.442 94 L N 0.792 122.019 121.223 0.007 0.000 2.141 94 L HA -0.175 4.168 4.340 0.005 0.000 0.209 94 L C 1.777 178.649 176.870 0.003 0.000 1.094 94 L CA 0.938 55.784 54.840 0.010 0.000 0.763 94 L CB -0.357 41.710 42.059 0.013 0.000 0.908 94 L HN 0.182 nan 8.230 nan 0.000 0.437 95 D N -0.035 120.365 120.400 -0.000 0.000 2.224 95 D HA -0.152 4.491 4.640 0.005 0.000 0.205 95 D C 2.124 178.418 176.300 -0.010 0.000 0.965 95 D CA 0.918 54.915 54.000 -0.006 0.000 0.852 95 D CB 0.109 40.905 40.800 -0.006 0.000 0.947 95 D HN 0.191 nan 8.370 nan 0.000 0.494 96 K N 0.319 120.715 120.400 -0.007 0.000 2.155 96 K HA -0.076 4.247 4.320 0.005 0.000 0.203 96 K C 1.696 178.290 176.600 -0.010 0.000 1.052 96 K CA 0.629 56.911 56.287 -0.008 0.000 0.948 96 K CB 0.186 32.684 32.500 -0.005 0.000 0.728 96 K HN 0.152 nan 8.250 nan 0.000 0.448 97 L N -3.025 118.193 121.223 -0.007 0.000 2.693 97 L HA 0.446 4.789 4.340 0.005 0.000 0.235 97 L C 0.082 176.936 176.870 -0.027 0.000 1.127 97 L CA -0.271 54.563 54.840 -0.010 0.000 0.914 97 L CB 0.963 43.026 42.059 0.006 0.000 1.193 97 L HN -0.158 nan 8.230 nan 0.000 0.502 98 A N 0.247 123.052 122.820 -0.025 0.000 2.414 98 A HA 0.686 5.009 4.320 0.005 0.000 0.286 98 A C -0.624 176.937 177.584 -0.038 0.000 1.073 98 A CA -0.630 51.384 52.037 -0.040 0.000 0.727 98 A CB 1.089 20.075 19.000 -0.023 0.000 1.215 98 A HN -0.014 nan 8.150 nan 0.000 0.430 99 K N 1.490 121.858 120.400 -0.054 0.000 2.249 99 K HA 0.556 4.879 4.320 0.005 0.000 0.280 99 K C 1.143 177.705 176.600 -0.064 0.000 1.033 99 K CA 1.072 57.325 56.287 -0.057 0.000 0.946 99 K CB 1.213 33.672 32.500 -0.067 0.000 1.005 99 K HN 1.662 nan 8.250 nan 0.000 0.469 100 G N 3.199 111.964 108.800 -0.058 0.000 2.574 100 G HA2 -0.377 3.586 3.960 0.005 0.000 0.286 100 G HA3 -0.377 3.586 3.960 0.005 0.000 0.286 100 G C -0.234 174.664 174.900 -0.004 0.000 1.212 100 G CA 0.191 45.257 45.100 -0.056 0.000 0.979 100 G HN 0.832 nan 8.290 nan 0.000 0.557 101 N N -0.037 118.677 118.700 0.023 0.000 2.714 101 N HA -0.240 4.503 4.740 0.005 0.000 0.253 101 N C 1.488 177.068 175.510 0.117 0.000 1.024 101 N CA 1.870 54.967 53.050 0.079 0.000 0.726 101 N CB -1.305 37.207 38.487 0.042 0.000 0.908 101 N HN 1.511 nan 8.380 nan 0.000 0.542 102 T N -3.508 111.145 114.554 0.164 0.000 2.857 102 T HA -0.056 4.297 4.350 0.005 0.000 0.266 102 T C 1.587 176.352 174.700 0.108 0.000 1.048 102 T CA 0.772 62.940 62.100 0.113 0.000 1.139 102 T CB -0.255 68.656 68.868 0.073 0.000 0.874 102 T HN 0.206 nan 8.240 nan 0.000 0.455 103 F N 2.557 122.531 119.950 0.040 0.000 2.102 103 F HA 0.188 4.718 4.527 0.005 0.000 0.298 103 F C 3.039 178.855 175.800 0.028 0.000 1.105 103 F CA 0.834 58.856 58.000 0.037 0.000 1.239 103 F CB -1.135 37.893 39.000 0.046 0.000 0.991 103 F HN 0.267 nan 8.300 nan 0.000 0.474 104 A N -0.136 122.824 122.820 0.234 0.000 1.902 104 A HA -0.217 4.106 4.320 0.005 0.000 0.217 104 A C 2.208 179.841 177.584 0.083 0.000 1.181 104 A CA 1.819 53.935 52.037 0.132 0.000 0.623 104 A CB -0.686 18.378 19.000 0.107 0.000 0.818 104 A HN 0.345 nan 8.150 nan 0.000 0.443 105 K N -0.496 119.947 120.400 0.071 0.000 2.097 105 K HA -0.096 4.227 4.320 0.005 0.000 0.206 105 K C 2.427 179.038 176.600 0.017 0.000 1.049 105 K CA 1.270 57.580 56.287 0.037 0.000 0.933 105 K CB -0.190 32.328 32.500 0.029 0.000 0.717 105 K HN 0.450 nan 8.250 nan 0.000 0.442 106 S N 0.157 115.862 115.700 0.009 0.000 2.368 106 S HA -0.111 4.362 4.470 0.005 0.000 0.225 106 S C 2.054 176.647 174.600 -0.011 0.000 1.030 106 S CA 1.529 59.715 58.200 -0.025 0.000 0.999 106 S CB -0.440 62.714 63.200 -0.077 0.000 0.844 106 S HN 0.484 nan 8.310 nan 0.000 0.459 107 G N 1.331 110.141 108.800 0.017 0.000 2.404 107 G HA2 -0.096 3.868 3.960 0.005 0.000 0.215 107 G HA3 -0.096 3.868 3.960 0.005 0.000 0.215 107 G C 1.418 176.323 174.900 0.009 0.000 1.174 107 G CA 0.874 45.985 45.100 0.019 0.000 0.780 107 G HN 0.560 nan 8.290 nan 0.000 0.537 108 I N 0.379 120.958 120.570 0.016 0.000 2.179 108 I HA -0.158 4.015 4.170 0.005 0.000 0.242 108 I C 2.675 178.790 176.117 -0.003 0.000 1.088 108 I CA 1.531 62.837 61.300 0.010 0.000 1.357 108 I CB -0.176 37.834 38.000 0.017 0.000 1.051 108 I HN 0.282 nan 8.210 nan 0.000 0.409 109 E N 0.637 120.833 120.200 -0.007 0.000 2.106 109 E HA -0.189 4.164 4.350 0.005 0.000 0.192 109 E C 2.247 178.829 176.600 -0.029 0.000 0.984 109 E CA 1.471 57.860 56.400 -0.017 0.000 0.806 109 E CB 0.132 29.820 29.700 -0.018 0.000 0.750 109 E HN 0.383 nan 8.360 nan 0.000 0.458 110 S N 0.522 116.202 115.700 -0.033 0.000 2.368 110 S HA -0.175 4.298 4.470 0.005 0.000 0.225 110 S C 2.031 176.604 174.600 -0.045 0.000 1.030 110 S CA 1.011 59.182 58.200 -0.047 0.000 0.999 110 S CB -0.233 62.940 63.200 -0.045 0.000 0.844 110 S HN 0.468 nan 8.310 nan 0.000 0.459 111 A N 1.529 124.333 122.820 -0.028 0.000 1.898 111 A HA 0.024 4.347 4.320 0.005 0.000 0.216 111 A C 2.126 179.694 177.584 -0.027 0.000 1.181 111 A CA 1.100 53.123 52.037 -0.024 0.000 0.620 111 A CB -0.724 18.270 19.000 -0.010 0.000 0.819 111 A HN 0.446 nan 8.150 nan 0.000 0.442 112 L N -0.813 120.396 121.223 -0.024 0.000 2.083 112 L HA -0.149 4.194 4.340 0.005 0.000 0.209 112 L C 2.535 179.385 176.870 -0.033 0.000 1.083 112 L CA 0.913 55.740 54.840 -0.023 0.000 0.752 112 L CB -0.498 41.551 42.059 -0.017 0.000 0.899 112 L HN 0.361 nan 8.230 nan 0.000 0.433 113 L N -0.399 120.798 121.223 -0.043 0.000 2.093 113 L HA -0.220 4.123 4.340 0.005 0.000 0.208 113 L C 2.234 179.059 176.870 -0.075 0.000 1.085 113 L CA 1.124 55.929 54.840 -0.058 0.000 0.755 113 L CB -0.398 41.619 42.059 -0.069 0.000 0.904 113 L HN 0.285 nan 8.230 nan 0.000 0.435 114 D N 0.040 120.393 120.400 -0.078 0.000 2.084 114 D HA -0.191 4.452 4.640 0.005 0.000 0.194 114 D C 2.174 178.438 176.300 -0.059 0.000 0.990 114 D CA 1.536 55.485 54.000 -0.085 0.000 0.826 114 D CB 0.096 40.854 40.800 -0.070 0.000 0.971 114 D HN 0.218 nan 8.370 nan 0.000 0.453 115 A N -0.092 122.703 122.820 -0.042 0.000 1.908 115 A HA -0.232 4.091 4.320 0.005 0.000 0.218 115 A C 2.219 179.786 177.584 -0.029 0.000 1.181 115 A CA 2.142 54.162 52.037 -0.030 0.000 0.627 115 A CB -0.996 17.991 19.000 -0.021 0.000 0.818 115 A HN 0.352 nan 8.150 nan 0.000 0.445 116 Q N -0.189 119.592 119.800 -0.032 0.000 2.170 116 Q HA -0.023 4.320 4.340 0.005 0.000 0.203 116 Q C 1.844 177.826 176.000 -0.030 0.000 0.976 116 Q CA 1.958 57.744 55.803 -0.027 0.000 0.858 116 Q CB -0.796 27.927 28.738 -0.026 0.000 0.907 116 Q HN 0.517 nan 8.270 nan 0.000 0.433 117 G N -0.090 108.684 108.800 -0.044 0.000 2.403 117 G HA2 -0.186 3.777 3.960 0.005 0.000 0.216 117 G HA3 -0.186 3.777 3.960 0.005 0.000 0.216 117 G C 1.247 176.126 174.900 -0.034 0.000 1.154 117 G CA 0.531 45.603 45.100 -0.045 0.000 0.784 117 G HN 0.319 nan 8.290 nan 0.000 0.538 118 K N -0.086 120.294 120.400 -0.034 0.000 2.097 118 K HA 0.022 4.345 4.320 0.005 0.000 0.205 118 K C 2.504 179.094 176.600 -0.016 0.000 1.050 118 K CA 0.772 57.045 56.287 -0.023 0.000 0.938 118 K CB -0.099 32.387 32.500 -0.022 0.000 0.718 118 K HN 0.179 nan 8.250 nan 0.000 0.442 119 R N 1.152 121.642 120.500 -0.017 0.000 2.073 119 R HA -0.085 4.258 4.340 0.005 0.000 0.234 119 R C 1.761 178.055 176.300 -0.010 0.000 1.134 119 R CA 1.315 57.407 56.100 -0.013 0.000 0.952 119 R CB -0.076 30.216 30.300 -0.013 0.000 0.850 119 R HN 0.137 nan 8.270 nan 0.000 0.433 120 L N -0.458 120.757 121.223 -0.012 0.000 2.592 120 L HA 0.261 4.604 4.340 0.005 0.000 0.227 120 L C 1.000 177.865 176.870 -0.007 0.000 1.127 120 L CA 0.395 55.230 54.840 -0.009 0.000 0.884 120 L CB 0.438 42.491 42.059 -0.009 0.000 1.065 120 L HN 0.620 nan 8.230 nan 0.000 0.457 121 G N 1.157 109.952 108.800 -0.009 0.000 2.176 121 G HA2 -0.268 3.695 3.960 0.005 0.000 0.252 121 G HA3 -0.268 3.695 3.960 0.005 0.000 0.252 121 G C -0.059 174.839 174.900 -0.003 0.000 1.024 121 G CA 0.110 45.207 45.100 -0.006 0.000 0.755 121 G HN 0.256 nan 8.290 nan 0.000 0.507 122 L N -0.649 120.570 121.223 -0.007 0.000 2.342 122 L HA 0.567 4.910 4.340 0.005 0.000 0.271 122 L C -2.263 174.603 176.870 -0.006 0.000 1.008 122 L CA -2.666 52.173 54.840 -0.001 0.000 0.818 122 L CB 2.261 44.319 42.059 -0.001 0.000 1.296 122 L HN -0.167 nan 8.230 nan 0.000 0.427 123 P HA 0.085 nan 4.420 nan 0.000 0.274 123 P C 0.825 178.123 177.300 -0.005 0.000 1.231 123 P CA -0.411 62.710 63.100 0.035 0.000 0.790 123 P CB 1.028 32.812 31.700 0.141 0.000 0.951 124 V N 1.723 121.535 119.914 -0.170 0.000 2.392 124 V HA -0.271 3.853 4.120 0.005 0.000 0.249 124 V C 2.206 178.318 176.094 0.030 0.000 1.059 124 V CA 2.783 64.990 62.300 -0.155 0.000 1.051 124 V CB -1.468 30.136 31.823 -0.364 0.000 0.658 124 V HN 0.711 nan 8.190 nan 0.000 0.455 125 S N -0.031 115.815 115.700 0.243 0.000 2.400 125 S HA -0.220 4.254 4.470 0.005 0.000 0.232 125 S C 1.740 176.386 174.600 0.077 0.000 1.025 125 S CA 1.394 59.694 58.200 0.165 0.000 0.993 125 S CB -0.363 62.923 63.200 0.144 0.000 0.808 125 S HN 0.652 nan 8.310 nan 0.000 0.478 126 E N 1.665 121.905 120.200 0.067 0.000 2.158 126 E HA 0.152 4.505 4.350 0.005 0.000 0.191 126 E C 2.133 178.745 176.600 0.020 0.000 0.982 126 E CA 0.453 56.874 56.400 0.035 0.000 0.823 126 E CB -0.585 29.133 29.700 0.030 0.000 0.766 126 E HN 0.521 nan 8.360 nan 0.000 0.468 127 L N 0.370 121.600 121.223 0.012 0.000 2.131 127 L HA -0.096 4.247 4.340 0.005 0.000 0.210 127 L C 2.110 178.982 176.870 0.004 0.000 1.092 127 L CA 0.736 55.576 54.840 -0.001 0.000 0.759 127 L CB -0.252 41.797 42.059 -0.017 0.000 0.903 127 L HN 0.074 nan 8.230 nan 0.000 0.435 128 L N -0.976 120.255 121.223 0.013 0.000 2.627 128 L HA 0.126 4.469 4.340 0.005 0.000 0.233 128 L C 1.445 178.327 176.870 0.021 0.000 1.144 128 L CA 0.631 55.481 54.840 0.016 0.000 0.892 128 L CB -0.184 41.888 42.059 0.021 0.000 1.039 128 L HN 0.468 nan 8.230 nan 0.000 0.442 129 G N -0.775 108.037 108.800 0.019 0.000 2.699 129 G HA2 -0.009 3.954 3.960 0.005 0.000 0.198 129 G HA3 -0.009 3.954 3.960 0.005 0.000 0.198 129 G C 0.459 175.371 174.900 0.019 0.000 1.033 129 G CA -0.336 44.775 45.100 0.018 0.000 0.728 129 G HN 0.697 nan 8.290 nan 0.000 0.484 130 G N 0.068 108.882 108.800 0.023 0.000 2.634 130 G HA2 0.535 4.499 3.960 0.005 0.000 0.568 130 G HA3 0.535 4.499 3.960 0.005 0.000 0.568 130 G C -0.373 174.539 174.900 0.020 0.000 1.495 130 G CA 0.295 45.407 45.100 0.021 0.000 0.903 130 G HN 1.278 nan 8.290 nan 0.000 0.646 131 R N 0.741 121.251 120.500 0.017 0.000 2.490 131 R HA 0.603 4.946 4.340 0.005 0.000 0.278 131 R C 0.858 177.160 176.300 0.004 0.000 1.069 131 R CA 0.016 56.120 56.100 0.008 0.000 1.080 131 R CB 1.444 31.739 30.300 -0.008 0.000 1.030 131 R HN 1.202 nan 8.270 nan 0.000 0.491 132 V N -1.365 118.551 119.914 0.003 0.000 3.528 132 V HA 0.270 4.393 4.120 0.005 0.000 0.294 132 V C 0.307 176.397 176.094 -0.007 0.000 1.404 132 V CA -0.090 62.210 62.300 -0.000 0.000 1.065 132 V CB -1.110 30.714 31.823 0.002 0.000 0.904 132 V HN 0.934 nan 8.190 nan 0.000 0.435 133 R N -1.322 119.171 120.500 -0.012 0.000 2.716 133 R HA 0.549 4.892 4.340 0.005 0.000 0.271 133 R C -1.233 175.048 176.300 -0.033 0.000 1.028 133 R CA -0.317 55.771 56.100 -0.020 0.000 0.883 133 R CB 1.173 31.459 30.300 -0.023 0.000 1.250 133 R HN 0.004 nan 8.270 nan 0.000 0.465 134 D N -0.026 120.353 120.400 -0.034 0.000 2.441 134 D HA 0.115 4.758 4.640 0.005 0.000 0.210 134 D C -0.509 175.745 176.300 -0.077 0.000 1.102 134 D CA 0.361 54.335 54.000 -0.043 0.000 0.840 134 D CB 0.954 41.752 40.800 -0.004 0.000 0.990 134 D HN 0.574 nan 8.370 nan 0.000 0.505 135 S N -0.480 115.152 115.700 -0.112 0.000 2.588 135 S HA 0.721 5.195 4.470 0.005 0.000 0.275 135 S C -1.091 173.407 174.600 -0.170 0.000 1.130 135 S CA -0.986 57.071 58.200 -0.238 0.000 0.855 135 S CB 1.848 64.774 63.200 -0.456 0.000 1.116 135 S HN -0.005 nan 8.310 nan 0.000 0.472 136 L N 0.997 122.112 121.223 -0.181 0.000 2.381 136 L HA 0.610 4.953 4.340 0.005 0.000 0.268 136 L C -0.400 176.437 176.870 -0.056 0.000 0.997 136 L CA -0.802 53.990 54.840 -0.079 0.000 0.818 136 L CB 2.031 44.080 42.059 -0.017 0.000 1.310 136 L HN 0.814 nan 8.230 nan 0.000 0.416 137 E N 1.957 122.152 120.200 -0.009 0.000 2.344 137 E HA 0.326 4.679 4.350 0.005 0.000 0.270 137 E C -0.957 175.700 176.600 0.095 0.000 1.021 137 E CA -0.354 56.072 56.400 0.044 0.000 0.887 137 E CB 1.036 30.756 29.700 0.034 0.000 0.997 137 E HN 0.322 nan 8.360 nan 0.000 0.429 138 V N 2.001 122.023 119.914 0.180 0.000 2.459 138 V HA 0.883 5.006 4.120 0.005 0.000 0.295 138 V C -0.042 176.240 176.094 0.314 0.000 1.029 138 V CA -0.738 61.724 62.300 0.271 0.000 0.874 138 V CB 1.315 33.397 31.823 0.431 0.000 0.985 138 V HN 0.765 nan 8.190 nan 0.000 0.438 139 A N 5.532 128.476 122.820 0.207 0.000 2.312 139 A HA 0.691 5.014 4.320 0.005 0.000 0.328 139 A C -0.688 176.926 177.584 0.049 0.000 1.158 139 A CA -0.721 51.382 52.037 0.110 0.000 0.821 139 A CB 1.161 20.255 19.000 0.158 0.000 1.170 139 A HN 1.160 nan 8.150 nan 0.000 0.490 140 W N 2.203 123.298 121.300 -0.342 0.000 2.573 140 W HA 0.429 5.092 4.660 0.006 0.000 0.326 140 W C -1.174 175.346 176.519 0.001 0.000 1.049 140 W CA -0.355 56.779 57.345 -0.352 0.000 1.220 140 W CB 1.911 31.017 29.460 -0.589 0.000 1.373 140 W HN 0.603 nan 8.180 nan 0.000 0.507 141 T N 6.756 120.918 114.554 -0.654 0.000 2.743 141 T HA 0.327 4.680 4.350 0.005 0.000 0.293 141 T C 0.104 174.488 174.700 -0.527 0.000 0.945 141 T CA -0.317 61.519 62.100 -0.441 0.000 1.030 141 T CB 0.603 69.227 68.868 -0.406 0.000 0.912 141 T HN 0.206 nan 8.240 nan 0.000 0.483 142 L N 2.987 124.126 121.223 -0.141 0.000 2.278 142 L HA 0.518 4.861 4.340 0.005 0.000 0.287 142 L C 0.954 177.801 176.870 -0.039 0.000 1.072 142 L CA -0.472 54.349 54.840 -0.032 0.000 0.819 142 L CB 0.734 42.821 42.059 0.047 0.000 1.176 142 L HN 0.792 nan 8.230 nan 0.000 0.435 143 A N 1.046 123.836 122.820 -0.051 0.000 2.603 143 A HA 0.092 4.415 4.320 0.005 0.000 0.277 143 A C 1.686 179.266 177.584 -0.007 0.000 1.158 143 A CA 0.322 52.336 52.037 -0.038 0.000 0.962 143 A CB 0.117 19.060 19.000 -0.094 0.000 1.189 143 A HN 0.722 nan 8.150 nan 0.000 0.552 144 S N -1.042 114.673 115.700 0.025 0.000 2.442 144 S HA 0.198 4.671 4.470 0.005 0.000 0.236 144 S C 1.800 176.397 174.600 -0.005 0.000 1.007 144 S CA 1.633 59.846 58.200 0.022 0.000 0.965 144 S CB -0.368 62.860 63.200 0.046 0.000 0.773 144 S HN 1.950 nan 8.310 nan 0.000 0.504 145 G N 0.875 109.660 108.800 -0.025 0.000 2.284 145 G HA2 -0.287 3.676 3.960 0.005 0.000 0.247 145 G HA3 -0.287 3.676 3.960 0.005 0.000 0.247 145 G C -0.162 174.662 174.900 -0.128 0.000 1.012 145 G CA 0.275 45.309 45.100 -0.110 0.000 0.618 145 G HN 0.764 nan 8.290 nan 0.000 0.521 146 D N 0.387 120.774 120.400 -0.022 0.000 2.274 146 D HA 0.630 5.273 4.640 0.005 0.000 0.239 146 D C 1.740 178.102 176.300 0.102 0.000 1.104 146 D CA 0.553 54.561 54.000 0.012 0.000 0.840 146 D CB 0.979 41.789 40.800 0.016 0.000 1.100 146 D HN 0.025 nan 8.370 nan 0.000 0.477 147 T N 2.578 117.230 114.554 0.163 0.000 2.635 147 T HA -0.213 4.140 4.350 0.005 0.000 0.267 147 T C 1.876 176.632 174.700 0.093 0.000 1.040 147 T CA 1.620 63.858 62.100 0.231 0.000 1.156 147 T CB -0.334 68.675 68.868 0.234 0.000 0.863 147 T HN 0.555 nan 8.240 nan 0.000 0.430 148 A N 1.294 124.151 122.820 0.061 0.000 1.902 148 A HA -0.081 4.242 4.320 0.005 0.000 0.217 148 A C 2.364 179.965 177.584 0.028 0.000 1.181 148 A CA 1.708 53.764 52.037 0.032 0.000 0.623 148 A CB -0.586 18.429 19.000 0.025 0.000 0.818 148 A HN 0.384 nan 8.150 nan 0.000 0.443 149 R N -0.569 119.954 120.500 0.039 0.000 2.115 149 R HA -0.111 4.232 4.340 0.005 0.000 0.230 149 R C 1.367 177.694 176.300 0.045 0.000 1.111 149 R CA 1.483 57.606 56.100 0.039 0.000 0.976 149 R CB -0.146 30.178 30.300 0.041 0.000 0.870 149 R HN 0.486 nan 8.270 nan 0.000 0.445 150 D N 0.116 120.548 120.400 0.054 0.000 2.123 150 D HA -0.106 4.537 4.640 0.005 0.000 0.200 150 D C 1.815 178.091 176.300 -0.040 0.000 0.976 150 D CA 1.086 55.106 54.000 0.034 0.000 0.831 150 D CB -0.016 40.824 40.800 0.068 0.000 0.974 150 D HN 0.256 nan 8.370 nan 0.000 0.469 151 I N 1.200 121.746 120.570 -0.040 0.000 2.286 151 I HA -0.227 3.946 4.170 0.005 0.000 0.248 151 I C 2.453 178.540 176.117 -0.050 0.000 1.115 151 I CA 0.859 62.117 61.300 -0.071 0.000 1.392 151 I CB -0.128 37.847 38.000 -0.040 0.000 1.065 151 I HN -0.089 nan 8.210 nan 0.000 0.418 152 A N 0.237 123.051 122.820 -0.010 0.000 1.898 152 A HA -0.247 4.076 4.320 0.005 0.000 0.216 152 A C 2.306 179.915 177.584 0.041 0.000 1.181 152 A CA 1.778 53.823 52.037 0.013 0.000 0.620 152 A CB -0.585 18.423 19.000 0.014 0.000 0.819 152 A HN 0.446 nan 8.150 nan 0.000 0.442 153 E N -0.266 119.963 120.200 0.048 0.000 2.077 153 E HA -0.119 4.234 4.350 0.005 0.000 0.193 153 E C 2.118 178.752 176.600 0.056 0.000 0.989 153 E CA 0.992 57.461 56.400 0.114 0.000 0.800 153 E CB -0.223 29.580 29.700 0.171 0.000 0.746 153 E HN 0.558 nan 8.360 nan 0.000 0.452 154 A N 0.982 123.713 122.820 -0.147 0.000 1.930 154 A HA -0.134 4.189 4.320 0.005 0.000 0.217 154 A C 2.094 179.608 177.584 -0.115 0.000 1.175 154 A CA 1.173 52.914 52.037 -0.493 0.000 0.627 154 A CB -0.334 18.102 19.000 -0.940 0.000 0.815 154 A HN 0.139 nan 8.150 nan 0.000 0.443 155 R N -1.750 118.738 120.500 -0.021 0.000 2.148 155 R HA -0.102 4.241 4.340 0.005 0.000 0.223 155 R C 2.154 178.535 176.300 0.135 0.000 1.088 155 R CA 1.310 57.450 56.100 0.067 0.000 0.985 155 R CB -0.380 29.950 30.300 0.049 0.000 0.880 155 R HN 0.779 nan 8.270 nan 0.000 0.451 156 H N 0.913 120.001 119.070 0.030 0.000 2.307 156 H HA 0.002 4.561 4.556 0.005 0.000 0.303 156 H C 1.899 177.256 175.328 0.049 0.000 1.073 156 H CA 1.545 57.609 56.048 0.027 0.000 1.338 156 H CB 0.059 29.825 29.762 0.007 0.000 1.389 156 H HN -0.092 nan 8.280 nan 0.000 0.503 157 M N -0.094 119.464 119.600 -0.070 0.000 2.267 157 M HA -0.104 4.379 4.480 0.005 0.000 0.263 157 M C 2.410 178.765 176.300 0.092 0.000 1.063 157 M CA 1.035 56.298 55.300 -0.061 0.000 1.090 157 M CB -0.891 31.855 32.600 0.244 0.000 1.392 157 M HN 0.328 nan 8.290 nan 0.000 0.422 158 L N -0.677 120.684 121.223 0.230 0.000 2.131 158 L HA -0.150 4.193 4.340 0.005 0.000 0.206 158 L C 2.488 179.450 176.870 0.155 0.000 1.087 158 L CA 0.923 55.940 54.840 0.296 0.000 0.767 158 L CB -0.374 41.866 42.059 0.301 0.000 0.917 158 L HN 0.324 nan 8.230 nan 0.000 0.441 159 E N 0.845 121.092 120.200 0.078 0.000 2.051 159 E HA -0.237 4.116 4.350 0.005 0.000 0.192 159 E C 1.919 178.498 176.600 -0.035 0.000 0.991 159 E CA 1.498 57.924 56.400 0.044 0.000 0.799 159 E CB -0.038 29.712 29.700 0.084 0.000 0.748 159 E HN 0.630 nan 8.360 nan 0.000 0.449 160 I N -2.104 118.386 120.570 -0.134 0.000 3.749 160 I HA 0.172 4.346 4.170 0.005 0.000 0.314 160 I C -0.006 175.944 176.117 -0.277 0.000 1.267 160 I CA -0.055 61.129 61.300 -0.193 0.000 1.169 160 I CB -0.062 37.779 38.000 -0.267 0.000 1.009 160 I HN 0.006 nan 8.210 nan 0.000 0.444 161 R N 0.834 121.153 120.500 -0.302 0.000 3.627 161 R HA -0.191 4.152 4.340 0.005 0.000 0.281 161 R C 1.380 177.171 176.300 -0.849 0.000 1.140 161 R CA 0.635 56.292 56.100 -0.739 0.000 0.761 161 R CB -1.667 28.153 30.300 -0.800 0.000 1.181 161 R HN 0.557 nan 8.270 nan 0.000 0.472 162 R N 0.139 120.356 120.500 -0.471 0.000 2.090 162 R HA 0.072 4.415 4.340 0.005 0.000 0.219 162 R C 0.262 176.222 176.300 -0.567 0.000 1.100 162 R CA 1.026 56.791 56.100 -0.558 0.000 0.991 162 R CB 0.390 30.312 30.300 -0.631 0.000 0.893 162 R HN 0.313 nan 8.270 nan 0.000 0.443 163 H N -0.759 118.397 119.070 0.145 0.000 2.894 163 H HA 0.240 4.799 4.556 0.006 0.000 0.367 163 H C -0.126 175.269 175.328 0.112 0.000 1.144 163 H CA -0.512 55.620 56.048 0.141 0.000 1.180 163 H CB 1.834 31.554 29.762 -0.071 0.000 1.758 163 H HN 0.121 nan 8.280 nan 0.000 0.541 164 R N 0.223 120.682 120.500 -0.069 0.000 2.541 164 R HA 0.398 4.742 4.340 0.005 0.000 0.332 164 R C -0.961 175.109 176.300 -0.385 0.000 0.951 164 R CA -0.085 55.870 56.100 -0.243 0.000 1.136 164 R CB 0.621 30.583 30.300 -0.563 0.000 1.449 164 R HN 0.095 nan 8.270 nan 0.000 0.531 165 V N 1.865 121.427 119.914 -0.586 0.000 2.604 165 V HA 0.551 4.674 4.120 0.005 0.000 0.305 165 V C -1.275 174.400 176.094 -0.699 0.000 1.043 165 V CA -0.628 61.441 62.300 -0.385 0.000 0.888 165 V CB 1.643 33.408 31.823 -0.098 0.000 0.995 165 V HN 0.056 nan 8.190 nan 0.000 0.429 166 F N 2.675 122.698 119.950 0.121 0.000 2.565 166 F HA 0.675 5.205 4.527 0.005 0.000 0.313 166 F C -0.067 175.758 175.800 0.043 0.000 1.091 166 F CA -0.840 57.221 58.000 0.101 0.000 0.915 166 F CB 2.151 41.215 39.000 0.106 0.000 1.208 166 F HN 0.306 nan 8.300 nan 0.000 0.453 167 K N 2.964 123.478 120.400 0.189 0.000 2.324 167 K HA 0.797 5.120 4.320 0.005 0.000 0.253 167 K C -1.937 174.688 176.600 0.042 0.000 0.932 167 K CA -0.562 55.767 56.287 0.070 0.000 0.799 167 K CB 1.540 34.057 32.500 0.028 0.000 1.154 167 K HN 0.730 nan 8.250 nan 0.000 0.425 168 L N 4.072 125.308 121.223 0.022 0.000 2.349 168 L HA 0.436 4.779 4.340 0.005 0.000 0.278 168 L C -0.536 176.342 176.870 0.014 0.000 0.996 168 L CA -0.806 54.052 54.840 0.031 0.000 0.825 168 L CB 1.853 43.938 42.059 0.045 0.000 1.243 168 L HN 0.508 nan 8.230 nan 0.000 0.412 169 K N 5.445 125.852 120.400 0.012 0.000 2.310 169 K HA 0.487 4.810 4.320 0.005 0.000 0.290 169 K C -0.429 176.181 176.600 0.017 0.000 1.077 169 K CA -0.066 56.226 56.287 0.007 0.000 0.922 169 K CB 0.721 33.229 32.500 0.013 0.000 1.057 169 K HN 0.496 nan 8.250 nan 0.000 0.479 170 I N -2.501 118.062 120.570 -0.012 0.000 3.294 170 I HA 0.733 4.907 4.170 0.005 0.000 0.311 170 I C 0.754 176.814 176.117 -0.095 0.000 1.111 170 I CA -0.757 60.532 61.300 -0.018 0.000 0.976 170 I CB 2.102 40.132 38.000 0.050 0.000 1.260 170 I HN 0.642 nan 8.210 nan 0.000 0.474 171 G N 0.720 109.471 108.800 -0.082 0.000 2.253 171 G HA2 -0.207 3.756 3.960 0.005 0.000 0.209 171 G HA3 -0.207 3.756 3.960 0.005 0.000 0.209 171 G C 0.848 175.516 174.900 -0.387 0.000 0.997 171 G CA 0.427 45.440 45.100 -0.146 0.000 0.640 171 G HN 1.249 nan 8.290 nan 0.000 0.496 172 A N -0.112 122.399 122.820 -0.516 0.000 2.178 172 A HA 0.538 4.861 4.320 0.005 0.000 0.211 172 A C 0.927 178.377 177.584 -0.223 0.000 1.157 172 A CA 1.401 53.117 52.037 -0.536 0.000 0.780 172 A CB -0.105 18.606 19.000 -0.482 0.000 0.828 172 A HN 0.589 nan 8.150 nan 0.000 0.476 173 N N -0.652 117.978 118.700 -0.116 0.000 2.525 173 N HA 0.494 5.237 4.740 0.005 0.000 0.288 173 N C -3.013 172.501 175.510 0.006 0.000 1.242 173 N CA -1.823 51.195 53.050 -0.053 0.000 0.905 173 N CB 0.536 38.992 38.487 -0.052 0.000 1.258 173 N HN -0.152 nan 8.380 nan 0.000 0.551 174 P HA -0.040 nan 4.420 nan 0.000 0.265 174 P C 0.664 177.982 177.300 0.031 0.000 1.193 174 P CA -0.063 63.043 63.100 0.009 0.000 0.765 174 P CB 0.596 32.291 31.700 -0.008 0.000 0.823 175 V N 3.410 123.330 119.914 0.011 0.000 2.250 175 V HA -0.316 3.808 4.120 0.005 0.000 0.253 175 V C 2.049 178.138 176.094 -0.008 0.000 1.065 175 V CA 1.993 64.280 62.300 -0.021 0.000 1.039 175 V CB -1.059 30.622 31.823 -0.237 0.000 0.647 175 V HN 0.667 nan 8.190 nan 0.000 0.446 176 E N -0.707 119.474 120.200 -0.030 0.000 2.160 176 E HA -0.303 4.050 4.350 0.005 0.000 0.195 176 E C 2.331 178.942 176.600 0.019 0.000 0.991 176 E CA 1.489 57.880 56.400 -0.015 0.000 0.810 176 E CB -0.114 29.573 29.700 -0.023 0.000 0.742 176 E HN 0.680 nan 8.360 nan 0.000 0.466 177 Q N 0.418 120.233 119.800 0.025 0.000 2.083 177 Q HA -0.171 4.172 4.340 0.005 0.000 0.198 177 Q C 1.489 177.533 176.000 0.074 0.000 0.969 177 Q CA 1.264 57.087 55.803 0.033 0.000 0.838 177 Q CB 0.224 28.967 28.738 0.008 0.000 0.900 177 Q HN 0.169 nan 8.270 nan 0.000 0.436 178 D N 0.277 120.737 120.400 0.099 0.000 2.178 178 D HA -0.114 4.529 4.640 0.005 0.000 0.202 178 D C 1.927 178.343 176.300 0.194 0.000 0.974 178 D CA 0.791 54.891 54.000 0.167 0.000 0.841 178 D CB 0.035 40.964 40.800 0.214 0.000 0.953 178 D HN 0.309 nan 8.370 nan 0.000 0.478 179 L N 0.538 121.844 121.223 0.139 0.000 2.109 179 L HA -0.093 4.250 4.340 0.005 0.000 0.207 179 L C 2.510 179.429 176.870 0.081 0.000 1.086 179 L CA 0.849 55.751 54.840 0.104 0.000 0.760 179 L CB -0.326 41.762 42.059 0.049 0.000 0.910 179 L HN -0.038 nan 8.230 nan 0.000 0.437 180 K N -0.387 120.061 120.400 0.080 0.000 2.057 180 K HA -0.245 4.078 4.320 0.005 0.000 0.206 180 K C 2.231 178.888 176.600 0.096 0.000 1.050 180 K CA 1.341 57.669 56.287 0.068 0.000 0.935 180 K CB -0.216 32.319 32.500 0.058 0.000 0.715 180 K HN 0.404 nan 8.250 nan 0.000 0.439 181 H N 0.185 119.268 119.070 0.021 0.000 2.293 181 H HA -0.108 4.451 4.556 0.005 0.000 0.300 181 H C 1.936 177.277 175.328 0.021 0.000 1.082 181 H CA 1.923 57.981 56.048 0.018 0.000 1.308 181 H CB 0.109 29.882 29.762 0.018 0.000 1.375 181 H HN 0.034 nan 8.280 nan 0.000 0.495 182 V N 0.822 120.681 119.914 -0.092 0.000 2.295 182 V HA -0.217 3.906 4.120 0.005 0.000 0.246 182 V C 2.955 178.997 176.094 -0.086 0.000 1.049 182 V CA 1.388 63.602 62.300 -0.143 0.000 1.024 182 V CB -0.501 31.323 31.823 0.001 0.000 0.648 182 V HN 0.273 nan 8.190 nan 0.000 0.447 183 V N -0.066 119.832 119.914 -0.026 0.000 2.407 183 V HA -0.263 3.860 4.120 0.005 0.000 0.248 183 V C 2.555 178.635 176.094 -0.024 0.000 1.055 183 V CA 2.559 64.852 62.300 -0.012 0.000 1.049 183 V CB -0.983 30.844 31.823 0.007 0.000 0.662 183 V HN 0.618 nan 8.190 nan 0.000 0.455 184 T N 0.211 114.745 114.554 -0.033 0.000 2.777 184 T HA -0.079 4.274 4.350 0.005 0.000 0.266 184 T C 1.813 176.482 174.700 -0.051 0.000 1.040 184 T CA 1.603 63.686 62.100 -0.029 0.000 1.141 184 T CB -0.232 68.629 68.868 -0.011 0.000 0.868 184 T HN 0.359 nan 8.240 nan 0.000 0.444 185 I N 0.784 121.291 120.570 -0.105 0.000 2.252 185 I HA -0.125 4.048 4.170 0.005 0.000 0.245 185 I C 2.520 178.603 176.117 -0.057 0.000 1.102 185 I CA 1.058 62.292 61.300 -0.110 0.000 1.385 185 I CB -0.220 37.663 38.000 -0.194 0.000 1.064 185 I HN 0.089 nan 8.210 nan 0.000 0.414 186 K N 1.260 121.637 120.400 -0.039 0.000 2.211 186 K HA -0.110 4.213 4.320 0.005 0.000 0.203 186 K C 2.127 178.730 176.600 0.005 0.000 1.050 186 K CA 1.322 57.608 56.287 -0.001 0.000 0.945 186 K CB -0.160 32.345 32.500 0.007 0.000 0.732 186 K HN 0.085 nan 8.250 nan 0.000 0.451 187 R N 0.126 120.623 120.500 -0.005 0.000 2.066 187 R HA -0.034 4.309 4.340 0.005 0.000 0.232 187 R C 1.875 178.177 176.300 0.003 0.000 1.131 187 R CA 1.431 57.532 56.100 0.002 0.000 0.955 187 R CB -0.042 30.258 30.300 -0.001 0.000 0.851 187 R HN 0.202 nan 8.270 nan 0.000 0.432 188 E N 0.497 120.694 120.200 -0.004 0.000 2.150 188 E HA -0.144 4.209 4.350 0.005 0.000 0.193 188 E C 2.011 178.614 176.600 0.005 0.000 0.985 188 E CA 0.924 57.323 56.400 -0.002 0.000 0.814 188 E CB 0.058 29.752 29.700 -0.011 0.000 0.752 188 E HN 0.376 nan 8.360 nan 0.000 0.466 189 L N -0.327 120.900 121.223 0.007 0.000 2.270 189 L HA 0.063 4.406 4.340 0.005 0.000 0.210 189 L C 1.518 178.413 176.870 0.042 0.000 1.104 189 L CA 0.487 55.343 54.840 0.028 0.000 0.804 189 L CB -0.632 41.450 42.059 0.038 0.000 0.937 189 L HN 0.154 nan 8.230 nan 0.000 0.450 190 G N 1.475 110.295 108.800 0.034 0.000 2.575 190 G HA2 -0.332 3.631 3.960 0.005 0.000 0.267 190 G HA3 -0.332 3.631 3.960 0.005 0.000 0.267 190 G C -0.025 174.901 174.900 0.044 0.000 1.264 190 G CA 0.223 45.343 45.100 0.034 0.000 0.935 190 G HN 0.474 nan 8.290 nan 0.000 0.568 191 D N 0.268 120.690 120.400 0.037 0.000 2.519 191 D HA 0.280 4.923 4.640 0.005 0.000 0.238 191 D C 1.612 177.934 176.300 0.036 0.000 1.192 191 D CA 0.728 54.750 54.000 0.036 0.000 0.835 191 D CB 0.205 41.020 40.800 0.025 0.000 0.975 191 D HN 0.274 nan 8.370 nan 0.000 0.490 192 S N -0.362 115.370 115.700 0.053 0.000 2.458 192 S HA 0.311 4.784 4.470 0.005 0.000 0.223 192 S C 1.044 175.691 174.600 0.078 0.000 1.019 192 S CA 0.129 58.365 58.200 0.060 0.000 0.937 192 S CB 0.488 63.736 63.200 0.080 0.000 0.788 192 S HN 0.572 nan 8.310 nan 0.000 0.511 193 A N 0.899 123.790 122.820 0.118 0.000 2.479 193 A HA 0.773 5.096 4.320 0.005 0.000 0.296 193 A C -0.563 177.101 177.584 0.134 0.000 1.121 193 A CA -0.581 51.560 52.037 0.174 0.000 0.743 193 A CB 1.513 20.766 19.000 0.421 0.000 1.323 193 A HN 0.094 nan 8.150 nan 0.000 0.415 194 S N 0.070 115.842 115.700 0.120 0.000 2.437 194 S HA 0.604 5.077 4.470 0.005 0.000 0.305 194 S C -0.966 173.723 174.600 0.148 0.000 1.109 194 S CA -0.414 57.851 58.200 0.108 0.000 1.099 194 S CB 0.570 63.823 63.200 0.088 0.000 1.004 194 S HN 0.900 nan 8.310 nan 0.000 0.475 195 V N 6.178 126.165 119.914 0.122 0.000 2.417 195 V HA 0.631 4.754 4.120 0.005 0.000 0.291 195 V C -0.184 175.937 176.094 0.045 0.000 1.024 195 V CA -0.729 61.640 62.300 0.114 0.000 0.861 195 V CB 1.490 33.365 31.823 0.087 0.000 0.985 195 V HN 0.903 nan 8.190 nan 0.000 0.436 196 R N 2.449 122.964 120.500 0.025 0.000 2.854 196 R HA 0.883 5.226 4.340 0.005 0.000 0.271 196 R C -0.935 175.337 176.300 -0.046 0.000 0.994 196 R CA -0.693 55.375 56.100 -0.053 0.000 0.945 196 R CB 2.358 32.586 30.300 -0.119 0.000 1.194 196 R HN 0.642 nan 8.270 nan 0.000 0.476 197 V N -2.236 117.629 119.914 -0.081 0.000 3.001 197 V HA 0.703 4.826 4.120 0.005 0.000 0.314 197 V C -1.154 174.869 176.094 -0.118 0.000 1.099 197 V CA -0.779 61.479 62.300 -0.070 0.000 0.989 197 V CB 2.253 34.050 31.823 -0.044 0.000 1.040 197 V HN 0.681 nan 8.190 nan 0.000 0.434 198 D N 0.889 121.221 120.400 -0.112 0.000 2.686 198 D HA 0.503 5.146 4.640 0.005 0.000 0.249 198 D C 0.144 176.347 176.300 -0.162 0.000 1.260 198 D CA -0.312 53.611 54.000 -0.130 0.000 0.910 198 D CB 2.206 42.959 40.800 -0.078 0.000 1.323 198 D HN 0.365 nan 8.370 nan 0.000 0.561 199 V N 2.829 122.579 119.914 -0.273 0.000 3.608 199 V HA 0.085 4.208 4.120 0.005 0.000 0.269 199 V C 0.887 176.863 176.094 -0.198 0.000 1.245 199 V CA -0.188 61.875 62.300 -0.395 0.000 1.138 199 V CB -0.975 30.280 31.823 -0.946 0.000 0.841 199 V HN 0.741 nan 8.190 nan 0.000 0.451 200 N N 1.650 120.241 118.700 -0.182 0.000 2.714 200 N HA -0.289 4.454 4.740 0.005 0.000 0.252 200 N C 0.578 175.822 175.510 -0.444 0.000 1.014 200 N CA 1.171 54.075 53.050 -0.244 0.000 0.735 200 N CB -0.854 37.530 38.487 -0.173 0.000 0.924 200 N HN 0.816 nan 8.380 nan 0.000 0.540 201 Q N -3.854 115.768 119.800 -0.297 0.000 2.406 201 Q HA -0.295 4.048 4.340 0.005 0.000 0.236 201 Q C 0.206 176.080 176.000 -0.209 0.000 0.799 201 Q CA 1.489 57.147 55.803 -0.241 0.000 1.286 201 Q CB -1.596 26.997 28.738 -0.241 0.000 1.615 201 Q HN 0.618 nan 8.270 nan 0.000 0.621 202 Y N -1.186 119.008 120.300 -0.177 0.000 2.421 202 Y HA -0.112 4.442 4.550 0.006 0.000 0.292 202 Y C 1.168 177.114 175.900 0.076 0.000 1.136 202 Y CA 0.991 59.027 58.100 -0.106 0.000 1.255 202 Y CB 0.256 38.620 38.460 -0.159 0.000 0.991 202 Y HN 0.209 nan 8.280 nan 0.000 0.552 203 W N 1.345 122.717 121.300 0.121 0.000 2.436 203 W HA 0.326 4.988 4.660 0.003 0.000 0.347 203 W C -0.140 176.399 176.519 0.032 0.000 1.136 203 W CA -1.682 55.703 57.345 0.066 0.000 1.286 203 W CB 0.308 29.795 29.460 0.045 0.000 1.253 203 W HN -0.008 nan 8.180 nan 0.000 0.617 204 D N -1.296 119.261 120.400 0.261 0.000 2.326 204 D HA 0.102 4.745 4.640 0.005 0.000 0.251 204 D C 0.746 177.118 176.300 0.121 0.000 1.023 204 D CA -0.595 53.490 54.000 0.141 0.000 0.966 204 D CB 0.889 41.739 40.800 0.082 0.000 1.156 204 D HN 0.542 nan 8.370 nan 0.000 0.494 205 E N 0.021 120.269 120.200 0.081 0.000 2.171 205 E HA -0.283 4.070 4.350 0.005 0.000 0.197 205 E C 1.500 178.111 176.600 0.018 0.000 0.997 205 E CA 1.701 58.136 56.400 0.058 0.000 0.810 205 E CB 0.010 29.734 29.700 0.039 0.000 0.738 205 E HN 0.536 nan 8.360 nan 0.000 0.467 206 S N -0.190 115.511 115.700 0.001 0.000 2.402 206 S HA -0.202 4.271 4.470 0.005 0.000 0.229 206 S C 1.896 176.447 174.600 -0.083 0.000 1.021 206 S CA 1.129 59.309 58.200 -0.032 0.000 0.974 206 S CB -0.191 62.993 63.200 -0.026 0.000 0.800 206 S HN 0.334 nan 8.310 nan 0.000 0.484 207 Q N 1.016 120.750 119.800 -0.111 0.000 2.137 207 Q HA 0.250 4.593 4.340 0.005 0.000 0.198 207 Q C 2.573 178.322 176.000 -0.419 0.000 0.960 207 Q CA 1.101 56.735 55.803 -0.281 0.000 0.847 207 Q CB -0.448 28.080 28.738 -0.350 0.000 0.915 207 Q HN 0.743 nan 8.270 nan 0.000 0.448 208 A N 0.875 123.570 122.820 -0.209 0.000 1.969 208 A HA -0.147 4.176 4.320 0.005 0.000 0.218 208 A C 2.004 179.535 177.584 -0.089 0.000 1.169 208 A CA 0.853 52.833 52.037 -0.094 0.000 0.635 208 A CB -0.584 18.567 19.000 0.253 0.000 0.810 208 A HN 0.289 nan 8.150 nan 0.000 0.445 209 I N -0.871 119.654 120.570 -0.076 0.000 2.118 209 I HA -0.319 3.854 4.170 0.005 0.000 0.241 209 I C 2.773 178.844 176.117 -0.077 0.000 1.070 209 I CA 2.052 63.320 61.300 -0.054 0.000 1.327 209 I CB -0.277 37.695 38.000 -0.046 0.000 1.034 209 I HN 0.360 nan 8.210 nan 0.000 0.405 210 R N 0.789 121.215 120.500 -0.122 0.000 2.075 210 R HA -0.082 4.262 4.340 0.005 0.000 0.226 210 R C 2.380 178.595 176.300 -0.141 0.000 1.114 210 R CA 1.234 57.264 56.100 -0.118 0.000 0.972 210 R CB -0.195 30.029 30.300 -0.127 0.000 0.869 210 R HN 0.356 nan 8.270 nan 0.000 0.437 211 A N 0.662 123.328 122.820 -0.256 0.000 1.883 211 A HA -0.208 4.115 4.320 0.005 0.000 0.217 211 A C 2.452 179.999 177.584 -0.063 0.000 1.186 211 A CA 1.725 53.586 52.037 -0.294 0.000 0.624 211 A CB -1.028 17.430 19.000 -0.903 0.000 0.822 211 A HN 0.567 nan 8.150 nan 0.000 0.444 212 C N -1.428 117.868 119.300 -0.005 0.000 2.422 212 C HA -0.056 4.408 4.460 0.005 0.000 0.279 212 C C 2.838 177.843 174.990 0.025 0.000 1.305 212 C CA 1.350 60.410 59.018 0.069 0.000 1.757 212 C CB -1.044 26.742 27.740 0.077 0.000 1.962 212 C HN 0.776 nan 8.230 nan 0.000 0.499 213 Q N 0.920 120.717 119.800 -0.006 0.000 2.046 213 Q HA -0.103 4.240 4.340 0.005 0.000 0.200 213 Q C 2.106 178.103 176.000 -0.005 0.000 0.975 213 Q CA 1.947 57.746 55.803 -0.008 0.000 0.836 213 Q CB -0.320 28.406 28.738 -0.021 0.000 0.896 213 Q HN 0.462 nan 8.270 nan 0.000 0.428 214 V N 0.561 120.467 119.914 -0.013 0.000 2.295 214 V HA -0.257 3.866 4.120 0.005 0.000 0.246 214 V C 2.317 178.419 176.094 0.013 0.000 1.049 214 V CA 1.731 64.028 62.300 -0.005 0.000 1.024 214 V CB -0.644 31.169 31.823 -0.016 0.000 0.648 214 V HN 0.368 nan 8.190 nan 0.000 0.447 215 L N 0.442 121.683 121.223 0.031 0.000 2.017 215 L HA -0.087 4.256 4.340 0.005 0.000 0.208 215 L C 2.678 179.563 176.870 0.025 0.000 1.073 215 L CA 1.861 56.727 54.840 0.044 0.000 0.745 215 L CB -1.199 40.910 42.059 0.083 0.000 0.894 215 L HN 0.474 nan 8.230 nan 0.000 0.432 216 G N -0.675 108.137 108.800 0.020 0.000 2.422 216 G HA2 -0.224 3.739 3.960 0.005 0.000 0.218 216 G HA3 -0.224 3.739 3.960 0.005 0.000 0.218 216 G C 1.087 175.994 174.900 0.012 0.000 1.146 216 G CA 0.692 45.798 45.100 0.011 0.000 0.769 216 G HN 0.302 nan 8.290 nan 0.000 0.547 217 D N 0.298 120.704 120.400 0.010 0.000 2.347 217 D HA -0.002 4.641 4.640 0.005 0.000 0.215 217 D C 1.199 177.505 176.300 0.010 0.000 0.976 217 D CA 0.350 54.355 54.000 0.008 0.000 0.884 217 D CB 0.039 40.842 40.800 0.004 0.000 0.915 217 D HN 0.250 nan 8.370 nan 0.000 0.526 218 N N -0.204 118.503 118.700 0.013 0.000 2.328 218 N HA 0.161 4.905 4.740 0.005 0.000 0.247 218 N C 0.734 176.253 175.510 0.016 0.000 1.165 218 N CA 0.111 53.169 53.050 0.013 0.000 0.873 218 N CB 1.522 40.017 38.487 0.012 0.000 1.125 218 N HN 0.074 nan 8.380 nan 0.000 0.513 219 G N 1.141 109.953 108.800 0.019 0.000 2.143 219 G HA2 -0.266 3.697 3.960 0.005 0.000 0.248 219 G HA3 -0.266 3.697 3.960 0.005 0.000 0.248 219 G C -0.034 174.881 174.900 0.026 0.000 0.991 219 G CA -0.234 44.881 45.100 0.025 0.000 0.689 219 G HN 0.236 nan 8.290 nan 0.000 0.522 220 I N 1.569 122.149 120.570 0.016 0.000 2.416 220 I HA 0.274 4.448 4.170 0.005 0.000 0.288 220 I C 1.221 177.330 176.117 -0.014 0.000 1.051 220 I CA -0.653 60.650 61.300 0.005 0.000 1.375 220 I CB 1.157 39.158 38.000 0.003 0.000 1.407 220 I HN 0.027 nan 8.210 nan 0.000 0.516 221 D N 5.420 125.809 120.400 -0.018 0.000 2.183 221 D HA 0.016 4.659 4.640 0.005 0.000 0.203 221 D C 0.179 176.327 176.300 -0.254 0.000 0.969 221 D CA 1.298 55.271 54.000 -0.045 0.000 0.842 221 D CB 0.075 40.924 40.800 0.082 0.000 0.957 221 D HN 0.387 nan 8.370 nan 0.000 0.484 222 L N -2.701 118.350 121.223 -0.286 0.000 2.612 222 L HA 0.482 4.826 4.340 0.005 0.000 0.256 222 L C -1.490 175.225 176.870 -0.258 0.000 0.949 222 L CA -0.894 53.708 54.840 -0.397 0.000 0.867 222 L CB 1.645 43.248 42.059 -0.759 0.000 1.417 222 L HN -0.293 nan 8.230 nan 0.000 0.414 223 I N 1.616 122.060 120.570 -0.211 0.000 2.382 223 I HA 0.444 4.617 4.170 0.005 0.000 0.285 223 I C -0.263 175.752 176.117 -0.171 0.000 1.007 223 I CA -0.291 60.925 61.300 -0.140 0.000 1.142 223 I CB 1.714 39.688 38.000 -0.043 0.000 1.289 223 I HN 0.795 nan 8.210 nan 0.000 0.453 224 E N 5.991 126.077 120.200 -0.190 0.000 2.227 224 E HA 0.119 4.473 4.350 0.005 0.000 0.282 224 E C -0.084 176.426 176.600 -0.150 0.000 1.015 224 E CA -0.624 55.669 56.400 -0.179 0.000 0.823 224 E CB 0.791 30.375 29.700 -0.194 0.000 1.081 224 E HN 0.475 nan 8.360 nan 0.000 0.396 225 Q N 3.802 123.533 119.800 -0.114 0.000 2.413 225 Q HA -0.177 4.166 4.340 0.005 0.000 0.364 225 Q C -1.914 174.004 176.000 -0.136 0.000 1.359 225 Q CA 0.709 56.450 55.803 -0.103 0.000 1.097 225 Q CB -0.274 28.405 28.738 -0.099 0.000 1.286 225 Q HN 0.532 nan 8.270 nan 0.000 0.358 226 P HA -0.134 nan 4.420 nan 0.000 0.215 226 P C 0.749 178.036 177.300 -0.022 0.000 1.153 226 P CA 1.812 64.846 63.100 -0.109 0.000 0.853 226 P CB -0.133 31.628 31.700 0.101 0.000 0.788 227 I N -4.510 116.076 120.570 0.028 0.000 3.133 227 I HA 0.562 4.736 4.170 0.005 0.000 0.311 227 I C 0.172 176.283 176.117 -0.010 0.000 1.072 227 I CA -1.403 59.928 61.300 0.051 0.000 1.015 227 I CB 1.902 39.957 38.000 0.091 0.000 1.233 227 I HN -0.277 nan 8.210 nan 0.000 0.473 228 S N 0.853 116.548 115.700 -0.008 0.000 2.572 228 S HA 0.124 4.598 4.470 0.005 0.000 0.279 228 S C 1.321 175.906 174.600 -0.024 0.000 1.341 228 S CA -0.229 57.950 58.200 -0.035 0.000 1.043 228 S CB 0.581 63.763 63.200 -0.030 0.000 0.887 228 S HN 0.834 nan 8.310 nan 0.000 0.516 229 R N 3.634 124.113 120.500 -0.034 0.000 2.241 229 R HA -0.052 4.291 4.340 0.005 0.000 0.224 229 R C 1.885 178.181 176.300 -0.007 0.000 1.101 229 R CA 1.801 57.889 56.100 -0.021 0.000 0.995 229 R CB -0.917 29.370 30.300 -0.022 0.000 0.870 229 R HN 0.838 nan 8.270 nan 0.000 0.463 230 I N -1.320 119.246 120.570 -0.007 0.000 2.676 230 I HA -0.004 4.169 4.170 0.005 0.000 0.259 230 I C 0.482 176.603 176.117 0.007 0.000 1.194 230 I CA 0.547 61.848 61.300 0.002 0.000 1.473 230 I CB -0.305 37.696 38.000 0.001 0.000 1.096 230 I HN -0.012 nan 8.210 nan 0.000 0.443 231 N N 2.158 120.863 118.700 0.007 0.000 2.868 231 N HA 0.070 4.813 4.740 0.005 0.000 0.252 231 N C 0.882 176.400 175.510 0.012 0.000 1.130 231 N CA -0.099 52.959 53.050 0.012 0.000 1.026 231 N CB 0.484 38.982 38.487 0.019 0.000 1.335 231 N HN 0.221 nan 8.380 nan 0.000 0.516 232 R N 2.403 122.910 120.500 0.011 0.000 2.066 232 R HA 0.068 4.411 4.340 0.005 0.000 0.232 232 R C 1.847 178.155 176.300 0.012 0.000 1.131 232 R CA 1.992 58.099 56.100 0.011 0.000 0.955 232 R CB -0.914 29.393 30.300 0.011 0.000 0.851 232 R HN 0.510 nan 8.270 nan 0.000 0.432 233 G N -1.034 107.773 108.800 0.012 0.000 2.432 233 G HA2 -0.179 3.784 3.960 0.005 0.000 0.219 233 G HA3 -0.179 3.784 3.960 0.005 0.000 0.219 233 G C 1.505 176.414 174.900 0.014 0.000 1.135 233 G CA 0.686 45.793 45.100 0.011 0.000 0.767 233 G HN 0.527 nan 8.290 nan 0.000 0.550 234 G N 0.150 108.961 108.800 0.017 0.000 2.408 234 G HA2 -0.152 3.811 3.960 0.005 0.000 0.217 234 G HA3 -0.152 3.811 3.960 0.005 0.000 0.217 234 G C 1.767 176.681 174.900 0.024 0.000 1.150 234 G CA 0.971 46.084 45.100 0.022 0.000 0.776 234 G HN 0.509 nan 8.290 nan 0.000 0.542 235 Q N -0.280 119.533 119.800 0.022 0.000 2.079 235 Q HA -0.028 4.315 4.340 0.005 0.000 0.200 235 Q C 2.847 178.859 176.000 0.020 0.000 0.974 235 Q CA 1.216 57.032 55.803 0.022 0.000 0.840 235 Q CB -0.178 28.572 28.738 0.019 0.000 0.898 235 Q HN 0.375 nan 8.270 nan 0.000 0.430 236 V N 0.885 120.809 119.914 0.016 0.000 2.343 236 V HA -0.272 3.851 4.120 0.005 0.000 0.247 236 V C 2.142 178.242 176.094 0.010 0.000 1.051 236 V CA 1.840 64.147 62.300 0.012 0.000 1.036 236 V CB -0.455 31.372 31.823 0.008 0.000 0.654 236 V HN 0.276 nan 8.190 nan 0.000 0.451 237 R N -0.445 120.062 120.500 0.012 0.000 2.075 237 R HA -0.018 4.325 4.340 0.005 0.000 0.232 237 R C 2.290 178.597 176.300 0.012 0.000 1.126 237 R CA 1.238 57.344 56.100 0.010 0.000 0.963 237 R CB -0.350 29.956 30.300 0.010 0.000 0.858 237 R HN 0.401 nan 8.270 nan 0.000 0.435 238 L N 0.643 121.877 121.223 0.018 0.000 2.141 238 L HA -0.157 4.186 4.340 0.005 0.000 0.209 238 L C 2.053 178.931 176.870 0.013 0.000 1.094 238 L CA 0.967 55.820 54.840 0.021 0.000 0.763 238 L CB -0.418 41.663 42.059 0.036 0.000 0.908 238 L HN 0.232 nan 8.230 nan 0.000 0.437 239 N N -0.022 118.684 118.700 0.011 0.000 2.309 239 N HA -0.194 4.549 4.740 0.005 0.000 0.182 239 N C 1.826 177.337 175.510 0.002 0.000 1.018 239 N CA 1.206 54.259 53.050 0.005 0.000 0.876 239 N CB 0.146 38.638 38.487 0.008 0.000 0.972 239 N HN 0.365 nan 8.380 nan 0.000 0.434 240 Q N -0.994 118.808 119.800 0.004 0.000 2.302 240 Q HA 0.059 4.402 4.340 0.005 0.000 0.202 240 Q C 1.669 177.671 176.000 0.003 0.000 0.936 240 Q CA 0.668 56.473 55.803 0.002 0.000 0.886 240 Q CB 0.284 29.024 28.738 0.002 0.000 0.986 240 Q HN 0.526 nan 8.270 nan 0.000 0.487 241 R N -0.612 119.891 120.500 0.004 0.000 2.279 241 R HA 0.203 4.546 4.340 0.005 0.000 0.195 241 R C 0.284 176.587 176.300 0.004 0.000 0.905 241 R CA 0.114 56.216 56.100 0.003 0.000 1.044 241 R CB 0.006 30.307 30.300 0.002 0.000 1.056 241 R HN -0.186 nan 8.270 nan 0.000 0.535 242 T N 4.592 119.149 114.554 0.006 0.000 2.853 242 T HA 0.083 4.436 4.350 0.005 0.000 0.298 242 T C -1.640 173.061 174.700 0.002 0.000 0.978 242 T CA -1.101 61.003 62.100 0.006 0.000 1.152 242 T CB 1.524 70.398 68.868 0.009 0.000 0.914 242 T HN 0.156 nan 8.240 nan 0.000 0.539 243 P HA 0.023 nan 4.420 nan 0.000 0.220 243 P C 0.155 177.455 177.300 0.000 0.000 1.148 243 P CA 0.522 63.624 63.100 0.004 0.000 0.803 243 P CB 0.282 31.985 31.700 0.005 0.000 0.782 244 A N 1.270 124.083 122.820 -0.011 0.000 2.317 244 A HA 0.599 4.922 4.320 0.005 0.000 0.327 244 A C -2.472 175.072 177.584 -0.066 0.000 1.178 244 A CA -2.172 49.843 52.037 -0.037 0.000 0.817 244 A CB 0.440 19.412 19.000 -0.046 0.000 1.189 244 A HN -0.047 nan 8.150 nan 0.000 0.489 245 P HA 0.100 nan 4.420 nan 0.000 0.267 245 P C -0.648 176.548 177.300 -0.173 0.000 1.200 245 P CA 0.164 63.187 63.100 -0.127 0.000 0.772 245 P CB 0.560 32.172 31.700 -0.147 0.000 0.855 246 I N 3.610 124.112 120.570 -0.114 0.000 2.331 246 I HA 0.361 4.534 4.170 0.005 0.000 0.292 246 I C 0.699 176.756 176.117 -0.100 0.000 0.998 246 I CA -0.585 60.659 61.300 -0.094 0.000 1.267 246 I CB 0.769 38.749 38.000 -0.033 0.000 1.386 246 I HN 0.433 nan 8.210 nan 0.000 0.476 247 M N 5.928 125.452 119.600 -0.126 0.000 2.364 247 M HA 0.698 5.182 4.480 0.005 0.000 0.334 247 M C -0.763 175.522 176.300 -0.024 0.000 1.107 247 M CA -0.482 54.765 55.300 -0.089 0.000 0.988 247 M CB 1.812 34.283 32.600 -0.215 0.000 1.673 247 M HN 0.652 nan 8.290 nan 0.000 0.441 248 A N 3.133 125.992 122.820 0.064 0.000 2.301 248 A HA 0.471 4.794 4.320 0.005 0.000 0.312 248 A C -0.484 177.081 177.584 -0.033 0.000 1.182 248 A CA -0.449 51.589 52.037 0.001 0.000 0.826 248 A CB 0.794 19.776 19.000 -0.030 0.000 1.134 248 A HN 0.969 nan 8.150 nan 0.000 0.501 249 D N 0.651 121.021 120.400 -0.050 0.000 3.106 249 D HA 0.016 4.660 4.640 0.005 0.000 0.216 249 D C 1.224 177.499 176.300 -0.042 0.000 1.540 249 D CA 0.407 54.387 54.000 -0.032 0.000 1.389 249 D CB -0.169 40.627 40.800 -0.006 0.000 1.080 249 D HN 0.400 nan 8.370 nan 0.000 0.270 250 E N 0.346 120.524 120.200 -0.036 0.000 2.265 250 E HA -0.018 4.336 4.350 0.005 0.000 0.196 250 E C 1.956 178.535 176.600 -0.035 0.000 0.996 250 E CA 0.863 57.245 56.400 -0.029 0.000 0.832 250 E CB -0.098 29.572 29.700 -0.050 0.000 0.756 250 E HN 0.113 nan 8.360 nan 0.000 0.491 251 S N -0.057 115.608 115.700 -0.058 0.000 2.447 251 S HA 0.005 4.478 4.470 0.005 0.000 0.233 251 S C 0.749 175.299 174.600 -0.083 0.000 1.006 251 S CA 0.445 58.608 58.200 -0.062 0.000 0.957 251 S CB -0.032 63.126 63.200 -0.071 0.000 0.773 251 S HN 0.182 nan 8.310 nan 0.000 0.507 252 I N 1.855 122.355 120.570 -0.116 0.000 2.291 252 I HA 0.208 4.381 4.170 0.005 0.000 0.290 252 I C 0.565 176.661 176.117 -0.036 0.000 1.050 252 I CA 0.087 61.308 61.300 -0.132 0.000 1.245 252 I CB 0.962 38.820 38.000 -0.237 0.000 1.405 252 I HN 0.081 nan 8.210 nan 0.000 0.478 253 E N 4.144 124.350 120.200 0.010 0.000 2.660 253 E HA 0.161 4.514 4.350 0.005 0.000 0.216 253 E C -0.429 176.204 176.600 0.055 0.000 0.986 253 E CA -0.137 56.310 56.400 0.079 0.000 1.037 253 E CB 0.802 30.602 29.700 0.166 0.000 1.041 253 E HN 0.736 nan 8.360 nan 0.000 0.480 254 S N -2.242 113.468 115.700 0.016 0.000 2.627 254 S HA 0.134 4.607 4.470 0.005 0.000 0.268 254 S C 0.527 175.134 174.600 0.012 0.000 1.130 254 S CA -0.777 57.433 58.200 0.016 0.000 0.819 254 S CB 1.109 64.320 63.200 0.019 0.000 1.100 254 S HN -0.148 nan 8.310 nan 0.000 0.465 255 V N 1.329 121.259 119.914 0.026 0.000 2.427 255 V HA -0.097 4.026 4.120 0.005 0.000 0.248 255 V C 2.401 178.544 176.094 0.081 0.000 1.051 255 V CA 2.442 64.772 62.300 0.049 0.000 1.048 255 V CB -1.177 30.675 31.823 0.049 0.000 0.666 255 V HN 0.918 nan 8.190 nan 0.000 0.456 256 E N 0.013 120.254 120.200 0.068 0.000 2.204 256 E HA -0.176 4.178 4.350 0.005 0.000 0.194 256 E C 1.867 178.549 176.600 0.137 0.000 0.989 256 E CA 1.093 57.556 56.400 0.104 0.000 0.824 256 E CB -0.284 29.452 29.700 0.059 0.000 0.756 256 E HN 0.547 nan 8.360 nan 0.000 0.477 257 D N 0.021 120.460 120.400 0.066 0.000 2.144 257 D HA -0.075 4.568 4.640 0.005 0.000 0.200 257 D C 1.839 178.137 176.300 -0.004 0.000 0.978 257 D CA 1.331 55.346 54.000 0.026 0.000 0.833 257 D CB -0.269 40.519 40.800 -0.021 0.000 0.961 257 D HN 0.206 nan 8.370 nan 0.000 0.470 258 A N 0.364 123.172 122.820 -0.020 0.000 1.902 258 A HA -0.176 4.147 4.320 0.005 0.000 0.217 258 A C 2.112 179.823 177.584 0.210 0.000 1.181 258 A CA 1.045 53.057 52.037 -0.042 0.000 0.623 258 A CB -1.003 18.020 19.000 0.037 0.000 0.818 258 A HN 0.273 nan 8.150 nan 0.000 0.443 259 F N 0.819 120.834 119.950 0.108 0.000 2.095 259 F HA -0.157 4.374 4.527 0.008 0.000 0.298 259 F C 2.671 178.533 175.800 0.103 0.000 1.104 259 F CA 1.847 59.914 58.000 0.112 0.000 1.232 259 F CB -0.631 38.410 39.000 0.068 0.000 0.987 259 F HN 0.219 nan 8.300 nan 0.000 0.475 260 S N 0.488 116.215 115.700 0.046 0.000 2.359 260 S HA -0.215 4.259 4.470 0.005 0.000 0.223 260 S C 2.136 176.691 174.600 -0.075 0.000 1.039 260 S CA 1.895 60.078 58.200 -0.029 0.000 1.042 260 S CB -0.655 62.591 63.200 0.077 0.000 0.915 260 S HN 0.452 nan 8.310 nan 0.000 0.439 261 L N 0.818 122.045 121.223 0.006 0.000 2.131 261 L HA -0.062 4.281 4.340 0.005 0.000 0.210 261 L C 2.800 179.738 176.870 0.113 0.000 1.092 261 L CA 1.095 55.978 54.840 0.071 0.000 0.759 261 L CB -0.599 41.513 42.059 0.089 0.000 0.903 261 L HN 0.387 nan 8.230 nan 0.000 0.435 262 A N 0.112 122.999 122.820 0.111 0.000 1.855 262 A HA -0.110 4.213 4.320 0.005 0.000 0.215 262 A C 2.540 180.028 177.584 -0.160 0.000 1.191 262 A CA 1.530 53.559 52.037 -0.013 0.000 0.613 262 A CB -0.755 18.222 19.000 -0.038 0.000 0.829 262 A HN 0.356 nan 8.150 nan 0.000 0.442 263 A N -0.372 122.241 122.820 -0.345 0.000 1.972 263 A HA -0.166 4.157 4.320 0.005 0.000 0.219 263 A C 1.672 179.166 177.584 -0.149 0.000 1.169 263 A CA 2.009 53.852 52.037 -0.323 0.000 0.635 263 A CB -0.491 18.194 19.000 -0.526 0.000 0.810 263 A HN 0.441 nan 8.150 nan 0.000 0.446 264 D N -1.376 118.961 120.400 -0.105 0.000 2.289 264 D HA 0.223 4.866 4.640 0.005 0.000 0.207 264 D C 1.350 177.634 176.300 -0.027 0.000 0.966 264 D CA 1.240 55.212 54.000 -0.046 0.000 0.868 264 D CB -0.113 40.674 40.800 -0.022 0.000 0.943 264 D HN 0.579 nan 8.370 nan 0.000 0.514 265 G N 0.384 109.169 108.800 -0.025 0.000 2.256 265 G HA2 -0.223 3.740 3.960 0.005 0.000 0.272 265 G HA3 -0.223 3.740 3.960 0.005 0.000 0.272 265 G C 0.925 175.832 174.900 0.011 0.000 1.076 265 G CA 0.477 45.568 45.100 -0.014 0.000 0.882 265 G HN 0.449 nan 8.290 nan 0.000 0.497 266 A N -1.305 121.539 122.820 0.040 0.000 2.208 266 A HA 0.796 5.119 4.320 0.005 0.000 0.209 266 A C 1.332 178.959 177.584 0.072 0.000 1.161 266 A CA 1.632 53.700 52.037 0.051 0.000 0.782 266 A CB 0.150 19.180 19.000 0.049 0.000 0.816 266 A HN 2.399 nan 8.150 nan 0.000 0.477 267 A N -1.314 121.564 122.820 0.097 0.000 2.594 267 A HA 0.534 4.857 4.320 0.005 0.000 0.296 267 A C 0.438 178.039 177.584 0.029 0.000 1.056 267 A CA 0.299 52.393 52.037 0.094 0.000 0.693 267 A CB -0.030 19.090 19.000 0.201 0.000 1.278 267 A HN 0.779 nan 8.150 nan 0.000 0.408 268 S N 0.076 115.770 115.700 -0.011 0.000 2.556 268 S HA 0.485 4.959 4.470 0.005 0.000 0.216 268 S C 0.276 174.844 174.600 -0.053 0.000 0.970 268 S CA 0.384 58.556 58.200 -0.046 0.000 0.912 268 S CB -0.582 62.610 63.200 -0.013 0.000 0.790 268 S HN 0.617 nan 8.310 nan 0.000 0.504 269 I N 1.031 121.587 120.570 -0.023 0.000 2.722 269 I HA 0.501 4.674 4.170 0.005 0.000 0.295 269 I C -1.448 174.815 176.117 0.243 0.000 1.161 269 I CA -0.883 60.434 61.300 0.029 0.000 1.032 269 I CB 2.053 40.005 38.000 -0.079 0.000 1.244 269 I HN -0.043 nan 8.210 nan 0.000 0.421 270 F N 3.084 123.056 119.950 0.036 0.000 2.495 270 F HA 0.699 5.227 4.527 0.002 0.000 0.327 270 F C 0.458 176.299 175.800 0.068 0.000 1.103 270 F CA -1.558 56.463 58.000 0.035 0.000 0.949 270 F CB 2.057 41.081 39.000 0.040 0.000 1.142 270 F HN 0.436 nan 8.300 nan 0.000 0.457 271 A N 4.997 127.953 122.820 0.226 0.000 2.301 271 A HA 0.676 4.999 4.320 0.005 0.000 0.298 271 A C -0.703 176.953 177.584 0.120 0.000 1.185 271 A CA -0.509 51.654 52.037 0.209 0.000 0.830 271 A CB 0.153 19.262 19.000 0.182 0.000 1.112 271 A HN 0.717 nan 8.150 nan 0.000 0.508 272 L N 2.973 124.240 121.223 0.073 0.000 2.265 272 L HA 0.424 4.767 4.340 0.005 0.000 0.289 272 L C -0.027 176.937 176.870 0.156 0.000 1.033 272 L CA -0.130 54.767 54.840 0.094 0.000 0.814 272 L CB 1.031 43.133 42.059 0.070 0.000 1.203 272 L HN 0.667 nan 8.230 nan 0.000 0.423 273 K N 4.013 124.479 120.400 0.111 0.000 2.507 273 K HA 0.312 4.635 4.320 0.005 0.000 0.252 273 K C 1.017 177.617 176.600 -0.001 0.000 0.943 273 K CA -0.532 55.796 56.287 0.069 0.000 0.808 273 K CB 2.676 35.172 32.500 -0.006 0.000 1.142 273 K HN 0.592 nan 8.250 nan 0.000 0.426 274 I N -0.195 120.364 120.570 -0.018 0.000 2.264 274 I HA -0.228 3.946 4.170 0.005 0.000 0.248 274 I C 1.877 177.889 176.117 -0.175 0.000 1.111 274 I CA 1.617 62.869 61.300 -0.080 0.000 1.382 274 I CB -0.225 37.713 38.000 -0.103 0.000 1.060 274 I HN 0.552 nan 8.210 nan 0.000 0.418 275 A N 1.515 124.151 122.820 -0.307 0.000 1.969 275 A HA -0.098 4.225 4.320 0.005 0.000 0.218 275 A C 2.216 179.342 177.584 -0.764 0.000 1.169 275 A CA 1.338 52.970 52.037 -0.675 0.000 0.635 275 A CB -0.380 17.973 19.000 -1.079 0.000 0.810 275 A HN 0.401 nan 8.150 nan 0.000 0.445 276 K N -0.462 119.680 120.400 -0.431 0.000 2.400 276 K HA 0.066 4.389 4.320 0.005 0.000 0.194 276 K C 0.584 177.140 176.600 -0.074 0.000 1.033 276 K CA 0.954 57.131 56.287 -0.185 0.000 1.021 276 K CB -0.222 32.236 32.500 -0.072 0.000 0.808 276 K HN 0.577 nan 8.250 nan 0.000 0.505 277 N N -0.790 117.860 118.700 -0.083 0.000 2.397 277 N HA 0.048 4.791 4.740 0.005 0.000 0.190 277 N C 0.686 176.180 175.510 -0.026 0.000 1.099 277 N CA 0.754 53.786 53.050 -0.030 0.000 0.876 277 N CB 1.347 39.831 38.487 -0.005 0.000 1.143 277 N HN 0.241 nan 8.380 nan 0.000 0.468 278 G N -0.872 107.896 108.800 -0.054 0.000 2.164 278 G HA2 0.247 4.210 3.960 0.005 0.000 0.154 278 G HA3 0.247 4.210 3.960 0.005 0.000 0.154 278 G C 0.258 175.138 174.900 -0.033 0.000 1.014 278 G CA -0.228 44.853 45.100 -0.032 0.000 0.683 278 G HN 0.700 nan 8.290 nan 0.000 0.500 279 G N -1.403 107.368 108.800 -0.050 0.000 2.347 279 G HA2 0.432 4.395 3.960 0.005 0.000 0.477 279 G HA3 0.432 4.395 3.960 0.005 0.000 0.477 279 G C -1.663 173.212 174.900 -0.043 0.000 1.349 279 G CA 0.198 45.270 45.100 -0.047 0.000 1.000 279 G HN 0.213 nan 8.290 nan 0.000 0.605 280 P HA -0.066 nan 4.420 nan 0.000 0.216 280 P C 1.963 179.251 177.300 -0.019 0.000 1.150 280 P CA 1.441 64.505 63.100 -0.060 0.000 0.837 280 P CB 0.041 31.696 31.700 -0.075 0.000 0.786 281 R N -0.712 119.781 120.500 -0.012 0.000 2.090 281 R HA 0.032 4.375 4.340 0.005 0.000 0.228 281 R C 2.310 178.621 176.300 0.017 0.000 1.110 281 R CA 1.350 57.453 56.100 0.005 0.000 0.973 281 R CB -0.967 29.333 30.300 0.000 0.000 0.869 281 R HN 0.134 nan 8.270 nan 0.000 0.440 282 A N 0.637 123.464 122.820 0.011 0.000 1.898 282 A HA -0.110 4.213 4.320 0.005 0.000 0.216 282 A C 2.258 179.867 177.584 0.041 0.000 1.181 282 A CA 1.215 53.264 52.037 0.020 0.000 0.620 282 A CB -0.685 18.319 19.000 0.007 0.000 0.819 282 A HN 0.183 nan 8.150 nan 0.000 0.442 283 V N 0.148 120.089 119.914 0.044 0.000 2.594 283 V HA -0.193 3.930 4.120 0.005 0.000 0.253 283 V C 2.304 178.470 176.094 0.120 0.000 1.069 283 V CA 1.860 64.214 62.300 0.090 0.000 1.082 283 V CB -0.429 31.466 31.823 0.119 0.000 0.680 283 V HN 0.587 nan 8.190 nan 0.000 0.469 284 L N -0.932 120.347 121.223 0.093 0.000 2.156 284 L HA -0.094 4.250 4.340 0.005 0.000 0.208 284 L C 2.716 179.639 176.870 0.087 0.000 1.095 284 L CA 1.309 56.206 54.840 0.096 0.000 0.770 284 L CB -0.553 41.548 42.059 0.070 0.000 0.914 284 L HN 0.234 nan 8.230 nan 0.000 0.439 285 R N -0.539 120.006 120.500 0.074 0.000 2.073 285 R HA -0.123 4.220 4.340 0.005 0.000 0.234 285 R C 2.305 178.667 176.300 0.105 0.000 1.134 285 R CA 1.871 58.015 56.100 0.074 0.000 0.952 285 R CB -0.514 29.819 30.300 0.056 0.000 0.850 285 R HN 0.264 nan 8.270 nan 0.000 0.433 286 T N 0.715 115.339 114.554 0.116 0.000 2.746 286 T HA -0.133 4.221 4.350 0.005 0.000 0.267 286 T C 1.852 176.673 174.700 0.201 0.000 1.039 286 T CA 1.423 63.619 62.100 0.160 0.000 1.142 286 T CB -0.180 68.767 68.868 0.131 0.000 0.866 286 T HN 0.382 nan 8.240 nan 0.000 0.444 287 A N 1.094 124.012 122.820 0.163 0.000 1.930 287 A HA -0.121 4.202 4.320 0.005 0.000 0.217 287 A C 2.242 179.892 177.584 0.110 0.000 1.175 287 A CA 1.379 53.502 52.037 0.145 0.000 0.627 287 A CB -0.546 18.531 19.000 0.129 0.000 0.815 287 A HN 0.529 nan 8.150 nan 0.000 0.443 288 Q N -0.532 119.329 119.800 0.103 0.000 2.119 288 Q HA -0.050 4.294 4.340 0.005 0.000 0.201 288 Q C 1.946 178.001 176.000 0.091 0.000 0.972 288 Q CA 1.378 57.230 55.803 0.081 0.000 0.847 288 Q CB -0.276 28.505 28.738 0.071 0.000 0.903 288 Q HN 0.728 nan 8.270 nan 0.000 0.433 289 I N 0.442 121.091 120.570 0.131 0.000 2.179 289 I HA -0.303 3.870 4.170 0.005 0.000 0.242 289 I C 2.352 178.534 176.117 0.108 0.000 1.088 289 I CA 1.052 62.452 61.300 0.166 0.000 1.357 289 I CB -0.336 37.815 38.000 0.252 0.000 1.051 289 I HN 0.195 nan 8.210 nan 0.000 0.409 290 A N 0.062 122.936 122.820 0.090 0.000 1.902 290 A HA -0.204 4.119 4.320 0.005 0.000 0.217 290 A C 2.235 179.772 177.584 -0.078 0.000 1.181 290 A CA 1.467 53.446 52.037 -0.097 0.000 0.623 290 A CB -0.469 18.444 19.000 -0.145 0.000 0.818 290 A HN 0.374 nan 8.150 nan 0.000 0.443 291 E N -0.197 119.997 120.200 -0.011 0.000 2.110 291 E HA -0.148 4.205 4.350 0.005 0.000 0.193 291 E C 2.278 178.874 176.600 -0.006 0.000 0.988 291 E CA 1.166 57.561 56.400 -0.009 0.000 0.804 291 E CB -0.375 29.333 29.700 0.014 0.000 0.745 291 E HN 0.592 nan 8.360 nan 0.000 0.458 292 A N 0.877 123.706 122.820 0.015 0.000 2.067 292 A HA 0.028 4.352 4.320 0.005 0.000 0.219 292 A C 2.161 179.749 177.584 0.007 0.000 1.158 292 A CA 1.524 53.575 52.037 0.024 0.000 0.661 292 A CB -0.105 18.929 19.000 0.056 0.000 0.801 292 A HN 0.229 nan 8.150 nan 0.000 0.452 293 A N -2.358 120.450 122.820 -0.021 0.000 2.252 293 A HA 0.456 4.779 4.320 0.005 0.000 0.213 293 A C 1.640 179.182 177.584 -0.069 0.000 1.188 293 A CA 1.094 53.101 52.037 -0.050 0.000 0.863 293 A CB -0.362 18.589 19.000 -0.082 0.000 0.893 293 A HN 1.786 nan 8.150 nan 0.000 0.495 294 G N -0.563 108.194 108.800 -0.071 0.000 2.131 294 G HA2 -0.180 3.783 3.960 0.005 0.000 0.223 294 G HA3 -0.180 3.783 3.960 0.005 0.000 0.223 294 G C -0.002 174.842 174.900 -0.095 0.000 0.990 294 G CA 0.119 45.179 45.100 -0.066 0.000 0.671 294 G HN 0.409 nan 8.290 nan 0.000 0.521 295 I N 1.774 122.246 120.570 -0.164 0.000 2.371 295 I HA 0.465 4.638 4.170 0.005 0.000 0.290 295 I C 1.455 177.480 176.117 -0.152 0.000 1.028 295 I CA -0.086 61.064 61.300 -0.250 0.000 1.345 295 I CB 1.183 38.826 38.000 -0.594 0.000 1.407 295 I HN 0.161 nan 8.210 nan 0.000 0.501 296 G N 6.817 115.592 108.800 -0.041 0.000 2.544 296 G HA2 0.455 4.418 3.960 0.005 0.000 0.242 296 G HA3 0.455 4.418 3.960 0.005 0.000 0.242 296 G C -0.463 174.512 174.900 0.124 0.000 1.247 296 G CA -0.466 44.685 45.100 0.087 0.000 0.840 296 G HN 0.464 nan 8.290 nan 0.000 0.578 297 L N 0.142 121.458 121.223 0.154 0.000 2.333 297 L HA 0.587 4.930 4.340 0.005 0.000 0.269 297 L C -0.969 176.053 176.870 0.253 0.000 1.010 297 L CA -1.104 53.829 54.840 0.156 0.000 0.818 297 L CB 2.271 44.356 42.059 0.044 0.000 1.306 297 L HN 0.578 nan 8.230 nan 0.000 0.430 298 Y N 0.024 120.325 120.300 0.002 0.000 2.441 298 Y HA 0.564 5.117 4.550 0.005 0.000 0.334 298 Y C -0.059 175.699 175.900 -0.236 0.000 1.061 298 Y CA -0.926 57.150 58.100 -0.040 0.000 1.032 298 Y CB 2.054 40.539 38.460 0.042 0.000 1.266 298 Y HN 0.525 nan 8.280 nan 0.000 0.441 299 G N 3.397 111.700 108.800 -0.827 0.000 2.391 299 G HA2 0.463 4.427 3.960 0.005 0.000 0.305 299 G HA3 0.463 4.427 3.960 0.005 0.000 0.305 299 G C 0.143 174.652 174.900 -0.652 0.000 1.072 299 G CA 0.097 44.560 45.100 -1.061 0.000 1.016 299 G HN 0.970 nan 8.290 nan 0.000 0.418 300 G N 0.250 108.893 108.800 -0.261 0.000 2.522 300 G HA2 0.626 4.589 3.960 0.005 0.000 0.304 300 G HA3 0.626 4.589 3.960 0.005 0.000 0.304 300 G C -0.475 174.457 174.900 0.053 0.000 1.210 300 G CA -0.278 44.774 45.100 -0.080 0.000 0.960 300 G HN 0.744 nan 8.290 nan 0.000 0.497 301 T N -0.897 113.679 114.554 0.036 0.000 2.853 301 T HA 0.419 4.772 4.350 0.005 0.000 0.311 301 T C -0.129 174.579 174.700 0.014 0.000 1.307 301 T CA -0.656 61.466 62.100 0.037 0.000 1.019 301 T CB 1.439 70.330 68.868 0.039 0.000 1.264 301 T HN 0.184 nan 8.240 nan 0.000 0.497 302 M N 3.733 123.341 119.600 0.012 0.000 2.756 302 M HA 0.399 4.883 4.480 0.005 0.000 0.320 302 M C 0.429 176.731 176.300 0.003 0.000 1.245 302 M CA 0.046 55.359 55.300 0.022 0.000 0.972 302 M CB -1.114 31.541 32.600 0.093 0.000 1.327 302 M HN 0.703 nan 8.290 nan 0.000 0.505 303 L N 0.552 121.769 121.223 -0.011 0.000 3.608 303 L HA -0.266 4.078 4.340 0.005 0.000 0.422 303 L C -0.251 176.625 176.870 0.009 0.000 1.260 303 L CA 0.305 55.135 54.840 -0.016 0.000 0.889 303 L CB -1.732 40.291 42.059 -0.059 0.000 1.821 303 L HN 0.343 nan 8.230 nan 0.000 0.884 304 E N -0.023 120.193 120.200 0.027 0.000 2.374 304 E HA 0.465 4.818 4.350 0.005 0.000 0.260 304 E C 1.020 177.644 176.600 0.040 0.000 1.101 304 E CA 0.533 56.953 56.400 0.033 0.000 0.907 304 E CB 0.604 30.322 29.700 0.029 0.000 1.014 304 E HN 0.277 nan 8.360 nan 0.000 0.427 305 G N 0.037 108.858 108.800 0.036 0.000 2.489 305 G HA2 -0.015 3.948 3.960 0.005 0.000 0.271 305 G HA3 -0.015 3.948 3.960 0.005 0.000 0.271 305 G C 0.727 175.661 174.900 0.056 0.000 1.427 305 G CA -0.261 44.865 45.100 0.043 0.000 1.057 305 G HN 0.456 nan 8.290 nan 0.000 0.532 306 S N -0.714 115.023 115.700 0.061 0.000 2.383 306 S HA -0.124 4.349 4.470 0.005 0.000 0.229 306 S C 2.370 176.996 174.600 0.043 0.000 1.030 306 S CA 1.085 59.323 58.200 0.064 0.000 1.002 306 S CB -0.348 62.891 63.200 0.065 0.000 0.829 306 S HN 0.430 nan 8.310 nan 0.000 0.467 307 I N 1.298 121.887 120.570 0.031 0.000 2.142 307 I HA -0.155 4.018 4.170 0.005 0.000 0.240 307 I C 2.733 178.853 176.117 0.005 0.000 1.078 307 I CA 1.400 62.709 61.300 0.016 0.000 1.343 307 I CB -0.892 37.116 38.000 0.013 0.000 1.046 307 I HN 0.380 nan 8.210 nan 0.000 0.405 308 G N -0.209 108.595 108.800 0.008 0.000 2.421 308 G HA2 -0.158 3.806 3.960 0.005 0.000 0.217 308 G HA3 -0.158 3.806 3.960 0.005 0.000 0.217 308 G C 1.649 176.540 174.900 -0.016 0.000 1.143 308 G CA 1.065 46.160 45.100 -0.008 0.000 0.784 308 G HN 0.275 nan 8.290 nan 0.000 0.541 309 T N 1.493 116.055 114.554 0.014 0.000 2.737 309 T HA -0.003 4.351 4.350 0.005 0.000 0.265 309 T C 2.274 176.970 174.700 -0.007 0.000 1.038 309 T CA 0.477 62.590 62.100 0.022 0.000 1.144 309 T CB -0.107 68.806 68.868 0.075 0.000 0.866 309 T HN -0.001 nan 8.240 nan 0.000 0.434 310 L N 0.890 122.125 121.223 0.020 0.000 2.156 310 L HA 0.066 4.410 4.340 0.005 0.000 0.208 310 L C 2.926 179.860 176.870 0.106 0.000 1.095 310 L CA 1.417 56.302 54.840 0.075 0.000 0.770 310 L CB -1.480 40.647 42.059 0.113 0.000 0.914 310 L HN 0.255 nan 8.230 nan 0.000 0.439 311 A N -0.741 122.076 122.820 -0.004 0.000 1.933 311 A HA -0.154 4.169 4.320 0.005 0.000 0.218 311 A C 2.546 180.037 177.584 -0.156 0.000 1.175 311 A CA 1.860 53.859 52.037 -0.064 0.000 0.628 311 A CB -0.358 18.596 19.000 -0.076 0.000 0.814 311 A HN 0.427 nan 8.150 nan 0.000 0.444 312 S N -0.005 115.549 115.700 -0.243 0.000 2.338 312 S HA 0.015 4.488 4.470 0.005 0.000 0.218 312 S C 2.403 176.486 174.600 -0.862 0.000 1.032 312 S CA 1.107 58.955 58.200 -0.587 0.000 0.999 312 S CB -0.647 62.296 63.200 -0.428 0.000 0.905 312 S HN 0.812 nan 8.310 nan 0.000 0.439 313 A N 1.566 124.131 122.820 -0.425 0.000 1.903 313 A HA -0.255 4.069 4.320 0.005 0.000 0.219 313 A C 1.793 179.233 177.584 -0.240 0.000 1.191 313 A CA 2.245 54.124 52.037 -0.262 0.000 0.638 313 A CB -1.192 17.722 19.000 -0.144 0.000 0.823 313 A HN 0.596 nan 8.150 nan 0.000 0.451 314 H N -0.840 118.111 119.070 -0.199 0.000 2.457 314 H HA 0.056 4.615 4.556 0.005 0.000 0.297 314 H C 2.310 177.564 175.328 -0.124 0.000 1.092 314 H CA 1.538 57.510 56.048 -0.126 0.000 1.309 314 H CB -0.040 29.659 29.762 -0.104 0.000 1.382 314 H HN 0.556 nan 8.280 nan 0.000 0.535 315 A N -0.089 122.656 122.820 -0.124 0.000 1.935 315 A HA -0.040 4.284 4.320 0.005 0.000 0.214 315 A C 1.458 179.070 177.584 0.046 0.000 1.178 315 A CA 0.681 52.665 52.037 -0.088 0.000 0.640 315 A CB -0.359 18.533 19.000 -0.180 0.000 0.825 315 A HN 0.270 nan 8.150 nan 0.000 0.447 316 F N 0.479 120.426 119.950 -0.005 0.000 2.365 316 F HA 0.033 4.564 4.527 0.006 0.000 0.300 316 F C 1.841 177.623 175.800 -0.031 0.000 1.090 316 F CA 0.026 58.014 58.000 -0.020 0.000 1.408 316 F CB -0.929 38.047 39.000 -0.039 0.000 1.060 316 F HN 0.102 nan 8.300 nan 0.000 0.534 317 L N -0.207 121.079 121.223 0.104 0.000 2.291 317 L HA -0.135 4.209 4.340 0.005 0.000 0.214 317 L C 2.327 179.220 176.870 0.039 0.000 1.120 317 L CA 1.570 56.430 54.840 0.033 0.000 0.799 317 L CB -1.054 40.980 42.059 -0.041 0.000 0.925 317 L HN 0.235 nan 8.230 nan 0.000 0.446 318 T N -3.016 111.574 114.554 0.060 0.000 3.088 318 T HA 0.061 4.414 4.350 0.005 0.000 0.259 318 T C 0.722 175.454 174.700 0.053 0.000 1.122 318 T CA -0.181 61.949 62.100 0.050 0.000 1.095 318 T CB -0.086 68.813 68.868 0.052 0.000 0.930 318 T HN -0.118 nan 8.240 nan 0.000 0.508 319 L N 2.555 123.821 121.223 0.072 0.000 2.416 319 L HA 0.412 4.756 4.340 0.005 0.000 0.272 319 L C 1.728 178.614 176.870 0.027 0.000 1.161 319 L CA -0.200 54.674 54.840 0.058 0.000 0.845 319 L CB 0.590 42.692 42.059 0.071 0.000 1.119 319 L HN 0.177 nan 8.230 nan 0.000 0.464 320 R N 2.102 122.612 120.500 0.017 0.000 2.083 320 R HA -0.115 4.229 4.340 0.005 0.000 0.237 320 R C 0.288 176.581 176.300 -0.012 0.000 1.137 320 R CA 1.463 57.564 56.100 0.001 0.000 0.951 320 R CB 0.263 30.562 30.300 -0.001 0.000 0.851 320 R HN 0.754 nan 8.270 nan 0.000 0.434 321 Q N -0.615 119.175 119.800 -0.017 0.000 2.353 321 Q HA 0.320 4.663 4.340 0.005 0.000 0.275 321 Q C -1.928 174.047 176.000 -0.041 0.000 1.029 321 Q CA -0.535 55.245 55.803 -0.038 0.000 0.848 321 Q CB 1.978 30.684 28.738 -0.054 0.000 1.390 321 Q HN 0.235 nan 8.270 nan 0.000 0.401 322 L N 3.779 124.967 121.223 -0.057 0.000 2.457 322 L HA 0.288 4.631 4.340 0.005 0.000 0.252 322 L C 0.863 177.686 176.870 -0.078 0.000 1.132 322 L CA -0.154 54.656 54.840 -0.052 0.000 0.938 322 L CB 1.227 43.241 42.059 -0.074 0.000 1.246 322 L HN 0.847 nan 8.230 nan 0.000 0.476 323 T N -0.311 114.156 114.554 -0.144 0.000 2.680 323 T HA -0.236 4.117 4.350 0.005 0.000 0.268 323 T C 0.802 175.165 174.700 -0.561 0.000 1.033 323 T CA 2.140 63.989 62.100 -0.419 0.000 1.152 323 T CB -0.186 68.323 68.868 -0.597 0.000 0.859 323 T HN 0.564 nan 8.240 nan 0.000 0.452 324 W N 1.261 122.589 121.300 0.047 0.000 3.102 324 W HA 0.514 5.176 4.660 0.005 0.000 0.401 324 W C 1.412 178.064 176.519 0.221 0.000 1.070 324 W CA -0.134 57.267 57.345 0.093 0.000 1.921 324 W CB -0.305 29.173 29.460 0.031 0.000 1.118 324 W HN 0.579 nan 8.180 nan 0.000 0.647 325 G N 1.262 110.200 108.800 0.230 0.000 2.562 325 G HA2 -0.116 3.847 3.960 0.005 0.000 0.250 325 G HA3 -0.116 3.847 3.960 0.005 0.000 0.250 325 G C 0.083 174.976 174.900 -0.013 0.000 1.269 325 G CA 0.328 45.506 45.100 0.130 0.000 0.919 325 G HN 0.439 nan 8.290 nan 0.000 0.574 326 T N -3.037 111.449 114.554 -0.114 0.000 2.778 326 T HA 0.733 5.087 4.350 0.005 0.000 0.293 326 T C 0.001 174.556 174.700 -0.241 0.000 1.144 326 T CA 0.463 62.313 62.100 -0.416 0.000 1.010 326 T CB 2.015 70.784 68.868 -0.165 0.000 1.325 326 T HN 1.615 nan 8.240 nan 0.000 0.515 327 E N 0.763 120.815 120.200 -0.246 0.000 3.306 327 E HA 0.295 4.649 4.350 0.005 0.000 0.197 327 E C -0.355 176.282 176.600 0.061 0.000 0.980 327 E CA -0.531 55.861 56.400 -0.015 0.000 1.259 327 E CB -0.151 29.566 29.700 0.028 0.000 1.112 327 E HN 0.508 nan 8.360 nan 0.000 0.458 328 L N 2.722 124.015 121.223 0.116 0.000 2.376 328 L HA 0.234 4.578 4.340 0.005 0.000 0.250 328 L C 1.017 178.069 176.870 0.303 0.000 1.335 328 L CA 0.102 55.050 54.840 0.179 0.000 1.214 328 L CB -0.556 41.605 42.059 0.169 0.000 1.395 328 L HN 0.503 nan 8.230 nan 0.000 0.424 329 I N -3.618 117.091 120.570 0.232 0.000 4.082 329 I HA 0.292 4.465 4.170 0.005 0.000 0.337 329 I C 1.987 178.205 176.117 0.168 0.000 1.352 329 I CA 0.079 61.525 61.300 0.244 0.000 1.097 329 I CB 0.099 38.258 38.000 0.265 0.000 1.048 329 I HN 0.310 nan 8.210 nan 0.000 0.393 330 G N 3.219 112.096 108.800 0.127 0.000 2.606 330 G HA2 -0.227 3.736 3.960 0.005 0.000 0.221 330 G HA3 -0.227 3.736 3.960 0.005 0.000 0.221 330 G C -0.489 174.468 174.900 0.095 0.000 1.152 330 G CA 1.607 46.756 45.100 0.082 0.000 0.765 330 G HN 0.376 nan 8.290 nan 0.000 0.595 331 P HA 0.005 nan 4.420 nan 0.000 0.220 331 P C 1.888 179.247 177.300 0.099 0.000 1.148 331 P CA 0.589 63.769 63.100 0.133 0.000 0.803 331 P CB -0.117 31.715 31.700 0.220 0.000 0.782 332 L N -2.139 119.128 121.223 0.073 0.000 2.362 332 L HA -0.108 4.235 4.340 0.005 0.000 0.219 332 L C 1.551 178.515 176.870 0.157 0.000 1.134 332 L CA 0.707 55.581 54.840 0.056 0.000 0.807 332 L CB -0.581 41.478 42.059 0.001 0.000 0.927 332 L HN -0.004 nan 8.230 nan 0.000 0.447 333 L N -0.908 120.395 121.223 0.134 0.000 2.529 333 L HA 0.141 4.484 4.340 0.005 0.000 0.223 333 L C 0.598 177.497 176.870 0.049 0.000 1.113 333 L CA 0.751 55.651 54.840 0.101 0.000 0.861 333 L CB -0.199 41.878 42.059 0.031 0.000 1.012 333 L HN 0.069 nan 8.230 nan 0.000 0.461 334 L N -0.983 120.260 121.223 0.034 0.000 2.325 334 L HA 0.284 4.627 4.340 0.005 0.000 0.279 334 L C 1.489 178.359 176.870 0.001 0.000 1.054 334 L CA -0.131 54.706 54.840 -0.005 0.000 0.804 334 L CB 1.259 43.304 42.059 -0.023 0.000 1.200 334 L HN 0.094 nan 8.230 nan 0.000 0.436 335 T N -2.658 111.882 114.554 -0.024 0.000 3.051 335 T HA 0.193 4.546 4.350 0.005 0.000 0.255 335 T C 0.493 175.188 174.700 -0.010 0.000 1.085 335 T CA 0.123 62.221 62.100 -0.004 0.000 1.109 335 T CB 0.224 69.093 68.868 0.003 0.000 0.921 335 T HN 0.475 nan 8.240 nan 0.000 0.488 336 E N 0.736 120.892 120.200 -0.073 0.000 2.317 336 E HA 0.531 4.884 4.350 0.005 0.000 0.270 336 E C -0.776 175.770 176.600 -0.089 0.000 0.885 336 E CA -0.574 55.787 56.400 -0.066 0.000 0.760 336 E CB 2.554 32.151 29.700 -0.171 0.000 1.227 336 E HN 0.296 nan 8.360 nan 0.000 0.434 337 E N 1.037 121.239 120.200 0.003 0.000 2.355 337 E HA 0.351 4.704 4.350 0.005 0.000 0.261 337 E C 0.413 177.055 176.600 0.069 0.000 0.943 337 E CA -0.673 55.737 56.400 0.017 0.000 0.806 337 E CB 1.732 31.457 29.700 0.041 0.000 1.286 337 E HN 0.421 nan 8.360 nan 0.000 0.424 338 I N -1.806 118.803 120.570 0.065 0.000 4.025 338 I HA 0.155 4.329 4.170 0.005 0.000 0.336 338 I C 0.272 176.431 176.117 0.069 0.000 1.390 338 I CA -0.383 60.973 61.300 0.093 0.000 1.099 338 I CB 0.547 38.604 38.000 0.096 0.000 1.049 338 I HN 0.102 nan 8.210 nan 0.000 0.394 339 V N -2.281 117.668 119.914 0.058 0.000 3.019 339 V HA 0.608 4.731 4.120 0.005 0.000 0.317 339 V C 0.545 176.668 176.094 0.048 0.000 1.094 339 V CA -0.516 61.812 62.300 0.047 0.000 1.000 339 V CB 1.593 33.440 31.823 0.041 0.000 1.060 339 V HN 0.107 nan 8.190 nan 0.000 0.443 340 N N 0.245 118.968 118.700 0.039 0.000 2.415 340 N HA 0.063 4.806 4.740 0.005 0.000 0.176 340 N C -0.147 175.384 175.510 0.034 0.000 1.042 340 N CA 0.472 53.543 53.050 0.036 0.000 0.902 340 N CB 0.311 38.815 38.487 0.028 0.000 0.986 340 N HN 0.804 nan 8.380 nan 0.000 0.447 341 E N 1.827 122.047 120.200 0.034 0.000 2.081 341 E HA 0.257 4.610 4.350 0.005 0.000 0.276 341 E C -2.243 174.381 176.600 0.041 0.000 0.950 341 E CA -1.760 54.659 56.400 0.032 0.000 0.776 341 E CB 1.324 31.041 29.700 0.027 0.000 1.094 341 E HN 0.180 nan 8.360 nan 0.000 0.402 342 P HA 0.263 nan 4.420 nan 0.000 0.278 342 P C -2.437 174.900 177.300 0.063 0.000 1.238 342 P CA -1.512 61.627 63.100 0.064 0.000 0.794 342 P CB 0.486 32.224 31.700 0.064 0.000 0.955 343 P HA 0.227 nan 4.420 nan 0.000 0.272 343 P C -0.655 176.652 177.300 0.011 0.000 1.223 343 P CA -0.078 63.039 63.100 0.028 0.000 0.784 343 P CB 0.381 32.126 31.700 0.076 0.000 0.923 344 Q N 1.325 121.058 119.800 -0.110 0.000 2.430 344 Q HA 0.311 4.654 4.340 0.005 0.000 0.245 344 Q C -1.136 174.802 176.000 -0.104 0.000 1.021 344 Q CA -0.157 55.613 55.803 -0.056 0.000 0.867 344 Q CB 0.437 29.151 28.738 -0.041 0.000 1.210 344 Q HN 0.447 nan 8.270 nan 0.000 0.487 345 Y N 2.875 123.210 120.300 0.059 0.000 2.369 345 Y HA 0.390 4.943 4.550 0.005 0.000 0.337 345 Y C 0.092 175.985 175.900 -0.013 0.000 0.961 345 Y CA -0.689 57.436 58.100 0.041 0.000 1.186 345 Y CB 0.949 39.388 38.460 -0.035 0.000 1.139 345 Y HN 0.472 nan 8.280 nan 0.000 0.494 346 R N 1.249 121.853 120.500 0.172 0.000 2.643 346 R HA 0.426 4.769 4.340 0.005 0.000 0.269 346 R C -1.464 174.875 176.300 0.066 0.000 1.037 346 R CA -0.919 55.192 56.100 0.018 0.000 0.894 346 R CB 1.453 31.694 30.300 -0.098 0.000 1.238 346 R HN 0.527 nan 8.270 nan 0.000 0.459 347 D N 2.622 122.915 120.400 -0.178 0.000 2.697 347 D HA -0.203 4.441 4.640 0.005 0.000 0.238 347 D C -0.518 175.711 176.300 -0.119 0.000 1.152 347 D CA 1.633 55.465 54.000 -0.280 0.000 0.666 347 D CB -0.841 39.934 40.800 -0.043 0.000 1.037 347 D HN 0.724 nan 8.370 nan 0.000 0.423 348 F N -2.873 117.060 119.950 -0.028 0.000 2.871 348 F HA -0.336 4.195 4.527 0.006 0.000 0.326 348 F C 1.103 176.893 175.800 -0.017 0.000 0.675 348 F CA 1.293 59.264 58.000 -0.049 0.000 1.188 348 F CB -1.879 37.105 39.000 -0.027 0.000 1.567 348 F HN 0.267 nan 8.300 nan 0.000 0.325 349 Q N -0.421 119.438 119.800 0.099 0.000 2.528 349 Q HA 0.768 5.111 4.340 0.005 0.000 0.289 349 Q C -1.179 174.722 176.000 -0.165 0.000 1.091 349 Q CA -1.476 54.295 55.803 -0.053 0.000 0.797 349 Q CB 2.693 31.288 28.738 -0.239 0.000 1.466 349 Q HN 0.122 nan 8.270 nan 0.000 0.436 350 L N 1.067 122.114 121.223 -0.294 0.000 2.307 350 L HA 0.376 4.719 4.340 0.005 0.000 0.284 350 L C -1.248 175.322 176.870 -0.500 0.000 1.023 350 L CA -0.076 54.502 54.840 -0.437 0.000 0.810 350 L CB 0.939 42.783 42.059 -0.357 0.000 1.231 350 L HN 0.527 nan 8.230 nan 0.000 0.423 351 H N 6.340 125.266 119.070 -0.240 0.000 2.459 351 H HA 0.452 5.012 4.556 0.006 0.000 0.332 351 H C -0.745 174.486 175.328 -0.162 0.000 1.094 351 H CA -0.756 55.197 56.048 -0.157 0.000 1.224 351 H CB 1.877 31.567 29.762 -0.120 0.000 1.449 351 H HN 0.417 nan 8.280 nan 0.000 0.484 352 I N 5.732 126.259 120.570 -0.072 0.000 2.362 352 I HA 0.192 4.365 4.170 0.005 0.000 0.289 352 I C -1.981 174.093 176.117 -0.071 0.000 0.994 352 I CA -2.388 58.837 61.300 -0.126 0.000 1.158 352 I CB 1.275 39.105 38.000 -0.284 0.000 1.315 352 I HN 0.337 nan 8.210 nan 0.000 0.451 353 P HA 0.314 nan 4.420 nan 0.000 0.274 353 P C -0.182 177.132 177.300 0.023 0.000 1.256 353 P CA -0.541 62.561 63.100 0.002 0.000 0.795 353 P CB 1.071 32.780 31.700 0.015 0.000 1.038 354 R N -0.363 120.152 120.500 0.025 0.000 2.702 354 R HA 0.170 4.513 4.340 0.005 0.000 0.314 354 R C 0.529 176.855 176.300 0.043 0.000 1.152 354 R CA -0.083 56.040 56.100 0.038 0.000 1.097 354 R CB -0.378 29.934 30.300 0.021 0.000 1.343 354 R HN 0.583 nan 8.270 nan 0.000 0.575 355 T N -1.399 113.185 114.554 0.050 0.000 2.882 355 T HA 0.317 4.670 4.350 0.005 0.000 0.287 355 T C -2.334 172.386 174.700 0.034 0.000 1.014 355 T CA -2.001 60.120 62.100 0.034 0.000 1.049 355 T CB 1.411 70.296 68.868 0.029 0.000 1.001 355 T HN -0.162 nan 8.240 nan 0.000 0.525 356 P HA 0.350 nan 4.420 nan 0.000 0.269 356 P C 1.170 178.448 177.300 -0.037 0.000 1.215 356 P CA 1.113 64.208 63.100 -0.009 0.000 0.780 356 P CB -0.059 31.635 31.700 -0.010 0.000 0.898 357 G N 1.198 109.955 108.800 -0.073 0.000 2.596 357 G HA2 -0.311 3.652 3.960 0.005 0.000 0.295 357 G HA3 -0.311 3.652 3.960 0.005 0.000 0.295 357 G C 0.436 175.189 174.900 -0.244 0.000 1.240 357 G CA 0.057 45.079 45.100 -0.130 0.000 0.985 357 G HN 0.480 nan 8.290 nan 0.000 0.555 358 L N 2.698 123.792 121.223 -0.215 0.000 2.492 358 L HA 0.395 4.739 4.340 0.005 0.000 0.223 358 L C 2.552 179.398 176.870 -0.040 0.000 1.132 358 L CA 2.149 56.846 54.840 -0.240 0.000 0.850 358 L CB -0.689 41.290 42.059 -0.134 0.000 0.966 358 L HN 2.268 nan 8.230 nan 0.000 0.454 359 G N -0.195 108.591 108.800 -0.023 0.000 2.176 359 G HA2 -0.262 3.702 3.960 0.005 0.000 0.252 359 G HA3 -0.262 3.702 3.960 0.005 0.000 0.252 359 G C 0.068 174.981 174.900 0.021 0.000 1.024 359 G CA 0.541 45.655 45.100 0.023 0.000 0.755 359 G HN 0.302 nan 8.290 nan 0.000 0.507 360 L N -0.158 121.069 121.223 0.007 0.000 2.371 360 L HA 0.889 5.232 4.340 0.005 0.000 0.262 360 L C 0.316 177.191 176.870 0.008 0.000 1.006 360 L CA -0.546 54.302 54.840 0.013 0.000 0.818 360 L CB 2.632 44.700 42.059 0.016 0.000 1.354 360 L HN 0.344 nan 8.230 nan 0.000 0.415 361 T N -0.922 113.641 114.554 0.014 0.000 2.912 361 T HA 0.632 4.986 4.350 0.005 0.000 0.299 361 T C -0.605 174.107 174.700 0.021 0.000 1.052 361 T CA -0.792 61.316 62.100 0.013 0.000 0.996 361 T CB 1.361 70.237 68.868 0.012 0.000 1.070 361 T HN 0.329 nan 8.240 nan 0.000 0.465 362 L N 2.166 123.402 121.223 0.021 0.000 2.397 362 L HA 0.372 4.715 4.340 0.005 0.000 0.271 362 L C 0.265 177.154 176.870 0.031 0.000 1.148 362 L CA -0.523 54.335 54.840 0.029 0.000 0.825 362 L CB 0.532 42.607 42.059 0.027 0.000 1.117 362 L HN 0.758 nan 8.230 nan 0.000 0.456 363 D N 2.500 122.926 120.400 0.042 0.000 2.428 363 D HA 0.041 4.684 4.640 0.005 0.000 0.221 363 D C 0.918 177.244 176.300 0.042 0.000 1.123 363 D CA -0.220 53.806 54.000 0.043 0.000 0.869 363 D CB 0.896 41.731 40.800 0.057 0.000 1.032 363 D HN 0.387 nan 8.370 nan 0.000 0.506 364 E N 2.604 122.821 120.200 0.028 0.000 2.160 364 E HA -0.227 4.126 4.350 0.005 0.000 0.195 364 E C 1.325 177.934 176.600 0.016 0.000 0.991 364 E CA 0.874 57.287 56.400 0.022 0.000 0.810 364 E CB 0.188 29.896 29.700 0.013 0.000 0.742 364 E HN 0.689 nan 8.360 nan 0.000 0.466 365 Q N 0.436 120.243 119.800 0.012 0.000 2.016 365 Q HA -0.076 4.267 4.340 0.005 0.000 0.200 365 Q C 2.301 178.290 176.000 -0.019 0.000 0.978 365 Q CA 1.050 56.848 55.803 -0.007 0.000 0.833 365 Q CB 0.066 28.801 28.738 -0.005 0.000 0.895 365 Q HN 0.132 nan 8.270 nan 0.000 0.427 366 R N 0.004 120.520 120.500 0.026 0.000 2.115 366 R HA -0.132 4.211 4.340 0.005 0.000 0.230 366 R C 2.311 178.689 176.300 0.130 0.000 1.111 366 R CA 0.729 56.872 56.100 0.072 0.000 0.976 366 R CB -0.252 30.175 30.300 0.212 0.000 0.870 366 R HN 0.209 nan 8.270 nan 0.000 0.445 367 L N 0.686 121.972 121.223 0.106 0.000 2.017 367 L HA -0.104 4.240 4.340 0.005 0.000 0.208 367 L C 2.216 179.125 176.870 0.066 0.000 1.073 367 L CA 2.039 56.944 54.840 0.108 0.000 0.745 367 L CB -0.618 41.483 42.059 0.070 0.000 0.894 367 L HN 0.090 nan 8.230 nan 0.000 0.432 368 A N -0.673 122.156 122.820 0.015 0.000 1.972 368 A HA -0.219 4.105 4.320 0.005 0.000 0.219 368 A C 2.526 180.073 177.584 -0.061 0.000 1.169 368 A CA 1.659 53.688 52.037 -0.014 0.000 0.635 368 A CB -0.635 18.352 19.000 -0.022 0.000 0.810 368 A HN 0.520 nan 8.150 nan 0.000 0.446 369 R N -1.826 118.587 120.500 -0.145 0.000 2.090 369 R HA -0.045 4.299 4.340 0.005 0.000 0.228 369 R C 0.872 176.932 176.300 -0.399 0.000 1.110 369 R CA 1.522 57.413 56.100 -0.349 0.000 0.973 369 R CB -0.183 29.766 30.300 -0.585 0.000 0.869 369 R HN 0.474 nan 8.270 nan 0.000 0.440 370 F N 0.151 120.109 119.950 0.014 0.000 2.695 370 F HA 0.397 4.927 4.527 0.006 0.000 0.303 370 F C 0.719 176.528 175.800 0.015 0.000 1.091 370 F CA -0.344 57.666 58.000 0.015 0.000 1.300 370 F CB 0.196 39.207 39.000 0.018 0.000 1.071 370 F HN -0.027 nan 8.300 nan 0.000 0.578 371 A N 1.610 124.515 122.820 0.142 0.000 2.425 371 A HA 0.541 4.864 4.320 0.005 0.000 0.249 371 A C 0.664 178.289 177.584 0.069 0.000 1.084 371 A CA -0.499 51.594 52.037 0.094 0.000 0.781 371 A CB 0.257 19.293 19.000 0.060 0.000 1.019 371 A HN 0.464 nan 8.150 nan 0.000 0.490 372 R N 0.000 120.536 120.500 0.060 0.000 2.786 372 R HA 0.000 4.343 4.340 0.005 0.000 0.208 372 R CA 0.000 56.127 56.100 0.045 0.000 0.921 372 R CB 0.000 30.328 30.300 0.046 0.000 0.687 372 R HN 0.000 nan 8.270 nan 0.000 0.535