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_A 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 -0.004 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 1.865 123.086 121.223 -0.003 0.000 2.319 5 L HA 0.654 4.997 4.340 0.006 0.000 0.267 5 L C 0.022 176.891 176.870 -0.003 0.000 1.011 5 L CA -0.525 54.314 54.840 -0.002 0.000 0.818 5 L CB 1.726 43.783 42.059 -0.002 0.000 1.316 5 L HN 0.678 nan 8.230 nan 0.000 0.432 6 I N 1.673 122.242 120.570 -0.002 0.000 2.379 6 I HA 0.082 4.255 4.170 0.006 0.000 0.290 6 I C 0.957 177.073 176.117 -0.001 0.000 1.063 6 I CA 0.260 61.559 61.300 -0.001 0.000 1.351 6 I CB 0.592 38.592 38.000 -0.000 0.000 1.410 6 I HN 0.725 nan 8.210 nan 0.000 0.505 7 E N 5.195 125.394 120.200 -0.001 0.000 2.099 7 E HA 0.136 4.489 4.350 0.006 0.000 0.191 7 E C 0.653 177.253 176.600 -0.001 0.000 0.962 7 E CA 0.337 56.736 56.400 -0.001 0.000 0.826 7 E CB 0.606 30.305 29.700 -0.001 0.000 0.788 7 E HN 0.473 nan 8.360 nan 0.000 0.461 8 R N 0.299 120.799 120.500 -0.000 0.000 2.643 8 R HA 0.465 4.809 4.340 0.006 0.000 0.269 8 R C -1.865 174.436 176.300 0.002 0.000 1.037 8 R CA -0.398 55.702 56.100 0.000 0.000 0.894 8 R CB 1.348 31.648 30.300 0.000 0.000 1.238 8 R HN -0.083 nan 8.270 nan 0.000 0.459 9 I N 2.836 123.408 120.570 0.003 0.000 2.499 9 I HA 0.356 4.530 4.170 0.006 0.000 0.288 9 I C -1.085 175.036 176.117 0.007 0.000 1.048 9 I CA -0.847 60.457 61.300 0.006 0.000 1.062 9 I CB 2.250 40.255 38.000 0.008 0.000 1.238 9 I HN 0.462 nan 8.210 nan 0.000 0.426 10 D N 5.511 125.917 120.400 0.010 0.000 2.498 10 D HA 0.571 5.214 4.640 0.006 0.000 0.247 10 D C -0.712 175.599 176.300 0.017 0.000 1.070 10 D CA -0.318 53.689 54.000 0.012 0.000 0.842 10 D CB 2.736 43.542 40.800 0.011 0.000 1.361 10 D HN 0.551 nan 8.370 nan 0.000 0.484 11 A N 3.027 125.859 122.820 0.019 0.000 2.273 11 A HA 0.606 4.929 4.320 0.006 0.000 0.315 11 A C -0.310 177.289 177.584 0.026 0.000 1.256 11 A CA -0.599 51.453 52.037 0.025 0.000 0.851 11 A CB 0.213 19.229 19.000 0.027 0.000 1.172 11 A HN 0.522 nan 8.150 nan 0.000 0.508 12 I N 3.628 124.216 120.570 0.030 0.000 2.362 12 I HA 0.320 4.493 4.170 0.006 0.000 0.289 12 I C -0.414 175.726 176.117 0.039 0.000 0.994 12 I CA -0.387 60.934 61.300 0.034 0.000 1.158 12 I CB 1.647 39.669 38.000 0.037 0.000 1.315 12 I HN 0.504 nan 8.210 nan 0.000 0.451 13 I N 6.805 127.398 120.570 0.039 0.000 2.416 13 I HA 0.260 4.433 4.170 0.006 0.000 0.288 13 I C -0.352 175.797 176.117 0.053 0.000 1.051 13 I CA -0.397 60.928 61.300 0.041 0.000 1.375 13 I CB 1.043 39.064 38.000 0.035 0.000 1.407 13 I HN 0.237 nan 8.210 nan 0.000 0.516 14 V N 5.591 125.538 119.914 0.055 0.000 2.540 14 V HA 0.330 4.453 4.120 0.006 0.000 0.302 14 V C -0.579 175.547 176.094 0.054 0.000 1.035 14 V CA -0.806 61.539 62.300 0.076 0.000 0.873 14 V CB 2.158 34.027 31.823 0.077 0.000 0.992 14 V HN 0.595 nan 8.190 nan 0.000 0.428 15 D N 5.182 125.627 120.400 0.076 0.000 2.414 15 D HA 0.506 5.149 4.640 0.006 0.000 0.232 15 D C -0.679 175.585 176.300 -0.060 0.000 1.070 15 D CA -0.093 53.925 54.000 0.030 0.000 0.839 15 D CB 2.262 43.098 40.800 0.060 0.000 1.079 15 D HN 0.302 nan 8.370 nan 0.000 0.521 16 L N 3.870 125.002 121.223 -0.152 0.000 2.325 16 L HA 0.423 4.767 4.340 0.006 0.000 0.278 16 L C -2.180 174.558 176.870 -0.220 0.000 1.023 16 L CA -1.902 52.733 54.840 -0.342 0.000 0.811 16 L CB 2.142 44.022 42.059 -0.298 0.000 1.249 16 L HN 0.055 nan 8.230 nan 0.000 0.431 17 P HA 0.166 nan 4.420 nan 0.000 0.278 17 P C -0.771 176.480 177.300 -0.082 0.000 1.238 17 P CA -0.246 62.788 63.100 -0.110 0.000 0.794 17 P CB 1.368 33.023 31.700 -0.074 0.000 0.955 18 T N -1.243 113.288 114.554 -0.038 0.000 2.938 18 T HA 0.448 4.801 4.350 0.006 0.000 0.285 18 T C 1.471 176.176 174.700 0.007 0.000 1.028 18 T CA -0.866 61.224 62.100 -0.017 0.000 1.005 18 T CB 0.722 69.581 68.868 -0.016 0.000 1.157 18 T HN 0.433 nan 8.240 nan 0.000 0.550 19 I N -2.818 117.769 120.570 0.029 0.000 3.251 19 I HA 0.379 4.552 4.170 0.006 0.000 0.277 19 I C 1.073 177.216 176.117 0.044 0.000 1.268 19 I CA -0.359 60.970 61.300 0.049 0.000 1.449 19 I CB -0.656 37.397 38.000 0.089 0.000 1.083 19 I HN 0.755 nan 8.210 nan 0.000 0.464 31 Q N 0.449 120.244 119.800 -0.008 0.000 2.391 31 Q HA 0.655 4.998 4.340 0.006 0.000 0.279 31 Q C -1.696 174.291 176.000 -0.022 0.000 1.028 31 Q CA -0.910 54.880 55.803 -0.020 0.000 0.836 31 Q CB 2.415 31.147 28.738 -0.010 0.000 1.414 31 Q HN 0.336 nan 8.270 nan 0.000 0.397 32 Q N 0.988 120.767 119.800 -0.035 0.000 2.316 32 Q HA 0.469 4.812 4.340 0.006 0.000 0.264 32 Q C -1.444 174.543 176.000 -0.022 0.000 0.987 32 Q CA -0.124 55.662 55.803 -0.028 0.000 0.852 32 Q CB 2.360 31.078 28.738 -0.033 0.000 1.287 32 Q HN 0.703 nan 8.270 nan 0.000 0.448 33 T N 4.818 119.370 114.554 -0.004 0.000 2.749 33 T HA 0.555 4.909 4.350 0.006 0.000 0.287 33 T C -0.744 173.967 174.700 0.018 0.000 0.970 33 T CA -0.445 61.660 62.100 0.008 0.000 0.980 33 T CB 0.300 69.176 68.868 0.014 0.000 0.924 33 T HN 0.391 nan 8.240 nan 0.000 0.456 34 L N 3.269 124.505 121.223 0.022 0.000 2.334 34 L HA 0.658 5.002 4.340 0.006 0.000 0.270 34 L C -0.213 176.682 176.870 0.042 0.000 1.018 34 L CA -0.820 54.041 54.840 0.034 0.000 0.811 34 L CB 1.747 43.823 42.059 0.028 0.000 1.271 34 L HN 0.359 nan 8.230 nan 0.000 0.443 35 V N 2.479 122.423 119.914 0.050 0.000 2.326 35 V HA 0.410 4.533 4.120 0.006 0.000 0.281 35 V C -0.355 175.767 176.094 0.047 0.000 1.015 35 V CA -0.737 61.592 62.300 0.049 0.000 0.823 35 V CB 1.698 33.554 31.823 0.055 0.000 1.009 35 V HN 0.424 nan 8.190 nan 0.000 0.436 36 V N 6.263 126.202 119.914 0.041 0.000 2.432 36 V HA 0.392 4.516 4.120 0.006 0.000 0.275 36 V C 0.004 176.116 176.094 0.031 0.000 1.043 36 V CA -0.458 61.864 62.300 0.036 0.000 0.925 36 V CB 1.522 33.368 31.823 0.038 0.000 0.985 36 V HN 0.500 nan 8.190 nan 0.000 0.466 37 L N 6.098 127.337 121.223 0.026 0.000 2.322 37 L HA 0.618 4.962 4.340 0.006 0.000 0.279 37 L C 0.119 176.998 176.870 0.015 0.000 1.036 37 L CA -0.247 54.606 54.840 0.021 0.000 0.807 37 L CB 1.660 43.731 42.059 0.020 0.000 1.226 37 L HN 0.623 nan 8.230 nan 0.000 0.433 38 R N 2.289 122.797 120.500 0.013 0.000 2.473 38 R HA 0.531 4.874 4.340 0.006 0.000 0.303 38 R C -1.168 175.136 176.300 0.006 0.000 1.002 38 R CA -0.565 55.540 56.100 0.009 0.000 0.884 38 R CB 2.257 32.564 30.300 0.011 0.000 1.173 38 R HN 0.280 nan 8.270 nan 0.000 0.464 39 V N 4.060 123.975 119.914 0.002 0.000 2.347 39 V HA 0.367 4.491 4.120 0.006 0.000 0.280 39 V C 0.092 176.185 176.094 -0.001 0.000 1.021 39 V CA -0.777 61.523 62.300 0.000 0.000 0.847 39 V CB 1.436 33.258 31.823 -0.002 0.000 0.990 39 V HN 0.544 nan 8.190 nan 0.000 0.444 40 R N 3.007 123.507 120.500 -0.000 0.000 2.254 40 R HA 0.590 4.934 4.340 0.006 0.000 0.318 40 R C -0.715 175.584 176.300 -0.002 0.000 1.031 40 R CA 0.024 56.123 56.100 -0.001 0.000 0.905 40 R CB 0.947 31.247 30.300 -0.000 0.000 1.050 40 R HN 0.784 nan 8.270 nan 0.000 0.456 41 C N 1.147 120.444 119.300 -0.003 0.000 2.397 41 C HA 0.242 4.705 4.460 0.006 0.000 0.343 41 C C 1.924 176.912 174.990 -0.003 0.000 1.188 41 C CA -0.572 58.443 59.018 -0.004 0.000 1.992 41 C CB 1.862 29.598 27.740 -0.005 0.000 2.358 41 C HN 1.027 nan 8.230 nan 0.000 0.518 42 S N 0.806 116.504 115.700 -0.003 0.000 2.440 42 S HA -0.190 4.283 4.470 0.006 0.000 0.238 42 S C 0.935 175.533 174.600 -0.003 0.000 1.010 42 S CA 1.852 60.050 58.200 -0.003 0.000 0.972 42 S CB -0.440 62.759 63.200 -0.002 0.000 0.774 42 S HN 0.914 nan 8.310 nan 0.000 0.501 43 D N 0.292 120.690 120.400 -0.004 0.000 2.319 43 D HA 0.247 4.891 4.640 0.006 0.000 0.230 43 D C 1.392 177.690 176.300 -0.004 0.000 1.094 43 D CA 0.519 54.517 54.000 -0.004 0.000 0.856 43 D CB -0.606 40.191 40.800 -0.004 0.000 0.915 43 D HN 0.558 nan 8.370 nan 0.000 0.517 44 G N -0.369 108.429 108.800 -0.003 0.000 2.199 44 G HA2 -0.283 3.680 3.960 0.006 0.000 0.254 44 G HA3 -0.283 3.680 3.960 0.006 0.000 0.254 44 G C 0.251 175.149 174.900 -0.004 0.000 0.982 44 G CA 0.260 45.358 45.100 -0.003 0.000 0.632 44 G HN 0.391 nan 8.290 nan 0.000 0.529 45 V N 1.066 120.977 119.914 -0.005 0.000 2.686 45 V HA 0.545 4.668 4.120 0.006 0.000 0.295 45 V C 0.522 176.612 176.094 -0.007 0.000 1.055 45 V CA 0.075 62.370 62.300 -0.007 0.000 1.050 45 V CB 1.767 33.584 31.823 -0.010 0.000 0.984 45 V HN 0.431 nan 8.190 nan 0.000 0.482 46 E N 2.305 122.500 120.200 -0.007 0.000 2.222 46 E HA 0.634 4.988 4.350 0.006 0.000 0.267 46 E C -0.325 176.269 176.600 -0.011 0.000 0.884 46 E CA -0.598 55.798 56.400 -0.007 0.000 0.764 46 E CB 2.005 31.703 29.700 -0.003 0.000 1.169 46 E HN 0.825 nan 8.360 nan 0.000 0.413 47 G N 3.919 112.713 108.800 -0.012 0.000 2.416 47 G HA2 0.569 4.533 3.960 0.006 0.000 0.329 47 G HA3 0.569 4.533 3.960 0.006 0.000 0.329 47 G C -0.423 174.470 174.900 -0.012 0.000 1.173 47 G CA -0.745 44.345 45.100 -0.018 0.000 0.929 47 G HN 0.579 nan 8.290 nan 0.000 0.475 48 I N 0.083 120.644 120.570 -0.016 0.000 2.530 48 I HA 0.949 5.122 4.170 0.006 0.000 0.297 48 I C 0.220 176.330 176.117 -0.012 0.000 1.011 48 I CA -1.044 60.252 61.300 -0.007 0.000 1.107 48 I CB 2.439 40.439 38.000 -0.000 0.000 1.285 48 I HN 0.616 nan 8.210 nan 0.000 0.436 49 G N 3.392 112.191 108.800 -0.002 0.000 2.733 49 G HA2 0.611 4.575 3.960 0.006 0.000 0.288 49 G HA3 0.611 4.575 3.960 0.006 0.000 0.288 49 G C -2.034 172.873 174.900 0.012 0.000 1.373 49 G CA -0.569 44.530 45.100 -0.002 0.000 0.895 49 G HN 0.824 nan 8.290 nan 0.000 0.479 50 E N -0.925 119.283 120.200 0.014 0.000 2.308 50 E HA 0.584 4.938 4.350 0.006 0.000 0.275 50 E C -1.212 175.415 176.600 0.046 0.000 0.890 50 E CA -1.043 55.375 56.400 0.030 0.000 0.754 50 E CB 2.088 31.804 29.700 0.026 0.000 1.207 50 E HN 0.741 nan 8.360 nan 0.000 0.426 51 A N 3.370 126.237 122.820 0.078 0.000 2.586 51 A HA 0.494 4.818 4.320 0.006 0.000 0.320 51 A C -0.812 176.878 177.584 0.175 0.000 1.281 51 A CA -0.428 51.693 52.037 0.141 0.000 0.775 51 A CB 1.100 20.189 19.000 0.149 0.000 1.122 51 A HN 0.426 nan 8.150 nan 0.000 0.470 52 T N 0.936 115.608 114.554 0.198 0.000 2.885 52 T HA 0.763 5.116 4.350 0.006 0.000 0.285 52 T C 0.002 174.875 174.700 0.288 0.000 1.019 52 T CA -0.332 61.873 62.100 0.175 0.000 1.010 52 T CB 1.831 70.755 68.868 0.094 0.000 1.022 52 T HN 0.634 nan 8.240 nan 0.000 0.466 53 T N 0.851 115.507 114.554 0.170 0.000 2.804 53 T HA 0.754 5.108 4.350 0.006 0.000 0.290 53 T C -1.481 173.248 174.700 0.049 0.000 1.099 53 T CA -0.692 61.506 62.100 0.164 0.000 1.011 53 T CB 0.798 69.622 68.868 -0.073 0.000 1.291 53 T HN 0.464 nan 8.240 nan 0.000 0.523 54 I N 1.448 122.025 120.570 0.011 0.000 2.433 54 I HA 0.536 4.710 4.170 0.006 0.000 0.292 54 I C 1.074 177.245 176.117 0.089 0.000 1.001 54 I CA -0.460 60.795 61.300 -0.074 0.000 1.119 54 I CB 1.686 39.449 38.000 -0.395 0.000 1.289 54 I HN 0.983 nan 8.210 nan 0.000 0.438 55 G N 4.250 113.102 108.800 0.087 0.000 2.272 55 G HA2 -0.050 3.913 3.960 0.006 0.000 0.280 55 G HA3 -0.050 3.913 3.960 0.006 0.000 0.280 55 G C 0.874 175.827 174.900 0.089 0.000 1.067 55 G CA 0.535 45.724 45.100 0.148 0.000 0.902 55 G HN 1.482 nan 8.290 nan 0.000 0.500 56 G N -0.657 108.163 108.800 0.034 0.000 3.729 56 G HA2 -0.337 3.626 3.960 0.006 0.000 0.327 56 G HA3 -0.337 3.626 3.960 0.006 0.000 0.327 56 G C 0.971 175.848 174.900 -0.038 0.000 1.293 56 G CA 0.973 46.070 45.100 -0.006 0.000 1.011 56 G HN 1.417 nan 8.290 nan 0.000 0.673 57 L N 1.514 122.712 121.223 -0.043 0.000 3.016 57 L HA 0.550 4.893 4.340 0.006 0.000 0.267 57 L C 2.605 179.405 176.870 -0.117 0.000 1.182 57 L CA 0.761 55.549 54.840 -0.086 0.000 0.997 57 L CB 0.568 42.582 42.059 -0.076 0.000 1.354 57 L HN 0.598 nan 8.230 nan 0.000 0.569 58 A N -0.528 122.237 122.820 -0.091 0.000 2.016 58 A HA -0.061 4.263 4.320 0.006 0.000 0.217 58 A C 1.232 178.557 177.584 -0.433 0.000 1.162 58 A CA 1.264 53.150 52.037 -0.252 0.000 0.662 58 A CB -0.250 18.589 19.000 -0.269 0.000 0.812 58 A HN 0.454 nan 8.150 nan 0.000 0.450 59 Y N -1.024 119.202 120.300 -0.123 0.000 2.660 59 Y HA 0.483 5.036 4.550 0.005 0.000 0.254 59 Y C 0.963 176.792 175.900 -0.120 0.000 1.176 59 Y CA -0.011 58.023 58.100 -0.111 0.000 1.195 59 Y CB 0.636 39.064 38.460 -0.053 0.000 1.190 59 Y HN 0.354 nan 8.280 nan 0.000 0.535 60 G N -2.158 106.570 108.800 -0.121 0.000 2.356 60 G HA2 0.126 4.089 3.960 0.006 0.000 0.294 60 G HA3 0.126 4.089 3.960 0.006 0.000 0.294 60 G C -0.874 173.832 174.900 -0.324 0.000 1.423 60 G CA -0.819 44.147 45.100 -0.224 0.000 0.806 60 G HN -0.038 nan 8.290 nan 0.000 0.527 61 Y N 0.139 120.372 120.300 -0.111 0.000 2.373 61 Y HA 0.172 4.724 4.550 0.005 0.000 0.293 61 Y C 1.495 177.303 175.900 -0.153 0.000 1.129 61 Y CA 0.982 59.022 58.100 -0.099 0.000 1.226 61 Y CB 0.289 38.722 38.460 -0.045 0.000 1.000 61 Y HN 0.377 nan 8.280 nan 0.000 0.549 62 E N 0.431 120.540 120.200 -0.152 0.000 2.175 62 E HA 0.355 4.708 4.350 0.006 0.000 0.278 62 E C -0.291 176.145 176.600 -0.273 0.000 0.969 62 E CA -0.524 55.742 56.400 -0.224 0.000 0.796 62 E CB 1.346 30.870 29.700 -0.293 0.000 1.104 62 E HN 0.085 nan 8.360 nan 0.000 0.395 63 S N 1.872 117.491 115.700 -0.136 0.000 2.718 63 S HA 0.406 4.880 4.470 0.006 0.000 0.300 63 S C -2.137 172.427 174.600 -0.061 0.000 1.117 63 S CA -1.493 56.650 58.200 -0.096 0.000 1.002 63 S CB 1.823 64.993 63.200 -0.051 0.000 1.092 63 S HN 0.130 nan 8.310 nan 0.000 0.542 64 P HA -0.031 nan 4.420 nan 0.000 0.216 64 P C 0.925 178.228 177.300 0.005 0.000 1.153 64 P CA 1.194 64.293 63.100 -0.003 0.000 0.848 64 P CB 0.013 31.717 31.700 0.007 0.000 0.787 65 E N -0.643 119.559 120.200 0.002 0.000 2.051 65 E HA -0.102 4.252 4.350 0.006 0.000 0.192 65 E C 2.284 178.892 176.600 0.012 0.000 0.991 65 E CA 1.630 58.035 56.400 0.009 0.000 0.799 65 E CB -1.411 28.293 29.700 0.007 0.000 0.748 65 E HN 0.208 nan 8.360 nan 0.000 0.449 66 G N 0.477 109.280 108.800 0.005 0.000 2.408 66 G HA2 -0.205 3.759 3.960 0.006 0.000 0.217 66 G HA3 -0.205 3.759 3.960 0.006 0.000 0.217 66 G C 1.635 176.550 174.900 0.024 0.000 1.150 66 G CA 0.603 45.711 45.100 0.013 0.000 0.776 66 G HN 0.151 nan 8.290 nan 0.000 0.542 67 I N 0.515 121.095 120.570 0.017 0.000 2.127 67 I HA -0.184 3.990 4.170 0.006 0.000 0.241 67 I C 2.702 178.846 176.117 0.045 0.000 1.075 67 I CA 1.727 63.049 61.300 0.037 0.000 1.334 67 I CB -0.149 37.876 38.000 0.042 0.000 1.040 67 I HN 0.174 nan 8.210 nan 0.000 0.405 68 K N 1.281 121.702 120.400 0.035 0.000 2.057 68 K HA -0.184 4.140 4.320 0.006 0.000 0.207 68 K C 2.190 178.809 176.600 0.032 0.000 1.049 68 K CA 1.522 57.828 56.287 0.032 0.000 0.931 68 K CB -0.168 32.348 32.500 0.026 0.000 0.714 68 K HN 0.277 nan 8.250 nan 0.000 0.440 69 A N 1.607 124.447 122.820 0.034 0.000 1.908 69 A HA -0.197 4.126 4.320 0.006 0.000 0.218 69 A C 1.860 179.481 177.584 0.062 0.000 1.181 69 A CA 1.857 53.916 52.037 0.037 0.000 0.627 69 A CB -0.679 18.345 19.000 0.041 0.000 0.818 69 A HN 0.427 nan 8.150 nan 0.000 0.445 70 N N -0.238 118.520 118.700 0.095 0.000 2.270 70 N HA -0.021 4.722 4.740 0.006 0.000 0.181 70 N C 1.689 177.274 175.510 0.125 0.000 1.016 70 N CA 1.217 54.368 53.050 0.170 0.000 0.870 70 N CB -0.284 38.283 38.487 0.133 0.000 0.979 70 N HN 0.562 nan 8.380 nan 0.000 0.431 71 I N 1.254 121.867 120.570 0.072 0.000 2.202 71 I HA -0.217 3.957 4.170 0.006 0.000 0.242 71 I C 1.487 177.617 176.117 0.021 0.000 1.091 71 I CA 1.077 62.407 61.300 0.050 0.000 1.368 71 I CB -0.110 37.916 38.000 0.042 0.000 1.058 71 I HN -0.054 nan 8.210 nan 0.000 0.410 72 D N 0.976 121.378 120.400 0.004 0.000 2.117 72 D HA -0.114 4.530 4.640 0.006 0.000 0.198 72 D C 2.135 178.390 176.300 -0.076 0.000 0.982 72 D CA 1.574 55.559 54.000 -0.025 0.000 0.828 72 D CB -0.072 40.716 40.800 -0.021 0.000 0.967 72 D HN 0.348 nan 8.370 nan 0.000 0.464 73 A N -0.331 122.406 122.820 -0.138 0.000 1.984 73 A HA -0.042 4.282 4.320 0.006 0.000 0.214 73 A C 1.648 178.910 177.584 -0.537 0.000 1.173 73 A CA 0.852 52.674 52.037 -0.358 0.000 0.673 73 A CB -0.084 18.625 19.000 -0.484 0.000 0.830 73 A HN 0.243 nan 8.150 nan 0.000 0.453 74 H N -1.271 117.803 119.070 0.006 0.000 2.258 74 H HA 0.261 4.820 4.556 0.006 0.000 0.250 74 H C 1.999 177.330 175.328 0.006 0.000 0.908 74 H CA 0.615 56.666 56.048 0.005 0.000 1.096 74 H CB -0.237 29.527 29.762 0.004 0.000 1.422 74 H HN 0.284 nan 8.280 nan 0.000 0.469 75 L N 0.852 122.156 121.223 0.136 0.000 2.027 75 L HA -0.035 4.308 4.340 0.006 0.000 0.206 75 L C 2.871 179.767 176.870 0.044 0.000 1.074 75 L CA 1.201 56.088 54.840 0.078 0.000 0.745 75 L CB -0.611 41.489 42.059 0.069 0.000 0.898 75 L HN 0.174 nan 8.230 nan 0.000 0.433 76 A N 0.664 123.502 122.820 0.029 0.000 1.877 76 A HA -0.102 4.221 4.320 0.006 0.000 0.216 76 A C 0.021 177.610 177.584 0.008 0.000 1.186 76 A CA 1.554 53.599 52.037 0.014 0.000 0.620 76 A CB -1.829 17.175 19.000 0.006 0.000 0.822 76 A HN 0.271 nan 8.150 nan 0.000 0.443 77 P HA -0.097 nan 4.420 nan 0.000 0.221 77 P C 1.388 178.693 177.300 0.008 0.000 1.145 77 P CA 1.638 64.736 63.100 -0.002 0.000 0.795 77 P CB -0.038 31.652 31.700 -0.017 0.000 0.775 78 A N -1.365 121.466 122.820 0.019 0.000 2.119 78 A HA -0.015 4.308 4.320 0.006 0.000 0.216 78 A C 1.948 179.540 177.584 0.014 0.000 1.152 78 A CA 0.969 53.019 52.037 0.020 0.000 0.708 78 A CB -1.054 17.965 19.000 0.030 0.000 0.805 78 A HN 0.158 nan 8.150 nan 0.000 0.460 79 L N -0.172 121.058 121.223 0.012 0.000 2.470 79 L HA 0.176 4.519 4.340 0.006 0.000 0.219 79 L C -0.045 176.828 176.870 0.005 0.000 1.071 79 L CA -0.313 54.532 54.840 0.008 0.000 0.850 79 L CB -0.136 41.929 42.059 0.009 0.000 1.040 79 L HN 0.161 nan 8.230 nan 0.000 0.475 80 I N 1.716 122.288 120.570 0.004 0.000 2.742 80 I HA 0.027 4.201 4.170 0.006 0.000 0.287 80 I C 1.428 177.546 176.117 0.001 0.000 1.186 80 I CA 1.282 62.583 61.300 0.001 0.000 1.417 80 I CB -0.363 37.637 38.000 -0.000 0.000 1.377 80 I HN 0.421 nan 8.210 nan 0.000 0.556 81 G N 5.487 114.287 108.800 0.000 0.000 2.213 81 G HA2 -0.195 3.768 3.960 0.006 0.000 0.226 81 G HA3 -0.195 3.768 3.960 0.006 0.000 0.226 81 G C 0.236 175.136 174.900 0.000 0.000 0.992 81 G CA -0.413 44.688 45.100 0.000 0.000 0.632 81 G HN 0.453 nan 8.290 nan 0.000 0.511 82 L N 1.197 122.420 121.223 0.001 0.000 2.439 82 L HA 0.706 5.050 4.340 0.006 0.000 0.259 82 L C 1.309 178.178 176.870 -0.001 0.000 1.129 82 L CA -0.478 54.362 54.840 0.000 0.000 0.803 82 L CB 1.056 43.116 42.059 0.001 0.000 1.161 82 L HN 0.302 nan 8.230 nan 0.000 0.462 83 A N 0.890 123.709 122.820 -0.001 0.000 2.491 83 A HA 0.375 4.698 4.320 0.006 0.000 0.261 83 A C 1.000 178.583 177.584 -0.003 0.000 1.101 83 A CA 0.312 52.348 52.037 -0.002 0.000 0.772 83 A CB 0.469 19.467 19.000 -0.003 0.000 1.043 83 A HN 0.916 nan 8.150 nan 0.000 0.501 84 A N 2.418 125.236 122.820 -0.004 0.000 2.067 84 A HA -0.082 4.242 4.320 0.006 0.000 0.219 84 A C 1.371 178.950 177.584 -0.008 0.000 1.158 84 A CA 1.717 53.750 52.037 -0.006 0.000 0.661 84 A CB -0.552 18.444 19.000 -0.007 0.000 0.801 84 A HN 0.927 nan 8.150 nan 0.000 0.452 85 D N -1.472 118.924 120.400 -0.007 0.000 2.355 85 D HA -0.039 4.604 4.640 0.006 0.000 0.218 85 D C 0.637 176.933 176.300 -0.007 0.000 1.004 85 D CA 0.240 54.236 54.000 -0.008 0.000 0.880 85 D CB -0.151 40.645 40.800 -0.007 0.000 0.911 85 D HN 0.207 nan 8.370 nan 0.000 0.528 86 N N 0.932 119.629 118.700 -0.005 0.000 3.091 86 N HA 0.172 4.915 4.740 0.006 0.000 0.255 86 N C 0.539 176.046 175.510 -0.005 0.000 1.204 86 N CA -0.290 52.758 53.050 -0.005 0.000 0.990 86 N CB 0.191 38.676 38.487 -0.003 0.000 1.260 86 N HN 0.176 nan 8.380 nan 0.000 0.502 87 I N 0.744 121.310 120.570 -0.006 0.000 2.264 87 I HA -0.278 3.896 4.170 0.006 0.000 0.248 87 I C 2.074 178.188 176.117 -0.005 0.000 1.111 87 I CA 0.730 62.026 61.300 -0.007 0.000 1.382 87 I CB -0.101 37.892 38.000 -0.011 0.000 1.060 87 I HN 0.380 nan 8.210 nan 0.000 0.418 88 N N 1.396 120.094 118.700 -0.004 0.000 2.058 88 N HA -0.171 4.573 4.740 0.006 0.000 0.191 88 N C 1.869 177.378 175.510 -0.002 0.000 1.037 88 N CA 1.959 55.007 53.050 -0.002 0.000 0.848 88 N CB -0.190 38.296 38.487 -0.002 0.000 1.021 88 N HN 0.311 nan 8.380 nan 0.000 0.422 89 A N 0.215 123.034 122.820 -0.002 0.000 1.908 89 A HA 0.017 4.341 4.320 0.006 0.000 0.218 89 A C 2.344 179.928 177.584 0.000 0.000 1.181 89 A CA 2.069 54.106 52.037 -0.001 0.000 0.627 89 A CB -1.248 17.751 19.000 -0.001 0.000 0.818 89 A HN 0.468 nan 8.150 nan 0.000 0.445 90 A N -0.962 121.858 122.820 -0.000 0.000 1.873 90 A HA -0.092 4.231 4.320 0.006 0.000 0.215 90 A C 2.122 179.708 177.584 0.003 0.000 1.186 90 A CA 2.006 54.044 52.037 0.002 0.000 0.616 90 A CB -0.445 18.555 19.000 0.001 0.000 0.823 90 A HN 0.415 nan 8.150 nan 0.000 0.442 91 M N -0.484 119.117 119.600 0.001 0.000 2.254 91 M HA 0.074 4.557 4.480 0.006 0.000 0.265 91 M C 2.016 178.317 176.300 0.002 0.000 1.066 91 M CA 0.964 56.266 55.300 0.002 0.000 1.123 91 M CB -1.376 31.224 32.600 0.000 0.000 1.388 91 M HN 0.356 nan 8.290 nan 0.000 0.425 92 L N -0.462 120.761 121.223 0.001 0.000 2.156 92 L HA -0.160 4.183 4.340 0.006 0.000 0.208 92 L C 2.557 179.427 176.870 0.000 0.000 1.095 92 L CA 0.902 55.742 54.840 -0.001 0.000 0.770 92 L CB -0.478 41.580 42.059 -0.002 0.000 0.914 92 L HN 0.314 nan 8.230 nan 0.000 0.439 93 K N 0.589 120.991 120.400 0.002 0.000 2.097 93 K HA -0.148 4.175 4.320 0.006 0.000 0.205 93 K C 2.093 178.697 176.600 0.006 0.000 1.050 93 K CA 1.079 57.369 56.287 0.004 0.000 0.938 93 K CB 0.042 32.546 32.500 0.006 0.000 0.718 93 K HN 0.271 nan 8.250 nan 0.000 0.442 94 L N 0.811 122.039 121.223 0.008 0.000 2.141 94 L HA -0.178 4.165 4.340 0.006 0.000 0.209 94 L C 1.788 178.661 176.870 0.004 0.000 1.094 94 L CA 0.977 55.824 54.840 0.011 0.000 0.763 94 L CB -0.368 41.700 42.059 0.014 0.000 0.908 94 L HN 0.189 nan 8.230 nan 0.000 0.437 95 D N -0.042 120.359 120.400 0.001 0.000 2.219 95 D HA -0.157 4.487 4.640 0.006 0.000 0.205 95 D C 2.122 178.417 176.300 -0.009 0.000 0.970 95 D CA 0.935 54.932 54.000 -0.005 0.000 0.851 95 D CB 0.097 40.894 40.800 -0.005 0.000 0.943 95 D HN 0.190 nan 8.370 nan 0.000 0.488 96 K N 0.315 120.711 120.400 -0.006 0.000 2.155 96 K HA -0.078 4.245 4.320 0.006 0.000 0.203 96 K C 1.708 178.303 176.600 -0.009 0.000 1.052 96 K CA 0.631 56.914 56.287 -0.007 0.000 0.948 96 K CB 0.185 32.683 32.500 -0.004 0.000 0.728 96 K HN 0.154 nan 8.250 nan 0.000 0.448 97 L N -3.101 118.119 121.223 -0.006 0.000 2.693 97 L HA 0.446 4.790 4.340 0.006 0.000 0.235 97 L C 0.095 176.951 176.870 -0.024 0.000 1.127 97 L CA -0.267 54.568 54.840 -0.008 0.000 0.914 97 L CB 0.950 43.014 42.059 0.008 0.000 1.193 97 L HN -0.159 nan 8.230 nan 0.000 0.502 98 A N 0.251 123.057 122.820 -0.023 0.000 2.402 98 A HA 0.691 5.015 4.320 0.006 0.000 0.291 98 A C -0.620 176.942 177.584 -0.036 0.000 1.051 98 A CA -0.630 51.385 52.037 -0.037 0.000 0.716 98 A CB 1.111 20.098 19.000 -0.021 0.000 1.223 98 A HN -0.013 nan 8.150 nan 0.000 0.425 99 K N 1.453 121.821 120.400 -0.053 0.000 2.249 99 K HA 0.561 4.885 4.320 0.006 0.000 0.280 99 K C 1.150 177.712 176.600 -0.064 0.000 1.033 99 K CA 1.036 57.289 56.287 -0.056 0.000 0.946 99 K CB 1.252 33.712 32.500 -0.067 0.000 1.005 99 K HN 1.647 nan 8.250 nan 0.000 0.469 100 G N 3.134 111.898 108.800 -0.059 0.000 2.574 100 G HA2 -0.383 3.581 3.960 0.006 0.000 0.286 100 G HA3 -0.383 3.581 3.960 0.006 0.000 0.286 100 G C -0.198 174.699 174.900 -0.004 0.000 1.212 100 G CA 0.236 45.302 45.100 -0.057 0.000 0.979 100 G HN 0.836 nan 8.290 nan 0.000 0.557 101 N N -0.044 118.669 118.700 0.022 0.000 2.725 101 N HA -0.242 4.501 4.740 0.006 0.000 0.251 101 N C 1.503 177.084 175.510 0.119 0.000 1.031 101 N CA 1.893 54.990 53.050 0.077 0.000 0.720 101 N CB -1.316 37.196 38.487 0.041 0.000 0.930 101 N HN 1.509 nan 8.380 nan 0.000 0.543 102 T N -3.512 111.142 114.554 0.167 0.000 2.857 102 T HA -0.064 4.289 4.350 0.006 0.000 0.266 102 T C 1.585 176.360 174.700 0.125 0.000 1.048 102 T CA 0.805 62.978 62.100 0.122 0.000 1.139 102 T CB -0.261 68.657 68.868 0.083 0.000 0.874 102 T HN 0.207 nan 8.240 nan 0.000 0.455 103 F N 2.514 122.488 119.950 0.041 0.000 2.102 103 F HA 0.209 4.739 4.527 0.005 0.000 0.298 103 F C 3.025 178.842 175.800 0.028 0.000 1.105 103 F CA 0.748 58.771 58.000 0.037 0.000 1.239 103 F CB -1.129 37.899 39.000 0.046 0.000 0.991 103 F HN 0.268 nan 8.300 nan 0.000 0.474 104 A N -0.092 122.871 122.820 0.237 0.000 1.877 104 A HA -0.215 4.109 4.320 0.006 0.000 0.216 104 A C 2.215 179.850 177.584 0.085 0.000 1.186 104 A CA 1.796 53.913 52.037 0.133 0.000 0.620 104 A CB -0.688 18.375 19.000 0.106 0.000 0.822 104 A HN 0.336 nan 8.150 nan 0.000 0.443 105 K N -0.465 119.980 120.400 0.075 0.000 2.097 105 K HA -0.107 4.217 4.320 0.006 0.000 0.206 105 K C 2.437 179.049 176.600 0.021 0.000 1.049 105 K CA 1.302 57.614 56.287 0.040 0.000 0.933 105 K CB -0.199 32.320 32.500 0.032 0.000 0.717 105 K HN 0.451 nan 8.250 nan 0.000 0.442 106 S N 0.129 115.838 115.700 0.014 0.000 2.368 106 S HA -0.117 4.357 4.470 0.006 0.000 0.225 106 S C 2.064 176.659 174.600 -0.008 0.000 1.030 106 S CA 1.565 59.753 58.200 -0.020 0.000 0.999 106 S CB -0.461 62.697 63.200 -0.071 0.000 0.844 106 S HN 0.491 nan 8.310 nan 0.000 0.459 107 G N 1.282 110.093 108.800 0.020 0.000 2.402 107 G HA2 -0.096 3.868 3.960 0.006 0.000 0.216 107 G HA3 -0.096 3.868 3.960 0.006 0.000 0.216 107 G C 1.419 176.326 174.900 0.011 0.000 1.162 107 G CA 0.867 45.979 45.100 0.020 0.000 0.777 107 G HN 0.562 nan 8.290 nan 0.000 0.539 108 I N 0.363 120.943 120.570 0.017 0.000 2.179 108 I HA -0.156 4.017 4.170 0.006 0.000 0.242 108 I C 2.669 178.785 176.117 -0.002 0.000 1.088 108 I CA 1.515 62.821 61.300 0.011 0.000 1.357 108 I CB -0.176 37.835 38.000 0.018 0.000 1.051 108 I HN 0.278 nan 8.210 nan 0.000 0.409 109 E N 0.637 120.833 120.200 -0.006 0.000 2.106 109 E HA -0.189 4.164 4.350 0.006 0.000 0.192 109 E C 2.245 178.828 176.600 -0.028 0.000 0.984 109 E CA 1.442 57.832 56.400 -0.016 0.000 0.806 109 E CB 0.133 29.823 29.700 -0.017 0.000 0.750 109 E HN 0.376 nan 8.360 nan 0.000 0.458 110 S N 0.429 116.110 115.700 -0.031 0.000 2.382 110 S HA -0.161 4.313 4.470 0.006 0.000 0.228 110 S C 2.001 176.575 174.600 -0.043 0.000 1.027 110 S CA 0.977 59.150 58.200 -0.046 0.000 0.991 110 S CB -0.186 62.988 63.200 -0.042 0.000 0.823 110 S HN 0.464 nan 8.310 nan 0.000 0.469 111 A N 1.482 124.286 122.820 -0.027 0.000 1.898 111 A HA 0.049 4.373 4.320 0.006 0.000 0.216 111 A C 2.109 179.677 177.584 -0.027 0.000 1.181 111 A CA 1.026 53.049 52.037 -0.023 0.000 0.620 111 A CB -0.686 18.308 19.000 -0.009 0.000 0.819 111 A HN 0.443 nan 8.150 nan 0.000 0.442 112 L N -0.779 120.430 121.223 -0.023 0.000 2.093 112 L HA -0.148 4.196 4.340 0.006 0.000 0.208 112 L C 2.525 179.376 176.870 -0.033 0.000 1.085 112 L CA 0.907 55.734 54.840 -0.023 0.000 0.755 112 L CB -0.499 41.550 42.059 -0.016 0.000 0.904 112 L HN 0.360 nan 8.230 nan 0.000 0.435 113 L N -0.402 120.795 121.223 -0.043 0.000 2.093 113 L HA -0.219 4.124 4.340 0.006 0.000 0.208 113 L C 2.230 179.054 176.870 -0.076 0.000 1.085 113 L CA 1.123 55.928 54.840 -0.058 0.000 0.755 113 L CB -0.397 41.620 42.059 -0.070 0.000 0.904 113 L HN 0.283 nan 8.230 nan 0.000 0.435 114 D N 0.039 120.392 120.400 -0.078 0.000 2.084 114 D HA -0.190 4.454 4.640 0.006 0.000 0.194 114 D C 2.176 178.441 176.300 -0.059 0.000 0.990 114 D CA 1.532 55.482 54.000 -0.085 0.000 0.826 114 D CB 0.094 40.852 40.800 -0.069 0.000 0.971 114 D HN 0.216 nan 8.370 nan 0.000 0.453 115 A N -0.101 122.694 122.820 -0.042 0.000 1.908 115 A HA -0.230 4.093 4.320 0.006 0.000 0.218 115 A C 2.217 179.783 177.584 -0.030 0.000 1.181 115 A CA 2.133 54.152 52.037 -0.030 0.000 0.627 115 A CB -0.988 17.999 19.000 -0.022 0.000 0.818 115 A HN 0.351 nan 8.150 nan 0.000 0.445 116 Q N -0.179 119.601 119.800 -0.032 0.000 2.170 116 Q HA -0.021 4.322 4.340 0.006 0.000 0.203 116 Q C 1.856 177.836 176.000 -0.032 0.000 0.976 116 Q CA 1.963 57.749 55.803 -0.028 0.000 0.858 116 Q CB -0.808 27.913 28.738 -0.027 0.000 0.907 116 Q HN 0.515 nan 8.270 nan 0.000 0.433 117 G N -0.001 108.772 108.800 -0.046 0.000 2.403 117 G HA2 -0.199 3.765 3.960 0.006 0.000 0.216 117 G HA3 -0.199 3.765 3.960 0.006 0.000 0.216 117 G C 1.253 176.131 174.900 -0.036 0.000 1.154 117 G CA 0.590 45.661 45.100 -0.048 0.000 0.784 117 G HN 0.326 nan 8.290 nan 0.000 0.538 118 K N -0.068 120.311 120.400 -0.035 0.000 2.057 118 K HA 0.003 4.326 4.320 0.006 0.000 0.206 118 K C 2.516 179.105 176.600 -0.017 0.000 1.050 118 K CA 0.864 57.136 56.287 -0.024 0.000 0.935 118 K CB -0.121 32.365 32.500 -0.023 0.000 0.715 118 K HN 0.184 nan 8.250 nan 0.000 0.439 119 R N 1.188 121.678 120.500 -0.018 0.000 2.073 119 R HA -0.097 4.247 4.340 0.006 0.000 0.234 119 R C 1.809 178.103 176.300 -0.011 0.000 1.134 119 R CA 1.350 57.442 56.100 -0.013 0.000 0.952 119 R CB -0.104 30.188 30.300 -0.013 0.000 0.850 119 R HN 0.143 nan 8.270 nan 0.000 0.433 120 L N -0.489 120.727 121.223 -0.013 0.000 2.567 120 L HA 0.248 4.592 4.340 0.006 0.000 0.225 120 L C 1.029 177.894 176.870 -0.008 0.000 1.119 120 L CA 0.419 55.253 54.840 -0.010 0.000 0.871 120 L CB 0.379 42.432 42.059 -0.010 0.000 1.036 120 L HN 0.633 nan 8.230 nan 0.000 0.459 121 G N 1.139 109.933 108.800 -0.010 0.000 2.176 121 G HA2 -0.266 3.697 3.960 0.006 0.000 0.252 121 G HA3 -0.266 3.697 3.960 0.006 0.000 0.252 121 G C -0.065 174.832 174.900 -0.004 0.000 1.024 121 G CA 0.090 45.186 45.100 -0.007 0.000 0.755 121 G HN 0.252 nan 8.290 nan 0.000 0.507 122 L N -0.661 120.557 121.223 -0.009 0.000 2.333 122 L HA 0.568 4.912 4.340 0.006 0.000 0.269 122 L C -2.287 174.578 176.870 -0.010 0.000 1.010 122 L CA -2.665 52.173 54.840 -0.003 0.000 0.818 122 L CB 2.286 44.343 42.059 -0.003 0.000 1.306 122 L HN -0.168 nan 8.230 nan 0.000 0.430 123 P HA 0.087 nan 4.420 nan 0.000 0.274 123 P C 0.838 178.126 177.300 -0.020 0.000 1.231 123 P CA -0.411 62.704 63.100 0.025 0.000 0.790 123 P CB 1.049 32.832 31.700 0.138 0.000 0.951 124 V N 1.827 121.620 119.914 -0.202 0.000 2.380 124 V HA -0.281 3.843 4.120 0.006 0.000 0.251 124 V C 2.204 178.308 176.094 0.016 0.000 1.063 124 V CA 2.794 64.987 62.300 -0.177 0.000 1.055 124 V CB -1.482 30.109 31.823 -0.387 0.000 0.657 124 V HN 0.711 nan 8.190 nan 0.000 0.455 125 S N -0.003 115.839 115.700 0.235 0.000 2.383 125 S HA -0.224 4.249 4.470 0.006 0.000 0.229 125 S C 1.750 176.395 174.600 0.076 0.000 1.030 125 S CA 1.409 59.710 58.200 0.168 0.000 1.002 125 S CB -0.381 62.913 63.200 0.156 0.000 0.829 125 S HN 0.654 nan 8.310 nan 0.000 0.467 126 E N 1.706 121.945 120.200 0.065 0.000 2.152 126 E HA 0.131 4.485 4.350 0.006 0.000 0.192 126 E C 2.142 178.754 176.600 0.019 0.000 0.983 126 E CA 0.489 56.910 56.400 0.034 0.000 0.818 126 E CB -0.601 29.117 29.700 0.029 0.000 0.758 126 E HN 0.524 nan 8.360 nan 0.000 0.467 127 L N 0.359 121.587 121.223 0.009 0.000 2.131 127 L HA -0.102 4.242 4.340 0.006 0.000 0.210 127 L C 2.110 178.982 176.870 0.003 0.000 1.092 127 L CA 0.740 55.578 54.840 -0.003 0.000 0.759 127 L CB -0.257 41.790 42.059 -0.020 0.000 0.903 127 L HN 0.075 nan 8.230 nan 0.000 0.435 128 L N -0.922 120.307 121.223 0.011 0.000 2.627 128 L HA 0.124 4.468 4.340 0.006 0.000 0.233 128 L C 1.439 178.321 176.870 0.020 0.000 1.144 128 L CA 0.619 55.468 54.840 0.015 0.000 0.892 128 L CB -0.225 41.845 42.059 0.020 0.000 1.039 128 L HN 0.470 nan 8.230 nan 0.000 0.442 129 G N -0.767 108.044 108.800 0.018 0.000 2.541 129 G HA2 -0.017 3.947 3.960 0.006 0.000 0.201 129 G HA3 -0.017 3.947 3.960 0.006 0.000 0.201 129 G C 0.458 175.369 174.900 0.019 0.000 1.026 129 G CA -0.335 44.776 45.100 0.018 0.000 0.687 129 G HN 0.724 nan 8.290 nan 0.000 0.492 130 G N -0.005 108.809 108.800 0.023 0.000 2.521 130 G HA2 0.541 4.504 3.960 0.006 0.000 0.589 130 G HA3 0.541 4.504 3.960 0.006 0.000 0.589 130 G C -0.393 174.520 174.900 0.021 0.000 1.501 130 G CA 0.305 45.418 45.100 0.021 0.000 0.887 130 G HN 1.280 nan 8.290 nan 0.000 0.654 131 R N 0.543 121.054 120.500 0.018 0.000 2.531 131 R HA 0.639 4.982 4.340 0.006 0.000 0.273 131 R C 0.835 177.138 176.300 0.005 0.000 1.070 131 R CA -0.015 56.091 56.100 0.009 0.000 1.112 131 R CB 1.482 31.779 30.300 -0.005 0.000 1.049 131 R HN 1.230 nan 8.270 nan 0.000 0.508 132 V N -1.632 118.284 119.914 0.003 0.000 3.528 132 V HA 0.281 4.405 4.120 0.006 0.000 0.294 132 V C 0.269 176.359 176.094 -0.006 0.000 1.404 132 V CA -0.124 62.176 62.300 0.000 0.000 1.065 132 V CB -1.041 30.784 31.823 0.003 0.000 0.904 132 V HN 0.934 nan 8.190 nan 0.000 0.435 133 R N -1.529 118.964 120.500 -0.012 0.000 2.716 133 R HA 0.497 4.841 4.340 0.006 0.000 0.271 133 R C -1.140 175.140 176.300 -0.033 0.000 1.028 133 R CA -0.412 55.676 56.100 -0.020 0.000 0.883 133 R CB 1.099 31.386 30.300 -0.023 0.000 1.250 133 R HN -0.013 nan 8.270 nan 0.000 0.465 134 D N 0.147 120.526 120.400 -0.035 0.000 2.441 134 D HA 0.105 4.749 4.640 0.006 0.000 0.210 134 D C -0.331 175.920 176.300 -0.082 0.000 1.102 134 D CA 0.540 54.514 54.000 -0.044 0.000 0.840 134 D CB 1.023 41.821 40.800 -0.004 0.000 0.990 134 D HN 0.579 nan 8.370 nan 0.000 0.505 135 S N -0.037 115.593 115.700 -0.117 0.000 2.618 135 S HA 0.715 5.188 4.470 0.006 0.000 0.277 135 S C -0.863 173.633 174.600 -0.174 0.000 1.138 135 S CA -0.839 57.212 58.200 -0.247 0.000 0.844 135 S CB 2.354 65.276 63.200 -0.463 0.000 1.127 135 S HN -0.002 nan 8.310 nan 0.000 0.474 136 L N 0.955 122.068 121.223 -0.185 0.000 2.401 136 L HA 0.600 4.944 4.340 0.006 0.000 0.266 136 L C -0.447 176.390 176.870 -0.055 0.000 0.991 136 L CA -0.786 54.005 54.840 -0.080 0.000 0.818 136 L CB 2.065 44.113 42.059 -0.019 0.000 1.321 136 L HN 0.811 nan 8.230 nan 0.000 0.413 137 E N 1.969 122.164 120.200 -0.009 0.000 2.344 137 E HA 0.327 4.680 4.350 0.006 0.000 0.270 137 E C -0.950 175.706 176.600 0.094 0.000 1.021 137 E CA -0.344 56.083 56.400 0.044 0.000 0.887 137 E CB 1.050 30.770 29.700 0.034 0.000 0.997 137 E HN 0.323 nan 8.360 nan 0.000 0.429 138 V N 1.997 122.018 119.914 0.180 0.000 2.459 138 V HA 0.877 5.001 4.120 0.006 0.000 0.295 138 V C -0.055 176.229 176.094 0.316 0.000 1.029 138 V CA -0.740 61.722 62.300 0.271 0.000 0.874 138 V CB 1.305 33.385 31.823 0.429 0.000 0.985 138 V HN 0.765 nan 8.190 nan 0.000 0.438 139 A N 5.636 128.582 122.820 0.211 0.000 2.306 139 A HA 0.685 5.008 4.320 0.006 0.000 0.314 139 A C -0.666 176.952 177.584 0.057 0.000 1.164 139 A CA -0.713 51.393 52.037 0.116 0.000 0.822 139 A CB 1.122 20.220 19.000 0.163 0.000 1.130 139 A HN 1.165 nan 8.150 nan 0.000 0.496 140 W N 2.275 123.375 121.300 -0.332 0.000 2.573 140 W HA 0.424 5.088 4.660 0.006 0.000 0.326 140 W C -1.172 175.350 176.519 0.004 0.000 1.049 140 W CA -0.358 56.779 57.345 -0.345 0.000 1.220 140 W CB 1.895 31.000 29.460 -0.591 0.000 1.373 140 W HN 0.605 nan 8.180 nan 0.000 0.507 141 T N 6.801 120.969 114.554 -0.645 0.000 2.743 141 T HA 0.321 4.674 4.350 0.006 0.000 0.293 141 T C 0.121 174.503 174.700 -0.530 0.000 0.945 141 T CA -0.307 61.528 62.100 -0.441 0.000 1.030 141 T CB 0.585 69.208 68.868 -0.408 0.000 0.912 141 T HN 0.207 nan 8.240 nan 0.000 0.483 142 L N 2.981 124.120 121.223 -0.139 0.000 2.278 142 L HA 0.514 4.857 4.340 0.006 0.000 0.287 142 L C 0.962 177.808 176.870 -0.039 0.000 1.072 142 L CA -0.470 54.352 54.840 -0.030 0.000 0.819 142 L CB 0.725 42.813 42.059 0.048 0.000 1.176 142 L HN 0.792 nan 8.230 nan 0.000 0.435 143 A N 1.053 123.843 122.820 -0.050 0.000 2.603 143 A HA 0.090 4.414 4.320 0.006 0.000 0.277 143 A C 1.687 179.267 177.584 -0.006 0.000 1.158 143 A CA 0.324 52.338 52.037 -0.038 0.000 0.962 143 A CB 0.118 19.061 19.000 -0.095 0.000 1.189 143 A HN 0.723 nan 8.150 nan 0.000 0.552 144 S N -1.038 114.678 115.700 0.027 0.000 2.442 144 S HA 0.201 4.675 4.470 0.006 0.000 0.236 144 S C 1.795 176.393 174.600 -0.003 0.000 1.007 144 S CA 1.638 59.852 58.200 0.024 0.000 0.965 144 S CB -0.360 62.868 63.200 0.048 0.000 0.773 144 S HN 1.950 nan 8.310 nan 0.000 0.504 145 G N 0.848 109.636 108.800 -0.021 0.000 2.284 145 G HA2 -0.284 3.679 3.960 0.006 0.000 0.247 145 G HA3 -0.284 3.679 3.960 0.006 0.000 0.247 145 G C -0.167 174.663 174.900 -0.117 0.000 1.012 145 G CA 0.269 45.306 45.100 -0.105 0.000 0.618 145 G HN 0.767 nan 8.290 nan 0.000 0.521 146 D N 0.303 120.696 120.400 -0.013 0.000 2.280 146 D HA 0.636 5.279 4.640 0.006 0.000 0.236 146 D C 1.722 178.090 176.300 0.113 0.000 1.082 146 D CA 0.535 54.549 54.000 0.022 0.000 0.834 146 D CB 1.013 41.825 40.800 0.020 0.000 1.100 146 D HN 0.012 nan 8.370 nan 0.000 0.486 147 T N 2.543 117.202 114.554 0.175 0.000 2.665 147 T HA -0.196 4.158 4.350 0.006 0.000 0.268 147 T C 1.863 176.615 174.700 0.087 0.000 1.035 147 T CA 1.576 63.811 62.100 0.225 0.000 1.151 147 T CB -0.295 68.709 68.868 0.226 0.000 0.862 147 T HN 0.554 nan 8.240 nan 0.000 0.438 148 A N 1.286 124.142 122.820 0.060 0.000 1.933 148 A HA -0.065 4.259 4.320 0.006 0.000 0.218 148 A C 2.359 179.959 177.584 0.027 0.000 1.175 148 A CA 1.638 53.694 52.037 0.031 0.000 0.628 148 A CB -0.561 18.454 19.000 0.025 0.000 0.814 148 A HN 0.377 nan 8.150 nan 0.000 0.444 149 R N -0.542 119.981 120.500 0.038 0.000 2.092 149 R HA -0.110 4.234 4.340 0.006 0.000 0.231 149 R C 1.379 177.705 176.300 0.044 0.000 1.119 149 R CA 1.491 57.614 56.100 0.038 0.000 0.970 149 R CB -0.148 30.177 30.300 0.041 0.000 0.864 149 R HN 0.477 nan 8.270 nan 0.000 0.440 150 D N 0.143 120.575 120.400 0.052 0.000 2.123 150 D HA -0.111 4.532 4.640 0.006 0.000 0.200 150 D C 1.818 178.092 176.300 -0.043 0.000 0.976 150 D CA 1.094 55.113 54.000 0.031 0.000 0.831 150 D CB -0.020 40.818 40.800 0.062 0.000 0.974 150 D HN 0.262 nan 8.370 nan 0.000 0.469 151 I N 1.182 121.726 120.570 -0.043 0.000 2.286 151 I HA -0.227 3.947 4.170 0.006 0.000 0.248 151 I C 2.454 178.540 176.117 -0.052 0.000 1.115 151 I CA 0.852 62.108 61.300 -0.074 0.000 1.392 151 I CB -0.133 37.841 38.000 -0.043 0.000 1.065 151 I HN -0.088 nan 8.210 nan 0.000 0.418 152 A N 0.252 123.065 122.820 -0.012 0.000 1.898 152 A HA -0.248 4.075 4.320 0.006 0.000 0.216 152 A C 2.309 179.916 177.584 0.039 0.000 1.181 152 A CA 1.791 53.835 52.037 0.011 0.000 0.620 152 A CB -0.585 18.422 19.000 0.013 0.000 0.819 152 A HN 0.450 nan 8.150 nan 0.000 0.442 153 E N -0.267 119.960 120.200 0.045 0.000 2.077 153 E HA -0.114 4.239 4.350 0.006 0.000 0.193 153 E C 2.116 178.745 176.600 0.049 0.000 0.989 153 E CA 0.978 57.443 56.400 0.108 0.000 0.800 153 E CB -0.222 29.577 29.700 0.165 0.000 0.746 153 E HN 0.556 nan 8.360 nan 0.000 0.452 154 A N 1.001 123.729 122.820 -0.153 0.000 1.930 154 A HA -0.131 4.193 4.320 0.006 0.000 0.217 154 A C 2.096 179.611 177.584 -0.114 0.000 1.175 154 A CA 1.160 52.900 52.037 -0.495 0.000 0.627 154 A CB -0.334 18.107 19.000 -0.933 0.000 0.815 154 A HN 0.139 nan 8.150 nan 0.000 0.443 155 R N -1.747 118.740 120.500 -0.021 0.000 2.148 155 R HA -0.100 4.243 4.340 0.006 0.000 0.223 155 R C 2.139 178.520 176.300 0.135 0.000 1.088 155 R CA 1.295 57.435 56.100 0.066 0.000 0.985 155 R CB -0.365 29.964 30.300 0.048 0.000 0.880 155 R HN 0.780 nan 8.270 nan 0.000 0.451 156 H N 0.889 119.976 119.070 0.028 0.000 2.307 156 H HA 0.012 4.571 4.556 0.006 0.000 0.303 156 H C 1.896 177.253 175.328 0.048 0.000 1.073 156 H CA 1.509 57.572 56.048 0.026 0.000 1.338 156 H CB 0.064 29.829 29.762 0.005 0.000 1.389 156 H HN -0.097 nan 8.280 nan 0.000 0.503 157 M N -0.059 119.502 119.600 -0.064 0.000 2.267 157 M HA -0.106 4.377 4.480 0.006 0.000 0.263 157 M C 2.396 178.753 176.300 0.095 0.000 1.063 157 M CA 1.035 56.301 55.300 -0.056 0.000 1.090 157 M CB -0.892 31.855 32.600 0.245 0.000 1.392 157 M HN 0.327 nan 8.290 nan 0.000 0.422 158 L N -0.699 120.661 121.223 0.229 0.000 2.131 158 L HA -0.148 4.195 4.340 0.006 0.000 0.206 158 L C 2.482 179.445 176.870 0.155 0.000 1.087 158 L CA 0.909 55.926 54.840 0.294 0.000 0.767 158 L CB -0.369 41.868 42.059 0.298 0.000 0.917 158 L HN 0.325 nan 8.230 nan 0.000 0.441 159 E N 0.842 121.089 120.200 0.077 0.000 2.051 159 E HA -0.231 4.122 4.350 0.006 0.000 0.192 159 E C 1.918 178.498 176.600 -0.033 0.000 0.991 159 E CA 1.424 57.851 56.400 0.045 0.000 0.799 159 E CB -0.022 29.728 29.700 0.084 0.000 0.748 159 E HN 0.629 nan 8.360 nan 0.000 0.449 160 I N -2.100 118.392 120.570 -0.130 0.000 3.749 160 I HA 0.176 4.350 4.170 0.006 0.000 0.314 160 I C -0.018 175.934 176.117 -0.274 0.000 1.267 160 I CA -0.066 61.120 61.300 -0.190 0.000 1.169 160 I CB -0.052 37.789 38.000 -0.264 0.000 1.009 160 I HN 0.002 nan 8.210 nan 0.000 0.444 161 R N 0.753 121.074 120.500 -0.298 0.000 3.627 161 R HA -0.213 4.131 4.340 0.006 0.000 0.281 161 R C 1.335 177.125 176.300 -0.851 0.000 1.140 161 R CA 0.826 56.487 56.100 -0.731 0.000 0.761 161 R CB -1.811 28.020 30.300 -0.781 0.000 1.181 161 R HN 0.573 nan 8.270 nan 0.000 0.472 162 R N -0.131 120.085 120.500 -0.475 0.000 2.090 162 R HA 0.080 4.423 4.340 0.006 0.000 0.219 162 R C 0.328 176.274 176.300 -0.590 0.000 1.100 162 R CA 0.897 56.658 56.100 -0.564 0.000 0.991 162 R CB 0.372 30.293 30.300 -0.632 0.000 0.893 162 R HN 0.285 nan 8.270 nan 0.000 0.443 163 H N -1.058 118.095 119.070 0.139 0.000 2.894 163 H HA 0.235 4.795 4.556 0.006 0.000 0.367 163 H C -0.287 175.109 175.328 0.112 0.000 1.144 163 H CA -0.570 55.560 56.048 0.138 0.000 1.180 163 H CB 1.848 31.567 29.762 -0.072 0.000 1.758 163 H HN 0.143 nan 8.280 nan 0.000 0.541 164 R N 0.209 120.667 120.500 -0.069 0.000 2.541 164 R HA 0.397 4.740 4.340 0.006 0.000 0.332 164 R C -0.963 175.103 176.300 -0.390 0.000 0.951 164 R CA -0.081 55.869 56.100 -0.250 0.000 1.136 164 R CB 0.624 30.572 30.300 -0.586 0.000 1.449 164 R HN 0.095 nan 8.270 nan 0.000 0.531 165 V N 1.881 121.447 119.914 -0.579 0.000 2.540 165 V HA 0.551 4.674 4.120 0.006 0.000 0.302 165 V C -1.297 174.390 176.094 -0.678 0.000 1.035 165 V CA -0.621 61.452 62.300 -0.379 0.000 0.873 165 V CB 1.638 33.404 31.823 -0.094 0.000 0.992 165 V HN 0.060 nan 8.190 nan 0.000 0.428 166 F N 2.737 122.762 119.950 0.124 0.000 2.565 166 F HA 0.658 5.189 4.527 0.006 0.000 0.313 166 F C -0.074 175.753 175.800 0.046 0.000 1.091 166 F CA -0.828 57.235 58.000 0.105 0.000 0.915 166 F CB 2.139 41.204 39.000 0.109 0.000 1.208 166 F HN 0.303 nan 8.300 nan 0.000 0.453 167 K N 3.175 123.689 120.400 0.191 0.000 2.324 167 K HA 0.798 5.121 4.320 0.006 0.000 0.253 167 K C -1.896 174.731 176.600 0.045 0.000 0.932 167 K CA -0.559 55.771 56.287 0.073 0.000 0.799 167 K CB 1.494 34.012 32.500 0.031 0.000 1.154 167 K HN 0.733 nan 8.250 nan 0.000 0.425 168 L N 4.081 125.319 121.223 0.025 0.000 2.349 168 L HA 0.435 4.778 4.340 0.006 0.000 0.278 168 L C -0.523 176.355 176.870 0.014 0.000 0.996 168 L CA -0.808 54.051 54.840 0.033 0.000 0.825 168 L CB 1.854 43.943 42.059 0.051 0.000 1.243 168 L HN 0.508 nan 8.230 nan 0.000 0.412 169 K N 5.437 125.843 120.400 0.010 0.000 2.310 169 K HA 0.493 4.816 4.320 0.006 0.000 0.290 169 K C -0.446 176.161 176.600 0.012 0.000 1.077 169 K CA -0.073 56.217 56.287 0.004 0.000 0.922 169 K CB 0.725 33.231 32.500 0.010 0.000 1.057 169 K HN 0.493 nan 8.250 nan 0.000 0.479 170 I N -2.523 118.036 120.570 -0.018 0.000 3.294 170 I HA 0.736 4.910 4.170 0.006 0.000 0.311 170 I C 0.749 176.801 176.117 -0.108 0.000 1.111 170 I CA -0.770 60.514 61.300 -0.027 0.000 0.976 170 I CB 2.113 40.137 38.000 0.040 0.000 1.260 170 I HN 0.641 nan 8.210 nan 0.000 0.474 171 G N 0.716 109.457 108.800 -0.100 0.000 2.253 171 G HA2 -0.202 3.761 3.960 0.006 0.000 0.209 171 G HA3 -0.202 3.761 3.960 0.006 0.000 0.209 171 G C 0.836 175.498 174.900 -0.397 0.000 0.997 171 G CA 0.419 45.417 45.100 -0.170 0.000 0.640 171 G HN 1.244 nan 8.290 nan 0.000 0.496 172 A N -0.121 122.389 122.820 -0.515 0.000 2.178 172 A HA 0.544 4.868 4.320 0.006 0.000 0.211 172 A C 0.917 178.368 177.584 -0.222 0.000 1.157 172 A CA 1.382 53.100 52.037 -0.530 0.000 0.780 172 A CB -0.095 18.618 19.000 -0.479 0.000 0.828 172 A HN 0.582 nan 8.150 nan 0.000 0.476 173 N N -0.637 117.992 118.700 -0.118 0.000 2.525 173 N HA 0.493 5.237 4.740 0.006 0.000 0.288 173 N C -3.002 172.511 175.510 0.006 0.000 1.242 173 N CA -1.819 51.198 53.050 -0.055 0.000 0.905 173 N CB 0.554 39.008 38.487 -0.053 0.000 1.258 173 N HN -0.149 nan 8.380 nan 0.000 0.551 174 P HA -0.046 nan 4.420 nan 0.000 0.266 174 P C 0.654 177.976 177.300 0.037 0.000 1.195 174 P CA -0.061 63.047 63.100 0.013 0.000 0.768 174 P CB 0.594 32.291 31.700 -0.005 0.000 0.838 175 V N 3.289 123.214 119.914 0.020 0.000 2.250 175 V HA -0.308 3.816 4.120 0.006 0.000 0.250 175 V C 2.041 178.135 176.094 0.001 0.000 1.060 175 V CA 1.982 64.277 62.300 -0.008 0.000 1.030 175 V CB -1.062 30.630 31.823 -0.218 0.000 0.643 175 V HN 0.666 nan 8.190 nan 0.000 0.445 176 E N -0.688 119.498 120.200 -0.024 0.000 2.160 176 E HA -0.301 4.053 4.350 0.006 0.000 0.195 176 E C 2.321 178.934 176.600 0.022 0.000 0.991 176 E CA 1.443 57.837 56.400 -0.010 0.000 0.810 176 E CB -0.109 29.579 29.700 -0.019 0.000 0.742 176 E HN 0.674 nan 8.360 nan 0.000 0.466 177 Q N 0.428 120.245 119.800 0.027 0.000 2.083 177 Q HA -0.169 4.174 4.340 0.006 0.000 0.198 177 Q C 1.463 177.507 176.000 0.074 0.000 0.969 177 Q CA 1.253 57.076 55.803 0.034 0.000 0.838 177 Q CB 0.234 28.977 28.738 0.009 0.000 0.900 177 Q HN 0.164 nan 8.270 nan 0.000 0.436 178 D N 0.286 120.745 120.400 0.098 0.000 2.178 178 D HA -0.115 4.529 4.640 0.006 0.000 0.202 178 D C 1.928 178.345 176.300 0.195 0.000 0.974 178 D CA 0.794 54.892 54.000 0.163 0.000 0.841 178 D CB 0.023 40.949 40.800 0.209 0.000 0.953 178 D HN 0.306 nan 8.370 nan 0.000 0.478 179 L N 0.542 121.850 121.223 0.142 0.000 2.072 179 L HA -0.097 4.246 4.340 0.006 0.000 0.205 179 L C 2.509 179.429 176.870 0.083 0.000 1.079 179 L CA 0.879 55.783 54.840 0.107 0.000 0.752 179 L CB -0.349 41.741 42.059 0.052 0.000 0.906 179 L HN -0.034 nan 8.230 nan 0.000 0.436 180 K N -0.396 120.053 120.400 0.082 0.000 2.057 180 K HA -0.248 4.076 4.320 0.006 0.000 0.207 180 K C 2.236 178.894 176.600 0.096 0.000 1.049 180 K CA 1.363 57.691 56.287 0.069 0.000 0.931 180 K CB -0.224 32.311 32.500 0.059 0.000 0.714 180 K HN 0.405 nan 8.250 nan 0.000 0.440 181 H N 0.215 119.298 119.070 0.022 0.000 2.293 181 H HA -0.110 4.449 4.556 0.005 0.000 0.300 181 H C 1.948 177.290 175.328 0.022 0.000 1.082 181 H CA 1.969 58.028 56.048 0.019 0.000 1.308 181 H CB 0.080 29.853 29.762 0.019 0.000 1.375 181 H HN 0.037 nan 8.280 nan 0.000 0.495 182 V N 0.848 120.717 119.914 -0.076 0.000 2.295 182 V HA -0.223 3.901 4.120 0.006 0.000 0.246 182 V C 2.971 179.015 176.094 -0.083 0.000 1.049 182 V CA 1.426 63.647 62.300 -0.131 0.000 1.024 182 V CB -0.537 31.292 31.823 0.010 0.000 0.648 182 V HN 0.276 nan 8.190 nan 0.000 0.447 183 V N -0.041 119.860 119.914 -0.023 0.000 2.407 183 V HA -0.265 3.859 4.120 0.006 0.000 0.248 183 V C 2.546 178.626 176.094 -0.023 0.000 1.055 183 V CA 2.544 64.837 62.300 -0.011 0.000 1.049 183 V CB -0.998 30.831 31.823 0.008 0.000 0.662 183 V HN 0.624 nan 8.190 nan 0.000 0.455 184 T N 0.188 114.722 114.554 -0.034 0.000 2.777 184 T HA -0.067 4.287 4.350 0.006 0.000 0.266 184 T C 1.814 176.482 174.700 -0.054 0.000 1.040 184 T CA 1.565 63.646 62.100 -0.031 0.000 1.141 184 T CB -0.219 68.640 68.868 -0.016 0.000 0.868 184 T HN 0.362 nan 8.240 nan 0.000 0.444 185 I N 0.784 121.290 120.570 -0.108 0.000 2.252 185 I HA -0.121 4.052 4.170 0.006 0.000 0.245 185 I C 2.528 178.610 176.117 -0.057 0.000 1.102 185 I CA 1.046 62.278 61.300 -0.113 0.000 1.385 185 I CB -0.223 37.659 38.000 -0.196 0.000 1.064 185 I HN 0.091 nan 8.210 nan 0.000 0.414 186 K N 1.291 121.669 120.400 -0.038 0.000 2.148 186 K HA -0.114 4.210 4.320 0.006 0.000 0.204 186 K C 2.133 178.736 176.600 0.005 0.000 1.050 186 K CA 1.342 57.628 56.287 -0.001 0.000 0.942 186 K CB -0.166 32.339 32.500 0.008 0.000 0.724 186 K HN 0.084 nan 8.250 nan 0.000 0.446 187 R N 0.097 120.595 120.500 -0.005 0.000 2.066 187 R HA -0.032 4.312 4.340 0.006 0.000 0.232 187 R C 1.867 178.168 176.300 0.003 0.000 1.131 187 R CA 1.400 57.500 56.100 0.001 0.000 0.955 187 R CB -0.026 30.273 30.300 -0.002 0.000 0.851 187 R HN 0.202 nan 8.270 nan 0.000 0.432 188 E N 0.481 120.678 120.200 -0.005 0.000 2.152 188 E HA -0.137 4.217 4.350 0.006 0.000 0.192 188 E C 2.011 178.614 176.600 0.005 0.000 0.983 188 E CA 0.902 57.301 56.400 -0.003 0.000 0.818 188 E CB 0.068 29.761 29.700 -0.012 0.000 0.758 188 E HN 0.372 nan 8.360 nan 0.000 0.467 189 L N -0.309 120.917 121.223 0.006 0.000 2.270 189 L HA 0.059 4.402 4.340 0.006 0.000 0.210 189 L C 1.522 178.417 176.870 0.042 0.000 1.104 189 L CA 0.502 55.359 54.840 0.027 0.000 0.804 189 L CB -0.626 41.455 42.059 0.038 0.000 0.937 189 L HN 0.158 nan 8.230 nan 0.000 0.450 190 G N 1.460 110.280 108.800 0.033 0.000 2.564 190 G HA2 -0.331 3.633 3.960 0.006 0.000 0.273 190 G HA3 -0.331 3.633 3.960 0.006 0.000 0.273 190 G C -0.034 174.892 174.900 0.043 0.000 1.242 190 G CA 0.219 45.339 45.100 0.033 0.000 0.951 190 G HN 0.467 nan 8.290 nan 0.000 0.564 191 D N 0.295 120.717 120.400 0.036 0.000 2.538 191 D HA 0.289 4.933 4.640 0.006 0.000 0.234 191 D C 1.613 177.933 176.300 0.034 0.000 1.191 191 D CA 0.731 54.752 54.000 0.035 0.000 0.828 191 D CB 0.225 41.040 40.800 0.024 0.000 0.981 191 D HN 0.275 nan 8.370 nan 0.000 0.490 192 S N -0.351 115.379 115.700 0.051 0.000 2.458 192 S HA 0.313 4.786 4.470 0.006 0.000 0.223 192 S C 1.040 175.685 174.600 0.075 0.000 1.019 192 S CA 0.125 58.359 58.200 0.057 0.000 0.937 192 S CB 0.487 63.734 63.200 0.078 0.000 0.788 192 S HN 0.570 nan 8.310 nan 0.000 0.511 193 A N 0.867 123.756 122.820 0.116 0.000 2.479 193 A HA 0.769 5.093 4.320 0.006 0.000 0.296 193 A C -0.567 177.097 177.584 0.133 0.000 1.121 193 A CA -0.573 51.567 52.037 0.172 0.000 0.743 193 A CB 1.522 20.776 19.000 0.424 0.000 1.323 193 A HN 0.086 nan 8.150 nan 0.000 0.415 194 S N 0.084 115.855 115.700 0.118 0.000 2.437 194 S HA 0.598 5.072 4.470 0.006 0.000 0.305 194 S C -0.939 173.751 174.600 0.149 0.000 1.109 194 S CA -0.402 57.863 58.200 0.108 0.000 1.099 194 S CB 0.514 63.766 63.200 0.087 0.000 1.004 194 S HN 0.872 nan 8.310 nan 0.000 0.475 195 V N 6.247 126.236 119.914 0.124 0.000 2.417 195 V HA 0.633 4.757 4.120 0.006 0.000 0.291 195 V C -0.186 175.937 176.094 0.049 0.000 1.024 195 V CA -0.722 61.648 62.300 0.117 0.000 0.861 195 V CB 1.533 33.411 31.823 0.091 0.000 0.985 195 V HN 0.899 nan 8.190 nan 0.000 0.436 196 R N 2.430 122.947 120.500 0.029 0.000 2.888 196 R HA 0.885 5.228 4.340 0.006 0.000 0.266 196 R C -0.954 175.321 176.300 -0.042 0.000 1.020 196 R CA -0.689 55.382 56.100 -0.049 0.000 0.963 196 R CB 2.355 32.586 30.300 -0.116 0.000 1.197 196 R HN 0.641 nan 8.270 nan 0.000 0.481 197 V N -2.280 117.587 119.914 -0.078 0.000 3.001 197 V HA 0.706 4.829 4.120 0.006 0.000 0.314 197 V C -1.195 174.830 176.094 -0.115 0.000 1.099 197 V CA -0.775 61.485 62.300 -0.067 0.000 0.989 197 V CB 2.280 34.079 31.823 -0.039 0.000 1.040 197 V HN 0.683 nan 8.190 nan 0.000 0.434 198 D N 0.906 121.239 120.400 -0.111 0.000 2.686 198 D HA 0.498 5.142 4.640 0.006 0.000 0.249 198 D C 0.154 176.356 176.300 -0.164 0.000 1.260 198 D CA -0.302 53.620 54.000 -0.129 0.000 0.910 198 D CB 2.193 42.946 40.800 -0.078 0.000 1.323 198 D HN 0.374 nan 8.370 nan 0.000 0.561 199 V N 2.822 122.570 119.914 -0.277 0.000 3.608 199 V HA 0.080 4.203 4.120 0.006 0.000 0.269 199 V C 0.918 176.887 176.094 -0.208 0.000 1.245 199 V CA -0.195 61.861 62.300 -0.407 0.000 1.138 199 V CB -0.986 30.261 31.823 -0.960 0.000 0.841 199 V HN 0.737 nan 8.190 nan 0.000 0.451 200 N N 1.668 120.256 118.700 -0.186 0.000 2.714 200 N HA -0.292 4.451 4.740 0.006 0.000 0.252 200 N C 0.579 175.824 175.510 -0.442 0.000 1.014 200 N CA 1.190 54.092 53.050 -0.246 0.000 0.735 200 N CB -0.836 37.544 38.487 -0.179 0.000 0.924 200 N HN 0.823 nan 8.380 nan 0.000 0.540 201 Q N -3.952 115.672 119.800 -0.294 0.000 2.406 201 Q HA -0.294 4.049 4.340 0.006 0.000 0.236 201 Q C 0.205 176.084 176.000 -0.202 0.000 0.799 201 Q CA 1.472 57.135 55.803 -0.234 0.000 1.286 201 Q CB -1.629 26.967 28.738 -0.236 0.000 1.615 201 Q HN 0.613 nan 8.270 nan 0.000 0.621 202 Y N -1.113 119.081 120.300 -0.177 0.000 2.352 202 Y HA -0.113 4.441 4.550 0.006 0.000 0.292 202 Y C 1.189 177.131 175.900 0.070 0.000 1.136 202 Y CA 1.013 59.047 58.100 -0.109 0.000 1.227 202 Y CB 0.246 38.605 38.460 -0.168 0.000 0.991 202 Y HN 0.212 nan 8.280 nan 0.000 0.545 203 W N 1.477 122.851 121.300 0.123 0.000 2.436 203 W HA 0.315 4.977 4.660 0.003 0.000 0.347 203 W C -0.098 176.441 176.519 0.033 0.000 1.136 203 W CA -1.667 55.718 57.345 0.066 0.000 1.286 203 W CB 0.282 29.770 29.460 0.046 0.000 1.253 203 W HN 0.008 nan 8.180 nan 0.000 0.617 204 D N -1.240 119.314 120.400 0.257 0.000 2.326 204 D HA 0.094 4.738 4.640 0.006 0.000 0.251 204 D C 0.774 177.144 176.300 0.117 0.000 1.023 204 D CA -0.578 53.506 54.000 0.139 0.000 0.966 204 D CB 0.871 41.719 40.800 0.081 0.000 1.156 204 D HN 0.547 nan 8.370 nan 0.000 0.494 205 E N 0.058 120.305 120.200 0.078 0.000 2.171 205 E HA -0.290 4.063 4.350 0.006 0.000 0.197 205 E C 1.522 178.129 176.600 0.013 0.000 0.997 205 E CA 1.752 58.184 56.400 0.054 0.000 0.810 205 E CB -0.005 29.717 29.700 0.036 0.000 0.738 205 E HN 0.535 nan 8.360 nan 0.000 0.467 206 S N -0.209 115.489 115.700 -0.003 0.000 2.402 206 S HA -0.207 4.267 4.470 0.006 0.000 0.229 206 S C 1.904 176.452 174.600 -0.087 0.000 1.021 206 S CA 1.171 59.350 58.200 -0.035 0.000 0.974 206 S CB -0.196 62.987 63.200 -0.028 0.000 0.800 206 S HN 0.340 nan 8.310 nan 0.000 0.484 207 Q N 1.003 120.734 119.800 -0.115 0.000 2.137 207 Q HA 0.248 4.591 4.340 0.006 0.000 0.198 207 Q C 2.581 178.324 176.000 -0.428 0.000 0.960 207 Q CA 1.107 56.739 55.803 -0.285 0.000 0.847 207 Q CB -0.455 28.073 28.738 -0.351 0.000 0.915 207 Q HN 0.745 nan 8.270 nan 0.000 0.448 208 A N 0.868 123.550 122.820 -0.231 0.000 1.969 208 A HA -0.153 4.170 4.320 0.006 0.000 0.218 208 A C 2.002 179.521 177.584 -0.108 0.000 1.169 208 A CA 0.884 52.844 52.037 -0.128 0.000 0.635 208 A CB -0.595 18.535 19.000 0.217 0.000 0.810 208 A HN 0.292 nan 8.150 nan 0.000 0.445 209 I N -0.877 119.640 120.570 -0.088 0.000 2.118 209 I HA -0.313 3.861 4.170 0.006 0.000 0.241 209 I C 2.764 178.831 176.117 -0.083 0.000 1.070 209 I CA 2.038 63.301 61.300 -0.062 0.000 1.327 209 I CB -0.266 37.703 38.000 -0.050 0.000 1.034 209 I HN 0.356 nan 8.210 nan 0.000 0.405 210 R N 0.792 121.215 120.500 -0.128 0.000 2.093 210 R HA -0.062 4.282 4.340 0.006 0.000 0.224 210 R C 2.343 178.556 176.300 -0.145 0.000 1.101 210 R CA 1.171 57.199 56.100 -0.121 0.000 0.979 210 R CB -0.143 30.081 30.300 -0.126 0.000 0.877 210 R HN 0.355 nan 8.270 nan 0.000 0.441 211 A N 0.615 123.279 122.820 -0.260 0.000 1.877 211 A HA -0.186 4.137 4.320 0.006 0.000 0.216 211 A C 2.428 179.967 177.584 -0.076 0.000 1.186 211 A CA 1.614 53.471 52.037 -0.301 0.000 0.620 211 A CB -0.970 17.485 19.000 -0.907 0.000 0.822 211 A HN 0.550 nan 8.150 nan 0.000 0.443 212 C N -1.348 117.939 119.300 -0.021 0.000 2.422 212 C HA -0.058 4.406 4.460 0.006 0.000 0.279 212 C C 2.835 177.837 174.990 0.020 0.000 1.305 212 C CA 1.354 60.407 59.018 0.060 0.000 1.757 212 C CB -1.035 26.746 27.740 0.068 0.000 1.962 212 C HN 0.772 nan 8.230 nan 0.000 0.499 213 Q N 0.946 120.740 119.800 -0.010 0.000 2.046 213 Q HA -0.105 4.238 4.340 0.006 0.000 0.200 213 Q C 2.126 178.122 176.000 -0.007 0.000 0.975 213 Q CA 1.992 57.788 55.803 -0.011 0.000 0.836 213 Q CB -0.357 28.367 28.738 -0.023 0.000 0.896 213 Q HN 0.456 nan 8.270 nan 0.000 0.428 214 V N 0.638 120.544 119.914 -0.015 0.000 2.295 214 V HA -0.268 3.855 4.120 0.006 0.000 0.246 214 V C 2.336 178.437 176.094 0.012 0.000 1.049 214 V CA 1.791 64.087 62.300 -0.007 0.000 1.024 214 V CB -0.669 31.144 31.823 -0.017 0.000 0.648 214 V HN 0.371 nan 8.190 nan 0.000 0.447 215 L N 0.411 121.652 121.223 0.030 0.000 2.017 215 L HA -0.086 4.257 4.340 0.006 0.000 0.208 215 L C 2.680 179.565 176.870 0.025 0.000 1.073 215 L CA 1.853 56.719 54.840 0.044 0.000 0.745 215 L CB -1.198 40.911 42.059 0.084 0.000 0.894 215 L HN 0.476 nan 8.230 nan 0.000 0.432 216 G N -0.672 108.139 108.800 0.019 0.000 2.422 216 G HA2 -0.225 3.738 3.960 0.006 0.000 0.218 216 G HA3 -0.225 3.738 3.960 0.006 0.000 0.218 216 G C 1.092 175.998 174.900 0.011 0.000 1.146 216 G CA 0.692 45.798 45.100 0.010 0.000 0.769 216 G HN 0.301 nan 8.290 nan 0.000 0.547 217 D N 0.317 120.722 120.400 0.009 0.000 2.347 217 D HA -0.006 4.638 4.640 0.006 0.000 0.215 217 D C 1.208 177.514 176.300 0.010 0.000 0.976 217 D CA 0.361 54.366 54.000 0.008 0.000 0.884 217 D CB 0.030 40.832 40.800 0.004 0.000 0.915 217 D HN 0.247 nan 8.370 nan 0.000 0.526 218 N N -0.173 118.534 118.700 0.013 0.000 2.328 218 N HA 0.161 4.905 4.740 0.006 0.000 0.247 218 N C 0.731 176.251 175.510 0.017 0.000 1.165 218 N CA 0.111 53.169 53.050 0.013 0.000 0.873 218 N CB 1.477 39.971 38.487 0.012 0.000 1.125 218 N HN 0.074 nan 8.380 nan 0.000 0.513 219 G N 1.121 109.933 108.800 0.019 0.000 2.143 219 G HA2 -0.267 3.697 3.960 0.006 0.000 0.248 219 G HA3 -0.267 3.697 3.960 0.006 0.000 0.248 219 G C -0.038 174.878 174.900 0.027 0.000 0.991 219 G CA -0.230 44.886 45.100 0.026 0.000 0.689 219 G HN 0.238 nan 8.290 nan 0.000 0.522 220 I N 1.564 122.145 120.570 0.018 0.000 2.416 220 I HA 0.277 4.450 4.170 0.006 0.000 0.288 220 I C 1.228 177.339 176.117 -0.011 0.000 1.051 220 I CA -0.721 60.584 61.300 0.008 0.000 1.375 220 I CB 1.174 39.177 38.000 0.006 0.000 1.407 220 I HN 0.027 nan 8.210 nan 0.000 0.516 221 D N 5.423 125.815 120.400 -0.013 0.000 2.178 221 D HA 0.004 4.648 4.640 0.006 0.000 0.202 221 D C 0.199 176.352 176.300 -0.244 0.000 0.974 221 D CA 1.351 55.328 54.000 -0.037 0.000 0.841 221 D CB 0.076 40.931 40.800 0.092 0.000 0.953 221 D HN 0.393 nan 8.370 nan 0.000 0.478 222 L N -2.753 118.302 121.223 -0.279 0.000 2.612 222 L HA 0.478 4.822 4.340 0.006 0.000 0.256 222 L C -1.485 175.233 176.870 -0.254 0.000 0.949 222 L CA -0.882 53.723 54.840 -0.391 0.000 0.867 222 L CB 1.640 43.247 42.059 -0.754 0.000 1.417 222 L HN -0.291 nan 8.230 nan 0.000 0.414 223 I N 1.631 122.077 120.570 -0.207 0.000 2.354 223 I HA 0.440 4.613 4.170 0.006 0.000 0.286 223 I C -0.241 175.777 176.117 -0.165 0.000 1.007 223 I CA -0.288 60.932 61.300 -0.134 0.000 1.167 223 I CB 1.687 39.665 38.000 -0.036 0.000 1.320 223 I HN 0.795 nan 8.210 nan 0.000 0.458 224 E N 5.997 126.086 120.200 -0.185 0.000 2.259 224 E HA 0.114 4.468 4.350 0.006 0.000 0.281 224 E C -0.075 176.438 176.600 -0.145 0.000 1.027 224 E CA -0.625 55.670 56.400 -0.174 0.000 0.838 224 E CB 0.783 30.369 29.700 -0.189 0.000 1.066 224 E HN 0.472 nan 8.360 nan 0.000 0.401 225 Q N 3.830 123.564 119.800 -0.110 0.000 2.413 225 Q HA -0.177 4.166 4.340 0.006 0.000 0.364 225 Q C -1.921 174.002 176.000 -0.128 0.000 1.359 225 Q CA 0.704 56.448 55.803 -0.098 0.000 1.097 225 Q CB -0.249 28.431 28.738 -0.096 0.000 1.286 225 Q HN 0.528 nan 8.270 nan 0.000 0.358 226 P HA -0.130 nan 4.420 nan 0.000 0.216 226 P C 0.747 178.050 177.300 0.005 0.000 1.153 226 P CA 1.780 64.833 63.100 -0.079 0.000 0.848 226 P CB -0.125 31.653 31.700 0.131 0.000 0.787 227 I N -4.479 116.116 120.570 0.041 0.000 3.133 227 I HA 0.560 4.734 4.170 0.006 0.000 0.311 227 I C 0.150 176.265 176.117 -0.005 0.000 1.072 227 I CA -1.400 59.935 61.300 0.059 0.000 1.015 227 I CB 1.901 39.958 38.000 0.096 0.000 1.233 227 I HN -0.279 nan 8.210 nan 0.000 0.473 228 S N 0.892 116.589 115.700 -0.005 0.000 2.572 228 S HA 0.118 4.592 4.470 0.006 0.000 0.279 228 S C 1.334 175.921 174.600 -0.022 0.000 1.341 228 S CA -0.231 57.949 58.200 -0.033 0.000 1.043 228 S CB 0.565 63.748 63.200 -0.028 0.000 0.887 228 S HN 0.838 nan 8.310 nan 0.000 0.516 229 R N 3.808 124.288 120.500 -0.033 0.000 2.241 229 R HA -0.065 4.279 4.340 0.006 0.000 0.224 229 R C 1.873 178.170 176.300 -0.006 0.000 1.101 229 R CA 1.851 57.938 56.100 -0.020 0.000 0.995 229 R CB -0.912 29.375 30.300 -0.022 0.000 0.870 229 R HN 0.842 nan 8.270 nan 0.000 0.463 230 I N -1.245 119.322 120.570 -0.006 0.000 2.546 230 I HA -0.009 4.165 4.170 0.006 0.000 0.255 230 I C 0.497 176.618 176.117 0.007 0.000 1.163 230 I CA 0.547 61.849 61.300 0.003 0.000 1.457 230 I CB -0.323 37.678 38.000 0.002 0.000 1.092 230 I HN -0.013 nan 8.210 nan 0.000 0.434 231 N N 2.139 120.844 118.700 0.008 0.000 2.868 231 N HA 0.069 4.813 4.740 0.006 0.000 0.252 231 N C 0.852 176.370 175.510 0.013 0.000 1.130 231 N CA -0.055 53.003 53.050 0.013 0.000 1.026 231 N CB 0.493 38.992 38.487 0.019 0.000 1.335 231 N HN 0.213 nan 8.380 nan 0.000 0.516 232 R N 2.332 122.840 120.500 0.012 0.000 2.066 232 R HA 0.083 4.427 4.340 0.006 0.000 0.232 232 R C 1.876 178.184 176.300 0.013 0.000 1.131 232 R CA 1.887 57.994 56.100 0.012 0.000 0.955 232 R CB -0.834 29.474 30.300 0.012 0.000 0.851 232 R HN 0.538 nan 8.270 nan 0.000 0.432 233 G N -1.096 107.712 108.800 0.013 0.000 2.432 233 G HA2 -0.175 3.788 3.960 0.006 0.000 0.219 233 G HA3 -0.175 3.788 3.960 0.006 0.000 0.219 233 G C 1.486 176.394 174.900 0.014 0.000 1.135 233 G CA 0.681 45.789 45.100 0.012 0.000 0.767 233 G HN 0.518 nan 8.290 nan 0.000 0.550 234 G N 0.176 108.986 108.800 0.017 0.000 2.408 234 G HA2 -0.148 3.815 3.960 0.006 0.000 0.217 234 G HA3 -0.148 3.815 3.960 0.006 0.000 0.217 234 G C 1.766 176.680 174.900 0.024 0.000 1.150 234 G CA 0.956 46.070 45.100 0.022 0.000 0.776 234 G HN 0.509 nan 8.290 nan 0.000 0.542 235 Q N -0.258 119.555 119.800 0.022 0.000 2.079 235 Q HA -0.029 4.315 4.340 0.006 0.000 0.200 235 Q C 2.843 178.855 176.000 0.021 0.000 0.974 235 Q CA 1.218 57.035 55.803 0.023 0.000 0.840 235 Q CB -0.184 28.566 28.738 0.020 0.000 0.898 235 Q HN 0.374 nan 8.270 nan 0.000 0.430 236 V N 0.891 120.816 119.914 0.017 0.000 2.343 236 V HA -0.272 3.851 4.120 0.006 0.000 0.247 236 V C 2.153 178.253 176.094 0.010 0.000 1.051 236 V CA 1.836 64.144 62.300 0.013 0.000 1.036 236 V CB -0.463 31.366 31.823 0.009 0.000 0.654 236 V HN 0.276 nan 8.190 nan 0.000 0.451 237 R N -0.434 120.073 120.500 0.012 0.000 2.075 237 R HA -0.035 4.309 4.340 0.006 0.000 0.232 237 R C 2.288 178.595 176.300 0.011 0.000 1.126 237 R CA 1.289 57.395 56.100 0.010 0.000 0.963 237 R CB -0.358 29.948 30.300 0.010 0.000 0.858 237 R HN 0.405 nan 8.270 nan 0.000 0.435 238 L N 0.591 121.824 121.223 0.017 0.000 2.141 238 L HA -0.154 4.189 4.340 0.006 0.000 0.209 238 L C 2.064 178.942 176.870 0.013 0.000 1.094 238 L CA 0.956 55.808 54.840 0.020 0.000 0.763 238 L CB -0.422 41.657 42.059 0.035 0.000 0.908 238 L HN 0.233 nan 8.230 nan 0.000 0.437 239 N N 0.012 118.719 118.700 0.011 0.000 2.309 239 N HA -0.196 4.547 4.740 0.006 0.000 0.182 239 N C 1.832 177.343 175.510 0.002 0.000 1.018 239 N CA 1.235 54.288 53.050 0.005 0.000 0.876 239 N CB 0.140 38.632 38.487 0.008 0.000 0.972 239 N HN 0.363 nan 8.380 nan 0.000 0.434 240 Q N -0.993 118.809 119.800 0.003 0.000 2.302 240 Q HA 0.058 4.401 4.340 0.006 0.000 0.202 240 Q C 1.666 177.667 176.000 0.002 0.000 0.936 240 Q CA 0.675 56.479 55.803 0.002 0.000 0.886 240 Q CB 0.282 29.020 28.738 0.002 0.000 0.986 240 Q HN 0.531 nan 8.270 nan 0.000 0.487 241 R N -0.621 119.880 120.500 0.003 0.000 2.279 241 R HA 0.202 4.545 4.340 0.006 0.000 0.195 241 R C 0.288 176.590 176.300 0.002 0.000 0.905 241 R CA 0.113 56.214 56.100 0.002 0.000 1.044 241 R CB 0.002 30.302 30.300 0.001 0.000 1.056 241 R HN -0.186 nan 8.270 nan 0.000 0.535 242 T N 4.566 119.123 114.554 0.004 0.000 2.853 242 T HA 0.083 4.437 4.350 0.006 0.000 0.298 242 T C -1.649 173.051 174.700 0.000 0.000 0.978 242 T CA -1.102 61.000 62.100 0.005 0.000 1.152 242 T CB 1.513 70.386 68.868 0.008 0.000 0.914 242 T HN 0.153 nan 8.240 nan 0.000 0.539 243 P HA 0.030 nan 4.420 nan 0.000 0.220 243 P C 0.152 177.452 177.300 -0.001 0.000 1.148 243 P CA 0.512 63.613 63.100 0.003 0.000 0.803 243 P CB 0.279 31.982 31.700 0.004 0.000 0.782 244 A N 1.189 124.001 122.820 -0.012 0.000 2.317 244 A HA 0.609 4.933 4.320 0.006 0.000 0.327 244 A C -2.498 175.045 177.584 -0.068 0.000 1.178 244 A CA -2.164 49.850 52.037 -0.038 0.000 0.817 244 A CB 0.486 19.459 19.000 -0.046 0.000 1.189 244 A HN -0.057 nan 8.150 nan 0.000 0.489 245 P HA 0.126 nan 4.420 nan 0.000 0.269 245 P C -0.663 176.531 177.300 -0.176 0.000 1.209 245 P CA 0.130 63.151 63.100 -0.133 0.000 0.776 245 P CB 0.570 32.175 31.700 -0.158 0.000 0.876 246 I N 3.551 124.052 120.570 -0.116 0.000 2.331 246 I HA 0.357 4.531 4.170 0.006 0.000 0.292 246 I C 0.698 176.755 176.117 -0.100 0.000 0.998 246 I CA -0.593 60.651 61.300 -0.094 0.000 1.267 246 I CB 0.756 38.737 38.000 -0.032 0.000 1.386 246 I HN 0.425 nan 8.210 nan 0.000 0.476 247 M N 5.931 125.455 119.600 -0.127 0.000 2.294 247 M HA 0.684 5.168 4.480 0.006 0.000 0.335 247 M C -0.690 175.596 176.300 -0.023 0.000 1.079 247 M CA -0.471 54.775 55.300 -0.090 0.000 0.982 247 M CB 1.728 34.199 32.600 -0.214 0.000 1.651 247 M HN 0.660 nan 8.290 nan 0.000 0.437 248 A N 3.223 126.082 122.820 0.064 0.000 2.301 248 A HA 0.466 4.790 4.320 0.006 0.000 0.312 248 A C -0.471 177.091 177.584 -0.036 0.000 1.182 248 A CA -0.454 51.583 52.037 -0.001 0.000 0.826 248 A CB 0.782 19.762 19.000 -0.032 0.000 1.134 248 A HN 0.965 nan 8.150 nan 0.000 0.501 249 D N 0.642 121.010 120.400 -0.053 0.000 3.045 249 D HA 0.017 4.660 4.640 0.006 0.000 0.196 249 D C 1.222 177.495 176.300 -0.045 0.000 1.520 249 D CA 0.399 54.378 54.000 -0.035 0.000 1.466 249 D CB -0.180 40.615 40.800 -0.007 0.000 1.152 249 D HN 0.400 nan 8.370 nan 0.000 0.254 250 E N 0.359 120.537 120.200 -0.037 0.000 2.267 250 E HA -0.022 4.332 4.350 0.006 0.000 0.197 250 E C 1.961 178.540 176.600 -0.035 0.000 0.998 250 E CA 0.883 57.265 56.400 -0.029 0.000 0.830 250 E CB -0.099 29.572 29.700 -0.049 0.000 0.751 250 E HN 0.114 nan 8.360 nan 0.000 0.491 251 S N -0.034 115.631 115.700 -0.059 0.000 2.447 251 S HA -0.002 4.471 4.470 0.006 0.000 0.233 251 S C 0.766 175.316 174.600 -0.084 0.000 1.006 251 S CA 0.456 58.618 58.200 -0.063 0.000 0.957 251 S CB -0.040 63.116 63.200 -0.072 0.000 0.773 251 S HN 0.185 nan 8.310 nan 0.000 0.507 252 I N 1.885 122.383 120.570 -0.120 0.000 2.291 252 I HA 0.202 4.375 4.170 0.006 0.000 0.290 252 I C 0.563 176.658 176.117 -0.037 0.000 1.050 252 I CA 0.100 61.319 61.300 -0.135 0.000 1.245 252 I CB 0.925 38.781 38.000 -0.241 0.000 1.405 252 I HN 0.088 nan 8.210 nan 0.000 0.478 253 E N 4.187 124.393 120.200 0.010 0.000 2.660 253 E HA 0.162 4.515 4.350 0.006 0.000 0.216 253 E C -0.448 176.186 176.600 0.056 0.000 0.986 253 E CA -0.146 56.302 56.400 0.080 0.000 1.037 253 E CB 0.800 30.601 29.700 0.168 0.000 1.041 253 E HN 0.737 nan 8.360 nan 0.000 0.480 254 S N -2.286 113.424 115.700 0.018 0.000 2.633 254 S HA 0.125 4.598 4.470 0.006 0.000 0.271 254 S C 0.520 175.128 174.600 0.014 0.000 1.112 254 S CA -0.774 57.436 58.200 0.017 0.000 0.828 254 S CB 1.066 64.278 63.200 0.020 0.000 1.086 254 S HN -0.149 nan 8.310 nan 0.000 0.461 255 V N 1.352 121.283 119.914 0.028 0.000 2.427 255 V HA -0.099 4.024 4.120 0.006 0.000 0.248 255 V C 2.411 178.555 176.094 0.084 0.000 1.051 255 V CA 2.465 64.796 62.300 0.053 0.000 1.048 255 V CB -1.177 30.677 31.823 0.051 0.000 0.666 255 V HN 0.918 nan 8.190 nan 0.000 0.456 256 E N 0.004 120.246 120.200 0.069 0.000 2.204 256 E HA -0.175 4.179 4.350 0.006 0.000 0.194 256 E C 1.866 178.547 176.600 0.136 0.000 0.989 256 E CA 1.082 57.545 56.400 0.104 0.000 0.824 256 E CB -0.287 29.448 29.700 0.058 0.000 0.756 256 E HN 0.548 nan 8.360 nan 0.000 0.477 257 D N -0.001 120.439 120.400 0.067 0.000 2.144 257 D HA -0.070 4.574 4.640 0.006 0.000 0.200 257 D C 1.833 178.135 176.300 0.003 0.000 0.978 257 D CA 1.306 55.323 54.000 0.029 0.000 0.833 257 D CB -0.255 40.533 40.800 -0.019 0.000 0.961 257 D HN 0.205 nan 8.370 nan 0.000 0.470 258 A N 0.390 123.206 122.820 -0.008 0.000 1.902 258 A HA -0.178 4.146 4.320 0.006 0.000 0.217 258 A C 2.117 179.834 177.584 0.221 0.000 1.181 258 A CA 1.055 53.083 52.037 -0.015 0.000 0.623 258 A CB -1.020 18.023 19.000 0.073 0.000 0.818 258 A HN 0.274 nan 8.150 nan 0.000 0.443 259 F N 0.787 120.806 119.950 0.115 0.000 2.095 259 F HA -0.156 4.376 4.527 0.007 0.000 0.298 259 F C 2.668 178.531 175.800 0.104 0.000 1.104 259 F CA 1.843 59.911 58.000 0.115 0.000 1.232 259 F CB -0.589 38.453 39.000 0.070 0.000 0.987 259 F HN 0.217 nan 8.300 nan 0.000 0.475 260 S N 0.491 116.229 115.700 0.062 0.000 2.359 260 S HA -0.208 4.266 4.470 0.006 0.000 0.223 260 S C 2.116 176.677 174.600 -0.064 0.000 1.039 260 S CA 1.866 60.060 58.200 -0.010 0.000 1.042 260 S CB -0.638 62.613 63.200 0.086 0.000 0.915 260 S HN 0.447 nan 8.310 nan 0.000 0.439 261 L N 0.804 122.035 121.223 0.013 0.000 2.141 261 L HA -0.054 4.289 4.340 0.006 0.000 0.209 261 L C 2.752 179.692 176.870 0.117 0.000 1.094 261 L CA 1.054 55.939 54.840 0.076 0.000 0.763 261 L CB -0.561 41.555 42.059 0.095 0.000 0.908 261 L HN 0.374 nan 8.230 nan 0.000 0.437 262 A N 0.083 122.965 122.820 0.104 0.000 1.872 262 A HA -0.077 4.247 4.320 0.006 0.000 0.214 262 A C 2.538 180.023 177.584 -0.164 0.000 1.187 262 A CA 1.439 53.464 52.037 -0.021 0.000 0.614 262 A CB -0.690 18.278 19.000 -0.053 0.000 0.826 262 A HN 0.347 nan 8.150 nan 0.000 0.442 263 A N -0.327 122.288 122.820 -0.341 0.000 2.019 263 A HA -0.150 4.173 4.320 0.006 0.000 0.219 263 A C 1.654 179.152 177.584 -0.144 0.000 1.164 263 A CA 1.956 53.801 52.037 -0.319 0.000 0.644 263 A CB -0.460 18.236 19.000 -0.507 0.000 0.805 263 A HN 0.431 nan 8.150 nan 0.000 0.449 264 D N -1.316 119.025 120.400 -0.099 0.000 2.289 264 D HA 0.223 4.866 4.640 0.006 0.000 0.207 264 D C 1.339 177.624 176.300 -0.025 0.000 0.966 264 D CA 1.225 55.199 54.000 -0.042 0.000 0.868 264 D CB -0.110 40.679 40.800 -0.018 0.000 0.943 264 D HN 0.570 nan 8.370 nan 0.000 0.514 265 G N 0.424 109.209 108.800 -0.024 0.000 2.256 265 G HA2 -0.220 3.744 3.960 0.006 0.000 0.272 265 G HA3 -0.220 3.744 3.960 0.006 0.000 0.272 265 G C 0.924 175.831 174.900 0.012 0.000 1.076 265 G CA 0.473 45.565 45.100 -0.014 0.000 0.882 265 G HN 0.448 nan 8.290 nan 0.000 0.497 266 A N -1.315 121.530 122.820 0.042 0.000 2.218 266 A HA 0.800 5.123 4.320 0.006 0.000 0.209 266 A C 1.340 178.968 177.584 0.073 0.000 1.168 266 A CA 1.641 53.709 52.037 0.052 0.000 0.804 266 A CB 0.178 19.209 19.000 0.051 0.000 0.834 266 A HN 2.394 nan 8.150 nan 0.000 0.482 267 A N -1.284 121.596 122.820 0.099 0.000 2.594 267 A HA 0.538 4.862 4.320 0.006 0.000 0.296 267 A C 0.446 178.049 177.584 0.032 0.000 1.056 267 A CA 0.309 52.404 52.037 0.097 0.000 0.693 267 A CB 0.016 19.140 19.000 0.207 0.000 1.278 267 A HN 0.767 nan 8.150 nan 0.000 0.408 268 S N 0.034 115.727 115.700 -0.010 0.000 2.556 268 S HA 0.484 4.957 4.470 0.006 0.000 0.216 268 S C 0.269 174.837 174.600 -0.053 0.000 0.970 268 S CA 0.377 58.550 58.200 -0.046 0.000 0.912 268 S CB -0.577 62.614 63.200 -0.016 0.000 0.790 268 S HN 0.613 nan 8.310 nan 0.000 0.504 269 I N 1.007 121.564 120.570 -0.023 0.000 2.722 269 I HA 0.504 4.677 4.170 0.006 0.000 0.295 269 I C -1.459 174.806 176.117 0.247 0.000 1.161 269 I CA -0.885 60.432 61.300 0.028 0.000 1.032 269 I CB 2.059 40.007 38.000 -0.087 0.000 1.244 269 I HN -0.044 nan 8.210 nan 0.000 0.421 270 F N 3.079 123.050 119.950 0.035 0.000 2.495 270 F HA 0.696 5.225 4.527 0.002 0.000 0.327 270 F C 0.450 176.291 175.800 0.069 0.000 1.103 270 F CA -1.553 56.468 58.000 0.036 0.000 0.949 270 F CB 2.058 41.082 39.000 0.040 0.000 1.142 270 F HN 0.439 nan 8.300 nan 0.000 0.457 271 A N 5.085 128.041 122.820 0.226 0.000 2.289 271 A HA 0.669 4.992 4.320 0.006 0.000 0.298 271 A C -0.681 176.975 177.584 0.119 0.000 1.208 271 A CA -0.500 51.663 52.037 0.210 0.000 0.845 271 A CB 0.126 19.235 19.000 0.183 0.000 1.125 271 A HN 0.718 nan 8.150 nan 0.000 0.517 272 L N 2.946 124.211 121.223 0.071 0.000 2.264 272 L HA 0.428 4.772 4.340 0.006 0.000 0.289 272 L C -0.001 176.962 176.870 0.154 0.000 1.044 272 L CA -0.125 54.774 54.840 0.097 0.000 0.807 272 L CB 1.036 43.147 42.059 0.085 0.000 1.192 272 L HN 0.668 nan 8.230 nan 0.000 0.425 273 K N 3.966 124.432 120.400 0.109 0.000 2.507 273 K HA 0.313 4.637 4.320 0.006 0.000 0.252 273 K C 0.990 177.588 176.600 -0.003 0.000 0.943 273 K CA -0.537 55.790 56.287 0.067 0.000 0.808 273 K CB 2.670 35.164 32.500 -0.010 0.000 1.142 273 K HN 0.592 nan 8.250 nan 0.000 0.426 274 I N -0.270 120.287 120.570 -0.022 0.000 2.286 274 I HA -0.209 3.964 4.170 0.006 0.000 0.248 274 I C 1.857 177.869 176.117 -0.175 0.000 1.115 274 I CA 1.559 62.810 61.300 -0.082 0.000 1.392 274 I CB -0.210 37.727 38.000 -0.104 0.000 1.065 274 I HN 0.550 nan 8.210 nan 0.000 0.418 275 A N 1.526 124.161 122.820 -0.308 0.000 1.969 275 A HA -0.089 4.235 4.320 0.006 0.000 0.218 275 A C 2.206 179.339 177.584 -0.752 0.000 1.169 275 A CA 1.275 52.909 52.037 -0.672 0.000 0.635 275 A CB -0.362 17.987 19.000 -1.085 0.000 0.810 275 A HN 0.384 nan 8.150 nan 0.000 0.445 276 K N -0.435 119.712 120.400 -0.422 0.000 2.400 276 K HA 0.070 4.394 4.320 0.006 0.000 0.194 276 K C 0.556 177.115 176.600 -0.070 0.000 1.033 276 K CA 0.927 57.107 56.287 -0.179 0.000 1.021 276 K CB -0.218 32.239 32.500 -0.071 0.000 0.808 276 K HN 0.579 nan 8.250 nan 0.000 0.505 277 N N -0.780 117.872 118.700 -0.080 0.000 2.397 277 N HA 0.049 4.793 4.740 0.006 0.000 0.190 277 N C 0.668 176.164 175.510 -0.023 0.000 1.099 277 N CA 0.738 53.772 53.050 -0.027 0.000 0.876 277 N CB 1.348 39.834 38.487 -0.003 0.000 1.143 277 N HN 0.236 nan 8.380 nan 0.000 0.468 278 G N -0.809 107.961 108.800 -0.050 0.000 2.164 278 G HA2 0.238 4.201 3.960 0.006 0.000 0.154 278 G HA3 0.238 4.201 3.960 0.006 0.000 0.154 278 G C 0.258 175.140 174.900 -0.030 0.000 1.014 278 G CA -0.227 44.857 45.100 -0.027 0.000 0.683 278 G HN 0.704 nan 8.290 nan 0.000 0.500 279 G N -1.464 107.307 108.800 -0.047 0.000 2.347 279 G HA2 0.434 4.397 3.960 0.006 0.000 0.477 279 G HA3 0.434 4.397 3.960 0.006 0.000 0.477 279 G C -1.662 173.212 174.900 -0.043 0.000 1.349 279 G CA 0.194 45.267 45.100 -0.045 0.000 1.000 279 G HN 0.214 nan 8.290 nan 0.000 0.605 280 P HA -0.060 nan 4.420 nan 0.000 0.216 280 P C 1.969 179.256 177.300 -0.022 0.000 1.150 280 P CA 1.382 64.444 63.100 -0.063 0.000 0.837 280 P CB 0.052 31.706 31.700 -0.076 0.000 0.786 281 R N -0.715 119.777 120.500 -0.014 0.000 2.073 281 R HA 0.030 4.373 4.340 0.006 0.000 0.229 281 R C 2.307 178.617 176.300 0.017 0.000 1.120 281 R CA 1.365 57.467 56.100 0.003 0.000 0.967 281 R CB -0.966 29.333 30.300 -0.001 0.000 0.862 281 R HN 0.131 nan 8.270 nan 0.000 0.436 282 A N 0.624 123.451 122.820 0.011 0.000 1.898 282 A HA -0.114 4.209 4.320 0.006 0.000 0.216 282 A C 2.259 179.868 177.584 0.041 0.000 1.181 282 A CA 1.234 53.283 52.037 0.021 0.000 0.620 282 A CB -0.696 18.308 19.000 0.008 0.000 0.819 282 A HN 0.184 nan 8.150 nan 0.000 0.442 283 V N 0.140 120.080 119.914 0.044 0.000 2.594 283 V HA -0.196 3.927 4.120 0.006 0.000 0.253 283 V C 2.313 178.478 176.094 0.119 0.000 1.069 283 V CA 1.888 64.242 62.300 0.090 0.000 1.082 283 V CB -0.419 31.473 31.823 0.115 0.000 0.680 283 V HN 0.589 nan 8.190 nan 0.000 0.469 284 L N -0.964 120.315 121.223 0.092 0.000 2.217 284 L HA -0.087 4.256 4.340 0.006 0.000 0.211 284 L C 2.705 179.628 176.870 0.088 0.000 1.107 284 L CA 1.241 56.139 54.840 0.096 0.000 0.783 284 L CB -0.539 41.561 42.059 0.069 0.000 0.919 284 L HN 0.237 nan 8.230 nan 0.000 0.442 285 R N -0.529 120.016 120.500 0.075 0.000 2.073 285 R HA -0.119 4.224 4.340 0.006 0.000 0.234 285 R C 2.306 178.670 176.300 0.106 0.000 1.134 285 R CA 1.868 58.013 56.100 0.075 0.000 0.952 285 R CB -0.492 29.843 30.300 0.058 0.000 0.850 285 R HN 0.262 nan 8.270 nan 0.000 0.433 286 T N 0.746 115.371 114.554 0.119 0.000 2.746 286 T HA -0.139 4.215 4.350 0.006 0.000 0.267 286 T C 1.860 176.682 174.700 0.203 0.000 1.039 286 T CA 1.432 63.630 62.100 0.164 0.000 1.142 286 T CB -0.197 68.752 68.868 0.136 0.000 0.866 286 T HN 0.380 nan 8.240 nan 0.000 0.444 287 A N 1.127 124.046 122.820 0.165 0.000 1.930 287 A HA -0.134 4.190 4.320 0.006 0.000 0.217 287 A C 2.245 179.895 177.584 0.109 0.000 1.175 287 A CA 1.419 53.543 52.037 0.145 0.000 0.627 287 A CB -0.556 18.523 19.000 0.132 0.000 0.815 287 A HN 0.537 nan 8.150 nan 0.000 0.443 288 Q N -0.574 119.287 119.800 0.103 0.000 2.119 288 Q HA -0.030 4.313 4.340 0.006 0.000 0.201 288 Q C 1.947 178.001 176.000 0.090 0.000 0.972 288 Q CA 1.320 57.171 55.803 0.081 0.000 0.847 288 Q CB -0.260 28.521 28.738 0.072 0.000 0.903 288 Q HN 0.728 nan 8.270 nan 0.000 0.433 289 I N 0.463 121.111 120.570 0.130 0.000 2.179 289 I HA -0.297 3.877 4.170 0.006 0.000 0.242 289 I C 2.352 178.529 176.117 0.100 0.000 1.088 289 I CA 1.030 62.427 61.300 0.162 0.000 1.357 289 I CB -0.330 37.819 38.000 0.248 0.000 1.051 289 I HN 0.192 nan 8.210 nan 0.000 0.409 290 A N 0.081 122.949 122.820 0.080 0.000 1.902 290 A HA -0.203 4.120 4.320 0.006 0.000 0.217 290 A C 2.235 179.769 177.584 -0.084 0.000 1.181 290 A CA 1.463 53.435 52.037 -0.108 0.000 0.623 290 A CB -0.466 18.438 19.000 -0.160 0.000 0.818 290 A HN 0.371 nan 8.150 nan 0.000 0.443 291 E N -0.205 119.986 120.200 -0.014 0.000 2.110 291 E HA -0.145 4.208 4.350 0.006 0.000 0.193 291 E C 2.270 178.865 176.600 -0.007 0.000 0.988 291 E CA 1.163 57.556 56.400 -0.011 0.000 0.804 291 E CB -0.368 29.340 29.700 0.013 0.000 0.745 291 E HN 0.591 nan 8.360 nan 0.000 0.458 292 A N 0.852 123.680 122.820 0.013 0.000 2.067 292 A HA 0.039 4.362 4.320 0.006 0.000 0.219 292 A C 2.151 179.737 177.584 0.004 0.000 1.158 292 A CA 1.487 53.538 52.037 0.022 0.000 0.661 292 A CB -0.093 18.939 19.000 0.054 0.000 0.801 292 A HN 0.226 nan 8.150 nan 0.000 0.452 293 A N -2.306 120.499 122.820 -0.024 0.000 2.252 293 A HA 0.455 4.779 4.320 0.006 0.000 0.213 293 A C 1.643 179.184 177.584 -0.072 0.000 1.188 293 A CA 1.084 53.089 52.037 -0.054 0.000 0.863 293 A CB -0.386 18.560 19.000 -0.089 0.000 0.893 293 A HN 1.782 nan 8.150 nan 0.000 0.495 294 G N -0.512 108.246 108.800 -0.071 0.000 2.132 294 G HA2 -0.187 3.776 3.960 0.006 0.000 0.228 294 G HA3 -0.187 3.776 3.960 0.006 0.000 0.228 294 G C 0.005 174.848 174.900 -0.094 0.000 1.000 294 G CA 0.150 45.211 45.100 -0.066 0.000 0.693 294 G HN 0.418 nan 8.290 nan 0.000 0.515 295 I N 1.727 122.198 120.570 -0.164 0.000 2.371 295 I HA 0.460 4.633 4.170 0.006 0.000 0.290 295 I C 1.466 177.492 176.117 -0.152 0.000 1.028 295 I CA -0.056 61.093 61.300 -0.251 0.000 1.345 295 I CB 1.153 38.796 38.000 -0.595 0.000 1.407 295 I HN 0.164 nan 8.210 nan 0.000 0.501 296 G N 6.796 115.572 108.800 -0.040 0.000 2.594 296 G HA2 0.460 4.423 3.960 0.006 0.000 0.243 296 G HA3 0.460 4.423 3.960 0.006 0.000 0.243 296 G C -0.467 174.507 174.900 0.123 0.000 1.229 296 G CA -0.479 44.674 45.100 0.088 0.000 0.843 296 G HN 0.465 nan 8.290 nan 0.000 0.578 297 L N 0.047 121.365 121.223 0.159 0.000 2.333 297 L HA 0.579 4.922 4.340 0.006 0.000 0.269 297 L C -1.015 176.008 176.870 0.255 0.000 1.010 297 L CA -1.097 53.837 54.840 0.158 0.000 0.818 297 L CB 2.289 44.376 42.059 0.046 0.000 1.306 297 L HN 0.573 nan 8.230 nan 0.000 0.430 298 Y N 0.082 120.383 120.300 0.001 0.000 2.441 298 Y HA 0.558 5.111 4.550 0.006 0.000 0.334 298 Y C -0.036 175.718 175.900 -0.243 0.000 1.061 298 Y CA -0.929 57.145 58.100 -0.043 0.000 1.032 298 Y CB 2.033 40.517 38.460 0.041 0.000 1.266 298 Y HN 0.531 nan 8.280 nan 0.000 0.441 299 G N 3.443 111.739 108.800 -0.839 0.000 2.394 299 G HA2 0.460 4.423 3.960 0.006 0.000 0.298 299 G HA3 0.460 4.423 3.960 0.006 0.000 0.298 299 G C 0.160 174.650 174.900 -0.684 0.000 1.087 299 G CA 0.119 44.554 45.100 -1.109 0.000 1.035 299 G HN 0.968 nan 8.290 nan 0.000 0.420 300 G N 0.242 108.871 108.800 -0.285 0.000 2.522 300 G HA2 0.631 4.594 3.960 0.006 0.000 0.304 300 G HA3 0.631 4.594 3.960 0.006 0.000 0.304 300 G C -0.483 174.444 174.900 0.046 0.000 1.210 300 G CA -0.286 44.757 45.100 -0.095 0.000 0.960 300 G HN 0.747 nan 8.290 nan 0.000 0.497 301 T N -0.891 113.681 114.554 0.030 0.000 2.853 301 T HA 0.419 4.773 4.350 0.006 0.000 0.311 301 T C -0.073 174.632 174.700 0.009 0.000 1.307 301 T CA -0.660 61.460 62.100 0.032 0.000 1.019 301 T CB 1.444 70.334 68.868 0.035 0.000 1.264 301 T HN 0.183 nan 8.240 nan 0.000 0.497 302 M N 3.691 123.295 119.600 0.007 0.000 2.655 302 M HA 0.400 4.883 4.480 0.006 0.000 0.311 302 M C 0.446 176.747 176.300 0.001 0.000 1.229 302 M CA 0.073 55.383 55.300 0.017 0.000 0.972 302 M CB -1.098 31.550 32.600 0.081 0.000 1.366 302 M HN 0.707 nan 8.290 nan 0.000 0.500 303 L N 0.526 121.741 121.223 -0.012 0.000 3.608 303 L HA -0.260 4.084 4.340 0.006 0.000 0.422 303 L C -0.282 176.593 176.870 0.009 0.000 1.260 303 L CA 0.264 55.094 54.840 -0.017 0.000 0.889 303 L CB -1.734 40.289 42.059 -0.060 0.000 1.821 303 L HN 0.335 nan 8.230 nan 0.000 0.884 304 E N 0.015 120.230 120.200 0.026 0.000 2.392 304 E HA 0.455 4.809 4.350 0.006 0.000 0.259 304 E C 1.023 177.647 176.600 0.040 0.000 1.108 304 E CA 0.571 56.990 56.400 0.033 0.000 0.916 304 E CB 0.594 30.311 29.700 0.028 0.000 0.989 304 E HN 0.276 nan 8.360 nan 0.000 0.432 305 G N 0.095 108.917 108.800 0.036 0.000 2.486 305 G HA2 -0.014 3.950 3.960 0.006 0.000 0.272 305 G HA3 -0.014 3.950 3.960 0.006 0.000 0.272 305 G C 0.734 175.667 174.900 0.057 0.000 1.426 305 G CA -0.259 44.867 45.100 0.043 0.000 1.058 305 G HN 0.459 nan 8.290 nan 0.000 0.531 306 S N -0.717 115.020 115.700 0.062 0.000 2.383 306 S HA -0.129 4.344 4.470 0.006 0.000 0.229 306 S C 2.366 176.992 174.600 0.044 0.000 1.030 306 S CA 1.113 59.352 58.200 0.064 0.000 1.002 306 S CB -0.344 62.895 63.200 0.065 0.000 0.829 306 S HN 0.430 nan 8.310 nan 0.000 0.467 307 I N 1.286 121.876 120.570 0.033 0.000 2.142 307 I HA -0.151 4.023 4.170 0.006 0.000 0.240 307 I C 2.719 178.840 176.117 0.007 0.000 1.078 307 I CA 1.371 62.682 61.300 0.018 0.000 1.343 307 I CB -0.840 37.169 38.000 0.015 0.000 1.046 307 I HN 0.380 nan 8.210 nan 0.000 0.405 308 G N -0.237 108.569 108.800 0.010 0.000 2.421 308 G HA2 -0.155 3.809 3.960 0.006 0.000 0.217 308 G HA3 -0.155 3.809 3.960 0.006 0.000 0.217 308 G C 1.650 176.542 174.900 -0.014 0.000 1.143 308 G CA 1.050 46.146 45.100 -0.006 0.000 0.784 308 G HN 0.270 nan 8.290 nan 0.000 0.541 309 T N 1.515 116.078 114.554 0.015 0.000 2.777 309 T HA 0.001 4.355 4.350 0.006 0.000 0.266 309 T C 2.277 176.972 174.700 -0.008 0.000 1.040 309 T CA 0.461 62.575 62.100 0.022 0.000 1.141 309 T CB -0.105 68.808 68.868 0.075 0.000 0.868 309 T HN -0.007 nan 8.240 nan 0.000 0.444 310 L N 0.926 122.161 121.223 0.019 0.000 2.093 310 L HA 0.062 4.405 4.340 0.006 0.000 0.208 310 L C 2.926 179.860 176.870 0.106 0.000 1.085 310 L CA 1.451 56.333 54.840 0.071 0.000 0.755 310 L CB -1.508 40.617 42.059 0.111 0.000 0.904 310 L HN 0.254 nan 8.230 nan 0.000 0.435 311 A N -0.753 122.068 122.820 0.001 0.000 1.933 311 A HA -0.161 4.162 4.320 0.006 0.000 0.218 311 A C 2.551 180.042 177.584 -0.154 0.000 1.175 311 A CA 1.905 53.907 52.037 -0.058 0.000 0.628 311 A CB -0.390 18.566 19.000 -0.073 0.000 0.814 311 A HN 0.429 nan 8.150 nan 0.000 0.444 312 S N -0.046 115.509 115.700 -0.241 0.000 2.345 312 S HA 0.012 4.486 4.470 0.006 0.000 0.220 312 S C 2.399 176.491 174.600 -0.846 0.000 1.031 312 S CA 1.114 58.965 58.200 -0.581 0.000 0.996 312 S CB -0.635 62.310 63.200 -0.424 0.000 0.882 312 S HN 0.814 nan 8.310 nan 0.000 0.445 313 A N 1.474 124.045 122.820 -0.416 0.000 1.927 313 A HA -0.248 4.075 4.320 0.006 0.000 0.220 313 A C 1.784 179.221 177.584 -0.246 0.000 1.185 313 A CA 2.192 54.072 52.037 -0.261 0.000 0.639 313 A CB -1.133 17.778 19.000 -0.149 0.000 0.820 313 A HN 0.598 nan 8.150 nan 0.000 0.451 314 H N -0.881 118.068 119.070 -0.201 0.000 2.456 314 H HA 0.075 4.634 4.556 0.006 0.000 0.296 314 H C 2.313 177.564 175.328 -0.128 0.000 1.079 314 H CA 1.496 57.466 56.048 -0.129 0.000 1.322 314 H CB -0.020 29.679 29.762 -0.105 0.000 1.388 314 H HN 0.556 nan 8.280 nan 0.000 0.538 315 A N -0.075 122.667 122.820 -0.130 0.000 1.935 315 A HA -0.038 4.285 4.320 0.006 0.000 0.214 315 A C 1.456 179.060 177.584 0.034 0.000 1.178 315 A CA 0.659 52.639 52.037 -0.096 0.000 0.640 315 A CB -0.366 18.520 19.000 -0.190 0.000 0.825 315 A HN 0.269 nan 8.150 nan 0.000 0.447 316 F N 0.518 120.465 119.950 -0.006 0.000 2.365 316 F HA 0.021 4.552 4.527 0.006 0.000 0.300 316 F C 1.851 177.632 175.800 -0.031 0.000 1.090 316 F CA 0.055 58.042 58.000 -0.021 0.000 1.408 316 F CB -0.933 38.043 39.000 -0.040 0.000 1.060 316 F HN 0.103 nan 8.300 nan 0.000 0.534 317 L N -0.228 121.056 121.223 0.102 0.000 2.291 317 L HA -0.137 4.206 4.340 0.006 0.000 0.214 317 L C 2.341 179.234 176.870 0.039 0.000 1.120 317 L CA 1.587 56.447 54.840 0.033 0.000 0.799 317 L CB -1.071 40.965 42.059 -0.039 0.000 0.925 317 L HN 0.236 nan 8.230 nan 0.000 0.446 318 T N -2.977 111.612 114.554 0.059 0.000 3.088 318 T HA 0.056 4.410 4.350 0.006 0.000 0.259 318 T C 0.734 175.467 174.700 0.054 0.000 1.122 318 T CA -0.179 61.951 62.100 0.049 0.000 1.095 318 T CB -0.105 68.793 68.868 0.051 0.000 0.930 318 T HN -0.120 nan 8.240 nan 0.000 0.508 319 L N 2.552 123.819 121.223 0.074 0.000 2.416 319 L HA 0.397 4.741 4.340 0.006 0.000 0.272 319 L C 1.737 178.624 176.870 0.028 0.000 1.161 319 L CA -0.167 54.709 54.840 0.060 0.000 0.845 319 L CB 0.519 42.623 42.059 0.075 0.000 1.119 319 L HN 0.179 nan 8.230 nan 0.000 0.464 320 R N 2.077 122.588 120.500 0.018 0.000 2.083 320 R HA -0.109 4.235 4.340 0.006 0.000 0.237 320 R C 0.289 176.583 176.300 -0.011 0.000 1.137 320 R CA 1.435 57.537 56.100 0.003 0.000 0.951 320 R CB 0.268 30.569 30.300 0.000 0.000 0.851 320 R HN 0.754 nan 8.270 nan 0.000 0.434 321 Q N -0.581 119.210 119.800 -0.015 0.000 2.320 321 Q HA 0.316 4.660 4.340 0.006 0.000 0.272 321 Q C -1.939 174.037 176.000 -0.039 0.000 1.023 321 Q CA -0.530 55.251 55.803 -0.036 0.000 0.855 321 Q CB 1.980 30.687 28.738 -0.052 0.000 1.367 321 Q HN 0.228 nan 8.270 nan 0.000 0.406 322 L N 3.754 124.944 121.223 -0.056 0.000 2.445 322 L HA 0.292 4.636 4.340 0.006 0.000 0.252 322 L C 0.891 177.713 176.870 -0.079 0.000 1.105 322 L CA -0.161 54.649 54.840 -0.051 0.000 0.943 322 L CB 1.242 43.256 42.059 -0.075 0.000 1.277 322 L HN 0.842 nan 8.230 nan 0.000 0.465 323 T N -0.285 114.184 114.554 -0.142 0.000 2.680 323 T HA -0.235 4.118 4.350 0.006 0.000 0.268 323 T C 0.789 175.140 174.700 -0.581 0.000 1.033 323 T CA 2.130 63.979 62.100 -0.419 0.000 1.152 323 T CB -0.189 68.326 68.868 -0.590 0.000 0.859 323 T HN 0.566 nan 8.240 nan 0.000 0.452 324 W N 1.228 122.557 121.300 0.048 0.000 3.102 324 W HA 0.519 5.182 4.660 0.005 0.000 0.401 324 W C 1.395 178.049 176.519 0.226 0.000 1.070 324 W CA -0.133 57.269 57.345 0.095 0.000 1.921 324 W CB -0.290 29.188 29.460 0.030 0.000 1.118 324 W HN 0.573 nan 8.180 nan 0.000 0.647 325 G N 1.260 110.196 108.800 0.228 0.000 2.562 325 G HA2 -0.111 3.853 3.960 0.006 0.000 0.250 325 G HA3 -0.111 3.853 3.960 0.006 0.000 0.250 325 G C 0.083 174.975 174.900 -0.014 0.000 1.269 325 G CA 0.285 45.462 45.100 0.128 0.000 0.919 325 G HN 0.430 nan 8.290 nan 0.000 0.574 326 T N -3.049 111.436 114.554 -0.114 0.000 2.778 326 T HA 0.738 5.092 4.350 0.006 0.000 0.293 326 T C 0.041 174.597 174.700 -0.240 0.000 1.144 326 T CA 0.456 62.307 62.100 -0.415 0.000 1.010 326 T CB 2.038 70.801 68.868 -0.174 0.000 1.325 326 T HN 1.597 nan 8.240 nan 0.000 0.515 327 E N 0.760 120.810 120.200 -0.249 0.000 3.306 327 E HA 0.293 4.647 4.350 0.006 0.000 0.197 327 E C -0.351 176.284 176.600 0.057 0.000 0.980 327 E CA -0.526 55.864 56.400 -0.017 0.000 1.259 327 E CB -0.158 29.558 29.700 0.026 0.000 1.112 327 E HN 0.507 nan 8.360 nan 0.000 0.458 328 L N 2.716 124.007 121.223 0.113 0.000 2.376 328 L HA 0.231 4.574 4.340 0.006 0.000 0.250 328 L C 1.023 178.074 176.870 0.302 0.000 1.335 328 L CA 0.103 55.050 54.840 0.177 0.000 1.214 328 L CB -0.561 41.600 42.059 0.170 0.000 1.395 328 L HN 0.503 nan 8.230 nan 0.000 0.424 329 I N -3.622 117.087 120.570 0.231 0.000 4.082 329 I HA 0.292 4.465 4.170 0.006 0.000 0.337 329 I C 1.992 178.208 176.117 0.167 0.000 1.352 329 I CA 0.078 61.523 61.300 0.241 0.000 1.097 329 I CB 0.089 38.244 38.000 0.259 0.000 1.048 329 I HN 0.311 nan 8.210 nan 0.000 0.393 330 G N 3.237 112.113 108.800 0.126 0.000 2.624 330 G HA2 -0.234 3.729 3.960 0.006 0.000 0.221 330 G HA3 -0.234 3.729 3.960 0.006 0.000 0.221 330 G C -0.467 174.489 174.900 0.094 0.000 1.169 330 G CA 1.664 46.813 45.100 0.082 0.000 0.771 330 G HN 0.373 nan 8.290 nan 0.000 0.598 331 P HA -0.013 nan 4.420 nan 0.000 0.218 331 P C 1.909 179.268 177.300 0.098 0.000 1.148 331 P CA 0.641 63.820 63.100 0.131 0.000 0.822 331 P CB -0.142 31.690 31.700 0.221 0.000 0.784 332 L N -2.174 119.093 121.223 0.073 0.000 2.456 332 L HA -0.115 4.228 4.340 0.006 0.000 0.224 332 L C 1.569 178.533 176.870 0.157 0.000 1.148 332 L CA 0.710 55.584 54.840 0.057 0.000 0.825 332 L CB -0.594 41.470 42.059 0.008 0.000 0.937 332 L HN -0.000 nan 8.230 nan 0.000 0.450 333 L N -0.947 120.355 121.223 0.132 0.000 2.529 333 L HA 0.147 4.490 4.340 0.006 0.000 0.223 333 L C 0.601 177.500 176.870 0.047 0.000 1.113 333 L CA 0.738 55.637 54.840 0.098 0.000 0.861 333 L CB -0.169 41.907 42.059 0.029 0.000 1.012 333 L HN 0.068 nan 8.230 nan 0.000 0.461 334 L N -0.958 120.285 121.223 0.032 0.000 2.325 334 L HA 0.282 4.625 4.340 0.006 0.000 0.279 334 L C 1.488 178.357 176.870 -0.002 0.000 1.054 334 L CA -0.137 54.699 54.840 -0.007 0.000 0.804 334 L CB 1.266 43.310 42.059 -0.024 0.000 1.200 334 L HN 0.096 nan 8.230 nan 0.000 0.436 335 T N -2.635 111.903 114.554 -0.027 0.000 3.051 335 T HA 0.190 4.543 4.350 0.006 0.000 0.255 335 T C 0.493 175.185 174.700 -0.013 0.000 1.085 335 T CA 0.138 62.234 62.100 -0.006 0.000 1.109 335 T CB 0.215 69.083 68.868 0.000 0.000 0.921 335 T HN 0.477 nan 8.240 nan 0.000 0.488 336 E N 0.687 120.841 120.200 -0.077 0.000 2.317 336 E HA 0.531 4.884 4.350 0.006 0.000 0.270 336 E C -0.766 175.778 176.600 -0.092 0.000 0.885 336 E CA -0.580 55.778 56.400 -0.071 0.000 0.760 336 E CB 2.560 32.151 29.700 -0.182 0.000 1.227 336 E HN 0.287 nan 8.360 nan 0.000 0.434 337 E N 0.991 121.190 120.200 -0.001 0.000 2.355 337 E HA 0.361 4.714 4.350 0.006 0.000 0.261 337 E C 0.410 177.050 176.600 0.067 0.000 0.943 337 E CA -0.672 55.736 56.400 0.014 0.000 0.806 337 E CB 1.703 31.427 29.700 0.040 0.000 1.286 337 E HN 0.423 nan 8.360 nan 0.000 0.424 338 I N -1.820 118.789 120.570 0.065 0.000 4.081 338 I HA 0.160 4.334 4.170 0.006 0.000 0.333 338 I C 0.269 176.427 176.117 0.069 0.000 1.413 338 I CA -0.395 60.961 61.300 0.093 0.000 1.110 338 I CB 0.584 38.642 38.000 0.096 0.000 1.082 338 I HN 0.100 nan 8.210 nan 0.000 0.402 339 V N -2.295 117.653 119.914 0.058 0.000 3.019 339 V HA 0.609 4.733 4.120 0.006 0.000 0.317 339 V C 0.533 176.656 176.094 0.048 0.000 1.094 339 V CA -0.510 61.819 62.300 0.048 0.000 1.000 339 V CB 1.611 33.459 31.823 0.042 0.000 1.060 339 V HN 0.106 nan 8.190 nan 0.000 0.443 340 N N 0.253 118.977 118.700 0.039 0.000 2.415 340 N HA 0.061 4.805 4.740 0.006 0.000 0.176 340 N C -0.139 175.392 175.510 0.034 0.000 1.042 340 N CA 0.486 53.558 53.050 0.036 0.000 0.902 340 N CB 0.298 38.803 38.487 0.029 0.000 0.986 340 N HN 0.807 nan 8.380 nan 0.000 0.447 341 E N 1.856 122.076 120.200 0.034 0.000 2.081 341 E HA 0.257 4.610 4.350 0.006 0.000 0.276 341 E C -2.238 174.387 176.600 0.041 0.000 0.950 341 E CA -1.759 54.660 56.400 0.032 0.000 0.776 341 E CB 1.298 31.015 29.700 0.027 0.000 1.094 341 E HN 0.185 nan 8.360 nan 0.000 0.402 342 P HA 0.261 nan 4.420 nan 0.000 0.278 342 P C -2.442 174.895 177.300 0.062 0.000 1.238 342 P CA -1.509 61.630 63.100 0.064 0.000 0.794 342 P CB 0.475 32.214 31.700 0.064 0.000 0.955 343 P HA 0.237 nan 4.420 nan 0.000 0.274 343 P C -0.675 176.631 177.300 0.011 0.000 1.231 343 P CA -0.103 63.013 63.100 0.026 0.000 0.790 343 P CB 0.390 32.131 31.700 0.067 0.000 0.951 344 Q N 1.276 121.011 119.800 -0.108 0.000 2.430 344 Q HA 0.316 4.660 4.340 0.006 0.000 0.245 344 Q C -1.143 174.798 176.000 -0.099 0.000 1.021 344 Q CA -0.163 55.609 55.803 -0.051 0.000 0.867 344 Q CB 0.459 29.175 28.738 -0.037 0.000 1.210 344 Q HN 0.442 nan 8.270 nan 0.000 0.487 345 Y N 2.874 123.208 120.300 0.057 0.000 2.369 345 Y HA 0.393 4.946 4.550 0.005 0.000 0.337 345 Y C 0.090 175.981 175.900 -0.015 0.000 0.961 345 Y CA -0.684 57.440 58.100 0.040 0.000 1.186 345 Y CB 0.951 39.391 38.460 -0.034 0.000 1.139 345 Y HN 0.473 nan 8.280 nan 0.000 0.494 346 R N 1.268 121.868 120.500 0.167 0.000 2.643 346 R HA 0.426 4.769 4.340 0.006 0.000 0.269 346 R C -1.490 174.843 176.300 0.055 0.000 1.037 346 R CA -0.925 55.180 56.100 0.008 0.000 0.894 346 R CB 1.460 31.694 30.300 -0.110 0.000 1.238 346 R HN 0.532 nan 8.270 nan 0.000 0.459 347 D N 2.676 122.964 120.400 -0.186 0.000 2.697 347 D HA -0.201 4.443 4.640 0.006 0.000 0.238 347 D C -0.507 175.709 176.300 -0.139 0.000 1.152 347 D CA 1.615 55.440 54.000 -0.291 0.000 0.666 347 D CB -0.828 39.941 40.800 -0.052 0.000 1.037 347 D HN 0.723 nan 8.370 nan 0.000 0.423 348 F N -2.861 117.072 119.950 -0.028 0.000 2.871 348 F HA -0.341 4.190 4.527 0.006 0.000 0.326 348 F C 1.132 176.923 175.800 -0.016 0.000 0.675 348 F CA 1.348 59.319 58.000 -0.048 0.000 1.188 348 F CB -1.859 37.124 39.000 -0.028 0.000 1.567 348 F HN 0.279 nan 8.300 nan 0.000 0.325 349 Q N -0.442 119.419 119.800 0.102 0.000 2.528 349 Q HA 0.767 5.111 4.340 0.006 0.000 0.289 349 Q C -1.187 174.720 176.000 -0.156 0.000 1.091 349 Q CA -1.479 54.297 55.803 -0.045 0.000 0.797 349 Q CB 2.647 31.249 28.738 -0.226 0.000 1.466 349 Q HN 0.116 nan 8.270 nan 0.000 0.436 350 L N 1.158 122.204 121.223 -0.296 0.000 2.296 350 L HA 0.364 4.708 4.340 0.006 0.000 0.286 350 L C -1.249 175.314 176.870 -0.511 0.000 1.023 350 L CA -0.095 54.479 54.840 -0.443 0.000 0.812 350 L CB 0.893 42.734 42.059 -0.363 0.000 1.223 350 L HN 0.525 nan 8.230 nan 0.000 0.421 351 H N 6.466 125.393 119.070 -0.238 0.000 2.488 351 H HA 0.437 4.997 4.556 0.006 0.000 0.322 351 H C -0.694 174.537 175.328 -0.161 0.000 1.078 351 H CA -0.730 55.224 56.048 -0.157 0.000 1.260 351 H CB 1.781 31.471 29.762 -0.120 0.000 1.425 351 H HN 0.420 nan 8.280 nan 0.000 0.471 352 I N 5.908 126.431 120.570 -0.079 0.000 2.339 352 I HA 0.188 4.362 4.170 0.006 0.000 0.290 352 I C -1.962 174.113 176.117 -0.071 0.000 0.994 352 I CA -2.333 58.890 61.300 -0.129 0.000 1.191 352 I CB 1.276 39.105 38.000 -0.286 0.000 1.343 352 I HN 0.334 nan 8.210 nan 0.000 0.458 353 P HA 0.310 nan 4.420 nan 0.000 0.274 353 P C -0.174 177.141 177.300 0.025 0.000 1.256 353 P CA -0.539 62.563 63.100 0.004 0.000 0.795 353 P CB 1.069 32.778 31.700 0.016 0.000 1.038 354 R N -0.374 120.143 120.500 0.028 0.000 2.586 354 R HA 0.167 4.511 4.340 0.006 0.000 0.306 354 R C 0.548 176.874 176.300 0.044 0.000 1.079 354 R CA -0.075 56.049 56.100 0.040 0.000 1.083 354 R CB -0.379 29.935 30.300 0.022 0.000 1.306 354 R HN 0.586 nan 8.270 nan 0.000 0.567 355 T N -1.342 113.242 114.554 0.050 0.000 2.849 355 T HA 0.307 4.660 4.350 0.006 0.000 0.284 355 T C -2.352 172.367 174.700 0.032 0.000 1.004 355 T CA -1.971 60.150 62.100 0.034 0.000 1.021 355 T CB 1.357 70.242 68.868 0.028 0.000 1.013 355 T HN -0.163 nan 8.240 nan 0.000 0.527 356 P HA 0.356 nan 4.420 nan 0.000 0.269 356 P C 1.157 178.432 177.300 -0.040 0.000 1.215 356 P CA 1.140 64.233 63.100 -0.012 0.000 0.780 356 P CB 0.023 31.715 31.700 -0.012 0.000 0.898 357 G N 1.473 110.226 108.800 -0.077 0.000 2.583 357 G HA2 -0.312 3.652 3.960 0.006 0.000 0.292 357 G HA3 -0.312 3.652 3.960 0.006 0.000 0.292 357 G C 0.415 175.162 174.900 -0.255 0.000 1.203 357 G CA 0.050 45.069 45.100 -0.136 0.000 0.987 357 G HN 0.476 nan 8.290 nan 0.000 0.554 358 L N 2.749 123.845 121.223 -0.212 0.000 2.509 358 L HA 0.409 4.753 4.340 0.006 0.000 0.222 358 L C 2.543 179.396 176.870 -0.029 0.000 1.123 358 L CA 2.123 56.827 54.840 -0.226 0.000 0.856 358 L CB -0.627 41.359 42.059 -0.122 0.000 0.985 358 L HN 2.270 nan 8.230 nan 0.000 0.456 359 G N -0.199 108.590 108.800 -0.018 0.000 2.160 359 G HA2 -0.262 3.701 3.960 0.006 0.000 0.251 359 G HA3 -0.262 3.701 3.960 0.006 0.000 0.251 359 G C 0.094 175.007 174.900 0.023 0.000 1.008 359 G CA 0.562 45.678 45.100 0.026 0.000 0.724 359 G HN 0.302 nan 8.290 nan 0.000 0.514 360 L N -0.155 121.073 121.223 0.009 0.000 2.333 360 L HA 0.896 5.239 4.340 0.006 0.000 0.263 360 L C 0.325 177.200 176.870 0.009 0.000 1.014 360 L CA -0.538 54.310 54.840 0.014 0.000 0.820 360 L CB 2.619 44.688 42.059 0.018 0.000 1.352 360 L HN 0.343 nan 8.230 nan 0.000 0.421 361 T N -0.964 113.599 114.554 0.015 0.000 2.912 361 T HA 0.623 4.976 4.350 0.006 0.000 0.299 361 T C -0.608 174.105 174.700 0.021 0.000 1.052 361 T CA -0.789 61.319 62.100 0.014 0.000 0.996 361 T CB 1.289 70.165 68.868 0.013 0.000 1.070 361 T HN 0.327 nan 8.240 nan 0.000 0.465 362 L N 2.198 123.434 121.223 0.021 0.000 2.426 362 L HA 0.370 4.714 4.340 0.006 0.000 0.271 362 L C 0.303 177.192 176.870 0.032 0.000 1.169 362 L CA -0.496 54.361 54.840 0.029 0.000 0.836 362 L CB 0.468 42.544 42.059 0.028 0.000 1.112 362 L HN 0.755 nan 8.230 nan 0.000 0.465 363 D N 2.347 122.773 120.400 0.043 0.000 2.428 363 D HA 0.045 4.689 4.640 0.006 0.000 0.221 363 D C 0.913 177.239 176.300 0.043 0.000 1.123 363 D CA -0.235 53.791 54.000 0.043 0.000 0.869 363 D CB 0.889 41.724 40.800 0.058 0.000 1.032 363 D HN 0.387 nan 8.370 nan 0.000 0.506 364 E N 2.581 122.798 120.200 0.029 0.000 2.160 364 E HA -0.231 4.122 4.350 0.006 0.000 0.195 364 E C 1.323 177.932 176.600 0.016 0.000 0.991 364 E CA 0.878 57.291 56.400 0.022 0.000 0.810 364 E CB 0.187 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 0.449 120.257 119.800 0.012 0.000 2.016 365 Q HA -0.082 4.261 4.340 0.006 0.000 0.200 365 Q C 2.302 178.290 176.000 -0.019 0.000 0.978 365 Q CA 1.078 56.877 55.803 -0.007 0.000 0.833 365 Q CB 0.066 28.802 28.738 -0.004 0.000 0.895 365 Q HN 0.135 nan 8.270 nan 0.000 0.427 366 R N -0.016 120.500 120.500 0.027 0.000 2.115 366 R HA -0.131 4.213 4.340 0.006 0.000 0.230 366 R C 2.312 178.690 176.300 0.129 0.000 1.111 366 R CA 0.726 56.870 56.100 0.074 0.000 0.976 366 R CB -0.253 30.175 30.300 0.215 0.000 0.870 366 R HN 0.210 nan 8.270 nan 0.000 0.445 367 L N 0.720 122.006 121.223 0.106 0.000 2.017 367 L HA -0.107 4.236 4.340 0.006 0.000 0.208 367 L C 2.224 179.132 176.870 0.064 0.000 1.073 367 L CA 2.053 56.957 54.840 0.107 0.000 0.745 367 L CB -0.649 41.452 42.059 0.069 0.000 0.894 367 L HN 0.094 nan 8.230 nan 0.000 0.432 368 A N -0.652 122.176 122.820 0.013 0.000 1.972 368 A HA -0.229 4.094 4.320 0.006 0.000 0.219 368 A C 2.532 180.077 177.584 -0.065 0.000 1.169 368 A CA 1.715 53.743 52.037 -0.016 0.000 0.635 368 A CB -0.643 18.342 19.000 -0.024 0.000 0.810 368 A HN 0.523 nan 8.150 nan 0.000 0.446 369 R N -1.833 118.577 120.500 -0.150 0.000 2.073 369 R HA -0.052 4.291 4.340 0.006 0.000 0.229 369 R C 0.927 176.979 176.300 -0.413 0.000 1.120 369 R CA 1.563 57.448 56.100 -0.357 0.000 0.967 369 R CB -0.192 29.752 30.300 -0.594 0.000 0.862 369 R HN 0.477 nan 8.270 nan 0.000 0.436 370 F N 0.154 120.113 119.950 0.014 0.000 2.695 370 F HA 0.393 4.923 4.527 0.006 0.000 0.303 370 F C 0.745 176.554 175.800 0.015 0.000 1.091 370 F CA -0.320 57.690 58.000 0.016 0.000 1.300 370 F CB 0.166 39.177 39.000 0.018 0.000 1.071 370 F HN -0.025 nan 8.300 nan 0.000 0.578 371 A N 1.605 124.508 122.820 0.139 0.000 2.425 371 A HA 0.536 4.860 4.320 0.006 0.000 0.249 371 A C 0.665 178.289 177.584 0.068 0.000 1.084 371 A CA -0.501 51.592 52.037 0.093 0.000 0.781 371 A CB 0.251 19.286 19.000 0.060 0.000 1.019 371 A HN 0.463 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 0.006 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 0.047 0.000 0.687 372 R HN 0.000 nan 8.270 nan 0.000 0.535