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 3drs_1_A DATA FIRST_RESID 0 DATA SEQUENCE SPISPIETVP VKLKPGMDGP KVKQWPLTEE KIKALVEICT EMEKEGKISK DATA SEQUENCE IGPENPYNTP VFAIKKKDST KWRKLVDFRE LNKRTQDFWE VQLGIPHPAG DATA SEQUENCE LKKNKSVTVL DVGDAYFSVP LDEDFRKYTA FTIPSINNET PGIRYQYNVL DATA SEQUENCE PQGWKGSPAI FQSSMTKILE PFRKQNPDIV IYQYMDDLYV GSDLEIGQHR DATA SEQUENCE TKIEELRQHL LRWGLTTPDK KHQKEPPFLW MGYELHPDKW TVQPIVLPEK DATA SEQUENCE DSWTVNDIQK LVGKLNWASQ IYPGIKVRQL CKLLRGTKAL TEVIPLTEEA DATA SEQUENCE ELELAENREI LKEPVHGVYY DPSKDLIAEI QKQGQGQWTY QIYQEPFKNL DATA SEQUENCE KTGKYARMRG AHTNDVKQLT EAVQKITTES IVIWGKTPKF KLPIQKETWE DATA SEQUENCE TWWTEYWQAT WIPEWEFVNT PPLVKLWYQL EKEPIVGAET FYVDGAANRE DATA SEQUENCE TKLGKAGYVT NRGRQKVVTL TDTTNQKTEL QAIYLALQDS GLEVNIVTDS DATA SEQUENCE QYALGIIQAQ PDQSESELVN QIIEQLIKKE KVYLAWVPAH KGIGGNEQV 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 0 S HA 0.000 nan 4.470 nan 0.000 0.327 0 S C 0.000 174.641 174.600 0.068 0.000 1.055 0 S CA 0.000 58.234 58.200 0.056 0.000 1.107 0 S CB 0.000 63.241 63.200 0.069 0.000 0.593 1 P HA 0.228 nan 4.420 nan 0.000 0.267 1 P C -0.067 177.292 177.300 0.099 0.000 1.195 1 P CA -0.336 62.805 63.100 0.067 0.000 0.773 1 P CB 0.129 31.864 31.700 0.058 0.000 0.837 2 I N -0.465 120.162 120.570 0.096 0.000 3.654 2 I HA 0.132 4.304 4.170 0.004 0.000 0.337 2 I C 0.255 176.452 176.117 0.133 0.000 1.568 2 I CA -0.513 60.861 61.300 0.123 0.000 1.115 2 I CB -1.342 36.727 38.000 0.114 0.000 1.300 2 I HN 0.356 nan 8.210 nan 0.000 0.471 3 S N 3.654 119.441 115.700 0.144 0.000 3.459 3 S HA -0.076 4.396 4.470 0.004 0.000 0.622 3 S C -1.535 173.174 174.600 0.181 0.000 0.790 3 S CA -0.342 57.973 58.200 0.191 0.000 1.329 3 S CB 0.226 63.542 63.200 0.194 0.000 1.315 3 S HN 0.360 nan 8.310 nan 0.000 0.683 4 P HA 0.098 nan 4.420 nan 0.000 0.252 4 P C 0.558 178.022 177.300 0.273 0.000 1.265 4 P CA 0.024 63.205 63.100 0.136 0.000 0.775 4 P CB -0.438 31.236 31.700 -0.043 0.000 1.128 5 I N -2.447 118.322 120.570 0.333 0.000 2.499 5 I HA 0.387 4.560 4.170 0.004 0.000 0.296 5 I C 0.292 176.489 176.117 0.133 0.000 0.992 5 I CA -0.917 60.546 61.300 0.271 0.000 1.297 5 I CB 0.555 38.633 38.000 0.131 0.000 1.410 5 I HN -0.232 nan 8.210 nan 0.000 0.507 6 E N 2.975 123.232 120.200 0.094 0.000 2.485 6 E HA -0.027 4.325 4.350 0.004 0.000 0.266 6 E C -0.485 176.144 176.600 0.047 0.000 1.090 6 E CA 0.596 57.033 56.400 0.062 0.000 0.987 6 E CB 0.523 30.246 29.700 0.038 0.000 0.974 6 E HN 0.707 nan 8.360 nan 0.000 0.455 7 T N 1.019 115.603 114.554 0.051 0.000 2.925 7 T HA 0.340 4.692 4.350 0.004 0.000 0.285 7 T C -0.602 174.125 174.700 0.044 0.000 1.021 7 T CA -0.625 61.507 62.100 0.052 0.000 1.042 7 T CB 1.215 70.124 68.868 0.068 0.000 1.037 7 T HN 0.108 nan 8.240 nan 0.000 0.481 8 V N 6.182 126.123 119.914 0.044 0.000 2.407 8 V HA 0.336 4.458 4.120 0.004 0.000 0.278 8 V C -1.900 174.237 176.094 0.071 0.000 1.037 8 V CA -1.843 60.487 62.300 0.050 0.000 0.900 8 V CB 1.497 33.348 31.823 0.047 0.000 0.983 8 V HN 0.723 nan 8.190 nan 0.000 0.459 9 P HA 0.145 nan 4.420 nan 0.000 0.268 9 P C -0.331 177.010 177.300 0.069 0.000 1.485 9 P CA 0.053 63.197 63.100 0.074 0.000 1.102 9 P CB 0.239 31.975 31.700 0.061 0.000 1.501 10 V N 4.075 124.012 119.914 0.037 0.000 2.811 10 V HA 0.240 4.362 4.120 0.004 0.000 0.302 10 V C 0.806 176.853 176.094 -0.077 0.000 1.063 10 V CA 0.145 62.392 62.300 -0.089 0.000 1.088 10 V CB 0.547 32.152 31.823 -0.364 0.000 0.982 10 V HN 0.402 nan 8.190 nan 0.000 0.485 11 K N 3.094 123.445 120.400 -0.082 0.000 2.542 11 K HA 0.538 4.861 4.320 0.004 0.000 0.259 11 K C -1.284 175.370 176.600 0.091 0.000 0.932 11 K CA -0.822 55.520 56.287 0.093 0.000 0.820 11 K CB 2.548 35.064 32.500 0.027 0.000 1.345 11 K HN 0.441 nan 8.250 nan 0.000 0.432 12 L N 1.909 123.218 121.223 0.142 0.000 2.466 12 L HA 0.313 4.655 4.340 0.004 0.000 0.257 12 L C 0.646 177.513 176.870 -0.005 0.000 1.189 12 L CA -0.508 54.362 54.840 0.050 0.000 0.813 12 L CB 0.166 42.173 42.059 -0.088 0.000 1.118 12 L HN 0.379 nan 8.230 nan 0.000 0.471 13 K N 1.105 121.494 120.400 -0.018 0.000 2.355 13 K HA 0.179 4.502 4.320 0.004 0.000 0.270 13 K C -2.268 174.325 176.600 -0.012 0.000 1.003 13 K CA -1.547 54.723 56.287 -0.028 0.000 0.957 13 K CB 0.028 32.514 32.500 -0.024 0.000 0.939 13 K HN 0.244 nan 8.250 nan 0.000 0.482 14 P HA -0.072 nan 4.420 nan 0.000 0.260 14 P C 0.170 177.476 177.300 0.009 0.000 1.185 14 P CA 0.961 64.062 63.100 0.002 0.000 0.763 14 P CB 0.334 32.031 31.700 -0.004 0.000 0.776 15 G N 2.667 111.479 108.800 0.019 0.000 2.225 15 G HA2 -0.238 3.724 3.960 0.004 0.000 0.264 15 G HA3 -0.238 3.724 3.960 0.004 0.000 0.264 15 G C -0.174 174.742 174.900 0.027 0.000 1.060 15 G CA -0.317 44.798 45.100 0.024 0.000 0.833 15 G HN 0.456 nan 8.290 nan 0.000 0.498 16 M N -0.500 119.115 119.600 0.026 0.000 2.484 16 M HA 0.474 4.956 4.480 0.004 0.000 0.289 16 M C -1.143 175.173 176.300 0.025 0.000 1.206 16 M CA -0.871 54.444 55.300 0.024 0.000 0.892 16 M CB 2.320 34.925 32.600 0.007 0.000 1.712 16 M HN 0.134 nan 8.290 nan 0.000 0.462 17 D N 0.476 120.904 120.400 0.047 0.000 2.374 17 D HA 0.627 5.269 4.640 0.004 0.000 0.239 17 D C 0.019 176.324 176.300 0.008 0.000 0.991 17 D CA 0.083 54.133 54.000 0.083 0.000 0.960 17 D CB 1.912 42.828 40.800 0.193 0.000 1.284 17 D HN 0.710 nan 8.370 nan 0.000 0.512 18 G N 0.864 109.602 108.800 -0.104 0.000 2.760 18 G HA2 0.246 4.208 3.960 0.004 0.000 0.236 18 G HA3 0.246 4.208 3.960 0.004 0.000 0.236 18 G C -2.221 172.694 174.900 0.025 0.000 1.243 18 G CA -0.597 44.300 45.100 -0.338 0.000 0.850 18 G HN 0.422 nan 8.290 nan 0.000 0.595 19 P HA 0.318 nan 4.420 nan 0.000 0.276 19 P C -0.765 176.705 177.300 0.285 0.000 1.252 19 P CA -0.429 62.776 63.100 0.174 0.000 0.802 19 P CB 1.030 32.830 31.700 0.167 0.000 1.035 20 K N 0.743 121.274 120.400 0.218 0.000 3.207 20 K HA 0.250 4.572 4.320 0.004 0.000 0.166 20 K C -0.588 176.097 176.600 0.141 0.000 1.079 20 K CA -0.516 55.886 56.287 0.193 0.000 0.818 20 K CB 1.059 33.657 32.500 0.163 0.000 0.967 20 K HN 0.322 nan 8.250 nan 0.000 0.594 21 V N 0.035 120.038 119.914 0.147 0.000 2.406 21 V HA 0.289 4.411 4.120 0.004 0.000 0.272 21 V C 0.252 176.418 176.094 0.120 0.000 1.043 21 V CA -0.674 61.701 62.300 0.125 0.000 0.915 21 V CB 0.594 32.490 31.823 0.120 0.000 0.988 21 V HN 0.536 nan 8.190 nan 0.000 0.466 22 K N 4.289 124.754 120.400 0.108 0.000 2.489 22 K HA 0.094 4.416 4.320 0.004 0.000 0.278 22 K C 0.008 176.685 176.600 0.129 0.000 1.000 22 K CA 0.177 56.525 56.287 0.101 0.000 1.012 22 K CB 0.554 33.109 32.500 0.092 0.000 0.903 22 K HN 0.879 nan 8.250 nan 0.000 0.485 23 Q N 4.852 124.717 119.800 0.108 0.000 2.295 23 Q HA 0.044 4.386 4.340 0.004 0.000 0.259 23 Q C -1.370 174.709 176.000 0.131 0.000 0.976 23 Q CA -0.426 55.455 55.803 0.130 0.000 0.923 23 Q CB 0.623 29.422 28.738 0.101 0.000 1.185 23 Q HN 0.735 nan 8.270 nan 0.000 0.410 24 W N 7.712 129.027 121.300 0.026 0.000 2.303 24 W HA 0.285 4.948 4.660 0.004 0.000 0.318 24 W C -2.335 174.199 176.519 0.026 0.000 1.362 24 W CA -2.273 55.080 57.345 0.012 0.000 1.234 24 W CB 0.655 30.103 29.460 -0.020 0.000 1.248 24 W HN 0.600 nan 8.180 nan 0.000 0.546 25 P HA -0.152 nan 4.420 nan 0.000 0.255 25 P C -0.253 176.928 177.300 -0.198 0.000 1.151 25 P CA 0.583 63.375 63.100 -0.512 0.000 0.767 25 P CB 0.096 31.330 31.700 -0.777 0.000 0.736 26 L N 3.259 124.471 121.223 -0.018 0.000 2.358 26 L HA 0.412 4.754 4.340 0.004 0.000 0.268 26 L C 1.414 178.319 176.870 0.059 0.000 1.032 26 L CA -0.369 54.536 54.840 0.108 0.000 0.805 26 L CB 0.658 42.794 42.059 0.128 0.000 1.253 26 L HN 0.347 nan 8.230 nan 0.000 0.452 27 T N -2.160 112.451 114.554 0.096 0.000 2.667 27 T HA 0.121 4.473 4.350 0.004 0.000 0.305 27 T C 0.989 175.687 174.700 -0.003 0.000 1.022 27 T CA -0.235 61.899 62.100 0.058 0.000 0.995 27 T CB 0.566 69.493 68.868 0.098 0.000 1.026 27 T HN 0.568 nan 8.240 nan 0.000 0.527 28 E N 0.637 120.832 120.200 -0.008 0.000 2.072 28 E HA -0.123 4.229 4.350 0.004 0.000 0.190 28 E C 2.191 178.740 176.600 -0.085 0.000 0.982 28 E CA 1.477 57.855 56.400 -0.036 0.000 0.803 28 E CB -0.064 29.626 29.700 -0.017 0.000 0.755 28 E HN 0.875 nan 8.360 nan 0.000 0.453 29 E N 1.668 121.818 120.200 -0.082 0.000 2.031 29 E HA -0.173 4.179 4.350 0.004 0.000 0.193 29 E C 2.001 178.311 176.600 -0.482 0.000 0.994 29 E CA 0.954 57.246 56.400 -0.181 0.000 0.800 29 E CB -0.246 29.454 29.700 -0.000 0.000 0.752 29 E HN 0.048 nan 8.360 nan 0.000 0.447 30 K N 0.777 120.910 120.400 -0.444 0.000 2.020 30 K HA -0.171 4.151 4.320 0.004 0.000 0.212 30 K C 2.331 178.698 176.600 -0.388 0.000 1.050 30 K CA 1.698 57.646 56.287 -0.565 0.000 0.929 30 K CB -0.404 31.985 32.500 -0.184 0.000 0.714 30 K HN 0.216 nan 8.250 nan 0.000 0.443 31 I N 1.213 121.660 120.570 -0.204 0.000 2.142 31 I HA -0.306 3.866 4.170 0.004 0.000 0.240 31 I C 2.674 178.695 176.117 -0.161 0.000 1.078 31 I CA 1.291 62.514 61.300 -0.129 0.000 1.343 31 I CB -0.358 37.599 38.000 -0.072 0.000 1.046 31 I HN 0.190 nan 8.210 nan 0.000 0.405 32 K N 1.575 121.865 120.400 -0.183 0.000 2.034 32 K HA -0.264 4.058 4.320 0.004 0.000 0.214 32 K C 2.124 178.603 176.600 -0.201 0.000 1.051 32 K CA 2.061 58.252 56.287 -0.161 0.000 0.931 32 K CB -0.296 32.118 32.500 -0.144 0.000 0.715 32 K HN 0.299 nan 8.250 nan 0.000 0.446 33 A N 1.338 123.933 122.820 -0.375 0.000 1.841 33 A HA -0.180 4.142 4.320 0.004 0.000 0.216 33 A C 2.229 179.680 177.584 -0.222 0.000 1.199 33 A CA 1.932 53.722 52.037 -0.412 0.000 0.621 33 A CB -1.053 17.369 19.000 -0.963 0.000 0.835 33 A HN 0.396 nan 8.150 nan 0.000 0.445 34 L N -0.384 120.705 121.223 -0.222 0.000 2.103 34 L HA -0.265 4.077 4.340 0.004 0.000 0.215 34 L C 2.541 179.404 176.870 -0.012 0.000 1.080 34 L CA 1.600 56.394 54.840 -0.076 0.000 0.764 34 L CB -0.724 41.315 42.059 -0.034 0.000 0.890 34 L HN 0.304 nan 8.230 nan 0.000 0.435 35 V N -0.558 119.337 119.914 -0.031 0.000 2.427 35 V HA -0.269 3.853 4.120 0.004 0.000 0.248 35 V C 2.350 178.444 176.094 -0.000 0.000 1.051 35 V CA 1.735 64.041 62.300 0.011 0.000 1.048 35 V CB -0.310 31.508 31.823 -0.008 0.000 0.666 35 V HN 0.410 nan 8.190 nan 0.000 0.456 36 E N 0.223 120.404 120.200 -0.032 0.000 2.012 36 E HA -0.199 4.153 4.350 0.004 0.000 0.197 36 E C 2.105 178.690 176.600 -0.025 0.000 1.007 36 E CA 1.883 58.268 56.400 -0.024 0.000 0.816 36 E CB -0.250 29.434 29.700 -0.025 0.000 0.762 36 E HN 0.533 nan 8.360 nan 0.000 0.451 37 I N 0.336 120.889 120.570 -0.028 0.000 2.118 37 I HA -0.416 3.756 4.170 0.004 0.000 0.241 37 I C 2.487 178.557 176.117 -0.079 0.000 1.070 37 I CA 0.977 62.255 61.300 -0.037 0.000 1.327 37 I CB -0.525 37.463 38.000 -0.020 0.000 1.034 37 I HN 0.339 nan 8.210 nan 0.000 0.405 38 C N 0.786 120.044 119.300 -0.070 0.000 2.413 38 C HA -0.209 4.254 4.460 0.004 0.000 0.277 38 C C 3.232 178.066 174.990 -0.260 0.000 1.228 38 C CA 1.897 60.798 59.018 -0.195 0.000 1.731 38 C CB -1.358 26.312 27.740 -0.118 0.000 2.042 38 C HN 0.680 nan 8.230 nan 0.000 0.468 39 T N -0.071 114.425 114.554 -0.096 0.000 2.624 39 T HA -0.287 4.066 4.350 0.004 0.000 0.268 39 T C 1.484 176.128 174.700 -0.094 0.000 1.041 39 T CA 2.224 64.291 62.100 -0.056 0.000 1.159 39 T CB -0.520 68.349 68.868 0.003 0.000 0.863 39 T HN 0.435 nan 8.240 nan 0.000 0.434 40 E N 0.995 121.144 120.200 -0.084 0.000 2.035 40 E HA -0.097 4.255 4.350 0.004 0.000 0.204 40 E C 2.299 178.825 176.600 -0.123 0.000 1.025 40 E CA 1.564 57.915 56.400 -0.082 0.000 0.835 40 E CB -0.815 28.846 29.700 -0.065 0.000 0.764 40 E HN 0.621 nan 8.360 nan 0.000 0.457 41 M N 0.305 119.798 119.600 -0.178 0.000 2.113 41 M HA -0.280 4.202 4.480 0.004 0.000 0.255 41 M C 2.299 178.459 176.300 -0.234 0.000 1.073 41 M CA 2.349 57.500 55.300 -0.249 0.000 1.091 41 M CB -0.374 32.025 32.600 -0.335 0.000 1.309 41 M HN 0.210 nan 8.290 nan 0.000 0.407 42 E N 0.184 120.225 120.200 -0.265 0.000 2.150 42 E HA -0.229 4.123 4.350 0.004 0.000 0.193 42 E C 1.778 178.320 176.600 -0.097 0.000 0.985 42 E CA 1.177 57.459 56.400 -0.195 0.000 0.814 42 E CB -0.121 29.459 29.700 -0.201 0.000 0.752 42 E HN 0.496 nan 8.360 nan 0.000 0.466 43 K N 0.152 120.502 120.400 -0.083 0.000 2.103 43 K HA -0.176 4.147 4.320 0.004 0.000 0.207 43 K C 1.918 178.493 176.600 -0.043 0.000 1.048 43 K CA 1.771 58.030 56.287 -0.048 0.000 0.930 43 K CB 0.021 32.497 32.500 -0.041 0.000 0.716 43 K HN 0.077 nan 8.250 nan 0.000 0.444 44 E N -1.216 118.949 120.200 -0.060 0.000 2.358 44 E HA -0.008 4.345 4.350 0.004 0.000 0.195 44 E C 0.946 177.527 176.600 -0.031 0.000 1.010 44 E CA 0.724 57.099 56.400 -0.042 0.000 0.856 44 E CB 0.408 30.076 29.700 -0.053 0.000 0.795 44 E HN 0.490 nan 8.360 nan 0.000 0.504 45 G N 0.595 109.366 108.800 -0.049 0.000 2.176 45 G HA2 -0.349 3.613 3.960 0.004 0.000 0.253 45 G HA3 -0.349 3.613 3.960 0.004 0.000 0.253 45 G C 1.021 175.910 174.900 -0.019 0.000 0.979 45 G CA 0.631 45.717 45.100 -0.024 0.000 0.641 45 G HN 0.223 nan 8.290 nan 0.000 0.530 46 K N 0.010 120.371 120.400 -0.065 0.000 2.209 46 K HA 0.095 4.417 4.320 0.004 0.000 0.204 46 K C 1.591 178.119 176.600 -0.120 0.000 1.048 46 K CA 1.595 57.841 56.287 -0.070 0.000 0.940 46 K CB -0.018 32.330 32.500 -0.253 0.000 0.729 46 K HN 0.869 nan 8.250 nan 0.000 0.451 47 I N -3.434 117.014 120.570 -0.203 0.000 3.145 47 I HA 0.434 4.606 4.170 0.004 0.000 0.313 47 I C -0.870 175.174 176.117 -0.122 0.000 1.122 47 I CA -1.078 60.078 61.300 -0.239 0.000 0.987 47 I CB 2.484 40.206 38.000 -0.463 0.000 1.236 47 I HN -0.343 nan 8.210 nan 0.000 0.453 48 S N 1.218 116.900 115.700 -0.029 0.000 2.548 48 S HA 0.404 4.876 4.470 0.004 0.000 0.276 48 S C -0.819 173.898 174.600 0.193 0.000 1.129 48 S CA -0.743 57.500 58.200 0.072 0.000 0.931 48 S CB 1.884 65.109 63.200 0.041 0.000 1.068 48 S HN 0.546 nan 8.310 nan 0.000 0.480 49 K N 2.665 123.173 120.400 0.180 0.000 2.401 49 K HA 0.355 4.678 4.320 0.004 0.000 0.278 49 K C -0.034 176.520 176.600 -0.076 0.000 1.018 49 K CA 0.097 56.376 56.287 -0.013 0.000 0.981 49 K CB 0.159 32.624 32.500 -0.060 0.000 0.933 49 K HN 0.606 nan 8.250 nan 0.000 0.477 50 I N -0.779 119.694 120.570 -0.161 0.000 3.108 50 I HA 0.635 4.807 4.170 0.004 0.000 0.312 50 I C 0.396 176.429 176.117 -0.140 0.000 1.095 50 I CA -1.159 60.070 61.300 -0.118 0.000 1.000 50 I CB 1.817 39.762 38.000 -0.091 0.000 1.229 50 I HN 0.562 nan 8.210 nan 0.000 0.454 51 G N 1.038 109.774 108.800 -0.105 0.000 2.508 51 G HA2 0.528 4.490 3.960 0.004 0.000 0.278 51 G HA3 0.528 4.490 3.960 0.004 0.000 0.278 51 G C -2.157 172.680 174.900 -0.105 0.000 1.389 51 G CA -0.906 44.133 45.100 -0.101 0.000 1.050 51 G HN 0.618 nan 8.290 nan 0.000 0.522 52 P HA 0.130 nan 4.420 nan 0.000 0.275 52 P C 1.249 178.495 177.300 -0.090 0.000 1.310 52 P CA 0.180 63.226 63.100 -0.089 0.000 0.904 52 P CB 0.715 32.366 31.700 -0.080 0.000 1.381 53 E N 0.275 120.421 120.200 -0.089 0.000 2.110 53 E HA -0.147 4.206 4.350 0.004 0.000 0.193 53 E C 0.692 177.213 176.600 -0.132 0.000 0.988 53 E CA 0.804 57.147 56.400 -0.095 0.000 0.804 53 E CB -1.442 28.210 29.700 -0.081 0.000 0.745 53 E HN 0.116 nan 8.360 nan 0.000 0.458 54 N N 3.444 122.064 118.700 -0.134 0.000 2.406 54 N HA -0.011 4.731 4.740 0.004 0.000 0.274 54 N C -1.466 173.899 175.510 -0.241 0.000 1.249 54 N CA -1.199 51.743 53.050 -0.181 0.000 0.951 54 N CB 1.055 39.482 38.487 -0.100 0.000 1.241 54 N HN -0.050 nan 8.380 nan 0.000 0.485 55 P HA -0.151 nan 4.420 nan 0.000 0.217 55 P C -0.115 176.994 177.300 -0.318 0.000 1.148 55 P CA 1.312 64.159 63.100 -0.421 0.000 0.828 55 P CB -0.024 31.285 31.700 -0.651 0.000 0.783 56 Y N -0.035 120.275 120.300 0.017 0.000 2.314 56 Y HA 0.441 4.994 4.550 0.004 0.000 0.334 56 Y C 1.297 177.240 175.900 0.072 0.000 1.266 56 Y CA -0.589 57.546 58.100 0.059 0.000 1.391 56 Y CB 0.039 38.544 38.460 0.075 0.000 1.306 56 Y HN -0.048 nan 8.280 nan 0.000 0.558 57 N N -0.691 118.191 118.700 0.304 0.000 2.555 57 N HA 0.263 5.005 4.740 0.004 0.000 0.265 57 N C -1.902 173.753 175.510 0.242 0.000 1.135 57 N CA -0.304 52.887 53.050 0.234 0.000 0.925 57 N CB 2.099 40.682 38.487 0.160 0.000 1.662 57 N HN 0.627 nan 8.380 nan 0.000 0.489 58 T N 2.570 117.276 114.554 0.253 0.000 2.876 58 T HA 0.555 4.907 4.350 0.004 0.000 0.289 58 T C -2.636 172.157 174.700 0.155 0.000 1.014 58 T CA -1.012 61.205 62.100 0.194 0.000 0.986 58 T CB 2.245 71.229 68.868 0.194 0.000 1.021 58 T HN 0.346 nan 8.240 nan 0.000 0.458 59 P HA 0.402 nan 4.420 nan 0.000 0.274 59 P C -1.029 176.314 177.300 0.072 0.000 1.231 59 P CA -0.372 62.796 63.100 0.114 0.000 0.790 59 P CB 0.705 32.467 31.700 0.102 0.000 0.951 60 V N 0.602 120.601 119.914 0.142 0.000 2.960 60 V HA 0.710 4.833 4.120 0.004 0.000 0.315 60 V C -0.469 175.795 176.094 0.284 0.000 1.087 60 V CA -0.618 61.762 62.300 0.134 0.000 0.982 60 V CB 1.767 33.695 31.823 0.175 0.000 1.039 60 V HN 0.558 nan 8.190 nan 0.000 0.437 61 F N 0.303 120.272 119.950 0.032 0.000 2.711 61 F HA 0.869 5.398 4.527 0.004 0.000 0.313 61 F C -0.921 174.930 175.800 0.084 0.000 1.141 61 F CA -0.776 57.265 58.000 0.069 0.000 0.941 61 F CB 1.831 40.873 39.000 0.070 0.000 1.349 61 F HN 0.860 nan 8.300 nan 0.000 0.464 62 A N 3.723 126.001 122.820 -0.904 0.000 2.402 62 A HA 0.749 5.071 4.320 0.004 0.000 0.291 62 A C -1.760 175.518 177.584 -0.509 0.000 1.051 62 A CA -0.423 51.326 52.037 -0.479 0.000 0.716 62 A CB 0.664 19.516 19.000 -0.245 0.000 1.223 62 A HN 0.660 nan 8.150 nan 0.000 0.425 63 I N 0.001 120.461 120.570 -0.184 0.000 2.648 63 I HA 0.648 4.820 4.170 0.004 0.000 0.304 63 I C 0.521 176.539 176.117 -0.165 0.000 1.009 63 I CA -0.936 60.291 61.300 -0.122 0.000 1.114 63 I CB 0.724 38.689 38.000 -0.058 0.000 1.293 63 I HN 0.360 nan 8.210 nan 0.000 0.449 64 K N 2.501 122.578 120.400 -0.538 0.000 3.063 64 K HA 0.425 4.747 4.320 0.004 0.000 0.353 64 K C -0.442 175.942 176.600 -0.361 0.000 1.008 64 K CA 0.053 55.868 56.287 -0.786 0.000 1.228 64 K CB 0.113 32.110 32.500 -0.838 0.000 1.165 64 K HN 0.674 nan 8.250 nan 0.000 0.495 65 K N 0.928 121.141 120.400 -0.312 0.000 2.550 65 K HA 0.120 4.442 4.320 0.004 0.000 0.252 65 K C -1.026 175.487 176.600 -0.146 0.000 0.943 65 K CA -0.661 55.520 56.287 -0.177 0.000 0.806 65 K CB 2.214 34.627 32.500 -0.145 0.000 1.289 65 K HN 0.311 nan 8.250 nan 0.000 0.435 66 K N 3.129 123.469 120.400 -0.099 0.000 2.489 66 K HA -0.148 4.174 4.320 0.004 0.000 0.278 66 K C 0.286 176.843 176.600 -0.072 0.000 1.000 66 K CA 1.339 57.580 56.287 -0.077 0.000 1.012 66 K CB 0.414 32.882 32.500 -0.053 0.000 0.903 66 K HN 0.842 nan 8.250 nan 0.000 0.485 67 D N 1.453 121.814 120.400 -0.066 0.000 4.059 67 D HA -0.225 4.418 4.640 0.004 0.000 0.203 67 D C -0.370 175.889 176.300 -0.069 0.000 1.123 67 D CA 1.721 55.687 54.000 -0.056 0.000 2.357 67 D CB -1.203 39.571 40.800 -0.043 0.000 1.180 67 D HN 0.580 nan 8.370 nan 0.000 0.422 68 S N -0.837 114.815 115.700 -0.079 0.000 2.584 68 S HA 0.301 4.773 4.470 0.004 0.000 0.270 68 S C 0.348 174.865 174.600 -0.138 0.000 1.346 68 S CA 1.010 59.156 58.200 -0.091 0.000 1.018 68 S CB 1.135 64.288 63.200 -0.079 0.000 0.899 68 S HN 0.335 nan 8.310 nan 0.000 0.542 69 T N 2.777 117.258 114.554 -0.121 0.000 3.256 69 T HA 0.257 4.610 4.350 0.004 0.000 0.249 69 T C -0.484 174.133 174.700 -0.139 0.000 0.975 69 T CA -0.411 61.597 62.100 -0.152 0.000 1.011 69 T CB -0.227 68.596 68.868 -0.076 0.000 1.127 69 T HN 0.471 nan 8.240 nan 0.000 0.543 70 K N 0.547 120.843 120.400 -0.173 0.000 2.323 70 K HA 0.491 4.814 4.320 0.004 0.000 0.259 70 K C -1.385 175.132 176.600 -0.138 0.000 0.947 70 K CA -0.685 55.552 56.287 -0.082 0.000 0.819 70 K CB 0.930 33.410 32.500 -0.034 0.000 1.109 70 K HN 0.114 nan 8.250 nan 0.000 0.429 71 W N 4.261 125.538 121.300 -0.039 0.000 2.313 71 W HA 0.461 5.123 4.660 0.004 0.000 0.328 71 W C 0.154 176.639 176.519 -0.057 0.000 1.197 71 W CA -0.488 56.821 57.345 -0.061 0.000 1.235 71 W CB 1.138 30.559 29.460 -0.065 0.000 1.158 71 W HN 0.403 nan 8.180 nan 0.000 0.578 72 R N 2.484 123.117 120.500 0.221 0.000 2.574 72 R HA 0.370 4.712 4.340 0.004 0.000 0.288 72 R C -1.049 175.299 176.300 0.079 0.000 1.004 72 R CA -1.248 54.920 56.100 0.114 0.000 0.895 72 R CB 1.621 31.957 30.300 0.060 0.000 1.191 72 R HN 0.469 nan 8.270 nan 0.000 0.444 73 K N 4.282 124.716 120.400 0.057 0.000 2.312 73 K HA 0.266 4.589 4.320 0.004 0.000 0.287 73 K C -0.941 175.679 176.600 0.033 0.000 1.062 73 K CA -0.349 55.951 56.287 0.022 0.000 0.934 73 K CB 0.687 33.188 32.500 0.001 0.000 1.027 73 K HN 0.566 nan 8.250 nan 0.000 0.478 74 L N 4.406 125.652 121.223 0.039 0.000 2.317 74 L HA 0.407 4.749 4.340 0.004 0.000 0.281 74 L C -0.895 175.970 176.870 -0.008 0.000 1.024 74 L CA -1.117 53.761 54.840 0.063 0.000 0.810 74 L CB 2.024 44.181 42.059 0.162 0.000 1.240 74 L HN 0.429 nan 8.230 nan 0.000 0.427 75 V N 1.814 121.658 119.914 -0.117 0.000 2.325 75 V HA 0.134 4.256 4.120 0.004 0.000 0.280 75 V C -0.449 175.402 176.094 -0.404 0.000 1.016 75 V CA -0.665 61.409 62.300 -0.377 0.000 0.818 75 V CB 1.468 32.871 31.823 -0.699 0.000 1.019 75 V HN 0.624 nan 8.190 nan 0.000 0.434 76 D N 3.900 124.176 120.400 -0.207 0.000 2.357 76 D HA 0.079 4.721 4.640 0.004 0.000 0.265 76 D C 0.407 176.665 176.300 -0.069 0.000 1.334 76 D CA 0.082 54.038 54.000 -0.073 0.000 0.984 76 D CB 0.417 41.215 40.800 -0.004 0.000 1.077 76 D HN 0.354 nan 8.370 nan 0.000 0.514 77 F N 2.996 123.016 119.950 0.117 0.000 2.765 77 F HA 0.193 4.722 4.527 0.004 0.000 0.302 77 F C 1.973 177.863 175.800 0.150 0.000 1.111 77 F CA -0.262 57.830 58.000 0.153 0.000 1.359 77 F CB -0.038 39.081 39.000 0.197 0.000 1.097 77 F HN 0.290 nan 8.300 nan 0.000 0.577 78 R N 0.332 120.985 120.500 0.256 0.000 2.196 78 R HA -0.286 4.056 4.340 0.004 0.000 0.227 78 R C 1.915 178.324 176.300 0.182 0.000 1.108 78 R CA 2.147 58.355 56.100 0.179 0.000 0.884 78 R CB -0.932 29.436 30.300 0.113 0.000 0.839 78 R HN 0.078 nan 8.270 nan 0.000 0.431 79 E N 0.627 120.924 120.200 0.163 0.000 2.208 79 E HA -0.216 4.136 4.350 0.004 0.000 0.202 79 E C 1.757 178.461 176.600 0.174 0.000 1.014 79 E CA 1.119 57.607 56.400 0.147 0.000 0.819 79 E CB -0.235 29.546 29.700 0.135 0.000 0.735 79 E HN 0.166 nan 8.360 nan 0.000 0.469 80 L N 0.857 122.234 121.223 0.255 0.000 1.988 80 L HA -0.157 4.186 4.340 0.004 0.000 0.207 80 L C 1.517 178.555 176.870 0.281 0.000 1.071 80 L CA 1.889 56.891 54.840 0.271 0.000 0.744 80 L CB -1.010 41.275 42.059 0.377 0.000 0.893 80 L HN 0.140 nan 8.230 nan 0.000 0.433 81 N N 0.313 119.188 118.700 0.292 0.000 2.061 81 N HA -0.282 4.460 4.740 0.004 0.000 0.193 81 N C 1.857 177.438 175.510 0.118 0.000 1.030 81 N CA 1.662 54.822 53.050 0.185 0.000 0.856 81 N CB -0.460 38.098 38.487 0.118 0.000 1.023 81 N HN 0.397 nan 8.380 nan 0.000 0.424 82 K N 0.705 121.168 120.400 0.106 0.000 2.286 82 K HA -0.044 4.278 4.320 0.004 0.000 0.203 82 K C 1.498 178.135 176.600 0.062 0.000 1.045 82 K CA 1.058 57.387 56.287 0.070 0.000 0.935 82 K CB 0.138 32.680 32.500 0.070 0.000 0.737 82 K HN 0.175 nan 8.250 nan 0.000 0.460 83 R N -0.991 119.560 120.500 0.085 0.000 2.373 83 R HA 0.099 4.441 4.340 0.004 0.000 0.221 83 R C 0.065 176.408 176.300 0.072 0.000 0.893 83 R CA -0.000 56.133 56.100 0.056 0.000 1.049 83 R CB 0.881 31.199 30.300 0.029 0.000 1.119 83 R HN -0.006 nan 8.270 nan 0.000 0.535 84 T N 2.181 116.820 114.554 0.142 0.000 2.868 84 T HA 0.045 4.397 4.350 0.004 0.000 0.292 84 T C 0.298 174.986 174.700 -0.020 0.000 1.028 84 T CA -0.470 61.738 62.100 0.180 0.000 1.059 84 T CB 1.115 70.202 68.868 0.365 0.000 0.991 84 T HN 0.200 nan 8.240 nan 0.000 0.531 85 Q N 1.351 121.050 119.800 -0.170 0.000 2.584 85 Q HA 0.189 4.531 4.340 0.004 0.000 0.235 85 Q C -0.754 174.917 176.000 -0.549 0.000 1.079 85 Q CA -0.416 55.157 55.803 -0.383 0.000 0.977 85 Q CB 0.452 28.874 28.738 -0.527 0.000 1.293 85 Q HN 0.436 nan 8.270 nan 0.000 0.553 86 D N 0.214 120.350 120.400 -0.440 0.000 2.225 86 D HA 0.348 4.990 4.640 0.004 0.000 0.249 86 D C -0.755 175.265 176.300 -0.466 0.000 1.052 86 D CA -0.120 53.706 54.000 -0.289 0.000 0.909 86 D CB 0.719 41.442 40.800 -0.128 0.000 1.186 86 D HN 0.376 nan 8.370 nan 0.000 0.431 87 F N -0.292 119.606 119.950 -0.088 0.000 2.629 87 F HA 0.349 4.878 4.527 0.004 0.000 0.386 87 F C 0.584 176.438 175.800 0.091 0.000 1.135 87 F CA -1.174 56.805 58.000 -0.035 0.000 1.116 87 F CB 0.738 39.669 39.000 -0.116 0.000 1.426 87 F HN 0.261 nan 8.300 nan 0.000 0.501 88 W N 1.932 123.301 121.300 0.115 0.000 2.218 88 W HA 0.141 4.803 4.660 0.003 0.000 0.326 88 W C -0.304 176.225 176.519 0.017 0.000 1.276 88 W CA -0.752 56.612 57.345 0.032 0.000 1.210 88 W CB 0.736 30.205 29.460 0.016 0.000 1.143 88 W HN 0.350 nan 8.180 nan 0.000 0.563 89 E N 3.716 123.320 120.200 -0.994 0.000 2.415 89 E HA -0.055 4.297 4.350 0.004 0.000 0.260 89 E C 1.089 177.147 176.600 -0.903 0.000 1.016 89 E CA 0.112 55.949 56.400 -0.937 0.000 0.924 89 E CB 1.158 30.259 29.700 -0.999 0.000 0.961 89 E HN 0.382 nan 8.360 nan 0.000 0.459 90 V N 2.938 122.588 119.914 -0.439 0.000 2.301 90 V HA -0.266 3.856 4.120 0.004 0.000 0.220 90 V C 1.073 177.027 176.094 -0.232 0.000 0.954 90 V CA 1.644 63.785 62.300 -0.265 0.000 1.009 90 V CB -0.382 31.332 31.823 -0.181 0.000 0.663 90 V HN 0.585 nan 8.190 nan 0.000 0.496 91 Q N -0.035 119.668 119.800 -0.162 0.000 2.293 91 Q HA 0.361 4.703 4.340 0.004 0.000 0.261 91 Q C -0.500 175.437 176.000 -0.106 0.000 0.960 91 Q CA -0.377 55.374 55.803 -0.087 0.000 0.882 91 Q CB 1.338 30.070 28.738 -0.010 0.000 1.275 91 Q HN 0.321 nan 8.270 nan 0.000 0.445 92 L N 2.811 123.981 121.223 -0.088 0.000 2.737 92 L HA 0.558 4.901 4.340 0.004 0.000 0.236 92 L C 0.477 177.329 176.870 -0.029 0.000 1.219 92 L CA 0.606 55.393 54.840 -0.089 0.000 1.021 92 L CB -0.808 41.197 42.059 -0.090 0.000 1.291 92 L HN 0.742 nan 8.230 nan 0.000 0.470 93 G N 0.332 109.133 108.800 0.001 0.000 2.336 93 G HA2 0.335 4.298 3.960 0.004 0.000 0.300 93 G HA3 0.335 4.298 3.960 0.004 0.000 0.300 93 G C -1.557 173.385 174.900 0.070 0.000 1.375 93 G CA -0.652 44.464 45.100 0.027 0.000 0.885 93 G HN 0.073 nan 8.290 nan 0.000 0.599 94 I N -1.214 119.414 120.570 0.097 0.000 2.466 94 I HA 0.709 4.881 4.170 0.004 0.000 0.289 94 I C -1.984 174.191 176.117 0.097 0.000 1.026 94 I CA -2.377 59.027 61.300 0.173 0.000 1.078 94 I CB 1.829 40.013 38.000 0.306 0.000 1.249 94 I HN 0.470 nan 8.210 nan 0.000 0.429 95 P HA -0.137 nan 4.420 nan 0.000 0.266 95 P C -0.821 176.381 177.300 -0.164 0.000 1.162 95 P CA 0.508 63.496 63.100 -0.188 0.000 0.758 95 P CB 0.341 31.778 31.700 -0.438 0.000 0.774 96 H N 3.896 122.782 119.070 -0.307 0.000 2.517 96 H HA 0.171 4.728 4.556 0.003 0.000 0.317 96 H C -1.584 173.404 175.328 -0.568 0.000 1.080 96 H CA -1.976 53.824 56.048 -0.413 0.000 1.301 96 H CB 1.385 30.895 29.762 -0.420 0.000 1.425 96 H HN 0.177 nan 8.280 nan 0.000 0.471 97 P HA -0.212 nan 4.420 nan 0.000 0.218 97 P C 1.157 178.086 177.300 -0.618 0.000 1.154 97 P CA 2.265 64.809 63.100 -0.927 0.000 0.872 97 P CB 0.022 30.669 31.700 -1.755 0.000 0.790 98 A N -0.607 121.884 122.820 -0.548 0.000 2.024 98 A HA -0.098 4.224 4.320 0.004 0.000 0.220 98 A C 2.343 180.032 177.584 0.174 0.000 1.164 98 A CA 1.995 54.044 52.037 0.021 0.000 0.643 98 A CB -1.638 17.444 19.000 0.137 0.000 0.806 98 A HN 0.339 nan 8.150 nan 0.000 0.451 99 G N -1.106 107.628 108.800 -0.110 0.000 2.880 99 G HA2 0.338 4.301 3.960 0.004 0.000 0.209 99 G HA3 0.338 4.301 3.960 0.004 0.000 0.209 99 G C 0.474 175.426 174.900 0.088 0.000 1.157 99 G CA -0.315 44.669 45.100 -0.192 0.000 0.779 99 G HN 0.398 nan 8.290 nan 0.000 0.539 100 L N 2.032 123.318 121.223 0.105 0.000 2.360 100 L HA 0.226 4.568 4.340 0.004 0.000 0.276 100 L C 0.130 177.119 176.870 0.199 0.000 1.121 100 L CA -0.398 54.500 54.840 0.097 0.000 0.845 100 L CB 0.835 42.826 42.059 -0.113 0.000 1.143 100 L HN -0.011 nan 8.230 nan 0.000 0.452 101 K N 4.350 124.861 120.400 0.185 0.000 2.339 101 K HA 0.127 4.450 4.320 0.004 0.000 0.286 101 K C -0.113 176.488 176.600 0.003 0.000 1.050 101 K CA -0.484 55.888 56.287 0.142 0.000 0.956 101 K CB 0.918 33.475 32.500 0.096 0.000 0.990 101 K HN 0.446 nan 8.250 nan 0.000 0.475 102 K N 3.205 123.632 120.400 0.046 0.000 2.489 102 K HA -0.040 4.282 4.320 0.004 0.000 0.278 102 K C -0.620 175.956 176.600 -0.041 0.000 1.000 102 K CA 0.429 56.705 56.287 -0.018 0.000 1.012 102 K CB 0.359 32.977 32.500 0.196 0.000 0.903 102 K HN 0.544 nan 8.250 nan 0.000 0.485 103 N N 2.112 120.763 118.700 -0.081 0.000 2.469 103 N HA 0.192 4.934 4.740 0.004 0.000 0.286 103 N C 0.119 175.596 175.510 -0.055 0.000 1.275 103 N CA -0.955 52.047 53.050 -0.080 0.000 0.790 103 N CB 1.545 39.953 38.487 -0.131 0.000 1.446 103 N HN 0.370 nan 8.380 nan 0.000 0.501 104 K N 0.164 120.515 120.400 -0.081 0.000 1.973 104 K HA 0.018 4.340 4.320 0.004 0.000 0.210 104 K C 0.097 176.647 176.600 -0.082 0.000 1.045 104 K CA 1.198 57.445 56.287 -0.068 0.000 0.937 104 K CB -0.285 32.162 32.500 -0.089 0.000 0.721 104 K HN 0.652 nan 8.250 nan 0.000 0.438 105 S N 0.556 116.125 115.700 -0.218 0.000 2.502 105 S HA 0.444 4.916 4.470 0.004 0.000 0.304 105 S C -0.677 173.804 174.600 -0.199 0.000 1.097 105 S CA -1.017 57.046 58.200 -0.228 0.000 1.045 105 S CB 2.377 65.346 63.200 -0.386 0.000 1.019 105 S HN 0.042 nan 8.310 nan 0.000 0.481 106 V N 2.281 122.266 119.914 0.118 0.000 2.531 106 V HA 0.726 4.848 4.120 0.004 0.000 0.301 106 V C -0.733 175.550 176.094 0.316 0.000 1.034 106 V CA 0.119 62.524 62.300 0.175 0.000 0.865 106 V CB 1.756 33.646 31.823 0.112 0.000 0.995 106 V HN 1.031 nan 8.190 nan 0.000 0.424 107 T N 5.595 120.276 114.554 0.213 0.000 2.856 107 T HA 0.640 4.992 4.350 0.004 0.000 0.283 107 T C -0.843 173.821 174.700 -0.061 0.000 1.008 107 T CA -0.284 61.896 62.100 0.134 0.000 0.997 107 T CB 1.597 70.522 68.868 0.095 0.000 0.992 107 T HN 0.596 nan 8.240 nan 0.000 0.454 108 V N 5.589 125.443 119.914 -0.101 0.000 2.394 108 V HA 0.527 4.649 4.120 0.004 0.000 0.282 108 V C -0.397 175.644 176.094 -0.089 0.000 1.031 108 V CA -0.617 61.585 62.300 -0.164 0.000 0.881 108 V CB 1.145 32.859 31.823 -0.182 0.000 0.982 108 V HN 0.666 nan 8.190 nan 0.000 0.451 109 L N 5.575 126.703 121.223 -0.158 0.000 2.372 109 L HA 0.557 4.899 4.340 0.004 0.000 0.274 109 L C -0.722 176.079 176.870 -0.114 0.000 0.988 109 L CA -0.589 54.190 54.840 -0.102 0.000 0.833 109 L CB 1.967 43.963 42.059 -0.104 0.000 1.236 109 L HN 0.693 nan 8.230 nan 0.000 0.410 110 D N 3.598 123.965 120.400 -0.055 0.000 2.303 110 D HA 0.241 4.883 4.640 0.004 0.000 0.236 110 D C 0.004 176.291 176.300 -0.021 0.000 1.068 110 D CA -0.546 53.428 54.000 -0.043 0.000 0.830 110 D CB 2.643 43.433 40.800 -0.017 0.000 1.109 110 D HN 0.034 nan 8.370 nan 0.000 0.496 111 V N 1.911 121.821 119.914 -0.006 0.000 2.788 111 V HA 0.256 4.378 4.120 0.004 0.000 0.307 111 V C 1.227 177.314 176.094 -0.012 0.000 1.069 111 V CA 0.334 62.649 62.300 0.026 0.000 1.173 111 V CB 1.143 33.039 31.823 0.121 0.000 0.925 111 V HN 0.753 nan 8.190 nan 0.000 0.492 112 G N 2.962 111.768 108.800 0.009 0.000 2.325 112 G HA2 0.463 4.426 3.960 0.004 0.000 0.298 112 G HA3 0.463 4.426 3.960 0.004 0.000 0.298 112 G C -0.290 174.619 174.900 0.014 0.000 1.134 112 G CA -0.352 44.748 45.100 -0.000 0.000 0.876 112 G HN 0.930 nan 8.290 nan 0.000 0.452 113 D N 1.089 121.480 120.400 -0.015 0.000 2.803 113 D HA -0.250 4.392 4.640 0.004 0.000 0.233 113 D C 1.490 177.775 176.300 -0.025 0.000 1.182 113 D CA 0.816 54.821 54.000 0.009 0.000 0.726 113 D CB -1.288 39.613 40.800 0.167 0.000 0.987 113 D HN 0.644 nan 8.370 nan 0.000 0.412 114 A N 0.472 123.169 122.820 -0.204 0.000 1.859 114 A HA -0.261 4.061 4.320 0.004 0.000 0.218 114 A C 1.963 179.543 177.584 -0.007 0.000 1.209 114 A CA 1.773 53.662 52.037 -0.248 0.000 0.639 114 A CB -0.928 17.513 19.000 -0.932 0.000 0.835 114 A HN 0.622 nan 8.150 nan 0.000 0.450 115 Y N -2.206 117.863 120.300 -0.386 0.000 2.224 115 Y HA -0.236 4.316 4.550 0.004 0.000 0.289 115 Y C 2.353 178.210 175.900 -0.072 0.000 1.146 115 Y CA 0.713 58.646 58.100 -0.279 0.000 1.182 115 Y CB -0.321 37.828 38.460 -0.519 0.000 0.983 115 Y HN 0.325 nan 8.280 nan 0.000 0.524 116 F N -0.407 119.675 119.950 0.219 0.000 2.259 116 F HA -0.121 4.408 4.527 0.004 0.000 0.298 116 F C 2.296 178.195 175.800 0.165 0.000 1.088 116 F CA 0.683 58.793 58.000 0.184 0.000 1.358 116 F CB -0.954 38.131 39.000 0.141 0.000 1.040 116 F HN -0.230 nan 8.300 nan 0.000 0.505 117 S N -0.355 115.536 115.700 0.320 0.000 2.786 117 S HA 0.140 4.612 4.470 0.004 0.000 0.223 117 S C 0.244 174.994 174.600 0.250 0.000 0.956 117 S CA 0.160 58.512 58.200 0.253 0.000 0.961 117 S CB -0.601 62.731 63.200 0.219 0.000 0.784 117 S HN 0.061 nan 8.310 nan 0.000 0.519 118 V N 1.198 121.272 119.914 0.267 0.000 2.711 118 V HA 0.491 4.613 4.120 0.004 0.000 0.304 118 V C -2.973 173.233 176.094 0.186 0.000 1.097 118 V CA -2.623 59.806 62.300 0.214 0.000 0.906 118 V CB 2.143 34.084 31.823 0.197 0.000 1.015 118 V HN -0.138 nan 8.190 nan 0.000 0.427 119 P HA 0.023 nan 4.420 nan 0.000 0.263 119 P C -0.838 176.532 177.300 0.116 0.000 1.168 119 P CA 0.332 63.510 63.100 0.130 0.000 0.759 119 P CB 0.377 32.142 31.700 0.108 0.000 0.782 120 L N 3.270 124.565 121.223 0.119 0.000 2.313 120 L HA 0.383 4.725 4.340 0.004 0.000 0.283 120 L C -0.074 176.859 176.870 0.104 0.000 1.013 120 L CA -0.888 54.006 54.840 0.090 0.000 0.816 120 L CB 0.810 42.917 42.059 0.079 0.000 1.236 120 L HN 0.194 nan 8.230 nan 0.000 0.419 121 D N 3.821 124.281 120.400 0.100 0.000 2.819 121 D HA -0.128 4.514 4.640 0.004 0.000 0.236 121 D C 0.996 177.391 176.300 0.158 0.000 1.181 121 D CA 0.727 54.803 54.000 0.127 0.000 0.855 121 D CB 0.756 41.638 40.800 0.137 0.000 1.146 121 D HN 0.713 nan 8.370 nan 0.000 0.540 122 E N 3.203 123.476 120.200 0.122 0.000 2.108 122 E HA -0.279 4.073 4.350 0.004 0.000 0.203 122 E C 1.137 177.804 176.600 0.112 0.000 1.022 122 E CA 1.732 58.195 56.400 0.104 0.000 0.823 122 E CB -0.189 29.558 29.700 0.078 0.000 0.744 122 E HN 0.648 nan 8.360 nan 0.000 0.456 123 D N -0.697 119.785 120.400 0.137 0.000 2.354 123 D HA -0.114 4.529 4.640 0.004 0.000 0.216 123 D C 1.280 177.699 176.300 0.199 0.000 0.970 123 D CA 0.629 54.715 54.000 0.144 0.000 0.905 123 D CB -0.090 40.802 40.800 0.153 0.000 0.903 123 D HN 0.094 nan 8.370 nan 0.000 0.508 124 F N 0.142 120.147 119.950 0.091 0.000 2.559 124 F HA 0.213 4.743 4.527 0.004 0.000 0.286 124 F C 1.826 177.670 175.800 0.073 0.000 1.108 124 F CA -0.007 58.102 58.000 0.182 0.000 1.436 124 F CB 0.233 39.321 39.000 0.146 0.000 1.130 124 F HN -0.306 nan 8.300 nan 0.000 0.584 125 R N 1.128 121.693 120.500 0.109 0.000 2.153 125 R HA -0.291 4.052 4.340 0.004 0.000 0.252 125 R C 2.149 178.411 176.300 -0.063 0.000 1.158 125 R CA 2.062 58.197 56.100 0.058 0.000 0.975 125 R CB -0.745 29.611 30.300 0.094 0.000 0.871 125 R HN 0.325 nan 8.270 nan 0.000 0.450 126 K N 0.293 120.565 120.400 -0.214 0.000 2.242 126 K HA -0.268 4.054 4.320 0.004 0.000 0.206 126 K C 1.138 177.520 176.600 -0.363 0.000 1.045 126 K CA 1.989 58.089 56.287 -0.312 0.000 0.930 126 K CB -0.278 31.937 32.500 -0.475 0.000 0.726 126 K HN 0.393 nan 8.250 nan 0.000 0.462 127 Y N 0.851 120.954 120.300 -0.328 0.000 2.476 127 Y HA 0.005 4.558 4.550 0.004 0.000 0.283 127 Y C 2.362 178.193 175.900 -0.115 0.000 1.109 127 Y CA 0.857 58.683 58.100 -0.456 0.000 1.246 127 Y CB 0.046 37.957 38.460 -0.916 0.000 1.068 127 Y HN 0.258 nan 8.280 nan 0.000 0.552 128 T N -1.130 113.495 114.554 0.118 0.000 3.308 128 T HA 0.260 4.612 4.350 0.004 0.000 0.255 128 T C 0.853 175.881 174.700 0.548 0.000 1.162 128 T CA 0.037 62.354 62.100 0.362 0.000 1.031 128 T CB -0.852 68.219 68.868 0.339 0.000 0.973 128 T HN 0.235 nan 8.240 nan 0.000 0.544 129 A N 1.741 124.777 122.820 0.361 0.000 2.546 129 A HA 0.501 4.823 4.320 0.004 0.000 0.243 129 A C 0.024 177.868 177.584 0.435 0.000 1.063 129 A CA -0.408 51.816 52.037 0.313 0.000 0.757 129 A CB -0.624 18.503 19.000 0.213 0.000 0.991 129 A HN 0.785 nan 8.150 nan 0.000 0.503 130 F N -0.406 119.652 119.950 0.179 0.000 2.629 130 F HA 0.840 5.369 4.527 0.004 0.000 0.316 130 F C -0.375 175.486 175.800 0.103 0.000 1.081 130 F CA -0.928 57.157 58.000 0.142 0.000 0.954 130 F CB 1.487 40.572 39.000 0.141 0.000 1.337 130 F HN 0.284 nan 8.300 nan 0.000 0.474 131 T N 3.051 117.735 114.554 0.218 0.000 2.890 131 T HA 0.496 4.849 4.350 0.004 0.000 0.295 131 T C -0.453 174.313 174.700 0.110 0.000 0.993 131 T CA -0.426 61.704 62.100 0.049 0.000 0.979 131 T CB 1.009 69.894 68.868 0.028 0.000 0.967 131 T HN 0.606 nan 8.240 nan 0.000 0.441 132 I N 5.514 126.116 120.570 0.054 0.000 2.363 132 I HA 0.234 4.406 4.170 0.004 0.000 0.292 132 I C -1.857 174.266 176.117 0.011 0.000 1.075 132 I CA -2.164 59.180 61.300 0.074 0.000 1.333 132 I CB 0.135 38.180 38.000 0.076 0.000 1.415 132 I HN 0.296 nan 8.210 nan 0.000 0.502 133 P HA 0.080 nan 4.420 nan 0.000 0.271 133 P C -0.311 176.969 177.300 -0.034 0.000 1.233 133 P CA -0.164 62.926 63.100 -0.016 0.000 0.789 133 P CB 0.544 32.234 31.700 -0.016 0.000 0.951 134 S N 0.204 115.874 115.700 -0.050 0.000 2.694 134 S HA 0.411 4.884 4.470 0.004 0.000 0.278 134 S C 0.739 175.308 174.600 -0.052 0.000 1.152 134 S CA -0.968 57.201 58.200 -0.052 0.000 1.010 134 S CB 0.142 63.309 63.200 -0.056 0.000 1.104 134 S HN 0.316 nan 8.310 nan 0.000 0.547 135 I N 2.571 123.112 120.570 -0.048 0.000 2.593 135 I HA 0.121 4.294 4.170 0.004 0.000 0.304 135 I C 0.273 176.360 176.117 -0.051 0.000 1.176 135 I CA 0.459 61.732 61.300 -0.045 0.000 1.533 135 I CB -2.279 35.698 38.000 -0.038 0.000 1.492 135 I HN 0.649 nan 8.210 nan 0.000 0.704 136 N N 3.784 122.445 118.700 -0.064 0.000 6.632 136 N HA -0.227 4.515 4.740 0.004 0.000 0.405 136 N C 0.819 176.274 175.510 -0.092 0.000 0.933 136 N CA 0.791 53.792 53.050 -0.081 0.000 1.142 136 N CB -0.574 37.874 38.487 -0.065 0.000 0.879 136 N HN 0.568 nan 8.380 nan 0.000 0.283 137 N N 0.437 119.080 118.700 -0.096 0.000 1.997 137 N HA -0.143 4.599 4.740 0.004 0.000 0.198 137 N C -0.632 174.834 175.510 -0.072 0.000 1.070 137 N CA 1.867 54.861 53.050 -0.093 0.000 0.864 137 N CB -0.248 38.190 38.487 -0.082 0.000 1.066 137 N HN 0.564 nan 8.380 nan 0.000 0.425 138 E N 0.479 120.643 120.200 -0.060 0.000 2.966 138 E HA -0.153 4.199 4.350 0.004 0.000 0.301 138 E C -0.197 176.371 176.600 -0.053 0.000 1.022 138 E CA 0.870 57.240 56.400 -0.051 0.000 1.022 138 E CB -0.131 29.542 29.700 -0.045 0.000 1.097 138 E HN 0.299 nan 8.360 nan 0.000 0.469 139 T N 0.222 114.746 114.554 -0.050 0.000 0.543 139 T HA -0.080 4.272 4.350 0.004 0.000 0.774 139 T C -2.518 172.147 174.700 -0.059 0.000 0.992 139 T CA -0.237 61.831 62.100 -0.054 0.000 4.075 139 T CB -0.679 68.157 68.868 -0.054 0.000 2.302 139 T HN 0.402 nan 8.240 nan 0.000 0.398 140 P HA 0.433 nan 4.420 nan 0.000 0.282 140 P C 0.807 178.058 177.300 -0.082 0.000 1.262 140 P CA 0.027 63.085 63.100 -0.070 0.000 0.773 140 P CB 0.685 32.342 31.700 -0.073 0.000 0.879 141 G N 3.117 111.870 108.800 -0.078 0.000 2.794 141 G HA2 0.140 4.102 3.960 0.004 0.000 0.249 141 G HA3 0.140 4.102 3.960 0.004 0.000 0.249 141 G C -0.173 174.644 174.900 -0.139 0.000 1.236 141 G CA -0.366 44.682 45.100 -0.088 0.000 0.880 141 G HN 0.404 nan 8.290 nan 0.000 0.586 142 I N 0.107 120.571 120.570 -0.177 0.000 2.440 142 I HA 0.351 4.524 4.170 0.004 0.000 0.294 142 I C 0.585 176.437 176.117 -0.443 0.000 0.995 142 I CA -0.240 60.869 61.300 -0.317 0.000 1.306 142 I CB 1.360 39.155 38.000 -0.342 0.000 1.407 142 I HN 0.265 nan 8.210 nan 0.000 0.501 143 R N 5.372 125.536 120.500 -0.560 0.000 2.494 143 R HA 0.589 4.931 4.340 0.004 0.000 0.305 143 R C -1.543 174.340 176.300 -0.694 0.000 0.959 143 R CA -0.886 54.898 56.100 -0.528 0.000 0.864 143 R CB 1.865 31.993 30.300 -0.287 0.000 1.159 143 R HN 0.420 nan 8.270 nan 0.000 0.446 144 Y N 0.504 120.459 120.300 -0.575 0.000 2.634 144 Y HA 0.336 4.888 4.550 0.004 0.000 0.340 144 Y C 0.013 175.638 175.900 -0.459 0.000 1.058 144 Y CA -0.907 56.812 58.100 -0.636 0.000 1.081 144 Y CB 2.208 40.032 38.460 -1.060 0.000 1.295 144 Y HN 0.509 nan 8.280 nan 0.000 0.487 145 Q N -0.441 119.365 119.800 0.009 0.000 2.522 145 Q HA 0.487 4.830 4.340 0.004 0.000 0.285 145 Q C -2.241 173.861 176.000 0.170 0.000 0.982 145 Q CA -1.018 54.891 55.803 0.176 0.000 0.805 145 Q CB 1.850 30.658 28.738 0.115 0.000 1.457 145 Q HN 0.606 nan 8.270 nan 0.000 0.394 146 Y N 1.064 121.507 120.300 0.238 0.000 2.300 146 Y HA 0.274 4.826 4.550 0.004 0.000 0.328 146 Y C 0.565 176.537 175.900 0.120 0.000 1.270 146 Y CA 0.449 58.665 58.100 0.192 0.000 1.352 146 Y CB 1.373 39.959 38.460 0.210 0.000 1.286 146 Y HN 0.810 nan 8.280 nan 0.000 0.536 147 N N -0.505 118.371 118.700 0.292 0.000 2.193 147 N HA 0.141 4.883 4.740 0.004 0.000 0.210 147 N C -0.749 174.896 175.510 0.225 0.000 1.215 147 N CA 0.043 53.209 53.050 0.194 0.000 0.901 147 N CB 1.046 39.607 38.487 0.123 0.000 1.060 147 N HN 0.337 nan 8.380 nan 0.000 0.508 148 V N -1.889 118.228 119.914 0.338 0.000 3.184 148 V HA 0.540 4.663 4.120 0.004 0.000 0.308 148 V C -0.464 175.806 176.094 0.293 0.000 1.243 148 V CA -1.172 61.330 62.300 0.337 0.000 1.058 148 V CB 1.020 33.108 31.823 0.442 0.000 1.183 148 V HN -0.114 nan 8.190 nan 0.000 0.471 149 L N 3.345 124.707 121.223 0.231 0.000 2.325 149 L HA 0.428 4.770 4.340 0.004 0.000 0.284 149 L C -2.086 174.792 176.870 0.014 0.000 1.089 149 L CA -1.490 53.380 54.840 0.049 0.000 0.836 149 L CB 0.930 42.951 42.059 -0.064 0.000 1.184 149 L HN 0.554 nan 8.230 nan 0.000 0.444 150 P HA 0.042 nan 4.420 nan 0.000 0.273 150 P C -0.999 176.314 177.300 0.021 0.000 1.250 150 P CA -0.470 62.434 63.100 -0.327 0.000 0.793 150 P CB 0.717 31.970 31.700 -0.745 0.000 1.011 151 Q N -0.828 119.080 119.800 0.181 0.000 2.256 151 Q HA 0.522 4.864 4.340 0.004 0.000 0.257 151 Q C 0.881 177.066 176.000 0.309 0.000 0.936 151 Q CA 0.602 56.529 55.803 0.207 0.000 0.903 151 Q CB 0.826 29.605 28.738 0.068 0.000 1.263 151 Q HN 0.806 nan 8.270 nan 0.000 0.440 152 G N 1.896 110.842 108.800 0.243 0.000 2.195 152 G HA2 -0.229 3.733 3.960 0.004 0.000 0.224 152 G HA3 -0.229 3.733 3.960 0.004 0.000 0.224 152 G C -0.797 174.244 174.900 0.235 0.000 0.990 152 G CA -0.264 45.006 45.100 0.284 0.000 0.639 152 G HN 0.579 nan 8.290 nan 0.000 0.514 153 W N 2.014 123.216 121.300 -0.163 0.000 2.376 153 W HA 0.694 5.356 4.660 0.004 0.000 0.322 153 W C 1.287 177.653 176.519 -0.255 0.000 1.160 153 W CA -0.569 56.560 57.345 -0.360 0.000 1.218 153 W CB 1.160 30.190 29.460 -0.717 0.000 1.205 153 W HN 0.073 nan 8.180 nan 0.000 0.559 154 K N 2.431 122.074 120.400 -1.263 0.000 2.052 154 K HA -0.183 4.140 4.320 0.004 0.000 0.215 154 K C 1.800 177.626 176.600 -1.291 0.000 1.053 154 K CA 2.369 58.055 56.287 -1.001 0.000 0.934 154 K CB -0.667 31.481 32.500 -0.587 0.000 0.717 154 K HN 0.714 nan 8.250 nan 0.000 0.450 155 G N -1.075 106.298 108.800 -2.377 0.000 3.042 155 G HA2 -0.019 3.943 3.960 0.004 0.000 0.212 155 G HA3 -0.019 3.943 3.960 0.004 0.000 0.212 155 G C 1.012 175.173 174.900 -1.233 0.000 1.166 155 G CA 0.164 43.918 45.100 -2.243 0.000 0.767 155 G HN 0.229 nan 8.290 nan 0.000 0.546 156 S N 2.093 117.230 115.700 -0.939 0.000 2.354 156 S HA -0.099 4.373 4.470 0.004 0.000 0.219 156 S C 0.380 174.486 174.600 -0.824 0.000 1.035 156 S CA 1.592 59.310 58.200 -0.803 0.000 1.037 156 S CB -0.841 61.776 63.200 -0.973 0.000 0.956 156 S HN 0.386 nan 8.310 nan 0.000 0.428 157 P HA -0.142 nan 4.420 nan 0.000 0.216 157 P C 1.311 178.512 177.300 -0.165 0.000 1.153 157 P CA 1.815 64.783 63.100 -0.221 0.000 0.858 157 P CB -0.146 31.462 31.700 -0.155 0.000 0.789 158 A N -0.112 122.525 122.820 -0.307 0.000 1.832 158 A HA -0.140 4.182 4.320 0.004 0.000 0.214 158 A C 2.389 179.861 177.584 -0.187 0.000 1.200 158 A CA 1.585 53.480 52.037 -0.236 0.000 0.610 158 A CB -1.644 17.164 19.000 -0.319 0.000 0.842 158 A HN 0.073 nan 8.150 nan 0.000 0.444 159 I N -1.416 118.979 120.570 -0.292 0.000 2.113 159 I HA -0.307 3.865 4.170 0.004 0.000 0.242 159 I C 2.319 178.360 176.117 -0.126 0.000 1.064 159 I CA 2.107 63.296 61.300 -0.184 0.000 1.320 159 I CB -0.448 37.440 38.000 -0.187 0.000 1.028 159 I HN 0.492 nan 8.210 nan 0.000 0.406 160 F N 0.908 120.724 119.950 -0.223 0.000 2.154 160 F HA -0.320 4.209 4.527 0.003 0.000 0.301 160 F C 2.568 178.321 175.800 -0.077 0.000 1.087 160 F CA 2.142 60.066 58.000 -0.127 0.000 1.274 160 F CB -0.413 38.533 39.000 -0.090 0.000 1.009 160 F HN 0.164 nan 8.300 nan 0.000 0.485 161 Q N 0.024 119.753 119.800 -0.119 0.000 2.062 161 Q HA -0.176 4.167 4.340 0.004 0.000 0.196 161 Q C 2.508 178.379 176.000 -0.215 0.000 0.967 161 Q CA 1.742 57.448 55.803 -0.161 0.000 0.832 161 Q CB -0.458 28.274 28.738 -0.011 0.000 0.899 161 Q HN 0.507 nan 8.270 nan 0.000 0.442 162 S N 0.293 115.910 115.700 -0.138 0.000 2.369 162 S HA -0.220 4.252 4.470 0.004 0.000 0.225 162 S C 2.075 176.573 174.600 -0.170 0.000 1.043 162 S CA 2.150 60.287 58.200 -0.106 0.000 1.074 162 S CB -0.545 62.616 63.200 -0.065 0.000 0.962 162 S HN 0.500 nan 8.310 nan 0.000 0.433 163 S N 1.939 117.504 115.700 -0.225 0.000 2.444 163 S HA -0.206 4.267 4.470 0.004 0.000 0.225 163 S C 1.876 176.277 174.600 -0.331 0.000 1.042 163 S CA 1.896 59.939 58.200 -0.262 0.000 1.132 163 S CB -0.808 62.222 63.200 -0.283 0.000 1.099 163 S HN 0.641 nan 8.310 nan 0.000 0.417 164 M N 1.914 121.222 119.600 -0.487 0.000 2.195 164 M HA -0.180 4.302 4.480 0.004 0.000 0.254 164 M C 1.806 177.945 176.300 -0.269 0.000 1.083 164 M CA 1.831 56.859 55.300 -0.454 0.000 1.069 164 M CB -1.818 30.349 32.600 -0.722 0.000 1.364 164 M HN 0.318 nan 8.290 nan 0.000 0.403 165 T N -0.038 114.386 114.554 -0.216 0.000 2.737 165 T HA -0.135 4.217 4.350 0.004 0.000 0.265 165 T C 1.864 176.486 174.700 -0.129 0.000 1.038 165 T CA 1.737 63.761 62.100 -0.127 0.000 1.144 165 T CB -0.135 68.683 68.868 -0.083 0.000 0.866 165 T HN 0.467 nan 8.240 nan 0.000 0.434 166 K N 0.362 120.662 120.400 -0.166 0.000 2.147 166 K HA 0.069 4.391 4.320 0.004 0.000 0.205 166 K C 2.037 178.480 176.600 -0.260 0.000 1.049 166 K CA 0.948 57.126 56.287 -0.182 0.000 0.936 166 K CB -0.197 32.185 32.500 -0.196 0.000 0.722 166 K HN 0.332 nan 8.250 nan 0.000 0.446 167 I N 0.664 121.025 120.570 -0.347 0.000 2.830 167 I HA -0.225 3.947 4.170 0.004 0.000 0.263 167 I C 1.459 177.514 176.117 -0.103 0.000 1.230 167 I CA 0.847 61.854 61.300 -0.488 0.000 1.480 167 I CB 0.096 37.754 38.000 -0.570 0.000 1.095 167 I HN 0.129 nan 8.210 nan 0.000 0.455 168 L N -0.398 120.785 121.223 -0.066 0.000 2.357 168 L HA 0.008 4.351 4.340 0.004 0.000 0.211 168 L C 2.319 179.200 176.870 0.017 0.000 1.075 168 L CA 0.424 55.269 54.840 0.008 0.000 0.830 168 L CB -0.448 41.594 42.059 -0.028 0.000 0.996 168 L HN 0.104 nan 8.230 nan 0.000 0.467 169 E N 1.141 121.333 120.200 -0.014 0.000 2.172 169 E HA -0.277 4.075 4.350 0.004 0.000 0.213 169 E C -0.696 175.907 176.600 0.005 0.000 1.051 169 E CA 2.386 58.782 56.400 -0.006 0.000 0.860 169 E CB -0.718 28.967 29.700 -0.024 0.000 0.755 169 E HN 0.311 nan 8.360 nan 0.000 0.462 170 P HA -0.187 nan 4.420 nan 0.000 0.212 170 P C 1.457 178.715 177.300 -0.069 0.000 1.180 170 P CA 1.307 64.408 63.100 0.001 0.000 0.906 170 P CB -0.473 31.283 31.700 0.094 0.000 0.782 171 F N 0.809 120.535 119.950 -0.373 0.000 2.250 171 F HA -0.136 4.392 4.527 0.002 0.000 0.301 171 F C 2.591 178.296 175.800 -0.159 0.000 1.077 171 F CA 1.288 59.084 58.000 -0.341 0.000 1.348 171 F CB -0.516 38.211 39.000 -0.455 0.000 1.040 171 F HN -0.275 nan 8.300 nan 0.000 0.509 172 R N 0.162 120.746 120.500 0.139 0.000 2.062 172 R HA -0.152 4.190 4.340 0.004 0.000 0.231 172 R C 2.221 178.511 176.300 -0.016 0.000 1.136 172 R CA 1.541 57.697 56.100 0.093 0.000 0.948 172 R CB -0.299 30.040 30.300 0.064 0.000 0.845 172 R HN -0.034 nan 8.270 nan 0.000 0.430 173 K N 0.762 121.142 120.400 -0.033 0.000 2.059 173 K HA -0.172 4.150 4.320 0.004 0.000 0.212 173 K C 1.617 178.163 176.600 -0.090 0.000 1.050 173 K CA 1.680 57.938 56.287 -0.048 0.000 0.927 173 K CB -0.043 32.437 32.500 -0.033 0.000 0.714 173 K HN 0.323 nan 8.250 nan 0.000 0.447 174 Q N -0.208 119.497 119.800 -0.159 0.000 2.247 174 Q HA 0.110 4.452 4.340 0.004 0.000 0.205 174 Q C -0.471 175.359 176.000 -0.283 0.000 0.896 174 Q CA 0.336 56.015 55.803 -0.206 0.000 0.950 174 Q CB 0.096 28.690 28.738 -0.240 0.000 1.054 174 Q HN 0.163 nan 8.270 nan 0.000 0.482 175 N N 0.281 118.840 118.700 -0.235 0.000 2.620 175 N HA 0.157 4.900 4.740 0.004 0.000 0.277 175 N C -2.462 173.011 175.510 -0.062 0.000 1.726 175 N CA -0.778 52.148 53.050 -0.205 0.000 0.840 175 N CB 1.382 39.627 38.487 -0.403 0.000 1.379 175 N HN -0.081 nan 8.380 nan 0.000 0.506 176 P HA -0.102 nan 4.420 nan 0.000 0.218 176 P C -0.097 177.199 177.300 -0.006 0.000 1.148 176 P CA 1.337 64.427 63.100 -0.017 0.000 0.822 176 P CB 0.178 31.865 31.700 -0.021 0.000 0.784 177 D N -1.584 118.809 120.400 -0.013 0.000 2.328 177 D HA 0.056 4.698 4.640 0.004 0.000 0.226 177 D C 0.044 176.344 176.300 -0.001 0.000 1.066 177 D CA 0.404 54.399 54.000 -0.009 0.000 0.861 177 D CB -0.456 40.336 40.800 -0.013 0.000 0.912 177 D HN 0.188 nan 8.370 nan 0.000 0.521 178 I N 0.595 121.177 120.570 0.020 0.000 2.378 178 I HA 0.186 4.358 4.170 0.004 0.000 0.291 178 I C -0.352 175.774 176.117 0.015 0.000 0.992 178 I CA -1.264 60.064 61.300 0.046 0.000 1.154 178 I CB 1.976 40.067 38.000 0.151 0.000 1.315 178 I HN -0.249 nan 8.210 nan 0.000 0.448 179 V N 7.836 127.709 119.914 -0.067 0.000 2.407 179 V HA 0.521 4.643 4.120 0.004 0.000 0.278 179 V C -0.265 175.705 176.094 -0.208 0.000 1.037 179 V CA -0.349 61.851 62.300 -0.167 0.000 0.900 179 V CB 1.020 32.635 31.823 -0.346 0.000 0.983 179 V HN 0.559 nan 8.190 nan 0.000 0.459 180 I N 7.832 128.351 120.570 -0.086 0.000 2.382 180 I HA 0.378 4.550 4.170 0.004 0.000 0.286 180 I C -1.246 174.985 176.117 0.190 0.000 1.002 180 I CA -0.575 60.711 61.300 -0.024 0.000 1.135 180 I CB 1.382 39.382 38.000 -0.001 0.000 1.288 180 I HN 0.446 nan 8.210 nan 0.000 0.448 181 Y N 5.140 125.455 120.300 0.025 0.000 2.504 181 Y HA 0.321 4.874 4.550 0.005 0.000 0.339 181 Y C 0.332 176.283 175.900 0.084 0.000 0.974 181 Y CA -1.149 56.997 58.100 0.077 0.000 1.232 181 Y CB 0.627 39.157 38.460 0.117 0.000 1.108 181 Y HN 0.501 nan 8.280 nan 0.000 0.509 182 Q N 3.281 123.208 119.800 0.211 0.000 2.324 182 Q HA 0.135 4.478 4.340 0.004 0.000 0.257 182 Q C -1.302 174.822 176.000 0.206 0.000 1.080 182 Q CA -0.078 55.799 55.803 0.123 0.000 0.907 182 Q CB 0.565 29.343 28.738 0.068 0.000 1.274 182 Q HN 0.643 nan 8.270 nan 0.000 0.434 183 Y N 4.858 125.222 120.300 0.106 0.000 2.349 183 Y HA 0.249 4.802 4.550 0.004 0.000 0.324 183 Y C 0.116 176.119 175.900 0.171 0.000 1.005 183 Y CA -0.440 57.783 58.100 0.205 0.000 1.240 183 Y CB 0.462 39.179 38.460 0.430 0.000 1.117 183 Y HN 0.864 nan 8.280 nan 0.000 0.463 184 M N 1.632 120.988 119.600 -0.407 0.000 7.319 184 M HA -0.357 4.125 4.480 0.004 0.000 0.305 184 M C 0.040 176.339 176.300 -0.001 0.000 0.480 184 M CA 2.376 57.510 55.300 -0.277 0.000 1.311 184 M CB -0.708 31.652 32.600 -0.399 0.000 0.421 184 M HN 0.819 nan 8.290 nan 0.000 0.673 185 D N 0.231 120.599 120.400 -0.054 0.000 2.615 185 D HA 0.328 4.970 4.640 0.004 0.000 0.236 185 D C -0.729 175.573 176.300 0.003 0.000 1.233 185 D CA -0.015 53.965 54.000 -0.033 0.000 0.829 185 D CB -0.111 40.494 40.800 -0.325 0.000 1.024 185 D HN 0.261 nan 8.370 nan 0.000 0.490 186 D N 0.041 120.446 120.400 0.008 0.000 2.392 186 D HA 0.528 5.170 4.640 0.004 0.000 0.246 186 D C -0.529 175.600 176.300 -0.286 0.000 1.013 186 D CA -0.546 53.360 54.000 -0.156 0.000 0.993 186 D CB 1.878 42.565 40.800 -0.188 0.000 1.219 186 D HN -0.000 nan 8.370 nan 0.000 0.538 187 L N 1.918 122.828 121.223 -0.522 0.000 2.528 187 L HA 0.298 4.641 4.340 0.004 0.000 0.267 187 L C -1.470 175.035 176.870 -0.607 0.000 0.961 187 L CA -0.683 53.902 54.840 -0.425 0.000 0.866 187 L CB 1.396 43.325 42.059 -0.216 0.000 1.248 187 L HN 0.366 nan 8.230 nan 0.000 0.404 188 Y N 3.093 123.345 120.300 -0.080 0.000 2.369 188 Y HA 0.472 5.023 4.550 0.003 0.000 0.337 188 Y C 0.099 175.875 175.900 -0.206 0.000 0.961 188 Y CA -0.979 57.012 58.100 -0.182 0.000 1.186 188 Y CB 1.737 40.082 38.460 -0.191 0.000 1.139 188 Y HN 0.134 nan 8.280 nan 0.000 0.494 189 V N 3.184 123.059 119.914 -0.065 0.000 2.378 189 V HA 0.750 4.872 4.120 0.004 0.000 0.288 189 V C 0.292 176.397 176.094 0.018 0.000 1.016 189 V CA -0.745 61.525 62.300 -0.051 0.000 0.840 189 V CB 1.246 33.051 31.823 -0.028 0.000 0.994 189 V HN 0.922 nan 8.190 nan 0.000 0.431 190 G N 2.888 111.629 108.800 -0.098 0.000 2.452 190 G HA2 0.771 4.733 3.960 0.004 0.000 0.324 190 G HA3 0.771 4.733 3.960 0.004 0.000 0.324 190 G C -0.581 174.250 174.900 -0.114 0.000 1.214 190 G CA -0.351 44.675 45.100 -0.124 0.000 0.947 190 G HN 0.992 nan 8.290 nan 0.000 0.478 191 S N -0.006 115.570 115.700 -0.207 0.000 2.550 191 S HA 0.411 4.883 4.470 0.004 0.000 0.270 191 S C -1.032 173.444 174.600 -0.207 0.000 1.145 191 S CA -0.825 57.277 58.200 -0.163 0.000 0.852 191 S CB 2.367 65.535 63.200 -0.053 0.000 1.119 191 S HN 0.328 nan 8.310 nan 0.000 0.465 192 D N 1.586 121.918 120.400 -0.113 0.000 2.538 192 D HA 0.292 4.934 4.640 0.004 0.000 0.234 192 D C 0.277 176.539 176.300 -0.064 0.000 1.191 192 D CA 0.035 53.984 54.000 -0.086 0.000 0.828 192 D CB 0.038 40.807 40.800 -0.052 0.000 0.981 192 D HN 0.446 nan 8.370 nan 0.000 0.490 193 L N 0.486 121.662 121.223 -0.078 0.000 2.475 193 L HA 0.126 4.468 4.340 0.004 0.000 0.253 193 L C 0.554 177.419 176.870 -0.007 0.000 1.198 193 L CA -0.310 54.520 54.840 -0.018 0.000 0.814 193 L CB 0.547 42.632 42.059 0.044 0.000 1.134 193 L HN -0.168 nan 8.230 nan 0.000 0.478 194 E N 1.459 121.674 120.200 0.026 0.000 1.996 194 E HA 0.174 4.526 4.350 0.004 0.000 0.280 194 E C 0.948 177.587 176.600 0.064 0.000 1.092 194 E CA -0.113 56.306 56.400 0.032 0.000 0.862 194 E CB 0.508 30.225 29.700 0.028 0.000 1.066 194 E HN 0.366 nan 8.360 nan 0.000 0.396 195 I N 1.604 122.216 120.570 0.071 0.000 4.539 195 I HA -0.498 3.674 4.170 0.004 0.000 0.087 195 I C 2.151 178.350 176.117 0.138 0.000 0.645 195 I CA 2.021 63.389 61.300 0.114 0.000 0.683 195 I CB -1.262 36.786 38.000 0.081 0.000 0.606 195 I HN 0.731 nan 8.210 nan 0.000 0.193 196 G N 0.775 109.627 108.800 0.087 0.000 2.599 196 G HA2 -0.326 3.636 3.960 0.004 0.000 0.219 196 G HA3 -0.326 3.636 3.960 0.004 0.000 0.219 196 G C 1.283 176.229 174.900 0.076 0.000 1.193 196 G CA 1.337 46.479 45.100 0.069 0.000 0.778 196 G HN 0.750 nan 8.290 nan 0.000 0.589 197 Q N -0.174 119.675 119.800 0.080 0.000 2.364 197 Q HA -0.140 4.203 4.340 0.004 0.000 0.209 197 Q C 2.022 178.096 176.000 0.123 0.000 0.977 197 Q CA 1.418 57.269 55.803 0.080 0.000 0.885 197 Q CB -0.621 28.156 28.738 0.064 0.000 0.941 197 Q HN 0.835 nan 8.270 nan 0.000 0.464 198 H N 1.271 120.364 119.070 0.039 0.000 2.284 198 H HA 0.009 4.569 4.556 0.006 0.000 0.304 198 H C 1.735 177.095 175.328 0.054 0.000 1.069 198 H CA 1.140 57.215 56.048 0.046 0.000 1.327 198 H CB 0.371 30.158 29.762 0.041 0.000 1.387 198 H HN 0.099 nan 8.280 nan 0.000 0.498 199 R N 0.119 120.596 120.500 -0.039 0.000 2.153 199 R HA -0.126 4.216 4.340 0.004 0.000 0.252 199 R C 2.524 178.797 176.300 -0.045 0.000 1.158 199 R CA 1.947 57.999 56.100 -0.079 0.000 0.975 199 R CB -0.873 29.428 30.300 0.002 0.000 0.871 199 R HN 0.351 nan 8.270 nan 0.000 0.450 200 T N 0.529 115.087 114.554 0.006 0.000 2.639 200 T HA -0.091 4.261 4.350 0.004 0.000 0.261 200 T C 1.673 176.404 174.700 0.050 0.000 1.053 200 T CA 1.028 63.147 62.100 0.031 0.000 1.158 200 T CB -0.069 68.827 68.868 0.046 0.000 0.863 200 T HN 0.076 nan 8.240 nan 0.000 0.413 201 K N 0.850 121.294 120.400 0.073 0.000 2.113 201 K HA -0.011 4.311 4.320 0.004 0.000 0.208 201 K C 2.227 178.932 176.600 0.175 0.000 1.047 201 K CA 1.061 57.439 56.287 0.153 0.000 0.928 201 K CB -0.710 31.899 32.500 0.181 0.000 0.716 201 K HN 0.412 nan 8.250 nan 0.000 0.446 202 I N 0.774 121.347 120.570 0.006 0.000 2.163 202 I HA -0.304 3.868 4.170 0.004 0.000 0.243 202 I C 2.513 178.620 176.117 -0.017 0.000 1.085 202 I CA 1.464 62.723 61.300 -0.069 0.000 1.347 202 I CB -0.229 37.657 38.000 -0.190 0.000 1.044 202 I HN 0.185 nan 8.210 nan 0.000 0.408 203 E N 1.528 121.735 120.200 0.012 0.000 2.072 203 E HA -0.301 4.051 4.350 0.004 0.000 0.191 203 E C 1.986 178.640 176.600 0.089 0.000 0.985 203 E CA 1.729 58.152 56.400 0.037 0.000 0.801 203 E CB -0.367 29.354 29.700 0.035 0.000 0.750 203 E HN 0.470 nan 8.360 nan 0.000 0.452 204 E N -0.068 120.220 120.200 0.146 0.000 2.267 204 E HA -0.187 4.165 4.350 0.004 0.000 0.197 204 E C 1.937 178.752 176.600 0.358 0.000 0.998 204 E CA 0.834 57.376 56.400 0.236 0.000 0.830 204 E CB -0.129 29.713 29.700 0.238 0.000 0.751 204 E HN 0.416 nan 8.360 nan 0.000 0.491 205 L N 0.525 121.871 121.223 0.206 0.000 2.022 205 L HA -0.084 4.258 4.340 0.004 0.000 0.204 205 L C 2.576 179.433 176.870 -0.021 0.000 1.076 205 L CA 1.227 55.956 54.840 -0.185 0.000 0.749 205 L CB -0.442 41.324 42.059 -0.489 0.000 0.903 205 L HN 0.165 nan 8.230 nan 0.000 0.439 206 R N -0.522 119.968 120.500 -0.017 0.000 2.140 206 R HA -0.278 4.065 4.340 0.004 0.000 0.250 206 R C 2.180 178.514 176.300 0.055 0.000 1.150 206 R CA 1.693 57.800 56.100 0.012 0.000 0.966 206 R CB -0.433 29.873 30.300 0.012 0.000 0.869 206 R HN 0.425 nan 8.270 nan 0.000 0.445 207 Q N 0.086 119.939 119.800 0.088 0.000 2.046 207 Q HA -0.169 4.173 4.340 0.004 0.000 0.200 207 Q C 1.941 178.021 176.000 0.133 0.000 0.975 207 Q CA 1.785 57.646 55.803 0.096 0.000 0.836 207 Q CB -0.477 28.325 28.738 0.107 0.000 0.896 207 Q HN 0.501 nan 8.270 nan 0.000 0.428 208 H N -0.127 119.027 119.070 0.140 0.000 2.387 208 H HA -0.068 4.491 4.556 0.004 0.000 0.299 208 H C 1.923 177.429 175.328 0.296 0.000 1.099 208 H CA 1.796 57.985 56.048 0.234 0.000 1.315 208 H CB -0.127 29.816 29.762 0.303 0.000 1.380 208 H HN 0.166 nan 8.280 nan 0.000 0.513 209 L N -0.601 120.701 121.223 0.131 0.000 2.027 209 L HA -0.130 4.213 4.340 0.004 0.000 0.206 209 L C 2.637 179.569 176.870 0.104 0.000 1.074 209 L CA 1.032 55.934 54.840 0.102 0.000 0.745 209 L CB -0.446 41.646 42.059 0.055 0.000 0.898 209 L HN 0.294 nan 8.230 nan 0.000 0.433 210 L N -0.236 121.021 121.223 0.056 0.000 2.042 210 L HA -0.218 4.124 4.340 0.004 0.000 0.210 210 L C 2.841 179.691 176.870 -0.033 0.000 1.076 210 L CA 1.006 55.862 54.840 0.026 0.000 0.749 210 L CB -0.379 41.689 42.059 0.015 0.000 0.893 210 L HN 0.267 nan 8.230 nan 0.000 0.432 211 R N -0.637 119.797 120.500 -0.110 0.000 2.316 211 R HA -0.227 4.116 4.340 0.004 0.000 0.232 211 R C 1.131 177.090 176.300 -0.567 0.000 1.137 211 R CA 1.459 57.366 56.100 -0.322 0.000 1.012 211 R CB -0.337 29.730 30.300 -0.388 0.000 0.859 211 R HN 0.499 nan 8.270 nan 0.000 0.474 212 W N -1.729 119.500 121.300 -0.119 0.000 2.870 212 W HA 0.263 4.925 4.660 0.003 0.000 0.358 212 W C 1.152 177.646 176.519 -0.042 0.000 1.043 212 W CA 0.359 57.642 57.345 -0.103 0.000 1.692 212 W CB 0.962 30.319 29.460 -0.172 0.000 1.100 212 W HN 0.283 nan 8.180 nan 0.000 0.557 213 G N 0.415 109.313 108.800 0.163 0.000 2.192 213 G HA2 -0.230 3.732 3.960 0.004 0.000 0.193 213 G HA3 -0.230 3.732 3.960 0.004 0.000 0.193 213 G C -0.215 174.765 174.900 0.133 0.000 0.999 213 G CA -0.536 44.647 45.100 0.137 0.000 0.659 213 G HN 0.032 nan 8.290 nan 0.000 0.503 214 L N 2.739 124.043 121.223 0.134 0.000 2.270 214 L HA 0.532 4.874 4.340 0.004 0.000 0.286 214 L C 0.877 177.791 176.870 0.074 0.000 1.059 214 L CA -0.022 54.885 54.840 0.112 0.000 0.839 214 L CB 1.469 43.593 42.059 0.108 0.000 1.221 214 L HN 0.241 nan 8.230 nan 0.000 0.431 215 T N 0.387 114.981 114.554 0.067 0.000 2.782 215 T HA 0.365 4.717 4.350 0.004 0.000 0.298 215 T C 0.405 175.123 174.700 0.029 0.000 0.944 215 T CA -0.481 61.644 62.100 0.042 0.000 1.001 215 T CB 0.421 69.312 68.868 0.039 0.000 0.932 215 T HN 0.680 nan 8.240 nan 0.000 0.524 216 T N 2.821 117.387 114.554 0.019 0.000 2.893 216 T HA 0.807 5.159 4.350 0.004 0.000 0.279 216 T C -2.793 171.911 174.700 0.007 0.000 0.991 216 T CA -1.736 60.368 62.100 0.007 0.000 0.950 216 T CB 1.270 70.136 68.868 -0.004 0.000 1.223 216 T HN 0.476 nan 8.240 nan 0.000 0.585 217 P HA 0.439 nan 4.420 nan 0.000 0.292 217 P C -1.180 176.158 177.300 0.064 0.000 1.300 217 P CA -0.536 62.586 63.100 0.037 0.000 0.900 217 P CB 0.948 32.683 31.700 0.058 0.000 1.139 218 D N 0.452 120.913 120.400 0.103 0.000 2.393 218 D HA 0.172 4.815 4.640 0.004 0.000 0.246 218 D C 0.326 176.686 176.300 0.100 0.000 1.275 218 D CA -0.227 53.832 54.000 0.099 0.000 0.979 218 D CB 0.194 41.065 40.800 0.118 0.000 1.101 218 D HN 0.022 nan 8.370 nan 0.000 0.505 219 K N -0.264 120.172 120.400 0.060 0.000 2.286 219 K HA 0.029 4.351 4.320 0.004 0.000 0.256 219 K C 1.019 177.632 176.600 0.022 0.000 0.999 219 K CA 0.259 56.571 56.287 0.041 0.000 0.908 219 K CB 0.379 32.893 32.500 0.022 0.000 0.981 219 K HN 0.676 nan 8.250 nan 0.000 0.500 220 K N 0.999 121.401 120.400 0.003 0.000 3.658 220 K HA -0.367 3.955 4.320 0.004 0.000 0.372 220 K C 0.710 177.257 176.600 -0.088 0.000 0.598 220 K CA 2.575 58.824 56.287 -0.063 0.000 1.635 220 K CB -1.653 30.761 32.500 -0.143 0.000 1.178 220 K HN 0.909 nan 8.250 nan 0.000 0.470 221 H N 2.240 121.334 119.070 0.040 0.000 2.551 221 H HA 0.148 4.706 4.556 0.004 0.000 0.266 221 H C 0.862 176.221 175.328 0.051 0.000 0.977 221 H CA 0.761 56.834 56.048 0.041 0.000 1.163 221 H CB 0.238 30.019 29.762 0.032 0.000 1.381 221 H HN 0.546 nan 8.280 nan 0.000 0.581 222 Q N 1.482 121.374 119.800 0.154 0.000 2.227 222 Q HA 0.216 4.558 4.340 0.004 0.000 0.245 222 Q C -0.410 175.688 176.000 0.162 0.000 0.926 222 Q CA -1.000 54.886 55.803 0.139 0.000 0.895 222 Q CB 1.567 30.371 28.738 0.110 0.000 1.230 222 Q HN 0.138 nan 8.270 nan 0.000 0.450 223 K N 1.468 121.991 120.400 0.205 0.000 2.494 223 K HA 0.015 4.338 4.320 0.004 0.000 0.273 223 K C -0.418 176.369 176.600 0.312 0.000 0.970 223 K CA 0.420 56.873 56.287 0.277 0.000 0.963 223 K CB 0.230 32.952 32.500 0.370 0.000 0.913 223 K HN 0.589 nan 8.250 nan 0.000 0.502 224 E N 2.434 122.751 120.200 0.195 0.000 2.165 224 E HA 0.219 4.571 4.350 0.004 0.000 0.266 224 E C -2.270 174.216 176.600 -0.191 0.000 0.889 224 E CA -2.229 54.201 56.400 0.050 0.000 0.756 224 E CB 1.597 31.317 29.700 0.034 0.000 1.131 224 E HN 0.439 nan 8.360 nan 0.000 0.411 225 P HA 0.117 nan 4.420 nan 0.000 0.269 225 P C -2.493 174.619 177.300 -0.314 0.000 1.215 225 P CA -1.213 61.301 63.100 -0.976 0.000 0.780 225 P CB -0.365 30.727 31.700 -1.013 0.000 0.898 226 P HA 0.086 nan 4.420 nan 0.000 0.260 226 P C -0.646 176.530 177.300 -0.207 0.000 1.185 226 P CA 0.507 63.509 63.100 -0.163 0.000 0.763 226 P CB -0.242 31.507 31.700 0.082 0.000 0.776 227 F N 3.133 123.132 119.950 0.082 0.000 2.445 227 F HA 0.126 4.655 4.527 0.003 0.000 0.359 227 F C 0.862 176.749 175.800 0.146 0.000 1.101 227 F CA -0.345 57.727 58.000 0.119 0.000 1.177 227 F CB 0.235 39.300 39.000 0.108 0.000 1.110 227 F HN 0.118 nan 8.300 nan 0.000 0.522 228 L N 4.496 125.928 121.223 0.348 0.000 2.934 228 L HA 0.121 4.463 4.340 0.004 0.000 0.233 228 L C -0.307 176.742 176.870 0.298 0.000 1.358 228 L CA -0.544 54.459 54.840 0.271 0.000 1.233 228 L CB -1.317 40.852 42.059 0.183 0.000 1.594 228 L HN 0.570 nan 8.230 nan 0.000 0.439 229 W N 0.620 122.014 121.300 0.157 0.000 2.150 229 W HA 0.212 4.875 4.660 0.005 0.000 0.341 229 W C 1.391 178.007 176.519 0.162 0.000 1.276 229 W CA -0.639 56.755 57.345 0.082 0.000 1.238 229 W CB 0.547 29.962 29.460 -0.075 0.000 1.128 229 W HN 0.385 nan 8.180 nan 0.000 0.581 230 M N 4.793 123.886 119.600 -0.846 0.000 2.277 230 M HA -0.278 4.204 4.480 0.004 0.000 0.194 230 M C 1.127 177.177 176.300 -0.417 0.000 0.372 230 M CA 2.268 57.058 55.300 -0.851 0.000 0.385 230 M CB -1.169 30.398 32.600 -1.722 0.000 1.192 230 M HN 1.044 nan 8.290 nan 0.000 0.901 231 G N -3.138 105.510 108.800 -0.254 0.000 2.184 231 G HA2 -0.243 3.719 3.960 0.004 0.000 0.206 231 G HA3 -0.243 3.719 3.960 0.004 0.000 0.206 231 G C -0.185 174.709 174.900 -0.009 0.000 0.995 231 G CA -0.128 44.803 45.100 -0.281 0.000 0.651 231 G HN 0.607 nan 8.290 nan 0.000 0.511 232 Y N -0.113 120.367 120.300 0.300 0.000 2.650 232 Y HA 0.784 5.337 4.550 0.004 0.000 0.331 232 Y C 0.462 176.520 175.900 0.264 0.000 1.082 232 Y CA -1.167 57.144 58.100 0.352 0.000 1.171 232 Y CB 1.222 39.915 38.460 0.388 0.000 1.326 232 Y HN 0.051 nan 8.280 nan 0.000 0.513 233 E N 0.851 121.301 120.200 0.415 0.000 2.176 233 E HA 0.441 4.793 4.350 0.004 0.000 0.267 233 E C -1.186 175.424 176.600 0.016 0.000 0.893 233 E CA -0.330 56.143 56.400 0.122 0.000 0.761 233 E CB 0.910 30.639 29.700 0.048 0.000 1.133 233 E HN 0.540 nan 8.360 nan 0.000 0.409 234 L N 4.693 125.903 121.223 -0.021 0.000 3.096 234 L HA 0.279 4.621 4.340 0.004 0.000 0.247 234 L C -0.272 176.662 176.870 0.107 0.000 1.321 234 L CA -0.464 54.467 54.840 0.151 0.000 1.044 234 L CB -0.545 41.711 42.059 0.328 0.000 1.434 234 L HN 0.599 nan 8.230 nan 0.000 0.533 235 H N -0.556 118.674 119.070 0.267 0.000 2.935 235 H HA -0.046 4.512 4.556 0.003 0.000 0.376 235 H C -1.359 174.145 175.328 0.293 0.000 1.307 235 H CA -1.017 55.139 56.048 0.180 0.000 1.442 235 H CB -0.146 29.696 29.762 0.132 0.000 1.427 235 H HN 0.029 nan 8.280 nan 0.000 0.615 236 P HA -0.139 nan 4.420 nan 0.000 0.215 236 P C 0.071 177.617 177.300 0.411 0.000 1.153 236 P CA 1.555 64.827 63.100 0.287 0.000 0.853 236 P CB 0.322 32.125 31.700 0.172 0.000 0.788 237 D N -1.234 119.393 120.400 0.379 0.000 2.599 237 D HA 0.134 4.776 4.640 0.004 0.000 0.249 237 D C 0.481 176.899 176.300 0.198 0.000 1.313 237 D CA 0.155 54.360 54.000 0.342 0.000 0.815 237 D CB 0.601 41.521 40.800 0.200 0.000 1.077 237 D HN 0.384 nan 8.370 nan 0.000 0.492 238 K N -0.317 120.194 120.400 0.185 0.000 2.615 238 K HA 0.560 4.882 4.320 0.004 0.000 0.291 238 K C -1.336 175.327 176.600 0.106 0.000 1.017 238 K CA -1.174 55.105 56.287 -0.013 0.000 0.882 238 K CB 1.912 34.592 32.500 0.300 0.000 1.522 238 K HN 0.022 nan 8.250 nan 0.000 0.412 239 W N -0.396 120.865 121.300 -0.065 0.000 2.988 239 W HA 0.744 5.405 4.660 0.001 0.000 0.355 239 W C -1.656 174.946 176.519 0.140 0.000 1.233 239 W CA -0.724 56.666 57.345 0.075 0.000 1.176 239 W CB 1.164 30.655 29.460 0.051 0.000 1.477 239 W HN 0.987 nan 8.180 nan 0.000 0.582 240 T N -0.443 114.327 114.554 0.362 0.000 2.800 240 T HA 0.339 4.691 4.350 0.004 0.000 0.327 240 T C -0.709 174.314 174.700 0.537 0.000 1.838 240 T CA -0.099 62.064 62.100 0.104 0.000 1.024 240 T CB 0.508 69.420 68.868 0.073 0.000 1.755 240 T HN 1.145 nan 8.240 nan 0.000 0.507 241 V N 1.387 121.547 119.914 0.410 0.000 3.287 241 V HA 0.427 4.550 4.120 0.004 0.000 0.306 241 V C 0.637 176.948 176.094 0.363 0.000 1.103 241 V CA -0.372 62.157 62.300 0.381 0.000 1.159 241 V CB 0.029 31.976 31.823 0.206 0.000 1.036 241 V HN 0.985 nan 8.190 nan 0.000 0.487 242 Q N 1.324 121.333 119.800 0.348 0.000 2.243 242 Q HA 0.354 4.697 4.340 0.004 0.000 0.252 242 Q C -2.358 173.742 176.000 0.168 0.000 0.909 242 Q CA -1.835 54.100 55.803 0.220 0.000 0.922 242 Q CB 1.074 29.893 28.738 0.135 0.000 1.215 242 Q HN 0.641 nan 8.270 nan 0.000 0.427 243 P HA -0.204 nan 4.420 nan 0.000 0.244 243 P C -1.123 176.206 177.300 0.049 0.000 1.080 243 P CA 1.302 64.452 63.100 0.084 0.000 0.794 243 P CB -0.104 31.637 31.700 0.069 0.000 0.689 244 I N 3.416 124.000 120.570 0.023 0.000 2.307 244 I HA 0.224 4.397 4.170 0.004 0.000 0.289 244 I C 0.589 176.695 176.117 -0.019 0.000 1.021 244 I CA -0.930 60.365 61.300 -0.008 0.000 1.224 244 I CB 1.675 39.640 38.000 -0.058 0.000 1.376 244 I HN 0.064 nan 8.210 nan 0.000 0.470 245 V N 8.519 128.431 119.914 -0.003 0.000 2.311 245 V HA 0.414 4.536 4.120 0.004 0.000 0.275 245 V C -0.174 175.933 176.094 0.022 0.000 1.022 245 V CA -0.441 61.862 62.300 0.005 0.000 0.830 245 V CB 0.985 32.812 31.823 0.007 0.000 1.012 245 V HN 0.541 nan 8.190 nan 0.000 0.452 246 L N 8.596 129.837 121.223 0.030 0.000 2.281 246 L HA 0.503 4.846 4.340 0.004 0.000 0.285 246 L C -1.995 174.945 176.870 0.116 0.000 1.074 246 L CA -1.810 53.076 54.840 0.078 0.000 0.817 246 L CB 0.864 42.958 42.059 0.058 0.000 1.168 246 L HN 0.412 nan 8.230 nan 0.000 0.434 247 P HA 0.005 nan 4.420 nan 0.000 0.261 247 P C -0.621 176.754 177.300 0.124 0.000 1.203 247 P CA 0.020 63.174 63.100 0.090 0.000 0.767 247 P CB 0.279 31.994 31.700 0.024 0.000 0.785 248 E N 4.216 124.441 120.200 0.041 0.000 2.259 248 E HA 0.253 4.605 4.350 0.004 0.000 0.281 248 E C 0.126 176.665 176.600 -0.101 0.000 1.037 248 E CA -0.433 55.995 56.400 0.047 0.000 0.854 248 E CB 1.253 30.971 29.700 0.030 0.000 1.051 248 E HN 0.482 nan 8.360 nan 0.000 0.409 249 K N 2.782 123.089 120.400 -0.155 0.000 2.561 249 K HA 0.143 4.465 4.320 0.004 0.000 0.254 249 K C -0.624 175.793 176.600 -0.305 0.000 0.942 249 K CA -0.554 55.505 56.287 -0.381 0.000 0.818 249 K CB 1.706 33.723 32.500 -0.805 0.000 1.306 249 K HN 0.040 nan 8.250 nan 0.000 0.435 250 D N 1.238 121.514 120.400 -0.206 0.000 2.205 250 D HA -0.134 4.508 4.640 0.004 0.000 0.190 250 D C -0.141 176.081 176.300 -0.129 0.000 1.002 250 D CA 1.975 55.905 54.000 -0.116 0.000 0.848 250 D CB 0.126 40.864 40.800 -0.104 0.000 0.975 250 D HN 0.585 nan 8.370 nan 0.000 0.449 251 S N -1.357 114.200 115.700 -0.239 0.000 2.513 251 S HA 0.536 5.008 4.470 0.004 0.000 0.299 251 S C -1.186 173.241 174.600 -0.289 0.000 1.087 251 S CA -0.881 57.228 58.200 -0.152 0.000 1.012 251 S CB 1.336 64.504 63.200 -0.052 0.000 1.044 251 S HN 0.169 nan 8.310 nan 0.000 0.485 252 W N 1.926 123.219 121.300 -0.012 0.000 2.429 252 W HA 0.541 5.203 4.660 0.003 0.000 0.314 252 W C 0.783 177.294 176.519 -0.013 0.000 1.062 252 W CA -0.539 56.798 57.345 -0.013 0.000 1.211 252 W CB 1.230 30.682 29.460 -0.014 0.000 1.305 252 W HN 0.745 nan 8.180 nan 0.000 0.476 253 T N -1.688 112.974 114.554 0.180 0.000 2.936 253 T HA 0.335 4.687 4.350 0.004 0.000 0.282 253 T C 0.941 175.711 174.700 0.116 0.000 1.003 253 T CA -0.764 61.400 62.100 0.106 0.000 1.005 253 T CB 1.187 70.082 68.868 0.045 0.000 1.097 253 T HN 0.221 nan 8.240 nan 0.000 0.532 254 V N 1.444 121.400 119.914 0.070 0.000 2.250 254 V HA -0.244 3.878 4.120 0.004 0.000 0.250 254 V C 2.801 178.929 176.094 0.056 0.000 1.060 254 V CA 2.541 64.873 62.300 0.053 0.000 1.030 254 V CB -1.558 30.283 31.823 0.030 0.000 0.643 254 V HN 0.994 nan 8.190 nan 0.000 0.445 255 N N 0.434 119.164 118.700 0.049 0.000 2.104 255 N HA -0.198 4.544 4.740 0.004 0.000 0.190 255 N C 1.527 177.083 175.510 0.077 0.000 1.024 255 N CA 1.870 54.946 53.050 0.043 0.000 0.853 255 N CB -0.340 38.161 38.487 0.024 0.000 1.008 255 N HN 0.536 nan 8.380 nan 0.000 0.424 256 D N 0.238 120.713 120.400 0.125 0.000 2.097 256 D HA -0.125 4.517 4.640 0.004 0.000 0.195 256 D C 1.983 178.464 176.300 0.300 0.000 0.989 256 D CA 1.145 55.283 54.000 0.230 0.000 0.827 256 D CB -0.175 40.816 40.800 0.319 0.000 0.966 256 D HN 0.435 nan 8.370 nan 0.000 0.456 257 I N 0.548 121.255 120.570 0.229 0.000 2.252 257 I HA -0.220 3.953 4.170 0.004 0.000 0.245 257 I C 2.457 178.590 176.117 0.026 0.000 1.102 257 I CA 0.947 62.287 61.300 0.066 0.000 1.385 257 I CB -0.854 37.150 38.000 0.006 0.000 1.064 257 I HN -0.011 nan 8.210 nan 0.000 0.414 258 Q N 1.576 121.400 119.800 0.039 0.000 2.002 258 Q HA -0.234 4.108 4.340 0.004 0.000 0.204 258 Q C 2.309 178.320 176.000 0.018 0.000 0.988 258 Q CA 2.041 57.855 55.803 0.018 0.000 0.843 258 Q CB -0.082 28.666 28.738 0.016 0.000 0.908 258 Q HN 0.399 nan 8.270 nan 0.000 0.420 259 K N 0.391 120.811 120.400 0.035 0.000 2.113 259 K HA -0.178 4.145 4.320 0.004 0.000 0.208 259 K C 1.991 178.610 176.600 0.031 0.000 1.047 259 K CA 1.101 57.404 56.287 0.026 0.000 0.928 259 K CB -0.253 32.269 32.500 0.037 0.000 0.716 259 K HN 0.199 nan 8.250 nan 0.000 0.446 260 L N 0.607 121.862 121.223 0.053 0.000 1.976 260 L HA -0.217 4.126 4.340 0.004 0.000 0.209 260 L C 2.087 178.948 176.870 -0.015 0.000 1.071 260 L CA 1.590 56.445 54.840 0.024 0.000 0.746 260 L CB -0.369 41.673 42.059 -0.028 0.000 0.890 260 L HN 0.052 nan 8.230 nan 0.000 0.432 261 V N 0.317 120.215 119.914 -0.028 0.000 2.324 261 V HA -0.271 3.851 4.120 0.004 0.000 0.250 261 V C 2.673 178.770 176.094 0.006 0.000 1.060 261 V CA 1.884 64.169 62.300 -0.025 0.000 1.042 261 V CB -1.425 30.382 31.823 -0.027 0.000 0.650 261 V HN 0.682 nan 8.190 nan 0.000 0.450 262 G N -0.025 108.782 108.800 0.013 0.000 2.480 262 G HA2 -0.303 3.659 3.960 0.004 0.000 0.216 262 G HA3 -0.303 3.659 3.960 0.004 0.000 0.216 262 G C 1.611 176.551 174.900 0.066 0.000 1.200 262 G CA 1.161 46.279 45.100 0.029 0.000 0.782 262 G HN 0.478 nan 8.290 nan 0.000 0.554 263 K N -0.003 120.422 120.400 0.041 0.000 2.152 263 K HA 0.088 4.410 4.320 0.004 0.000 0.206 263 K C 2.467 179.133 176.600 0.109 0.000 1.048 263 K CA 0.562 56.895 56.287 0.076 0.000 0.933 263 K CB -0.272 32.245 32.500 0.028 0.000 0.721 263 K HN 0.263 nan 8.250 nan 0.000 0.447 264 L N 0.812 122.065 121.223 0.050 0.000 1.994 264 L HA -0.223 4.119 4.340 0.004 0.000 0.208 264 L C 1.926 178.828 176.870 0.053 0.000 1.071 264 L CA 1.201 56.053 54.840 0.021 0.000 0.745 264 L CB -0.477 41.573 42.059 -0.016 0.000 0.892 264 L HN 0.275 nan 8.230 nan 0.000 0.431 265 N N -0.478 118.269 118.700 0.077 0.000 2.104 265 N HA -0.262 4.481 4.740 0.004 0.000 0.190 265 N C 1.481 177.079 175.510 0.147 0.000 1.024 265 N CA 1.316 54.421 53.050 0.092 0.000 0.853 265 N CB -0.436 38.108 38.487 0.094 0.000 1.008 265 N HN 0.473 nan 8.380 nan 0.000 0.424 266 W N 1.825 123.121 121.300 -0.007 0.000 2.335 266 W HA -0.185 4.477 4.660 0.004 0.000 0.311 266 W C 1.868 178.410 176.519 0.039 0.000 1.213 266 W CA 1.775 59.119 57.345 -0.002 0.000 1.274 266 W CB -0.176 29.251 29.460 -0.054 0.000 1.148 266 W HN 0.076 nan 8.180 nan 0.000 0.498 267 A N 0.508 123.374 122.820 0.078 0.000 2.015 267 A HA -0.201 4.122 4.320 0.004 0.000 0.219 267 A C 1.889 179.484 177.584 0.019 0.000 1.163 267 A CA 1.950 53.977 52.037 -0.017 0.000 0.646 267 A CB -1.180 17.769 19.000 -0.086 0.000 0.806 267 A HN 0.365 nan 8.150 nan 0.000 0.448 268 S N -0.920 114.783 115.700 0.005 0.000 2.603 268 S HA -0.087 4.385 4.470 0.004 0.000 0.229 268 S C 1.495 176.088 174.600 -0.012 0.000 0.972 268 S CA 0.964 59.170 58.200 0.011 0.000 0.935 268 S CB -0.251 62.947 63.200 -0.004 0.000 0.769 268 S HN 0.642 nan 8.310 nan 0.000 0.536 269 Q N -0.268 119.520 119.800 -0.019 0.000 2.297 269 Q HA 0.255 4.598 4.340 0.004 0.000 0.204 269 Q C 1.495 177.568 176.000 0.123 0.000 0.962 269 Q CA 1.165 57.007 55.803 0.065 0.000 0.879 269 Q CB 0.026 28.852 28.738 0.148 0.000 0.947 269 Q HN 0.686 nan 8.270 nan 0.000 0.462 270 I N -2.305 118.301 120.570 0.060 0.000 4.983 270 I HA 0.078 4.250 4.170 0.004 0.000 0.346 270 I C -1.032 174.998 176.117 -0.145 0.000 1.261 270 I CA -0.083 61.172 61.300 -0.075 0.000 1.406 270 I CB 0.969 38.800 38.000 -0.282 0.000 1.529 270 I HN -0.112 nan 8.210 nan 0.000 0.524 271 Y N 3.300 123.541 120.300 -0.099 0.000 2.367 271 Y HA 0.461 5.014 4.550 0.005 0.000 0.342 271 Y C -2.185 173.662 175.900 -0.088 0.000 0.979 271 Y CA -2.447 55.603 58.100 -0.084 0.000 1.161 271 Y CB 0.590 39.016 38.460 -0.057 0.000 1.155 271 Y HN -0.028 nan 8.280 nan 0.000 0.503 272 P HA 0.066 nan 4.420 nan 0.000 0.271 272 P C 0.350 177.636 177.300 -0.024 0.000 1.226 272 P CA 0.769 63.837 63.100 -0.053 0.000 0.765 272 P CB 0.733 32.380 31.700 -0.090 0.000 0.835 273 G N 3.875 112.651 108.800 -0.041 0.000 2.272 273 G HA2 -0.212 3.750 3.960 0.004 0.000 0.280 273 G HA3 -0.212 3.750 3.960 0.004 0.000 0.280 273 G C 0.066 174.954 174.900 -0.020 0.000 1.067 273 G CA -0.562 44.518 45.100 -0.034 0.000 0.902 273 G HN 0.453 nan 8.290 nan 0.000 0.500 274 I N 0.299 120.863 120.570 -0.011 0.000 2.371 274 I HA 0.268 4.440 4.170 0.004 0.000 0.290 274 I C 0.830 176.932 176.117 -0.025 0.000 1.028 274 I CA 0.036 61.329 61.300 -0.011 0.000 1.345 274 I CB 0.802 38.802 38.000 -0.000 0.000 1.407 274 I HN 0.138 nan 8.210 nan 0.000 0.501 275 K N 4.885 125.263 120.400 -0.036 0.000 2.139 275 K HA 0.649 4.972 4.320 0.004 0.000 0.243 275 K C 0.076 176.647 176.600 -0.048 0.000 0.983 275 K CA -0.700 55.561 56.287 -0.043 0.000 0.890 275 K CB 2.474 34.943 32.500 -0.052 0.000 1.090 275 K HN 0.384 nan 8.250 nan 0.000 0.445 276 V N 0.002 119.887 119.914 -0.048 0.000 3.509 276 V HA 0.046 4.168 4.120 0.004 0.000 0.286 276 V C 1.681 177.742 176.094 -0.056 0.000 1.618 276 V CA -0.216 62.052 62.300 -0.053 0.000 1.088 276 V CB 0.203 32.004 31.823 -0.037 0.000 0.909 276 V HN 0.752 nan 8.190 nan 0.000 0.429 277 R N 0.761 121.229 120.500 -0.053 0.000 2.070 277 R HA -0.190 4.153 4.340 0.004 0.000 0.232 277 R C 2.279 178.545 176.300 -0.056 0.000 1.138 277 R CA 2.055 58.125 56.100 -0.050 0.000 0.936 277 R CB 0.005 30.275 30.300 -0.050 0.000 0.839 277 R HN 0.365 nan 8.270 nan 0.000 0.429 278 Q N 0.440 120.202 119.800 -0.064 0.000 2.061 278 Q HA -0.153 4.189 4.340 0.004 0.000 0.204 278 Q C 2.124 178.076 176.000 -0.081 0.000 0.984 278 Q CA 1.209 56.970 55.803 -0.069 0.000 0.846 278 Q CB -0.466 28.227 28.738 -0.075 0.000 0.902 278 Q HN 0.294 nan 8.270 nan 0.000 0.421 279 L N -0.347 120.817 121.223 -0.099 0.000 1.976 279 L HA -0.203 4.140 4.340 0.004 0.000 0.209 279 L C 2.569 179.388 176.870 -0.086 0.000 1.071 279 L CA 1.360 56.128 54.840 -0.121 0.000 0.746 279 L CB -1.616 40.358 42.059 -0.142 0.000 0.890 279 L HN 0.306 nan 8.230 nan 0.000 0.432 280 C N -0.080 119.179 119.300 -0.068 0.000 2.403 280 C HA -0.214 4.248 4.460 0.004 0.000 0.282 280 C C 2.800 177.765 174.990 -0.041 0.000 1.297 280 C CA 0.828 59.817 59.018 -0.049 0.000 1.785 280 C CB -0.683 27.033 27.740 -0.040 0.000 1.963 280 C HN 0.440 nan 8.230 nan 0.000 0.507 281 K N 0.161 120.534 120.400 -0.044 0.000 2.097 281 K HA -0.040 4.282 4.320 0.004 0.000 0.205 281 K C 1.729 178.310 176.600 -0.031 0.000 1.050 281 K CA 1.053 57.319 56.287 -0.035 0.000 0.938 281 K CB -0.199 32.280 32.500 -0.036 0.000 0.718 281 K HN 0.499 nan 8.250 nan 0.000 0.442 282 L N 0.915 122.114 121.223 -0.040 0.000 2.187 282 L HA -0.165 4.177 4.340 0.004 0.000 0.213 282 L C 1.977 178.835 176.870 -0.019 0.000 1.100 282 L CA 0.825 55.647 54.840 -0.031 0.000 0.765 282 L CB -0.539 41.494 42.059 -0.043 0.000 0.904 282 L HN 0.238 nan 8.230 nan 0.000 0.437 283 L N 0.508 121.718 121.223 -0.022 0.000 2.552 283 L HA -0.049 4.293 4.340 0.004 0.000 0.227 283 L C 1.403 178.267 176.870 -0.009 0.000 1.146 283 L CA 0.077 54.910 54.840 -0.012 0.000 0.858 283 L CB -0.530 41.520 42.059 -0.015 0.000 0.969 283 L HN 0.379 nan 8.230 nan 0.000 0.451 284 R N 0.169 120.663 120.500 -0.011 0.000 2.694 284 R HA 0.231 4.573 4.340 0.004 0.000 0.268 284 R C 1.138 177.436 176.300 -0.004 0.000 1.061 284 R CA 0.661 56.756 56.100 -0.008 0.000 1.133 284 R CB -0.095 30.200 30.300 -0.009 0.000 1.020 284 R HN 0.120 nan 8.270 nan 0.000 0.475 285 G N 1.139 109.938 108.800 -0.002 0.000 2.219 285 G HA2 -0.370 3.593 3.960 0.004 0.000 0.271 285 G HA3 -0.370 3.593 3.960 0.004 0.000 0.271 285 G C 0.330 175.231 174.900 0.001 0.000 0.991 285 G CA 0.909 46.009 45.100 0.000 0.000 0.685 285 G HN 0.984 nan 8.290 nan 0.000 0.531 286 T N -0.341 114.213 114.554 0.001 0.000 2.540 286 T HA 0.029 4.381 4.350 0.004 0.000 0.212 286 T C 1.279 175.982 174.700 0.005 0.000 1.008 286 T CA 1.588 63.690 62.100 0.004 0.000 1.178 286 T CB 0.261 69.132 68.868 0.004 0.000 1.005 286 T HN 0.548 nan 8.240 nan 0.000 0.432 287 K N 1.791 122.195 120.400 0.007 0.000 2.660 287 K HA 0.789 5.112 4.320 0.004 0.000 0.262 287 K C 0.966 177.570 176.600 0.007 0.000 0.981 287 K CA 0.188 56.479 56.287 0.007 0.000 1.532 287 K CB -0.610 31.895 32.500 0.008 0.000 2.490 287 K HN 0.737 nan 8.250 nan 0.000 0.886 288 A N 0.734 123.558 122.820 0.008 0.000 2.363 288 A HA -0.039 4.283 4.320 0.004 0.000 0.291 288 A C 0.944 178.533 177.584 0.009 0.000 1.210 288 A CA 0.640 52.681 52.037 0.007 0.000 0.892 288 A CB -0.499 18.505 19.000 0.006 0.000 1.121 288 A HN 0.517 nan 8.150 nan 0.000 0.522 289 L N -1.549 119.678 121.223 0.008 0.000 2.537 289 L HA 0.076 4.418 4.340 0.004 0.000 0.224 289 L C 1.827 178.705 176.870 0.013 0.000 1.065 289 L CA 2.467 57.313 54.840 0.010 0.000 0.860 289 L CB -1.101 40.960 42.059 0.004 0.000 1.086 289 L HN 0.873 nan 8.230 nan 0.000 0.482 290 T N -1.740 112.819 114.554 0.009 0.000 3.044 290 T HA 0.052 4.404 4.350 0.004 0.000 0.250 290 T C 0.748 175.455 174.700 0.011 0.000 1.081 290 T CA -0.125 61.979 62.100 0.006 0.000 1.040 290 T CB -0.206 68.661 68.868 -0.002 0.000 0.962 290 T HN 0.421 nan 8.240 nan 0.000 0.506 291 E N 2.650 122.859 120.200 0.014 0.000 2.493 291 E HA 0.204 4.556 4.350 0.004 0.000 0.255 291 E C -0.387 176.231 176.600 0.030 0.000 0.999 291 E CA -0.421 55.990 56.400 0.017 0.000 0.934 291 E CB 0.293 30.002 29.700 0.015 0.000 0.940 291 E HN 0.124 nan 8.360 nan 0.000 0.473 292 V N 5.637 125.568 119.914 0.029 0.000 2.637 292 V HA 0.113 4.235 4.120 0.004 0.000 0.296 292 V C 0.355 176.484 176.094 0.059 0.000 1.046 292 V CA -0.257 62.072 62.300 0.047 0.000 1.066 292 V CB 0.438 32.280 31.823 0.033 0.000 0.968 292 V HN 0.661 nan 8.190 nan 0.000 0.483 293 I N 6.157 126.783 120.570 0.094 0.000 2.411 293 I HA 0.359 4.531 4.170 0.004 0.000 0.284 293 I C -2.495 173.682 176.117 0.100 0.000 1.012 293 I CA -2.386 58.962 61.300 0.079 0.000 1.119 293 I CB 1.779 39.816 38.000 0.063 0.000 1.261 293 I HN 0.412 nan 8.210 nan 0.000 0.448 294 P HA 0.198 nan 4.420 nan 0.000 0.269 294 P C -0.011 177.312 177.300 0.038 0.000 1.263 294 P CA -0.220 62.919 63.100 0.066 0.000 0.813 294 P CB 0.238 31.963 31.700 0.041 0.000 0.868 295 L N 2.090 123.336 121.223 0.038 0.000 2.543 295 L HA 0.043 4.386 4.340 0.004 0.000 0.285 295 L C 1.506 178.361 176.870 -0.024 0.000 1.236 295 L CA 0.545 55.362 54.840 -0.038 0.000 0.871 295 L CB -0.420 41.575 42.059 -0.108 0.000 1.121 295 L HN 0.332 nan 8.230 nan 0.000 0.501 296 T N 0.079 114.608 114.554 -0.042 0.000 2.788 296 T HA 0.046 4.399 4.350 0.004 0.000 0.280 296 T C 1.147 175.826 174.700 -0.035 0.000 0.984 296 T CA -0.359 61.722 62.100 -0.031 0.000 0.972 296 T CB 1.163 70.010 68.868 -0.035 0.000 1.039 296 T HN 0.701 nan 8.240 nan 0.000 0.530 297 E N 0.536 120.719 120.200 -0.027 0.000 2.051 297 E HA -0.140 4.213 4.350 0.004 0.000 0.192 297 E C 1.938 178.516 176.600 -0.038 0.000 0.991 297 E CA 1.635 58.019 56.400 -0.027 0.000 0.799 297 E CB -0.061 29.627 29.700 -0.021 0.000 0.748 297 E HN 0.684 nan 8.360 nan 0.000 0.449 298 E N 0.809 120.984 120.200 -0.041 0.000 2.118 298 E HA -0.155 4.197 4.350 0.004 0.000 0.195 298 E C 1.879 178.441 176.600 -0.064 0.000 0.992 298 E CA 1.204 57.575 56.400 -0.049 0.000 0.804 298 E CB -0.404 29.268 29.700 -0.047 0.000 0.741 298 E HN 0.269 nan 8.360 nan 0.000 0.458 299 A N 1.474 124.249 122.820 -0.074 0.000 1.902 299 A HA -0.222 4.100 4.320 0.004 0.000 0.217 299 A C 1.961 179.472 177.584 -0.122 0.000 1.181 299 A CA 1.530 53.502 52.037 -0.107 0.000 0.623 299 A CB -0.382 18.545 19.000 -0.122 0.000 0.818 299 A HN 0.186 nan 8.150 nan 0.000 0.443 300 E N -0.044 120.099 120.200 -0.094 0.000 2.208 300 E HA -0.100 4.252 4.350 0.004 0.000 0.193 300 E C 1.912 178.474 176.600 -0.063 0.000 0.988 300 E CA 0.964 57.316 56.400 -0.080 0.000 0.828 300 E CB -0.290 29.386 29.700 -0.042 0.000 0.763 300 E HN 0.683 nan 8.360 nan 0.000 0.478 301 L N 0.716 121.904 121.223 -0.057 0.000 2.095 301 L HA -0.096 4.246 4.340 0.004 0.000 0.204 301 L C 2.600 179.436 176.870 -0.057 0.000 1.080 301 L CA 0.997 55.809 54.840 -0.048 0.000 0.759 301 L CB -0.381 41.653 42.059 -0.042 0.000 0.914 301 L HN 0.035 nan 8.230 nan 0.000 0.439 302 E N 0.860 121.017 120.200 -0.071 0.000 2.021 302 E HA -0.280 4.072 4.350 0.004 0.000 0.200 302 E C 2.319 178.869 176.600 -0.083 0.000 1.015 302 E CA 1.556 57.910 56.400 -0.077 0.000 0.824 302 E CB -0.219 29.427 29.700 -0.090 0.000 0.762 302 E HN 0.318 nan 8.360 nan 0.000 0.454 303 L N 0.211 121.367 121.223 -0.112 0.000 2.010 303 L HA -0.341 4.002 4.340 0.004 0.000 0.219 303 L C 2.444 179.273 176.870 -0.069 0.000 1.077 303 L CA 1.705 56.473 54.840 -0.120 0.000 0.773 303 L CB -0.483 41.475 42.059 -0.168 0.000 0.892 303 L HN 0.333 nan 8.230 nan 0.000 0.436 304 A N -0.702 122.086 122.820 -0.053 0.000 1.859 304 A HA -0.325 3.997 4.320 0.004 0.000 0.218 304 A C 2.138 179.707 177.584 -0.026 0.000 1.209 304 A CA 2.205 54.224 52.037 -0.030 0.000 0.639 304 A CB -0.875 18.109 19.000 -0.027 0.000 0.835 304 A HN 0.550 nan 8.150 nan 0.000 0.450 305 E N -0.682 119.499 120.200 -0.032 0.000 2.097 305 E HA -0.221 4.131 4.350 0.004 0.000 0.196 305 E C 1.801 178.387 176.600 -0.023 0.000 1.000 305 E CA 1.320 57.703 56.400 -0.027 0.000 0.804 305 E CB -0.199 29.481 29.700 -0.034 0.000 0.740 305 E HN 0.545 nan 8.360 nan 0.000 0.454 306 N N 0.366 119.045 118.700 -0.035 0.000 2.244 306 N HA -0.088 4.654 4.740 0.004 0.000 0.183 306 N C 1.653 177.144 175.510 -0.032 0.000 1.016 306 N CA 0.700 53.728 53.050 -0.037 0.000 0.866 306 N CB -0.104 38.349 38.487 -0.057 0.000 0.980 306 N HN 0.160 nan 8.380 nan 0.000 0.430 307 R N 0.666 121.151 120.500 -0.026 0.000 2.075 307 R HA -0.014 4.328 4.340 0.004 0.000 0.232 307 R C 1.694 177.993 176.300 -0.002 0.000 1.126 307 R CA 0.681 56.772 56.100 -0.014 0.000 0.963 307 R CB -0.137 30.161 30.300 -0.003 0.000 0.858 307 R HN 0.233 nan 8.270 nan 0.000 0.435 308 E N 1.185 121.386 120.200 0.002 0.000 2.085 308 E HA -0.162 4.190 4.350 0.004 0.000 0.194 308 E C 2.068 178.687 176.600 0.033 0.000 0.994 308 E CA 1.071 57.479 56.400 0.013 0.000 0.801 308 E CB -0.084 29.618 29.700 0.005 0.000 0.743 308 E HN 0.313 nan 8.360 nan 0.000 0.453 309 I N 0.667 121.260 120.570 0.038 0.000 2.151 309 I HA -0.308 3.864 4.170 0.004 0.000 0.243 309 I C 2.414 178.643 176.117 0.187 0.000 1.080 309 I CA 1.201 62.558 61.300 0.095 0.000 1.339 309 I CB -0.634 37.422 38.000 0.094 0.000 1.039 309 I HN 0.098 nan 8.210 nan 0.000 0.409 310 L N 0.193 121.460 121.223 0.074 0.000 2.341 310 L HA -0.015 4.327 4.340 0.004 0.000 0.214 310 L C 0.920 177.844 176.870 0.091 0.000 1.115 310 L CA 0.386 55.233 54.840 0.012 0.000 0.820 310 L CB -0.480 41.445 42.059 -0.225 0.000 0.944 310 L HN 0.016 nan 8.230 nan 0.000 0.452 311 K N 2.505 122.944 120.400 0.065 0.000 2.250 311 K HA 0.017 4.339 4.320 0.004 0.000 0.277 311 K C 0.027 176.673 176.600 0.076 0.000 1.091 311 K CA 0.387 56.706 56.287 0.054 0.000 1.046 311 K CB -0.112 32.408 32.500 0.034 0.000 0.982 311 K HN 0.154 nan 8.250 nan 0.000 0.429 312 E N 1.703 121.955 120.200 0.088 0.000 6.196 312 E HA -0.059 4.293 4.350 0.004 0.000 0.553 312 E C -3.219 173.459 176.600 0.130 0.000 1.416 312 E CA -0.744 55.702 56.400 0.078 0.000 3.029 312 E CB -1.101 28.626 29.700 0.045 0.000 0.792 312 E HN 0.326 nan 8.360 nan 0.000 0.262 313 P HA 0.541 nan 4.420 nan 0.000 0.337 313 P C -1.098 176.153 177.300 -0.081 0.000 1.467 313 P CA -0.564 62.587 63.100 0.086 0.000 1.313 313 P CB 1.997 33.772 31.700 0.126 0.000 2.043 314 V N 1.891 121.584 119.914 -0.369 0.000 2.644 314 V HA 0.581 4.703 4.120 0.004 0.000 0.295 314 V C 0.129 176.061 176.094 -0.270 0.000 1.053 314 V CA -0.278 61.747 62.300 -0.459 0.000 0.987 314 V CB 0.838 32.079 31.823 -0.970 0.000 1.006 314 V HN 0.741 nan 8.190 nan 0.000 0.472 315 H N 1.503 120.339 119.070 -0.390 0.000 2.895 315 H HA 0.792 5.350 4.556 0.002 0.000 0.373 315 H C -0.318 174.664 175.328 -0.577 0.000 1.174 315 H CA -0.782 55.012 56.048 -0.423 0.000 1.144 315 H CB 2.023 31.636 29.762 -0.248 0.000 1.793 315 H HN 0.812 nan 8.280 nan 0.000 0.551 316 G N 0.495 108.613 108.800 -1.137 0.000 2.441 316 G HA2 0.503 4.465 3.960 0.004 0.000 0.334 316 G HA3 0.503 4.465 3.960 0.004 0.000 0.334 316 G C -0.300 174.156 174.900 -0.741 0.000 1.161 316 G CA -0.247 44.206 45.100 -1.079 0.000 0.935 316 G HN 0.722 nan 8.290 nan 0.000 0.488 317 V N -0.089 119.667 119.914 -0.263 0.000 3.211 317 V HA 0.776 4.898 4.120 0.004 0.000 0.319 317 V C -0.538 175.614 176.094 0.096 0.000 1.096 317 V CA -1.040 61.184 62.300 -0.127 0.000 1.029 317 V CB 1.184 32.988 31.823 -0.032 0.000 1.137 317 V HN 0.587 nan 8.190 nan 0.000 0.453 318 Y N 0.555 121.065 120.300 0.350 0.000 2.436 318 Y HA 0.522 5.072 4.550 -0.000 0.000 0.336 318 Y C -0.146 175.969 175.900 0.358 0.000 1.318 318 Y CA -0.340 57.970 58.100 0.351 0.000 1.493 318 Y CB 0.305 38.925 38.460 0.266 0.000 1.547 318 Y HN 0.734 nan 8.280 nan 0.000 0.549 319 Y N 1.148 121.693 120.300 0.410 0.000 2.334 319 Y HA 0.336 4.890 4.550 0.006 0.000 0.328 319 Y C -0.711 175.304 175.900 0.190 0.000 1.130 319 Y CA -1.594 56.684 58.100 0.297 0.000 1.163 319 Y CB 1.007 39.724 38.460 0.429 0.000 1.207 319 Y HN 0.527 nan 8.280 nan 0.000 0.471 320 D N 8.033 128.183 120.400 -0.416 0.000 2.404 320 D HA 0.291 4.934 4.640 0.004 0.000 0.267 320 D C -2.255 173.561 176.300 -0.808 0.000 1.194 320 D CA -2.290 51.434 54.000 -0.461 0.000 0.910 320 D CB 1.464 42.175 40.800 -0.147 0.000 1.090 320 D HN 0.341 nan 8.370 nan 0.000 0.511 321 P HA -0.099 nan 4.420 nan 0.000 0.234 321 P C 0.782 177.934 177.300 -0.247 0.000 1.162 321 P CA 0.596 63.285 63.100 -0.684 0.000 0.759 321 P CB -0.050 31.457 31.700 -0.321 0.000 0.813 322 S N -2.123 113.444 115.700 -0.222 0.000 2.583 322 S HA 0.260 4.732 4.470 0.004 0.000 0.239 322 S C 0.401 174.952 174.600 -0.082 0.000 0.966 322 S CA -0.407 57.727 58.200 -0.109 0.000 0.973 322 S CB -0.353 62.793 63.200 -0.089 0.000 0.794 322 S HN 0.024 nan 8.310 nan 0.000 0.463 323 K N 0.299 120.646 120.400 -0.088 0.000 2.556 323 K HA 0.398 4.721 4.320 0.004 0.000 0.274 323 K C -1.750 174.831 176.600 -0.030 0.000 0.966 323 K CA -0.846 55.410 56.287 -0.050 0.000 0.865 323 K CB 1.263 33.736 32.500 -0.046 0.000 1.444 323 K HN 0.031 nan 8.250 nan 0.000 0.433 324 D N 1.093 121.470 120.400 -0.039 0.000 2.358 324 D HA 0.273 4.915 4.640 0.004 0.000 0.244 324 D C -0.422 175.806 176.300 -0.121 0.000 1.163 324 D CA -0.078 53.883 54.000 -0.065 0.000 0.945 324 D CB 0.797 41.558 40.800 -0.065 0.000 1.152 324 D HN 0.208 nan 8.370 nan 0.000 0.451 325 L N 2.037 123.132 121.223 -0.213 0.000 2.282 325 L HA 0.309 4.651 4.340 0.004 0.000 0.288 325 L C -0.605 176.029 176.870 -0.394 0.000 1.033 325 L CA -0.734 53.882 54.840 -0.373 0.000 0.807 325 L CB 1.006 42.721 42.059 -0.573 0.000 1.209 325 L HN 0.108 nan 8.230 nan 0.000 0.423 326 I N 3.350 123.641 120.570 -0.466 0.000 2.404 326 I HA 0.539 4.711 4.170 0.004 0.000 0.293 326 I C 0.219 175.902 176.117 -0.723 0.000 0.992 326 I CA -0.732 60.222 61.300 -0.577 0.000 1.149 326 I CB 1.541 39.188 38.000 -0.588 0.000 1.315 326 I HN 0.525 nan 8.210 nan 0.000 0.446 327 A N 6.232 128.674 122.820 -0.630 0.000 2.330 327 A HA 0.749 5.071 4.320 0.004 0.000 0.313 327 A C -0.474 176.959 177.584 -0.252 0.000 1.124 327 A CA -0.585 51.152 52.037 -0.500 0.000 0.774 327 A CB 1.041 19.617 19.000 -0.707 0.000 1.198 327 A HN 0.718 nan 8.150 nan 0.000 0.465 328 E N 2.059 122.209 120.200 -0.084 0.000 2.199 328 E HA 0.562 4.914 4.350 0.004 0.000 0.265 328 E C -1.113 175.569 176.600 0.136 0.000 0.882 328 E CA -0.351 56.077 56.400 0.047 0.000 0.759 328 E CB 2.185 31.923 29.700 0.063 0.000 1.148 328 E HN 0.649 nan 8.360 nan 0.000 0.412 329 I N 1.989 122.647 120.570 0.146 0.000 2.750 329 I HA 0.330 4.502 4.170 0.004 0.000 0.308 329 I C -0.496 175.733 176.117 0.187 0.000 1.016 329 I CA -0.824 60.595 61.300 0.199 0.000 1.098 329 I CB 1.647 39.728 38.000 0.134 0.000 1.279 329 I HN 0.378 nan 8.210 nan 0.000 0.454 330 Q N 2.583 122.530 119.800 0.244 0.000 2.377 330 Q HA 0.351 4.693 4.340 0.004 0.000 0.279 330 Q C -1.082 175.016 176.000 0.165 0.000 1.049 330 Q CA -0.922 54.984 55.803 0.171 0.000 0.825 330 Q CB 2.283 31.054 28.738 0.055 0.000 1.401 330 Q HN 0.322 nan 8.270 nan 0.000 0.404 331 K N 1.640 122.002 120.400 -0.063 0.000 2.338 331 K HA 0.079 4.402 4.320 0.004 0.000 0.290 331 K C 0.266 176.630 176.600 -0.393 0.000 1.069 331 K CA 0.331 56.239 56.287 -0.631 0.000 0.941 331 K CB 0.518 32.624 32.500 -0.657 0.000 1.023 331 K HN 0.642 nan 8.250 nan 0.000 0.477 332 Q N 2.147 121.710 119.800 -0.396 0.000 2.212 332 Q HA 0.063 4.405 4.340 0.004 0.000 0.199 332 Q C 0.571 176.430 176.000 -0.235 0.000 0.950 332 Q CA 0.900 56.565 55.803 -0.230 0.000 0.863 332 Q CB 0.494 29.144 28.738 -0.147 0.000 0.944 332 Q HN 0.969 nan 8.270 nan 0.000 0.465 333 G N -0.704 107.902 108.800 -0.324 0.000 2.513 333 G HA2 -0.121 3.841 3.960 0.004 0.000 0.182 333 G HA3 -0.121 3.841 3.960 0.004 0.000 0.182 333 G C -1.319 173.442 174.900 -0.232 0.000 1.190 333 G CA -0.921 44.038 45.100 -0.234 0.000 0.987 333 G HN 0.003 nan 8.290 nan 0.000 0.479 334 Q N 1.350 121.061 119.800 -0.148 0.000 2.243 334 Q HA 0.224 4.567 4.340 0.004 0.000 0.148 334 Q C 1.465 177.415 176.000 -0.085 0.000 1.051 334 Q CA 1.372 57.111 55.803 -0.106 0.000 0.956 334 Q CB -1.061 27.631 28.738 -0.077 0.000 1.589 334 Q HN 1.989 nan 8.270 nan 0.000 0.424 335 G N 1.510 110.250 108.800 -0.100 0.000 2.143 335 G HA2 -0.289 3.674 3.960 0.004 0.000 0.248 335 G HA3 -0.289 3.674 3.960 0.004 0.000 0.248 335 G C -0.146 174.769 174.900 0.025 0.000 0.991 335 G CA 0.454 45.565 45.100 0.019 0.000 0.689 335 G HN 0.575 nan 8.290 nan 0.000 0.522 336 Q N -1.389 118.287 119.800 -0.207 0.000 2.306 336 Q HA 0.769 5.111 4.340 0.004 0.000 0.265 336 Q C -0.730 175.000 176.000 -0.450 0.000 1.022 336 Q CA -1.160 54.566 55.803 -0.129 0.000 0.853 336 Q CB 1.652 30.341 28.738 -0.082 0.000 1.327 336 Q HN 0.331 nan 8.270 nan 0.000 0.449 337 W N 0.188 121.558 121.300 0.118 0.000 2.975 337 W HA 0.703 5.364 4.660 0.003 0.000 0.342 337 W C -0.572 176.020 176.519 0.121 0.000 1.168 337 W CA -0.705 56.715 57.345 0.125 0.000 1.141 337 W CB 2.344 31.911 29.460 0.179 0.000 1.445 337 W HN 0.637 nan 8.180 nan 0.000 0.560 338 T N 1.032 115.786 114.554 0.334 0.000 2.982 338 T HA 0.630 4.982 4.350 0.004 0.000 0.321 338 T C -1.696 173.117 174.700 0.188 0.000 1.229 338 T CA -0.488 61.705 62.100 0.155 0.000 1.044 338 T CB 0.587 69.465 68.868 0.017 0.000 1.184 338 T HN 0.453 nan 8.240 nan 0.000 0.477 339 Y N 1.450 121.813 120.300 0.104 0.000 2.677 339 Y HA 0.889 5.441 4.550 0.003 0.000 0.334 339 Y C -1.447 174.480 175.900 0.045 0.000 1.154 339 Y CA -1.281 56.863 58.100 0.072 0.000 1.070 339 Y CB 1.335 39.844 38.460 0.083 0.000 1.294 339 Y HN 0.599 nan 8.280 nan 0.000 0.475 340 Q N 1.110 121.029 119.800 0.197 0.000 2.386 340 Q HA 0.565 4.907 4.340 0.004 0.000 0.274 340 Q C -2.033 174.038 176.000 0.119 0.000 1.011 340 Q CA -0.500 55.367 55.803 0.107 0.000 0.867 340 Q CB 2.986 31.752 28.738 0.046 0.000 1.409 340 Q HN 0.690 nan 8.270 nan 0.000 0.395 341 I N 2.778 123.415 120.570 0.112 0.000 2.377 341 I HA 0.609 4.781 4.170 0.004 0.000 0.293 341 I C -1.086 175.037 176.117 0.011 0.000 0.987 341 I CA -0.663 60.602 61.300 -0.059 0.000 1.185 341 I CB 0.817 38.794 38.000 -0.038 0.000 1.341 341 I HN 0.591 nan 8.210 nan 0.000 0.455 342 Y N 2.556 122.824 120.300 -0.053 0.000 2.571 342 Y HA 0.559 5.112 4.550 0.004 0.000 0.341 342 Y C 0.006 175.865 175.900 -0.069 0.000 1.076 342 Y CA -1.140 56.944 58.100 -0.026 0.000 1.029 342 Y CB 1.170 39.653 38.460 0.038 0.000 1.308 342 Y HN 0.539 nan 8.280 nan 0.000 0.461 343 Q N 0.587 120.526 119.800 0.233 0.000 2.396 343 Q HA 0.122 4.464 4.340 0.004 0.000 0.220 343 Q C -0.563 175.553 176.000 0.194 0.000 0.900 343 Q CA 0.574 56.447 55.803 0.118 0.000 0.925 343 Q CB 0.776 29.547 28.738 0.055 0.000 1.065 343 Q HN 0.797 nan 8.270 nan 0.000 0.535 344 E N 0.596 120.913 120.200 0.195 0.000 2.241 344 E HA 0.281 4.633 4.350 0.004 0.000 0.263 344 E C -2.585 173.896 176.600 -0.198 0.000 0.882 344 E CA -2.397 54.021 56.400 0.029 0.000 0.769 344 E CB 1.549 31.236 29.700 -0.022 0.000 1.185 344 E HN -0.241 nan 8.360 nan 0.000 0.415 345 P HA -0.178 nan 4.420 nan 0.000 0.207 345 P C -0.853 176.014 177.300 -0.721 0.000 0.945 345 P CA 1.026 63.563 63.100 -0.939 0.000 1.033 345 P CB -0.376 30.798 31.700 -0.876 0.000 1.023 346 F N -0.179 119.209 119.950 -0.936 0.000 2.078 346 F HA -0.177 4.352 4.527 0.004 0.000 0.387 346 F C 0.767 176.394 175.800 -0.288 0.000 0.557 346 F CA 0.092 57.784 58.000 -0.513 0.000 1.954 346 F CB -1.948 36.854 39.000 -0.331 0.000 2.632 346 F HN 0.275 nan 8.300 nan 0.000 0.254 347 K N 2.059 122.413 120.400 -0.076 0.000 2.265 347 K HA 0.223 4.546 4.320 0.004 0.000 0.242 347 K C 0.360 176.970 176.600 0.016 0.000 1.137 347 K CA -0.414 55.842 56.287 -0.051 0.000 1.082 347 K CB 0.160 32.631 32.500 -0.049 0.000 1.731 347 K HN -0.023 nan 8.250 nan 0.000 0.392 348 N N 1.908 120.614 118.700 0.010 0.000 2.412 348 N HA -0.078 4.664 4.740 0.004 0.000 0.254 348 N C 0.973 176.520 175.510 0.061 0.000 1.232 348 N CA 0.066 53.164 53.050 0.080 0.000 0.880 348 N CB 0.678 39.157 38.487 -0.014 0.000 1.076 348 N HN 0.256 nan 8.380 nan 0.000 0.458 349 L N 1.771 123.099 121.223 0.174 0.000 2.084 349 L HA 0.149 4.491 4.340 0.004 0.000 0.202 349 L C 1.012 178.141 176.870 0.432 0.000 1.074 349 L CA 1.558 56.585 54.840 0.311 0.000 0.757 349 L CB -0.346 41.909 42.059 0.326 0.000 0.918 349 L HN 0.669 nan 8.230 nan 0.000 0.444 350 K N -1.576 119.017 120.400 0.322 0.000 2.575 350 K HA 0.404 4.727 4.320 0.004 0.000 0.279 350 K C -1.047 175.640 176.600 0.146 0.000 0.969 350 K CA -0.297 56.176 56.287 0.309 0.000 0.868 350 K CB 1.859 34.561 32.500 0.338 0.000 1.457 350 K HN -0.006 nan 8.250 nan 0.000 0.426 351 T N -1.411 113.168 114.554 0.041 0.000 2.883 351 T HA 0.907 5.259 4.350 0.004 0.000 0.284 351 T C 0.006 174.508 174.700 -0.331 0.000 1.041 351 T CA -0.192 61.813 62.100 -0.158 0.000 1.007 351 T CB 1.800 70.579 68.868 -0.150 0.000 1.220 351 T HN 0.958 nan 8.240 nan 0.000 0.552 352 G N 0.280 108.607 108.800 -0.789 0.000 2.368 352 G HA2 0.543 4.505 3.960 0.004 0.000 0.293 352 G HA3 0.543 4.505 3.960 0.004 0.000 0.293 352 G C -1.915 172.557 174.900 -0.715 0.000 1.467 352 G CA -0.875 43.821 45.100 -0.674 0.000 0.804 352 G HN 0.932 nan 8.290 nan 0.000 0.535 353 K N -1.014 119.319 120.400 -0.111 0.000 2.395 353 K HA 0.777 5.099 4.320 0.004 0.000 0.247 353 K C -2.087 174.706 176.600 0.322 0.000 0.973 353 K CA -1.123 55.224 56.287 0.101 0.000 0.828 353 K CB 2.973 35.501 32.500 0.045 0.000 1.272 353 K HN 0.729 nan 8.250 nan 0.000 0.439 354 Y N 0.134 120.595 120.300 0.269 0.000 2.421 354 Y HA 0.520 5.072 4.550 0.003 0.000 0.339 354 Y C -0.693 175.373 175.900 0.277 0.000 0.996 354 Y CA -0.214 58.034 58.100 0.246 0.000 1.046 354 Y CB 2.221 40.803 38.460 0.204 0.000 1.226 354 Y HN 0.838 nan 8.280 nan 0.000 0.445 355 A N 4.845 127.415 122.820 -0.417 0.000 1.971 355 A HA 0.333 4.655 4.320 0.004 0.000 0.200 355 A C 0.478 177.910 177.584 -0.254 0.000 1.658 355 A CA -0.201 51.755 52.037 -0.136 0.000 0.962 355 A CB -0.068 18.875 19.000 -0.096 0.000 1.053 355 A HN 0.707 nan 8.150 nan 0.000 0.533 356 R N -0.936 119.250 120.500 -0.523 0.000 3.588 356 R HA -0.195 4.147 4.340 0.004 0.000 0.118 356 R C -0.378 175.923 176.300 0.002 0.000 0.730 356 R CA 0.970 56.913 56.100 -0.260 0.000 0.747 356 R CB -0.108 30.024 30.300 -0.280 0.000 1.144 356 R HN 0.472 nan 8.270 nan 0.000 0.246 357 M N 5.579 125.185 119.600 0.011 0.000 3.428 357 M HA 0.137 4.619 4.480 0.004 0.000 0.229 357 M C -0.192 176.136 176.300 0.046 0.000 1.299 357 M CA -0.127 55.200 55.300 0.044 0.000 1.405 357 M CB -0.057 32.554 32.600 0.018 0.000 1.119 357 M HN 0.308 nan 8.290 nan 0.000 0.613 358 R N 2.221 122.771 120.500 0.082 0.000 2.387 358 R HA 0.492 4.835 4.340 0.004 0.000 0.321 358 R C 0.150 176.489 176.300 0.066 0.000 1.174 358 R CA 1.008 57.155 56.100 0.079 0.000 1.002 358 R CB -0.513 29.853 30.300 0.110 0.000 1.028 358 R HN 0.956 nan 8.270 nan 0.000 0.482 359 G N 1.112 109.933 108.800 0.036 0.000 2.434 359 G HA2 -0.095 3.867 3.960 0.004 0.000 0.671 359 G HA3 -0.095 3.867 3.960 0.004 0.000 0.671 359 G C -0.106 174.744 174.900 -0.083 0.000 1.280 359 G CA -0.346 44.754 45.100 0.000 0.000 0.975 359 G HN 0.516 nan 8.290 nan 0.000 0.510 360 A N -0.965 121.702 122.820 -0.256 0.000 1.901 360 A HA 0.497 4.820 4.320 0.004 0.000 0.210 360 A C 0.906 178.262 177.584 -0.380 0.000 1.208 360 A CA 1.737 53.532 52.037 -0.403 0.000 0.644 360 A CB -0.157 18.433 19.000 -0.683 0.000 0.863 360 A HN 1.234 nan 8.150 nan 0.000 0.454 361 H N -1.143 117.972 119.070 0.075 0.000 2.538 361 H HA 0.631 5.190 4.556 0.004 0.000 0.353 361 H C -0.666 174.711 175.328 0.081 0.000 1.109 361 H CA 0.122 56.210 56.048 0.067 0.000 1.192 361 H CB 1.408 31.205 29.762 0.059 0.000 1.555 361 H HN 0.194 nan 8.280 nan 0.000 0.518 362 T N 1.456 116.108 114.554 0.163 0.000 2.618 362 T HA 0.399 4.752 4.350 0.004 0.000 0.293 362 T C -1.319 173.418 174.700 0.062 0.000 1.093 362 T CA -0.764 61.401 62.100 0.109 0.000 1.061 362 T CB 1.759 70.676 68.868 0.081 0.000 1.498 362 T HN 0.936 nan 8.240 nan 0.000 0.494 363 N N -0.460 118.231 118.700 -0.015 0.000 2.825 363 N HA 0.398 5.140 4.740 0.004 0.000 0.253 363 N C -0.265 175.205 175.510 -0.066 0.000 1.426 363 N CA -0.573 52.442 53.050 -0.057 0.000 0.851 363 N CB 0.415 38.808 38.487 -0.156 0.000 1.470 363 N HN 0.346 nan 8.380 nan 0.000 0.517 364 D N -0.223 120.189 120.400 0.020 0.000 2.158 364 D HA -0.114 4.528 4.640 0.004 0.000 0.197 364 D C 1.584 177.821 176.300 -0.104 0.000 0.995 364 D CA 1.238 55.322 54.000 0.139 0.000 0.846 364 D CB -0.133 40.808 40.800 0.235 0.000 0.941 364 D HN 0.379 nan 8.370 nan 0.000 0.456 365 V N 0.711 120.426 119.914 -0.332 0.000 2.515 365 V HA -0.206 3.917 4.120 0.004 0.000 0.250 365 V C 2.243 178.045 176.094 -0.487 0.000 1.058 365 V CA 1.463 63.457 62.300 -0.510 0.000 1.064 365 V CB -0.267 30.983 31.823 -0.956 0.000 0.675 365 V HN 0.215 nan 8.190 nan 0.000 0.461 366 K N -0.403 119.707 120.400 -0.483 0.000 2.044 366 K HA -0.106 4.216 4.320 0.004 0.000 0.204 366 K C 2.287 178.716 176.600 -0.284 0.000 1.049 366 K CA 1.098 57.217 56.287 -0.279 0.000 0.945 366 K CB -0.219 32.180 32.500 -0.167 0.000 0.724 366 K HN 0.486 nan 8.250 nan 0.000 0.440 367 Q N 1.038 120.677 119.800 -0.267 0.000 2.077 367 Q HA -0.168 4.174 4.340 0.004 0.000 0.206 367 Q C 2.249 177.691 176.000 -0.931 0.000 0.989 367 Q CA 1.159 56.732 55.803 -0.384 0.000 0.853 367 Q CB -0.227 28.497 28.738 -0.023 0.000 0.907 367 Q HN 0.320 nan 8.270 nan 0.000 0.418 368 L N 0.812 121.425 121.223 -1.017 0.000 2.013 368 L HA -0.217 4.125 4.340 0.004 0.000 0.212 368 L C 2.700 179.022 176.870 -0.914 0.000 1.073 368 L CA 2.228 56.375 54.840 -1.156 0.000 0.753 368 L CB -0.791 40.791 42.059 -0.794 0.000 0.890 368 L HN 0.434 nan 8.230 nan 0.000 0.432 369 T N -3.033 111.110 114.554 -0.684 0.000 2.951 369 T HA -0.151 4.201 4.350 0.004 0.000 0.268 369 T C 1.522 175.910 174.700 -0.519 0.000 1.073 369 T CA 1.090 62.842 62.100 -0.580 0.000 1.134 369 T CB -0.157 68.515 68.868 -0.328 0.000 0.884 369 T HN 0.463 nan 8.240 nan 0.000 0.479 370 E N 1.296 121.172 120.200 -0.540 0.000 2.047 370 E HA -0.005 4.347 4.350 0.004 0.000 0.191 370 E C 2.717 178.815 176.600 -0.837 0.000 0.987 370 E CA 1.064 57.160 56.400 -0.506 0.000 0.799 370 E CB -0.411 29.071 29.700 -0.363 0.000 0.752 370 E HN 0.688 nan 8.360 nan 0.000 0.449 371 A N 1.499 123.563 122.820 -1.259 0.000 1.851 371 A HA -0.185 4.137 4.320 0.004 0.000 0.216 371 A C 2.611 179.789 177.584 -0.678 0.000 1.195 371 A CA 1.605 52.966 52.037 -1.128 0.000 0.622 371 A CB -1.050 17.343 19.000 -1.011 0.000 0.831 371 A HN 0.119 nan 8.150 nan 0.000 0.444 372 V N -0.298 119.171 119.914 -0.741 0.000 2.277 372 V HA -0.368 3.754 4.120 0.004 0.000 0.253 372 V C 2.812 178.607 176.094 -0.499 0.000 1.067 372 V CA 2.616 64.426 62.300 -0.817 0.000 1.047 372 V CB -0.858 30.277 31.823 -1.146 0.000 0.649 372 V HN 0.623 nan 8.190 nan 0.000 0.447 373 Q N -0.438 119.129 119.800 -0.388 0.000 2.050 373 Q HA -0.145 4.197 4.340 0.004 0.000 0.202 373 Q C 2.330 178.252 176.000 -0.130 0.000 0.980 373 Q CA 1.513 57.197 55.803 -0.198 0.000 0.840 373 Q CB -0.460 28.200 28.738 -0.131 0.000 0.898 373 Q HN 0.406 nan 8.270 nan 0.000 0.424 374 K N 0.457 120.760 120.400 -0.161 0.000 1.991 374 K HA -0.136 4.186 4.320 0.004 0.000 0.212 374 K C 1.921 178.467 176.600 -0.091 0.000 1.049 374 K CA 1.316 57.564 56.287 -0.065 0.000 0.932 374 K CB -0.525 31.995 32.500 0.033 0.000 0.717 374 K HN 0.252 nan 8.250 nan 0.000 0.441 375 I N 1.057 121.510 120.570 -0.195 0.000 2.145 375 I HA -0.313 3.859 4.170 0.004 0.000 0.244 375 I C 2.244 178.348 176.117 -0.021 0.000 1.075 375 I CA 1.752 62.919 61.300 -0.223 0.000 1.332 375 I CB -1.474 36.413 38.000 -0.188 0.000 1.033 375 I HN 0.229 nan 8.210 nan 0.000 0.410 376 T N 0.832 115.431 114.554 0.074 0.000 2.635 376 T HA -0.197 4.155 4.350 0.004 0.000 0.267 376 T C 1.907 176.643 174.700 0.060 0.000 1.040 376 T CA 2.435 64.604 62.100 0.115 0.000 1.156 376 T CB -0.561 68.369 68.868 0.103 0.000 0.863 376 T HN 0.424 nan 8.240 nan 0.000 0.430 377 T N 1.580 116.150 114.554 0.027 0.000 2.652 377 T HA -0.179 4.173 4.350 0.004 0.000 0.267 377 T C 1.867 176.568 174.700 0.002 0.000 1.039 377 T CA 1.735 63.847 62.100 0.020 0.000 1.153 377 T CB -0.485 68.392 68.868 0.014 0.000 0.863 377 T HN 0.608 nan 8.240 nan 0.000 0.428 378 E N 1.085 121.278 120.200 -0.012 0.000 2.086 378 E HA -0.250 4.102 4.350 0.004 0.000 0.205 378 E C 2.215 178.771 176.600 -0.073 0.000 1.027 378 E CA 2.004 58.374 56.400 -0.050 0.000 0.830 378 E CB -0.190 29.489 29.700 -0.035 0.000 0.751 378 E HN 0.583 nan 8.360 nan 0.000 0.456 379 S N 0.547 116.289 115.700 0.069 0.000 2.356 379 S HA -0.168 4.304 4.470 0.004 0.000 0.223 379 S C 1.984 176.664 174.600 0.132 0.000 1.032 379 S CA 1.208 59.564 58.200 0.260 0.000 1.005 379 S CB -0.333 63.055 63.200 0.313 0.000 0.867 379 S HN 0.239 nan 8.310 nan 0.000 0.449 380 I N 1.935 122.549 120.570 0.074 0.000 2.194 380 I HA -0.124 4.049 4.170 0.004 0.000 0.246 380 I C 2.416 178.526 176.117 -0.013 0.000 1.093 380 I CA 0.563 61.892 61.300 0.049 0.000 1.355 380 I CB -1.696 36.328 38.000 0.041 0.000 1.046 380 I HN 0.150 nan 8.210 nan 0.000 0.413 381 V N 0.952 120.828 119.914 -0.063 0.000 2.270 381 V HA -0.220 3.902 4.120 0.004 0.000 0.245 381 V C 2.446 178.402 176.094 -0.230 0.000 1.043 381 V CA 1.637 63.870 62.300 -0.112 0.000 1.014 381 V CB -0.254 31.508 31.823 -0.102 0.000 0.645 381 V HN 0.276 nan 8.190 nan 0.000 0.447 382 I N -1.757 118.554 120.570 -0.430 0.000 2.406 382 I HA -0.158 4.014 4.170 0.004 0.000 0.249 382 I C 1.971 177.565 176.117 -0.872 0.000 1.122 382 I CA 1.520 62.323 61.300 -0.829 0.000 1.431 382 I CB -0.279 36.816 38.000 -1.508 0.000 1.087 382 I HN 0.447 nan 8.210 nan 0.000 0.424 383 W N 0.224 121.403 121.300 -0.202 0.000 2.725 383 W HA 0.343 5.004 4.660 0.002 0.000 0.336 383 W C 1.388 177.848 176.519 -0.099 0.000 1.012 383 W CA 0.524 57.710 57.345 -0.265 0.000 1.566 383 W CB -0.088 29.091 29.460 -0.468 0.000 1.068 383 W HN 0.285 nan 8.180 nan 0.000 0.546 384 G N 2.850 111.713 108.800 0.104 0.000 2.179 384 G HA2 -0.324 3.638 3.960 0.004 0.000 0.257 384 G HA3 -0.324 3.638 3.960 0.004 0.000 0.257 384 G C 0.101 175.070 174.900 0.114 0.000 1.010 384 G CA 1.177 46.331 45.100 0.090 0.000 0.736 384 G HN 0.379 nan 8.290 nan 0.000 0.513 385 K N -1.298 119.186 120.400 0.141 0.000 2.546 385 K HA 0.692 5.015 4.320 0.004 0.000 0.264 385 K C -0.153 176.500 176.600 0.087 0.000 0.937 385 K CA -0.316 56.035 56.287 0.106 0.000 0.833 385 K CB 1.196 33.757 32.500 0.101 0.000 1.378 385 K HN 0.510 nan 8.250 nan 0.000 0.432 386 T N -0.175 114.411 114.554 0.054 0.000 2.918 386 T HA 0.613 4.965 4.350 0.004 0.000 0.283 386 T C -2.111 172.537 174.700 -0.087 0.000 1.001 386 T CA -1.374 60.742 62.100 0.027 0.000 1.041 386 T CB 1.049 69.970 68.868 0.089 0.000 1.028 386 T HN 0.546 nan 8.240 nan 0.000 0.511 387 P HA 0.463 nan 4.420 nan 0.000 0.287 387 P C -1.139 175.917 177.300 -0.407 0.000 1.296 387 P CA -0.988 61.858 63.100 -0.423 0.000 0.811 387 P CB 0.853 32.130 31.700 -0.704 0.000 1.211 388 K N 0.247 120.424 120.400 -0.372 0.000 2.183 388 K HA 0.448 4.770 4.320 0.004 0.000 0.274 388 K C -0.557 175.849 176.600 -0.323 0.000 1.009 388 K CA -0.311 55.854 56.287 -0.202 0.000 0.888 388 K CB 0.526 32.952 32.500 -0.123 0.000 1.078 388 K HN 0.316 nan 8.250 nan 0.000 0.459 389 F N 1.980 121.893 119.950 -0.062 0.000 2.399 389 F HA 0.277 4.807 4.527 0.005 0.000 0.334 389 F C 0.725 176.533 175.800 0.013 0.000 1.097 389 F CA -0.562 57.395 58.000 -0.072 0.000 1.076 389 F CB 1.151 40.068 39.000 -0.138 0.000 1.162 389 F HN 0.070 nan 8.300 nan 0.000 0.495 390 K N 5.543 126.035 120.400 0.152 0.000 2.404 390 K HA 0.469 4.791 4.320 0.004 0.000 0.257 390 K C -1.233 175.445 176.600 0.131 0.000 1.026 390 K CA -0.309 56.061 56.287 0.138 0.000 0.951 390 K CB 1.461 34.008 32.500 0.080 0.000 1.203 390 K HN 0.551 nan 8.250 nan 0.000 0.446 391 L N 3.813 125.140 121.223 0.173 0.000 2.329 391 L HA 0.411 4.753 4.340 0.004 0.000 0.279 391 L C -1.701 175.248 176.870 0.132 0.000 1.014 391 L CA -2.225 52.645 54.840 0.049 0.000 0.814 391 L CB 1.597 43.490 42.059 -0.276 0.000 1.257 391 L HN 0.259 nan 8.230 nan 0.000 0.424 392 P HA 0.063 nan 4.420 nan 0.000 0.277 392 P C -0.421 177.063 177.300 0.307 0.000 1.617 392 P CA 0.777 63.975 63.100 0.163 0.000 0.829 392 P CB 0.155 31.944 31.700 0.147 0.000 1.774 393 I N -0.922 119.909 120.570 0.435 0.000 2.894 393 I HA 0.276 4.448 4.170 0.004 0.000 0.302 393 I C -0.886 175.533 176.117 0.503 0.000 1.188 393 I CA -1.062 60.451 61.300 0.355 0.000 1.014 393 I CB 2.946 40.992 38.000 0.077 0.000 1.242 393 I HN -0.269 nan 8.210 nan 0.000 0.430 394 Q N 3.801 123.670 119.800 0.116 0.000 2.293 394 Q HA 0.132 4.474 4.340 0.004 0.000 0.251 394 Q C 0.245 176.396 176.000 0.250 0.000 0.930 394 Q CA -0.135 55.592 55.803 -0.127 0.000 0.893 394 Q CB 1.660 30.238 28.738 -0.266 0.000 1.215 394 Q HN 0.462 nan 8.270 nan 0.000 0.425 395 K N 2.063 122.558 120.400 0.158 0.000 2.148 395 K HA -0.175 4.147 4.320 0.004 0.000 0.204 395 K C 1.537 178.288 176.600 0.253 0.000 1.050 395 K CA 1.446 57.859 56.287 0.209 0.000 0.942 395 K CB 0.152 32.581 32.500 -0.118 0.000 0.724 395 K HN 0.650 nan 8.250 nan 0.000 0.446 396 E N -1.143 119.125 120.200 0.114 0.000 2.152 396 E HA -0.111 4.241 4.350 0.004 0.000 0.192 396 E C 1.227 177.901 176.600 0.123 0.000 0.983 396 E CA 1.471 57.927 56.400 0.093 0.000 0.818 396 E CB 0.076 29.782 29.700 0.010 0.000 0.758 396 E HN 0.234 nan 8.360 nan 0.000 0.467 397 T N 0.520 115.156 114.554 0.137 0.000 2.770 397 T HA -0.147 4.205 4.350 0.004 0.000 0.263 397 T C 1.182 176.029 174.700 0.244 0.000 1.039 397 T CA 1.019 63.195 62.100 0.127 0.000 1.142 397 T CB -0.459 68.456 68.868 0.078 0.000 0.868 397 T HN 0.420 nan 8.240 nan 0.000 0.435 398 W N 2.787 124.205 121.300 0.197 0.000 2.322 398 W HA -0.258 4.405 4.660 0.005 0.000 0.326 398 W C 2.397 179.161 176.519 0.408 0.000 1.224 398 W CA 2.065 59.576 57.345 0.277 0.000 1.257 398 W CB -0.368 29.337 29.460 0.408 0.000 1.174 398 W HN 0.474 nan 8.180 nan 0.000 0.460 399 E N -0.026 120.377 120.200 0.339 0.000 2.147 399 E HA -0.278 4.074 4.350 0.004 0.000 0.199 399 E C 1.885 178.550 176.600 0.108 0.000 1.005 399 E CA 2.445 59.102 56.400 0.428 0.000 0.810 399 E CB -0.984 28.983 29.700 0.445 0.000 0.736 399 E HN 0.075 nan 8.360 nan 0.000 0.460 400 T N 0.693 115.274 114.554 0.044 0.000 2.588 400 T HA -0.217 4.136 4.350 0.004 0.000 0.261 400 T C 1.155 175.757 174.700 -0.162 0.000 1.069 400 T CA 1.580 63.639 62.100 -0.067 0.000 1.172 400 T CB -0.676 68.191 68.868 -0.000 0.000 0.863 400 T HN 0.501 nan 8.240 nan 0.000 0.408 401 W N 1.036 122.171 121.300 -0.275 0.000 2.301 401 W HA -0.273 4.389 4.660 0.004 0.000 0.325 401 W C 2.250 178.504 176.519 -0.441 0.000 1.250 401 W CA 2.079 59.221 57.345 -0.337 0.000 1.261 401 W CB -1.139 28.121 29.460 -0.334 0.000 1.157 401 W HN 0.533 nan 8.180 nan 0.000 0.473 402 W N 2.504 123.439 121.300 -0.608 0.000 2.301 402 W HA -0.286 4.376 4.660 0.004 0.000 0.325 402 W C 2.442 178.693 176.519 -0.446 0.000 1.250 402 W CA 3.668 60.591 57.345 -0.703 0.000 1.261 402 W CB -1.250 27.733 29.460 -0.794 0.000 1.157 402 W HN -0.164 nan 8.180 nan 0.000 0.473 403 T N 1.461 114.926 114.554 -1.815 0.000 2.544 403 T HA -0.341 4.011 4.350 0.004 0.000 0.264 403 T C 1.485 175.592 174.700 -0.988 0.000 1.096 403 T CA 3.159 64.046 62.100 -2.022 0.000 1.181 403 T CB -0.497 67.463 68.868 -1.514 0.000 0.864 403 T HN 0.540 nan 8.240 nan 0.000 0.415 404 E N -0.279 119.520 120.200 -0.668 0.000 2.150 404 E HA -0.079 4.273 4.350 0.004 0.000 0.193 404 E C 0.632 176.992 176.600 -0.400 0.000 0.985 404 E CA 0.311 56.453 56.400 -0.431 0.000 0.814 404 E CB -0.393 29.123 29.700 -0.306 0.000 0.752 404 E HN 0.512 nan 8.360 nan 0.000 0.466 405 Y N 2.972 122.805 120.300 -0.779 0.000 2.810 405 Y HA -0.199 4.353 4.550 0.004 0.000 0.332 405 Y C 1.236 176.848 175.900 -0.481 0.000 1.243 405 Y CA -0.950 56.642 58.100 -0.846 0.000 1.537 405 Y CB 0.306 37.962 38.460 -1.340 0.000 1.265 405 Y HN 0.272 nan 8.280 nan 0.000 0.572 406 W N 4.296 125.071 121.300 -0.876 0.000 2.358 406 W HA -0.114 4.548 4.660 0.004 0.000 0.303 406 W C 0.095 176.242 176.519 -0.621 0.000 1.208 406 W CA 0.579 57.537 57.345 -0.646 0.000 1.274 406 W CB -0.378 28.786 29.460 -0.493 0.000 1.138 406 W HN 0.496 nan 8.180 nan 0.000 0.515 407 Q N 1.538 120.154 119.800 -1.973 0.000 2.394 407 Q HA 0.375 4.717 4.340 0.004 0.000 0.248 407 Q C -0.092 175.584 176.000 -0.539 0.000 0.992 407 Q CA -0.068 54.784 55.803 -1.585 0.000 0.888 407 Q CB 1.398 28.813 28.738 -2.204 0.000 1.257 407 Q HN 0.115 nan 8.270 nan 0.000 0.462 408 A N 2.516 125.224 122.820 -0.187 0.000 2.401 408 A HA 0.417 4.739 4.320 0.004 0.000 0.259 408 A C -0.259 177.375 177.584 0.084 0.000 1.103 408 A CA 0.137 52.182 52.037 0.012 0.000 0.789 408 A CB 0.875 19.904 19.000 0.049 0.000 1.035 408 A HN 0.663 nan 8.150 nan 0.000 0.491 409 T N 2.907 117.590 114.554 0.214 0.000 2.903 409 T HA 0.668 5.021 4.350 0.004 0.000 0.299 409 T C -1.694 173.264 174.700 0.430 0.000 1.093 409 T CA -0.252 62.039 62.100 0.318 0.000 1.002 409 T CB 1.192 70.292 68.868 0.387 0.000 1.127 409 T HN 0.908 nan 8.240 nan 0.000 0.488 410 W N 4.784 126.189 121.300 0.174 0.000 4.199 410 W HA 0.451 5.113 4.660 0.004 0.000 0.288 410 W C -2.914 173.608 176.519 0.005 0.000 1.244 410 W CA -0.757 56.650 57.345 0.102 0.000 1.309 410 W CB 0.246 29.720 29.460 0.024 0.000 1.199 410 W HN 0.567 nan 8.180 nan 0.000 0.485 411 I N 8.058 128.078 120.570 -0.916 0.000 2.474 411 I HA 0.393 4.565 4.170 0.004 0.000 0.294 411 I C -1.517 173.732 176.117 -1.447 0.000 1.005 411 I CA -2.140 58.509 61.300 -1.085 0.000 1.113 411 I CB 2.368 39.713 38.000 -1.092 0.000 1.289 411 I HN 0.096 nan 8.210 nan 0.000 0.436 412 P HA 0.056 nan 4.420 nan 0.000 0.286 412 P C -0.554 176.671 177.300 -0.124 0.000 1.293 412 P CA -0.519 62.336 63.100 -0.409 0.000 0.770 412 P CB 0.343 32.053 31.700 0.016 0.000 1.206 413 E N 0.369 120.575 120.200 0.010 0.000 3.025 413 E HA -0.091 4.262 4.350 0.004 0.000 0.248 413 E C -0.436 176.280 176.600 0.193 0.000 0.938 413 E CA 0.662 57.089 56.400 0.045 0.000 0.958 413 E CB -0.038 29.681 29.700 0.031 0.000 0.898 413 E HN 0.296 nan 8.360 nan 0.000 0.537 414 W N 2.714 123.947 121.300 -0.111 0.000 3.039 414 W HA 0.673 5.335 4.660 0.003 0.000 0.354 414 W C -0.978 175.513 176.519 -0.047 0.000 1.206 414 W CA -0.989 56.313 57.345 -0.070 0.000 1.134 414 W CB 0.702 30.080 29.460 -0.137 0.000 1.493 414 W HN 0.318 nan 8.180 nan 0.000 0.591 415 E N 0.381 120.709 120.200 0.214 0.000 2.366 415 E HA 0.327 4.680 4.350 0.004 0.000 0.278 415 E C -1.579 175.202 176.600 0.302 0.000 0.923 415 E CA -0.889 55.537 56.400 0.043 0.000 0.761 415 E CB 3.158 32.876 29.700 0.031 0.000 1.231 415 E HN 0.230 nan 8.360 nan 0.000 0.443 416 F N 2.602 122.604 119.950 0.086 0.000 2.490 416 F HA 0.429 4.959 4.527 0.005 0.000 0.336 416 F C -0.678 175.203 175.800 0.136 0.000 1.178 416 F CA -0.174 57.936 58.000 0.183 0.000 1.301 416 F CB 0.880 39.944 39.000 0.106 0.000 1.175 416 F HN 0.133 nan 8.300 nan 0.000 0.593 417 V N 6.098 125.472 119.914 -0.900 0.000 2.697 417 V HA 0.263 4.386 4.120 0.004 0.000 0.300 417 V C -0.842 174.612 176.094 -1.066 0.000 1.115 417 V CA -0.889 60.941 62.300 -0.783 0.000 0.912 417 V CB 1.571 33.254 31.823 -0.233 0.000 1.024 417 V HN 0.847 nan 8.190 nan 0.000 0.431 418 N N 4.321 122.491 118.700 -0.884 0.000 3.210 418 N HA 0.099 4.842 4.740 0.004 0.000 0.314 418 N C 0.074 175.504 175.510 -0.134 0.000 1.291 418 N CA 0.470 53.282 53.050 -0.397 0.000 1.202 418 N CB 0.057 38.468 38.487 -0.127 0.000 1.475 418 N HN 0.896 nan 8.380 nan 0.000 0.554 419 T N -0.882 113.605 114.554 -0.111 0.000 2.947 419 T HA 0.463 4.815 4.350 0.004 0.000 0.337 419 T C -2.744 171.963 174.700 0.011 0.000 1.139 419 T CA -2.067 60.011 62.100 -0.037 0.000 0.992 419 T CB 1.829 70.673 68.868 -0.039 0.000 1.043 419 T HN -0.013 nan 8.240 nan 0.000 0.498 420 P HA 0.335 nan 4.420 nan 0.000 0.275 420 P C -2.035 175.275 177.300 0.016 0.000 1.228 420 P CA -1.089 62.038 63.100 0.045 0.000 0.786 420 P CB -0.117 31.611 31.700 0.047 0.000 0.927 421 P HA 0.148 nan 4.420 nan 0.000 0.269 421 P C -0.801 176.553 177.300 0.089 0.000 1.209 421 P CA -0.003 63.127 63.100 0.050 0.000 0.776 421 P CB 0.336 32.051 31.700 0.026 0.000 0.876 422 L N 2.243 123.540 121.223 0.123 0.000 2.360 422 L HA 0.251 4.594 4.340 0.004 0.000 0.271 422 L C 0.037 176.991 176.870 0.140 0.000 1.057 422 L CA -0.724 54.215 54.840 0.165 0.000 0.803 422 L CB 1.430 43.604 42.059 0.192 0.000 1.207 422 L HN 0.112 nan 8.230 nan 0.000 0.445 423 V N 3.751 123.753 119.914 0.148 0.000 2.461 423 V HA 0.434 4.556 4.120 0.004 0.000 0.275 423 V C 0.150 176.255 176.094 0.018 0.000 1.047 423 V CA -0.572 61.798 62.300 0.117 0.000 0.955 423 V CB 0.769 32.671 31.823 0.133 0.000 0.988 423 V HN 0.856 nan 8.190 nan 0.000 0.471 424 K N 4.131 124.506 120.400 -0.042 0.000 2.480 424 K HA 0.708 5.030 4.320 0.004 0.000 0.258 424 K C -1.783 174.654 176.600 -0.272 0.000 0.990 424 K CA -1.115 55.043 56.287 -0.216 0.000 0.857 424 K CB 1.790 34.029 32.500 -0.435 0.000 1.384 424 K HN 0.259 nan 8.250 nan 0.000 0.446 425 L N 1.982 123.029 121.223 -0.294 0.000 2.290 425 L HA 0.265 4.608 4.340 0.004 0.000 0.284 425 L C 0.005 176.661 176.870 -0.356 0.000 1.078 425 L CA -0.010 54.680 54.840 -0.249 0.000 0.815 425 L CB 0.252 42.222 42.059 -0.148 0.000 1.162 425 L HN 0.760 nan 8.230 nan 0.000 0.435 426 W N 4.599 125.801 121.300 -0.163 0.000 3.139 426 W HA 0.110 4.772 4.660 0.003 0.000 0.260 426 W C -0.212 176.365 176.519 0.095 0.000 1.312 426 W CA 0.115 57.435 57.345 -0.043 0.000 1.606 426 W CB -0.013 29.448 29.460 0.003 0.000 1.118 426 W HN 0.572 nan 8.180 nan 0.000 0.675 427 Y N -3.084 117.301 120.300 0.142 0.000 2.765 427 Y HA 0.451 5.003 4.550 0.004 0.000 0.350 427 Y C -1.142 174.803 175.900 0.074 0.000 1.196 427 Y CA -1.760 56.402 58.100 0.102 0.000 1.119 427 Y CB 0.299 38.832 38.460 0.122 0.000 1.368 427 Y HN -0.293 nan 8.280 nan 0.000 0.463 428 Q N 1.828 121.828 119.800 0.333 0.000 2.377 428 Q HA 0.450 4.792 4.340 0.004 0.000 0.279 428 Q C -1.978 174.147 176.000 0.209 0.000 1.049 428 Q CA -1.058 54.870 55.803 0.208 0.000 0.825 428 Q CB 3.428 32.222 28.738 0.092 0.000 1.401 428 Q HN 0.679 nan 8.270 nan 0.000 0.404 429 L N 2.235 123.555 121.223 0.162 0.000 2.289 429 L HA 0.259 4.601 4.340 0.004 0.000 0.285 429 L C 0.237 177.158 176.870 0.085 0.000 1.049 429 L CA -0.257 54.646 54.840 0.105 0.000 0.804 429 L CB 0.711 42.807 42.059 0.062 0.000 1.195 429 L HN 0.422 nan 8.230 nan 0.000 0.428 430 E N 3.004 123.274 120.200 0.117 0.000 2.568 430 E HA -0.083 4.269 4.350 0.004 0.000 0.262 430 E C 0.853 177.588 176.600 0.225 0.000 0.961 430 E CA 0.286 56.798 56.400 0.186 0.000 0.945 430 E CB 0.394 30.277 29.700 0.304 0.000 0.924 430 E HN 0.314 nan 8.360 nan 0.000 0.467 431 K N 1.406 121.911 120.400 0.174 0.000 2.062 431 K HA -0.061 4.261 4.320 0.004 0.000 0.205 431 K C 0.293 177.072 176.600 0.299 0.000 1.051 431 K CA 0.935 57.321 56.287 0.166 0.000 0.941 431 K CB 0.267 32.815 32.500 0.080 0.000 0.719 431 K HN 0.334 nan 8.250 nan 0.000 0.440 432 E N -0.324 119.992 120.200 0.193 0.000 2.277 432 E HA 0.286 4.638 4.350 0.004 0.000 0.266 432 E C -2.738 173.627 176.600 -0.391 0.000 0.901 432 E CA -2.854 53.511 56.400 -0.059 0.000 0.782 432 E CB 1.450 31.107 29.700 -0.071 0.000 1.228 432 E HN -0.224 nan 8.360 nan 0.000 0.424 433 P HA 0.029 nan 4.420 nan 0.000 0.256 433 P C -0.322 176.784 177.300 -0.323 0.000 1.189 433 P CA 0.408 62.937 63.100 -0.953 0.000 0.808 433 P CB -0.213 31.064 31.700 -0.704 0.000 0.793 434 I N 2.578 123.066 120.570 -0.136 0.000 2.826 434 I HA -0.033 4.139 4.170 0.004 0.000 0.295 434 I C 0.839 176.932 176.117 -0.041 0.000 1.213 434 I CA 0.124 61.403 61.300 -0.036 0.000 1.436 434 I CB 0.013 38.034 38.000 0.034 0.000 1.348 434 I HN 0.065 nan 8.210 nan 0.000 0.570 435 V N 5.393 125.288 119.914 -0.031 0.000 2.617 435 V HA 0.459 4.581 4.120 0.004 0.000 0.298 435 V C 1.022 177.113 176.094 -0.004 0.000 1.048 435 V CA 0.412 62.698 62.300 -0.024 0.000 0.964 435 V CB 1.383 33.190 31.823 -0.027 0.000 1.004 435 V HN 1.126 nan 8.190 nan 0.000 0.466 436 G N 3.879 112.679 108.800 0.000 0.000 2.323 436 G HA2 0.032 3.994 3.960 0.004 0.000 0.292 436 G HA3 0.032 3.994 3.960 0.004 0.000 0.292 436 G C 0.075 174.986 174.900 0.018 0.000 1.040 436 G CA 0.409 45.513 45.100 0.007 0.000 0.942 436 G HN 1.571 nan 8.290 nan 0.000 0.506 437 A N -0.746 122.090 122.820 0.026 0.000 2.393 437 A HA 0.814 5.136 4.320 0.004 0.000 0.306 437 A C 0.092 177.714 177.584 0.063 0.000 1.050 437 A CA 0.011 52.077 52.037 0.049 0.000 0.724 437 A CB 1.196 20.228 19.000 0.054 0.000 1.248 437 A HN 0.571 nan 8.150 nan 0.000 0.424 438 E N 0.283 120.534 120.200 0.085 0.000 2.461 438 E HA 0.217 4.569 4.350 0.004 0.000 0.263 438 E C -0.519 176.147 176.600 0.110 0.000 1.143 438 E CA 0.631 57.068 56.400 0.062 0.000 0.994 438 E CB 0.395 30.108 29.700 0.022 0.000 0.973 438 E HN 0.511 nan 8.360 nan 0.000 0.457 439 T N 3.404 117.988 114.554 0.049 0.000 3.241 439 T HA 0.247 4.599 4.350 0.004 0.000 0.387 439 T C -1.001 173.815 174.700 0.193 0.000 1.451 439 T CA -0.438 61.753 62.100 0.152 0.000 1.363 439 T CB -0.314 68.665 68.868 0.185 0.000 1.074 439 T HN 0.226 nan 8.240 nan 0.000 0.598 440 F N 2.330 122.323 119.950 0.072 0.000 2.494 440 F HA 0.233 4.762 4.527 0.004 0.000 0.369 440 F C 0.373 176.248 175.800 0.125 0.000 1.098 440 F CA -0.636 57.407 58.000 0.072 0.000 1.154 440 F CB 0.073 38.994 39.000 -0.131 0.000 1.103 440 F HN 0.445 nan 8.300 nan 0.000 0.549 441 Y N 3.457 123.870 120.300 0.188 0.000 2.595 441 Y HA 0.366 4.918 4.550 0.004 0.000 0.347 441 Y C 0.120 176.133 175.900 0.187 0.000 1.025 441 Y CA -0.870 57.309 58.100 0.132 0.000 1.295 441 Y CB 0.155 38.657 38.460 0.070 0.000 1.147 441 Y HN 0.227 nan 8.280 nan 0.000 0.515 442 V N 2.441 122.502 119.914 0.245 0.000 2.904 442 V HA 0.430 4.552 4.120 0.004 0.000 0.305 442 V C 0.035 176.230 176.094 0.168 0.000 1.067 442 V CA -0.695 61.750 62.300 0.243 0.000 1.044 442 V CB 1.704 33.627 31.823 0.166 0.000 1.050 442 V HN 0.536 nan 8.190 nan 0.000 0.475 443 D N -0.189 120.307 120.400 0.161 0.000 2.609 443 D HA 0.696 5.338 4.640 0.004 0.000 0.239 443 D C -0.623 175.734 176.300 0.094 0.000 1.229 443 D CA 0.046 54.109 54.000 0.105 0.000 0.808 443 D CB 2.717 43.564 40.800 0.079 0.000 1.448 443 D HN 0.984 nan 8.370 nan 0.000 0.433 444 G N -0.408 108.436 108.800 0.074 0.000 2.733 444 G HA2 0.724 4.686 3.960 0.004 0.000 0.297 444 G HA3 0.724 4.686 3.960 0.004 0.000 0.297 444 G C -1.849 173.085 174.900 0.056 0.000 1.452 444 G CA 0.052 45.194 45.100 0.069 0.000 0.940 444 G HN 0.558 nan 8.290 nan 0.000 0.547 445 A N -0.396 122.452 122.820 0.046 0.000 2.608 445 A HA 1.051 5.373 4.320 0.004 0.000 0.292 445 A C -0.776 176.828 177.584 0.033 0.000 1.066 445 A CA 0.064 52.124 52.037 0.039 0.000 0.676 445 A CB 1.332 20.350 19.000 0.031 0.000 1.277 445 A HN 2.548 nan 8.150 nan 0.000 0.413 446 A N 1.210 124.048 122.820 0.030 0.000 2.422 446 A HA 0.693 5.015 4.320 0.004 0.000 0.302 446 A C -0.756 176.841 177.584 0.022 0.000 1.041 446 A CA -0.622 51.429 52.037 0.025 0.000 0.708 446 A CB 1.106 20.119 19.000 0.021 0.000 1.257 446 A HN 0.912 nan 8.150 nan 0.000 0.414 447 N N 1.990 120.702 118.700 0.020 0.000 2.405 447 N HA 0.027 4.769 4.740 0.004 0.000 0.260 447 N C 1.096 176.615 175.510 0.015 0.000 1.152 447 N CA -0.218 52.843 53.050 0.018 0.000 0.948 447 N CB 0.574 39.070 38.487 0.016 0.000 1.111 447 N HN 0.672 nan 8.380 nan 0.000 0.485 448 R N 2.361 122.870 120.500 0.015 0.000 2.170 448 R HA -0.148 4.194 4.340 0.004 0.000 0.242 448 R C 0.682 176.988 176.300 0.009 0.000 1.145 448 R CA 1.144 57.251 56.100 0.011 0.000 0.984 448 R CB 0.109 30.416 30.300 0.011 0.000 0.869 448 R HN 0.627 nan 8.270 nan 0.000 0.455 449 E N -0.169 120.037 120.200 0.010 0.000 2.057 449 E HA -0.057 4.296 4.350 0.004 0.000 0.190 449 E C 2.039 178.645 176.600 0.009 0.000 0.969 449 E CA 1.726 58.131 56.400 0.009 0.000 0.812 449 E CB -0.316 29.389 29.700 0.009 0.000 0.777 449 E HN 0.421 nan 8.360 nan 0.000 0.455 450 T N -1.384 113.176 114.554 0.010 0.000 3.100 450 T HA 0.075 4.427 4.350 0.004 0.000 0.253 450 T C 0.684 175.390 174.700 0.011 0.000 1.118 450 T CA 0.225 62.331 62.100 0.010 0.000 1.058 450 T CB 0.067 68.941 68.868 0.010 0.000 0.953 450 T HN -0.147 nan 8.240 nan 0.000 0.515 451 K N 0.346 120.753 120.400 0.011 0.000 3.020 451 K HA -0.082 4.240 4.320 0.004 0.000 0.266 451 K C -0.388 176.220 176.600 0.014 0.000 1.067 451 K CA 0.281 56.576 56.287 0.012 0.000 0.780 451 K CB -2.080 30.427 32.500 0.011 0.000 1.220 451 K HN 0.519 nan 8.250 nan 0.000 0.483 452 L N -0.359 120.873 121.223 0.014 0.000 2.334 452 L HA 0.727 5.070 4.340 0.004 0.000 0.275 452 L C 0.759 177.640 176.870 0.018 0.000 1.036 452 L CA -0.039 54.811 54.840 0.016 0.000 0.807 452 L CB 1.797 43.864 42.059 0.013 0.000 1.231 452 L HN 0.330 nan 8.230 nan 0.000 0.438 453 G N 2.962 111.775 108.800 0.021 0.000 2.733 453 G HA2 0.444 4.406 3.960 0.004 0.000 0.297 453 G HA3 0.444 4.406 3.960 0.004 0.000 0.297 453 G C -1.438 173.477 174.900 0.025 0.000 1.422 453 G CA -0.535 44.579 45.100 0.024 0.000 0.942 453 G HN 0.367 nan 8.290 nan 0.000 0.510 454 K N -0.328 120.087 120.400 0.024 0.000 2.185 454 K HA 0.842 5.164 4.320 0.004 0.000 0.240 454 K C -0.619 176.003 176.600 0.036 0.000 0.983 454 K CA -0.896 55.405 56.287 0.023 0.000 0.873 454 K CB 2.496 35.004 32.500 0.012 0.000 1.118 454 K HN 0.990 nan 8.250 nan 0.000 0.441 455 A N 0.634 123.478 122.820 0.040 0.000 2.579 455 A HA 0.573 4.895 4.320 0.004 0.000 0.288 455 A C -0.533 177.094 177.584 0.072 0.000 1.079 455 A CA -0.311 51.764 52.037 0.064 0.000 0.889 455 A CB 0.982 20.029 19.000 0.078 0.000 1.439 455 A HN 0.735 nan 8.150 nan 0.000 0.399 456 G N 0.464 109.310 108.800 0.076 0.000 2.788 456 G HA2 0.812 4.774 3.960 0.004 0.000 0.293 456 G HA3 0.812 4.774 3.960 0.004 0.000 0.293 456 G C -1.103 173.901 174.900 0.173 0.000 1.392 456 G CA -0.122 45.021 45.100 0.071 0.000 0.810 456 G HN 1.676 nan 8.290 nan 0.000 0.508 457 Y N -2.293 118.075 120.300 0.114 0.000 2.669 457 Y HA 0.809 5.361 4.550 0.004 0.000 0.335 457 Y C -0.941 175.024 175.900 0.108 0.000 1.116 457 Y CA -1.797 56.400 58.100 0.161 0.000 1.081 457 Y CB 2.132 40.778 38.460 0.310 0.000 1.297 457 Y HN 1.020 nan 8.280 nan 0.000 0.484 458 V N 1.502 121.647 119.914 0.384 0.000 2.614 458 V HA 0.449 4.572 4.120 0.004 0.000 0.281 458 V C -0.442 175.741 176.094 0.148 0.000 1.031 458 V CA 0.335 62.730 62.300 0.160 0.000 0.899 458 V CB 0.633 32.465 31.823 0.015 0.000 1.037 458 V HN 1.338 nan 8.190 nan 0.000 0.456 459 T N 3.258 117.840 114.554 0.047 0.000 2.766 459 T HA 0.212 4.564 4.350 0.004 0.000 0.295 459 T C 1.064 175.702 174.700 -0.103 0.000 1.024 459 T CA 0.435 62.449 62.100 -0.142 0.000 1.018 459 T CB 0.902 69.464 68.868 -0.510 0.000 1.002 459 T HN 1.095 nan 8.240 nan 0.000 0.532 460 N N 1.001 119.655 118.700 -0.077 0.000 2.313 460 N HA 0.029 4.772 4.740 0.004 0.000 0.207 460 N C 0.416 175.882 175.510 -0.073 0.000 1.141 460 N CA -0.221 52.786 53.050 -0.072 0.000 0.830 460 N CB -0.150 38.339 38.487 0.003 0.000 1.008 460 N HN 0.656 nan 8.380 nan 0.000 0.481 461 R N -0.492 119.950 120.500 -0.095 0.000 2.690 461 R HA 0.260 4.602 4.340 0.004 0.000 0.419 461 R C 0.637 176.895 176.300 -0.071 0.000 1.090 461 R CA 0.147 56.200 56.100 -0.077 0.000 1.064 461 R CB 0.264 30.515 30.300 -0.081 0.000 1.391 461 R HN 0.218 nan 8.270 nan 0.000 0.586 462 G N 2.118 110.875 108.800 -0.073 0.000 2.413 462 G HA2 -0.444 3.518 3.960 0.004 0.000 0.259 462 G HA3 -0.444 3.518 3.960 0.004 0.000 0.259 462 G C 0.550 175.418 174.900 -0.054 0.000 1.003 462 G CA 0.985 46.048 45.100 -0.062 0.000 0.629 462 G HN 0.462 nan 8.290 nan 0.000 0.548 463 R N 0.831 121.302 120.500 -0.049 0.000 2.758 463 R HA 0.419 4.761 4.340 0.004 0.000 0.263 463 R C 0.357 176.655 176.300 -0.002 0.000 1.010 463 R CA 1.082 57.176 56.100 -0.010 0.000 1.114 463 R CB 0.250 30.555 30.300 0.007 0.000 0.985 463 R HN 0.488 nan 8.270 nan 0.000 0.439 464 Q N 2.037 121.806 119.800 -0.051 0.000 2.630 464 Q HA 0.359 4.701 4.340 0.004 0.000 0.295 464 Q C -1.899 173.814 176.000 -0.478 0.000 0.944 464 Q CA -0.852 54.797 55.803 -0.257 0.000 0.766 464 Q CB 1.901 30.540 28.738 -0.165 0.000 1.471 464 Q HN 0.632 nan 8.270 nan 0.000 0.416 465 K N 0.385 120.375 120.400 -0.683 0.000 2.653 465 K HA 0.544 4.866 4.320 0.004 0.000 0.274 465 K C -2.091 174.285 176.600 -0.373 0.000 0.974 465 K CA -0.434 55.533 56.287 -0.533 0.000 0.868 465 K CB 1.686 33.783 32.500 -0.672 0.000 1.408 465 K HN 0.382 nan 8.250 nan 0.000 0.397 466 V N 1.622 121.428 119.914 -0.181 0.000 3.182 466 V HA 0.780 4.902 4.120 0.004 0.000 0.308 466 V C -1.134 174.934 176.094 -0.043 0.000 1.240 466 V CA -0.797 61.448 62.300 -0.091 0.000 1.063 466 V CB 2.285 34.067 31.823 -0.067 0.000 1.076 466 V HN 0.560 nan 8.190 nan 0.000 0.446 467 V N -0.169 119.738 119.914 -0.011 0.000 3.098 467 V HA 0.481 4.603 4.120 0.004 0.000 0.294 467 V C -0.790 175.313 176.094 0.014 0.000 1.351 467 V CA -0.527 61.777 62.300 0.007 0.000 0.999 467 V CB 2.700 34.538 31.823 0.025 0.000 1.104 467 V HN 0.953 nan 8.190 nan 0.000 0.438 468 T N 4.662 119.224 114.554 0.014 0.000 2.794 468 T HA 0.794 5.147 4.350 0.004 0.000 0.280 468 T C -0.684 174.030 174.700 0.024 0.000 0.987 468 T CA -0.342 61.769 62.100 0.017 0.000 0.993 468 T CB 1.155 70.029 68.868 0.011 0.000 0.939 468 T HN 0.331 nan 8.240 nan 0.000 0.449 469 L N 2.146 123.386 121.223 0.028 0.000 2.346 469 L HA 0.463 4.806 4.340 0.004 0.000 0.276 469 L C 1.782 178.668 176.870 0.026 0.000 1.006 469 L CA -0.604 54.256 54.840 0.032 0.000 0.817 469 L CB 1.724 43.808 42.059 0.042 0.000 1.272 469 L HN 0.755 nan 8.230 nan 0.000 0.421 470 T N -0.090 114.479 114.554 0.025 0.000 2.588 470 T HA -0.096 4.256 4.350 0.004 0.000 0.261 470 T C 0.232 174.944 174.700 0.020 0.000 1.069 470 T CA 1.434 63.546 62.100 0.021 0.000 1.172 470 T CB -0.047 68.833 68.868 0.020 0.000 0.863 470 T HN 0.636 nan 8.240 nan 0.000 0.408 471 D N 1.031 121.444 120.400 0.021 0.000 2.375 471 D HA 0.440 5.082 4.640 0.004 0.000 0.259 471 D C -0.313 176.000 176.300 0.022 0.000 1.235 471 D CA -0.289 53.723 54.000 0.019 0.000 0.924 471 D CB 1.580 42.390 40.800 0.017 0.000 1.143 471 D HN 0.585 nan 8.370 nan 0.000 0.529 472 T N -1.629 112.938 114.554 0.022 0.000 2.633 472 T HA 0.849 5.201 4.350 0.004 0.000 0.262 472 T C 0.158 174.868 174.700 0.017 0.000 0.920 472 T CA -0.640 61.474 62.100 0.024 0.000 1.062 472 T CB 1.570 70.458 68.868 0.033 0.000 1.390 472 T HN 0.190 nan 8.240 nan 0.000 0.549 473 T N -2.358 112.205 114.554 0.015 0.000 2.812 473 T HA 0.462 4.815 4.350 0.004 0.000 0.294 473 T C 0.441 175.144 174.700 0.005 0.000 1.159 473 T CA -0.787 61.314 62.100 0.001 0.000 1.008 473 T CB 1.224 70.080 68.868 -0.019 0.000 1.289 473 T HN 0.431 nan 8.240 nan 0.000 0.514 474 N N 0.109 118.806 118.700 -0.006 0.000 2.058 474 N HA -0.097 4.646 4.740 0.004 0.000 0.191 474 N C 1.959 177.469 175.510 -0.001 0.000 1.037 474 N CA 1.623 54.677 53.050 0.007 0.000 0.848 474 N CB -0.403 38.087 38.487 0.005 0.000 1.021 474 N HN 0.705 nan 8.380 nan 0.000 0.422 475 Q N 0.854 120.601 119.800 -0.088 0.000 2.028 475 Q HA -0.251 4.092 4.340 0.004 0.000 0.213 475 Q C 1.704 177.734 176.000 0.049 0.000 1.017 475 Q CA 2.127 57.824 55.803 -0.177 0.000 0.875 475 Q CB -0.021 28.491 28.738 -0.376 0.000 0.962 475 Q HN 0.248 nan 8.270 nan 0.000 0.413 476 K N -0.853 119.571 120.400 0.040 0.000 2.026 476 K HA -0.147 4.176 4.320 0.004 0.000 0.208 476 K C 2.229 178.883 176.600 0.089 0.000 1.048 476 K CA 1.832 58.168 56.287 0.081 0.000 0.929 476 K CB -0.475 32.058 32.500 0.056 0.000 0.713 476 K HN 0.552 nan 8.250 nan 0.000 0.439 477 T N -0.515 114.082 114.554 0.071 0.000 2.665 477 T HA -0.211 4.142 4.350 0.004 0.000 0.268 477 T C 1.714 176.474 174.700 0.101 0.000 1.035 477 T CA 1.541 63.687 62.100 0.078 0.000 1.151 477 T CB -0.404 68.501 68.868 0.061 0.000 0.862 477 T HN 0.270 nan 8.240 nan 0.000 0.438 478 E N 0.546 120.815 120.200 0.115 0.000 2.153 478 E HA -0.037 4.315 4.350 0.004 0.000 0.194 478 E C 2.078 178.764 176.600 0.143 0.000 0.988 478 E CA 0.725 57.209 56.400 0.139 0.000 0.811 478 E CB -0.153 29.649 29.700 0.171 0.000 0.746 478 E HN 0.264 nan 8.360 nan 0.000 0.466 479 L N 0.684 122.000 121.223 0.154 0.000 2.131 479 L HA -0.110 4.232 4.340 0.004 0.000 0.206 479 L C 2.308 179.246 176.870 0.113 0.000 1.087 479 L CA 1.453 56.359 54.840 0.110 0.000 0.767 479 L CB -0.882 41.241 42.059 0.108 0.000 0.917 479 L HN 0.080 nan 8.230 nan 0.000 0.441 480 Q N -0.078 119.799 119.800 0.129 0.000 2.061 480 Q HA -0.135 4.207 4.340 0.004 0.000 0.204 480 Q C 2.279 178.378 176.000 0.164 0.000 0.984 480 Q CA 2.168 58.067 55.803 0.159 0.000 0.846 480 Q CB -0.362 28.452 28.738 0.126 0.000 0.902 480 Q HN 0.431 nan 8.270 nan 0.000 0.421 481 A N 0.200 123.101 122.820 0.136 0.000 1.859 481 A HA -0.212 4.110 4.320 0.004 0.000 0.217 481 A C 2.136 179.787 177.584 0.111 0.000 1.198 481 A CA 1.935 54.057 52.037 0.142 0.000 0.629 481 A CB -1.005 18.077 19.000 0.138 0.000 0.830 481 A HN 0.465 nan 8.150 nan 0.000 0.446 482 I N -1.857 118.764 120.570 0.085 0.000 2.454 482 I HA -0.250 3.923 4.170 0.004 0.000 0.254 482 I C 2.436 178.578 176.117 0.042 0.000 1.156 482 I CA 1.375 62.690 61.300 0.025 0.000 1.433 482 I CB -0.443 37.562 38.000 0.009 0.000 1.082 482 I HN 0.502 nan 8.210 nan 0.000 0.432 483 Y N 1.723 121.987 120.300 -0.060 0.000 2.133 483 Y HA -0.194 4.358 4.550 0.004 0.000 0.287 483 Y C 2.259 178.103 175.900 -0.093 0.000 1.134 483 Y CA 1.261 59.317 58.100 -0.073 0.000 1.133 483 Y CB -0.620 37.822 38.460 -0.031 0.000 0.987 483 Y HN 0.011 nan 8.280 nan 0.000 0.502 484 L N -0.240 120.939 121.223 -0.072 0.000 1.956 484 L HA -0.327 4.016 4.340 0.004 0.000 0.216 484 L C 2.712 179.405 176.870 -0.296 0.000 1.073 484 L CA 1.835 56.591 54.840 -0.140 0.000 0.762 484 L CB -1.271 40.864 42.059 0.126 0.000 0.889 484 L HN 0.303 nan 8.230 nan 0.000 0.433 485 A N -0.474 122.107 122.820 -0.398 0.000 2.042 485 A HA -0.227 4.096 4.320 0.004 0.000 0.222 485 A C 2.197 179.163 177.584 -1.030 0.000 1.167 485 A CA 1.759 53.159 52.037 -1.062 0.000 0.649 485 A CB -0.664 17.885 19.000 -0.752 0.000 0.809 485 A HN 0.453 nan 8.150 nan 0.000 0.457 486 L N -1.905 119.017 121.223 -0.503 0.000 2.162 486 L HA -0.122 4.220 4.340 0.004 0.000 0.205 486 L C 2.808 179.493 176.870 -0.307 0.000 1.086 486 L CA 1.191 55.822 54.840 -0.348 0.000 0.778 486 L CB -0.391 41.594 42.059 -0.125 0.000 0.928 486 L HN 0.459 nan 8.230 nan 0.000 0.446 487 Q N -0.107 119.494 119.800 -0.333 0.000 2.124 487 Q HA -0.174 4.169 4.340 0.004 0.000 0.202 487 Q C 0.093 175.977 176.000 -0.194 0.000 0.977 487 Q CA 1.129 56.753 55.803 -0.298 0.000 0.850 487 Q CB 0.285 28.733 28.738 -0.484 0.000 0.901 487 Q HN 0.401 nan 8.270 nan 0.000 0.429 488 D N -0.936 119.338 120.400 -0.209 0.000 3.071 488 D HA 0.054 4.696 4.640 0.004 0.000 0.259 488 D C 0.179 176.485 176.300 0.010 0.000 1.331 488 D CA 0.164 54.141 54.000 -0.039 0.000 0.861 488 D CB 0.686 41.555 40.800 0.116 0.000 1.059 488 D HN 0.156 nan 8.370 nan 0.000 0.486 489 S N -1.891 113.766 115.700 -0.071 0.000 2.760 489 S HA 0.349 4.821 4.470 0.004 0.000 0.263 489 S C 0.997 175.613 174.600 0.027 0.000 1.007 489 S CA 0.143 58.356 58.200 0.023 0.000 1.358 489 S CB 0.374 63.522 63.200 -0.086 0.000 1.228 489 S HN 0.367 nan 8.310 nan 0.000 0.684 490 G N 2.234 111.030 108.800 -0.007 0.000 2.955 490 G HA2 -0.121 3.841 3.960 0.004 0.000 0.604 490 G HA3 -0.121 3.841 3.960 0.004 0.000 0.604 490 G C 0.152 175.057 174.900 0.009 0.000 1.572 490 G CA -0.395 44.710 45.100 0.008 0.000 1.016 490 G HN 0.816 nan 8.290 nan 0.000 0.569 491 L N 0.081 121.312 121.223 0.013 0.000 2.814 491 L HA -0.076 4.266 4.340 0.004 0.000 0.239 491 L C 1.848 178.731 176.870 0.023 0.000 1.204 491 L CA 2.338 57.188 54.840 0.017 0.000 0.825 491 L CB -0.742 41.330 42.059 0.022 0.000 0.971 491 L HN 0.749 nan 8.230 nan 0.000 0.461 492 E N -1.650 118.567 120.200 0.028 0.000 3.625 492 E HA 0.154 4.506 4.350 0.004 0.000 0.166 492 E C -0.434 176.202 176.600 0.059 0.000 0.978 492 E CA -0.181 56.244 56.400 0.041 0.000 1.429 492 E CB 0.761 30.486 29.700 0.042 0.000 1.100 492 E HN 0.107 nan 8.360 nan 0.000 0.428 493 V N 0.091 120.033 119.914 0.045 0.000 3.287 493 V HA 0.133 4.256 4.120 0.004 0.000 0.306 493 V C 0.492 176.648 176.094 0.103 0.000 1.103 493 V CA -0.129 62.216 62.300 0.075 0.000 1.159 493 V CB 0.502 32.299 31.823 -0.043 0.000 1.036 493 V HN 0.267 nan 8.190 nan 0.000 0.487 494 N N 1.379 120.172 118.700 0.155 0.000 2.296 494 N HA 0.613 5.356 4.740 0.004 0.000 0.294 494 N C -1.451 174.149 175.510 0.149 0.000 1.033 494 N CA -0.613 52.542 53.050 0.175 0.000 0.839 494 N CB 2.042 40.625 38.487 0.160 0.000 1.395 494 N HN 0.560 nan 8.380 nan 0.000 0.479 495 I N 2.233 122.855 120.570 0.088 0.000 2.466 495 I HA 0.281 4.454 4.170 0.004 0.000 0.289 495 I C -0.426 175.672 176.117 -0.031 0.000 1.026 495 I CA -0.985 60.331 61.300 0.026 0.000 1.078 495 I CB 2.098 40.075 38.000 -0.037 0.000 1.249 495 I HN 0.156 nan 8.210 nan 0.000 0.429 496 V N 5.594 125.449 119.914 -0.098 0.000 2.378 496 V HA 0.570 4.693 4.120 0.004 0.000 0.288 496 V C -0.289 175.734 176.094 -0.119 0.000 1.016 496 V CA 0.164 62.353 62.300 -0.184 0.000 0.840 496 V CB 1.681 33.259 31.823 -0.408 0.000 0.994 496 V HN 0.909 nan 8.190 nan 0.000 0.431 497 T N 3.263 117.779 114.554 -0.063 0.000 2.950 497 T HA 0.468 4.820 4.350 0.004 0.000 0.288 497 T C 0.405 175.040 174.700 -0.109 0.000 1.035 497 T CA 0.103 62.195 62.100 -0.013 0.000 1.028 497 T CB 1.776 70.687 68.868 0.073 0.000 1.109 497 T HN 0.880 nan 8.240 nan 0.000 0.514 498 D N 0.730 121.093 120.400 -0.063 0.000 2.433 498 D HA 0.101 4.743 4.640 0.004 0.000 0.211 498 D C 0.428 176.898 176.300 0.283 0.000 1.114 498 D CA -0.222 53.672 54.000 -0.176 0.000 0.837 498 D CB 0.099 40.829 40.800 -0.117 0.000 0.984 498 D HN 0.336 nan 8.370 nan 0.000 0.505 499 S N 0.578 116.484 115.700 0.343 0.000 2.423 499 S HA 0.121 4.593 4.470 0.004 0.000 0.317 499 S C 0.987 175.825 174.600 0.397 0.000 1.065 499 S CA -0.507 57.917 58.200 0.373 0.000 1.111 499 S CB 1.674 65.036 63.200 0.270 0.000 0.968 499 S HN 0.064 nan 8.310 nan 0.000 0.474 500 Q N 3.270 123.237 119.800 0.277 0.000 2.124 500 Q HA -0.144 4.198 4.340 0.004 0.000 0.202 500 Q C 1.219 177.244 176.000 0.042 0.000 0.977 500 Q CA 1.623 57.386 55.803 -0.067 0.000 0.850 500 Q CB -0.215 28.362 28.738 -0.269 0.000 0.901 500 Q HN 0.997 nan 8.270 nan 0.000 0.429 501 Y N 0.573 120.883 120.300 0.017 0.000 2.030 501 Y HA -0.347 4.206 4.550 0.004 0.000 0.274 501 Y C 2.088 178.004 175.900 0.026 0.000 1.153 501 Y CA 2.039 60.153 58.100 0.024 0.000 1.115 501 Y CB -0.824 37.663 38.460 0.045 0.000 0.969 501 Y HN 0.124 nan 8.280 nan 0.000 0.488 502 A N 1.153 123.901 122.820 -0.119 0.000 1.908 502 A HA -0.202 4.120 4.320 0.004 0.000 0.218 502 A C 2.478 179.971 177.584 -0.151 0.000 1.181 502 A CA 1.806 53.709 52.037 -0.222 0.000 0.627 502 A CB -1.350 17.651 19.000 0.001 0.000 0.818 502 A HN 0.677 nan 8.150 nan 0.000 0.445 503 L N -0.662 120.538 121.223 -0.039 0.000 1.963 503 L HA -0.232 4.111 4.340 0.004 0.000 0.220 503 L C 2.683 179.516 176.870 -0.062 0.000 1.076 503 L CA 2.252 57.077 54.840 -0.026 0.000 0.772 503 L CB -1.238 40.826 42.059 0.009 0.000 0.892 503 L HN 0.480 nan 8.230 nan 0.000 0.435 504 G N 0.112 108.861 108.800 -0.085 0.000 2.553 504 G HA2 -0.347 3.615 3.960 0.004 0.000 0.218 504 G HA3 -0.347 3.615 3.960 0.004 0.000 0.218 504 G C 1.489 176.371 174.900 -0.029 0.000 1.195 504 G CA 1.414 46.477 45.100 -0.061 0.000 0.779 504 G HN 0.468 nan 8.290 nan 0.000 0.577 505 I N 0.567 121.047 120.570 -0.149 0.000 2.087 505 I HA -0.264 3.908 4.170 0.004 0.000 0.240 505 I C 2.721 178.807 176.117 -0.050 0.000 1.054 505 I CA 1.472 62.668 61.300 -0.173 0.000 1.311 505 I CB -0.346 37.364 38.000 -0.484 0.000 1.024 505 I HN 0.165 nan 8.210 nan 0.000 0.402 506 I N -0.123 120.415 120.570 -0.053 0.000 2.252 506 I HA -0.276 3.896 4.170 0.004 0.000 0.245 506 I C 2.628 178.825 176.117 0.133 0.000 1.102 506 I CA 1.235 62.565 61.300 0.050 0.000 1.385 506 I CB -0.476 37.519 38.000 -0.009 0.000 1.064 506 I HN 0.229 nan 8.210 nan 0.000 0.414 507 Q N 0.929 120.777 119.800 0.079 0.000 2.197 507 Q HA -0.222 4.120 4.340 0.004 0.000 0.207 507 Q C 2.088 178.186 176.000 0.162 0.000 0.984 507 Q CA 1.802 57.663 55.803 0.097 0.000 0.869 507 Q CB -0.176 28.593 28.738 0.051 0.000 0.906 507 Q HN 0.604 nan 8.270 nan 0.000 0.426 508 A N -0.168 122.778 122.820 0.210 0.000 2.239 508 A HA -0.093 4.229 4.320 0.004 0.000 0.209 508 A C 0.175 177.938 177.584 0.298 0.000 1.171 508 A CA 0.596 52.813 52.037 0.300 0.000 0.768 508 A CB -0.157 19.045 19.000 0.338 0.000 0.790 508 A HN 0.549 nan 8.150 nan 0.000 0.478 509 Q N -2.203 117.726 119.800 0.215 0.000 2.453 509 Q HA -0.150 4.192 4.340 0.004 0.000 0.294 509 Q C -2.172 173.824 176.000 -0.007 0.000 1.295 509 Q CA 0.318 56.136 55.803 0.024 0.000 0.853 509 Q CB -2.077 26.634 28.738 -0.044 0.000 1.193 509 Q HN 0.470 nan 8.270 nan 0.000 0.461 510 P HA -0.083 nan 4.420 nan 0.000 0.269 510 P C 0.233 177.605 177.300 0.118 0.000 1.211 510 P CA 0.648 63.827 63.100 0.131 0.000 0.781 510 P CB 0.395 32.183 31.700 0.148 0.000 0.877 511 D N -0.637 119.811 120.400 0.080 0.000 2.602 511 D HA 0.051 4.693 4.640 0.004 0.000 0.265 511 D C -0.485 175.817 176.300 0.005 0.000 1.454 511 D CA -0.100 53.932 54.000 0.054 0.000 0.795 511 D CB 0.006 40.828 40.800 0.037 0.000 1.140 511 D HN 0.463 nan 8.370 nan 0.000 0.486 512 Q N -1.098 118.728 119.800 0.044 0.000 2.617 512 Q HA 0.523 4.865 4.340 0.004 0.000 0.270 512 Q C -1.697 174.357 176.000 0.090 0.000 0.967 512 Q CA -0.836 54.987 55.803 0.033 0.000 0.887 512 Q CB 1.349 30.101 28.738 0.024 0.000 1.516 512 Q HN 0.009 nan 8.270 nan 0.000 0.395 513 S N 0.038 115.789 115.700 0.086 0.000 2.542 513 S HA 0.210 4.683 4.470 0.004 0.000 0.276 513 S C -0.042 174.625 174.600 0.111 0.000 1.148 513 S CA -0.330 57.967 58.200 0.162 0.000 0.886 513 S CB 1.953 65.308 63.200 0.259 0.000 1.109 513 S HN 0.718 nan 8.310 nan 0.000 0.458 514 E N 1.485 121.744 120.200 0.097 0.000 2.187 514 E HA -0.104 4.248 4.350 0.004 0.000 0.199 514 E C 0.667 177.310 176.600 0.072 0.000 1.004 514 E CA 1.396 57.830 56.400 0.057 0.000 0.813 514 E CB 0.052 29.765 29.700 0.021 0.000 0.736 514 E HN 0.523 nan 8.360 nan 0.000 0.468 515 S N -0.274 115.499 115.700 0.122 0.000 2.565 515 S HA 0.045 4.517 4.470 0.004 0.000 0.274 515 S C 0.810 175.428 174.600 0.031 0.000 1.309 515 S CA -0.608 57.644 58.200 0.087 0.000 1.043 515 S CB 1.582 64.855 63.200 0.123 0.000 0.939 515 S HN 0.078 nan 8.310 nan 0.000 0.504 516 E N 3.142 123.345 120.200 0.006 0.000 2.076 516 E HA -0.044 4.309 4.350 0.004 0.000 0.190 516 E C 1.691 178.241 176.600 -0.083 0.000 0.979 516 E CA 1.120 57.502 56.400 -0.030 0.000 0.807 516 E CB -0.463 29.226 29.700 -0.019 0.000 0.761 516 E HN 0.644 nan 8.360 nan 0.000 0.454 517 L N 0.119 121.297 121.223 -0.076 0.000 1.989 517 L HA -0.142 4.201 4.340 0.004 0.000 0.211 517 L C 2.250 179.000 176.870 -0.199 0.000 1.071 517 L CA 1.720 56.471 54.840 -0.148 0.000 0.749 517 L CB -0.874 41.153 42.059 -0.053 0.000 0.890 517 L HN 0.127 nan 8.230 nan 0.000 0.431 518 V N -0.148 119.700 119.914 -0.110 0.000 2.594 518 V HA -0.286 3.836 4.120 0.004 0.000 0.253 518 V C 2.275 178.294 176.094 -0.125 0.000 1.069 518 V CA 1.936 64.159 62.300 -0.128 0.000 1.082 518 V CB -1.031 30.719 31.823 -0.121 0.000 0.680 518 V HN 0.547 nan 8.190 nan 0.000 0.469 519 N N -0.144 118.494 118.700 -0.104 0.000 2.142 519 N HA -0.180 4.562 4.740 0.004 0.000 0.186 519 N C 1.994 177.410 175.510 -0.156 0.000 1.023 519 N CA 1.250 54.242 53.050 -0.097 0.000 0.852 519 N CB -0.053 38.396 38.487 -0.063 0.000 0.998 519 N HN 0.626 nan 8.380 nan 0.000 0.424 520 Q N 0.457 120.099 119.800 -0.262 0.000 2.079 520 Q HA -0.096 4.246 4.340 0.004 0.000 0.200 520 Q C 1.941 177.700 176.000 -0.402 0.000 0.974 520 Q CA 0.957 56.535 55.803 -0.375 0.000 0.840 520 Q CB -0.304 28.017 28.738 -0.695 0.000 0.898 520 Q HN 0.468 nan 8.270 nan 0.000 0.430 521 I N 0.728 121.018 120.570 -0.466 0.000 2.399 521 I HA -0.291 3.882 4.170 0.004 0.000 0.254 521 I C 2.102 178.109 176.117 -0.182 0.000 1.146 521 I CA 1.049 62.187 61.300 -0.270 0.000 1.412 521 I CB -0.204 37.670 38.000 -0.209 0.000 1.076 521 I HN 0.172 nan 8.210 nan 0.000 0.432 522 I N 0.723 121.202 120.570 -0.151 0.000 2.233 522 I HA -0.258 3.914 4.170 0.004 0.000 0.243 522 I C 2.400 178.469 176.117 -0.080 0.000 1.093 522 I CA 1.395 62.642 61.300 -0.089 0.000 1.380 522 I CB -0.240 37.763 38.000 0.006 0.000 1.067 522 I HN 0.218 nan 8.210 nan 0.000 0.413 523 E N 0.331 120.489 120.200 -0.070 0.000 2.070 523 E HA -0.303 4.050 4.350 0.004 0.000 0.197 523 E C 2.001 178.590 176.600 -0.020 0.000 1.004 523 E CA 1.207 57.586 56.400 -0.035 0.000 0.805 523 E CB -0.501 29.184 29.700 -0.024 0.000 0.744 523 E HN 0.461 nan 8.360 nan 0.000 0.451 524 Q N 1.029 120.817 119.800 -0.019 0.000 1.956 524 Q HA -0.183 4.159 4.340 0.004 0.000 0.208 524 Q C 2.598 178.548 176.000 -0.083 0.000 0.998 524 Q CA 1.698 57.491 55.803 -0.017 0.000 0.855 524 Q CB -0.729 28.020 28.738 0.020 0.000 0.928 524 Q HN 0.399 nan 8.270 nan 0.000 0.418 525 L N 0.523 121.627 121.223 -0.199 0.000 2.085 525 L HA -0.273 4.070 4.340 0.004 0.000 0.218 525 L C 2.529 179.294 176.870 -0.174 0.000 1.080 525 L CA 1.303 55.927 54.840 -0.360 0.000 0.776 525 L CB -0.918 40.570 42.059 -0.951 0.000 0.891 525 L HN 0.253 nan 8.230 nan 0.000 0.437 526 I N -0.309 120.243 120.570 -0.031 0.000 2.133 526 I HA -0.261 3.911 4.170 0.004 0.000 0.238 526 I C 2.585 178.772 176.117 0.116 0.000 1.074 526 I CA 1.480 62.880 61.300 0.165 0.000 1.342 526 I CB -0.554 37.577 38.000 0.220 0.000 1.053 526 I HN 0.230 nan 8.210 nan 0.000 0.404 527 K N 1.031 121.469 120.400 0.063 0.000 2.063 527 K HA -0.168 4.154 4.320 0.004 0.000 0.208 527 K C 1.257 177.880 176.600 0.037 0.000 1.048 527 K CA 1.124 57.441 56.287 0.051 0.000 0.928 527 K CB -0.209 32.310 32.500 0.031 0.000 0.713 527 K HN 0.060 nan 8.250 nan 0.000 0.442 528 K N 0.487 120.895 120.400 0.013 0.000 2.171 528 K HA -0.164 4.158 4.320 0.004 0.000 0.248 528 K C 1.116 177.733 176.600 0.029 0.000 1.068 528 K CA 1.222 57.512 56.287 0.006 0.000 0.777 528 K CB 0.209 32.694 32.500 -0.026 0.000 1.061 528 K HN 0.098 nan 8.250 nan 0.000 0.535 529 E N -0.834 119.382 120.200 0.028 0.000 2.571 529 E HA 0.129 4.481 4.350 0.004 0.000 0.204 529 E C -0.664 175.962 176.600 0.044 0.000 0.851 529 E CA 0.065 56.488 56.400 0.039 0.000 1.358 529 E CB 0.689 30.409 29.700 0.033 0.000 1.327 529 E HN 0.244 nan 8.360 nan 0.000 0.665 530 K N 0.987 121.412 120.400 0.041 0.000 2.553 530 K HA 0.417 4.739 4.320 0.004 0.000 0.250 530 K C -1.852 174.781 176.600 0.056 0.000 0.953 530 K CA -0.454 55.866 56.287 0.054 0.000 0.800 530 K CB 2.544 35.075 32.500 0.053 0.000 1.243 530 K HN -0.127 nan 8.250 nan 0.000 0.435 531 V N 4.647 124.601 119.914 0.067 0.000 2.482 531 V HA 0.304 4.427 4.120 0.004 0.000 0.295 531 V C -1.122 175.034 176.094 0.103 0.000 1.026 531 V CA -0.933 61.403 62.300 0.061 0.000 0.856 531 V CB 1.286 33.104 31.823 -0.008 0.000 1.001 531 V HN 0.694 nan 8.190 nan 0.000 0.424 532 Y N 5.668 125.971 120.300 0.006 0.000 2.496 532 Y HA 0.873 5.425 4.550 0.004 0.000 0.331 532 Y C -0.834 175.067 175.900 0.001 0.000 1.140 532 Y CA -1.164 56.941 58.100 0.010 0.000 1.166 532 Y CB 1.880 40.346 38.460 0.010 0.000 1.249 532 Y HN 0.579 nan 8.280 nan 0.000 0.479 533 L N 4.049 124.833 121.223 -0.733 0.000 2.676 533 L HA 0.813 5.155 4.340 0.004 0.000 0.262 533 L C -1.840 174.752 176.870 -0.462 0.000 0.932 533 L CA -0.236 54.379 54.840 -0.375 0.000 0.932 533 L CB 1.273 43.209 42.059 -0.206 0.000 1.355 533 L HN 0.774 nan 8.230 nan 0.000 0.421 534 A N 3.450 126.157 122.820 -0.188 0.000 2.435 534 A HA 0.896 5.219 4.320 0.004 0.000 0.296 534 A C -2.105 175.511 177.584 0.053 0.000 1.147 534 A CA -0.537 51.469 52.037 -0.052 0.000 0.775 534 A CB 1.248 20.303 19.000 0.091 0.000 1.340 534 A HN 0.919 nan 8.150 nan 0.000 0.427 535 W N 0.577 121.843 121.300 -0.056 0.000 2.781 535 W HA 0.625 5.287 4.660 0.004 0.000 0.345 535 W C -0.895 175.617 176.519 -0.012 0.000 1.085 535 W CA -0.267 57.058 57.345 -0.034 0.000 1.198 535 W CB 1.818 31.260 29.460 -0.030 0.000 1.423 535 W HN 1.094 nan 8.180 nan 0.000 0.532 536 V N 2.001 120.998 119.914 -1.530 0.000 3.202 536 V HA 0.766 4.888 4.120 0.004 0.000 0.306 536 V C -3.004 172.017 176.094 -1.788 0.000 1.283 536 V CA -2.777 58.705 62.300 -1.364 0.000 1.065 536 V CB 1.884 33.366 31.823 -0.569 0.000 1.079 536 V HN 0.452 nan 8.190 nan 0.000 0.448 537 P HA 0.618 nan 4.420 nan 0.000 0.290 537 P C -0.750 176.417 177.300 -0.221 0.000 1.276 537 P CA 0.018 62.853 63.100 -0.441 0.000 0.808 537 P CB 1.485 33.108 31.700 -0.129 0.000 0.966 538 A N 2.397 125.168 122.820 -0.082 0.000 2.293 538 A HA 0.521 4.843 4.320 0.004 0.000 0.302 538 A C 0.122 177.761 177.584 0.092 0.000 1.119 538 A CA -0.094 51.923 52.037 -0.034 0.000 0.823 538 A CB -0.380 18.609 19.000 -0.017 0.000 1.097 538 A HN 0.798 nan 8.150 nan 0.000 0.491 539 H N -1.927 117.136 119.070 -0.012 0.000 3.628 539 H HA -0.109 4.449 4.556 0.004 0.000 0.173 539 H C -0.508 174.817 175.328 -0.005 0.000 0.941 539 H CA 1.626 57.674 56.048 -0.001 0.000 1.224 539 H CB -0.942 28.826 29.762 0.010 0.000 0.992 539 H HN 0.506 nan 8.280 nan 0.000 0.383 540 K N 0.365 120.805 120.400 0.066 0.000 2.206 540 K HA 0.475 4.797 4.320 0.004 0.000 0.264 540 K C 0.777 177.379 176.600 0.004 0.000 0.967 540 K CA 0.081 56.388 56.287 0.033 0.000 0.844 540 K CB 1.467 33.974 32.500 0.012 0.000 1.099 540 K HN 0.298 nan 8.250 nan 0.000 0.441 541 G N 3.034 111.839 108.800 0.008 0.000 2.899 541 G HA2 0.022 3.984 3.960 0.004 0.000 0.258 541 G HA3 0.022 3.984 3.960 0.004 0.000 0.258 541 G C -0.170 174.729 174.900 -0.002 0.000 0.765 541 G CA 0.023 45.122 45.100 -0.002 0.000 2.018 541 G HN 0.355 nan 8.290 nan 0.000 0.587 542 I N 0.808 121.375 120.570 -0.006 0.000 2.440 542 I HA 0.457 4.630 4.170 0.004 0.000 0.294 542 I C 1.580 177.731 176.117 0.057 0.000 0.995 542 I CA 0.442 61.748 61.300 0.010 0.000 1.306 542 I CB 1.174 39.153 38.000 -0.034 0.000 1.407 542 I HN 0.414 nan 8.210 nan 0.000 0.501 543 G N 4.635 113.500 108.800 0.107 0.000 2.664 543 G HA2 -0.314 3.648 3.960 0.004 0.000 0.595 543 G HA3 -0.314 3.648 3.960 0.004 0.000 0.595 543 G C 0.956 175.814 174.900 -0.071 0.000 1.190 543 G CA 0.577 45.744 45.100 0.111 0.000 0.891 543 G HN 1.101 nan 8.290 nan 0.000 0.663 544 G N 0.130 108.759 108.800 -0.284 0.000 3.440 544 G HA2 0.189 4.151 3.960 0.004 0.000 0.263 544 G HA3 0.189 4.151 3.960 0.004 0.000 0.263 544 G C 1.148 176.035 174.900 -0.022 0.000 1.236 544 G CA 0.969 45.923 45.100 -0.245 0.000 0.927 544 G HN 0.695 nan 8.290 nan 0.000 0.530 545 N N 1.431 120.169 118.700 0.064 0.000 2.142 545 N HA -0.128 4.614 4.740 0.004 0.000 0.186 545 N C 2.191 177.689 175.510 -0.019 0.000 1.023 545 N CA 1.432 54.511 53.050 0.048 0.000 0.852 545 N CB -0.001 38.494 38.487 0.014 0.000 0.998 545 N HN 0.673 nan 8.380 nan 0.000 0.424 546 E N 0.362 120.541 120.200 -0.034 0.000 2.204 546 E HA -0.226 4.126 4.350 0.004 0.000 0.195 546 E C 1.629 178.199 176.600 -0.051 0.000 0.990 546 E CA 0.889 57.259 56.400 -0.050 0.000 0.821 546 E CB -0.084 29.592 29.700 -0.040 0.000 0.750 546 E HN 0.380 nan 8.360 nan 0.000 0.477 547 Q N 1.421 121.191 119.800 -0.050 0.000 1.858 547 Q HA -0.034 4.308 4.340 0.004 0.000 0.224 547 Q C 1.347 177.325 176.000 -0.036 0.000 0.980 547 Q CA 1.657 57.428 55.803 -0.053 0.000 0.868 547 Q CB -0.240 28.451 28.738 -0.077 0.000 0.920 547 Q HN 0.267 nan 8.270 nan 0.000 0.427 548 V N 0.000 119.907 119.914 -0.012 0.000 2.409 548 V HA 0.000 4.122 4.120 0.004 0.000 0.244 548 V CA 0.000 62.303 62.300 0.004 0.000 1.235 548 V CB 0.000 31.858 31.823 0.059 0.000 1.184 548 V HN 0.000 nan 8.190 nan 0.000 0.556