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 2d4h_1_A DATA FIRST_RESID 5 DATA SEQUENCE IHMTGPMCLI ENTNGRLMAN PEALKILSAI TQPMVVVAIV GLYRTGKSYL DATA SEQUENCE MNKLAGKKKG FSLGSTVQXX XKGIWMWCVP HPKKPGHILV LLDTEGLGDV DATA SEQUENCE EXXXNQNDSW IFALAVLLSS TFVYNSIGTI NQQAMDQLYY VTELTHRIRS DATA SEQUENCE KSSPDEXXXX XXXSADFVSF FPDFVWTLRD FSLDLEADGQ PLTPDEYLTY DATA SEQUENCE SLKLKKGTSQ KDETFNLPRL CIRKFFPKKK CFVFDRPVHR RKLAQLEKLQ DATA SEQUENCE DEELDPEFVQ QVADFCSYIF SNSKTKTLSG GIQVNGPRLE SLVLTYVNAI DATA SEQUENCE SSGDLPCMEN AV 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 5 I HA 0.000 nan 4.170 nan 0.000 0.288 5 I C 0.000 176.194 176.117 0.128 0.000 1.063 5 I CA 0.000 61.349 61.300 0.081 0.000 1.566 5 I CB 0.000 38.048 38.000 0.080 0.000 1.214 6 H N 1.847 120.950 119.070 0.056 0.000 2.021 6 H HA -0.272 -12.205 4.556 -27.482 0.000 0.204 6 H C 1.188 176.564 175.328 0.079 0.000 1.196 6 H CA 2.387 58.468 56.048 0.055 0.000 1.505 6 H CB -0.132 29.650 29.762 0.033 0.000 1.827 6 H HN 0.381 nan 8.280 nan 0.000 0.737 7 M N 1.941 121.681 119.600 0.234 0.000 2.621 7 M HA -0.182 -12.191 4.480 -27.482 0.000 0.511 7 M C 1.593 178.018 176.300 0.209 0.000 1.534 7 M CA 1.052 56.450 55.300 0.163 0.000 0.989 7 M CB -0.294 32.422 32.600 0.193 0.000 1.872 7 M HN 0.463 nan 8.290 nan 0.000 0.513 8 T N -0.547 114.079 114.554 0.120 0.000 2.857 8 T HA 0.170 -11.969 4.350 -27.482 0.000 0.266 8 T C 0.974 175.695 174.700 0.035 0.000 1.048 8 T CA 0.873 63.058 62.100 0.141 0.000 1.139 8 T CB 0.183 69.110 68.868 0.098 0.000 0.874 8 T HN 0.716 nan 8.240 nan 0.000 0.455 9 G N 1.366 109.956 108.800 -0.350 0.000 2.949 9 G HA2 0.651 -11.878 3.960 -27.482 0.000 0.285 9 G HA3 0.651 -11.878 3.960 -27.482 0.000 0.285 9 G C -3.139 170.989 174.900 -1.287 0.000 1.395 9 G CA -1.700 42.817 45.100 -0.971 0.000 0.901 9 G HN 0.103 nan 8.290 nan 0.000 0.519 10 P HA 0.342 nan 4.420 nan 0.000 0.274 10 P C -0.676 176.648 177.300 0.040 0.000 1.246 10 P CA -0.124 62.733 63.100 -0.406 0.000 0.795 10 P CB 1.344 33.054 31.700 0.016 0.000 1.006 11 M N 1.188 120.832 119.600 0.074 0.000 2.371 11 M HA 0.271 -11.738 4.480 -27.482 0.000 0.287 11 M C -1.162 174.729 176.300 -0.682 0.000 1.149 11 M CA -0.900 54.208 55.300 -0.318 0.000 0.929 11 M CB 1.824 34.284 32.600 -0.233 0.000 1.683 11 M HN 0.445 nan 8.290 nan 0.000 0.470 12 C N 5.068 123.421 119.300 -1.579 0.000 2.633 12 C HA 0.222 -11.807 4.460 -27.482 0.000 0.415 12 C C 1.171 175.820 174.990 -0.568 0.000 1.393 12 C CA -0.248 57.901 59.018 -1.449 0.000 1.700 12 C CB -0.254 26.623 27.740 -1.438 0.000 2.541 12 C HN 0.964 nan 8.230 nan 0.000 0.603 13 L N 6.162 127.196 121.223 -0.315 0.000 2.388 13 L HA 0.575 -11.574 4.340 -27.482 0.000 0.209 13 L C 0.356 177.172 176.870 -0.089 0.000 1.061 13 L CA 1.324 56.081 54.840 -0.137 0.000 0.834 13 L CB -0.049 41.992 42.059 -0.031 0.000 1.029 13 L HN 0.733 nan 8.230 nan 0.000 0.473 14 I N 0.979 121.513 120.570 -0.061 0.000 2.468 14 I HA 0.245 -12.074 4.170 -27.482 0.000 0.285 14 I C -0.838 175.275 176.117 -0.007 0.000 1.039 14 I CA -0.518 60.773 61.300 -0.015 0.000 1.074 14 I CB 1.795 39.822 38.000 0.044 0.000 1.228 14 I HN 0.194 nan 8.210 nan 0.000 0.436 15 E N 5.780 125.966 120.200 -0.022 0.000 2.204 15 E HA 0.335 -11.804 4.350 -27.482 0.000 0.276 15 E C -0.816 175.802 176.600 0.030 0.000 0.974 15 E CA -0.875 55.530 56.400 0.008 0.000 0.815 15 E CB 1.693 31.380 29.700 -0.023 0.000 1.119 15 E HN 0.362 nan 8.360 nan 0.000 0.393 16 N N 2.544 121.278 118.700 0.058 0.000 2.485 16 N HA 0.145 -11.604 4.740 -27.482 0.000 0.243 16 N C -1.679 173.851 175.510 0.033 0.000 0.987 16 N CA -0.094 52.985 53.050 0.048 0.000 0.940 16 N CB 1.563 40.092 38.487 0.069 0.000 1.122 16 N HN 0.670 nan 8.380 nan 0.000 0.509 17 T N 2.431 116.994 114.554 0.014 0.000 2.921 17 T HA 0.294 -11.845 4.350 -27.482 0.000 0.297 17 T C -0.340 174.359 174.700 -0.002 0.000 1.013 17 T CA -0.501 61.603 62.100 0.008 0.000 0.990 17 T CB 0.197 69.067 68.868 0.003 0.000 1.023 17 T HN 0.581 nan 8.240 nan 0.000 0.447 18 N N 2.763 121.462 118.700 -0.001 0.000 2.721 18 N HA -0.213 -11.962 4.740 -27.482 0.000 0.249 18 N C 0.932 176.436 175.510 -0.010 0.000 1.072 18 N CA 1.431 54.477 53.050 -0.006 0.000 0.710 18 N CB -1.597 36.884 38.487 -0.010 0.000 0.993 18 N HN 1.711 nan 8.380 nan 0.000 0.547 19 G N -0.344 108.454 108.800 -0.004 0.000 2.249 19 G HA2 -0.357 -12.886 3.960 -27.482 0.000 0.273 19 G HA3 -0.357 -12.886 3.960 -27.482 0.000 0.273 19 G C 0.025 174.902 174.900 -0.038 0.000 1.036 19 G CA 0.859 45.953 45.100 -0.009 0.000 0.824 19 G HN 0.725 nan 8.290 nan 0.000 0.504 20 R N -0.744 119.735 120.500 -0.035 0.000 2.483 20 R HA 0.634 -11.516 4.340 -27.482 0.000 0.303 20 R C -0.494 175.779 176.300 -0.044 0.000 0.987 20 R CA -0.954 55.114 56.100 -0.055 0.000 0.881 20 R CB 0.551 30.824 30.300 -0.045 0.000 1.177 20 R HN 0.056 nan 8.270 nan 0.000 0.451 21 L N 5.651 126.835 121.223 -0.065 0.000 2.342 21 L HA 0.401 -11.748 4.340 -27.482 0.000 0.285 21 L C -0.506 176.343 176.870 -0.035 0.000 1.095 21 L CA 0.675 55.493 54.840 -0.037 0.000 0.843 21 L CB 0.707 42.739 42.059 -0.045 0.000 1.201 21 L HN 0.648 nan 8.230 nan 0.000 0.445 22 M N 3.669 123.255 119.600 -0.023 0.000 2.181 22 M HA 0.551 -11.458 4.480 -27.482 0.000 0.323 22 M C 0.143 176.426 176.300 -0.028 0.000 1.004 22 M CA -0.633 54.650 55.300 -0.029 0.000 0.941 22 M CB 1.591 34.172 32.600 -0.032 0.000 1.579 22 M HN 0.537 nan 8.290 nan 0.000 0.427 23 A N 3.150 125.954 122.820 -0.027 0.000 2.425 23 A HA 0.273 -11.896 4.320 -27.482 0.000 0.249 23 A C -0.007 177.548 177.584 -0.048 0.000 1.084 23 A CA -0.405 51.614 52.037 -0.030 0.000 0.781 23 A CB 0.212 19.200 19.000 -0.020 0.000 1.019 23 A HN 0.859 nan 8.150 nan 0.000 0.490 24 N N 2.200 120.861 118.700 -0.066 0.000 2.422 24 N HA 0.232 -11.517 4.740 -27.482 0.000 0.264 24 N C -1.990 173.479 175.510 -0.070 0.000 1.063 24 N CA -1.723 51.276 53.050 -0.086 0.000 0.959 24 N CB 1.446 39.852 38.487 -0.135 0.000 1.087 24 N HN 0.213 nan 8.380 nan 0.000 0.483 25 P HA -0.076 nan 4.420 nan 0.000 0.217 25 P C 0.919 178.187 177.300 -0.054 0.000 1.151 25 P CA 0.935 64.004 63.100 -0.051 0.000 0.828 25 P CB 0.437 32.110 31.700 -0.046 0.000 0.788 26 E N 0.332 120.492 120.200 -0.067 0.000 2.110 26 E HA -0.166 -12.305 4.350 -27.482 0.000 0.193 26 E C 1.891 178.447 176.600 -0.072 0.000 0.988 26 E CA 1.479 57.836 56.400 -0.071 0.000 0.804 26 E CB -0.852 28.796 29.700 -0.087 0.000 0.745 26 E HN 0.085 nan 8.360 nan 0.000 0.458 27 A N 0.457 123.226 122.820 -0.085 0.000 1.968 27 A HA -0.018 -12.187 4.320 -27.482 0.000 0.217 27 A C 2.179 179.738 177.584 -0.042 0.000 1.169 27 A CA 0.902 52.894 52.037 -0.075 0.000 0.638 27 A CB -0.455 18.485 19.000 -0.101 0.000 0.812 27 A HN 0.336 nan 8.150 nan 0.000 0.446 28 L N -0.782 120.417 121.223 -0.040 0.000 2.109 28 L HA -0.117 -12.267 4.340 -27.482 0.000 0.207 28 L C 2.389 179.247 176.870 -0.021 0.000 1.086 28 L CA 0.980 55.804 54.840 -0.027 0.000 0.760 28 L CB -0.438 41.603 42.059 -0.030 0.000 0.910 28 L HN 0.250 nan 8.230 nan 0.000 0.437 29 K N 0.387 120.771 120.400 -0.025 0.000 2.148 29 K HA -0.070 -12.239 4.320 -27.482 0.000 0.204 29 K C 2.015 178.608 176.600 -0.011 0.000 1.050 29 K CA 1.152 57.427 56.287 -0.019 0.000 0.942 29 K CB -0.108 32.377 32.500 -0.024 0.000 0.724 29 K HN 0.344 nan 8.250 nan 0.000 0.446 30 I N 0.761 121.324 120.570 -0.011 0.000 2.163 30 I HA -0.273 -12.592 4.170 -27.482 0.000 0.240 30 I C 2.142 178.267 176.117 0.014 0.000 1.081 30 I CA 0.749 62.051 61.300 0.003 0.000 1.353 30 I CB -0.320 37.681 38.000 0.002 0.000 1.054 30 I HN 0.043 nan 8.210 nan 0.000 0.407 31 L N 0.647 121.877 121.223 0.012 0.000 2.013 31 L HA -0.257 -12.406 4.340 -27.482 0.000 0.212 31 L C 2.856 179.733 176.870 0.012 0.000 1.073 31 L CA 2.056 56.907 54.840 0.019 0.000 0.753 31 L CB -1.638 40.431 42.059 0.016 0.000 0.890 31 L HN 0.278 nan 8.230 nan 0.000 0.432 32 S N -0.566 115.136 115.700 0.003 0.000 2.374 32 S HA -0.223 -12.242 4.470 -27.482 0.000 0.227 32 S C 2.109 176.711 174.600 0.003 0.000 1.037 32 S CA 1.464 59.663 58.200 -0.001 0.000 1.024 32 S CB -0.150 63.045 63.200 -0.007 0.000 0.861 32 S HN 0.456 nan 8.310 nan 0.000 0.456 33 A N 0.781 123.605 122.820 0.007 0.000 2.015 33 A HA 0.213 -11.956 4.320 -27.482 0.000 0.219 33 A C 0.983 178.575 177.584 0.014 0.000 1.163 33 A CA 0.659 52.702 52.037 0.010 0.000 0.646 33 A CB -0.622 18.387 19.000 0.015 0.000 0.806 33 A HN 0.627 nan 8.150 nan 0.000 0.448 34 I N 1.261 121.841 120.570 0.017 0.000 2.347 34 I HA 0.075 -12.245 4.170 -27.482 0.000 0.294 34 I C 1.547 177.668 176.117 0.006 0.000 1.090 34 I CA 0.316 61.627 61.300 0.018 0.000 1.314 34 I CB 1.121 39.140 38.000 0.031 0.000 1.423 34 I HN 0.274 nan 8.210 nan 0.000 0.503 35 T N 1.212 115.765 114.554 -0.002 0.000 3.065 35 T HA 0.113 -12.026 4.350 -27.482 0.000 0.252 35 T C 0.767 175.450 174.700 -0.029 0.000 1.099 35 T CA 0.047 62.139 62.100 -0.013 0.000 1.063 35 T CB 0.005 68.866 68.868 -0.012 0.000 0.948 35 T HN 0.557 nan 8.240 nan 0.000 0.506 36 Q N 2.122 121.902 119.800 -0.033 0.000 2.312 36 Q HA 0.381 -11.769 4.340 -27.482 0.000 0.236 36 Q C -2.616 173.330 176.000 -0.090 0.000 0.965 36 Q CA -2.310 53.449 55.803 -0.074 0.000 0.894 36 Q CB 0.514 29.214 28.738 -0.063 0.000 1.225 36 Q HN 0.212 nan 8.270 nan 0.000 0.478 37 P HA -0.026 nan 4.420 nan 0.000 0.269 37 P C -0.993 176.269 177.300 -0.064 0.000 1.215 37 P CA 0.628 63.633 63.100 -0.159 0.000 0.780 37 P CB 0.568 32.062 31.700 -0.343 0.000 0.898 38 M N 0.883 120.492 119.600 0.016 0.000 2.535 38 M HA 0.422 -11.587 4.480 -27.482 0.000 0.314 38 M C -0.971 175.389 176.300 0.100 0.000 1.153 38 M CA -1.044 54.298 55.300 0.071 0.000 0.924 38 M CB 2.293 34.938 32.600 0.075 0.000 1.710 38 M HN -0.095 nan 8.290 nan 0.000 0.451 39 V N 3.436 123.427 119.914 0.127 0.000 2.313 39 V HA 0.322 -12.047 4.120 -27.482 0.000 0.278 39 V C -0.375 175.816 176.094 0.162 0.000 1.017 39 V CA -0.753 61.628 62.300 0.135 0.000 0.823 39 V CB 1.372 33.277 31.823 0.137 0.000 1.010 39 V HN 0.644 nan 8.190 nan 0.000 0.443 40 V N 5.845 125.851 119.914 0.153 0.000 2.364 40 V HA 0.432 -11.937 4.120 -27.482 0.000 0.272 40 V C -0.029 176.176 176.094 0.187 0.000 1.036 40 V CA -0.528 61.872 62.300 0.167 0.000 0.880 40 V CB 1.393 33.310 31.823 0.158 0.000 0.991 40 V HN 0.565 nan 8.190 nan 0.000 0.460 41 V N 4.170 124.201 119.914 0.195 0.000 2.350 41 V HA 0.699 -11.671 4.120 -27.482 0.000 0.285 41 V C 0.440 176.672 176.094 0.229 0.000 1.014 41 V CA -0.622 61.805 62.300 0.211 0.000 0.831 41 V CB 1.465 33.397 31.823 0.180 0.000 1.000 41 V HN 0.953 nan 8.190 nan 0.000 0.433 42 A N 6.633 129.615 122.820 0.270 0.000 2.252 42 A HA 0.736 -11.433 4.320 -27.482 0.000 0.309 42 A C -0.210 177.539 177.584 0.275 0.000 1.285 42 A CA -0.419 51.783 52.037 0.276 0.000 0.900 42 A CB 0.127 19.308 19.000 0.302 0.000 1.157 42 A HN 0.661 nan 8.150 nan 0.000 0.536 43 I N 5.231 125.927 120.570 0.209 0.000 2.269 43 I HA 0.220 -12.099 4.170 -27.482 0.000 0.293 43 I C 0.451 176.625 176.117 0.094 0.000 1.106 43 I CA -0.031 61.357 61.300 0.146 0.000 1.248 43 I CB 0.095 38.176 38.000 0.135 0.000 1.444 43 I HN 0.458 nan 8.210 nan 0.000 0.497 44 V N 4.021 123.978 119.914 0.072 0.000 2.975 44 V HA 1.129 -11.240 4.120 -27.482 0.000 0.318 44 V C 0.147 176.141 176.094 -0.166 0.000 1.077 44 V CA 0.003 62.276 62.300 -0.046 0.000 1.000 44 V CB 1.755 33.531 31.823 -0.078 0.000 1.066 44 V HN 0.925 nan 8.190 nan 0.000 0.452 45 G N 1.550 110.207 108.800 -0.239 0.000 2.352 45 G HA2 0.219 -12.310 3.960 -27.482 0.000 0.283 45 G HA3 0.219 -12.310 3.960 -27.482 0.000 0.283 45 G C -1.440 173.410 174.900 -0.083 0.000 1.308 45 G CA -0.686 44.267 45.100 -0.244 0.000 0.892 45 G HN 0.999 nan 8.290 nan 0.000 0.504 46 L N 0.835 122.037 121.223 -0.034 0.000 2.418 46 L HA 0.458 -11.691 4.340 -27.482 0.000 0.265 46 L C 0.924 177.844 176.870 0.084 0.000 1.143 46 L CA -0.991 53.899 54.840 0.084 0.000 0.809 46 L CB 0.909 43.026 42.059 0.096 0.000 1.124 46 L HN 0.765 nan 8.230 nan 0.000 0.456 47 Y N 0.828 121.117 120.300 -0.019 0.000 2.578 47 Y HA 0.205 -11.735 4.550 -27.483 0.000 0.339 47 Y C 0.610 176.492 175.900 -0.030 0.000 1.231 47 Y CA -1.034 57.048 58.100 -0.029 0.000 1.461 47 Y CB 0.297 38.744 38.460 -0.022 0.000 1.323 47 Y HN 0.554 nan 8.280 nan 0.000 0.590 48 R N 1.016 121.366 120.500 -0.249 0.000 3.332 48 R HA -0.152 -12.301 4.340 -27.482 0.000 0.263 48 R C -0.032 176.127 176.300 -0.235 0.000 1.053 48 R CA 0.936 56.849 56.100 -0.312 0.000 0.705 48 R CB -2.182 27.808 30.300 -0.517 0.000 1.166 48 R HN 1.010 nan 8.270 nan 0.000 0.427 49 T N -4.549 109.921 114.554 -0.140 0.000 3.043 49 T HA 0.378 -11.761 4.350 -27.482 0.000 0.272 49 T C 1.118 175.800 174.700 -0.029 0.000 0.990 49 T CA 0.417 62.466 62.100 -0.085 0.000 0.897 49 T CB 1.495 70.315 68.868 -0.080 0.000 1.111 49 T HN 0.731 nan 8.240 nan 0.000 0.529 50 G N 2.130 110.905 108.800 -0.040 0.000 2.134 50 G HA2 -0.261 -12.790 3.960 -27.482 0.000 0.209 50 G HA3 -0.261 -12.790 3.960 -27.482 0.000 0.209 50 G C 0.766 175.712 174.900 0.076 0.000 0.993 50 G CA 0.265 45.371 45.100 0.010 0.000 0.669 50 G HN 0.511 nan 8.290 nan 0.000 0.519 51 K N 0.491 120.908 120.400 0.029 0.000 2.063 51 K HA -0.066 -12.236 4.320 -27.482 0.000 0.208 51 K C 2.683 179.330 176.600 0.079 0.000 1.048 51 K CA 1.533 57.846 56.287 0.044 0.000 0.928 51 K CB -0.304 32.205 32.500 0.015 0.000 0.713 51 K HN 0.364 nan 8.250 nan 0.000 0.442 52 S N 0.576 116.309 115.700 0.055 0.000 2.387 52 S HA -0.247 -12.266 4.470 -27.482 0.000 0.230 52 S C 1.925 176.603 174.600 0.130 0.000 1.035 52 S CA 1.279 59.523 58.200 0.074 0.000 1.014 52 S CB -0.369 62.836 63.200 0.009 0.000 0.836 52 S HN 0.398 nan 8.310 nan 0.000 0.466 53 Y N 1.824 122.137 120.300 0.021 0.000 2.181 53 Y HA -0.015 -11.955 4.550 -27.483 0.000 0.288 53 Y C 1.929 177.875 175.900 0.078 0.000 1.146 53 Y CA 1.661 59.815 58.100 0.089 0.000 1.164 53 Y CB -0.399 38.187 38.460 0.210 0.000 0.982 53 Y HN 0.271 nan 8.280 nan 0.000 0.515 54 L N -1.044 120.228 121.223 0.081 0.000 2.046 54 L HA -0.281 -12.431 4.340 -27.482 0.000 0.208 54 L C 2.580 179.467 176.870 0.028 0.000 1.077 54 L CA 1.203 56.066 54.840 0.038 0.000 0.747 54 L CB -0.605 41.507 42.059 0.088 0.000 0.896 54 L HN 0.293 nan 8.230 nan 0.000 0.432 55 M N -0.214 119.420 119.600 0.057 0.000 2.059 55 M HA -0.218 -12.227 4.480 -27.482 0.000 0.259 55 M C 2.090 178.326 176.300 -0.106 0.000 1.072 55 M CA 1.873 57.211 55.300 0.063 0.000 1.117 55 M CB -0.954 31.764 32.600 0.197 0.000 1.320 55 M HN 0.387 nan 8.290 nan 0.000 0.408 56 N N -0.174 118.478 118.700 -0.080 0.000 2.084 56 N HA -0.190 -11.939 4.740 -27.482 0.000 0.190 56 N C 1.684 177.017 175.510 -0.294 0.000 1.030 56 N CA 1.177 54.112 53.050 -0.191 0.000 0.849 56 N CB -0.082 38.410 38.487 0.008 0.000 1.012 56 N HN 0.136 nan 8.380 nan 0.000 0.423 57 K N 0.924 121.126 120.400 -0.329 0.000 2.097 57 K HA -0.031 -12.201 4.320 -27.482 0.000 0.206 57 K C 1.743 178.252 176.600 -0.150 0.000 1.049 57 K CA 0.610 56.709 56.287 -0.313 0.000 0.933 57 K CB -0.238 31.974 32.500 -0.482 0.000 0.717 57 K HN 0.021 nan 8.250 nan 0.000 0.442 58 L N -0.220 120.929 121.223 -0.122 0.000 2.179 58 L HA 0.091 -12.058 4.340 -27.482 0.000 0.208 58 L C 1.846 178.659 176.870 -0.095 0.000 1.096 58 L CA 1.607 56.450 54.840 0.004 0.000 0.779 58 L CB -1.019 41.043 42.059 0.005 0.000 0.922 58 L HN 0.143 nan 8.230 nan 0.000 0.443 59 A N -1.388 121.198 122.820 -0.390 0.000 2.209 59 A HA 0.309 -11.860 4.320 -27.482 0.000 0.212 59 A C 1.840 179.147 177.584 -0.462 0.000 1.158 59 A CA 1.000 52.624 52.037 -0.688 0.000 0.742 59 A CB -0.621 17.351 19.000 -1.713 0.000 0.790 59 A HN 0.583 nan 8.150 nan 0.000 0.472 60 G N -1.008 107.617 108.800 -0.291 0.000 2.195 60 G HA2 -0.278 -12.807 3.960 -27.482 0.000 0.246 60 G HA3 -0.278 -12.807 3.960 -27.482 0.000 0.246 60 G C 0.324 175.136 174.900 -0.146 0.000 0.984 60 G CA 0.413 45.397 45.100 -0.193 0.000 0.633 60 G HN 0.660 nan 8.290 nan 0.000 0.525 61 K N 1.123 121.418 120.400 -0.176 0.000 2.484 61 K HA 0.205 -11.965 4.320 -27.482 0.000 0.280 61 K C 2.037 178.617 176.600 -0.034 0.000 1.013 61 K CA 0.443 56.694 56.287 -0.060 0.000 1.029 61 K CB 0.486 32.988 32.500 0.003 0.000 0.902 61 K HN 0.245 nan 8.250 nan 0.000 0.481 62 K N 4.019 124.424 120.400 0.009 0.000 2.116 62 K HA -0.086 -12.255 4.320 -27.482 0.000 0.203 62 K C 0.338 176.975 176.600 0.061 0.000 1.052 62 K CA 1.317 57.617 56.287 0.021 0.000 0.952 62 K CB 0.104 32.617 32.500 0.022 0.000 0.729 62 K HN 0.304 nan 8.250 nan 0.000 0.446 63 K N 1.143 121.594 120.400 0.084 0.000 2.360 63 K HA 0.259 -11.911 4.320 -27.482 0.000 0.235 63 K C -0.768 175.925 176.600 0.155 0.000 1.077 63 K CA -0.098 56.260 56.287 0.118 0.000 1.035 63 K CB 0.390 32.948 32.500 0.096 0.000 1.623 63 K HN 0.360 nan 8.250 nan 0.000 0.462 64 G N 3.439 112.366 108.800 0.211 0.000 4.917 64 G HA2 0.180 -12.349 3.960 -27.482 0.000 0.244 64 G HA3 0.180 -12.349 3.960 -27.482 0.000 0.244 64 G C -1.329 173.835 174.900 0.440 0.000 1.072 64 G CA -0.256 44.983 45.100 0.232 0.000 0.850 64 G HN 0.453 nan 8.290 nan 0.000 0.559 65 F N 3.345 123.453 119.950 0.263 0.000 2.691 65 F HA 0.472 -11.490 4.527 -27.482 0.000 0.371 65 F C 0.601 176.428 175.800 0.046 0.000 1.159 65 F CA -1.150 56.986 58.000 0.225 0.000 1.174 65 F CB 0.959 40.021 39.000 0.103 0.000 1.419 65 F HN 0.159 nan 8.300 nan 0.000 0.514 66 S N 4.657 120.283 115.700 -0.123 0.000 2.593 66 S HA 0.536 -11.483 4.470 -27.482 0.000 0.269 66 S C -0.747 173.709 174.600 -0.241 0.000 1.334 66 S CA -0.665 57.464 58.200 -0.119 0.000 1.015 66 S CB 1.405 64.547 63.200 -0.097 0.000 0.912 66 S HN 0.494 nan 8.310 nan 0.000 0.541 67 L N 2.036 123.187 121.223 -0.120 0.000 2.388 67 L HA 0.509 -11.640 4.340 -27.482 0.000 0.267 67 L C 0.781 177.607 176.870 -0.072 0.000 0.995 67 L CA 0.592 55.366 54.840 -0.109 0.000 0.864 67 L CB -0.035 41.990 42.059 -0.056 0.000 1.216 67 L HN 1.299 nan 8.230 nan 0.000 0.430 68 G N 2.492 111.240 108.800 -0.088 0.000 2.883 68 G HA2 -0.216 -12.745 3.960 -27.482 0.000 0.219 68 G HA3 -0.216 -12.745 3.960 -27.482 0.000 0.219 68 G C 0.225 175.094 174.900 -0.052 0.000 0.908 68 G CA -0.000 45.065 45.100 -0.057 0.000 0.978 68 G HN 0.558 nan 8.290 nan 0.000 0.365 69 S N 1.936 117.600 115.700 -0.060 0.000 3.965 69 S HA 0.404 -11.616 4.470 -27.482 0.000 0.195 69 S C 1.316 175.899 174.600 -0.029 0.000 1.449 69 S CA 0.222 58.391 58.200 -0.052 0.000 0.965 69 S CB -0.103 63.051 63.200 -0.075 0.000 1.459 69 S HN 0.857 nan 8.310 nan 0.000 0.476 70 T N 1.729 116.272 114.554 -0.018 0.000 2.937 70 T HA 0.042 -12.097 4.350 -27.482 0.000 0.316 70 T C 1.811 176.510 174.700 -0.002 0.000 1.079 70 T CA -0.348 61.750 62.100 -0.003 0.000 1.131 70 T CB 0.841 69.709 68.868 -0.000 0.000 1.000 70 T HN 0.196 nan 8.240 nan 0.000 0.549 71 V N 1.925 121.843 119.914 0.007 0.000 2.227 71 V HA -0.046 -12.415 4.120 -27.482 0.000 0.238 71 V C 1.321 177.418 176.094 0.005 0.000 1.039 71 V CA 1.281 63.585 62.300 0.006 0.000 0.990 71 V CB -0.596 31.233 31.823 0.010 0.000 0.635 71 V HN 0.939 nan 8.190 nan 0.000 0.453 77 G N 3.266 112.203 108.800 0.228 0.000 2.286 77 G HA2 0.097 -12.432 3.960 -27.482 0.000 0.118 77 G HA3 0.097 -12.432 3.960 -27.482 0.000 0.118 77 G C -1.561 173.490 174.900 0.253 0.000 1.267 77 G CA -0.572 44.651 45.100 0.204 0.000 1.171 77 G HN 0.426 nan 8.290 nan 0.000 0.465 78 I N 0.529 121.236 120.570 0.229 0.000 2.410 78 I HA 0.454 -11.865 4.170 -27.482 0.000 0.286 78 I C -0.883 175.381 176.117 0.246 0.000 1.009 78 I CA -0.402 61.044 61.300 0.242 0.000 1.111 78 I CB 1.484 39.585 38.000 0.168 0.000 1.262 78 I HN 0.400 nan 8.210 nan 0.000 0.443 79 W N 7.295 128.639 121.300 0.073 0.000 2.448 79 W HA 0.611 -11.220 4.660 -27.484 0.000 0.339 79 W C 0.182 176.760 176.519 0.100 0.000 1.124 79 W CA -0.623 56.761 57.345 0.066 0.000 1.262 79 W CB 1.216 30.707 29.460 0.052 0.000 1.251 79 W HN 0.292 nan 8.180 nan 0.000 0.597 80 M N 1.679 121.429 119.600 0.250 0.000 2.662 80 M HA 0.648 -11.361 4.480 -27.482 0.000 0.310 80 M C -1.637 174.846 176.300 0.306 0.000 1.204 80 M CA -0.664 54.778 55.300 0.238 0.000 0.891 80 M CB 3.096 35.777 32.600 0.135 0.000 1.732 80 M HN 0.485 nan 8.290 nan 0.000 0.467 81 W N 3.201 124.582 121.300 0.136 0.000 2.740 81 W HA 0.524 -11.306 4.660 -27.483 0.000 0.316 81 W C -2.288 174.290 176.519 0.098 0.000 1.020 81 W CA -1.302 56.114 57.345 0.119 0.000 1.278 81 W CB 1.679 31.214 29.460 0.126 0.000 1.224 81 W HN 0.832 nan 8.180 nan 0.000 0.393 82 C N 6.071 125.638 119.300 0.446 0.000 2.225 82 C HA 0.599 -11.430 4.460 -27.482 0.000 0.328 82 C C 0.817 175.962 174.990 0.259 0.000 1.187 82 C CA -0.488 58.693 59.018 0.272 0.000 1.665 82 C CB -0.954 26.897 27.740 0.185 0.000 2.253 82 C HN 0.305 nan 8.230 nan 0.000 0.497 83 V N 2.239 122.234 119.914 0.134 0.000 3.019 83 V HA 0.754 -11.615 4.120 -27.482 0.000 0.317 83 V C -2.922 173.189 176.094 0.028 0.000 1.094 83 V CA -2.834 59.496 62.300 0.050 0.000 1.000 83 V CB 1.324 33.086 31.823 -0.102 0.000 1.060 83 V HN 0.495 nan 8.190 nan 0.000 0.443 84 P HA 0.127 nan 4.420 nan 0.000 0.269 84 P C -0.586 176.694 177.300 -0.033 0.000 1.209 84 P CA 0.184 63.290 63.100 0.010 0.000 0.776 84 P CB 0.051 31.744 31.700 -0.013 0.000 0.876 85 H N 5.568 124.603 119.070 -0.059 0.000 2.899 85 H HA 0.052 -11.881 4.556 -27.483 0.000 0.303 85 H C -1.253 173.952 175.328 -0.205 0.000 1.042 85 H CA -1.344 54.633 56.048 -0.118 0.000 1.479 85 H CB 0.759 30.501 29.762 -0.032 0.000 1.493 85 H HN 0.297 nan 8.280 nan 0.000 0.534 86 P HA -0.021 nan 4.420 nan 0.000 0.234 86 P C 0.314 177.421 177.300 -0.323 0.000 1.167 86 P CA 0.924 63.704 63.100 -0.533 0.000 0.763 86 P CB 0.418 31.545 31.700 -0.955 0.000 0.835 87 K N -0.917 119.402 120.400 -0.135 0.000 2.517 87 K HA 0.205 -11.964 4.320 -27.482 0.000 0.210 87 K C 0.249 176.918 176.600 0.115 0.000 1.166 87 K CA -0.016 56.293 56.287 0.037 0.000 1.030 87 K CB 1.052 33.602 32.500 0.084 0.000 0.974 87 K HN -0.004 nan 8.250 nan 0.000 0.585 88 K N 2.483 123.009 120.400 0.210 0.000 2.646 88 K HA 0.238 -11.931 4.320 -27.482 0.000 0.210 88 K C -2.860 173.781 176.600 0.069 0.000 1.020 88 K CA -1.706 54.567 56.287 -0.024 0.000 1.040 88 K CB 1.895 34.147 32.500 -0.413 0.000 1.253 88 K HN -0.102 nan 8.250 nan 0.000 0.532 89 P HA -0.041 nan 4.420 nan 0.000 0.268 89 P C 0.761 178.154 177.300 0.155 0.000 1.204 89 P CA 0.885 64.032 63.100 0.079 0.000 0.768 89 P CB 0.943 32.667 31.700 0.040 0.000 0.842 90 G N 1.438 110.309 108.800 0.119 0.000 2.179 90 G HA2 -0.202 -12.732 3.960 -27.482 0.000 0.260 90 G HA3 -0.202 -12.732 3.960 -27.482 0.000 0.260 90 G C -0.099 174.817 174.900 0.027 0.000 0.977 90 G CA 0.097 45.245 45.100 0.081 0.000 0.641 90 G HN 0.694 nan 8.290 nan 0.000 0.533 91 H N -0.387 118.681 119.070 -0.003 0.000 2.524 91 H HA 0.722 -11.212 4.556 -27.483 0.000 0.353 91 H C 0.225 175.577 175.328 0.041 0.000 1.136 91 H CA -0.752 55.290 56.048 -0.010 0.000 1.193 91 H CB 1.309 31.018 29.762 -0.089 0.000 1.558 91 H HN 0.119 nan 8.280 nan 0.000 0.515 92 I N 2.644 123.294 120.570 0.133 0.000 2.525 92 I HA 0.198 -12.122 4.170 -27.482 0.000 0.301 92 I C -0.289 175.935 176.117 0.179 0.000 0.992 92 I CA -0.629 60.749 61.300 0.130 0.000 1.162 92 I CB 1.829 39.879 38.000 0.082 0.000 1.332 92 I HN 0.408 nan 8.210 nan 0.000 0.458 93 L N 5.979 127.308 121.223 0.175 0.000 2.276 93 L HA 0.414 -11.735 4.340 -27.482 0.000 0.286 93 L C -0.844 176.115 176.870 0.150 0.000 1.024 93 L CA -0.561 54.397 54.840 0.196 0.000 0.826 93 L CB 1.380 43.524 42.059 0.141 0.000 1.211 93 L HN 0.246 nan 8.230 nan 0.000 0.422 94 V N 6.366 126.377 119.914 0.162 0.000 2.407 94 V HA 0.337 -12.033 4.120 -27.482 0.000 0.278 94 V C 0.143 176.347 176.094 0.184 0.000 1.037 94 V CA -0.362 62.038 62.300 0.168 0.000 0.900 94 V CB 1.572 33.484 31.823 0.150 0.000 0.983 94 V HN 0.569 nan 8.190 nan 0.000 0.459 95 L N 6.428 127.780 121.223 0.214 0.000 2.313 95 L HA 0.593 -11.556 4.340 -27.482 0.000 0.283 95 L C -0.545 176.480 176.870 0.259 0.000 1.013 95 L CA -0.230 54.746 54.840 0.226 0.000 0.816 95 L CB 1.493 43.681 42.059 0.214 0.000 1.236 95 L HN 0.417 nan 8.230 nan 0.000 0.419 96 L N 2.907 124.271 121.223 0.234 0.000 2.342 96 L HA 0.612 -11.537 4.340 -27.482 0.000 0.271 96 L C -0.825 176.184 176.870 0.231 0.000 1.008 96 L CA -0.566 54.414 54.840 0.234 0.000 0.818 96 L CB 2.158 44.341 42.059 0.206 0.000 1.296 96 L HN 0.546 nan 8.230 nan 0.000 0.427 97 D N 1.095 121.640 120.400 0.242 0.000 2.863 97 D HA 0.173 -11.676 4.640 -27.482 0.000 0.245 97 D C -0.720 175.692 176.300 0.186 0.000 1.211 97 D CA -0.260 53.860 54.000 0.199 0.000 0.888 97 D CB 2.426 43.348 40.800 0.202 0.000 1.483 97 D HN 0.556 nan 8.370 nan 0.000 0.533 98 T N 1.235 115.859 114.554 0.117 0.000 2.863 98 T HA 0.288 -11.851 4.350 -27.482 0.000 0.299 98 T C 0.255 175.005 174.700 0.083 0.000 0.973 98 T CA -0.709 61.449 62.100 0.096 0.000 0.994 98 T CB 0.812 69.684 68.868 0.006 0.000 0.961 98 T HN 0.172 nan 8.240 nan 0.000 0.552 99 E N 1.873 122.147 120.200 0.123 0.000 2.283 99 E HA 0.430 -11.709 4.350 -27.482 0.000 0.278 99 E C 1.330 177.971 176.600 0.069 0.000 1.027 99 E CA 0.500 56.937 56.400 0.062 0.000 0.843 99 E CB 1.278 30.984 29.700 0.010 0.000 1.062 99 E HN 1.016 nan 8.360 nan 0.000 0.401 100 G N 2.561 111.384 108.800 0.038 0.000 2.179 100 G HA2 -0.288 -12.817 3.960 -27.482 0.000 0.260 100 G HA3 -0.288 -12.817 3.960 -27.482 0.000 0.260 100 G C 0.158 175.029 174.900 -0.048 0.000 0.977 100 G CA -0.079 45.006 45.100 -0.026 0.000 0.641 100 G HN 0.398 nan 8.290 nan 0.000 0.533 101 L N 1.387 122.638 121.223 0.046 0.000 2.698 101 L HA 0.448 -11.702 4.340 -27.482 0.000 0.272 101 L C 1.700 178.616 176.870 0.076 0.000 1.154 101 L CA 1.946 56.829 54.840 0.072 0.000 0.964 101 L CB -0.026 42.089 42.059 0.093 0.000 1.272 101 L HN 1.407 nan 8.230 nan 0.000 0.483 102 G N 2.496 111.301 108.800 0.008 0.000 2.246 102 G HA2 -0.340 -12.870 3.960 -27.482 0.000 0.273 102 G HA3 -0.340 -12.870 3.960 -27.482 0.000 0.273 102 G C 0.773 175.530 174.900 -0.237 0.000 1.055 102 G CA 0.554 45.654 45.100 -0.001 0.000 0.851 102 G HN 0.680 nan 8.290 nan 0.000 0.500 103 D N -0.655 119.397 120.400 -0.580 0.000 2.113 103 D HA 0.019 -11.830 4.640 -27.482 0.000 0.206 103 D C 2.441 178.421 176.300 -0.534 0.000 0.979 103 D CA 1.690 54.950 54.000 -1.235 0.000 0.862 103 D CB -0.209 40.028 40.800 -0.938 0.000 1.013 103 D HN 0.366 nan 8.370 nan 0.000 0.455 104 V N 0.125 119.874 119.914 -0.275 0.000 2.951 104 V HA 0.040 -12.329 4.120 -27.482 0.000 0.255 104 V C 1.285 177.339 176.094 -0.067 0.000 1.088 104 V CA 0.489 62.714 62.300 -0.124 0.000 1.109 104 V CB -0.479 31.296 31.823 -0.080 0.000 0.724 104 V HN 0.204 nan 8.190 nan 0.000 0.471 110 Q N 1.621 121.487 119.800 0.111 0.000 2.388 110 Q HA 0.164 -11.986 4.340 -27.482 0.000 0.246 110 Q C -0.156 175.979 176.000 0.224 0.000 1.246 110 Q CA 0.372 56.249 55.803 0.123 0.000 0.895 110 Q CB -0.364 28.426 28.738 0.086 0.000 1.510 110 Q HN 0.299 nan 8.270 nan 0.000 0.503 111 N N 3.159 121.993 118.700 0.223 0.000 2.471 111 N HA -0.059 -11.808 4.740 -27.482 0.000 0.205 111 N C -0.313 175.398 175.510 0.335 0.000 1.251 111 N CA 0.274 53.539 53.050 0.358 0.000 0.843 111 N CB 0.370 38.963 38.487 0.177 0.000 1.044 111 N HN 0.568 nan 8.380 nan 0.000 0.461 112 D N 0.309 120.856 120.400 0.244 0.000 2.097 112 D HA -0.115 -11.964 4.640 -27.482 0.000 0.197 112 D C 1.879 178.337 176.300 0.262 0.000 0.984 112 D CA 1.420 55.549 54.000 0.215 0.000 0.826 112 D CB 0.010 40.907 40.800 0.161 0.000 0.973 112 D HN 0.230 nan 8.370 nan 0.000 0.460 113 S N -0.377 115.418 115.700 0.159 0.000 2.382 113 S HA -0.194 -12.213 4.470 -27.482 0.000 0.228 113 S C 1.909 176.525 174.600 0.026 0.000 1.027 113 S CA 0.804 59.023 58.200 0.032 0.000 0.991 113 S CB -1.003 62.086 63.200 -0.185 0.000 0.823 113 S HN 0.411 nan 8.310 nan 0.000 0.469 114 W N 1.718 123.098 121.300 0.134 0.000 2.379 114 W HA 0.189 -11.633 4.660 -27.470 0.000 0.307 114 W C 2.270 178.859 176.519 0.117 0.000 1.200 114 W CA 0.041 57.444 57.345 0.097 0.000 1.297 114 W CB -0.659 28.842 29.460 0.068 0.000 1.140 114 W HN 0.191 nan 8.180 nan 0.000 0.507 115 I N -0.879 119.912 120.570 0.368 0.000 2.163 115 I HA -0.352 -12.671 4.170 -27.482 0.000 0.243 115 I C 2.367 178.646 176.117 0.269 0.000 1.085 115 I CA 1.314 62.774 61.300 0.266 0.000 1.347 115 I CB -0.751 37.380 38.000 0.218 0.000 1.044 115 I HN -0.101 nan 8.210 nan 0.000 0.408 116 F N 1.667 121.692 119.950 0.125 0.000 2.091 116 F HA -0.329 -12.285 4.527 -27.471 0.000 0.299 116 F C 2.490 178.295 175.800 0.007 0.000 1.103 116 F CA 1.495 59.552 58.000 0.094 0.000 1.228 116 F CB -0.815 38.237 39.000 0.087 0.000 0.984 116 F HN 0.053 nan 8.300 nan 0.000 0.477 117 A N 0.023 122.984 122.820 0.235 0.000 1.877 117 A HA -0.145 -12.314 4.320 -27.482 0.000 0.216 117 A C 2.332 179.913 177.584 -0.005 0.000 1.186 117 A CA 1.733 53.781 52.037 0.017 0.000 0.620 117 A CB -1.193 17.755 19.000 -0.088 0.000 0.822 117 A HN 0.427 nan 8.150 nan 0.000 0.443 118 L N -0.521 120.749 121.223 0.078 0.000 2.042 118 L HA -0.236 -12.385 4.340 -27.482 0.000 0.210 118 L C 3.091 180.010 176.870 0.081 0.000 1.076 118 L CA 1.225 56.107 54.840 0.070 0.000 0.749 118 L CB -0.593 41.556 42.059 0.151 0.000 0.893 118 L HN 0.438 nan 8.230 nan 0.000 0.432 119 A N -0.226 122.666 122.820 0.121 0.000 1.859 119 A HA -0.203 -12.372 4.320 -27.482 0.000 0.217 119 A C 2.346 179.980 177.584 0.083 0.000 1.198 119 A CA 2.272 54.390 52.037 0.136 0.000 0.629 119 A CB -1.077 18.024 19.000 0.168 0.000 0.830 119 A HN 0.182 nan 8.150 nan 0.000 0.446 120 V N 0.033 119.932 119.914 -0.025 0.000 2.332 120 V HA -0.293 -12.662 4.120 -27.482 0.000 0.248 120 V C 2.586 178.576 176.094 -0.174 0.000 1.055 120 V CA 2.065 64.244 62.300 -0.201 0.000 1.038 120 V CB -0.921 30.646 31.823 -0.426 0.000 0.651 120 V HN 0.551 nan 8.190 nan 0.000 0.450 121 L N -0.661 120.448 121.223 -0.189 0.000 1.955 121 L HA -0.215 -12.364 4.340 -27.482 0.000 0.213 121 L C 2.377 179.256 176.870 0.015 0.000 1.072 121 L CA 1.843 56.553 54.840 -0.216 0.000 0.755 121 L CB -0.576 41.206 42.059 -0.461 0.000 0.888 121 L HN 0.268 nan 8.230 nan 0.000 0.432 122 L N -0.565 120.725 121.223 0.111 0.000 2.275 122 L HA -0.067 -12.217 4.340 -27.482 0.000 0.215 122 L C 1.427 178.391 176.870 0.157 0.000 1.119 122 L CA 0.035 54.988 54.840 0.188 0.000 0.790 122 L CB -0.666 41.507 42.059 0.190 0.000 0.919 122 L HN 0.326 nan 8.230 nan 0.000 0.443 123 S N -1.576 114.208 115.700 0.139 0.000 2.601 123 S HA 0.159 -11.861 4.470 -27.482 0.000 0.271 123 S C 1.044 175.745 174.600 0.169 0.000 1.305 123 S CA -0.136 58.166 58.200 0.171 0.000 1.022 123 S CB 1.811 65.142 63.200 0.219 0.000 0.940 123 S HN 0.172 nan 8.310 nan 0.000 0.525 124 S N 1.312 117.119 115.700 0.180 0.000 2.475 124 S HA 0.183 -11.837 4.470 -27.482 0.000 0.224 124 S C 0.523 175.250 174.600 0.212 0.000 1.042 124 S CA 0.221 58.523 58.200 0.172 0.000 0.935 124 S CB -0.143 63.142 63.200 0.141 0.000 0.801 124 S HN 0.784 nan 8.310 nan 0.000 0.509 125 T N 1.999 116.698 114.554 0.243 0.000 2.876 125 T HA 0.576 -11.563 4.350 -27.482 0.000 0.289 125 T C -2.006 172.935 174.700 0.401 0.000 1.014 125 T CA -0.434 61.845 62.100 0.299 0.000 0.986 125 T CB 1.368 70.371 68.868 0.225 0.000 1.021 125 T HN 0.257 nan 8.240 nan 0.000 0.458 126 F N 4.204 124.319 119.950 0.275 0.000 2.427 126 F HA 0.675 -11.289 4.527 -27.485 0.000 0.348 126 F C -1.221 174.711 175.800 0.220 0.000 1.125 126 F CA -1.473 56.700 58.000 0.288 0.000 0.989 126 F CB 0.770 40.012 39.000 0.403 0.000 1.165 126 F HN 0.225 nan 8.300 nan 0.000 0.442 127 V N 8.005 127.919 119.914 -0.000 0.000 2.326 127 V HA 0.189 -12.180 4.120 -27.482 0.000 0.281 127 V C -1.078 174.827 176.094 -0.315 0.000 1.015 127 V CA -0.826 61.365 62.300 -0.181 0.000 0.823 127 V CB 0.789 32.692 31.823 0.133 0.000 1.009 127 V HN 0.637 nan 8.190 nan 0.000 0.436 128 Y N 4.881 124.717 120.300 -0.775 0.000 2.350 128 Y HA 0.511 -11.421 4.550 -27.470 0.000 0.340 128 Y C 0.141 175.816 175.900 -0.375 0.000 1.006 128 Y CA -0.740 56.992 58.100 -0.614 0.000 1.166 128 Y CB 1.179 39.132 38.460 -0.846 0.000 1.168 128 Y HN 0.714 nan 8.280 nan 0.000 0.502 129 N N 3.469 121.795 118.700 -0.623 0.000 2.417 129 N HA 0.522 -11.227 4.740 -27.482 0.000 0.274 129 N C -1.635 173.614 175.510 -0.434 0.000 0.987 129 N CA -0.242 52.584 53.050 -0.374 0.000 0.912 129 N CB 0.959 39.326 38.487 -0.200 0.000 1.177 129 N HN 0.602 nan 8.380 nan 0.000 0.490 130 S N 2.565 118.163 115.700 -0.169 0.000 2.588 130 S HA 0.603 -11.416 4.470 -27.482 0.000 0.275 130 S C -0.729 173.883 174.600 0.019 0.000 1.130 130 S CA -0.904 57.257 58.200 -0.066 0.000 0.855 130 S CB 0.724 63.974 63.200 0.083 0.000 1.116 130 S HN 0.378 nan 8.310 nan 0.000 0.472 131 I N 2.061 122.641 120.570 0.016 0.000 2.566 131 I HA 0.631 -11.688 4.170 -27.482 0.000 0.303 131 I C 1.244 177.365 176.117 0.006 0.000 0.983 131 I CA 0.406 61.719 61.300 0.023 0.000 1.235 131 I CB 0.961 38.970 38.000 0.015 0.000 1.386 131 I HN 1.292 nan 8.210 nan 0.000 0.494 132 G N 3.340 112.148 108.800 0.014 0.000 2.645 132 G HA2 -0.234 -12.764 3.960 -27.482 0.000 0.239 132 G HA3 -0.234 -12.764 3.960 -27.482 0.000 0.239 132 G C -0.057 174.617 174.900 -0.377 0.000 1.331 132 G CA -0.170 44.916 45.100 -0.024 0.000 0.890 132 G HN 0.711 nan 8.290 nan 0.000 0.572 133 T N -0.103 114.227 114.554 -0.373 0.000 2.868 133 T HA 0.483 -11.657 4.350 -27.482 0.000 0.292 133 T C 1.232 175.769 174.700 -0.271 0.000 1.028 133 T CA -0.151 61.637 62.100 -0.519 0.000 1.059 133 T CB 0.019 68.789 68.868 -0.164 0.000 0.991 133 T HN 0.629 nan 8.240 nan 0.000 0.531 134 I N 5.358 125.747 120.570 -0.301 0.000 2.664 134 I HA 0.063 -12.256 4.170 -27.482 0.000 0.284 134 I C 0.474 176.535 176.117 -0.093 0.000 1.154 134 I CA -0.213 60.925 61.300 -0.271 0.000 1.402 134 I CB -0.109 37.553 38.000 -0.563 0.000 1.395 134 I HN 0.640 nan 8.210 nan 0.000 0.545 135 N N 5.342 124.063 118.700 0.035 0.000 2.404 135 N HA 0.163 -11.586 4.740 -27.482 0.000 0.297 135 N C 0.273 175.818 175.510 0.060 0.000 1.163 135 N CA -0.877 52.203 53.050 0.050 0.000 0.864 135 N CB 0.856 39.386 38.487 0.072 0.000 1.247 135 N HN 0.349 nan 8.380 nan 0.000 0.510 136 Q N 0.165 119.971 119.800 0.011 0.000 2.112 136 Q HA -0.258 -12.407 4.340 -27.482 0.000 0.206 136 Q C 1.686 177.694 176.000 0.014 0.000 0.987 136 Q CA 1.896 57.668 55.803 -0.051 0.000 0.858 136 Q CB -0.333 28.383 28.738 -0.036 0.000 0.905 136 Q HN 0.807 nan 8.270 nan 0.000 0.420 137 Q N -1.076 118.763 119.800 0.066 0.000 2.112 137 Q HA -0.232 -12.381 4.340 -27.482 0.000 0.206 137 Q C 1.752 177.827 176.000 0.127 0.000 0.987 137 Q CA 1.832 57.688 55.803 0.089 0.000 0.858 137 Q CB -0.273 28.527 28.738 0.104 0.000 0.905 137 Q HN 0.472 nan 8.270 nan 0.000 0.420 138 A N 0.572 123.511 122.820 0.199 0.000 1.898 138 A HA -0.148 -12.317 4.320 -27.482 0.000 0.216 138 A C 2.061 179.694 177.584 0.081 0.000 1.181 138 A CA 1.409 53.609 52.037 0.272 0.000 0.620 138 A CB -0.388 18.961 19.000 0.581 0.000 0.819 138 A HN 0.403 nan 8.150 nan 0.000 0.442 139 M N 0.071 119.724 119.600 0.089 0.000 2.117 139 M HA -0.128 -12.137 4.480 -27.482 0.000 0.262 139 M C 1.383 177.673 176.300 -0.016 0.000 1.065 139 M CA 1.405 56.702 55.300 -0.005 0.000 1.114 139 M CB -1.453 31.097 32.600 -0.083 0.000 1.361 139 M HN 0.332 nan 8.290 nan 0.000 0.408 140 D N 0.531 120.938 120.400 0.011 0.000 2.117 140 D HA -0.162 -12.011 4.640 -27.482 0.000 0.198 140 D C 2.149 178.502 176.300 0.089 0.000 0.982 140 D CA 1.331 55.377 54.000 0.076 0.000 0.828 140 D CB -0.271 40.562 40.800 0.055 0.000 0.967 140 D HN 0.613 nan 8.370 nan 0.000 0.464 141 Q N -0.078 119.723 119.800 0.002 0.000 2.172 141 Q HA -0.063 -12.212 4.340 -27.482 0.000 0.200 141 Q C 2.077 177.931 176.000 -0.245 0.000 0.964 141 Q CA 0.639 56.388 55.803 -0.090 0.000 0.855 141 Q CB -0.365 28.345 28.738 -0.047 0.000 0.918 141 Q HN 0.122 nan 8.270 nan 0.000 0.444 142 L N 0.164 121.243 121.223 -0.241 0.000 2.083 142 L HA -0.119 -12.268 4.340 -27.482 0.000 0.209 142 L C 2.297 179.116 176.870 -0.085 0.000 1.083 142 L CA 1.735 56.399 54.840 -0.294 0.000 0.752 142 L CB -0.680 41.149 42.059 -0.384 0.000 0.899 142 L HN 0.357 nan 8.230 nan 0.000 0.433 143 Y N -2.154 118.065 120.300 -0.135 0.000 2.163 143 Y HA -0.370 -12.332 4.550 -27.520 0.000 0.288 143 Y C 2.570 178.406 175.900 -0.107 0.000 1.136 143 Y CA 1.727 59.774 58.100 -0.089 0.000 1.147 143 Y CB -0.261 38.163 38.460 -0.059 0.000 0.987 143 Y HN 0.229 nan 8.280 nan 0.000 0.509 144 Y N -0.081 120.047 120.300 -0.287 0.000 2.165 144 Y HA -0.276 -12.208 4.550 -27.471 0.000 0.286 144 Y C 2.279 177.931 175.900 -0.414 0.000 1.155 144 Y CA 1.982 59.847 58.100 -0.392 0.000 1.164 144 Y CB -0.471 37.820 38.460 -0.282 0.000 0.978 144 Y HN 0.014 nan 8.280 nan 0.000 0.513 145 V N -0.862 118.890 119.914 -0.271 0.000 2.358 145 V HA -0.290 -12.659 4.120 -27.482 0.000 0.246 145 V C 2.199 178.144 176.094 -0.248 0.000 1.047 145 V CA 2.246 64.336 62.300 -0.349 0.000 1.035 145 V CB -1.006 30.447 31.823 -0.616 0.000 0.658 145 V HN 0.455 nan 8.190 nan 0.000 0.452 146 T N -0.166 114.285 114.554 -0.170 0.000 2.635 146 T HA -0.286 -12.425 4.350 -27.482 0.000 0.267 146 T C 1.939 176.523 174.700 -0.194 0.000 1.040 146 T CA 2.112 64.158 62.100 -0.091 0.000 1.156 146 T CB -0.258 68.423 68.868 -0.313 0.000 0.863 146 T HN 0.461 nan 8.240 nan 0.000 0.430 147 E N 0.901 120.861 120.200 -0.400 0.000 2.072 147 E HA 0.018 -12.121 4.350 -27.482 0.000 0.191 147 E C 2.078 178.471 176.600 -0.345 0.000 0.985 147 E CA 0.819 56.976 56.400 -0.404 0.000 0.801 147 E CB -0.697 28.661 29.700 -0.571 0.000 0.750 147 E HN 0.439 nan 8.360 nan 0.000 0.452 148 L N 0.494 121.437 121.223 -0.466 0.000 2.042 148 L HA -0.222 -12.371 4.340 -27.482 0.000 0.210 148 L C 2.346 179.028 176.870 -0.313 0.000 1.076 148 L CA 2.094 56.656 54.840 -0.462 0.000 0.749 148 L CB -0.696 41.034 42.059 -0.549 0.000 0.893 148 L HN 0.393 nan 8.230 nan 0.000 0.432 149 T N -4.416 110.003 114.554 -0.226 0.000 2.788 149 T HA -0.301 -12.440 4.350 -27.482 0.000 0.268 149 T C 1.892 176.505 174.700 -0.145 0.000 1.044 149 T CA 1.442 63.431 62.100 -0.185 0.000 1.139 149 T CB -0.744 68.009 68.868 -0.192 0.000 0.867 149 T HN 0.505 nan 8.240 nan 0.000 0.454 150 H N 1.850 120.778 119.070 -0.237 0.000 2.321 150 H HA -0.051 -11.937 4.556 -27.404 0.000 0.300 150 H C 2.298 177.319 175.328 -0.512 0.000 1.087 150 H CA 1.393 57.023 56.048 -0.697 0.000 1.319 150 H CB 0.038 29.377 29.762 -0.706 0.000 1.379 150 H HN 0.155 nan 8.280 nan 0.000 0.501 151 R N 0.414 120.659 120.500 -0.426 0.000 2.115 151 R HA -0.035 -12.184 4.340 -27.482 0.000 0.230 151 R C 2.596 178.726 176.300 -0.284 0.000 1.111 151 R CA 0.718 56.593 56.100 -0.375 0.000 0.976 151 R CB -0.574 29.581 30.300 -0.241 0.000 0.870 151 R HN 0.471 nan 8.270 nan 0.000 0.445 152 I N -0.020 120.407 120.570 -0.238 0.000 2.277 152 I HA -0.125 -12.445 4.170 -27.482 0.000 0.243 152 I C 2.728 178.735 176.117 -0.184 0.000 1.094 152 I CA 0.713 61.924 61.300 -0.149 0.000 1.393 152 I CB -0.275 37.652 38.000 -0.121 0.000 1.078 152 I HN 0.050 nan 8.210 nan 0.000 0.417 153 R N 0.449 120.775 120.500 -0.290 0.000 2.105 153 R HA -0.188 -12.337 4.340 -27.482 0.000 0.239 153 R C 2.518 178.669 176.300 -0.248 0.000 1.135 153 R CA 1.788 57.737 56.100 -0.252 0.000 0.967 153 R CB -0.226 29.899 30.300 -0.291 0.000 0.861 153 R HN 0.264 nan 8.270 nan 0.000 0.442 154 S N 0.386 115.865 115.700 -0.369 0.000 2.423 154 S HA -0.123 -12.143 4.470 -27.482 0.000 0.231 154 S C 1.723 176.205 174.600 -0.197 0.000 1.014 154 S CA 1.113 59.109 58.200 -0.340 0.000 0.965 154 S CB -0.031 62.856 63.200 -0.521 0.000 0.785 154 S HN 0.255 nan 8.310 nan 0.000 0.495 155 K N 0.340 120.649 120.400 -0.152 0.000 2.525 155 K HA 0.153 -12.016 4.320 -27.482 0.000 0.192 155 K C 1.498 178.075 176.600 -0.038 0.000 1.029 155 K CA 0.682 56.922 56.287 -0.078 0.000 1.029 155 K CB -0.132 32.340 32.500 -0.047 0.000 0.814 155 K HN 0.336 nan 8.250 nan 0.000 0.503 156 S N -0.175 115.503 115.700 -0.036 0.000 2.559 156 S HA 0.040 -11.980 4.470 -27.482 0.000 0.226 156 S C -0.031 174.549 174.600 -0.033 0.000 1.030 156 S CA -0.339 57.855 58.200 -0.010 0.000 0.956 156 S CB 0.259 63.494 63.200 0.059 0.000 0.900 156 S HN 0.366 nan 8.310 nan 0.000 0.510 157 S N 2.247 117.911 115.700 -0.060 0.000 2.531 157 S HA 0.307 -11.712 4.470 -27.482 0.000 0.279 157 S C -1.699 172.884 174.600 -0.028 0.000 1.305 157 S CA -0.801 57.370 58.200 -0.047 0.000 1.058 157 S CB 0.667 63.825 63.200 -0.069 0.000 0.899 157 S HN 0.126 nan 8.310 nan 0.000 0.493 158 P HA -0.079 nan 4.420 nan 0.000 0.218 158 P C -0.377 176.918 177.300 -0.009 0.000 1.146 158 P CA 1.428 64.525 63.100 -0.006 0.000 0.820 158 P CB -0.249 31.455 31.700 0.007 0.000 0.778 159 D N -1.831 118.563 120.400 -0.010 0.000 2.185 159 D HA 0.304 -11.545 4.640 -27.482 0.000 0.247 159 D C 0.020 176.304 176.300 -0.027 0.000 1.027 159 D CA -0.918 53.074 54.000 -0.013 0.000 0.861 159 D CB 0.700 41.498 40.800 -0.004 0.000 1.202 159 D HN -0.173 nan 8.370 nan 0.000 0.453 169 A N 1.695 124.564 122.820 0.082 0.000 2.252 169 A HA 0.206 -11.963 4.320 -27.482 0.000 0.207 169 A C 1.247 178.907 177.584 0.126 0.000 1.194 169 A CA 0.670 52.748 52.037 0.069 0.000 0.809 169 A CB -0.151 18.866 19.000 0.029 0.000 0.814 169 A HN 0.679 nan 8.150 nan 0.000 0.482 170 D N -1.789 118.734 120.400 0.205 0.000 2.366 170 D HA 0.065 -11.785 4.640 -27.482 0.000 0.205 170 D C 0.971 177.569 176.300 0.495 0.000 1.022 170 D CA 0.362 54.526 54.000 0.273 0.000 0.868 170 D CB 0.044 40.992 40.800 0.248 0.000 0.953 170 D HN 0.480 nan 8.370 nan 0.000 0.514 171 F N 0.922 121.068 119.950 0.326 0.000 2.656 171 F HA 0.051 -11.992 4.527 -27.616 0.000 0.291 171 F C 1.737 177.828 175.800 0.484 0.000 1.122 171 F CA 0.280 58.541 58.000 0.435 0.000 1.427 171 F CB 0.054 39.287 39.000 0.388 0.000 1.125 171 F HN -0.278 nan 8.300 nan 0.000 0.583 172 V N -0.780 119.268 119.914 0.223 0.000 2.548 172 V HA -0.176 -12.545 4.120 -27.482 0.000 0.249 172 V C 2.534 178.675 176.094 0.079 0.000 1.055 172 V CA 1.752 64.091 62.300 0.066 0.000 1.065 172 V CB -0.945 30.851 31.823 -0.045 0.000 0.681 172 V HN 0.421 nan 8.190 nan 0.000 0.462 173 S N -0.677 115.075 115.700 0.086 0.000 2.474 173 S HA -0.072 -12.091 4.470 -27.482 0.000 0.235 173 S C 1.691 176.257 174.600 -0.056 0.000 0.997 173 S CA 1.173 59.368 58.200 -0.008 0.000 0.949 173 S CB -0.332 62.820 63.200 -0.080 0.000 0.766 173 S HN 0.539 nan 8.310 nan 0.000 0.517 174 F N 0.304 120.284 119.950 0.051 0.000 2.473 174 F HA 0.379 -11.595 4.527 -27.501 0.000 0.294 174 F C 0.716 176.487 175.800 -0.048 0.000 1.103 174 F CA -0.269 57.743 58.000 0.020 0.000 1.442 174 F CB -0.137 38.897 39.000 0.057 0.000 1.097 174 F HN 0.101 nan 8.300 nan 0.000 0.547 175 F N 2.551 122.481 119.950 -0.033 0.000 2.563 175 F HA 0.147 -11.732 4.527 -27.344 0.000 0.363 175 F C -1.428 174.421 175.800 0.082 0.000 1.123 175 F CA -2.013 55.935 58.000 -0.087 0.000 1.307 175 F CB -0.062 38.768 39.000 -0.284 0.000 1.115 175 F HN -0.187 nan 8.300 nan 0.000 0.592 176 P HA 0.084 nan 4.420 nan 0.000 0.276 176 P C -1.089 176.529 177.300 0.530 0.000 1.261 176 P CA -0.507 62.817 63.100 0.373 0.000 0.800 176 P CB 0.668 32.588 31.700 0.367 0.000 1.066 177 D N -0.110 120.553 120.400 0.439 0.000 2.382 177 D HA 0.150 -11.699 4.640 -27.482 0.000 0.240 177 D C -0.489 176.161 176.300 0.583 0.000 1.146 177 D CA 0.517 54.793 54.000 0.460 0.000 0.897 177 D CB 0.097 41.094 40.800 0.327 0.000 1.197 177 D HN 0.207 nan 8.370 nan 0.000 0.432 178 F N 1.568 121.728 119.950 0.350 0.000 2.436 178 F HA 0.391 -11.556 4.527 -27.457 0.000 0.340 178 F C -0.826 175.040 175.800 0.110 0.000 1.113 178 F CA -0.753 57.336 58.000 0.148 0.000 1.022 178 F CB 1.085 40.063 39.000 -0.036 0.000 1.128 178 F HN -0.032 nan 8.300 nan 0.000 0.466 179 V N 6.276 125.800 119.914 -0.651 0.000 2.525 179 V HA 0.204 -12.165 4.120 -27.482 0.000 0.299 179 V C -1.305 174.327 176.094 -0.769 0.000 1.034 179 V CA -0.891 61.140 62.300 -0.449 0.000 0.863 179 V CB 1.745 33.639 31.823 0.118 0.000 0.999 179 V HN 0.750 nan 8.190 nan 0.000 0.423 180 W N 5.033 125.889 121.300 -0.740 0.000 2.314 180 W HA 0.544 -11.284 4.660 -27.480 0.000 0.310 180 W C 0.244 176.587 176.519 -0.293 0.000 1.075 180 W CA -0.733 56.325 57.345 -0.479 0.000 1.253 180 W CB 1.669 30.967 29.460 -0.269 0.000 1.238 180 W HN 0.660 nan 8.180 nan 0.000 0.440 181 T N 4.299 118.897 114.554 0.075 0.000 2.753 181 T HA 0.597 -11.543 4.350 -27.482 0.000 0.297 181 T C -0.205 174.453 174.700 -0.070 0.000 0.981 181 T CA -0.645 61.323 62.100 -0.221 0.000 0.956 181 T CB 0.828 69.433 68.868 -0.438 0.000 0.936 181 T HN 0.267 nan 8.240 nan 0.000 0.463 182 L N 3.725 124.840 121.223 -0.181 0.000 2.312 182 L HA 0.640 -11.509 4.340 -27.482 0.000 0.281 182 L C 0.647 177.521 176.870 0.007 0.000 1.070 182 L CA -1.060 53.723 54.840 -0.095 0.000 0.805 182 L CB 0.809 42.761 42.059 -0.178 0.000 1.174 182 L HN 0.419 nan 8.230 nan 0.000 0.434 183 R N 1.295 121.848 120.500 0.088 0.000 2.832 183 R HA 0.281 -11.868 4.340 -27.482 0.000 0.271 183 R C -0.143 176.262 176.300 0.174 0.000 0.996 183 R CA -0.928 55.279 56.100 0.179 0.000 0.977 183 R CB 0.988 31.375 30.300 0.144 0.000 1.168 183 R HN 0.640 nan 8.270 nan 0.000 0.482 184 D N 0.284 120.782 120.400 0.164 0.000 2.997 184 D HA -0.255 -12.104 4.640 -27.482 0.000 0.226 184 D C -0.103 176.298 176.300 0.170 0.000 1.189 184 D CA 1.112 55.181 54.000 0.115 0.000 0.834 184 D CB -0.819 40.022 40.800 0.068 0.000 1.105 184 D HN 0.366 nan 8.370 nan 0.000 0.415 185 F N 1.081 121.032 119.950 0.002 0.000 2.987 185 F HA 0.188 -11.772 4.527 -27.479 0.000 0.302 185 F C 1.503 177.277 175.800 -0.044 0.000 1.221 185 F CA -0.297 57.675 58.000 -0.047 0.000 1.307 185 F CB -0.219 38.722 39.000 -0.098 0.000 1.108 185 F HN -0.092 nan 8.300 nan 0.000 0.521 186 S N -0.512 115.136 115.700 -0.086 0.000 2.595 186 S HA -0.130 -12.149 4.470 -27.482 0.000 0.235 186 S C 1.810 176.245 174.600 -0.276 0.000 0.974 186 S CA 0.511 58.636 58.200 -0.126 0.000 0.942 186 S CB -0.433 62.734 63.200 -0.054 0.000 0.766 186 S HN 0.526 nan 8.310 nan 0.000 0.536 187 L N 2.661 123.595 121.223 -0.482 0.000 1.909 187 L HA 0.105 -12.045 4.340 -27.482 0.000 0.216 187 L C 0.664 177.123 176.870 -0.685 0.000 1.097 187 L CA 2.083 56.591 54.840 -0.553 0.000 0.777 187 L CB -1.085 40.619 42.059 -0.591 0.000 0.887 187 L HN 0.426 nan 8.230 nan 0.000 0.432 188 D N -0.351 119.284 120.400 -1.274 0.000 2.886 188 D HA -0.244 -12.093 4.640 -27.482 0.000 0.221 188 D C -1.021 175.046 176.300 -0.390 0.000 1.227 188 D CA 0.682 54.166 54.000 -0.860 0.000 0.746 188 D CB -0.960 39.449 40.800 -0.652 0.000 0.935 188 D HN 0.250 nan 8.370 nan 0.000 0.399 189 L N 2.466 123.519 121.223 -0.283 0.000 2.427 189 L HA 0.430 -11.720 4.340 -27.482 0.000 0.264 189 L C -0.187 176.626 176.870 -0.095 0.000 0.989 189 L CA -0.471 54.274 54.840 -0.159 0.000 0.865 189 L CB 0.978 42.952 42.059 -0.142 0.000 1.209 189 L HN 0.305 nan 8.230 nan 0.000 0.430 190 E N 3.222 123.374 120.200 -0.079 0.000 2.388 190 E HA 0.861 -11.278 4.350 -27.482 0.000 0.280 190 E C -1.684 174.866 176.600 -0.083 0.000 1.019 190 E CA -1.001 55.357 56.400 -0.070 0.000 0.806 190 E CB 2.510 32.171 29.700 -0.064 0.000 1.246 190 E HN 0.380 nan 8.360 nan 0.000 0.443 191 A N 0.839 123.605 122.820 -0.090 0.000 2.536 191 A HA 0.469 -11.700 4.320 -27.482 0.000 0.293 191 A C -0.690 176.846 177.584 -0.080 0.000 1.119 191 A CA 0.029 52.018 52.037 -0.079 0.000 0.654 191 A CB 1.369 20.336 19.000 -0.055 0.000 1.291 191 A HN 0.836 nan 8.150 nan 0.000 0.439 192 D N -1.463 118.901 120.400 -0.061 0.000 2.943 192 D HA 0.245 -11.605 4.640 -27.482 0.000 0.282 192 D C 1.035 177.316 176.300 -0.032 0.000 1.148 192 D CA 1.251 55.224 54.000 -0.046 0.000 1.006 192 D CB 0.344 41.121 40.800 -0.039 0.000 1.168 192 D HN 0.822 nan 8.370 nan 0.000 0.450 193 G N -0.527 108.256 108.800 -0.028 0.000 2.512 193 G HA2 0.111 -12.418 3.960 -27.482 0.000 0.193 193 G HA3 0.111 -12.418 3.960 -27.482 0.000 0.193 193 G C 0.502 175.388 174.900 -0.022 0.000 1.278 193 G CA -0.128 44.958 45.100 -0.022 0.000 0.722 193 G HN 0.076 nan 8.290 nan 0.000 0.925 194 Q N 0.899 120.684 119.800 -0.024 0.000 2.337 194 Q HA 0.420 -11.730 4.340 -27.482 0.000 0.266 194 Q C -2.742 173.240 176.000 -0.030 0.000 1.023 194 Q CA -2.067 53.722 55.803 -0.023 0.000 0.829 194 Q CB 2.294 31.022 28.738 -0.017 0.000 1.306 194 Q HN 0.022 nan 8.270 nan 0.000 0.449 195 P HA -0.021 nan 4.420 nan 0.000 0.264 195 P C -0.404 176.876 177.300 -0.033 0.000 1.183 195 P CA -0.256 62.821 63.100 -0.038 0.000 0.763 195 P CB 0.378 32.056 31.700 -0.037 0.000 0.807 196 L N 3.139 124.339 121.223 -0.038 0.000 2.453 196 L HA 0.122 -12.028 4.340 -27.482 0.000 0.272 196 L C 1.213 178.081 176.870 -0.004 0.000 1.182 196 L CA 0.865 55.694 54.840 -0.017 0.000 0.858 196 L CB -0.224 41.831 42.059 -0.006 0.000 1.120 196 L HN 0.472 nan 8.230 nan 0.000 0.474 197 T N 1.117 115.674 114.554 0.005 0.000 2.849 197 T HA 0.315 -11.825 4.350 -27.482 0.000 0.284 197 T C -1.821 172.891 174.700 0.020 0.000 1.004 197 T CA -1.587 60.512 62.100 -0.002 0.000 1.021 197 T CB 0.810 69.668 68.868 -0.017 0.000 1.013 197 T HN 0.429 nan 8.240 nan 0.000 0.527 198 P HA -0.103 nan 4.420 nan 0.000 0.216 198 P C 1.131 178.437 177.300 0.011 0.000 1.153 198 P CA 1.053 64.149 63.100 -0.006 0.000 0.858 198 P CB 0.004 31.636 31.700 -0.113 0.000 0.789 199 D N -0.425 119.935 120.400 -0.067 0.000 2.092 199 D HA -0.165 -12.014 4.640 -27.482 0.000 0.193 199 D C 1.923 178.232 176.300 0.015 0.000 0.994 199 D CA 1.213 55.179 54.000 -0.056 0.000 0.828 199 D CB -0.544 40.203 40.800 -0.088 0.000 0.963 199 D HN 0.300 nan 8.370 nan 0.000 0.450 200 E N -0.525 119.695 120.200 0.034 0.000 2.118 200 E HA -0.211 -12.350 4.350 -27.482 0.000 0.195 200 E C 1.986 178.654 176.600 0.114 0.000 0.992 200 E CA 0.626 57.060 56.400 0.057 0.000 0.804 200 E CB -0.212 29.510 29.700 0.037 0.000 0.741 200 E HN 0.346 nan 8.360 nan 0.000 0.458 201 Y N 1.150 121.465 120.300 0.024 0.000 2.207 201 Y HA -0.248 -12.185 4.550 -27.479 0.000 0.287 201 Y C 2.046 177.982 175.900 0.061 0.000 1.156 201 Y CA 1.207 59.354 58.100 0.079 0.000 1.182 201 Y CB -0.226 38.266 38.460 0.053 0.000 0.979 201 Y HN 0.057 nan 8.280 nan 0.000 0.521 202 L N 0.233 121.415 121.223 -0.068 0.000 1.976 202 L HA -0.177 -12.326 4.340 -27.482 0.000 0.209 202 L C 2.744 179.541 176.870 -0.122 0.000 1.071 202 L CA 2.889 57.634 54.840 -0.158 0.000 0.746 202 L CB -1.559 40.495 42.059 -0.008 0.000 0.890 202 L HN 0.503 nan 8.230 nan 0.000 0.432 203 T N -2.819 111.723 114.554 -0.021 0.000 2.759 203 T HA -0.319 -12.458 4.350 -27.482 0.000 0.269 203 T C 1.934 176.631 174.700 -0.004 0.000 1.042 203 T CA 1.695 63.797 62.100 0.004 0.000 1.140 203 T CB -1.134 67.756 68.868 0.036 0.000 0.864 203 T HN 0.476 nan 8.240 nan 0.000 0.455 204 Y N 3.464 123.690 120.300 -0.124 0.000 2.070 204 Y HA -0.147 -12.085 4.550 -27.480 0.000 0.280 204 Y C 2.707 178.499 175.900 -0.180 0.000 1.148 204 Y CA 1.991 60.015 58.100 -0.125 0.000 1.125 204 Y CB -0.843 37.554 38.460 -0.105 0.000 0.975 204 Y HN 0.413 nan 8.280 nan 0.000 0.492 205 S N -0.763 114.624 115.700 -0.521 0.000 2.595 205 S HA -0.074 -12.093 4.470 -27.482 0.000 0.235 205 S C 1.330 175.718 174.600 -0.354 0.000 0.974 205 S CA 1.002 58.845 58.200 -0.595 0.000 0.942 205 S CB -0.414 62.338 63.200 -0.747 0.000 0.766 205 S HN 0.361 nan 8.310 nan 0.000 0.536 206 L N 1.301 122.380 121.223 -0.241 0.000 2.693 206 L HA 0.334 -11.815 4.340 -27.482 0.000 0.235 206 L C 0.730 177.546 176.870 -0.091 0.000 1.127 206 L CA 0.022 54.786 54.840 -0.126 0.000 0.914 206 L CB 0.041 42.068 42.059 -0.053 0.000 1.193 206 L HN 0.325 nan 8.230 nan 0.000 0.502 207 K N 0.756 121.084 120.400 -0.120 0.000 2.401 207 K HA 0.178 -11.991 4.320 -27.482 0.000 0.278 207 K C -0.471 176.122 176.600 -0.012 0.000 1.018 207 K CA -0.303 55.947 56.287 -0.063 0.000 0.981 207 K CB 0.622 33.077 32.500 -0.076 0.000 0.933 207 K HN 0.052 nan 8.250 nan 0.000 0.477 208 L N 2.865 124.094 121.223 0.010 0.000 2.426 208 L HA 0.176 -11.973 4.340 -27.482 0.000 0.271 208 L C 0.720 177.616 176.870 0.042 0.000 1.169 208 L CA -0.458 54.411 54.840 0.050 0.000 0.836 208 L CB 0.389 42.460 42.059 0.021 0.000 1.112 208 L HN 0.575 nan 8.230 nan 0.000 0.465 209 K N 2.794 123.234 120.400 0.067 0.000 2.368 209 K HA 0.135 -12.034 4.320 -27.482 0.000 0.282 209 K C -0.456 176.121 176.600 -0.038 0.000 1.035 209 K CA -0.191 56.066 56.287 -0.050 0.000 0.973 209 K CB 0.623 33.001 32.500 -0.203 0.000 0.957 209 K HN 0.427 nan 8.250 nan 0.000 0.474 210 K N 1.943 122.315 120.400 -0.047 0.000 2.219 210 K HA 0.266 -11.903 4.320 -27.482 0.000 0.280 210 K C -0.043 176.531 176.600 -0.043 0.000 1.104 210 K CA -0.420 55.847 56.287 -0.033 0.000 0.925 210 K CB 1.022 33.508 32.500 -0.025 0.000 1.261 210 K HN 0.760 nan 8.250 nan 0.000 0.445 211 G N 0.648 109.425 108.800 -0.038 0.000 2.657 211 G HA2 0.039 -12.491 3.960 -27.482 0.000 0.303 211 G HA3 0.039 -12.491 3.960 -27.482 0.000 0.303 211 G C -0.164 174.719 174.900 -0.028 0.000 1.457 211 G CA -0.859 44.218 45.100 -0.039 0.000 0.982 211 G HN 0.317 nan 8.290 nan 0.000 0.583 212 T N -1.051 113.489 114.554 -0.022 0.000 3.624 212 T HA 0.460 -11.679 4.350 -27.482 0.000 0.231 212 T C 0.921 175.612 174.700 -0.015 0.000 0.865 212 T CA 0.252 62.342 62.100 -0.016 0.000 0.926 212 T CB 0.074 68.934 68.868 -0.013 0.000 1.189 212 T HN 0.824 nan 8.240 nan 0.000 0.640 213 S N 0.184 115.873 115.700 -0.019 0.000 2.704 213 S HA 0.367 -11.652 4.470 -27.482 0.000 0.305 213 S C 0.514 175.109 174.600 -0.008 0.000 1.107 213 S CA -0.807 57.383 58.200 -0.017 0.000 0.993 213 S CB 1.947 65.130 63.200 -0.028 0.000 1.110 213 S HN 0.390 nan 8.310 nan 0.000 0.534 214 Q N 0.455 120.253 119.800 -0.003 0.000 2.246 214 Q HA 0.269 -11.880 4.340 -27.482 0.000 0.202 214 Q C 1.229 177.238 176.000 0.015 0.000 0.883 214 Q CA -0.001 55.807 55.803 0.008 0.000 0.952 214 Q CB 0.250 28.993 28.738 0.009 0.000 1.078 214 Q HN 0.591 nan 8.270 nan 0.000 0.493 215 K N -0.155 120.249 120.400 0.005 0.000 2.287 215 K HA -0.033 -12.203 4.320 -27.482 0.000 0.199 215 K C 0.586 177.201 176.600 0.024 0.000 1.061 215 K CA 0.778 57.073 56.287 0.012 0.000 0.976 215 K CB 0.654 33.145 32.500 -0.016 0.000 0.898 215 K HN 0.175 nan 8.250 nan 0.000 0.492 216 D N 0.883 121.272 120.400 -0.018 0.000 2.183 216 D HA -0.152 -12.002 4.640 -27.482 0.000 0.203 216 D C 1.632 177.982 176.300 0.083 0.000 0.969 216 D CA 0.784 54.774 54.000 -0.016 0.000 0.842 216 D CB -0.009 40.744 40.800 -0.078 0.000 0.957 216 D HN 0.208 nan 8.370 nan 0.000 0.484 217 E N 0.992 121.218 120.200 0.043 0.000 2.023 217 E HA -0.138 -12.278 4.350 -27.482 0.000 0.196 217 E C 1.346 177.971 176.600 0.041 0.000 1.003 217 E CA 1.790 58.209 56.400 0.033 0.000 0.809 217 E CB -0.402 29.307 29.700 0.015 0.000 0.755 217 E HN 0.275 nan 8.360 nan 0.000 0.449 218 T N -2.057 112.532 114.554 0.058 0.000 3.609 218 T HA 0.081 -12.058 4.350 -27.482 0.000 0.245 218 T C 0.662 175.428 174.700 0.111 0.000 0.980 218 T CA 0.044 62.177 62.100 0.055 0.000 0.940 218 T CB -0.502 68.401 68.868 0.058 0.000 1.105 218 T HN 0.257 nan 8.240 nan 0.000 0.627 219 F N 0.003 119.911 119.950 -0.070 0.000 2.665 219 F HA 0.361 -11.598 4.527 -27.477 0.000 0.328 219 F C 1.373 177.114 175.800 -0.099 0.000 0.848 219 F CA -0.418 57.540 58.000 -0.070 0.000 1.071 219 F CB 0.489 39.457 39.000 -0.053 0.000 0.906 219 F HN 0.047 nan 8.300 nan 0.000 0.654 220 N N 1.142 119.900 118.700 0.097 0.000 2.424 220 N HA 0.103 -11.647 4.740 -27.482 0.000 0.178 220 N C 1.786 177.209 175.510 -0.145 0.000 1.060 220 N CA 0.745 53.795 53.050 -0.001 0.000 0.901 220 N CB 0.095 38.612 38.487 0.050 0.000 0.979 220 N HN 0.337 nan 8.380 nan 0.000 0.451 221 L N 1.795 122.886 121.223 -0.219 0.000 1.989 221 L HA -0.138 -12.287 4.340 -27.482 0.000 0.211 221 L C -0.443 176.050 176.870 -0.627 0.000 1.071 221 L CA 1.672 56.271 54.840 -0.403 0.000 0.749 221 L CB -1.742 40.031 42.059 -0.477 0.000 0.890 221 L HN 0.127 nan 8.230 nan 0.000 0.431 222 P HA -0.170 nan 4.420 nan 0.000 0.216 222 P C 1.352 178.520 177.300 -0.222 0.000 1.150 222 P CA 1.508 64.325 63.100 -0.471 0.000 0.837 222 P CB -0.032 31.490 31.700 -0.297 0.000 0.786 223 R N -0.262 120.113 120.500 -0.208 0.000 2.073 223 R HA -0.025 -12.174 4.340 -27.482 0.000 0.234 223 R C 2.691 178.943 176.300 -0.080 0.000 1.134 223 R CA 1.096 57.124 56.100 -0.119 0.000 0.952 223 R CB -1.483 28.752 30.300 -0.110 0.000 0.850 223 R HN 0.178 nan 8.270 nan 0.000 0.433 224 L N -0.267 120.894 121.223 -0.104 0.000 2.079 224 L HA -0.277 -12.426 4.340 -27.482 0.000 0.210 224 L C 2.651 179.490 176.870 -0.051 0.000 1.081 224 L CA 1.257 56.049 54.840 -0.079 0.000 0.752 224 L CB -0.475 41.530 42.059 -0.089 0.000 0.896 224 L HN 0.456 nan 8.230 nan 0.000 0.433 225 C N 0.399 119.690 119.300 -0.014 0.000 2.446 225 C HA -0.127 -12.156 4.460 -27.482 0.000 0.277 225 C C 2.650 177.736 174.990 0.160 0.000 1.275 225 C CA 0.496 59.611 59.018 0.161 0.000 1.727 225 C CB -0.663 27.279 27.740 0.336 0.000 2.010 225 C HN 0.448 nan 8.230 nan 0.000 0.486 226 I N 0.456 121.102 120.570 0.127 0.000 2.394 226 I HA -0.111 -12.430 4.170 -27.482 0.000 0.251 226 I C 2.873 179.064 176.117 0.123 0.000 1.136 226 I CA 1.428 62.862 61.300 0.224 0.000 1.425 226 I CB -0.669 37.374 38.000 0.072 0.000 1.079 226 I HN 0.334 nan 8.210 nan 0.000 0.425 227 R N 1.368 121.880 120.500 0.020 0.000 2.120 227 R HA -0.230 -12.380 4.340 -27.482 0.000 0.234 227 R C 2.214 178.454 176.300 -0.100 0.000 1.123 227 R CA 1.686 57.772 56.100 -0.023 0.000 0.975 227 R CB 0.031 30.306 30.300 -0.042 0.000 0.866 227 R HN 0.178 nan 8.270 nan 0.000 0.446 228 K N -1.057 119.215 120.400 -0.214 0.000 2.168 228 K HA 0.030 -12.139 4.320 -27.482 0.000 0.201 228 K C 1.224 177.463 176.600 -0.601 0.000 1.049 228 K CA 1.051 57.073 56.287 -0.442 0.000 0.974 228 K CB 0.043 32.156 32.500 -0.644 0.000 0.792 228 K HN 0.054 nan 8.250 nan 0.000 0.463 229 F N -0.436 119.229 119.950 -0.474 0.000 2.698 229 F HA 0.300 4.699 4.527 -0.214 0.000 0.295 229 F C -0.042 175.119 175.800 -1.064 0.000 1.124 229 F CA -0.020 57.405 58.000 -0.959 0.000 1.426 229 F CB 0.335 38.411 39.000 -1.540 0.000 1.120 229 F HN -0.178 nan 8.300 nan 0.000 0.583 230 F N 0.582 120.474 119.950 -0.097 0.000 2.366 230 F HA 0.354 -11.542 4.527 -27.372 0.000 0.357 230 F C -1.896 173.938 175.800 0.057 0.000 1.107 230 F CA -2.144 55.867 58.000 0.018 0.000 1.208 230 F CB 0.409 39.400 39.000 -0.016 0.000 1.464 230 F HN -0.186 nan 8.300 nan 0.000 0.501 231 P HA -0.142 nan 4.420 nan 0.000 0.213 231 P C 0.163 177.564 177.300 0.168 0.000 1.170 231 P CA 0.944 64.112 63.100 0.113 0.000 0.889 231 P CB 0.283 32.023 31.700 0.067 0.000 0.782 232 K N 1.310 121.839 120.400 0.214 0.000 2.316 232 K HA 0.159 -12.011 4.320 -27.482 0.000 0.289 232 K C -0.319 176.465 176.600 0.307 0.000 1.070 232 K CA -0.336 56.089 56.287 0.231 0.000 0.928 232 K CB -0.036 32.599 32.500 0.224 0.000 1.039 232 K HN 0.032 nan 8.250 nan 0.000 0.480 233 K N 2.856 123.411 120.400 0.258 0.000 2.578 233 K HA 0.320 -11.850 4.320 -27.482 0.000 0.250 233 K C -1.200 175.474 176.600 0.124 0.000 0.955 233 K CA -1.182 55.275 56.287 0.283 0.000 0.825 233 K CB 1.676 34.387 32.500 0.352 0.000 1.151 233 K HN 0.076 nan 8.250 nan 0.000 0.432 234 K N 2.203 122.617 120.400 0.024 0.000 2.207 234 K HA 0.480 -11.689 4.320 -27.482 0.000 0.255 234 K C -1.533 174.905 176.600 -0.270 0.000 0.941 234 K CA -0.690 55.457 56.287 -0.234 0.000 0.825 234 K CB 1.835 34.020 32.500 -0.524 0.000 1.119 234 K HN 0.838 nan 8.250 nan 0.000 0.430 235 C N 4.981 124.046 119.300 -0.393 0.000 2.507 235 C HA 0.760 -11.270 4.460 -27.482 0.000 0.319 235 C C -1.496 173.138 174.990 -0.594 0.000 1.208 235 C CA -0.717 58.119 59.018 -0.304 0.000 1.619 235 C CB -0.294 27.372 27.740 -0.123 0.000 2.230 235 C HN 0.778 nan 8.230 nan 0.000 0.492 236 F N 4.441 124.260 119.950 -0.219 0.000 2.536 236 F HA 0.491 -11.472 4.527 -27.483 0.000 0.322 236 F C 0.185 175.673 175.800 -0.520 0.000 1.144 236 F CA -0.719 57.056 58.000 -0.376 0.000 0.924 236 F CB 2.002 40.668 39.000 -0.557 0.000 1.181 236 F HN 0.622 nan 8.300 nan 0.000 0.438 237 V N 1.182 121.022 119.914 -0.123 0.000 2.394 237 V HA 0.575 -11.794 4.120 -27.482 0.000 0.282 237 V C -0.793 175.370 176.094 0.114 0.000 1.031 237 V CA -0.705 61.561 62.300 -0.056 0.000 0.881 237 V CB 1.040 32.884 31.823 0.034 0.000 0.982 237 V HN 0.644 nan 8.190 nan 0.000 0.451 238 F N 1.691 121.723 119.950 0.136 0.000 2.508 238 F HA 0.505 -11.456 4.527 -27.479 0.000 0.325 238 F C 0.473 176.371 175.800 0.164 0.000 1.090 238 F CA -1.100 56.992 58.000 0.153 0.000 0.945 238 F CB 2.006 41.115 39.000 0.182 0.000 1.156 238 F HN 0.520 nan 8.300 nan 0.000 0.463 239 D N 1.634 122.264 120.400 0.383 0.000 2.362 239 D HA 0.090 -11.759 4.640 -27.482 0.000 0.242 239 D C 0.100 176.484 176.300 0.139 0.000 1.132 239 D CA -0.193 53.926 54.000 0.198 0.000 0.907 239 D CB 0.752 41.633 40.800 0.135 0.000 1.195 239 D HN 0.368 nan 8.370 nan 0.000 0.429 240 R N 1.721 122.227 120.500 0.009 0.000 2.502 240 R HA 0.056 -12.093 4.340 -27.482 0.000 0.292 240 R C -2.015 174.130 176.300 -0.259 0.000 0.998 240 R CA -0.713 55.331 56.100 -0.095 0.000 1.056 240 R CB 0.280 30.532 30.300 -0.081 0.000 0.939 240 R HN 0.190 nan 8.270 nan 0.000 0.411 241 P HA 0.036 nan 4.420 nan 0.000 0.276 241 P C -1.049 176.029 177.300 -0.371 0.000 1.264 241 P CA -0.002 62.638 63.100 -0.766 0.000 0.769 241 P CB 1.052 32.170 31.700 -0.970 0.000 0.840 242 V N 6.095 125.809 119.914 -0.333 0.000 2.409 242 V HA 0.414 -11.956 4.120 -27.482 0.000 0.291 242 V C 0.081 176.018 176.094 -0.262 0.000 1.020 242 V CA -0.313 61.794 62.300 -0.321 0.000 0.848 242 V CB 1.004 32.693 31.823 -0.223 0.000 0.990 242 V HN 0.776 nan 8.190 nan 0.000 0.430 243 H N 2.142 121.098 119.070 -0.190 0.000 2.990 243 H HA 0.678 -11.256 4.556 -27.482 0.000 0.343 243 H C -0.193 175.074 175.328 -0.101 0.000 1.270 243 H CA -1.241 54.702 56.048 -0.174 0.000 1.118 243 H CB 0.859 30.479 29.762 -0.237 0.000 1.861 243 H HN 0.560 nan 8.280 nan 0.000 0.544 244 R N 1.397 121.948 120.500 0.085 0.000 2.697 244 R HA 0.011 -12.139 4.340 -27.482 0.000 0.265 244 R C 0.190 176.577 176.300 0.146 0.000 1.009 244 R CA -0.390 55.749 56.100 0.064 0.000 1.099 244 R CB 0.568 30.895 30.300 0.045 0.000 0.965 244 R HN 0.830 nan 8.270 nan 0.000 0.428 245 R N 2.342 122.882 120.500 0.066 0.000 2.756 245 R HA -0.108 -12.257 4.340 -27.482 0.000 0.264 245 R C -0.348 176.010 176.300 0.096 0.000 1.026 245 R CA 0.158 56.302 56.100 0.074 0.000 1.121 245 R CB 0.433 30.749 30.300 0.027 0.000 0.999 245 R HN 0.475 nan 8.270 nan 0.000 0.449 246 K N 4.846 125.303 120.400 0.095 0.000 2.062 246 K HA 0.011 -12.158 4.320 -27.482 0.000 0.251 246 K C -0.404 176.220 176.600 0.040 0.000 1.113 246 K CA 0.142 56.468 56.287 0.065 0.000 1.096 246 K CB -0.686 31.849 32.500 0.059 0.000 1.099 246 K HN 0.415 nan 8.250 nan 0.000 0.350 247 L N 1.722 122.966 121.223 0.035 0.000 2.433 247 L HA 0.454 -11.696 4.340 -27.482 0.000 0.284 247 L C -0.007 176.875 176.870 0.020 0.000 1.120 247 L CA -0.319 54.535 54.840 0.024 0.000 0.879 247 L CB -0.184 41.888 42.059 0.022 0.000 1.232 247 L HN 0.613 nan 8.230 nan 0.000 0.454 248 A N 2.375 125.205 122.820 0.017 0.000 1.478 248 A HA -0.148 -12.317 4.320 -27.482 0.000 0.209 248 A C 0.370 177.963 177.584 0.015 0.000 1.187 248 A CA 0.066 52.112 52.037 0.014 0.000 0.583 248 A CB -1.271 17.737 19.000 0.013 0.000 1.272 248 A HN 0.890 nan 8.150 nan 0.000 0.177 249 Q N 1.083 120.891 119.800 0.013 0.000 2.540 249 Q HA 0.527 -11.622 4.340 -27.482 0.000 0.256 249 Q C 0.894 176.898 176.000 0.008 0.000 1.084 249 Q CA 0.766 56.576 55.803 0.012 0.000 0.956 249 Q CB 0.045 28.789 28.738 0.010 0.000 1.303 249 Q HN 1.553 nan 8.270 nan 0.000 0.509 250 L N -0.921 120.304 121.223 0.003 0.000 3.471 250 L HA -0.186 -12.336 4.340 -27.482 0.000 0.454 250 L C -0.004 176.867 176.870 0.001 0.000 1.286 250 L CA 1.203 56.042 54.840 -0.002 0.000 0.872 250 L CB -2.996 39.062 42.059 -0.000 0.000 1.842 250 L HN 0.933 nan 8.230 nan 0.000 0.801 251 E N -0.774 119.427 120.200 0.002 0.000 2.449 251 E HA 0.806 -11.333 4.350 -27.482 0.000 0.254 251 E C -0.394 176.216 176.600 0.016 0.000 0.907 251 E CA -1.198 55.209 56.400 0.012 0.000 0.840 251 E CB 2.355 32.066 29.700 0.018 0.000 1.459 251 E HN 0.119 nan 8.360 nan 0.000 0.407 252 K N 1.280 121.703 120.400 0.038 0.000 2.640 252 K HA 0.343 -11.826 4.320 -27.482 0.000 0.245 252 K C -0.883 175.775 176.600 0.097 0.000 0.962 252 K CA -0.384 55.945 56.287 0.070 0.000 0.896 252 K CB 0.896 33.439 32.500 0.072 0.000 1.147 252 K HN 0.514 nan 8.250 nan 0.000 0.445 253 L N 1.800 123.103 121.223 0.132 0.000 2.464 253 L HA 0.284 -11.866 4.340 -27.482 0.000 0.224 253 L C 0.355 177.301 176.870 0.126 0.000 1.219 253 L CA -0.203 54.697 54.840 0.100 0.000 0.831 253 L CB 0.623 42.704 42.059 0.036 0.000 1.284 253 L HN 0.647 nan 8.230 nan 0.000 0.522 254 Q N -0.974 118.870 119.800 0.073 0.000 2.433 254 Q HA 0.139 -12.010 4.340 -27.482 0.000 0.279 254 Q C -0.163 175.869 176.000 0.053 0.000 1.105 254 Q CA -0.746 55.108 55.803 0.085 0.000 0.815 254 Q CB 2.147 30.921 28.738 0.060 0.000 1.403 254 Q HN 0.459 nan 8.270 nan 0.000 0.435 255 D N 1.025 121.476 120.400 0.086 0.000 2.149 255 D HA -0.206 -12.055 4.640 -27.482 0.000 0.194 255 D C 0.726 177.036 176.300 0.016 0.000 1.001 255 D CA 1.571 55.613 54.000 0.070 0.000 0.849 255 D CB 0.278 41.127 40.800 0.081 0.000 0.939 255 D HN 0.490 nan 8.370 nan 0.000 0.449 256 E N 0.100 120.308 120.200 0.014 0.000 2.510 256 E HA -0.090 -12.229 4.350 -27.482 0.000 0.202 256 E C 0.842 177.436 176.600 -0.011 0.000 1.072 256 E CA 0.537 56.938 56.400 0.002 0.000 0.883 256 E CB -0.036 29.668 29.700 0.007 0.000 0.818 256 E HN 0.466 nan 8.360 nan 0.000 0.548 257 E N -0.445 119.740 120.200 -0.024 0.000 2.583 257 E HA 0.192 -11.947 4.350 -27.482 0.000 0.213 257 E C -0.196 176.359 176.600 -0.074 0.000 0.989 257 E CA -0.082 56.297 56.400 -0.035 0.000 0.991 257 E CB 0.625 30.311 29.700 -0.024 0.000 1.040 257 E HN 0.143 nan 8.360 nan 0.000 0.481 258 L N 0.651 121.810 121.223 -0.106 0.000 2.319 258 L HA 0.365 -11.784 4.340 -27.482 0.000 0.267 258 L C 0.028 176.849 176.870 -0.082 0.000 1.011 258 L CA -1.385 53.354 54.840 -0.168 0.000 0.818 258 L CB 1.127 43.001 42.059 -0.309 0.000 1.316 258 L HN -0.116 nan 8.230 nan 0.000 0.432 259 D N 1.733 122.077 120.400 -0.093 0.000 2.570 259 D HA -0.032 -11.881 4.640 -27.482 0.000 0.243 259 D C -1.746 174.565 176.300 0.020 0.000 1.171 259 D CA -0.627 53.350 54.000 -0.039 0.000 0.879 259 D CB 0.999 41.767 40.800 -0.053 0.000 1.143 259 D HN 0.195 nan 8.370 nan 0.000 0.511 260 P HA -0.182 nan 4.420 nan 0.000 0.217 260 P C 0.866 178.171 177.300 0.009 0.000 1.148 260 P CA 1.021 64.124 63.100 0.004 0.000 0.828 260 P CB 0.139 31.836 31.700 -0.005 0.000 0.783 261 E N -1.131 119.082 120.200 0.022 0.000 2.047 261 E HA -0.186 -12.325 4.350 -27.482 0.000 0.191 261 E C 1.956 178.572 176.600 0.027 0.000 0.987 261 E CA 0.992 57.407 56.400 0.027 0.000 0.799 261 E CB -1.125 28.596 29.700 0.036 0.000 0.752 261 E HN 0.290 nan 8.360 nan 0.000 0.449 262 F N 2.255 122.143 119.950 -0.104 0.000 2.126 262 F HA -0.225 -12.188 4.527 -27.482 0.000 0.299 262 F C 2.235 177.924 175.800 -0.185 0.000 1.096 262 F CA 1.096 58.995 58.000 -0.170 0.000 1.255 262 F CB -0.229 38.650 39.000 -0.202 0.000 0.997 262 F HN -0.226 nan 8.300 nan 0.000 0.479 263 V N 0.101 119.931 119.914 -0.140 0.000 2.343 263 V HA -0.299 -12.668 4.120 -27.482 0.000 0.247 263 V C 2.362 178.346 176.094 -0.184 0.000 1.051 263 V CA 2.080 64.285 62.300 -0.157 0.000 1.036 263 V CB -0.865 30.948 31.823 -0.017 0.000 0.654 263 V HN 0.334 nan 8.190 nan 0.000 0.451 264 Q N -0.324 119.405 119.800 -0.120 0.000 2.119 264 Q HA -0.166 -12.315 4.340 -27.482 0.000 0.201 264 Q C 2.271 178.205 176.000 -0.110 0.000 0.972 264 Q CA 1.595 57.348 55.803 -0.084 0.000 0.847 264 Q CB -0.346 28.374 28.738 -0.030 0.000 0.903 264 Q HN 0.559 nan 8.270 nan 0.000 0.433 265 Q N -0.680 119.019 119.800 -0.168 0.000 2.050 265 Q HA -0.070 -12.219 4.340 -27.482 0.000 0.202 265 Q C 2.119 177.910 176.000 -0.348 0.000 0.980 265 Q CA 1.616 57.338 55.803 -0.136 0.000 0.840 265 Q CB -0.359 28.326 28.738 -0.089 0.000 0.898 265 Q HN 0.317 nan 8.270 nan 0.000 0.424 266 V N 1.041 120.502 119.914 -0.755 0.000 2.626 266 V HA -0.181 -12.551 4.120 -27.482 0.000 0.252 266 V C 2.262 178.197 176.094 -0.264 0.000 1.067 266 V CA 1.428 63.311 62.300 -0.695 0.000 1.081 266 V CB -0.916 30.443 31.823 -0.772 0.000 0.686 266 V HN 0.278 nan 8.190 nan 0.000 0.468 267 A N -0.101 122.585 122.820 -0.224 0.000 1.872 267 A HA -0.178 -12.347 4.320 -27.482 0.000 0.214 267 A C 2.013 179.518 177.584 -0.132 0.000 1.187 267 A CA 1.594 53.542 52.037 -0.148 0.000 0.614 267 A CB -0.503 18.439 19.000 -0.097 0.000 0.826 267 A HN 0.484 nan 8.150 nan 0.000 0.442 268 D N -0.927 119.425 120.400 -0.081 0.000 2.218 268 D HA -0.137 -11.986 4.640 -27.482 0.000 0.204 268 D C 1.540 177.783 176.300 -0.095 0.000 0.976 268 D CA 1.191 55.186 54.000 -0.009 0.000 0.853 268 D CB -0.338 40.527 40.800 0.108 0.000 0.939 268 D HN 0.498 nan 8.370 nan 0.000 0.481 269 F N 1.425 121.081 119.950 -0.490 0.000 2.060 269 F HA -0.206 -12.170 4.527 -27.485 0.000 0.295 269 F C 2.300 177.847 175.800 -0.421 0.000 1.120 269 F CA 1.092 58.604 58.000 -0.813 0.000 1.205 269 F CB -0.632 37.946 39.000 -0.704 0.000 0.986 269 F HN -0.043 nan 8.300 nan 0.000 0.470 270 C N 0.443 119.350 119.300 -0.654 0.000 2.401 270 C HA -0.203 -12.232 4.460 -27.482 0.000 0.276 270 C C 3.026 177.297 174.990 -1.199 0.000 1.233 270 C CA 1.614 60.008 59.018 -1.040 0.000 1.753 270 C CB -1.565 25.753 27.740 -0.703 0.000 2.029 270 C HN 0.634 nan 8.230 nan 0.000 0.478 271 S N -0.571 114.796 115.700 -0.555 0.000 2.370 271 S HA -0.224 -12.243 4.470 -27.482 0.000 0.226 271 S C 1.596 176.093 174.600 -0.172 0.000 1.033 271 S CA 1.659 59.708 58.200 -0.251 0.000 1.011 271 S CB -0.622 62.551 63.200 -0.045 0.000 0.852 271 S HN 0.748 nan 8.310 nan 0.000 0.457 272 Y N 2.031 122.185 120.300 -0.244 0.000 2.274 272 Y HA -0.104 -12.046 4.550 -27.486 0.000 0.290 272 Y C 1.824 177.612 175.900 -0.187 0.000 1.145 272 Y CA 1.031 59.068 58.100 -0.104 0.000 1.203 272 Y CB -0.185 38.339 38.460 0.106 0.000 0.984 272 Y HN 0.156 nan 8.280 nan 0.000 0.533 273 I N -0.757 119.543 120.570 -0.449 0.000 2.333 273 I HA -0.252 -12.572 4.170 -27.482 0.000 0.246 273 I C 2.062 178.088 176.117 -0.151 0.000 1.106 273 I CA 1.355 62.401 61.300 -0.423 0.000 1.411 273 I CB -1.555 36.059 38.000 -0.643 0.000 1.082 273 I HN 0.229 nan 8.210 nan 0.000 0.420 274 F N 0.887 120.746 119.950 -0.152 0.000 2.604 274 F HA -0.098 -12.060 4.527 -27.482 0.000 0.298 274 F C 2.248 178.080 175.800 0.053 0.000 1.131 274 F CA 0.243 58.199 58.000 -0.074 0.000 1.457 274 F CB -0.086 38.806 39.000 -0.181 0.000 1.095 274 F HN 0.061 nan 8.300 nan 0.000 0.574 275 S N -1.053 114.693 115.700 0.076 0.000 2.691 275 S HA -0.055 -12.074 4.470 -27.482 0.000 0.241 275 S C 1.629 176.167 174.600 -0.103 0.000 1.077 275 S CA -0.152 58.049 58.200 0.003 0.000 0.900 275 S CB -0.254 62.940 63.200 -0.010 0.000 0.805 275 S HN 0.315 nan 8.310 nan 0.000 0.529 276 N N 1.665 120.196 118.700 -0.283 0.000 2.376 276 N HA 0.104 -11.645 4.740 -27.482 0.000 0.177 276 N C -0.303 175.074 175.510 -0.221 0.000 1.024 276 N CA 0.278 53.111 53.050 -0.362 0.000 0.893 276 N CB 0.159 38.115 38.487 -0.886 0.000 0.980 276 N HN 0.158 nan 8.380 nan 0.000 0.439 277 S N 2.008 117.610 115.700 -0.163 0.000 2.488 277 S HA 0.129 -11.890 4.470 -27.482 0.000 0.278 277 S C -0.001 174.591 174.600 -0.014 0.000 1.259 277 S CA -0.259 57.918 58.200 -0.037 0.000 1.061 277 S CB 0.904 64.122 63.200 0.030 0.000 0.910 277 S HN 0.120 nan 8.310 nan 0.000 0.491 278 K N 2.142 122.550 120.400 0.013 0.000 2.126 278 K HA 0.258 -11.912 4.320 -27.482 0.000 0.257 278 K C 0.456 177.074 176.600 0.031 0.000 1.007 278 K CA -0.360 55.933 56.287 0.009 0.000 0.928 278 K CB 0.384 32.900 32.500 0.028 0.000 1.013 278 K HN 0.407 nan 8.250 nan 0.000 0.473 279 T N 2.099 116.672 114.554 0.030 0.000 2.888 279 T HA -0.004 -12.143 4.350 -27.482 0.000 0.301 279 T C 0.408 175.151 174.700 0.071 0.000 1.001 279 T CA 0.006 62.148 62.100 0.069 0.000 1.147 279 T CB 0.310 69.245 68.868 0.112 0.000 0.931 279 T HN 0.257 nan 8.240 nan 0.000 0.541 280 K N 3.365 123.816 120.400 0.084 0.000 2.484 280 K HA 0.104 -12.065 4.320 -27.482 0.000 0.280 280 K C 0.112 176.756 176.600 0.075 0.000 1.013 280 K CA 0.169 56.511 56.287 0.091 0.000 1.029 280 K CB 0.079 32.641 32.500 0.104 0.000 0.902 280 K HN 0.719 nan 8.250 nan 0.000 0.481 281 T N 2.155 116.754 114.554 0.075 0.000 2.893 281 T HA 0.466 -11.673 4.350 -27.482 0.000 0.293 281 T C 0.166 174.919 174.700 0.088 0.000 1.027 281 T CA -1.096 61.036 62.100 0.055 0.000 0.988 281 T CB 0.904 69.779 68.868 0.012 0.000 1.043 281 T HN 0.389 nan 8.240 nan 0.000 0.461 282 L N 1.285 122.566 121.223 0.097 0.000 2.682 282 L HA 0.451 -11.698 4.340 -27.482 0.000 0.209 282 L C 0.869 177.815 176.870 0.126 0.000 1.195 282 L CA -1.023 53.924 54.840 0.178 0.000 0.869 282 L CB 0.557 42.700 42.059 0.139 0.000 1.599 282 L HN 0.824 nan 8.230 nan 0.000 0.518 283 S N -0.399 115.456 115.700 0.259 0.000 2.549 283 S HA 0.367 -11.652 4.470 -27.482 0.000 0.279 283 S C 0.777 175.418 174.600 0.067 0.000 1.321 283 S CA 0.004 58.306 58.200 0.169 0.000 1.054 283 S CB 1.035 64.491 63.200 0.427 0.000 0.899 283 S HN 0.969 nan 8.310 nan 0.000 0.497 284 G N 1.413 110.215 108.800 0.003 0.000 2.217 284 G HA2 0.024 -12.506 3.960 -27.482 0.000 0.246 284 G HA3 0.024 -12.506 3.960 -27.482 0.000 0.246 284 G C 0.884 175.776 174.900 -0.014 0.000 0.990 284 G CA 0.147 45.249 45.100 0.005 0.000 0.627 284 G HN 2.177 nan 8.290 nan 0.000 0.522 285 G N -0.583 108.199 108.800 -0.031 0.000 2.142 285 G HA2 -0.143 -12.673 3.960 -27.482 0.000 0.225 285 G HA3 -0.143 -12.673 3.960 -27.482 0.000 0.225 285 G C 0.206 175.104 174.900 -0.002 0.000 1.015 285 G CA 0.252 45.336 45.100 -0.028 0.000 0.716 285 G HN 1.446 nan 8.290 nan 0.000 0.508 286 I N 1.432 122.008 120.570 0.011 0.000 2.396 286 I HA 0.192 -12.127 4.170 -27.482 0.000 0.289 286 I C 1.106 177.236 176.117 0.022 0.000 1.056 286 I CA -0.485 60.825 61.300 0.017 0.000 1.365 286 I CB 0.765 38.778 38.000 0.022 0.000 1.407 286 I HN 0.169 nan 8.210 nan 0.000 0.509 287 Q N 4.789 124.598 119.800 0.015 0.000 2.330 287 Q HA 0.167 -11.982 4.340 -27.482 0.000 0.279 287 Q C -0.548 175.462 176.000 0.017 0.000 1.024 287 Q CA -0.124 55.689 55.803 0.016 0.000 0.900 287 Q CB 1.258 29.996 28.738 0.001 0.000 1.221 287 Q HN 0.448 nan 8.270 nan 0.000 0.396 288 V N 4.257 124.189 119.914 0.030 0.000 2.432 288 V HA 0.145 -12.224 4.120 -27.482 0.000 0.275 288 V C 0.228 176.333 176.094 0.019 0.000 1.043 288 V CA -0.545 61.775 62.300 0.033 0.000 0.925 288 V CB 0.968 32.826 31.823 0.058 0.000 0.985 288 V HN 0.827 nan 8.190 nan 0.000 0.466 289 N N 3.883 122.588 118.700 0.008 0.000 2.619 289 N HA 0.428 -11.321 4.740 -27.482 0.000 0.294 289 N C 1.174 176.691 175.510 0.012 0.000 1.279 289 N CA -0.143 52.907 53.050 0.001 0.000 0.867 289 N CB 1.025 39.501 38.487 -0.018 0.000 1.329 289 N HN 0.453 nan 8.380 nan 0.000 0.557 290 G N 0.430 109.238 108.800 0.013 0.000 2.681 290 G HA2 -0.255 -12.784 3.960 -27.482 0.000 0.220 290 G HA3 -0.255 -12.784 3.960 -27.482 0.000 0.220 290 G C -0.830 174.076 174.900 0.009 0.000 1.210 290 G CA 1.407 46.518 45.100 0.018 0.000 0.783 290 G HN 0.693 nan 8.290 nan 0.000 0.609 291 P HA -0.069 nan 4.420 nan 0.000 0.220 291 P C 1.637 178.930 177.300 -0.011 0.000 1.148 291 P CA 1.227 64.323 63.100 -0.007 0.000 0.803 291 P CB -0.040 31.655 31.700 -0.008 0.000 0.782 292 R N -0.556 119.940 120.500 -0.006 0.000 2.115 292 R HA 0.002 -12.148 4.340 -27.482 0.000 0.226 292 R C 2.271 178.564 176.300 -0.011 0.000 1.100 292 R CA 0.698 56.793 56.100 -0.008 0.000 0.980 292 R CB -1.273 29.030 30.300 0.004 0.000 0.875 292 R HN 0.084 nan 8.270 nan 0.000 0.445 293 L N 0.482 121.707 121.223 0.004 0.000 2.179 293 L HA 0.028 -12.121 4.340 -27.482 0.000 0.208 293 L C 2.040 178.905 176.870 -0.008 0.000 1.096 293 L CA 1.583 56.431 54.840 0.013 0.000 0.779 293 L CB -0.333 41.751 42.059 0.042 0.000 0.922 293 L HN 0.263 nan 8.230 nan 0.000 0.443 294 E N -1.172 119.020 120.200 -0.013 0.000 2.077 294 E HA -0.214 -12.353 4.350 -27.482 0.000 0.193 294 E C 2.124 178.693 176.600 -0.052 0.000 0.989 294 E CA 1.387 57.773 56.400 -0.024 0.000 0.800 294 E CB 0.024 29.712 29.700 -0.020 0.000 0.746 294 E HN 0.471 nan 8.360 nan 0.000 0.452 295 S N 0.480 116.142 115.700 -0.063 0.000 2.359 295 S HA -0.117 -12.137 4.470 -27.482 0.000 0.224 295 S C 1.930 176.426 174.600 -0.173 0.000 1.035 295 S CA 0.955 59.098 58.200 -0.095 0.000 1.018 295 S CB -0.172 62.981 63.200 -0.079 0.000 0.876 295 S HN 0.282 nan 8.310 nan 0.000 0.448 296 L N 0.749 121.851 121.223 -0.201 0.000 2.141 296 L HA -0.056 -12.205 4.340 -27.482 0.000 0.209 296 L C 2.273 178.912 176.870 -0.385 0.000 1.094 296 L CA 0.722 55.311 54.840 -0.418 0.000 0.763 296 L CB -0.609 41.298 42.059 -0.254 0.000 0.908 296 L HN 0.207 nan 8.230 nan 0.000 0.437 297 V N 0.148 119.989 119.914 -0.121 0.000 2.307 297 V HA -0.268 -12.638 4.120 -27.482 0.000 0.245 297 V C 2.400 178.475 176.094 -0.033 0.000 1.045 297 V CA 1.563 63.856 62.300 -0.012 0.000 1.024 297 V CB -0.268 31.564 31.823 0.015 0.000 0.651 297 V HN 0.307 nan 8.190 nan 0.000 0.449 298 L N -0.503 120.678 121.223 -0.071 0.000 2.017 298 L HA -0.180 -12.329 4.340 -27.482 0.000 0.208 298 L C 2.657 179.482 176.870 -0.074 0.000 1.073 298 L CA 2.040 56.844 54.840 -0.060 0.000 0.745 298 L CB -0.915 41.107 42.059 -0.062 0.000 0.894 298 L HN 0.337 nan 8.230 nan 0.000 0.432 299 T N -1.199 113.261 114.554 -0.156 0.000 2.652 299 T HA -0.245 -12.384 4.350 -27.482 0.000 0.267 299 T C 1.718 176.392 174.700 -0.043 0.000 1.039 299 T CA 1.725 63.723 62.100 -0.170 0.000 1.153 299 T CB -0.439 68.221 68.868 -0.347 0.000 0.863 299 T HN 0.326 nan 8.240 nan 0.000 0.428 300 Y N 0.305 120.602 120.300 -0.006 0.000 2.263 300 Y HA -0.057 -11.991 4.550 -27.474 0.000 0.292 300 Y C 2.676 178.582 175.900 0.009 0.000 1.130 300 Y CA -0.102 58.002 58.100 0.006 0.000 1.179 300 Y CB -0.230 38.241 38.460 0.020 0.000 0.998 300 Y HN -0.002 nan 8.280 nan 0.000 0.532 301 V N 0.540 120.538 119.914 0.141 0.000 2.358 301 V HA -0.300 -12.669 4.120 -27.482 0.000 0.246 301 V C 1.996 178.096 176.094 0.010 0.000 1.047 301 V CA 2.117 64.452 62.300 0.059 0.000 1.035 301 V CB -0.643 31.197 31.823 0.028 0.000 0.658 301 V HN 0.445 nan 8.190 nan 0.000 0.452 302 N N 0.813 119.517 118.700 0.007 0.000 2.188 302 N HA -0.114 -11.863 4.740 -27.482 0.000 0.184 302 N C 1.648 177.153 175.510 -0.009 0.000 1.018 302 N CA 1.629 54.670 53.050 -0.014 0.000 0.858 302 N CB -0.249 38.225 38.487 -0.021 0.000 0.989 302 N HN 0.404 nan 8.380 nan 0.000 0.426 303 A N -0.158 122.681 122.820 0.032 0.000 2.014 303 A HA 0.073 -12.096 4.320 -27.482 0.000 0.218 303 A C 2.187 179.777 177.584 0.010 0.000 1.163 303 A CA 0.738 52.799 52.037 0.040 0.000 0.652 303 A CB -0.394 18.667 19.000 0.103 0.000 0.808 303 A HN 0.378 nan 8.150 nan 0.000 0.449 304 I N -0.285 120.272 120.570 -0.022 0.000 2.368 304 I HA -0.138 -12.457 4.170 -27.482 0.000 0.238 304 I C 2.747 178.693 176.117 -0.284 0.000 1.076 304 I CA 1.239 62.420 61.300 -0.198 0.000 1.397 304 I CB -0.319 37.566 38.000 -0.192 0.000 1.141 304 I HN 0.414 nan 8.210 nan 0.000 0.430 305 S N -0.387 115.198 115.700 -0.192 0.000 2.493 305 S HA -0.168 -12.187 4.470 -27.482 0.000 0.243 305 S C 1.987 176.510 174.600 -0.129 0.000 0.991 305 S CA 1.492 59.590 58.200 -0.169 0.000 0.957 305 S CB -0.514 62.620 63.200 -0.109 0.000 0.756 305 S HN 0.341 nan 8.310 nan 0.000 0.521 306 S N 0.854 116.490 115.700 -0.107 0.000 2.428 306 S HA 0.219 -11.800 4.470 -27.482 0.000 0.230 306 S C 1.565 176.116 174.600 -0.081 0.000 1.014 306 S CA 0.923 59.078 58.200 -0.075 0.000 0.957 306 S CB -1.180 61.990 63.200 -0.050 0.000 0.784 306 S HN 1.382 nan 8.310 nan 0.000 0.499 307 G N 1.484 110.213 108.800 -0.118 0.000 2.258 307 G HA2 -0.303 -12.832 3.960 -27.482 0.000 0.274 307 G HA3 -0.303 -12.832 3.960 -27.482 0.000 0.274 307 G C 0.316 175.190 174.900 -0.043 0.000 1.021 307 G CA 0.856 45.897 45.100 -0.099 0.000 0.798 307 G HN 0.568 nan 8.290 nan 0.000 0.507 308 D N -0.651 119.730 120.400 -0.032 0.000 2.458 308 D HA 0.207 -11.642 4.640 -27.482 0.000 0.252 308 D C 1.318 177.622 176.300 0.007 0.000 1.221 308 D CA 0.461 54.453 54.000 -0.013 0.000 0.985 308 D CB -0.056 40.733 40.800 -0.018 0.000 1.050 308 D HN 0.464 nan 8.370 nan 0.000 0.411 309 L N 1.037 122.268 121.223 0.013 0.000 2.912 309 L HA -0.110 -12.259 4.340 -27.482 0.000 0.582 309 L C -2.335 174.530 176.870 -0.008 0.000 1.001 309 L CA -0.068 54.785 54.840 0.021 0.000 1.305 309 L CB -1.440 40.665 42.059 0.077 0.000 1.620 309 L HN 0.303 nan 8.230 nan 0.000 0.785 310 P HA 0.132 nan 4.420 nan 0.000 0.276 310 P C -0.037 177.232 177.300 -0.052 0.000 1.235 310 P CA -0.318 62.756 63.100 -0.042 0.000 0.772 310 P CB 1.027 32.693 31.700 -0.057 0.000 0.871 311 C N 5.688 124.965 119.300 -0.039 0.000 2.145 311 C HA 0.331 -11.698 4.460 -27.482 0.000 0.374 311 C C 0.562 175.528 174.990 -0.041 0.000 1.035 311 C CA -0.414 58.580 59.018 -0.039 0.000 1.431 311 C CB -2.382 25.343 27.740 -0.025 0.000 1.789 311 C HN 0.507 nan 8.230 nan 0.000 0.483 312 M N 1.983 121.549 119.600 -0.056 0.000 2.363 312 M HA 0.541 -11.468 4.480 -27.482 0.000 0.280 312 M C 0.406 176.693 176.300 -0.022 0.000 1.182 312 M CA -0.378 54.895 55.300 -0.044 0.000 0.974 312 M CB -0.039 32.521 32.600 -0.067 0.000 1.452 312 M HN 0.165 nan 8.290 nan 0.000 0.507 313 E N 1.543 121.741 120.200 -0.003 0.000 2.437 313 E HA 0.011 -12.128 4.350 -27.482 0.000 0.263 313 E C -0.635 175.982 176.600 0.028 0.000 1.030 313 E CA 0.184 56.589 56.400 0.009 0.000 0.934 313 E CB 0.261 29.969 29.700 0.014 0.000 0.943 313 E HN 0.675 nan 8.360 nan 0.000 0.444 314 N N -0.009 118.690 118.700 -0.002 0.000 2.326 314 N HA 0.135 -11.615 4.740 -27.482 0.000 0.239 314 N C 0.057 175.522 175.510 -0.074 0.000 1.301 314 N CA 0.356 53.387 53.050 -0.032 0.000 0.909 314 N CB 0.475 38.935 38.487 -0.044 0.000 1.156 314 N HN 0.424 nan 8.380 nan 0.000 0.462 315 A N 0.993 123.698 122.820 -0.190 0.000 2.498 315 A HA 0.316 -11.853 4.320 -27.482 0.000 0.238 315 A C 0.294 177.875 177.584 -0.005 0.000 1.225 315 A CA -0.122 51.784 52.037 -0.218 0.000 0.978 315 A CB 0.101 18.664 19.000 -0.729 0.000 1.142 315 A HN 0.487 nan 8.150 nan 0.000 0.552 316 V N 0.000 119.902 119.914 -0.020 0.000 2.409 316 V HA 0.000 -12.369 4.120 -27.482 0.000 0.244 316 V CA 0.000 62.377 62.300 0.129 0.000 1.235 316 V CB 0.000 31.934 31.823 0.184 0.000 1.184 316 V HN 0.000 nan 8.190 nan 0.000 0.556