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 2nqq_1_A DATA FIRST_RESID 7 DATA SEQUENCE LMSLDTALNE MLSRVTPLTA QETLPLVQCF GRILASDVVS PLDVPGFDNS DATA SEQUENCE AMDGYAVRLA DIASGQPLPV AGKSFAGQPY HGEWPAGTCI RIMTGAPVPE DATA SEQUENCE GCEAVVMQEQ TEQMDNGVRF TAEVRSGQNI QRRGEDISAG AVVFPAGTRL DATA SEQUENCE TTAELPVIAS LGIAEVPVIR KVRVALFSTG DELQLPGQPL GDGQIYDTNR DATA SEQUENCE LAVHLMLEQL GCEVINLGII RDDPHALRAA FIEADSQADV VISSGGVSVG DATA SEQUENCE EADYTKTILE ELGEIAFWKL AIKPGKPFAF GKLSNSWFCG LPGNPVSATL DATA SEQUENCE TFYQLVQPLL AKLSGNTASG LPARQRVRTA SRLKKTPGRL DFQRGVLQRN DATA SEQUENCE ADGELEVTTT GHQGSHIFSS FSLGNCFIVL ERDRGNVEVG EWVEVEPFNA DATA SEQUENCE LFG 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 7 L HA 0.000 nan 4.340 nan 0.000 0.249 7 L C 0.000 176.868 176.870 -0.003 0.000 1.165 7 L CA 0.000 54.855 54.840 0.025 0.000 0.813 7 L CB 0.000 42.082 42.059 0.039 0.000 0.961 8 M N 1.999 121.589 119.600 -0.016 0.000 2.233 8 M HA 0.491 4.967 4.480 -0.006 0.000 0.355 8 M C 0.111 176.359 176.300 -0.088 0.000 1.191 8 M CA -0.186 55.062 55.300 -0.087 0.000 1.101 8 M CB 1.488 33.976 32.600 -0.187 0.000 1.592 8 M HN 0.361 nan 8.290 nan 0.000 0.461 9 S N 4.764 120.403 115.700 -0.101 0.000 2.603 9 S HA 0.167 4.633 4.470 -0.006 0.000 0.268 9 S C 0.930 175.466 174.600 -0.107 0.000 1.317 9 S CA -0.957 57.196 58.200 -0.078 0.000 1.012 9 S CB 1.109 64.268 63.200 -0.069 0.000 0.926 9 S HN 0.980 nan 8.310 nan 0.000 0.539 10 L N 0.501 121.687 121.223 -0.062 0.000 2.093 10 L HA -0.105 4.232 4.340 -0.006 0.000 0.208 10 L C 2.142 178.950 176.870 -0.102 0.000 1.085 10 L CA 2.402 57.202 54.840 -0.067 0.000 0.755 10 L CB -0.858 41.211 42.059 0.016 0.000 0.904 10 L HN 1.010 nan 8.230 nan 0.000 0.435 11 D N -1.069 119.281 120.400 -0.084 0.000 2.097 11 D HA -0.195 4.442 4.640 -0.006 0.000 0.197 11 D C 1.889 178.113 176.300 -0.128 0.000 0.984 11 D CA 1.815 55.762 54.000 -0.089 0.000 0.826 11 D CB 0.288 41.048 40.800 -0.066 0.000 0.973 11 D HN 0.182 nan 8.370 nan 0.000 0.460 12 T N -0.299 114.165 114.554 -0.151 0.000 2.684 12 T HA -0.165 4.182 4.350 -0.006 0.000 0.267 12 T C 1.929 176.454 174.700 -0.292 0.000 1.036 12 T CA 1.550 63.534 62.100 -0.194 0.000 1.148 12 T CB -0.561 68.183 68.868 -0.207 0.000 0.863 12 T HN 0.294 nan 8.240 nan 0.000 0.436 13 A N 1.136 123.729 122.820 -0.377 0.000 1.855 13 A HA 0.039 4.355 4.320 -0.006 0.000 0.215 13 A C 2.329 179.734 177.584 -0.297 0.000 1.191 13 A CA 1.140 52.843 52.037 -0.558 0.000 0.613 13 A CB -1.048 17.658 19.000 -0.491 0.000 0.829 13 A HN 0.446 nan 8.150 nan 0.000 0.442 14 L N -0.272 120.822 121.223 -0.215 0.000 2.010 14 L HA -0.337 3.999 4.340 -0.006 0.000 0.219 14 L C 2.315 179.082 176.870 -0.172 0.000 1.077 14 L CA 2.312 57.041 54.840 -0.187 0.000 0.773 14 L CB -0.526 41.443 42.059 -0.150 0.000 0.892 14 L HN 0.572 nan 8.230 nan 0.000 0.436 15 N N -1.256 117.354 118.700 -0.151 0.000 2.331 15 N HA -0.199 4.537 4.740 -0.006 0.000 0.180 15 N C 1.630 177.080 175.510 -0.099 0.000 1.019 15 N CA 0.626 53.607 53.050 -0.114 0.000 0.881 15 N CB 0.059 38.490 38.487 -0.094 0.000 0.972 15 N HN 0.320 nan 8.380 nan 0.000 0.435 16 E N 0.637 120.771 120.200 -0.110 0.000 2.208 16 E HA -0.043 4.303 4.350 -0.006 0.000 0.193 16 E C 1.797 178.392 176.600 -0.007 0.000 0.988 16 E CA 0.754 57.141 56.400 -0.021 0.000 0.828 16 E CB 0.210 29.924 29.700 0.023 0.000 0.763 16 E HN 0.315 nan 8.360 nan 0.000 0.478 17 M N -0.326 119.185 119.600 -0.149 0.000 2.098 17 M HA -0.104 4.373 4.480 -0.006 0.000 0.262 17 M C 2.074 178.205 176.300 -0.282 0.000 1.072 17 M CA 1.244 56.313 55.300 -0.385 0.000 1.133 17 M CB -0.109 32.112 32.600 -0.631 0.000 1.344 17 M HN 0.155 nan 8.290 nan 0.000 0.414 18 L N -0.353 120.740 121.223 -0.217 0.000 2.141 18 L HA -0.138 4.198 4.340 -0.006 0.000 0.209 18 L C 2.733 179.535 176.870 -0.113 0.000 1.094 18 L CA 1.269 56.005 54.840 -0.172 0.000 0.763 18 L CB -0.888 41.089 42.059 -0.137 0.000 0.908 18 L HN 0.425 nan 8.230 nan 0.000 0.437 19 S N 0.054 115.709 115.700 -0.075 0.000 2.423 19 S HA -0.122 4.345 4.470 -0.006 0.000 0.231 19 S C 2.031 176.635 174.600 0.006 0.000 1.014 19 S CA 0.514 58.699 58.200 -0.025 0.000 0.965 19 S CB -0.182 63.013 63.200 -0.008 0.000 0.785 19 S HN 0.400 nan 8.310 nan 0.000 0.495 20 R N 0.566 121.060 120.500 -0.010 0.000 2.200 20 R HA 0.253 4.590 4.340 -0.006 0.000 0.208 20 R C 0.168 176.511 176.300 0.071 0.000 1.033 20 R CA 0.241 56.381 56.100 0.067 0.000 1.000 20 R CB -0.473 29.878 30.300 0.086 0.000 0.906 20 R HN 0.336 nan 8.270 nan 0.000 0.462 21 V N 2.764 122.618 119.914 -0.100 0.000 2.508 21 V HA 0.051 4.167 4.120 -0.006 0.000 0.281 21 V C 0.298 176.439 176.094 0.079 0.000 1.041 21 V CA 0.321 62.580 62.300 -0.069 0.000 1.016 21 V CB 1.425 33.116 31.823 -0.221 0.000 0.984 21 V HN 0.125 nan 8.190 nan 0.000 0.478 22 T N 8.062 122.725 114.554 0.182 0.000 2.733 22 T HA 0.343 4.689 4.350 -0.006 0.000 0.294 22 T C -2.344 172.420 174.700 0.106 0.000 0.956 22 T CA -1.015 61.163 62.100 0.129 0.000 0.987 22 T CB 1.142 70.094 68.868 0.141 0.000 0.920 22 T HN 0.474 nan 8.240 nan 0.000 0.470 23 P HA 0.107 nan 4.420 nan 0.000 0.265 23 P C -0.227 177.105 177.300 0.053 0.000 1.187 23 P CA -0.628 62.499 63.100 0.046 0.000 0.766 23 P CB 0.354 32.068 31.700 0.024 0.000 0.820 24 L N 2.818 124.071 121.223 0.051 0.000 2.483 24 L HA 0.106 4.442 4.340 -0.006 0.000 0.275 24 L C 1.656 178.546 176.870 0.034 0.000 1.220 24 L CA 1.281 56.149 54.840 0.047 0.000 0.833 24 L CB -0.312 41.773 42.059 0.044 0.000 1.102 24 L HN 0.585 nan 8.230 nan 0.000 0.490 25 T N -1.914 112.659 114.554 0.031 0.000 2.966 25 T HA 0.395 4.742 4.350 -0.006 0.000 0.254 25 T C 0.613 175.325 174.700 0.021 0.000 0.961 25 T CA 0.273 62.388 62.100 0.024 0.000 0.915 25 T CB -0.041 68.841 68.868 0.024 0.000 1.186 25 T HN 0.571 nan 8.240 nan 0.000 0.505 26 A N 2.401 125.235 122.820 0.022 0.000 2.507 26 A HA 0.528 4.844 4.320 -0.006 0.000 0.235 26 A C 0.294 177.888 177.584 0.017 0.000 1.070 26 A CA -0.293 51.756 52.037 0.019 0.000 0.768 26 A CB 0.018 19.030 19.000 0.019 0.000 1.011 26 A HN 0.727 nan 8.150 nan 0.000 0.502 27 Q N 0.267 120.076 119.800 0.015 0.000 2.528 27 Q HA 0.737 5.074 4.340 -0.006 0.000 0.289 27 Q C -1.049 174.959 176.000 0.013 0.000 1.091 27 Q CA -0.945 54.866 55.803 0.013 0.000 0.797 27 Q CB 1.672 30.418 28.738 0.013 0.000 1.466 27 Q HN 0.812 nan 8.270 nan 0.000 0.436 28 E N -0.089 120.118 120.200 0.012 0.000 2.408 28 E HA 0.523 4.869 4.350 -0.006 0.000 0.275 28 E C -1.281 175.327 176.600 0.012 0.000 0.935 28 E CA -1.042 55.366 56.400 0.013 0.000 0.775 28 E CB 2.196 31.904 29.700 0.013 0.000 1.277 28 E HN 0.456 nan 8.360 nan 0.000 0.455 29 T N 2.405 116.967 114.554 0.013 0.000 2.770 29 T HA 0.411 4.757 4.350 -0.006 0.000 0.297 29 T C -0.381 174.327 174.700 0.014 0.000 0.997 29 T CA -0.463 61.645 62.100 0.013 0.000 0.949 29 T CB -0.005 68.871 68.868 0.013 0.000 0.941 29 T HN 0.268 nan 8.240 nan 0.000 0.457 30 L N 5.108 126.339 121.223 0.014 0.000 2.342 30 L HA 0.532 4.869 4.340 -0.006 0.000 0.271 30 L C -2.273 174.608 176.870 0.018 0.000 1.008 30 L CA -2.943 51.906 54.840 0.016 0.000 0.818 30 L CB 1.780 43.849 42.059 0.018 0.000 1.296 30 L HN 0.293 nan 8.230 nan 0.000 0.427 31 P HA 0.059 nan 4.420 nan 0.000 0.266 31 P C 0.804 178.119 177.300 0.025 0.000 1.195 31 P CA -0.084 63.029 63.100 0.022 0.000 0.768 31 P CB 0.589 32.302 31.700 0.021 0.000 0.838 32 L N 2.802 124.041 121.223 0.026 0.000 2.079 32 L HA -0.168 4.168 4.340 -0.006 0.000 0.210 32 L C 2.355 179.249 176.870 0.039 0.000 1.081 32 L CA 1.329 56.185 54.840 0.027 0.000 0.752 32 L CB -0.791 41.285 42.059 0.028 0.000 0.896 32 L HN 0.251 nan 8.230 nan 0.000 0.433 33 V N -0.271 119.667 119.914 0.040 0.000 2.867 33 V HA -0.252 3.864 4.120 -0.006 0.000 0.260 33 V C 1.956 178.085 176.094 0.058 0.000 1.099 33 V CA 1.679 64.009 62.300 0.049 0.000 1.122 33 V CB -0.252 31.593 31.823 0.036 0.000 0.708 33 V HN 0.558 nan 8.190 nan 0.000 0.490 34 Q N -2.170 117.660 119.800 0.050 0.000 2.282 34 Q HA 0.102 4.438 4.340 -0.006 0.000 0.206 34 Q C 1.622 177.658 176.000 0.061 0.000 0.878 34 Q CA 0.396 56.230 55.803 0.051 0.000 0.944 34 Q CB 0.353 29.112 28.738 0.035 0.000 1.100 34 Q HN 0.673 nan 8.270 nan 0.000 0.509 35 C N 0.379 119.715 119.300 0.060 0.000 2.791 35 C HA 0.197 4.654 4.460 -0.006 0.000 0.270 35 C C 0.716 175.723 174.990 0.028 0.000 1.257 35 C CA -0.792 58.244 59.018 0.030 0.000 1.699 35 C CB -1.298 26.437 27.740 -0.009 0.000 1.904 35 C HN 0.398 nan 8.230 nan 0.000 0.603 36 F N 1.553 121.488 119.950 -0.024 0.000 2.602 36 F HA 0.388 4.911 4.527 -0.006 0.000 0.385 36 F C 1.435 177.218 175.800 -0.028 0.000 1.063 36 F CA 1.981 59.963 58.000 -0.030 0.000 1.233 36 F CB 0.372 39.358 39.000 -0.023 0.000 1.067 36 F HN 0.467 nan 8.300 nan 0.000 0.564 37 G N 3.883 112.494 108.800 -0.314 0.000 2.205 37 G HA2 -0.270 3.686 3.960 -0.006 0.000 0.261 37 G HA3 -0.270 3.686 3.960 -0.006 0.000 0.261 37 G C 0.450 175.311 174.900 -0.065 0.000 0.980 37 G CA -0.162 44.887 45.100 -0.086 0.000 0.632 37 G HN 0.599 nan 8.290 nan 0.000 0.533 38 R N 0.111 120.567 120.500 -0.074 0.000 2.531 38 R HA 0.534 4.871 4.340 -0.006 0.000 0.273 38 R C 0.448 176.703 176.300 -0.075 0.000 1.070 38 R CA -0.751 55.320 56.100 -0.048 0.000 1.112 38 R CB 0.467 30.753 30.300 -0.023 0.000 1.049 38 R HN 0.195 nan 8.270 nan 0.000 0.508 39 I N 3.185 123.727 120.570 -0.048 0.000 2.312 39 I HA 0.197 4.364 4.170 -0.006 0.000 0.290 39 I C 0.853 176.951 176.117 -0.032 0.000 1.008 39 I CA -0.882 60.390 61.300 -0.047 0.000 1.226 39 I CB 0.420 38.401 38.000 -0.031 0.000 1.371 39 I HN 0.342 nan 8.210 nan 0.000 0.468 40 L N 5.121 126.321 121.223 -0.037 0.000 2.640 40 L HA -0.094 4.242 4.340 -0.006 0.000 0.280 40 L C 1.486 178.357 176.870 0.001 0.000 1.229 40 L CA 0.119 54.950 54.840 -0.014 0.000 0.919 40 L CB 0.901 42.959 42.059 -0.001 0.000 1.168 40 L HN 0.803 nan 8.230 nan 0.000 0.496 41 A N 3.120 125.944 122.820 0.006 0.000 2.021 41 A HA 0.103 4.420 4.320 -0.006 0.000 0.216 41 A C 0.780 178.373 177.584 0.015 0.000 1.163 41 A CA 0.572 52.615 52.037 0.010 0.000 0.676 41 A CB 0.116 19.123 19.000 0.011 0.000 0.818 41 A HN 0.674 nan 8.150 nan 0.000 0.453 42 S N 0.002 115.713 115.700 0.019 0.000 2.588 42 S HA 0.422 4.888 4.470 -0.006 0.000 0.275 42 S C -1.683 172.936 174.600 0.031 0.000 1.130 42 S CA -1.011 57.202 58.200 0.022 0.000 0.855 42 S CB 1.149 64.360 63.200 0.018 0.000 1.116 42 S HN 0.243 nan 8.310 nan 0.000 0.472 43 D N 1.729 122.147 120.400 0.029 0.000 2.586 43 D HA 0.104 4.741 4.640 -0.006 0.000 0.234 43 D C -0.241 176.082 176.300 0.039 0.000 1.132 43 D CA 0.416 54.437 54.000 0.034 0.000 0.860 43 D CB 0.256 41.065 40.800 0.016 0.000 1.159 43 D HN 0.196 nan 8.370 nan 0.000 0.490 44 V N 3.707 123.660 119.914 0.064 0.000 2.455 44 V HA 0.102 4.218 4.120 -0.006 0.000 0.273 44 V C 0.518 176.613 176.094 0.002 0.000 1.045 44 V CA -0.423 61.910 62.300 0.056 0.000 0.976 44 V CB 1.364 33.262 31.823 0.125 0.000 0.993 44 V HN 0.209 nan 8.190 nan 0.000 0.475 45 V N 4.669 124.579 119.914 -0.006 0.000 2.398 45 V HA 0.283 4.400 4.120 -0.006 0.000 0.286 45 V C 0.513 176.588 176.094 -0.031 0.000 1.026 45 V CA -0.291 61.993 62.300 -0.027 0.000 0.868 45 V CB 1.939 33.752 31.823 -0.016 0.000 0.982 45 V HN 0.901 nan 8.190 nan 0.000 0.443 46 S N 7.253 122.922 115.700 -0.052 0.000 2.525 46 S HA 0.161 4.627 4.470 -0.006 0.000 0.285 46 S C -0.987 173.594 174.600 -0.032 0.000 1.283 46 S CA -0.748 57.423 58.200 -0.049 0.000 1.072 46 S CB 0.749 63.907 63.200 -0.070 0.000 0.867 46 S HN 0.716 nan 8.310 nan 0.000 0.492 47 P HA 0.155 nan 4.420 nan 0.000 0.249 47 P C 0.083 177.372 177.300 -0.019 0.000 1.229 47 P CA 0.302 63.393 63.100 -0.015 0.000 0.788 47 P CB -0.279 31.418 31.700 -0.005 0.000 1.072 48 L N -3.959 117.246 121.223 -0.030 0.000 2.630 48 L HA 0.691 5.027 4.340 -0.006 0.000 0.258 48 L C -1.740 175.095 176.870 -0.058 0.000 1.072 48 L CA -1.051 53.767 54.840 -0.037 0.000 0.885 48 L CB 1.450 43.492 42.059 -0.029 0.000 1.502 48 L HN -0.449 nan 8.230 nan 0.000 0.406 49 D N 1.154 121.512 120.400 -0.070 0.000 2.210 49 D HA 0.593 5.229 4.640 -0.006 0.000 0.249 49 D C -0.723 175.491 176.300 -0.143 0.000 1.078 49 D CA 0.107 54.051 54.000 -0.094 0.000 0.875 49 D CB 2.300 43.047 40.800 -0.087 0.000 1.175 49 D HN 0.403 nan 8.370 nan 0.000 0.440 50 V N 4.828 124.656 119.914 -0.144 0.000 2.482 50 V HA 0.343 4.460 4.120 -0.006 0.000 0.295 50 V C -2.191 173.803 176.094 -0.167 0.000 1.026 50 V CA -1.537 60.657 62.300 -0.177 0.000 0.856 50 V CB 2.018 33.768 31.823 -0.121 0.000 1.001 50 V HN 0.438 nan 8.190 nan 0.000 0.424 51 P HA 0.201 nan 4.420 nan 0.000 0.276 51 P C 0.843 177.790 177.300 -0.588 0.000 1.261 51 P CA -0.097 62.720 63.100 -0.472 0.000 0.800 51 P CB 1.264 32.676 31.700 -0.481 0.000 1.066 52 G N -0.321 107.873 108.800 -1.010 0.000 2.920 52 G HA2 0.226 4.182 3.960 -0.006 0.000 0.208 52 G HA3 0.226 4.182 3.960 -0.006 0.000 0.208 52 G C -0.246 174.441 174.900 -0.355 0.000 1.159 52 G CA 0.064 44.815 45.100 -0.581 0.000 0.784 52 G HN 0.540 nan 8.290 nan 0.000 0.535 53 F N -1.796 118.167 119.950 0.022 0.000 2.672 53 F HA 0.384 4.908 4.527 -0.006 0.000 0.311 53 F C -1.446 174.368 175.800 0.023 0.000 1.113 53 F CA -2.797 55.219 58.000 0.028 0.000 0.996 53 F CB 0.152 39.173 39.000 0.035 0.000 1.286 53 F HN -0.290 nan 8.300 nan 0.000 0.441 54 D N 2.749 123.285 120.400 0.226 0.000 2.581 54 D HA 0.111 4.748 4.640 -0.006 0.000 0.238 54 D C -0.215 176.227 176.300 0.237 0.000 1.145 54 D CA 0.837 54.935 54.000 0.163 0.000 0.866 54 D CB 0.242 41.114 40.800 0.121 0.000 1.151 54 D HN 0.865 nan 8.370 nan 0.000 0.500 55 N N -0.807 118.007 118.700 0.190 0.000 2.571 55 N HA 0.395 5.131 4.740 -0.006 0.000 0.273 55 N C -1.055 174.513 175.510 0.098 0.000 1.340 55 N CA -0.998 52.171 53.050 0.200 0.000 0.789 55 N CB 1.566 40.248 38.487 0.325 0.000 1.514 55 N HN 0.134 nan 8.380 nan 0.000 0.499 56 S N -0.783 114.956 115.700 0.065 0.000 2.537 56 S HA 0.435 4.901 4.470 -0.006 0.000 0.275 56 S C 0.801 175.412 174.600 0.018 0.000 1.272 56 S CA -0.347 57.869 58.200 0.028 0.000 1.050 56 S CB 0.740 63.938 63.200 -0.003 0.000 0.961 56 S HN 0.692 nan 8.310 nan 0.000 0.496 57 A N 4.497 127.325 122.820 0.013 0.000 2.251 57 A HA 0.444 4.760 4.320 -0.006 0.000 0.209 57 A C 0.479 178.059 177.584 -0.007 0.000 1.187 57 A CA 0.255 52.295 52.037 0.006 0.000 0.823 57 A CB -0.298 18.707 19.000 0.009 0.000 0.846 57 A HN 0.783 nan 8.150 nan 0.000 0.486 58 M N -0.647 118.943 119.600 -0.017 0.000 2.520 58 M HA 0.330 4.806 4.480 -0.006 0.000 0.280 58 M C -2.142 174.121 176.300 -0.062 0.000 1.232 58 M CA -0.577 54.706 55.300 -0.029 0.000 0.892 58 M CB 2.019 34.615 32.600 -0.007 0.000 1.728 58 M HN -0.017 nan 8.290 nan 0.000 0.475 59 D N 1.747 122.096 120.400 -0.084 0.000 2.308 59 D HA 0.699 5.336 4.640 -0.006 0.000 0.251 59 D C 0.279 176.488 176.300 -0.151 0.000 1.127 59 D CA 0.730 54.646 54.000 -0.141 0.000 0.876 59 D CB 1.397 42.109 40.800 -0.147 0.000 1.176 59 D HN 0.792 nan 8.370 nan 0.000 0.446 60 G N 0.880 109.526 108.800 -0.258 0.000 2.601 60 G HA2 0.145 4.101 3.960 -0.006 0.000 0.080 60 G HA3 0.145 4.101 3.960 -0.006 0.000 0.080 60 G C -1.741 172.770 174.900 -0.648 0.000 1.046 60 G CA -0.615 44.278 45.100 -0.345 0.000 1.143 60 G HN 0.347 nan 8.290 nan 0.000 0.507 61 Y N 0.548 120.904 120.300 0.092 0.000 2.470 61 Y HA 0.722 5.269 4.550 -0.006 0.000 0.341 61 Y C 0.335 176.273 175.900 0.063 0.000 1.021 61 Y CA -0.311 57.853 58.100 0.106 0.000 1.025 61 Y CB 2.430 41.055 38.460 0.275 0.000 1.266 61 Y HN 0.811 nan 8.280 nan 0.000 0.448 62 A N 2.739 125.624 122.820 0.110 0.000 2.290 62 A HA 0.830 5.146 4.320 -0.006 0.000 0.310 62 A C -0.439 177.223 177.584 0.131 0.000 1.202 62 A CA -0.404 51.658 52.037 0.040 0.000 0.837 62 A CB 0.256 19.183 19.000 -0.121 0.000 1.139 62 A HN 0.926 nan 8.150 nan 0.000 0.509 63 V N 0.384 120.425 119.914 0.211 0.000 3.182 63 V HA 0.792 4.908 4.120 -0.006 0.000 0.308 63 V C -0.629 175.586 176.094 0.201 0.000 1.240 63 V CA -1.309 61.135 62.300 0.241 0.000 1.063 63 V CB 1.789 33.519 31.823 -0.156 0.000 1.076 63 V HN 0.902 nan 8.190 nan 0.000 0.446 64 R N 0.497 121.010 120.500 0.021 0.000 2.637 64 R HA 0.614 4.950 4.340 -0.006 0.000 0.291 64 R C 0.636 176.870 176.300 -0.109 0.000 0.963 64 R CA -0.800 55.242 56.100 -0.096 0.000 0.901 64 R CB 2.139 32.281 30.300 -0.263 0.000 1.160 64 R HN 0.756 nan 8.270 nan 0.000 0.457 65 L N 1.529 122.701 121.223 -0.085 0.000 2.127 65 L HA -0.221 4.116 4.340 -0.006 0.000 0.211 65 L C 2.369 179.191 176.870 -0.080 0.000 1.089 65 L CA 1.746 56.541 54.840 -0.075 0.000 0.757 65 L CB -0.416 41.613 42.059 -0.050 0.000 0.899 65 L HN 0.825 nan 8.230 nan 0.000 0.434 66 A N -0.266 122.501 122.820 -0.089 0.000 1.930 66 A HA -0.196 4.120 4.320 -0.006 0.000 0.217 66 A C 1.925 179.460 177.584 -0.082 0.000 1.175 66 A CA 1.746 53.735 52.037 -0.081 0.000 0.627 66 A CB -0.373 18.574 19.000 -0.089 0.000 0.815 66 A HN 0.359 nan 8.150 nan 0.000 0.443 67 D N 0.199 120.536 120.400 -0.104 0.000 2.117 67 D HA -0.104 4.533 4.640 -0.006 0.000 0.198 67 D C 1.890 178.142 176.300 -0.080 0.000 0.982 67 D CA 0.860 54.807 54.000 -0.087 0.000 0.828 67 D CB -0.276 40.468 40.800 -0.094 0.000 0.967 67 D HN 0.324 nan 8.370 nan 0.000 0.464 68 I N 1.532 122.028 120.570 -0.123 0.000 2.226 68 I HA -0.201 3.965 4.170 -0.006 0.000 0.245 68 I C 2.486 178.578 176.117 -0.042 0.000 1.100 68 I CA 0.660 61.892 61.300 -0.112 0.000 1.374 68 I CB -1.186 36.723 38.000 -0.152 0.000 1.057 68 I HN -0.118 nan 8.210 nan 0.000 0.413 69 A N 0.655 123.450 122.820 -0.042 0.000 1.972 69 A HA -0.132 4.184 4.320 -0.006 0.000 0.219 69 A C 1.729 179.306 177.584 -0.013 0.000 1.169 69 A CA 1.285 53.308 52.037 -0.024 0.000 0.635 69 A CB -0.721 18.262 19.000 -0.029 0.000 0.810 69 A HN 0.524 nan 8.150 nan 0.000 0.446 70 S N 0.723 116.413 115.700 -0.016 0.000 3.919 70 S HA 0.377 4.843 4.470 -0.006 0.000 0.245 70 S C 0.868 175.476 174.600 0.013 0.000 1.344 70 S CA 0.012 58.210 58.200 -0.004 0.000 0.896 70 S CB -0.421 62.774 63.200 -0.008 0.000 1.557 70 S HN 0.739 nan 8.310 nan 0.000 0.468 71 G N 3.147 111.959 108.800 0.021 0.000 3.058 71 G HA2 -0.007 3.950 3.960 -0.006 0.000 0.228 71 G HA3 -0.007 3.950 3.960 -0.006 0.000 0.228 71 G C 0.299 175.227 174.900 0.046 0.000 0.914 71 G CA -0.108 45.017 45.100 0.043 0.000 1.822 71 G HN 0.663 nan 8.290 nan 0.000 0.567 72 Q N 0.325 120.153 119.800 0.048 0.000 2.230 72 Q HA 0.289 4.626 4.340 -0.006 0.000 0.253 72 Q C -2.234 173.810 176.000 0.074 0.000 0.919 72 Q CA -2.180 53.649 55.803 0.044 0.000 0.908 72 Q CB 1.907 30.664 28.738 0.031 0.000 1.245 72 Q HN 0.127 nan 8.270 nan 0.000 0.437 73 P HA 0.066 nan 4.420 nan 0.000 0.267 73 P C -0.642 176.704 177.300 0.076 0.000 1.200 73 P CA 0.280 63.408 63.100 0.047 0.000 0.772 73 P CB 0.478 32.171 31.700 -0.011 0.000 0.855 74 L N 4.287 125.583 121.223 0.122 0.000 2.319 74 L HA 0.405 4.741 4.340 -0.006 0.000 0.281 74 L C -2.321 174.599 176.870 0.082 0.000 1.005 74 L CA -2.622 52.304 54.840 0.144 0.000 0.828 74 L CB 1.773 43.989 42.059 0.262 0.000 1.227 74 L HN 0.115 nan 8.230 nan 0.000 0.415 75 P HA 0.012 nan 4.420 nan 0.000 0.268 75 P C -0.392 176.945 177.300 0.062 0.000 1.205 75 P CA -0.205 62.923 63.100 0.046 0.000 0.771 75 P CB 0.686 32.415 31.700 0.049 0.000 0.858 76 V N 3.166 123.106 119.914 0.044 0.000 2.439 76 V HA 0.181 4.298 4.120 -0.006 0.000 0.271 76 V C 1.458 177.569 176.094 0.028 0.000 1.040 76 V CA 0.590 62.921 62.300 0.052 0.000 1.002 76 V CB 0.115 31.990 31.823 0.086 0.000 1.000 76 V HN 0.699 nan 8.190 nan 0.000 0.477 77 A N 3.965 126.778 122.820 -0.012 0.000 2.195 77 A HA 0.662 4.978 4.320 -0.006 0.000 0.210 77 A C 1.051 178.608 177.584 -0.045 0.000 1.165 77 A CA 0.791 52.825 52.037 -0.005 0.000 0.806 77 A CB 0.018 19.041 19.000 0.038 0.000 0.847 77 A HN 1.241 nan 8.150 nan 0.000 0.482 78 G N -0.837 107.873 108.800 -0.149 0.000 2.315 78 G HA2 0.461 4.417 3.960 -0.006 0.000 0.294 78 G HA3 0.461 4.417 3.960 -0.006 0.000 0.294 78 G C -1.825 172.961 174.900 -0.190 0.000 1.300 78 G CA -0.685 44.340 45.100 -0.123 0.000 0.843 78 G HN 0.304 nan 8.290 nan 0.000 0.527 79 K N -0.856 119.501 120.400 -0.071 0.000 2.469 79 K HA 0.760 5.077 4.320 -0.006 0.000 0.254 79 K C -0.993 175.612 176.600 0.008 0.000 0.939 79 K CA -0.909 55.337 56.287 -0.067 0.000 0.812 79 K CB 2.402 34.786 32.500 -0.192 0.000 1.301 79 K HN 0.650 nan 8.250 nan 0.000 0.433 80 S N 1.579 117.328 115.700 0.081 0.000 2.532 80 S HA 0.579 5.045 4.470 -0.006 0.000 0.299 80 S C -0.895 173.898 174.600 0.322 0.000 1.105 80 S CA -0.555 57.703 58.200 0.097 0.000 1.018 80 S CB 0.492 63.677 63.200 -0.024 0.000 1.021 80 S HN 0.608 nan 8.310 nan 0.000 0.483 81 F N 3.013 122.913 119.950 -0.084 0.000 2.531 81 F HA 0.645 5.169 4.527 -0.006 0.000 0.273 81 F C 1.710 177.480 175.800 -0.051 0.000 0.960 81 F CA 0.682 58.644 58.000 -0.063 0.000 1.207 81 F CB 0.202 39.174 39.000 -0.047 0.000 1.012 81 F HN 0.811 nan 8.300 nan 0.000 0.738 82 A N -0.948 121.934 122.820 0.104 0.000 3.567 82 A HA 0.129 4.445 4.320 -0.006 0.000 0.204 82 A C 1.779 179.383 177.584 0.033 0.000 1.299 82 A CA 0.465 52.527 52.037 0.041 0.000 1.177 82 A CB -1.657 17.365 19.000 0.037 0.000 0.818 82 A HN 0.288 nan 8.150 nan 0.000 0.393 83 G N 0.247 109.082 108.800 0.060 0.000 2.683 83 G HA2 0.319 4.275 3.960 -0.006 0.000 0.213 83 G HA3 0.319 4.275 3.960 -0.006 0.000 0.213 83 G C 0.606 175.521 174.900 0.024 0.000 1.142 83 G CA 1.138 46.264 45.100 0.043 0.000 0.793 83 G HN 0.886 nan 8.290 nan 0.000 0.534 84 Q N 0.983 120.802 119.800 0.031 0.000 2.798 84 Q HA 0.319 4.656 4.340 -0.006 0.000 0.250 84 Q C -3.006 172.964 176.000 -0.049 0.000 1.006 84 Q CA -2.187 53.615 55.803 -0.001 0.000 0.759 84 Q CB 2.112 30.844 28.738 -0.009 0.000 1.201 84 Q HN 0.095 nan 8.270 nan 0.000 0.486 85 P HA -0.068 nan 4.420 nan 0.000 0.270 85 P C -0.935 176.148 177.300 -0.360 0.000 1.223 85 P CA -0.107 62.819 63.100 -0.291 0.000 0.785 85 P CB 0.520 31.939 31.700 -0.468 0.000 0.923 86 Y N 1.976 122.027 120.300 -0.415 0.000 2.436 86 Y HA 0.110 4.656 4.550 -0.006 0.000 0.343 86 Y C 1.161 176.819 175.900 -0.403 0.000 1.008 86 Y CA 0.449 58.350 58.100 -0.332 0.000 1.241 86 Y CB 0.183 38.488 38.460 -0.258 0.000 1.153 86 Y HN 0.387 nan 8.280 nan 0.000 0.521 87 H N 3.410 122.161 119.070 -0.532 0.000 2.893 87 H HA 0.247 4.800 4.556 -0.006 0.000 0.270 87 H C 1.052 176.089 175.328 -0.485 0.000 1.095 87 H CA 0.390 56.216 56.048 -0.370 0.000 1.186 87 H CB 0.426 30.060 29.762 -0.214 0.000 1.562 87 H HN 0.838 nan 8.280 nan 0.000 0.536 88 G N 1.186 109.428 108.800 -0.930 0.000 2.570 88 G HA2 0.180 4.136 3.960 -0.006 0.000 0.276 88 G HA3 0.180 4.136 3.960 -0.006 0.000 0.276 88 G C -0.146 174.699 174.900 -0.093 0.000 1.346 88 G CA -0.531 44.251 45.100 -0.530 0.000 1.034 88 G HN 0.310 nan 8.290 nan 0.000 0.512 89 E N -1.573 118.705 120.200 0.130 0.000 2.331 89 E HA 0.293 4.640 4.350 -0.006 0.000 0.272 89 E C -1.178 175.712 176.600 0.483 0.000 1.036 89 E CA -0.753 55.805 56.400 0.264 0.000 0.864 89 E CB 1.287 31.085 29.700 0.163 0.000 1.035 89 E HN 0.392 nan 8.360 nan 0.000 0.408 90 W N 5.978 127.403 121.300 0.208 0.000 2.394 90 W HA 0.390 5.046 4.660 -0.006 0.000 0.312 90 W C -2.641 173.913 176.519 0.058 0.000 0.981 90 W CA -3.152 54.269 57.345 0.127 0.000 1.519 90 W CB 0.370 29.884 29.460 0.089 0.000 1.304 90 W HN 0.546 nan 8.180 nan 0.000 0.412 91 P HA 0.371 nan 4.420 nan 0.000 0.276 91 P C -0.146 177.127 177.300 -0.045 0.000 1.244 91 P CA -0.280 62.863 63.100 0.072 0.000 0.801 91 P CB 0.809 32.572 31.700 0.105 0.000 1.006 92 A N 0.818 123.585 122.820 -0.087 0.000 2.547 92 A HA 0.366 4.683 4.320 -0.006 0.000 0.233 92 A C 1.522 179.086 177.584 -0.033 0.000 1.067 92 A CA 0.823 52.796 52.037 -0.106 0.000 0.763 92 A CB -1.474 17.478 19.000 -0.080 0.000 1.007 92 A HN 1.015 nan 8.150 nan 0.000 0.506 93 G N 0.424 109.203 108.800 -0.035 0.000 2.189 93 G HA2 -0.171 3.785 3.960 -0.006 0.000 0.267 93 G HA3 -0.171 3.785 3.960 -0.006 0.000 0.267 93 G C 0.558 175.503 174.900 0.075 0.000 0.975 93 G CA 1.603 46.713 45.100 0.016 0.000 0.644 93 G HN 2.331 nan 8.290 nan 0.000 0.537 94 T N -2.315 112.321 114.554 0.137 0.000 2.940 94 T HA 0.743 5.090 4.350 -0.006 0.000 0.288 94 T C 0.528 175.463 174.700 0.391 0.000 1.045 94 T CA -0.081 62.159 62.100 0.233 0.000 1.018 94 T CB 2.515 71.535 68.868 0.254 0.000 1.151 94 T HN 1.581 nan 8.240 nan 0.000 0.529 95 C N 0.571 120.044 119.300 0.287 0.000 2.973 95 C HA 0.896 5.353 4.460 -0.006 0.000 0.329 95 C C -1.002 173.957 174.990 -0.052 0.000 1.327 95 C CA -1.112 58.059 59.018 0.255 0.000 1.632 95 C CB 0.519 28.425 27.740 0.277 0.000 2.098 95 C HN 0.862 nan 8.230 nan 0.000 0.469 96 I N 1.896 122.328 120.570 -0.231 0.000 2.436 96 I HA 0.443 4.609 4.170 -0.006 0.000 0.289 96 I C 0.195 176.262 176.117 -0.085 0.000 1.010 96 I CA -0.249 60.812 61.300 -0.397 0.000 1.098 96 I CB 1.393 38.848 38.000 -0.908 0.000 1.266 96 I HN 0.912 nan 8.210 nan 0.000 0.434 97 R N 5.918 126.414 120.500 -0.007 0.000 2.522 97 R HA 0.405 4.742 4.340 -0.006 0.000 0.284 97 R C -1.083 175.183 176.300 -0.056 0.000 1.032 97 R CA 0.530 56.608 56.100 -0.038 0.000 1.049 97 R CB 0.358 30.690 30.300 0.053 0.000 0.956 97 R HN 0.715 nan 8.270 nan 0.000 0.422 98 I N 5.224 125.707 120.570 -0.145 0.000 2.619 98 I HA 0.314 4.480 4.170 -0.006 0.000 0.292 98 I C -1.065 174.947 176.117 -0.174 0.000 1.100 98 I CA -0.966 60.276 61.300 -0.096 0.000 1.043 98 I CB 1.652 39.595 38.000 -0.096 0.000 1.239 98 I HN 0.613 nan 8.210 nan 0.000 0.420 99 M N 4.128 123.604 119.600 -0.206 0.000 2.573 99 M HA 0.363 4.839 4.480 -0.006 0.000 0.309 99 M C 0.155 176.356 176.300 -0.164 0.000 1.202 99 M CA -0.540 54.579 55.300 -0.301 0.000 0.975 99 M CB 1.094 33.367 32.600 -0.546 0.000 1.600 99 M HN 0.485 nan 8.290 nan 0.000 0.479 100 T N 1.700 116.169 114.554 -0.141 0.000 2.934 100 T HA 0.289 4.635 4.350 -0.006 0.000 0.306 100 T C 1.210 175.883 174.700 -0.044 0.000 1.042 100 T CA 1.440 63.496 62.100 -0.074 0.000 1.145 100 T CB 0.199 69.028 68.868 -0.066 0.000 0.982 100 T HN 0.950 nan 8.240 nan 0.000 0.544 101 G N 1.759 110.563 108.800 0.006 0.000 2.234 101 G HA2 -0.147 3.809 3.960 -0.006 0.000 0.260 101 G HA3 -0.147 3.809 3.960 -0.006 0.000 0.260 101 G C 0.320 175.287 174.900 0.111 0.000 0.987 101 G CA 0.042 45.180 45.100 0.062 0.000 0.625 101 G HN 1.221 nan 8.290 nan 0.000 0.532 102 A N 1.706 124.550 122.820 0.040 0.000 2.388 102 A HA 0.677 4.993 4.320 -0.006 0.000 0.257 102 A C -1.566 176.031 177.584 0.022 0.000 1.095 102 A CA -0.793 51.252 52.037 0.014 0.000 0.791 102 A CB 0.446 19.440 19.000 -0.011 0.000 1.029 102 A HN 0.238 nan 8.150 nan 0.000 0.489 103 P HA 0.073 nan 4.420 nan 0.000 0.267 103 P C -0.117 177.152 177.300 -0.052 0.000 1.205 103 P CA 0.162 63.186 63.100 -0.128 0.000 0.765 103 P CB 0.534 31.927 31.700 -0.512 0.000 0.828 104 V N 6.986 126.918 119.914 0.031 0.000 2.585 104 V HA 0.086 4.202 4.120 -0.006 0.000 0.296 104 V C -1.332 174.771 176.094 0.016 0.000 1.035 104 V CA -1.083 61.228 62.300 0.018 0.000 1.084 104 V CB 0.310 32.172 31.823 0.066 0.000 0.953 104 V HN 0.628 nan 8.190 nan 0.000 0.483 105 P HA 0.154 nan 4.420 nan 0.000 0.272 105 P C -0.845 176.584 177.300 0.214 0.000 1.230 105 P CA -0.550 62.572 63.100 0.037 0.000 0.788 105 P CB 0.442 32.035 31.700 -0.177 0.000 0.949 106 E N 0.296 120.652 120.200 0.259 0.000 2.415 106 E HA 0.316 4.663 4.350 -0.006 0.000 0.263 106 E C 1.275 178.069 176.600 0.323 0.000 0.995 106 E CA 0.178 56.726 56.400 0.248 0.000 0.915 106 E CB -0.927 28.890 29.700 0.196 0.000 0.951 106 E HN 0.829 nan 8.360 nan 0.000 0.449 107 G N 1.815 110.740 108.800 0.210 0.000 2.217 107 G HA2 -0.365 3.591 3.960 -0.006 0.000 0.246 107 G HA3 -0.365 3.591 3.960 -0.006 0.000 0.246 107 G C 0.457 175.448 174.900 0.152 0.000 0.990 107 G CA -0.216 44.953 45.100 0.115 0.000 0.627 107 G HN 1.090 nan 8.290 nan 0.000 0.522 108 C N 1.327 120.870 119.300 0.405 0.000 2.596 108 C HA 0.507 4.964 4.460 -0.006 0.000 0.414 108 C C 1.686 176.785 174.990 0.180 0.000 1.396 108 C CA 1.037 60.303 59.018 0.414 0.000 1.698 108 C CB -0.077 27.872 27.740 0.348 0.000 2.572 108 C HN 0.563 nan 8.230 nan 0.000 0.604 109 E N 2.737 123.011 120.200 0.123 0.000 2.476 109 E HA 0.373 4.719 4.350 -0.006 0.000 0.199 109 E C 0.360 176.992 176.600 0.054 0.000 1.021 109 E CA 0.407 56.843 56.400 0.060 0.000 0.907 109 E CB 0.592 30.300 29.700 0.014 0.000 0.974 109 E HN 0.854 nan 8.360 nan 0.000 0.489 110 A N 0.145 123.009 122.820 0.073 0.000 2.597 110 A HA 0.500 4.816 4.320 -0.006 0.000 0.292 110 A C -1.524 176.099 177.584 0.065 0.000 1.057 110 A CA -0.638 51.431 52.037 0.052 0.000 0.674 110 A CB 1.361 20.375 19.000 0.023 0.000 1.278 110 A HN -0.037 nan 8.150 nan 0.000 0.416 111 V N 1.071 121.021 119.914 0.060 0.000 2.495 111 V HA 0.572 4.689 4.120 -0.006 0.000 0.298 111 V C -0.430 175.722 176.094 0.096 0.000 1.031 111 V CA -0.592 61.752 62.300 0.073 0.000 0.871 111 V CB 1.613 33.464 31.823 0.047 0.000 0.988 111 V HN 0.756 nan 8.190 nan 0.000 0.432 112 V N 6.031 126.044 119.914 0.166 0.000 2.370 112 V HA 0.398 4.515 4.120 -0.006 0.000 0.283 112 V C 0.401 176.625 176.094 0.217 0.000 1.023 112 V CA -0.599 61.834 62.300 0.222 0.000 0.857 112 V CB 1.571 33.627 31.823 0.389 0.000 0.985 112 V HN 0.980 nan 8.190 nan 0.000 0.443 113 M N 4.055 123.738 119.600 0.139 0.000 2.249 113 M HA 0.210 4.686 4.480 -0.006 0.000 0.340 113 M C 1.461 177.839 176.300 0.130 0.000 1.166 113 M CA 0.032 55.387 55.300 0.091 0.000 1.115 113 M CB 0.499 33.130 32.600 0.052 0.000 1.606 113 M HN 0.809 nan 8.290 nan 0.000 0.448 114 Q N 2.707 122.553 119.800 0.078 0.000 2.197 114 Q HA -0.282 4.055 4.340 -0.006 0.000 0.211 114 Q C 1.038 177.092 176.000 0.090 0.000 0.993 114 Q CA 2.840 58.707 55.803 0.106 0.000 0.883 114 Q CB -0.660 28.084 28.738 0.011 0.000 0.916 114 Q HN 0.989 nan 8.270 nan 0.000 0.418 115 E N 0.633 120.867 120.200 0.056 0.000 2.110 115 E HA -0.166 4.180 4.350 -0.006 0.000 0.193 115 E C 0.612 177.236 176.600 0.039 0.000 0.988 115 E CA 1.294 57.717 56.400 0.038 0.000 0.804 115 E CB 0.088 29.805 29.700 0.029 0.000 0.745 115 E HN 0.713 nan 8.360 nan 0.000 0.458 116 Q N 0.027 119.863 119.800 0.061 0.000 2.819 116 Q HA 0.242 4.578 4.340 -0.006 0.000 0.392 116 Q C -0.850 175.177 176.000 0.044 0.000 1.088 116 Q CA -0.034 55.803 55.803 0.057 0.000 1.062 116 Q CB 0.984 29.768 28.738 0.077 0.000 1.369 116 Q HN -0.188 nan 8.270 nan 0.000 0.434 117 T N 1.287 115.828 114.554 -0.022 0.000 4.058 117 T HA 0.072 4.419 4.350 -0.006 0.000 0.297 117 T C -1.385 173.208 174.700 -0.178 0.000 0.675 117 T CA -0.567 61.428 62.100 -0.174 0.000 0.974 117 T CB 0.645 69.418 68.868 -0.160 0.000 1.115 117 T HN 0.255 nan 8.240 nan 0.000 0.480 118 E N 3.040 123.135 120.200 -0.175 0.000 2.216 118 E HA 0.367 4.713 4.350 -0.006 0.000 0.279 118 E C 0.250 176.739 176.600 -0.185 0.000 0.997 118 E CA -0.790 55.531 56.400 -0.131 0.000 0.817 118 E CB 1.286 30.939 29.700 -0.079 0.000 1.096 118 E HN 0.615 nan 8.360 nan 0.000 0.393 119 Q N 2.476 122.189 119.800 -0.146 0.000 2.180 119 Q HA 0.473 4.809 4.340 -0.006 0.000 0.241 119 Q C -0.378 175.565 176.000 -0.095 0.000 0.970 119 Q CA -0.532 55.178 55.803 -0.155 0.000 0.919 119 Q CB 1.336 29.991 28.738 -0.139 0.000 1.222 119 Q HN 0.353 nan 8.270 nan 0.000 0.482 120 M N 0.448 119.997 119.600 -0.086 0.000 2.788 120 M HA 0.328 4.804 4.480 -0.006 0.000 0.291 120 M C 0.198 176.474 176.300 -0.039 0.000 1.213 120 M CA -0.725 54.543 55.300 -0.053 0.000 0.768 120 M CB 0.381 32.952 32.600 -0.048 0.000 1.766 120 M HN 0.489 nan 8.290 nan 0.000 0.460 121 D N 0.858 121.243 120.400 -0.025 0.000 2.183 121 D HA -0.070 4.567 4.640 -0.006 0.000 0.203 121 D C 1.166 177.458 176.300 -0.013 0.000 0.969 121 D CA 1.411 55.402 54.000 -0.015 0.000 0.842 121 D CB -0.166 40.629 40.800 -0.010 0.000 0.957 121 D HN 0.784 nan 8.370 nan 0.000 0.484 122 N N -0.514 118.177 118.700 -0.015 0.000 2.235 122 N HA 0.267 5.003 4.740 -0.006 0.000 0.209 122 N C 0.712 176.216 175.510 -0.010 0.000 1.122 122 N CA 0.041 53.086 53.050 -0.008 0.000 0.845 122 N CB 0.963 39.448 38.487 -0.002 0.000 1.004 122 N HN 0.072 nan 8.380 nan 0.000 0.499 123 G N -0.345 108.436 108.800 -0.031 0.000 2.340 123 G HA2 0.050 4.006 3.960 -0.006 0.000 0.282 123 G HA3 0.050 4.006 3.960 -0.006 0.000 0.282 123 G C -1.735 173.092 174.900 -0.122 0.000 1.312 123 G CA -0.739 44.333 45.100 -0.047 0.000 0.942 123 G HN 0.028 nan 8.290 nan 0.000 0.495 124 V N 0.999 120.800 119.914 -0.189 0.000 2.432 124 V HA 0.612 4.728 4.120 -0.006 0.000 0.275 124 V C 0.823 176.622 176.094 -0.492 0.000 1.043 124 V CA -0.353 61.668 62.300 -0.465 0.000 0.925 124 V CB 1.251 32.566 31.823 -0.846 0.000 0.985 124 V HN 0.838 nan 8.190 nan 0.000 0.466 125 R N 4.292 124.501 120.500 -0.485 0.000 2.265 125 R HA 0.463 4.799 4.340 -0.006 0.000 0.319 125 R C -1.487 174.532 176.300 -0.469 0.000 1.006 125 R CA -0.426 55.502 56.100 -0.286 0.000 0.880 125 R CB 0.608 30.819 30.300 -0.147 0.000 1.077 125 R HN 0.509 nan 8.270 nan 0.000 0.454 126 F N 3.241 123.165 119.950 -0.044 0.000 2.361 126 F HA 0.200 4.723 4.527 -0.006 0.000 0.364 126 F C 1.424 177.220 175.800 -0.008 0.000 1.120 126 F CA -0.523 57.463 58.000 -0.024 0.000 1.102 126 F CB 2.147 41.138 39.000 -0.014 0.000 1.183 126 F HN 0.657 nan 8.300 nan 0.000 0.476 127 T N -0.479 114.127 114.554 0.086 0.000 3.065 127 T HA 0.542 4.888 4.350 -0.006 0.000 0.252 127 T C 0.595 175.333 174.700 0.063 0.000 1.099 127 T CA 0.314 62.443 62.100 0.048 0.000 1.063 127 T CB 0.076 68.949 68.868 0.009 0.000 0.948 127 T HN 0.486 nan 8.240 nan 0.000 0.506 128 A N 0.963 123.838 122.820 0.092 0.000 2.435 128 A HA 0.666 4.982 4.320 -0.006 0.000 0.296 128 A C -0.313 177.317 177.584 0.075 0.000 1.147 128 A CA -0.985 51.096 52.037 0.073 0.000 0.775 128 A CB 1.135 20.175 19.000 0.068 0.000 1.340 128 A HN 0.451 nan 8.150 nan 0.000 0.427 129 E N 0.370 120.601 120.200 0.052 0.000 2.452 129 E HA 0.306 4.652 4.350 -0.006 0.000 0.261 129 E C -1.150 175.476 176.600 0.043 0.000 0.987 129 E CA -0.010 56.414 56.400 0.040 0.000 0.926 129 E CB 0.425 30.142 29.700 0.028 0.000 0.934 129 E HN 0.308 nan 8.360 nan 0.000 0.452 130 V N 5.995 125.927 119.914 0.029 0.000 2.370 130 V HA 0.368 4.485 4.120 -0.006 0.000 0.283 130 V C 0.077 176.176 176.094 0.007 0.000 1.023 130 V CA -0.560 61.750 62.300 0.017 0.000 0.857 130 V CB 1.266 33.079 31.823 -0.017 0.000 0.985 130 V HN 0.693 nan 8.190 nan 0.000 0.443 131 R N 2.381 122.889 120.500 0.013 0.000 2.604 131 R HA 0.504 4.840 4.340 -0.006 0.000 0.287 131 R C 0.155 176.461 176.300 0.009 0.000 0.970 131 R CA -0.507 55.599 56.100 0.009 0.000 0.946 131 R CB 1.712 32.020 30.300 0.013 0.000 1.127 131 R HN 0.682 nan 8.270 nan 0.000 0.473 132 S N 0.757 116.460 115.700 0.005 0.000 2.575 132 S HA 0.159 4.625 4.470 -0.006 0.000 0.295 132 S C 1.255 175.863 174.600 0.014 0.000 1.267 132 S CA 1.499 59.703 58.200 0.007 0.000 1.074 132 S CB 0.067 63.269 63.200 0.004 0.000 0.829 132 S HN 0.858 nan 8.310 nan 0.000 0.497 133 G N 3.178 111.991 108.800 0.021 0.000 2.176 133 G HA2 -0.271 3.685 3.960 -0.006 0.000 0.253 133 G HA3 -0.271 3.685 3.960 -0.006 0.000 0.253 133 G C -0.012 174.904 174.900 0.027 0.000 0.979 133 G CA 0.412 45.527 45.100 0.025 0.000 0.641 133 G HN 1.106 nan 8.290 nan 0.000 0.530 134 Q N 0.229 120.046 119.800 0.027 0.000 2.311 134 Q HA 0.500 4.836 4.340 -0.006 0.000 0.272 134 Q C 0.724 176.744 176.000 0.033 0.000 1.012 134 Q CA 0.218 56.038 55.803 0.028 0.000 0.891 134 Q CB 0.387 29.143 28.738 0.030 0.000 1.201 134 Q HN 0.284 nan 8.270 nan 0.000 0.391 135 N N 1.572 120.289 118.700 0.029 0.000 2.741 135 N HA -0.172 4.564 4.740 -0.006 0.000 0.250 135 N C -1.238 174.290 175.510 0.029 0.000 1.115 135 N CA 1.073 54.139 53.050 0.027 0.000 0.724 135 N CB -1.330 37.175 38.487 0.031 0.000 1.090 135 N HN 0.685 nan 8.380 nan 0.000 0.558 136 I N 0.791 121.380 120.570 0.031 0.000 2.406 136 I HA 0.170 4.336 4.170 -0.006 0.000 0.290 136 I C 0.483 176.619 176.117 0.031 0.000 0.999 136 I CA -0.475 60.847 61.300 0.037 0.000 1.124 136 I CB 2.076 40.104 38.000 0.046 0.000 1.289 136 I HN -0.050 nan 8.210 nan 0.000 0.441 137 Q N 7.137 126.956 119.800 0.031 0.000 2.331 137 Q HA 0.396 4.733 4.340 -0.006 0.000 0.257 137 Q C -0.736 175.277 176.000 0.022 0.000 0.957 137 Q CA -0.777 55.037 55.803 0.018 0.000 0.923 137 Q CB 1.062 29.805 28.738 0.009 0.000 1.212 137 Q HN 0.550 nan 8.270 nan 0.000 0.443 138 R N 2.706 123.214 120.500 0.012 0.000 2.531 138 R HA 0.241 4.577 4.340 -0.006 0.000 0.273 138 R C 0.155 176.445 176.300 -0.016 0.000 1.070 138 R CA -0.641 55.467 56.100 0.013 0.000 1.112 138 R CB 0.583 30.892 30.300 0.013 0.000 1.049 138 R HN 0.630 nan 8.270 nan 0.000 0.508 139 R N 0.522 121.011 120.500 -0.018 0.000 2.566 139 R HA -0.096 4.241 4.340 -0.006 0.000 0.273 139 R C 0.613 176.875 176.300 -0.064 0.000 0.981 139 R CA 1.570 57.631 56.100 -0.065 0.000 1.091 139 R CB -0.075 30.204 30.300 -0.035 0.000 0.924 139 R HN 0.917 nan 8.270 nan 0.000 0.411 140 G N 3.037 111.780 108.800 -0.094 0.000 2.205 140 G HA2 -0.337 3.619 3.960 -0.006 0.000 0.261 140 G HA3 -0.337 3.619 3.960 -0.006 0.000 0.261 140 G C 0.720 175.583 174.900 -0.063 0.000 0.980 140 G CA 0.537 45.592 45.100 -0.076 0.000 0.632 140 G HN 0.774 nan 8.290 nan 0.000 0.533 141 E N -0.168 119.998 120.200 -0.056 0.000 2.204 141 E HA -0.047 4.300 4.350 -0.006 0.000 0.194 141 E C 1.982 178.554 176.600 -0.047 0.000 0.989 141 E CA 1.065 57.440 56.400 -0.043 0.000 0.824 141 E CB -0.023 29.659 29.700 -0.029 0.000 0.756 141 E HN 0.523 nan 8.360 nan 0.000 0.477 142 D N -0.110 120.254 120.400 -0.059 0.000 2.107 142 D HA -0.000 4.636 4.640 -0.006 0.000 0.204 142 D C 0.286 176.543 176.300 -0.072 0.000 0.978 142 D CA 0.909 54.874 54.000 -0.059 0.000 0.852 142 D CB 0.396 41.160 40.800 -0.059 0.000 1.008 142 D HN -0.007 nan 8.370 nan 0.000 0.458 143 I N 0.014 120.534 120.570 -0.084 0.000 2.545 143 I HA 0.219 4.385 4.170 -0.006 0.000 0.292 143 I C -0.478 175.589 176.117 -0.084 0.000 1.040 143 I CA -0.828 60.417 61.300 -0.093 0.000 1.068 143 I CB 2.198 40.134 38.000 -0.106 0.000 1.251 143 I HN -0.124 nan 8.210 nan 0.000 0.424 144 S N 3.886 119.540 115.700 -0.076 0.000 2.489 144 S HA 0.727 5.193 4.470 -0.006 0.000 0.291 144 S C -0.049 174.516 174.600 -0.059 0.000 1.151 144 S CA -0.571 57.592 58.200 -0.062 0.000 1.082 144 S CB 1.260 64.429 63.200 -0.052 0.000 1.019 144 S HN 0.684 nan 8.310 nan 0.000 0.492 145 A N 2.910 125.700 122.820 -0.050 0.000 2.520 145 A HA 0.503 4.819 4.320 -0.006 0.000 0.245 145 A C 1.501 179.064 177.584 -0.036 0.000 1.072 145 A CA 0.472 52.485 52.037 -0.041 0.000 0.761 145 A CB -1.134 17.847 19.000 -0.032 0.000 1.004 145 A HN 2.118 nan 8.150 nan 0.000 0.499 146 G N 0.874 109.653 108.800 -0.035 0.000 2.217 146 G HA2 0.137 4.094 3.960 -0.006 0.000 0.246 146 G HA3 0.137 4.094 3.960 -0.006 0.000 0.246 146 G C 0.603 175.480 174.900 -0.038 0.000 0.990 146 G CA 0.414 45.496 45.100 -0.030 0.000 0.627 146 G HN 2.188 nan 8.290 nan 0.000 0.522 147 A N 0.223 123.012 122.820 -0.051 0.000 2.371 147 A HA 0.685 5.001 4.320 -0.006 0.000 0.257 147 A C 0.713 178.252 177.584 -0.075 0.000 1.089 147 A CA 0.235 52.234 52.037 -0.062 0.000 0.794 147 A CB 0.997 19.951 19.000 -0.076 0.000 1.029 147 A HN 1.149 nan 8.150 nan 0.000 0.488 148 V N 3.674 123.544 119.914 -0.073 0.000 2.479 148 V HA 0.038 4.155 4.120 -0.006 0.000 0.281 148 V C 1.223 177.222 176.094 -0.158 0.000 1.031 148 V CA 0.250 62.499 62.300 -0.083 0.000 1.038 148 V CB 0.729 32.520 31.823 -0.053 0.000 0.981 148 V HN 0.722 nan 8.190 nan 0.000 0.478 149 V N 5.183 124.955 119.914 -0.237 0.000 2.492 149 V HA 0.191 4.307 4.120 -0.006 0.000 0.241 149 V C 0.326 175.926 176.094 -0.823 0.000 1.041 149 V CA 1.087 63.073 62.300 -0.523 0.000 1.057 149 V CB -0.181 31.309 31.823 -0.554 0.000 0.711 149 V HN 0.664 nan 8.190 nan 0.000 0.468 150 F N 1.345 121.284 119.950 -0.019 0.000 2.539 150 F HA 0.547 5.070 4.527 -0.006 0.000 0.318 150 F C -2.641 173.147 175.800 -0.020 0.000 1.135 150 F CA -2.482 55.505 58.000 -0.022 0.000 0.915 150 F CB 2.162 41.146 39.000 -0.027 0.000 1.176 150 F HN -0.084 nan 8.300 nan 0.000 0.440 151 P HA 0.201 nan 4.420 nan 0.000 0.277 151 P C -0.638 176.705 177.300 0.071 0.000 1.240 151 P CA -0.324 62.825 63.100 0.081 0.000 0.798 151 P CB 1.007 32.739 31.700 0.053 0.000 0.979 152 A N 1.708 124.554 122.820 0.044 0.000 2.598 152 A HA 0.326 4.643 4.320 -0.006 0.000 0.239 152 A C 1.503 179.098 177.584 0.019 0.000 1.032 152 A CA 1.161 53.214 52.037 0.027 0.000 0.760 152 A CB -1.654 17.358 19.000 0.020 0.000 0.946 152 A HN 0.933 nan 8.150 nan 0.000 0.512 153 G N 1.720 110.523 108.800 0.006 0.000 2.213 153 G HA2 -0.179 3.777 3.960 -0.006 0.000 0.226 153 G HA3 -0.179 3.777 3.960 -0.006 0.000 0.226 153 G C 0.429 175.317 174.900 -0.020 0.000 0.992 153 G CA 0.275 45.371 45.100 -0.006 0.000 0.632 153 G HN 1.267 nan 8.290 nan 0.000 0.511 154 T N 1.704 116.247 114.554 -0.018 0.000 2.853 154 T HA 0.385 4.731 4.350 -0.006 0.000 0.298 154 T C 0.641 175.278 174.700 -0.105 0.000 0.978 154 T CA 0.076 62.144 62.100 -0.054 0.000 1.152 154 T CB 1.157 69.996 68.868 -0.049 0.000 0.914 154 T HN 0.474 nan 8.240 nan 0.000 0.539 155 R N 3.417 123.841 120.500 -0.127 0.000 2.316 155 R HA 0.286 4.622 4.340 -0.006 0.000 0.314 155 R C -0.447 175.695 176.300 -0.264 0.000 1.069 155 R CA -0.417 55.583 56.100 -0.166 0.000 0.959 155 R CB 0.115 30.330 30.300 -0.143 0.000 0.987 155 R HN 0.571 nan 8.270 nan 0.000 0.446 156 L N 3.387 124.430 121.223 -0.299 0.000 2.326 156 L HA 0.370 4.706 4.340 -0.006 0.000 0.278 156 L C 0.648 177.157 176.870 -0.601 0.000 1.092 156 L CA 0.041 54.648 54.840 -0.387 0.000 0.810 156 L CB 1.679 43.567 42.059 -0.284 0.000 1.153 156 L HN 0.707 nan 8.230 nan 0.000 0.439 157 T N -0.615 113.591 114.554 -0.581 0.000 2.647 157 T HA 0.180 4.527 4.350 -0.006 0.000 0.295 157 T C 0.920 175.441 174.700 -0.299 0.000 1.126 157 T CA -0.265 61.379 62.100 -0.760 0.000 1.040 157 T CB 1.599 70.141 68.868 -0.544 0.000 1.472 157 T HN 0.639 nan 8.240 nan 0.000 0.500 158 T N 1.512 116.054 114.554 -0.019 0.000 2.881 158 T HA -0.005 4.342 4.350 -0.006 0.000 0.270 158 T C 2.016 176.714 174.700 -0.003 0.000 1.068 158 T CA 1.303 63.446 62.100 0.072 0.000 1.131 158 T CB -0.515 68.447 68.868 0.157 0.000 0.871 158 T HN 0.636 nan 8.240 nan 0.000 0.479 159 A N 1.161 123.952 122.820 -0.048 0.000 2.024 159 A HA -0.116 4.200 4.320 -0.006 0.000 0.220 159 A C 2.123 179.659 177.584 -0.079 0.000 1.164 159 A CA 1.595 53.603 52.037 -0.047 0.000 0.643 159 A CB -0.244 18.721 19.000 -0.059 0.000 0.806 159 A HN 0.486 nan 8.150 nan 0.000 0.451 160 E N -1.193 118.881 120.200 -0.210 0.000 2.354 160 E HA 0.251 4.598 4.350 -0.006 0.000 0.203 160 E C 1.788 178.280 176.600 -0.179 0.000 0.841 160 E CA 0.049 56.205 56.400 -0.407 0.000 1.046 160 E CB -0.208 28.911 29.700 -0.968 0.000 1.040 160 E HN 0.427 nan 8.360 nan 0.000 0.504 161 L N 1.475 122.612 121.223 -0.143 0.000 2.012 161 L HA -0.121 4.216 4.340 -0.006 0.000 0.210 161 L C -0.763 176.120 176.870 0.023 0.000 1.073 161 L CA 1.501 56.312 54.840 -0.048 0.000 0.748 161 L CB -1.209 40.830 42.059 -0.035 0.000 0.891 161 L HN 0.164 nan 8.230 nan 0.000 0.431 162 P HA -0.122 nan 4.420 nan 0.000 0.217 162 P C 1.906 179.250 177.300 0.074 0.000 1.150 162 P CA 1.067 64.198 63.100 0.051 0.000 0.832 162 P CB 0.024 31.752 31.700 0.047 0.000 0.787 163 V N -0.225 119.758 119.914 0.114 0.000 2.343 163 V HA -0.235 3.881 4.120 -0.006 0.000 0.247 163 V C 2.390 178.570 176.094 0.144 0.000 1.051 163 V CA 1.638 64.028 62.300 0.151 0.000 1.036 163 V CB -1.120 30.871 31.823 0.280 0.000 0.654 163 V HN 0.043 nan 8.190 nan 0.000 0.451 164 I N 0.654 121.333 120.570 0.182 0.000 2.226 164 I HA -0.250 3.916 4.170 -0.006 0.000 0.245 164 I C 2.676 178.840 176.117 0.077 0.000 1.100 164 I CA 1.530 62.912 61.300 0.138 0.000 1.374 164 I CB -0.641 37.439 38.000 0.135 0.000 1.057 164 I HN 0.282 nan 8.210 nan 0.000 0.413 165 A N 0.680 123.539 122.820 0.065 0.000 1.978 165 A HA -0.243 4.073 4.320 -0.006 0.000 0.220 165 A C 2.449 180.059 177.584 0.044 0.000 1.170 165 A CA 2.223 54.289 52.037 0.049 0.000 0.636 165 A CB -0.807 18.220 19.000 0.045 0.000 0.810 165 A HN 0.552 nan 8.150 nan 0.000 0.448 166 S N -0.437 115.291 115.700 0.047 0.000 2.489 166 S HA 0.079 4.546 4.470 -0.006 0.000 0.228 166 S C 1.451 176.065 174.600 0.024 0.000 0.995 166 S CA 0.903 59.125 58.200 0.036 0.000 0.934 166 S CB -0.508 62.712 63.200 0.033 0.000 0.771 166 S HN 0.469 nan 8.310 nan 0.000 0.522 167 L N 0.866 122.104 121.223 0.025 0.000 2.591 167 L HA 0.327 4.663 4.340 -0.006 0.000 0.228 167 L C 1.831 178.712 176.870 0.018 0.000 1.133 167 L CA 0.355 55.202 54.840 0.012 0.000 0.880 167 L CB -0.821 41.243 42.059 0.009 0.000 1.033 167 L HN 0.582 nan 8.230 nan 0.000 0.450 168 G N 1.016 109.832 108.800 0.026 0.000 2.143 168 G HA2 -0.274 3.682 3.960 -0.006 0.000 0.249 168 G HA3 -0.274 3.682 3.960 -0.006 0.000 0.249 168 G C 0.146 175.062 174.900 0.026 0.000 0.981 168 G CA -0.271 44.845 45.100 0.027 0.000 0.665 168 G HN 0.300 nan 8.290 nan 0.000 0.528 169 I N 0.987 121.575 120.570 0.029 0.000 2.325 169 I HA 0.494 4.661 4.170 -0.006 0.000 0.291 169 I C 1.466 177.601 176.117 0.031 0.000 1.019 169 I CA 0.112 61.430 61.300 0.030 0.000 1.302 169 I CB 1.539 39.559 38.000 0.034 0.000 1.401 169 I HN 0.136 nan 8.210 nan 0.000 0.485 170 A N 5.866 128.702 122.820 0.026 0.000 2.095 170 A HA 0.112 4.429 4.320 -0.006 0.000 0.212 170 A C 0.563 178.161 177.584 0.024 0.000 1.162 170 A CA 0.530 52.583 52.037 0.025 0.000 0.753 170 A CB 0.018 19.031 19.000 0.022 0.000 0.840 170 A HN 0.799 nan 8.150 nan 0.000 0.468 171 E N -0.974 119.240 120.200 0.023 0.000 2.413 171 E HA 0.581 4.928 4.350 -0.006 0.000 0.277 171 E C -1.079 175.534 176.600 0.022 0.000 0.958 171 E CA -0.944 55.469 56.400 0.021 0.000 0.779 171 E CB 1.950 31.662 29.700 0.019 0.000 1.278 171 E HN 0.306 nan 8.360 nan 0.000 0.456 172 V N -2.714 117.212 119.914 0.019 0.000 3.007 172 V HA 0.672 4.788 4.120 -0.006 0.000 0.311 172 V C -2.821 173.281 176.094 0.014 0.000 1.120 172 V CA -2.737 59.575 62.300 0.019 0.000 0.980 172 V CB 1.619 33.455 31.823 0.021 0.000 1.033 172 V HN 0.662 nan 8.190 nan 0.000 0.429 173 P HA 0.405 nan 4.420 nan 0.000 0.282 173 P C -0.547 176.758 177.300 0.009 0.000 1.262 173 P CA 0.016 63.123 63.100 0.012 0.000 0.773 173 P CB 1.317 33.025 31.700 0.014 0.000 0.879 174 V N 1.961 121.879 119.914 0.006 0.000 2.962 174 V HA 0.474 4.590 4.120 -0.006 0.000 0.313 174 V C 0.113 176.210 176.094 0.005 0.000 1.099 174 V CA -1.365 60.936 62.300 0.000 0.000 0.971 174 V CB 1.896 33.716 31.823 -0.005 0.000 1.028 174 V HN 0.209 nan 8.190 nan 0.000 0.430 175 I N 3.151 123.723 120.570 0.003 0.000 2.683 175 I HA 0.147 4.314 4.170 -0.006 0.000 0.286 175 I C 1.291 177.414 176.117 0.011 0.000 1.175 175 I CA 0.402 61.707 61.300 0.008 0.000 1.429 175 I CB 0.019 38.023 38.000 0.007 0.000 1.371 175 I HN 1.020 nan 8.210 nan 0.000 0.569 176 R N 5.880 126.389 120.500 0.015 0.000 2.697 176 R HA 0.038 4.374 4.340 -0.006 0.000 0.265 176 R C -0.164 176.148 176.300 0.018 0.000 1.009 176 R CA -0.281 55.829 56.100 0.017 0.000 1.099 176 R CB 0.339 30.651 30.300 0.019 0.000 0.965 176 R HN 0.438 nan 8.270 nan 0.000 0.428 177 K N 1.588 122.000 120.400 0.019 0.000 2.518 177 K HA 0.001 4.317 4.320 -0.006 0.000 0.276 177 K C -0.206 176.409 176.600 0.025 0.000 0.974 177 K CA -0.193 56.106 56.287 0.020 0.000 0.986 177 K CB 0.600 33.111 32.500 0.019 0.000 0.901 177 K HN 0.335 nan 8.250 nan 0.000 0.497 178 V N 3.526 123.456 119.914 0.027 0.000 2.637 178 V HA 0.068 4.184 4.120 -0.006 0.000 0.296 178 V C 0.531 176.646 176.094 0.034 0.000 1.046 178 V CA 0.041 62.363 62.300 0.037 0.000 1.066 178 V CB 0.712 32.559 31.823 0.040 0.000 0.968 178 V HN 0.638 nan 8.190 nan 0.000 0.483 179 R N 2.924 123.449 120.500 0.042 0.000 2.387 179 R HA 0.713 5.050 4.340 -0.006 0.000 0.314 179 R C -1.461 174.864 176.300 0.041 0.000 0.958 179 R CA -0.519 55.600 56.100 0.033 0.000 0.846 179 R CB 1.964 32.284 30.300 0.032 0.000 1.147 179 R HN 0.544 nan 8.270 nan 0.000 0.447 180 V N 2.337 122.265 119.914 0.023 0.000 2.525 180 V HA 0.541 4.657 4.120 -0.006 0.000 0.299 180 V C -0.238 175.862 176.094 0.010 0.000 1.034 180 V CA -0.960 61.357 62.300 0.029 0.000 0.863 180 V CB 1.706 33.546 31.823 0.027 0.000 0.999 180 V HN 0.915 nan 8.190 nan 0.000 0.423 181 A N 5.404 128.249 122.820 0.041 0.000 2.303 181 A HA 0.920 5.236 4.320 -0.006 0.000 0.317 181 A C -0.805 176.801 177.584 0.036 0.000 1.149 181 A CA -0.530 51.542 52.037 0.058 0.000 0.822 181 A CB 1.145 20.213 19.000 0.115 0.000 1.131 181 A HN 0.832 nan 8.150 nan 0.000 0.493 182 L N 2.349 123.605 121.223 0.056 0.000 2.455 182 L HA 0.817 5.154 4.340 -0.006 0.000 0.264 182 L C -1.653 175.288 176.870 0.117 0.000 0.968 182 L CA -0.639 54.187 54.840 -0.023 0.000 0.827 182 L CB 1.844 43.871 42.059 -0.053 0.000 1.317 182 L HN 0.968 nan 8.230 nan 0.000 0.407 183 F N 1.128 121.063 119.950 -0.025 0.000 2.773 183 F HA 0.773 5.296 4.527 -0.006 0.000 0.314 183 F C -1.041 174.758 175.800 -0.002 0.000 1.160 183 F CA -0.715 57.271 58.000 -0.024 0.000 0.920 183 F CB 1.402 40.364 39.000 -0.063 0.000 1.323 183 F HN 0.386 nan 8.300 nan 0.000 0.457 184 S N -0.243 115.628 115.700 0.285 0.000 2.661 184 S HA 0.883 5.350 4.470 -0.006 0.000 0.285 184 S C -1.159 173.594 174.600 0.255 0.000 1.138 184 S CA -0.491 57.824 58.200 0.190 0.000 0.855 184 S CB 1.929 65.188 63.200 0.098 0.000 1.136 184 S HN 1.181 nan 8.310 nan 0.000 0.484 185 T N -0.898 113.770 114.554 0.191 0.000 2.868 185 T HA 0.782 5.128 4.350 -0.006 0.000 0.306 185 T C -0.713 174.058 174.700 0.118 0.000 1.224 185 T CA 0.353 62.550 62.100 0.162 0.000 1.012 185 T CB 1.188 70.174 68.868 0.197 0.000 1.221 185 T HN 2.264 nan 8.240 nan 0.000 0.499 186 G N 2.673 111.538 108.800 0.108 0.000 2.542 186 G HA2 0.205 4.162 3.960 -0.006 0.000 0.391 186 G HA3 0.205 4.162 3.960 -0.006 0.000 0.391 186 G C 0.048 174.988 174.900 0.066 0.000 1.551 186 G CA 0.310 45.461 45.100 0.084 0.000 0.946 186 G HN 0.773 nan 8.290 nan 0.000 0.662 187 D N 1.586 122.022 120.400 0.061 0.000 2.219 187 D HA -0.134 4.503 4.640 -0.006 0.000 0.205 187 D C 1.867 178.180 176.300 0.022 0.000 0.970 187 D CA 1.393 55.417 54.000 0.041 0.000 0.851 187 D CB -0.030 40.794 40.800 0.039 0.000 0.943 187 D HN 0.655 nan 8.370 nan 0.000 0.488 188 E N 1.317 121.529 120.200 0.020 0.000 2.265 188 E HA -0.155 4.192 4.350 -0.006 0.000 0.196 188 E C 0.662 177.252 176.600 -0.016 0.000 0.996 188 E CA 0.182 56.581 56.400 -0.002 0.000 0.832 188 E CB -0.494 29.208 29.700 0.003 0.000 0.756 188 E HN 0.374 nan 8.360 nan 0.000 0.491 189 L N 1.973 123.202 121.223 0.009 0.000 2.360 189 L HA 0.198 4.535 4.340 -0.006 0.000 0.276 189 L C 0.306 177.186 176.870 0.017 0.000 1.121 189 L CA -0.186 54.664 54.840 0.016 0.000 0.845 189 L CB 0.785 42.871 42.059 0.045 0.000 1.143 189 L HN 0.011 nan 8.230 nan 0.000 0.452 190 Q N 2.532 122.342 119.800 0.018 0.000 2.399 190 Q HA 0.595 4.931 4.340 -0.006 0.000 0.276 190 Q C -0.993 175.132 176.000 0.207 0.000 1.098 190 Q CA -0.532 55.313 55.803 0.069 0.000 0.827 190 Q CB 2.169 30.896 28.738 -0.018 0.000 1.386 190 Q HN 0.449 nan 8.270 nan 0.000 0.443 191 L N 3.627 124.956 121.223 0.176 0.000 2.421 191 L HA 0.540 4.876 4.340 -0.006 0.000 0.263 191 L C -1.848 175.116 176.870 0.156 0.000 1.122 191 L CA -2.021 52.903 54.840 0.140 0.000 0.804 191 L CB 0.793 42.895 42.059 0.071 0.000 1.150 191 L HN 0.583 nan 8.230 nan 0.000 0.457 192 P HA 0.018 nan 4.420 nan 0.000 0.268 192 P C 0.682 177.944 177.300 -0.063 0.000 1.208 192 P CA 0.581 63.575 63.100 -0.177 0.000 0.777 192 P CB 0.765 32.352 31.700 -0.188 0.000 0.875 193 G N 0.237 108.986 108.800 -0.085 0.000 2.328 193 G HA2 -0.239 3.718 3.960 -0.006 0.000 0.256 193 G HA3 -0.239 3.718 3.960 -0.006 0.000 0.256 193 G C 0.195 175.126 174.900 0.051 0.000 1.014 193 G CA 0.143 45.233 45.100 -0.016 0.000 0.620 193 G HN 0.577 nan 8.290 nan 0.000 0.530 194 Q N 1.694 121.559 119.800 0.108 0.000 2.306 194 Q HA 0.575 4.912 4.340 -0.006 0.000 0.241 194 Q C -1.719 174.387 176.000 0.177 0.000 0.948 194 Q CA -1.738 54.138 55.803 0.121 0.000 0.886 194 Q CB 1.058 29.862 28.738 0.110 0.000 1.227 194 Q HN 0.436 nan 8.270 nan 0.000 0.457 195 P HA 0.238 nan 4.420 nan 0.000 0.278 195 P C -1.078 176.236 177.300 0.024 0.000 1.266 195 P CA -0.629 62.521 63.100 0.084 0.000 0.807 195 P CB 0.828 32.556 31.700 0.046 0.000 1.094 196 L N 1.062 122.268 121.223 -0.027 0.000 2.283 196 L HA 0.459 4.795 4.340 -0.006 0.000 0.281 196 L C 0.976 177.801 176.870 -0.075 0.000 1.033 196 L CA -0.132 54.630 54.840 -0.130 0.000 0.848 196 L CB 0.119 42.048 42.059 -0.216 0.000 1.226 196 L HN 0.561 nan 8.230 nan 0.000 0.429 197 G N 2.142 110.904 108.800 -0.064 0.000 2.647 197 G HA2 -0.025 3.931 3.960 -0.006 0.000 0.271 197 G HA3 -0.025 3.931 3.960 -0.006 0.000 0.271 197 G C 0.665 175.540 174.900 -0.042 0.000 1.300 197 G CA 0.363 45.440 45.100 -0.040 0.000 0.997 197 G HN 0.722 nan 8.290 nan 0.000 0.533 198 D N -0.591 119.793 120.400 -0.026 0.000 2.212 198 D HA -0.101 4.536 4.640 -0.006 0.000 0.197 198 D C 2.301 178.584 176.300 -0.029 0.000 1.004 198 D CA 2.260 56.247 54.000 -0.022 0.000 0.864 198 D CB -0.836 39.957 40.800 -0.011 0.000 1.027 198 D HN 0.456 nan 8.370 nan 0.000 0.455 199 G N -0.373 108.412 108.800 -0.025 0.000 3.262 199 G HA2 0.060 4.016 3.960 -0.006 0.000 0.228 199 G HA3 0.060 4.016 3.960 -0.006 0.000 0.228 199 G C 0.288 175.161 174.900 -0.044 0.000 1.197 199 G CA -0.265 44.820 45.100 -0.026 0.000 0.819 199 G HN 0.304 nan 8.290 nan 0.000 0.531 200 Q N -0.072 119.685 119.800 -0.073 0.000 2.312 200 Q HA 0.555 4.892 4.340 -0.006 0.000 0.236 200 Q C -0.052 175.850 176.000 -0.162 0.000 0.965 200 Q CA -0.112 55.626 55.803 -0.108 0.000 0.894 200 Q CB 1.820 30.480 28.738 -0.131 0.000 1.225 200 Q HN 0.509 nan 8.270 nan 0.000 0.478 201 I N -2.468 118.000 120.570 -0.170 0.000 2.934 201 I HA 0.411 4.578 4.170 -0.006 0.000 0.306 201 I C -1.121 174.853 176.117 -0.239 0.000 1.110 201 I CA -1.378 59.803 61.300 -0.199 0.000 1.019 201 I CB 1.289 39.250 38.000 -0.064 0.000 1.227 201 I HN 0.468 nan 8.210 nan 0.000 0.434 202 Y N 1.255 121.551 120.300 -0.008 0.000 2.442 202 Y HA 0.121 4.668 4.550 -0.006 0.000 0.330 202 Y C 0.548 176.435 175.900 -0.022 0.000 1.129 202 Y CA -0.082 58.008 58.100 -0.016 0.000 1.365 202 Y CB 0.306 38.751 38.460 -0.025 0.000 1.233 202 Y HN 0.521 nan 8.280 nan 0.000 0.529 203 D N 2.252 122.738 120.400 0.143 0.000 2.389 203 D HA -0.027 4.609 4.640 -0.006 0.000 0.263 203 D C 0.862 177.183 176.300 0.035 0.000 1.255 203 D CA 0.412 54.454 54.000 0.070 0.000 0.914 203 D CB 0.794 41.633 40.800 0.065 0.000 1.116 203 D HN 0.764 nan 8.370 nan 0.000 0.502 204 T N 0.408 114.957 114.554 -0.010 0.000 3.026 204 T HA -0.003 4.344 4.350 -0.006 0.000 0.245 204 T C 1.484 176.121 174.700 -0.105 0.000 1.004 204 T CA -0.226 61.826 62.100 -0.079 0.000 1.069 204 T CB -0.024 68.759 68.868 -0.142 0.000 1.005 204 T HN 0.105 nan 8.240 nan 0.000 0.472 205 N N 1.793 120.448 118.700 -0.074 0.000 2.104 205 N HA -0.037 4.699 4.740 -0.006 0.000 0.190 205 N C 1.902 177.374 175.510 -0.063 0.000 1.024 205 N CA 1.235 54.246 53.050 -0.064 0.000 0.853 205 N CB -0.403 38.075 38.487 -0.015 0.000 1.008 205 N HN 0.455 nan 8.380 nan 0.000 0.424 206 R N 0.420 120.900 120.500 -0.033 0.000 2.092 206 R HA 0.037 4.374 4.340 -0.006 0.000 0.231 206 R C 2.113 178.409 176.300 -0.007 0.000 1.119 206 R CA 0.617 56.709 56.100 -0.014 0.000 0.970 206 R CB -0.268 30.047 30.300 0.024 0.000 0.864 206 R HN 0.201 nan 8.270 nan 0.000 0.440 207 L N 0.252 121.454 121.223 -0.035 0.000 2.056 207 L HA -0.111 4.225 4.340 -0.006 0.000 0.207 207 L C 2.251 179.075 176.870 -0.077 0.000 1.078 207 L CA 1.839 56.644 54.840 -0.059 0.000 0.749 207 L CB -0.728 41.276 42.059 -0.092 0.000 0.901 207 L HN 0.334 nan 8.230 nan 0.000 0.433 208 A N -0.596 122.156 122.820 -0.114 0.000 1.908 208 A HA -0.184 4.132 4.320 -0.006 0.000 0.218 208 A C 2.189 179.639 177.584 -0.223 0.000 1.181 208 A CA 2.042 53.992 52.037 -0.144 0.000 0.627 208 A CB -0.822 18.096 19.000 -0.138 0.000 0.818 208 A HN 0.348 nan 8.150 nan 0.000 0.445 209 V N -0.709 119.059 119.914 -0.242 0.000 2.453 209 V HA -0.190 3.926 4.120 -0.006 0.000 0.247 209 V C 2.489 178.420 176.094 -0.271 0.000 1.048 209 V CA 1.908 63.954 62.300 -0.424 0.000 1.049 209 V CB -0.929 30.697 31.823 -0.328 0.000 0.672 209 V HN 0.746 nan 8.190 nan 0.000 0.457 210 H N 0.436 119.385 119.070 -0.201 0.000 2.293 210 H HA -0.096 4.457 4.556 -0.006 0.000 0.300 210 H C 2.229 177.477 175.328 -0.133 0.000 1.082 210 H CA 1.998 57.968 56.048 -0.130 0.000 1.308 210 H CB -0.202 29.507 29.762 -0.087 0.000 1.375 210 H HN 0.315 nan 8.280 nan 0.000 0.495 211 L N -0.207 121.049 121.223 0.054 0.000 2.012 211 L HA -0.247 4.090 4.340 -0.006 0.000 0.210 211 L C 3.047 179.874 176.870 -0.072 0.000 1.073 211 L CA 1.457 56.288 54.840 -0.015 0.000 0.748 211 L CB -0.403 41.612 42.059 -0.074 0.000 0.891 211 L HN 0.281 nan 8.230 nan 0.000 0.431 212 M N -0.844 118.646 119.600 -0.183 0.000 2.132 212 M HA -0.199 4.278 4.480 -0.006 0.000 0.263 212 M C 2.335 178.586 176.300 -0.083 0.000 1.065 212 M CA 1.651 56.824 55.300 -0.212 0.000 1.122 212 M CB -0.271 32.047 32.600 -0.470 0.000 1.365 212 M HN 0.235 nan 8.290 nan 0.000 0.411 213 L N -0.154 121.012 121.223 -0.096 0.000 2.012 213 L HA -0.249 4.088 4.340 -0.006 0.000 0.210 213 L C 2.340 179.210 176.870 -0.000 0.000 1.073 213 L CA 1.548 56.387 54.840 -0.002 0.000 0.748 213 L CB -0.766 41.256 42.059 -0.063 0.000 0.891 213 L HN 0.351 nan 8.230 nan 0.000 0.431 214 E N -0.477 119.722 120.200 -0.002 0.000 2.110 214 E HA -0.237 4.110 4.350 -0.006 0.000 0.193 214 E C 2.229 178.839 176.600 0.016 0.000 0.988 214 E CA 0.927 57.340 56.400 0.022 0.000 0.804 214 E CB -0.034 29.705 29.700 0.065 0.000 0.745 214 E HN 0.462 nan 8.360 nan 0.000 0.458 215 Q N -0.008 119.794 119.800 0.002 0.000 2.369 215 Q HA -0.023 4.313 4.340 -0.006 0.000 0.206 215 Q C 2.015 178.021 176.000 0.011 0.000 0.963 215 Q CA 0.658 56.460 55.803 -0.001 0.000 0.894 215 Q CB 0.122 28.845 28.738 -0.027 0.000 0.965 215 Q HN 0.361 nan 8.270 nan 0.000 0.475 216 L N -0.960 120.272 121.223 0.016 0.000 2.591 216 L HA 0.136 4.472 4.340 -0.006 0.000 0.228 216 L C 0.986 177.870 176.870 0.022 0.000 1.133 216 L CA 0.481 55.332 54.840 0.018 0.000 0.880 216 L CB 0.013 42.090 42.059 0.030 0.000 1.033 216 L HN 0.297 nan 8.230 nan 0.000 0.450 217 G N -0.693 108.123 108.800 0.027 0.000 2.132 217 G HA2 -0.231 3.725 3.960 -0.006 0.000 0.228 217 G HA3 -0.231 3.725 3.960 -0.006 0.000 0.228 217 G C 0.135 175.048 174.900 0.022 0.000 1.000 217 G CA -0.164 44.953 45.100 0.030 0.000 0.693 217 G HN 0.294 nan 8.290 nan 0.000 0.515 218 C N 0.152 119.463 119.300 0.018 0.000 2.459 218 C HA 0.612 5.068 4.460 -0.006 0.000 0.374 218 C C 0.943 175.934 174.990 0.001 0.000 1.241 218 C CA -0.606 58.419 59.018 0.012 0.000 2.352 218 C CB 1.157 28.906 27.740 0.015 0.000 2.490 218 C HN 0.603 nan 8.230 nan 0.000 0.583 219 E N 0.881 121.082 120.200 0.002 0.000 2.257 219 E HA 0.386 4.732 4.350 -0.006 0.000 0.278 219 E C -0.977 175.604 176.600 -0.032 0.000 1.049 219 E CA -0.036 56.361 56.400 -0.005 0.000 0.876 219 E CB 0.563 30.268 29.700 0.007 0.000 1.035 219 E HN 0.505 nan 8.360 nan 0.000 0.419 220 V N 6.091 125.962 119.914 -0.071 0.000 2.435 220 V HA 0.363 4.479 4.120 -0.006 0.000 0.290 220 V C -0.241 175.792 176.094 -0.102 0.000 1.030 220 V CA -0.733 61.474 62.300 -0.155 0.000 0.881 220 V CB 1.404 32.978 31.823 -0.415 0.000 0.983 220 V HN 0.552 nan 8.190 nan 0.000 0.445 221 I N 4.074 124.603 120.570 -0.069 0.000 2.405 221 I HA 0.351 4.517 4.170 -0.006 0.000 0.280 221 I C 0.024 176.144 176.117 0.006 0.000 1.027 221 I CA 0.113 61.406 61.300 -0.011 0.000 1.161 221 I CB 0.959 38.967 38.000 0.015 0.000 1.300 221 I HN 0.609 nan 8.210 nan 0.000 0.463 222 N N 5.277 123.995 118.700 0.031 0.000 2.485 222 N HA 0.275 5.012 4.740 -0.006 0.000 0.243 222 N C 0.436 176.000 175.510 0.091 0.000 0.987 222 N CA -0.459 52.639 53.050 0.079 0.000 0.940 222 N CB 0.793 39.392 38.487 0.187 0.000 1.122 222 N HN 0.463 nan 8.380 nan 0.000 0.509 223 L N 3.132 124.420 121.223 0.109 0.000 2.591 223 L HA 0.375 4.711 4.340 -0.006 0.000 0.228 223 L C 1.414 178.321 176.870 0.061 0.000 1.133 223 L CA 0.674 55.553 54.840 0.066 0.000 0.880 223 L CB -1.287 40.789 42.059 0.027 0.000 1.033 223 L HN 0.855 nan 8.230 nan 0.000 0.450 224 G N -0.111 108.748 108.800 0.099 0.000 2.584 224 G HA2 -0.265 3.691 3.960 -0.006 0.000 0.229 224 G HA3 -0.265 3.691 3.960 -0.006 0.000 0.229 224 G C -0.030 174.933 174.900 0.104 0.000 1.320 224 G CA -0.275 44.875 45.100 0.083 0.000 0.891 224 G HN 0.066 nan 8.290 nan 0.000 0.573 225 I N 1.430 122.045 120.570 0.075 0.000 2.325 225 I HA 0.278 4.444 4.170 -0.006 0.000 0.291 225 I C 0.359 176.505 176.117 0.049 0.000 1.019 225 I CA -0.767 60.582 61.300 0.082 0.000 1.302 225 I CB 0.948 38.990 38.000 0.069 0.000 1.401 225 I HN 0.244 nan 8.210 nan 0.000 0.485 226 I N 6.418 127.016 120.570 0.046 0.000 2.441 226 I HA 0.217 4.383 4.170 -0.006 0.000 0.287 226 I C 0.987 177.122 176.117 0.030 0.000 1.049 226 I CA -0.370 60.917 61.300 -0.021 0.000 1.381 226 I CB 0.310 38.239 38.000 -0.118 0.000 1.409 226 I HN 0.548 nan 8.210 nan 0.000 0.523 227 R N 3.061 123.569 120.500 0.013 0.000 2.523 227 R HA -0.142 4.194 4.340 -0.006 0.000 0.281 227 R C 0.297 176.635 176.300 0.063 0.000 0.969 227 R CA 0.247 56.364 56.100 0.029 0.000 1.093 227 R CB 0.099 30.403 30.300 0.007 0.000 0.917 227 R HN 0.521 nan 8.270 nan 0.000 0.408 228 D N 1.715 122.164 120.400 0.080 0.000 2.404 228 D HA -0.099 4.538 4.640 -0.006 0.000 0.256 228 D C -0.160 176.149 176.300 0.016 0.000 1.189 228 D CA 0.845 54.930 54.000 0.141 0.000 0.965 228 D CB -0.027 40.831 40.800 0.096 0.000 0.901 228 D HN 0.422 nan 8.370 nan 0.000 0.517 229 D N -2.210 118.127 120.400 -0.106 0.000 2.547 229 D HA 0.146 4.782 4.640 -0.006 0.000 0.231 229 D C -2.034 174.046 176.300 -0.367 0.000 1.099 229 D CA -1.566 52.184 54.000 -0.417 0.000 0.901 229 D CB 2.341 43.019 40.800 -0.204 0.000 1.478 229 D HN -0.172 nan 8.370 nan 0.000 0.471 230 P HA -0.195 nan 4.420 nan 0.000 0.215 230 P C 1.239 178.424 177.300 -0.192 0.000 1.153 230 P CA 1.375 64.317 63.100 -0.264 0.000 0.853 230 P CB 0.050 31.523 31.700 -0.379 0.000 0.788 231 H N 0.106 119.140 119.070 -0.060 0.000 2.357 231 H HA 0.054 4.606 4.556 -0.006 0.000 0.301 231 H C 2.162 177.476 175.328 -0.023 0.000 1.082 231 H CA 1.532 57.561 56.048 -0.032 0.000 1.342 231 H CB -0.827 28.908 29.762 -0.045 0.000 1.389 231 H HN 0.110 nan 8.280 nan 0.000 0.511 232 A N 1.545 124.407 122.820 0.070 0.000 1.940 232 A HA -0.126 4.191 4.320 -0.006 0.000 0.219 232 A C 2.592 180.169 177.584 -0.013 0.000 1.176 232 A CA 1.066 53.111 52.037 0.013 0.000 0.631 232 A CB -0.797 18.202 19.000 -0.002 0.000 0.814 232 A HN 0.321 nan 8.150 nan 0.000 0.446 233 L N -1.269 119.979 121.223 0.040 0.000 2.109 233 L HA -0.096 4.240 4.340 -0.006 0.000 0.207 233 L C 2.730 179.678 176.870 0.130 0.000 1.086 233 L CA 1.649 56.531 54.840 0.070 0.000 0.760 233 L CB -0.416 41.802 42.059 0.265 0.000 0.910 233 L HN 0.516 nan 8.230 nan 0.000 0.437 234 R N -0.037 120.538 120.500 0.125 0.000 2.091 234 R HA -0.186 4.150 4.340 -0.006 0.000 0.238 234 R C 2.214 178.571 176.300 0.095 0.000 1.136 234 R CA 1.690 57.867 56.100 0.127 0.000 0.959 234 R CB -0.232 30.100 30.300 0.054 0.000 0.856 234 R HN 0.425 nan 8.270 nan 0.000 0.437 235 A N 0.403 123.244 122.820 0.035 0.000 1.930 235 A HA -0.040 4.276 4.320 -0.006 0.000 0.217 235 A C 2.333 179.877 177.584 -0.068 0.000 1.175 235 A CA 1.449 53.484 52.037 -0.003 0.000 0.627 235 A CB -0.752 18.241 19.000 -0.012 0.000 0.815 235 A HN 0.533 nan 8.150 nan 0.000 0.443 236 A N -0.844 121.865 122.820 -0.184 0.000 1.883 236 A HA -0.101 4.215 4.320 -0.006 0.000 0.217 236 A C 2.009 179.401 177.584 -0.319 0.000 1.186 236 A CA 1.660 53.442 52.037 -0.424 0.000 0.624 236 A CB -0.813 17.628 19.000 -0.932 0.000 0.822 236 A HN 0.498 nan 8.150 nan 0.000 0.444 237 F N -0.195 119.674 119.950 -0.136 0.000 2.146 237 F HA -0.087 4.437 4.527 -0.006 0.000 0.298 237 F C 2.190 177.985 175.800 -0.009 0.000 1.096 237 F CA 1.399 59.396 58.000 -0.005 0.000 1.275 237 F CB -0.290 38.703 39.000 -0.013 0.000 1.008 237 F HN 0.117 nan 8.300 nan 0.000 0.480 238 I N -0.047 120.612 120.570 0.149 0.000 2.163 238 I HA -0.316 3.850 4.170 -0.006 0.000 0.243 238 I C 2.466 178.609 176.117 0.045 0.000 1.085 238 I CA 1.715 63.060 61.300 0.075 0.000 1.347 238 I CB -0.563 37.461 38.000 0.041 0.000 1.044 238 I HN 0.197 nan 8.210 nan 0.000 0.408 239 E N 1.334 121.543 120.200 0.014 0.000 2.038 239 E HA -0.276 4.070 4.350 -0.006 0.000 0.195 239 E C 2.308 178.925 176.600 0.029 0.000 1.000 239 E CA 1.527 57.929 56.400 0.004 0.000 0.803 239 E CB -0.102 29.581 29.700 -0.028 0.000 0.750 239 E HN 0.462 nan 8.360 nan 0.000 0.448 240 A N 1.655 124.501 122.820 0.044 0.000 1.873 240 A HA -0.280 4.036 4.320 -0.006 0.000 0.218 240 A C 2.130 179.777 177.584 0.104 0.000 1.193 240 A CA 2.103 54.198 52.037 0.097 0.000 0.629 240 A CB -0.946 18.156 19.000 0.170 0.000 0.826 240 A HN 0.592 nan 8.150 nan 0.000 0.447 241 D N -0.010 120.463 120.400 0.121 0.000 2.178 241 D HA -0.141 4.495 4.640 -0.006 0.000 0.202 241 D C 2.067 178.391 176.300 0.041 0.000 0.974 241 D CA 1.854 55.908 54.000 0.090 0.000 0.841 241 D CB -0.063 40.793 40.800 0.094 0.000 0.953 241 D HN 0.512 nan 8.370 nan 0.000 0.478 242 S N -0.654 115.067 115.700 0.035 0.000 2.453 242 S HA -0.055 4.411 4.470 -0.006 0.000 0.231 242 S C 1.842 176.454 174.600 0.020 0.000 1.005 242 S CA 0.469 58.679 58.200 0.018 0.000 0.949 242 S CB 0.075 63.282 63.200 0.013 0.000 0.774 242 S HN 0.237 nan 8.310 nan 0.000 0.510 243 Q N 0.569 120.386 119.800 0.030 0.000 2.384 243 Q HA 0.480 4.817 4.340 -0.006 0.000 0.207 243 Q C 0.371 176.392 176.000 0.034 0.000 0.904 243 Q CA 0.458 56.278 55.803 0.028 0.000 0.933 243 Q CB 0.895 29.650 28.738 0.029 0.000 1.077 243 Q HN 0.701 nan 8.270 nan 0.000 0.522 244 A N -0.044 122.802 122.820 0.043 0.000 2.498 244 A HA 0.386 4.702 4.320 -0.006 0.000 0.298 244 A C -0.374 177.244 177.584 0.058 0.000 1.075 244 A CA -0.617 51.452 52.037 0.054 0.000 0.714 244 A CB 1.237 20.279 19.000 0.070 0.000 1.299 244 A HN -0.076 nan 8.150 nan 0.000 0.407 245 D N -0.282 120.163 120.400 0.075 0.000 2.240 245 D HA 0.122 4.758 4.640 -0.006 0.000 0.206 245 D C 0.098 176.496 176.300 0.163 0.000 0.963 245 D CA 1.461 55.524 54.000 0.104 0.000 0.863 245 D CB 0.499 41.372 40.800 0.122 0.000 0.973 245 D HN 0.215 nan 8.370 nan 0.000 0.501 246 V N 1.604 121.610 119.914 0.153 0.000 2.588 246 V HA 0.279 4.395 4.120 -0.006 0.000 0.304 246 V C -0.165 176.009 176.094 0.133 0.000 1.042 246 V CA -0.808 61.600 62.300 0.180 0.000 0.877 246 V CB 2.752 34.674 31.823 0.166 0.000 0.996 246 V HN -0.255 nan 8.190 nan 0.000 0.425 247 V N 6.180 126.190 119.914 0.160 0.000 2.398 247 V HA 0.545 4.661 4.120 -0.006 0.000 0.286 247 V C -0.263 175.829 176.094 -0.004 0.000 1.026 247 V CA -0.354 62.043 62.300 0.162 0.000 0.868 247 V CB 1.652 33.700 31.823 0.375 0.000 0.982 247 V HN 0.684 nan 8.190 nan 0.000 0.443 248 I N 3.692 124.182 120.570 -0.133 0.000 2.418 248 I HA 0.371 4.537 4.170 -0.006 0.000 0.287 248 I C 0.102 175.946 176.117 -0.455 0.000 1.008 248 I CA -0.233 60.900 61.300 -0.278 0.000 1.104 248 I CB 2.106 40.038 38.000 -0.112 0.000 1.264 248 I HN 0.611 nan 8.210 nan 0.000 0.438 249 S N 3.610 119.038 115.700 -0.454 0.000 2.422 249 S HA 0.203 4.669 4.470 -0.006 0.000 0.298 249 S C 0.974 175.465 174.600 -0.182 0.000 1.118 249 S CA -0.499 57.458 58.200 -0.406 0.000 1.083 249 S CB 0.874 64.009 63.200 -0.109 0.000 0.971 249 S HN 0.718 nan 8.310 nan 0.000 0.478 250 S N 3.225 118.841 115.700 -0.140 0.000 2.593 250 S HA 0.462 4.929 4.470 -0.006 0.000 0.217 250 S C 0.802 175.406 174.600 0.008 0.000 0.966 250 S CA 0.020 58.194 58.200 -0.043 0.000 0.914 250 S CB -0.125 63.046 63.200 -0.047 0.000 0.776 250 S HN 1.336 nan 8.310 nan 0.000 0.523 251 G N -1.545 107.265 108.800 0.017 0.000 2.318 251 G HA2 0.519 4.476 3.960 -0.006 0.000 0.306 251 G HA3 0.519 4.476 3.960 -0.006 0.000 0.306 251 G C 0.239 175.183 174.900 0.074 0.000 1.696 251 G CA -0.254 44.878 45.100 0.053 0.000 0.905 251 G HN 1.132 nan 8.290 nan 0.000 0.700 252 G N -0.669 108.180 108.800 0.081 0.000 2.259 252 G HA2 -0.029 3.927 3.960 -0.006 0.000 0.217 252 G HA3 -0.029 3.927 3.960 -0.006 0.000 0.217 252 G C 0.446 175.396 174.900 0.083 0.000 1.001 252 G CA 0.485 45.634 45.100 0.082 0.000 0.627 252 G HN 1.672 nan 8.290 nan 0.000 0.501 253 V N 1.872 121.865 119.914 0.133 0.000 2.686 253 V HA 0.654 4.770 4.120 -0.006 0.000 0.295 253 V C 1.304 177.487 176.094 0.147 0.000 1.057 253 V CA 0.272 62.672 62.300 0.168 0.000 1.012 253 V CB 1.630 33.648 31.823 0.325 0.000 1.006 253 V HN 0.714 nan 8.190 nan 0.000 0.477 254 S N 2.708 118.470 115.700 0.104 0.000 2.552 254 S HA 0.081 4.547 4.470 -0.006 0.000 0.289 254 S C 0.568 175.309 174.600 0.234 0.000 1.304 254 S CA -0.156 58.099 58.200 0.092 0.000 1.063 254 S CB 0.826 64.015 63.200 -0.018 0.000 0.848 254 S HN 1.021 nan 8.310 nan 0.000 0.499 255 V N 2.585 122.617 119.914 0.197 0.000 3.177 255 V HA 0.680 4.796 4.120 -0.006 0.000 0.342 255 V C 1.251 177.510 176.094 0.275 0.000 1.379 255 V CA 0.331 62.810 62.300 0.298 0.000 1.191 255 V CB -0.675 31.277 31.823 0.216 0.000 1.167 255 V HN 1.177 nan 8.190 nan 0.000 0.471 256 G N -0.049 108.755 108.800 0.005 0.000 3.345 256 G HA2 -0.144 3.812 3.960 -0.006 0.000 0.199 256 G HA3 -0.144 3.812 3.960 -0.006 0.000 0.199 256 G C 0.009 174.776 174.900 -0.222 0.000 1.057 256 G CA -0.194 44.769 45.100 -0.228 0.000 0.865 256 G HN 0.495 nan 8.290 nan 0.000 0.449 257 E N 1.669 121.806 120.200 -0.106 0.000 2.558 257 E HA 0.422 4.768 4.350 -0.006 0.000 0.255 257 E C 0.819 177.330 176.600 -0.147 0.000 0.968 257 E CA 0.324 56.667 56.400 -0.094 0.000 0.939 257 E CB 0.814 30.487 29.700 -0.044 0.000 0.921 257 E HN 0.685 nan 8.360 nan 0.000 0.477 258 A N 4.976 127.716 122.820 -0.133 0.000 2.491 258 A HA 0.281 4.597 4.320 -0.006 0.000 0.261 258 A C -0.254 177.276 177.584 -0.090 0.000 1.101 258 A CA 0.073 52.034 52.037 -0.127 0.000 0.772 258 A CB 0.028 18.971 19.000 -0.095 0.000 1.043 258 A HN 0.681 nan 8.150 nan 0.000 0.501 259 D N 0.429 120.769 120.400 -0.100 0.000 2.809 259 D HA 0.092 4.728 4.640 -0.006 0.000 0.336 259 D C 0.207 176.458 176.300 -0.081 0.000 1.367 259 D CA 0.005 53.958 54.000 -0.078 0.000 0.815 259 D CB -0.381 40.348 40.800 -0.119 0.000 1.381 259 D HN 0.439 nan 8.370 nan 0.000 0.471 260 Y N -0.990 119.299 120.300 -0.018 0.000 2.333 260 Y HA -0.045 4.502 4.550 -0.006 0.000 0.290 260 Y C 2.076 177.967 175.900 -0.015 0.000 1.144 260 Y CA 2.014 60.098 58.100 -0.027 0.000 1.228 260 Y CB -1.366 37.077 38.460 -0.029 0.000 0.985 260 Y HN 0.486 nan 8.280 nan 0.000 0.542 261 T N -1.533 112.688 114.554 -0.556 0.000 2.857 261 T HA -0.160 4.186 4.350 -0.006 0.000 0.266 261 T C 1.774 176.414 174.700 -0.099 0.000 1.048 261 T CA 1.371 63.320 62.100 -0.252 0.000 1.139 261 T CB -0.378 68.332 68.868 -0.265 0.000 0.874 261 T HN 0.390 nan 8.240 nan 0.000 0.455 262 K N 1.331 121.659 120.400 -0.120 0.000 2.097 262 K HA -0.086 4.231 4.320 -0.006 0.000 0.206 262 K C 2.488 179.044 176.600 -0.073 0.000 1.049 262 K CA 1.996 58.226 56.287 -0.096 0.000 0.933 262 K CB -0.883 31.494 32.500 -0.204 0.000 0.717 262 K HN 0.474 nan 8.250 nan 0.000 0.442 263 T N -1.136 113.378 114.554 -0.066 0.000 3.023 263 T HA 0.032 4.378 4.350 -0.006 0.000 0.266 263 T C 1.817 176.477 174.700 -0.067 0.000 1.093 263 T CA 0.819 62.888 62.100 -0.052 0.000 1.129 263 T CB -0.215 68.635 68.868 -0.030 0.000 0.899 263 T HN 0.251 nan 8.240 nan 0.000 0.491 264 I N 0.419 120.950 120.570 -0.065 0.000 2.233 264 I HA -0.009 4.158 4.170 -0.006 0.000 0.243 264 I C 2.530 178.477 176.117 -0.283 0.000 1.093 264 I CA 0.905 62.132 61.300 -0.121 0.000 1.380 264 I CB -0.247 37.735 38.000 -0.031 0.000 1.067 264 I HN 0.248 nan 8.210 nan 0.000 0.413 265 L N 0.382 121.416 121.223 -0.316 0.000 2.013 265 L HA -0.292 4.044 4.340 -0.006 0.000 0.212 265 L C 2.502 179.188 176.870 -0.306 0.000 1.073 265 L CA 1.751 56.309 54.840 -0.470 0.000 0.753 265 L CB -0.426 41.450 42.059 -0.305 0.000 0.890 265 L HN 0.302 nan 8.230 nan 0.000 0.432 266 E N -0.698 119.419 120.200 -0.138 0.000 2.106 266 E HA -0.271 4.076 4.350 -0.006 0.000 0.192 266 E C 2.024 178.556 176.600 -0.113 0.000 0.984 266 E CA 1.049 57.402 56.400 -0.077 0.000 0.806 266 E CB 0.039 29.727 29.700 -0.019 0.000 0.750 266 E HN 0.440 nan 8.360 nan 0.000 0.458 267 E N 0.571 120.692 120.200 -0.132 0.000 2.077 267 E HA -0.161 4.185 4.350 -0.006 0.000 0.193 267 E C 1.669 178.175 176.600 -0.157 0.000 0.989 267 E CA 0.778 57.103 56.400 -0.124 0.000 0.800 267 E CB 0.138 29.772 29.700 -0.110 0.000 0.746 267 E HN 0.225 nan 8.360 nan 0.000 0.452 268 L N -0.430 120.649 121.223 -0.239 0.000 2.607 268 L HA 0.327 4.664 4.340 -0.006 0.000 0.228 268 L C 0.912 177.627 176.870 -0.259 0.000 1.123 268 L CA 0.062 54.748 54.840 -0.257 0.000 0.890 268 L CB 0.779 42.617 42.059 -0.368 0.000 1.103 268 L HN 0.104 nan 8.230 nan 0.000 0.468 269 G N -0.447 108.203 108.800 -0.250 0.000 2.548 269 G HA2 0.357 4.314 3.960 -0.006 0.000 0.301 269 G HA3 0.357 4.314 3.960 -0.006 0.000 0.301 269 G C -1.518 173.269 174.900 -0.188 0.000 1.349 269 G CA -0.551 44.408 45.100 -0.234 0.000 0.792 269 G HN -0.030 nan 8.290 nan 0.000 0.481 270 E N -0.000 120.095 120.200 -0.174 0.000 2.103 270 E HA 0.454 4.801 4.350 -0.006 0.000 0.254 270 E C -0.713 175.780 176.600 -0.179 0.000 0.940 270 E CA -0.120 56.203 56.400 -0.128 0.000 0.771 270 E CB 1.111 30.765 29.700 -0.076 0.000 1.153 270 E HN 0.288 nan 8.360 nan 0.000 0.428 271 I N 2.275 122.707 120.570 -0.231 0.000 2.378 271 I HA 0.395 4.561 4.170 -0.006 0.000 0.291 271 I C 0.107 175.911 176.117 -0.523 0.000 0.992 271 I CA -0.527 60.512 61.300 -0.435 0.000 1.154 271 I CB 1.813 39.471 38.000 -0.571 0.000 1.315 271 I HN 0.354 nan 8.210 nan 0.000 0.448 272 A N 6.130 128.613 122.820 -0.561 0.000 2.304 272 A HA 0.764 5.080 4.320 -0.006 0.000 0.301 272 A C -0.942 176.099 177.584 -0.906 0.000 1.132 272 A CA -0.222 51.518 52.037 -0.495 0.000 0.819 272 A CB 0.175 18.987 19.000 -0.313 0.000 1.094 272 A HN 0.521 nan 8.150 nan 0.000 0.492 273 F N 2.170 121.996 119.950 -0.207 0.000 2.359 273 F HA 0.335 4.859 4.527 -0.006 0.000 0.369 273 F C -0.482 175.378 175.800 0.100 0.000 1.084 273 F CA -0.492 57.440 58.000 -0.113 0.000 1.096 273 F CB 0.812 39.800 39.000 -0.021 0.000 1.335 273 F HN 0.514 nan 8.300 nan 0.000 0.457 274 W N 2.919 124.345 121.300 0.210 0.000 2.313 274 W HA 0.450 5.106 4.660 -0.006 0.000 0.328 274 W C -0.049 176.583 176.519 0.189 0.000 1.197 274 W CA -1.455 56.005 57.345 0.191 0.000 1.235 274 W CB 0.816 30.395 29.460 0.198 0.000 1.158 274 W HN 0.213 nan 8.180 nan 0.000 0.578 275 K N 3.073 123.705 120.400 0.387 0.000 2.339 275 K HA 0.438 4.754 4.320 -0.006 0.000 0.264 275 K C -0.994 175.718 176.600 0.188 0.000 0.986 275 K CA -1.133 55.304 56.287 0.251 0.000 0.866 275 K CB 1.768 34.376 32.500 0.179 0.000 1.103 275 K HN 0.050 nan 8.250 nan 0.000 0.441 276 L N 1.900 123.229 121.223 0.176 0.000 2.307 276 L HA 0.313 4.649 4.340 -0.006 0.000 0.284 276 L C 0.266 177.184 176.870 0.081 0.000 1.023 276 L CA -0.265 54.645 54.840 0.116 0.000 0.810 276 L CB 1.535 43.675 42.059 0.135 0.000 1.231 276 L HN 0.748 nan 8.230 nan 0.000 0.423 277 A N 6.717 129.564 122.820 0.046 0.000 3.048 277 A HA 0.462 4.779 4.320 -0.006 0.000 0.264 277 A C 0.047 177.665 177.584 0.057 0.000 1.796 277 A CA -0.083 51.979 52.037 0.042 0.000 1.445 277 A CB -1.363 17.647 19.000 0.016 0.000 1.074 277 A HN 0.616 nan 8.150 nan 0.000 0.621 278 I N -3.053 117.568 120.570 0.084 0.000 3.074 278 I HA 0.807 4.974 4.170 -0.006 0.000 0.310 278 I C -0.941 175.249 176.117 0.122 0.000 1.153 278 I CA -1.315 60.061 61.300 0.127 0.000 0.993 278 I CB 2.456 40.550 38.000 0.157 0.000 1.237 278 I HN 0.109 nan 8.210 nan 0.000 0.443 279 K N 3.996 124.490 120.400 0.157 0.000 2.535 279 K HA 0.585 4.901 4.320 -0.006 0.000 0.251 279 K C -2.934 173.775 176.600 0.181 0.000 0.942 279 K CA -1.540 54.828 56.287 0.135 0.000 0.798 279 K CB 2.676 35.233 32.500 0.096 0.000 1.267 279 K HN 0.384 nan 8.250 nan 0.000 0.434 280 P HA 0.215 nan 4.420 nan 0.000 0.271 280 P C 0.190 177.559 177.300 0.115 0.000 1.244 280 P CA 0.526 63.703 63.100 0.128 0.000 0.793 280 P CB 0.510 32.291 31.700 0.135 0.000 0.984 281 G N -0.222 108.648 108.800 0.116 0.000 2.582 281 G HA2 -0.028 3.928 3.960 -0.006 0.000 0.222 281 G HA3 -0.028 3.928 3.960 -0.006 0.000 0.222 281 G C -0.050 174.919 174.900 0.116 0.000 1.311 281 G CA 0.583 45.752 45.100 0.115 0.000 0.915 281 G HN 0.900 nan 8.290 nan 0.000 0.528 282 K N -2.363 118.115 120.400 0.130 0.000 2.190 282 K HA 0.066 4.382 4.320 -0.006 0.000 0.173 282 K C -2.634 174.087 176.600 0.201 0.000 2.581 282 K CA 0.771 57.144 56.287 0.143 0.000 1.287 282 K CB -0.549 32.027 32.500 0.126 0.000 2.848 282 K HN 0.682 nan 8.250 nan 0.000 0.385 283 P HA 0.294 nan 4.420 nan 0.000 0.279 283 P C -1.219 176.302 177.300 0.368 0.000 1.239 283 P CA 0.202 63.463 63.100 0.269 0.000 0.789 283 P CB 0.494 32.322 31.700 0.214 0.000 0.933 284 F N 1.565 121.624 119.950 0.183 0.000 2.604 284 F HA 0.603 5.126 4.527 -0.006 0.000 0.316 284 F C -1.542 174.265 175.800 0.013 0.000 1.136 284 F CA -0.948 57.125 58.000 0.121 0.000 0.989 284 F CB 1.418 40.517 39.000 0.166 0.000 1.258 284 F HN 0.422 nan 8.300 nan 0.000 0.451 285 A N 5.445 127.832 122.820 -0.722 0.000 2.317 285 A HA 0.828 5.145 4.320 -0.006 0.000 0.327 285 A C -2.005 174.948 177.584 -1.051 0.000 1.178 285 A CA -0.456 51.141 52.037 -0.733 0.000 0.817 285 A CB 0.693 19.555 19.000 -0.229 0.000 1.189 285 A HN 0.842 nan 8.150 nan 0.000 0.489 286 F N 1.400 120.732 119.950 -1.031 0.000 2.635 286 F HA 0.637 5.161 4.527 -0.006 0.000 0.314 286 F C 0.076 175.620 175.800 -0.426 0.000 1.119 286 F CA 0.717 58.263 58.000 -0.756 0.000 1.000 286 F CB 1.564 40.051 39.000 -0.854 0.000 1.278 286 F HN 1.275 nan 8.300 nan 0.000 0.446 287 G N 3.578 111.731 108.800 -1.078 0.000 2.336 287 G HA2 0.389 4.346 3.960 -0.006 0.000 0.286 287 G HA3 0.389 4.346 3.960 -0.006 0.000 0.286 287 G C -2.360 172.324 174.900 -0.361 0.000 1.269 287 G CA -1.051 43.667 45.100 -0.637 0.000 0.873 287 G HN 0.588 nan 8.290 nan 0.000 0.494 288 K N 0.435 120.675 120.400 -0.268 0.000 2.274 288 K HA 0.773 5.090 4.320 -0.006 0.000 0.262 288 K C -0.114 176.292 176.600 -0.323 0.000 0.961 288 K CA -0.666 55.377 56.287 -0.407 0.000 0.833 288 K CB 0.799 33.051 32.500 -0.413 0.000 1.102 288 K HN 0.469 nan 8.250 nan 0.000 0.436 289 L N 1.675 122.708 121.223 -0.317 0.000 2.544 289 L HA 0.364 4.701 4.340 -0.006 0.000 0.256 289 L C 1.457 178.181 176.870 -0.243 0.000 1.097 289 L CA -0.671 54.031 54.840 -0.230 0.000 0.812 289 L CB 0.899 42.883 42.059 -0.124 0.000 1.440 289 L HN 0.690 nan 8.230 nan 0.000 0.496 290 S N 0.275 115.874 115.700 -0.169 0.000 2.365 290 S HA -0.121 4.345 4.470 -0.006 0.000 0.225 290 S C 0.814 175.315 174.600 -0.165 0.000 1.039 290 S CA 1.533 59.645 58.200 -0.147 0.000 1.033 290 S CB -0.193 62.951 63.200 -0.095 0.000 0.887 290 S HN 0.638 nan 8.310 nan 0.000 0.447 291 N N 0.389 118.997 118.700 -0.154 0.000 2.387 291 N HA 0.182 4.919 4.740 -0.006 0.000 0.259 291 N C -0.967 174.441 175.510 -0.170 0.000 1.369 291 N CA 0.102 53.064 53.050 -0.148 0.000 0.867 291 N CB 1.162 39.603 38.487 -0.075 0.000 1.341 291 N HN 0.380 nan 8.380 nan 0.000 0.495 292 S N -1.061 114.479 115.700 -0.265 0.000 2.587 292 S HA 0.534 5.000 4.470 -0.006 0.000 0.269 292 S C -1.661 172.703 174.600 -0.394 0.000 1.154 292 S CA -0.996 57.065 58.200 -0.233 0.000 0.824 292 S CB 1.151 64.340 63.200 -0.018 0.000 1.118 292 S HN 0.199 nan 8.310 nan 0.000 0.462 293 W N 1.063 122.362 121.300 -0.001 0.000 2.313 293 W HA 0.667 5.323 4.660 -0.006 0.000 0.328 293 W C -0.366 176.145 176.519 -0.013 0.000 1.197 293 W CA -0.497 56.804 57.345 -0.074 0.000 1.235 293 W CB 0.744 30.194 29.460 -0.016 0.000 1.158 293 W HN 0.603 nan 8.180 nan 0.000 0.578 294 F N 3.182 123.111 119.950 -0.035 0.000 2.444 294 F HA 0.566 5.089 4.527 -0.006 0.000 0.342 294 F C -0.749 174.995 175.800 -0.093 0.000 1.121 294 F CA -1.444 56.520 58.000 -0.059 0.000 0.997 294 F CB 0.596 39.520 39.000 -0.127 0.000 1.130 294 F HN 0.177 nan 8.300 nan 0.000 0.454 295 C N 4.839 123.605 119.300 -0.889 0.000 2.293 295 C HA 0.682 5.139 4.460 -0.006 0.000 0.323 295 C C 0.612 174.893 174.990 -1.181 0.000 1.240 295 C CA -0.922 57.669 59.018 -0.712 0.000 1.497 295 C CB 0.269 27.985 27.740 -0.040 0.000 2.171 295 C HN 1.057 nan 8.230 nan 0.000 0.465 296 G N 4.259 112.414 108.800 -1.075 0.000 2.329 296 G HA2 0.554 4.510 3.960 -0.006 0.000 0.309 296 G HA3 0.554 4.510 3.960 -0.006 0.000 0.309 296 G C -0.463 174.385 174.900 -0.088 0.000 1.110 296 G CA -0.240 44.593 45.100 -0.445 0.000 0.923 296 G HN 0.714 nan 8.290 nan 0.000 0.430 297 L N 4.106 125.354 121.223 0.041 0.000 2.379 297 L HA 0.431 4.768 4.340 -0.006 0.000 0.269 297 L C -1.632 175.328 176.870 0.150 0.000 1.084 297 L CA -1.955 52.989 54.840 0.174 0.000 0.802 297 L CB 2.009 44.155 42.059 0.145 0.000 1.175 297 L HN 0.351 nan 8.230 nan 0.000 0.448 298 P HA 0.082 nan 4.420 nan 0.000 0.274 298 P C 0.323 177.696 177.300 0.121 0.000 1.246 298 P CA -0.337 62.851 63.100 0.146 0.000 0.795 298 P CB 0.975 32.769 31.700 0.157 0.000 1.006 299 G N 0.974 109.836 108.800 0.104 0.000 2.464 299 G HA2 -0.134 3.823 3.960 -0.006 0.000 0.217 299 G HA3 -0.134 3.823 3.960 -0.006 0.000 0.217 299 G C 0.717 175.673 174.900 0.093 0.000 1.138 299 G CA 0.113 45.265 45.100 0.087 0.000 0.793 299 G HN 0.632 nan 8.290 nan 0.000 0.539 300 N N 1.139 119.905 118.700 0.110 0.000 2.447 300 N HA 0.159 4.896 4.740 -0.006 0.000 0.263 300 N C -1.196 174.408 175.510 0.156 0.000 1.226 300 N CA -1.059 52.067 53.050 0.127 0.000 0.906 300 N CB 1.507 40.075 38.487 0.136 0.000 1.060 300 N HN -0.129 nan 8.380 nan 0.000 0.468 301 P HA -0.206 nan 4.420 nan 0.000 0.214 301 P C 1.228 178.784 177.300 0.427 0.000 1.163 301 P CA 0.888 64.120 63.100 0.221 0.000 0.889 301 P CB 0.158 31.937 31.700 0.131 0.000 0.790 302 V N -0.253 119.936 119.914 0.458 0.000 2.287 302 V HA -0.246 3.870 4.120 -0.006 0.000 0.248 302 V C 2.454 178.749 176.094 0.336 0.000 1.053 302 V CA 2.408 64.983 62.300 0.458 0.000 1.027 302 V CB -1.484 30.508 31.823 0.281 0.000 0.646 302 V HN 0.159 nan 8.190 nan 0.000 0.447 303 S N 0.233 116.079 115.700 0.242 0.000 2.353 303 S HA -0.210 4.257 4.470 -0.006 0.000 0.222 303 S C 2.225 176.932 174.600 0.179 0.000 1.035 303 S CA 1.573 59.884 58.200 0.186 0.000 1.025 303 S CB -0.581 62.716 63.200 0.161 0.000 0.902 303 S HN 0.665 nan 8.310 nan 0.000 0.440 304 A N 1.003 123.936 122.820 0.188 0.000 1.933 304 A HA -0.106 4.211 4.320 -0.006 0.000 0.218 304 A C 2.316 180.020 177.584 0.199 0.000 1.175 304 A CA 2.017 54.159 52.037 0.175 0.000 0.628 304 A CB -1.213 17.870 19.000 0.139 0.000 0.814 304 A HN 0.483 nan 8.150 nan 0.000 0.444 305 T N 0.059 114.745 114.554 0.219 0.000 2.777 305 T HA -0.049 4.297 4.350 -0.006 0.000 0.266 305 T C 1.827 176.680 174.700 0.254 0.000 1.040 305 T CA 1.122 63.350 62.100 0.213 0.000 1.141 305 T CB -0.224 68.718 68.868 0.124 0.000 0.868 305 T HN 0.308 nan 8.240 nan 0.000 0.444 306 L N 1.049 122.395 121.223 0.205 0.000 2.072 306 L HA -0.087 4.250 4.340 -0.006 0.000 0.205 306 L C 2.375 179.224 176.870 -0.035 0.000 1.079 306 L CA 1.780 56.670 54.840 0.084 0.000 0.752 306 L CB -1.229 40.857 42.059 0.046 0.000 0.906 306 L HN 0.299 nan 8.230 nan 0.000 0.436 307 T N -0.066 114.484 114.554 -0.007 0.000 2.746 307 T HA -0.235 4.111 4.350 -0.006 0.000 0.267 307 T C 1.599 176.224 174.700 -0.125 0.000 1.039 307 T CA 1.662 63.687 62.100 -0.125 0.000 1.142 307 T CB -0.532 68.308 68.868 -0.047 0.000 0.866 307 T HN 0.366 nan 8.240 nan 0.000 0.444 308 F N 0.688 120.606 119.950 -0.053 0.000 2.095 308 F HA -0.160 4.363 4.527 -0.006 0.000 0.298 308 F C 2.173 177.949 175.800 -0.039 0.000 1.104 308 F CA 1.131 59.108 58.000 -0.039 0.000 1.232 308 F CB -0.456 38.547 39.000 0.004 0.000 0.987 308 F HN 0.147 nan 8.300 nan 0.000 0.475 309 Y N 0.511 120.818 120.300 0.011 0.000 2.242 309 Y HA -0.198 4.348 4.550 -0.006 0.000 0.291 309 Y C 2.278 178.037 175.900 -0.235 0.000 1.137 309 Y CA 1.768 59.838 58.100 -0.049 0.000 1.181 309 Y CB -0.126 38.419 38.460 0.142 0.000 0.989 309 Y HN 0.110 nan 8.280 nan 0.000 0.527 310 Q N -0.959 118.767 119.800 -0.123 0.000 2.396 310 Q HA 0.121 4.457 4.340 -0.006 0.000 0.209 310 Q C 1.783 177.595 176.000 -0.313 0.000 0.906 310 Q CA 0.646 56.297 55.803 -0.254 0.000 0.927 310 Q CB 0.880 29.324 28.738 -0.489 0.000 1.069 310 Q HN 0.520 nan 8.270 nan 0.000 0.523 311 L N -1.363 119.619 121.223 -0.402 0.000 2.586 311 L HA 0.092 4.428 4.340 -0.006 0.000 0.204 311 L C 1.976 178.584 176.870 -0.436 0.000 1.053 311 L CA 0.271 54.835 54.840 -0.459 0.000 0.856 311 L CB 0.175 41.794 42.059 -0.733 0.000 1.192 311 L HN -0.120 nan 8.230 nan 0.000 0.484 312 V N -0.100 119.504 119.914 -0.516 0.000 2.488 312 V HA -0.208 3.908 4.120 -0.006 0.000 0.246 312 V C 2.264 178.014 176.094 -0.574 0.000 1.046 312 V CA 1.484 63.493 62.300 -0.486 0.000 1.053 312 V CB -0.255 31.250 31.823 -0.530 0.000 0.679 312 V HN 0.449 nan 8.190 nan 0.000 0.458 313 Q N 0.207 119.546 119.800 -0.768 0.000 2.061 313 Q HA -0.188 4.149 4.340 -0.006 0.000 0.204 313 Q C -0.186 175.610 176.000 -0.339 0.000 0.984 313 Q CA 2.246 57.706 55.803 -0.573 0.000 0.846 313 Q CB -0.857 27.516 28.738 -0.607 0.000 0.902 313 Q HN 0.511 nan 8.270 nan 0.000 0.421 314 P HA -0.150 nan 4.420 nan 0.000 0.218 314 P C 1.335 178.520 177.300 -0.192 0.000 1.149 314 P CA 0.840 63.812 63.100 -0.214 0.000 0.817 314 P CB -0.148 31.433 31.700 -0.199 0.000 0.785 315 L N -0.830 120.262 121.223 -0.219 0.000 2.046 315 L HA -0.129 4.207 4.340 -0.006 0.000 0.208 315 L C 2.260 179.050 176.870 -0.132 0.000 1.077 315 L CA 1.787 56.515 54.840 -0.186 0.000 0.747 315 L CB -1.246 40.705 42.059 -0.181 0.000 0.896 315 L HN -0.165 nan 8.230 nan 0.000 0.432 316 L N -0.800 120.344 121.223 -0.132 0.000 2.109 316 L HA -0.097 4.240 4.340 -0.006 0.000 0.207 316 L C 2.711 179.541 176.870 -0.068 0.000 1.086 316 L CA 0.960 55.755 54.840 -0.075 0.000 0.760 316 L CB -1.016 41.001 42.059 -0.070 0.000 0.910 316 L HN 0.345 nan 8.230 nan 0.000 0.437 317 A N 0.565 123.327 122.820 -0.096 0.000 1.908 317 A HA -0.285 4.032 4.320 -0.006 0.000 0.218 317 A C 2.386 179.933 177.584 -0.061 0.000 1.181 317 A CA 2.256 54.246 52.037 -0.078 0.000 0.627 317 A CB -0.454 18.489 19.000 -0.096 0.000 0.818 317 A HN 0.355 nan 8.150 nan 0.000 0.445 318 K N -0.422 119.935 120.400 -0.072 0.000 2.025 318 K HA 0.025 4.341 4.320 -0.006 0.000 0.207 318 K C 1.894 178.475 176.600 -0.032 0.000 1.049 318 K CA 1.158 57.411 56.287 -0.058 0.000 0.933 318 K CB -0.331 32.121 32.500 -0.079 0.000 0.714 318 K HN 0.416 nan 8.250 nan 0.000 0.438 319 L N 1.242 122.448 121.223 -0.029 0.000 2.079 319 L HA -0.188 4.148 4.340 -0.006 0.000 0.210 319 L C 2.420 179.301 176.870 0.019 0.000 1.081 319 L CA 1.721 56.569 54.840 0.014 0.000 0.752 319 L CB -0.487 41.595 42.059 0.039 0.000 0.896 319 L HN 0.444 nan 8.230 nan 0.000 0.433 320 S N -1.042 114.658 115.700 0.000 0.000 2.474 320 S HA -0.032 4.435 4.470 -0.006 0.000 0.235 320 S C 1.587 176.187 174.600 -0.001 0.000 0.997 320 S CA 0.802 59.003 58.200 0.001 0.000 0.949 320 S CB 0.147 63.341 63.200 -0.011 0.000 0.766 320 S HN 0.606 nan 8.310 nan 0.000 0.517 321 G N 1.069 109.867 108.800 -0.004 0.000 2.194 321 G HA2 -0.257 3.699 3.960 -0.006 0.000 0.236 321 G HA3 -0.257 3.699 3.960 -0.006 0.000 0.236 321 G C -0.030 174.862 174.900 -0.014 0.000 0.987 321 G CA -0.028 45.070 45.100 -0.004 0.000 0.635 321 G HN 0.651 nan 8.290 nan 0.000 0.520 322 N N 1.427 120.112 118.700 -0.024 0.000 2.412 322 N HA 0.246 4.983 4.740 -0.006 0.000 0.258 322 N C 1.715 177.208 175.510 -0.028 0.000 1.236 322 N CA 1.154 54.185 53.050 -0.032 0.000 0.882 322 N CB 0.949 39.411 38.487 -0.041 0.000 1.066 322 N HN 0.497 nan 8.380 nan 0.000 0.465 323 T N -0.064 114.476 114.554 -0.024 0.000 3.086 323 T HA 0.412 4.758 4.350 -0.006 0.000 0.250 323 T C 0.655 175.342 174.700 -0.021 0.000 1.074 323 T CA -0.257 61.831 62.100 -0.019 0.000 0.988 323 T CB 0.148 69.010 68.868 -0.009 0.000 0.988 323 T HN 0.468 nan 8.240 nan 0.000 0.530 324 A N 1.147 123.951 122.820 -0.027 0.000 2.281 324 A HA 0.756 5.072 4.320 -0.006 0.000 0.329 324 A C 0.308 177.871 177.584 -0.034 0.000 1.122 324 A CA -0.698 51.323 52.037 -0.027 0.000 0.850 324 A CB 1.188 20.172 19.000 -0.028 0.000 1.207 324 A HN 0.279 nan 8.150 nan 0.000 0.495 325 S N -0.526 115.156 115.700 -0.030 0.000 2.548 325 S HA 0.409 4.875 4.470 -0.006 0.000 0.277 325 S C 1.121 175.698 174.600 -0.038 0.000 1.315 325 S CA 0.128 58.306 58.200 -0.036 0.000 1.050 325 S CB 0.662 63.848 63.200 -0.022 0.000 0.918 325 S HN 1.242 nan 8.310 nan 0.000 0.497 326 G N 3.921 112.685 108.800 -0.059 0.000 3.088 326 G HA2 0.255 4.211 3.960 -0.006 0.000 0.217 326 G HA3 0.255 4.211 3.960 -0.006 0.000 0.217 326 G C 0.038 174.895 174.900 -0.072 0.000 1.159 326 G CA -0.194 44.865 45.100 -0.068 0.000 0.760 326 G HN 0.601 nan 8.290 nan 0.000 0.550 327 L N 1.348 122.544 121.223 -0.044 0.000 2.295 327 L HA 0.382 4.718 4.340 -0.006 0.000 0.285 327 L C -2.029 174.889 176.870 0.080 0.000 1.035 327 L CA -1.942 52.906 54.840 0.014 0.000 0.806 327 L CB 2.086 44.159 42.059 0.023 0.000 1.214 327 L HN -0.075 nan 8.230 nan 0.000 0.426 328 P HA 0.129 nan 4.420 nan 0.000 0.270 328 P C -0.783 176.596 177.300 0.131 0.000 1.223 328 P CA -0.366 62.822 63.100 0.146 0.000 0.785 328 P CB 0.604 32.426 31.700 0.204 0.000 0.923 329 A N 2.435 125.313 122.820 0.096 0.000 2.351 329 A HA 0.338 4.654 4.320 -0.006 0.000 0.257 329 A C 0.202 177.840 177.584 0.090 0.000 1.087 329 A CA -0.339 51.744 52.037 0.078 0.000 0.798 329 A CB 0.168 19.198 19.000 0.050 0.000 1.033 329 A HN 0.470 nan 8.150 nan 0.000 0.488 330 R N 0.500 121.045 120.500 0.075 0.000 2.404 330 R HA 0.416 4.753 4.340 -0.006 0.000 0.291 330 R C -0.233 176.095 176.300 0.046 0.000 1.025 330 R CA -0.387 55.756 56.100 0.072 0.000 0.991 330 R CB 1.100 31.438 30.300 0.063 0.000 1.053 330 R HN 0.909 nan 8.270 nan 0.000 0.479 331 Q N 1.707 121.537 119.800 0.049 0.000 2.399 331 Q HA 0.465 4.802 4.340 -0.006 0.000 0.276 331 Q C -0.944 175.086 176.000 0.049 0.000 1.098 331 Q CA -1.144 54.681 55.803 0.037 0.000 0.827 331 Q CB 2.314 31.076 28.738 0.040 0.000 1.386 331 Q HN 0.414 nan 8.270 nan 0.000 0.443 332 R N 1.230 121.754 120.500 0.039 0.000 2.294 332 R HA 0.627 4.964 4.340 -0.006 0.000 0.319 332 R C -1.471 174.982 176.300 0.255 0.000 0.984 332 R CA -0.316 55.829 56.100 0.075 0.000 0.861 332 R CB 1.277 31.513 30.300 -0.107 0.000 1.104 332 R HN 0.572 nan 8.270 nan 0.000 0.451 333 V N 3.838 123.991 119.914 0.398 0.000 3.147 333 V HA 0.454 4.570 4.120 -0.006 0.000 0.306 333 V C -0.450 175.772 176.094 0.215 0.000 1.209 333 V CA -1.059 61.453 62.300 0.353 0.000 1.023 333 V CB 2.410 34.317 31.823 0.140 0.000 1.059 333 V HN 0.789 nan 8.190 nan 0.000 0.435 334 R N 0.709 121.139 120.500 -0.117 0.000 2.410 334 R HA 0.559 4.896 4.340 -0.006 0.000 0.288 334 R C -0.436 175.766 176.300 -0.164 0.000 1.051 334 R CA -0.421 55.472 56.100 -0.345 0.000 1.021 334 R CB 1.251 31.224 30.300 -0.546 0.000 1.032 334 R HN 0.788 nan 8.270 nan 0.000 0.481 335 T N 0.980 115.444 114.554 -0.151 0.000 2.897 335 T HA 0.213 4.559 4.350 -0.006 0.000 0.294 335 T C 0.791 175.420 174.700 -0.119 0.000 1.004 335 T CA -0.517 61.519 62.100 -0.107 0.000 1.106 335 T CB 1.574 70.391 68.868 -0.084 0.000 0.949 335 T HN 0.691 nan 8.240 nan 0.000 0.520 336 A N 2.059 124.823 122.820 -0.094 0.000 2.507 336 A HA 0.557 4.874 4.320 -0.006 0.000 0.270 336 A C 0.631 178.172 177.584 -0.072 0.000 1.318 336 A CA -0.397 51.589 52.037 -0.085 0.000 0.924 336 A CB 0.078 19.033 19.000 -0.074 0.000 1.061 336 A HN 0.606 nan 8.150 nan 0.000 0.516 337 S N -0.743 114.914 115.700 -0.071 0.000 2.564 337 S HA 0.537 5.003 4.470 -0.006 0.000 0.274 337 S C -0.356 174.208 174.600 -0.060 0.000 1.124 337 S CA -0.780 57.383 58.200 -0.061 0.000 0.869 337 S CB 1.727 64.892 63.200 -0.058 0.000 1.105 337 S HN 0.607 nan 8.310 nan 0.000 0.472 338 R N 1.544 122.012 120.500 -0.054 0.000 2.410 338 R HA 0.627 4.963 4.340 -0.006 0.000 0.288 338 R C -1.447 174.824 176.300 -0.049 0.000 1.051 338 R CA -0.370 55.700 56.100 -0.050 0.000 1.021 338 R CB 0.297 30.569 30.300 -0.046 0.000 1.032 338 R HN 0.610 nan 8.270 nan 0.000 0.481 339 L N 4.359 125.555 121.223 -0.045 0.000 2.381 339 L HA 0.449 4.786 4.340 -0.006 0.000 0.274 339 L C -0.481 176.365 176.870 -0.040 0.000 0.988 339 L CA -0.990 53.824 54.840 -0.043 0.000 0.824 339 L CB 2.126 44.162 42.059 -0.038 0.000 1.263 339 L HN 0.615 nan 8.230 nan 0.000 0.410 340 K N 3.224 123.597 120.400 -0.045 0.000 2.258 340 K HA 0.487 4.803 4.320 -0.006 0.000 0.284 340 K C -0.527 176.055 176.600 -0.030 0.000 1.051 340 K CA -0.593 55.669 56.287 -0.041 0.000 0.923 340 K CB 1.134 33.601 32.500 -0.056 0.000 1.046 340 K HN 0.196 nan 8.250 nan 0.000 0.474 341 K N 1.851 122.237 120.400 -0.024 0.000 2.589 341 K HA 0.178 4.495 4.320 -0.006 0.000 0.253 341 K C -1.532 175.060 176.600 -0.014 0.000 0.974 341 K CA -0.283 55.993 56.287 -0.018 0.000 0.835 341 K CB 1.517 34.003 32.500 -0.023 0.000 1.272 341 K HN 0.445 nan 8.250 nan 0.000 0.444 342 T N 6.333 120.882 114.554 -0.007 0.000 2.767 342 T HA 0.457 4.803 4.350 -0.006 0.000 0.288 342 T C -2.485 172.213 174.700 -0.004 0.000 0.963 342 T CA -1.378 60.719 62.100 -0.004 0.000 1.019 342 T CB 1.214 70.084 68.868 0.004 0.000 0.923 342 T HN 0.409 nan 8.240 nan 0.000 0.468 343 P HA 0.299 nan 4.420 nan 0.000 0.268 343 P C 1.097 178.396 177.300 -0.001 0.000 1.208 343 P CA 0.693 63.789 63.100 -0.007 0.000 0.777 343 P CB 0.401 32.097 31.700 -0.006 0.000 0.875 344 G N 1.087 109.885 108.800 -0.003 0.000 2.307 344 G HA2 -0.163 3.794 3.960 -0.006 0.000 0.210 344 G HA3 -0.163 3.794 3.960 -0.006 0.000 0.210 344 G C 0.044 174.948 174.900 0.006 0.000 1.005 344 G CA -0.457 44.645 45.100 0.003 0.000 0.634 344 G HN 0.567 nan 8.290 nan 0.000 0.496 345 R N -0.284 120.220 120.500 0.006 0.000 2.686 345 R HA 0.613 4.950 4.340 -0.006 0.000 0.286 345 R C -0.985 175.311 176.300 -0.006 0.000 0.969 345 R CA -0.968 55.141 56.100 0.014 0.000 0.898 345 R CB 2.344 32.665 30.300 0.035 0.000 1.183 345 R HN 0.242 nan 8.270 nan 0.000 0.456 346 L N 2.502 123.718 121.223 -0.012 0.000 2.369 346 L HA 0.161 4.498 4.340 -0.006 0.000 0.279 346 L C -0.551 176.268 176.870 -0.086 0.000 1.108 346 L CA 0.345 55.136 54.840 -0.082 0.000 0.852 346 L CB 0.320 42.323 42.059 -0.094 0.000 1.169 346 L HN 0.417 nan 8.230 nan 0.000 0.452 347 D N 4.877 125.192 120.400 -0.142 0.000 2.373 347 D HA 0.188 4.825 4.640 -0.006 0.000 0.227 347 D C -0.974 175.242 176.300 -0.141 0.000 1.091 347 D CA -0.132 53.834 54.000 -0.056 0.000 0.840 347 D CB 0.323 41.110 40.800 -0.022 0.000 1.060 347 D HN 0.320 nan 8.370 nan 0.000 0.502 348 F N 3.243 123.177 119.950 -0.027 0.000 2.567 348 F HA 0.204 4.728 4.527 -0.006 0.000 0.352 348 F C 1.350 177.215 175.800 0.108 0.000 1.229 348 F CA -0.447 57.537 58.000 -0.026 0.000 1.228 348 F CB 0.202 39.028 39.000 -0.290 0.000 1.568 348 F HN 0.098 nan 8.300 nan 0.000 0.634 349 Q N 1.705 121.632 119.800 0.212 0.000 2.382 349 Q HA 0.455 4.791 4.340 -0.006 0.000 0.229 349 Q C -0.059 176.060 176.000 0.199 0.000 1.006 349 Q CA -0.695 55.196 55.803 0.147 0.000 0.916 349 Q CB 1.017 29.783 28.738 0.046 0.000 1.235 349 Q HN 0.413 nan 8.270 nan 0.000 0.512 350 R N -0.367 120.144 120.500 0.019 0.000 2.460 350 R HA 0.644 4.981 4.340 -0.006 0.000 0.303 350 R C -0.277 175.931 176.300 -0.153 0.000 0.968 350 R CA -0.094 55.931 56.100 -0.124 0.000 0.889 350 R CB 1.766 31.907 30.300 -0.265 0.000 1.123 350 R HN 0.741 nan 8.270 nan 0.000 0.455 351 G N -0.126 108.538 108.800 -0.226 0.000 2.949 351 G HA2 0.561 4.517 3.960 -0.006 0.000 0.285 351 G HA3 0.561 4.517 3.960 -0.006 0.000 0.285 351 G C -1.523 173.224 174.900 -0.255 0.000 1.395 351 G CA -0.578 44.407 45.100 -0.192 0.000 0.901 351 G HN 0.332 nan 8.290 nan 0.000 0.519 352 V N 0.897 120.702 119.914 -0.182 0.000 2.357 352 V HA 0.322 4.438 4.120 -0.006 0.000 0.281 352 V C -0.437 175.579 176.094 -0.129 0.000 1.015 352 V CA -0.533 61.668 62.300 -0.166 0.000 0.827 352 V CB 0.935 32.689 31.823 -0.115 0.000 1.018 352 V HN 0.597 nan 8.190 nan 0.000 0.432 353 L N 5.701 126.840 121.223 -0.140 0.000 2.410 353 L HA 0.490 4.826 4.340 -0.006 0.000 0.273 353 L C 0.177 177.006 176.870 -0.068 0.000 1.152 353 L CA 0.968 55.753 54.840 -0.092 0.000 0.855 353 L CB 0.753 42.758 42.059 -0.090 0.000 1.129 353 L HN 0.877 nan 8.230 nan 0.000 0.463 354 Q N 4.768 124.538 119.800 -0.049 0.000 2.534 354 Q HA 0.382 4.719 4.340 -0.006 0.000 0.290 354 Q C -1.225 174.759 176.000 -0.027 0.000 0.991 354 Q CA -1.039 54.742 55.803 -0.037 0.000 0.783 354 Q CB 1.181 29.895 28.738 -0.040 0.000 1.470 354 Q HN 0.592 nan 8.270 nan 0.000 0.406 355 R N 1.982 122.470 120.500 -0.020 0.000 2.267 355 R HA 0.170 4.506 4.340 -0.006 0.000 0.319 355 R C -0.127 176.161 176.300 -0.019 0.000 1.067 355 R CA -0.043 56.048 56.100 -0.014 0.000 0.936 355 R CB 0.358 30.653 30.300 -0.008 0.000 1.006 355 R HN 0.725 nan 8.270 nan 0.000 0.452 356 N N 2.906 121.593 118.700 -0.021 0.000 2.379 356 N HA 0.068 4.805 4.740 -0.006 0.000 0.260 356 N C 0.664 176.164 175.510 -0.018 0.000 1.254 356 N CA -0.031 53.005 53.050 -0.024 0.000 0.958 356 N CB 0.478 38.946 38.487 -0.031 0.000 1.208 356 N HN 0.423 nan 8.380 nan 0.000 0.532 357 A N -0.638 122.172 122.820 -0.018 0.000 2.019 357 A HA -0.152 4.165 4.320 -0.006 0.000 0.219 357 A C 0.682 178.259 177.584 -0.011 0.000 1.164 357 A CA 1.441 53.469 52.037 -0.014 0.000 0.644 357 A CB -0.800 18.191 19.000 -0.015 0.000 0.805 357 A HN 0.808 nan 8.150 nan 0.000 0.449 358 D N -1.279 119.113 120.400 -0.013 0.000 2.538 358 D HA 0.287 4.924 4.640 -0.006 0.000 0.234 358 D C 1.134 177.432 176.300 -0.004 0.000 1.191 358 D CA 0.632 54.627 54.000 -0.009 0.000 0.828 358 D CB -0.534 40.259 40.800 -0.011 0.000 0.981 358 D HN 0.561 nan 8.370 nan 0.000 0.490 359 G N 0.906 109.704 108.800 -0.003 0.000 2.220 359 G HA2 -0.338 3.618 3.960 -0.006 0.000 0.269 359 G HA3 -0.338 3.618 3.960 -0.006 0.000 0.269 359 G C 0.156 175.059 174.900 0.006 0.000 0.977 359 G CA 0.131 45.232 45.100 0.002 0.000 0.634 359 G HN 0.466 nan 8.290 nan 0.000 0.539 360 E N -0.113 120.088 120.200 0.001 0.000 2.259 360 E HA 0.469 4.815 4.350 -0.006 0.000 0.281 360 E C -0.067 176.533 176.600 -0.000 0.000 1.027 360 E CA -0.889 55.514 56.400 0.006 0.000 0.838 360 E CB 0.841 30.540 29.700 -0.002 0.000 1.066 360 E HN 0.116 nan 8.360 nan 0.000 0.401 361 L N 4.462 125.693 121.223 0.013 0.000 2.360 361 L HA 0.089 4.425 4.340 -0.006 0.000 0.276 361 L C 0.008 176.877 176.870 -0.001 0.000 1.121 361 L CA 0.750 55.595 54.840 0.008 0.000 0.845 361 L CB 0.230 42.304 42.059 0.025 0.000 1.143 361 L HN 0.534 nan 8.230 nan 0.000 0.452 362 E N 3.213 123.398 120.200 -0.025 0.000 2.416 362 E HA 0.754 5.100 4.350 -0.006 0.000 0.273 362 E C -1.518 175.054 176.600 -0.048 0.000 0.935 362 E CA -1.119 55.254 56.400 -0.045 0.000 0.784 362 E CB 1.672 31.330 29.700 -0.070 0.000 1.301 362 E HN 0.183 nan 8.360 nan 0.000 0.454 363 V N -0.514 119.367 119.914 -0.056 0.000 2.667 363 V HA 0.678 4.795 4.120 -0.006 0.000 0.308 363 V C -0.312 175.740 176.094 -0.070 0.000 1.048 363 V CA -0.667 61.594 62.300 -0.064 0.000 0.928 363 V CB 1.466 33.253 31.823 -0.059 0.000 1.004 363 V HN 0.804 nan 8.190 nan 0.000 0.444 364 T N 1.313 115.821 114.554 -0.076 0.000 2.893 364 T HA 0.432 4.779 4.350 -0.006 0.000 0.291 364 T C -0.046 174.608 174.700 -0.078 0.000 1.028 364 T CA -0.318 61.739 62.100 -0.072 0.000 0.995 364 T CB 1.741 70.570 68.868 -0.066 0.000 1.051 364 T HN 1.000 nan 8.240 nan 0.000 0.470 365 T N 1.124 115.637 114.554 -0.069 0.000 2.926 365 T HA 0.138 4.485 4.350 -0.006 0.000 0.307 365 T C 1.768 176.424 174.700 -0.074 0.000 1.059 365 T CA 0.383 62.441 62.100 -0.070 0.000 1.122 365 T CB 0.354 69.187 68.868 -0.057 0.000 0.972 365 T HN 0.792 nan 8.240 nan 0.000 0.545 366 T N 1.662 116.164 114.554 -0.087 0.000 2.951 366 T HA 0.394 4.740 4.350 -0.006 0.000 0.268 366 T C 1.322 175.990 174.700 -0.053 0.000 1.073 366 T CA 0.727 62.775 62.100 -0.086 0.000 1.134 366 T CB -0.404 68.391 68.868 -0.122 0.000 0.884 366 T HN 1.236 nan 8.240 nan 0.000 0.479 367 G N 0.241 109.019 108.800 -0.037 0.000 2.233 367 G HA2 0.036 3.993 3.960 -0.006 0.000 0.162 367 G HA3 0.036 3.993 3.960 -0.006 0.000 0.162 367 G C -0.872 174.049 174.900 0.034 0.000 1.327 367 G CA -0.481 44.618 45.100 -0.001 0.000 1.187 367 G HN 0.694 nan 8.290 nan 0.000 0.479 368 H N 1.218 120.277 119.070 -0.019 0.000 2.897 368 H HA 0.442 4.994 4.556 -0.006 0.000 0.347 368 H C 0.797 176.120 175.328 -0.008 0.000 1.068 368 H CA 0.357 56.414 56.048 0.015 0.000 1.426 368 H CB 0.780 30.585 29.762 0.072 0.000 1.410 368 H HN 0.292 nan 8.280 nan 0.000 0.597 369 Q N 3.557 123.559 119.800 0.336 0.000 2.155 369 Q HA 0.182 4.519 4.340 -0.006 0.000 0.220 369 Q C 0.564 176.704 176.000 0.234 0.000 0.819 369 Q CA 0.016 55.919 55.803 0.167 0.000 1.032 369 Q CB 1.272 30.052 28.738 0.069 0.000 1.151 369 Q HN 0.793 nan 8.270 nan 0.000 0.487 370 G N 1.059 110.133 108.800 0.457 0.000 2.569 370 G HA2 0.166 4.123 3.960 -0.006 0.000 0.249 370 G HA3 0.166 4.123 3.960 -0.006 0.000 0.249 370 G C 0.696 175.740 174.900 0.240 0.000 1.216 370 G CA -0.046 45.285 45.100 0.385 0.000 0.845 370 G HN 0.217 nan 8.290 nan 0.000 0.568 371 S N -0.608 115.238 115.700 0.244 0.000 2.634 371 S HA -0.014 4.452 4.470 -0.006 0.000 0.221 371 S C 1.409 176.117 174.600 0.181 0.000 0.952 371 S CA 0.465 58.768 58.200 0.172 0.000 0.930 371 S CB -0.332 62.966 63.200 0.165 0.000 0.780 371 S HN 0.825 nan 8.310 nan 0.000 0.498 372 H N 1.531 120.615 119.070 0.023 0.000 2.551 372 H HA 0.388 4.940 4.556 -0.006 0.000 0.266 372 H C 0.647 175.995 175.328 0.032 0.000 0.964 372 H CA -0.054 56.005 56.048 0.017 0.000 1.180 372 H CB -0.491 29.252 29.762 -0.031 0.000 1.408 372 H HN 0.696 nan 8.280 nan 0.000 0.563 373 I N -4.803 115.547 120.570 -0.367 0.000 3.042 373 I HA 0.340 4.507 4.170 -0.006 0.000 0.310 373 I C -0.243 175.883 176.117 0.015 0.000 1.117 373 I CA -1.316 59.861 61.300 -0.205 0.000 1.003 373 I CB 1.728 39.498 38.000 -0.383 0.000 1.228 373 I HN -0.195 nan 8.210 nan 0.000 0.443 374 F N 1.408 121.328 119.950 -0.050 0.000 2.704 374 F HA 0.115 4.639 4.527 -0.005 0.000 0.304 374 F C 2.292 178.116 175.800 0.040 0.000 1.094 374 F CA 0.681 58.716 58.000 0.057 0.000 1.275 374 F CB 0.433 39.494 39.000 0.102 0.000 1.073 374 F HN 0.659 nan 8.300 nan 0.000 0.586 375 S N -0.878 114.835 115.700 0.021 0.000 2.442 375 S HA -0.184 4.282 4.470 -0.006 0.000 0.236 375 S C 2.232 176.744 174.600 -0.146 0.000 1.007 375 S CA 1.087 59.274 58.200 -0.022 0.000 0.965 375 S CB -1.061 62.127 63.200 -0.021 0.000 0.773 375 S HN 0.423 nan 8.310 nan 0.000 0.504 376 S N 1.155 116.676 115.700 -0.298 0.000 2.419 376 S HA -0.032 4.434 4.470 -0.006 0.000 0.233 376 S C 1.461 175.790 174.600 -0.452 0.000 1.016 376 S CA 0.651 58.626 58.200 -0.375 0.000 0.974 376 S CB -1.119 61.798 63.200 -0.472 0.000 0.786 376 S HN 0.573 nan 8.310 nan 0.000 0.492 377 F N 1.479 121.170 119.950 -0.432 0.000 2.234 377 F HA 0.036 4.560 4.527 -0.006 0.000 0.299 377 F C 3.068 178.705 175.800 -0.271 0.000 1.087 377 F CA 0.998 58.630 58.000 -0.614 0.000 1.340 377 F CB -0.367 38.002 39.000 -1.053 0.000 1.031 377 F HN 0.291 nan 8.300 nan 0.000 0.500 378 S N 0.211 115.921 115.700 0.017 0.000 2.356 378 S HA -0.026 4.441 4.470 -0.006 0.000 0.219 378 S C 2.011 176.642 174.600 0.051 0.000 1.036 378 S CA 0.669 58.913 58.200 0.074 0.000 0.965 378 S CB -0.355 62.892 63.200 0.079 0.000 0.864 378 S HN 0.205 nan 8.310 nan 0.000 0.471 379 L N 1.222 122.442 121.223 -0.004 0.000 2.083 379 L HA 0.076 4.413 4.340 -0.006 0.000 0.209 379 L C 1.607 178.451 176.870 -0.044 0.000 1.083 379 L CA 0.583 55.408 54.840 -0.025 0.000 0.752 379 L CB -0.932 41.097 42.059 -0.051 0.000 0.899 379 L HN 0.294 nan 8.230 nan 0.000 0.433 380 G N 0.018 108.786 108.800 -0.053 0.000 2.572 380 G HA2 0.164 4.120 3.960 -0.006 0.000 0.261 380 G HA3 0.164 4.120 3.960 -0.006 0.000 0.261 380 G C 0.293 175.089 174.900 -0.174 0.000 1.197 380 G CA -0.005 45.002 45.100 -0.155 0.000 0.870 380 G HN 0.429 nan 8.290 nan 0.000 0.548 381 N N -2.282 116.062 118.700 -0.593 0.000 2.143 381 N HA 0.120 4.856 4.740 -0.006 0.000 0.229 381 N C 0.025 174.741 175.510 -1.324 0.000 1.294 381 N CA 0.177 52.806 53.050 -0.702 0.000 0.883 381 N CB -0.289 38.053 38.487 -0.240 0.000 1.148 381 N HN 0.792 nan 8.380 nan 0.000 0.511 382 C N -2.283 115.942 119.300 -1.792 0.000 3.306 382 C HA 0.752 5.209 4.460 -0.006 0.000 0.335 382 C C -1.313 173.148 174.990 -0.882 0.000 1.382 382 C CA -1.650 56.678 59.018 -1.149 0.000 1.254 382 C CB 0.037 27.517 27.740 -0.434 0.000 1.555 382 C HN 0.054 nan 8.230 nan 0.000 0.463 383 F N 1.170 121.070 119.950 -0.084 0.000 2.422 383 F HA 0.686 5.210 4.527 -0.006 0.000 0.333 383 F C 0.495 176.298 175.800 0.006 0.000 1.095 383 F CA -0.672 57.372 58.000 0.074 0.000 1.038 383 F CB 1.275 40.451 39.000 0.292 0.000 1.156 383 F HN 0.406 nan 8.300 nan 0.000 0.483 384 I N 3.860 124.540 120.570 0.183 0.000 2.297 384 I HA 0.208 4.374 4.170 -0.006 0.000 0.291 384 I C -0.757 175.367 176.117 0.012 0.000 1.033 384 I CA -0.593 60.748 61.300 0.067 0.000 1.253 384 I CB 1.031 39.039 38.000 0.014 0.000 1.396 384 I HN 0.211 nan 8.210 nan 0.000 0.476 385 V N 8.084 127.959 119.914 -0.066 0.000 2.284 385 V HA 0.274 4.391 4.120 -0.006 0.000 0.260 385 V C 0.276 176.234 176.094 -0.227 0.000 1.084 385 V CA -0.364 61.756 62.300 -0.300 0.000 0.894 385 V CB 0.222 31.839 31.823 -0.344 0.000 1.119 385 V HN 0.496 nan 8.190 nan 0.000 0.484 386 L N 3.634 124.734 121.223 -0.206 0.000 2.326 386 L HA 0.450 4.787 4.340 -0.006 0.000 0.278 386 L C 0.542 177.325 176.870 -0.145 0.000 1.092 386 L CA -0.623 54.141 54.840 -0.127 0.000 0.810 386 L CB 1.127 43.138 42.059 -0.080 0.000 1.153 386 L HN 0.489 nan 8.230 nan 0.000 0.439 387 E N 1.328 121.469 120.200 -0.098 0.000 2.418 387 E HA 0.004 4.351 4.350 -0.006 0.000 0.261 387 E C 0.857 177.413 176.600 -0.073 0.000 1.070 387 E CA 0.021 56.368 56.400 -0.088 0.000 0.931 387 E CB 0.579 30.245 29.700 -0.057 0.000 0.954 387 E HN 0.351 nan 8.360 nan 0.000 0.439 388 R N 1.801 122.261 120.500 -0.066 0.000 2.094 388 R HA -0.214 4.123 4.340 -0.006 0.000 0.239 388 R C 0.446 176.728 176.300 -0.031 0.000 1.137 388 R CA 1.991 58.064 56.100 -0.045 0.000 0.943 388 R CB 0.044 30.322 30.300 -0.036 0.000 0.850 388 R HN 0.548 nan 8.270 nan 0.000 0.433 389 D N -0.194 120.189 120.400 -0.028 0.000 2.340 389 D HA -0.033 4.604 4.640 -0.006 0.000 0.220 389 D C 0.370 176.659 176.300 -0.018 0.000 1.039 389 D CA 0.219 54.207 54.000 -0.020 0.000 0.866 389 D CB -0.013 40.777 40.800 -0.018 0.000 0.913 389 D HN 0.192 nan 8.370 nan 0.000 0.523 390 R N 0.445 120.931 120.500 -0.023 0.000 2.582 390 R HA 0.406 4.742 4.340 -0.006 0.000 0.271 390 R C 0.553 176.842 176.300 -0.018 0.000 1.078 390 R CA -0.103 55.985 56.100 -0.020 0.000 1.127 390 R CB 0.837 31.123 30.300 -0.024 0.000 1.038 390 R HN 0.016 nan 8.270 nan 0.000 0.500 391 G N 1.299 110.090 108.800 -0.015 0.000 2.971 391 G HA2 0.159 4.115 3.960 -0.006 0.000 0.235 391 G HA3 0.159 4.115 3.960 -0.006 0.000 0.235 391 G C -0.765 174.125 174.900 -0.017 0.000 1.351 391 G CA -0.795 44.297 45.100 -0.014 0.000 1.039 391 G HN 0.622 nan 8.290 nan 0.000 0.563 392 N N -1.075 117.615 118.700 -0.018 0.000 2.265 392 N HA 0.134 4.871 4.740 -0.006 0.000 0.231 392 N C -0.413 175.084 175.510 -0.022 0.000 1.266 392 N CA 0.343 53.380 53.050 -0.022 0.000 0.862 392 N CB 1.118 39.591 38.487 -0.023 0.000 1.100 392 N HN 0.147 nan 8.380 nan 0.000 0.439 393 V N 1.041 120.939 119.914 -0.027 0.000 2.638 393 V HA 0.238 4.354 4.120 -0.006 0.000 0.306 393 V C -0.095 175.977 176.094 -0.037 0.000 1.052 393 V CA -0.842 61.441 62.300 -0.028 0.000 0.885 393 V CB 2.220 34.028 31.823 -0.026 0.000 0.999 393 V HN 0.469 nan 8.190 nan 0.000 0.424 394 E N 1.813 121.988 120.200 -0.041 0.000 2.248 394 E HA 0.461 4.807 4.350 -0.006 0.000 0.272 394 E C -0.393 176.165 176.600 -0.069 0.000 1.008 394 E CA -0.702 55.669 56.400 -0.050 0.000 0.856 394 E CB 2.189 31.861 29.700 -0.046 0.000 1.120 394 E HN 0.413 nan 8.360 nan 0.000 0.397 395 V N 1.972 121.844 119.914 -0.070 0.000 2.726 395 V HA 0.090 4.206 4.120 -0.006 0.000 0.304 395 V C 1.596 177.621 176.094 -0.115 0.000 1.115 395 V CA 2.145 64.392 62.300 -0.088 0.000 1.264 395 V CB 0.049 31.826 31.823 -0.077 0.000 0.867 395 V HN 1.029 nan 8.190 nan 0.000 0.498 396 G N 3.171 111.874 108.800 -0.162 0.000 2.279 396 G HA2 -0.196 3.760 3.960 -0.006 0.000 0.223 396 G HA3 -0.196 3.760 3.960 -0.006 0.000 0.223 396 G C 0.143 174.846 174.900 -0.327 0.000 1.015 396 G CA 0.137 45.098 45.100 -0.232 0.000 0.621 396 G HN 0.673 nan 8.290 nan 0.000 0.506 397 E N -0.171 119.899 120.200 -0.216 0.000 2.437 397 E HA 0.245 4.591 4.350 -0.006 0.000 0.263 397 E C -0.129 176.346 176.600 -0.209 0.000 1.030 397 E CA -0.218 56.076 56.400 -0.177 0.000 0.934 397 E CB 0.394 30.059 29.700 -0.060 0.000 0.943 397 E HN 0.430 nan 8.360 nan 0.000 0.444 398 W N 1.542 122.828 121.300 -0.024 0.000 2.218 398 W HA 0.347 5.004 4.660 -0.004 0.000 0.326 398 W C -0.285 176.216 176.519 -0.029 0.000 1.276 398 W CA -0.301 57.029 57.345 -0.024 0.000 1.210 398 W CB 0.823 30.270 29.460 -0.022 0.000 1.143 398 W HN 0.129 nan 8.180 nan 0.000 0.563 399 V N 3.018 123.097 119.914 0.274 0.000 2.932 399 V HA 0.169 4.286 4.120 -0.006 0.000 0.307 399 V C -0.443 175.718 176.094 0.113 0.000 1.147 399 V CA -1.211 61.165 62.300 0.127 0.000 0.951 399 V CB 2.100 33.957 31.823 0.056 0.000 1.031 399 V HN 0.334 nan 8.190 nan 0.000 0.426 400 E N 2.123 122.355 120.200 0.053 0.000 2.338 400 E HA 0.514 4.861 4.350 -0.006 0.000 0.272 400 E C -0.909 175.715 176.600 0.039 0.000 1.029 400 E CA 0.007 56.428 56.400 0.036 0.000 0.872 400 E CB 1.966 31.665 29.700 -0.002 0.000 1.015 400 E HN 0.342 nan 8.360 nan 0.000 0.417 401 V N 2.501 122.450 119.914 0.057 0.000 2.760 401 V HA 0.210 4.327 4.120 -0.006 0.000 0.309 401 V C -0.613 175.540 176.094 0.098 0.000 1.077 401 V CA -0.629 61.710 62.300 0.065 0.000 0.910 401 V CB 2.217 34.063 31.823 0.039 0.000 1.008 401 V HN 0.639 nan 8.190 nan 0.000 0.424 402 E N 6.476 126.771 120.200 0.157 0.000 2.235 402 E HA 0.471 4.817 4.350 -0.006 0.000 0.252 402 E C -2.790 173.938 176.600 0.214 0.000 0.886 402 E CA -2.080 54.460 56.400 0.232 0.000 0.767 402 E CB 2.414 32.334 29.700 0.367 0.000 1.205 402 E HN 0.375 nan 8.360 nan 0.000 0.421 403 P HA -0.012 nan 4.420 nan 0.000 0.265 403 P C -0.590 176.874 177.300 0.274 0.000 1.193 403 P CA -0.011 63.139 63.100 0.084 0.000 0.765 403 P CB 0.109 31.864 31.700 0.093 0.000 0.823 404 F N 2.687 122.691 119.950 0.090 0.000 2.623 404 F HA -0.027 4.497 4.527 -0.004 0.000 0.383 404 F C 1.653 177.613 175.800 0.267 0.000 1.077 404 F CA -0.181 57.938 58.000 0.199 0.000 1.268 404 F CB -0.771 38.320 39.000 0.151 0.000 1.053 404 F HN 0.382 nan 8.300 nan 0.000 0.571 405 N N 2.038 121.072 118.700 0.556 0.000 2.328 405 N HA 0.253 4.989 4.740 -0.006 0.000 0.277 405 N C 0.904 176.549 175.510 0.225 0.000 1.286 405 N CA 0.112 53.355 53.050 0.320 0.000 0.949 405 N CB -0.231 38.394 38.487 0.230 0.000 1.136 405 N HN 0.456 nan 8.380 nan 0.000 0.550 406 A N -0.610 122.285 122.820 0.125 0.000 2.076 406 A HA -0.068 4.248 4.320 -0.006 0.000 0.220 406 A C 2.232 179.823 177.584 0.012 0.000 1.160 406 A CA 1.045 53.128 52.037 0.076 0.000 0.653 406 A CB -1.105 17.925 19.000 0.051 0.000 0.801 406 A HN 0.623 nan 8.150 nan 0.000 0.455 407 L N -2.287 118.889 121.223 -0.077 0.000 2.127 407 L HA -0.164 4.173 4.340 -0.006 0.000 0.211 407 L C 1.443 178.060 176.870 -0.422 0.000 1.089 407 L CA 1.258 55.920 54.840 -0.297 0.000 0.757 407 L CB -0.468 41.315 42.059 -0.461 0.000 0.899 407 L HN 0.490 nan 8.230 nan 0.000 0.434 408 F N -0.464 119.489 119.950 0.005 0.000 2.668 408 F HA 0.427 4.950 4.527 -0.006 0.000 0.301 408 F C 1.290 177.130 175.800 0.066 0.000 1.106 408 F CA -0.039 57.924 58.000 -0.062 0.000 1.289 408 F CB 0.324 39.094 39.000 -0.384 0.000 1.006 408 F HN 0.112 nan 8.300 nan 0.000 0.535 409 G N 0.000 108.919 108.800 0.198 0.000 5.446 409 G HA2 0.000 3.956 3.960 -0.006 0.000 0.244 409 G HA3 0.000 3.956 3.960 -0.006 0.000 0.244 409 G CA 0.000 45.203 45.100 0.172 0.000 0.502 409 G HN 0.000 nan 8.290 nan 0.000 0.925