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 1i0a_1_A DATA FIRST_RESID 11 DATA SEQUENCE GRFVGSVDPI MEILSSSIST EQRLTEVDIQ ASMAYAKALE KASILTKTEL DATA SEQUENCE EKILSGLEKI SEESSKGVLV MTQSDEDIQT AIERRLKELI GDIAGKLQTG DATA SEQUENCE RSRNEQVVTD LKLLLKSSIS VISTHLLQLI KTLVERAAIE IDIIMPGYTH DATA SEQUENCE LQKALPIRWS QFLLSHAVAL TRDSERLGEV KKRITVLPLG SGVLAGNPLE DATA SEQUENCE IDRELLRSEL DMTSITLNSI DAISERDFVV ELISVATLLM IHLSKLAEDL DATA SEQUENCE IIFSTTEFGF VTLSDAYSTG SSLLPQKKNP DSLELIRSKA GRVFGRLAAI DATA SEQUENCE LMVLKGIPST FSKDLQEDKE AVLDVVDTLT AVLQVATGVI STLQINKENM DATA SEQUENCE EKALTPELLS TDLALYLVRK GMPIRQAQTA SGKAVHLAET KGITINNLTL DATA SEQUENCE EDLKSISPLF ASDVSQVFSV VNSVEQYTAV GGTAKSSVTA QIEQLRELLK DATA SEQUENCE KQK 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 11 G HA2 0.000 nan 3.960 nan 0.000 0.244 11 G HA3 0.000 3.962 3.960 0.003 0.000 0.244 11 G C 0.000 174.987 174.900 0.145 0.000 0.946 11 G CA 0.000 45.207 45.100 0.178 0.000 0.502 12 R N -0.086 120.485 120.500 0.118 0.000 3.090 12 R HA 0.332 4.674 4.340 0.003 0.000 0.279 12 R C -2.016 174.228 176.300 -0.093 0.000 1.462 12 R CA -0.544 55.591 56.100 0.058 0.000 1.044 12 R CB 0.233 30.513 30.300 -0.033 0.000 1.365 12 R HN 0.303 nan 8.270 nan 0.000 0.399 13 F N 4.283 124.232 119.950 -0.002 0.000 2.325 13 F HA 0.304 4.833 4.527 0.003 0.000 0.369 13 F C 0.882 176.681 175.800 -0.001 0.000 1.095 13 F CA -0.569 57.430 58.000 -0.001 0.000 1.082 13 F CB 1.922 40.921 39.000 -0.001 0.000 1.289 13 F HN 0.168 nan 8.300 nan 0.000 0.462 14 V N 1.612 121.575 119.914 0.082 0.000 2.795 14 V HA 0.428 4.550 4.120 0.003 0.000 0.243 14 V C 1.496 177.624 176.094 0.057 0.000 1.069 14 V CA 1.188 63.522 62.300 0.057 0.000 1.089 14 V CB -0.244 31.589 31.823 0.016 0.000 0.756 14 V HN 1.001 nan 8.190 nan 0.000 0.471 15 G N -0.414 108.416 108.800 0.050 0.000 1.844 15 G HA2 0.170 4.132 3.960 0.003 0.000 0.177 15 G HA3 0.170 4.132 3.960 0.003 0.000 0.177 15 G C 0.454 175.368 174.900 0.023 0.000 1.010 15 G CA 0.376 45.504 45.100 0.047 0.000 1.257 15 G HN 0.991 nan 8.290 nan 0.000 0.428 16 S N -0.704 115.005 115.700 0.016 0.000 2.901 16 S HA 0.801 5.273 4.470 0.003 0.000 0.248 16 S C 0.631 175.234 174.600 0.004 0.000 1.021 16 S CA 0.920 59.125 58.200 0.008 0.000 1.090 16 S CB 0.674 63.881 63.200 0.012 0.000 1.039 16 S HN 2.043 nan 8.310 nan 0.000 0.514 17 V N -0.709 119.206 119.914 0.002 0.000 4.290 17 V HA 0.255 4.377 4.120 0.003 0.000 0.159 17 V C -1.003 175.089 176.094 -0.004 0.000 1.350 17 V CA 1.068 63.368 62.300 0.001 0.000 1.154 17 V CB 0.259 32.085 31.823 0.005 0.000 1.236 17 V HN 0.433 nan 8.190 nan 0.000 0.608 18 D N 1.469 121.867 120.400 -0.003 0.000 3.845 18 D HA -0.113 4.529 4.640 0.003 0.000 0.227 18 D C -1.397 174.900 176.300 -0.006 0.000 1.092 18 D CA 0.886 54.882 54.000 -0.007 0.000 1.148 18 D CB 0.127 40.916 40.800 -0.018 0.000 0.803 18 D HN 0.475 nan 8.370 nan 0.000 0.395 19 P HA -0.129 nan 4.420 nan 0.000 0.220 19 P C 2.154 179.452 177.300 -0.004 0.000 1.148 19 P CA 0.557 63.656 63.100 -0.002 0.000 0.803 19 P CB 0.117 31.817 31.700 0.001 0.000 0.782 20 I N -0.748 119.818 120.570 -0.006 0.000 2.423 20 I HA -0.201 3.971 4.170 0.003 0.000 0.254 20 I C 2.644 178.755 176.117 -0.011 0.000 1.151 20 I CA 1.334 62.629 61.300 -0.008 0.000 1.421 20 I CB -0.408 37.586 38.000 -0.010 0.000 1.079 20 I HN -0.049 nan 8.210 nan 0.000 0.431 21 M N 0.096 119.688 119.600 -0.012 0.000 2.562 21 M HA -0.155 4.327 4.480 0.003 0.000 0.257 21 M C 1.864 178.158 176.300 -0.010 0.000 1.099 21 M CA 1.244 56.536 55.300 -0.014 0.000 1.099 21 M CB 0.123 32.713 32.600 -0.016 0.000 1.427 21 M HN 0.027 nan 8.290 nan 0.000 0.489 22 E N 0.989 121.185 120.200 -0.006 0.000 2.216 22 E HA -0.108 4.243 4.350 0.003 0.000 0.192 22 E C 1.578 178.176 176.600 -0.004 0.000 0.988 22 E CA 0.986 57.384 56.400 -0.003 0.000 0.834 22 E CB -0.440 29.259 29.700 -0.001 0.000 0.772 22 E HN 0.755 nan 8.360 nan 0.000 0.479 23 I N -2.076 118.490 120.570 -0.006 0.000 3.564 23 I HA 0.065 4.236 4.170 0.003 0.000 0.294 23 I C 1.095 177.207 176.117 -0.009 0.000 1.289 23 I CA 0.473 61.769 61.300 -0.006 0.000 1.325 23 I CB -0.011 37.985 38.000 -0.006 0.000 1.039 23 I HN -0.004 nan 8.210 nan 0.000 0.474 24 L N 0.282 121.498 121.223 -0.011 0.000 2.585 24 L HA 0.251 4.593 4.340 0.003 0.000 0.226 24 L C 0.948 177.809 176.870 -0.014 0.000 1.113 24 L CA -0.050 54.781 54.840 -0.015 0.000 0.876 24 L CB 0.042 42.090 42.059 -0.019 0.000 1.072 24 L HN 0.174 nan 8.230 nan 0.000 0.468 25 S N -0.666 115.028 115.700 -0.009 0.000 2.669 25 S HA 0.238 4.710 4.470 0.003 0.000 0.270 25 S C 0.432 175.031 174.600 -0.003 0.000 1.225 25 S CA -0.614 57.583 58.200 -0.005 0.000 0.991 25 S CB 1.443 64.645 63.200 0.003 0.000 0.987 25 S HN 0.080 nan 8.310 nan 0.000 0.552 26 S N 2.659 118.360 115.700 0.001 0.000 2.626 26 S HA 0.045 4.517 4.470 0.003 0.000 0.303 26 S C 0.684 175.286 174.600 0.003 0.000 1.256 26 S CA -0.430 57.772 58.200 0.003 0.000 1.069 26 S CB -0.203 63.003 63.200 0.010 0.000 0.807 26 S HN 0.769 nan 8.310 nan 0.000 0.500 27 S N 3.330 119.031 115.700 0.001 0.000 2.579 27 S HA 0.238 4.710 4.470 0.003 0.000 0.275 27 S C 1.282 175.884 174.600 0.004 0.000 1.345 27 S CA -0.778 57.423 58.200 0.002 0.000 1.031 27 S CB 0.140 63.340 63.200 -0.000 0.000 0.892 27 S HN 0.596 nan 8.310 nan 0.000 0.529 28 I N 1.690 122.263 120.570 0.004 0.000 2.361 28 I HA -0.217 3.955 4.170 0.003 0.000 0.251 28 I C 2.722 178.843 176.117 0.006 0.000 1.133 28 I CA 1.486 62.789 61.300 0.005 0.000 1.413 28 I CB -0.693 37.309 38.000 0.004 0.000 1.073 28 I HN 0.905 nan 8.210 nan 0.000 0.424 29 S N -0.496 115.207 115.700 0.005 0.000 2.402 29 S HA -0.149 4.323 4.470 0.003 0.000 0.229 29 S C 1.918 176.522 174.600 0.007 0.000 1.021 29 S CA 1.615 59.818 58.200 0.005 0.000 0.974 29 S CB -0.710 62.493 63.200 0.004 0.000 0.800 29 S HN 0.358 nan 8.310 nan 0.000 0.484 30 T N 2.043 116.601 114.554 0.007 0.000 2.809 30 T HA 0.037 4.389 4.350 0.003 0.000 0.260 30 T C 1.816 176.523 174.700 0.012 0.000 1.039 30 T CA 1.156 63.262 62.100 0.009 0.000 1.141 30 T CB -0.289 68.583 68.868 0.008 0.000 0.869 30 T HN 0.363 nan 8.240 nan 0.000 0.437 31 E N 1.573 121.780 120.200 0.012 0.000 2.085 31 E HA -0.142 4.210 4.350 0.003 0.000 0.194 31 E C 2.428 179.035 176.600 0.012 0.000 0.994 31 E CA 0.965 57.373 56.400 0.013 0.000 0.801 31 E CB -0.292 29.415 29.700 0.011 0.000 0.743 31 E HN 0.485 nan 8.360 nan 0.000 0.453 32 Q N 0.251 120.057 119.800 0.010 0.000 2.234 32 Q HA -0.125 4.217 4.340 0.003 0.000 0.206 32 Q C 1.973 177.980 176.000 0.011 0.000 0.980 32 Q CA 0.749 56.557 55.803 0.009 0.000 0.869 32 Q CB -0.218 28.525 28.738 0.008 0.000 0.912 32 Q HN 0.179 nan 8.270 nan 0.000 0.436 33 R N 0.293 120.801 120.500 0.013 0.000 2.241 33 R HA -0.027 4.315 4.340 0.003 0.000 0.224 33 R C 1.685 177.995 176.300 0.016 0.000 1.101 33 R CA 0.614 56.723 56.100 0.015 0.000 0.995 33 R CB -0.147 30.163 30.300 0.017 0.000 0.870 33 R HN 0.274 nan 8.270 nan 0.000 0.463 34 L N -0.548 120.684 121.223 0.015 0.000 2.728 34 L HA 0.120 4.461 4.340 0.003 0.000 0.238 34 L C 2.072 178.948 176.870 0.009 0.000 1.143 34 L CA 0.089 54.938 54.840 0.015 0.000 0.937 34 L CB 0.215 42.285 42.059 0.019 0.000 1.225 34 L HN -0.022 nan 8.230 nan 0.000 0.507 35 T N -0.317 114.242 114.554 0.008 0.000 2.684 35 T HA -0.192 4.160 4.350 0.003 0.000 0.267 35 T C 1.878 176.581 174.700 0.005 0.000 1.036 35 T CA 1.717 63.821 62.100 0.006 0.000 1.148 35 T CB 0.112 68.983 68.868 0.006 0.000 0.863 35 T HN 0.247 nan 8.240 nan 0.000 0.436 36 E N 0.709 120.913 120.200 0.006 0.000 2.031 36 E HA -0.088 4.264 4.350 0.003 0.000 0.193 36 E C 2.509 179.111 176.600 0.004 0.000 0.994 36 E CA 1.621 58.025 56.400 0.006 0.000 0.800 36 E CB -0.846 28.858 29.700 0.007 0.000 0.752 36 E HN 0.632 nan 8.360 nan 0.000 0.447 37 V N -0.405 119.511 119.914 0.003 0.000 2.594 37 V HA -0.218 3.903 4.120 0.003 0.000 0.253 37 V C 1.940 178.032 176.094 -0.004 0.000 1.069 37 V CA 2.347 64.647 62.300 -0.001 0.000 1.082 37 V CB -0.672 31.151 31.823 -0.001 0.000 0.680 37 V HN 0.031 nan 8.190 nan 0.000 0.469 38 D N -0.042 120.357 120.400 -0.003 0.000 2.234 38 D HA -0.075 4.567 4.640 0.003 0.000 0.205 38 D C 1.968 178.266 176.300 -0.004 0.000 0.962 38 D CA 1.023 55.018 54.000 -0.008 0.000 0.855 38 D CB -0.012 40.783 40.800 -0.008 0.000 0.951 38 D HN 0.395 nan 8.370 nan 0.000 0.500 39 I N 0.670 121.241 120.570 0.001 0.000 2.286 39 I HA -0.179 3.993 4.170 0.003 0.000 0.245 39 I C 2.186 178.309 176.117 0.010 0.000 1.104 39 I CA 1.125 62.428 61.300 0.006 0.000 1.397 39 I CB -1.188 36.815 38.000 0.006 0.000 1.072 39 I HN 0.239 nan 8.210 nan 0.000 0.417 40 Q N 0.913 120.717 119.800 0.007 0.000 2.050 40 Q HA -0.135 4.207 4.340 0.003 0.000 0.202 40 Q C 2.469 178.479 176.000 0.016 0.000 0.980 40 Q CA 1.832 57.641 55.803 0.009 0.000 0.840 40 Q CB -0.282 28.459 28.738 0.004 0.000 0.898 40 Q HN 0.527 nan 8.270 nan 0.000 0.424 41 A N 0.772 123.598 122.820 0.009 0.000 1.908 41 A HA -0.204 4.118 4.320 0.003 0.000 0.218 41 A C 2.285 179.894 177.584 0.042 0.000 1.181 41 A CA 1.866 53.911 52.037 0.013 0.000 0.627 41 A CB -0.573 18.418 19.000 -0.015 0.000 0.818 41 A HN 0.258 nan 8.150 nan 0.000 0.445 42 S N -0.764 114.957 115.700 0.034 0.000 2.402 42 S HA -0.085 4.387 4.470 0.003 0.000 0.229 42 S C 1.968 176.623 174.600 0.091 0.000 1.021 42 S CA 1.538 59.778 58.200 0.067 0.000 0.974 42 S CB -0.340 62.881 63.200 0.035 0.000 0.800 42 S HN 0.573 nan 8.310 nan 0.000 0.484 43 M N 0.987 120.620 119.600 0.055 0.000 2.132 43 M HA -0.088 4.393 4.480 0.003 0.000 0.263 43 M C 2.452 178.780 176.300 0.045 0.000 1.065 43 M CA 1.405 56.729 55.300 0.041 0.000 1.122 43 M CB -0.452 32.162 32.600 0.024 0.000 1.365 43 M HN 0.408 nan 8.290 nan 0.000 0.411 44 A N -0.739 122.115 122.820 0.056 0.000 1.898 44 A HA -0.216 4.106 4.320 0.003 0.000 0.216 44 A C 1.957 179.587 177.584 0.076 0.000 1.181 44 A CA 1.365 53.434 52.037 0.053 0.000 0.620 44 A CB -1.055 17.977 19.000 0.053 0.000 0.819 44 A HN 0.543 nan 8.150 nan 0.000 0.442 45 Y N 0.638 120.929 120.300 -0.015 0.000 2.224 45 Y HA -0.088 4.464 4.550 0.003 0.000 0.289 45 Y C 2.684 178.576 175.900 -0.013 0.000 1.146 45 Y CA 0.937 59.027 58.100 -0.016 0.000 1.182 45 Y CB -0.509 37.941 38.460 -0.017 0.000 0.983 45 Y HN 0.323 nan 8.280 nan 0.000 0.524 46 A N 0.249 123.091 122.820 0.038 0.000 1.883 46 A HA -0.232 4.090 4.320 0.003 0.000 0.217 46 A C 2.241 179.775 177.584 -0.085 0.000 1.186 46 A CA 2.095 54.115 52.037 -0.029 0.000 0.624 46 A CB -0.582 18.430 19.000 0.020 0.000 0.822 46 A HN 0.492 nan 8.150 nan 0.000 0.444 47 K N -0.378 119.988 120.400 -0.057 0.000 2.097 47 K HA -0.076 4.245 4.320 0.003 0.000 0.206 47 K C 2.239 178.780 176.600 -0.098 0.000 1.049 47 K CA 1.129 57.380 56.287 -0.060 0.000 0.933 47 K CB -0.321 32.159 32.500 -0.034 0.000 0.717 47 K HN 0.457 nan 8.250 nan 0.000 0.442 48 A N 1.252 123.985 122.820 -0.145 0.000 1.969 48 A HA -0.091 4.231 4.320 0.003 0.000 0.218 48 A C 2.061 179.505 177.584 -0.232 0.000 1.169 48 A CA 1.069 52.996 52.037 -0.182 0.000 0.635 48 A CB -0.464 18.406 19.000 -0.217 0.000 0.810 48 A HN 0.149 nan 8.150 nan 0.000 0.445 49 L N -0.798 120.240 121.223 -0.308 0.000 2.093 49 L HA -0.135 4.207 4.340 0.003 0.000 0.208 49 L C 2.731 179.518 176.870 -0.139 0.000 1.085 49 L CA 1.406 56.090 54.840 -0.261 0.000 0.755 49 L CB -0.417 41.478 42.059 -0.272 0.000 0.904 49 L HN 0.478 nan 8.230 nan 0.000 0.435 50 E N 1.124 121.258 120.200 -0.109 0.000 2.077 50 E HA -0.275 4.077 4.350 0.003 0.000 0.193 50 E C 2.072 178.634 176.600 -0.063 0.000 0.989 50 E CA 1.308 57.666 56.400 -0.069 0.000 0.800 50 E CB 0.078 29.746 29.700 -0.053 0.000 0.746 50 E HN 0.348 nan 8.360 nan 0.000 0.452 51 K N -0.114 120.244 120.400 -0.071 0.000 2.283 51 K HA -0.043 4.279 4.320 0.003 0.000 0.202 51 K C 1.507 178.072 176.600 -0.057 0.000 1.048 51 K CA 1.037 57.290 56.287 -0.057 0.000 0.948 51 K CB -0.049 32.416 32.500 -0.058 0.000 0.742 51 K HN 0.059 nan 8.250 nan 0.000 0.458 52 A N 0.098 122.874 122.820 -0.074 0.000 2.307 52 A HA 0.096 4.418 4.320 0.003 0.000 0.218 52 A C 0.799 178.352 177.584 -0.051 0.000 1.228 52 A CA 0.634 52.633 52.037 -0.064 0.000 0.857 52 A CB -0.108 18.841 19.000 -0.084 0.000 0.897 52 A HN 0.340 nan 8.150 nan 0.000 0.495 53 S N -1.393 114.278 115.700 -0.049 0.000 3.586 53 S HA -0.140 4.332 4.470 0.003 0.000 0.309 53 S C 0.907 175.486 174.600 -0.036 0.000 1.195 53 S CA 0.971 59.149 58.200 -0.037 0.000 0.895 53 S CB -1.687 61.496 63.200 -0.028 0.000 0.983 53 S HN 0.482 nan 8.310 nan 0.000 0.563 54 I N -0.125 120.416 120.570 -0.048 0.000 2.867 54 I HA 0.265 4.437 4.170 0.003 0.000 0.265 54 I C 1.066 177.162 176.117 -0.033 0.000 1.162 54 I CA 1.054 62.330 61.300 -0.040 0.000 1.471 54 I CB -0.331 37.637 38.000 -0.054 0.000 1.123 54 I HN 0.380 nan 8.210 nan 0.000 0.440 55 L N 0.769 121.967 121.223 -0.042 0.000 2.365 55 L HA 0.315 4.657 4.340 0.003 0.000 0.273 55 L C 0.535 177.388 176.870 -0.028 0.000 1.000 55 L CA -0.545 54.276 54.840 -0.031 0.000 0.819 55 L CB 1.973 44.010 42.059 -0.036 0.000 1.284 55 L HN 0.077 nan 8.230 nan 0.000 0.418 56 T N -1.973 112.569 114.554 -0.020 0.000 2.816 56 T HA 0.151 4.503 4.350 0.003 0.000 0.282 56 T C 0.890 175.580 174.700 -0.017 0.000 0.993 56 T CA -0.558 61.531 62.100 -0.017 0.000 0.994 56 T CB 1.485 70.346 68.868 -0.012 0.000 1.025 56 T HN 0.517 nan 8.240 nan 0.000 0.529 57 K N 0.327 120.717 120.400 -0.016 0.000 2.147 57 K HA -0.033 4.289 4.320 0.003 0.000 0.205 57 K C 2.284 178.877 176.600 -0.011 0.000 1.049 57 K CA 1.733 58.012 56.287 -0.014 0.000 0.936 57 K CB -1.096 31.396 32.500 -0.013 0.000 0.722 57 K HN 0.754 nan 8.250 nan 0.000 0.446 58 T N 0.780 115.329 114.554 -0.009 0.000 2.737 58 T HA -0.095 4.257 4.350 0.003 0.000 0.265 58 T C 1.359 176.055 174.700 -0.006 0.000 1.038 58 T CA 1.632 63.728 62.100 -0.007 0.000 1.144 58 T CB -0.183 68.681 68.868 -0.006 0.000 0.866 58 T HN 0.399 nan 8.240 nan 0.000 0.434 59 E N 0.662 120.858 120.200 -0.007 0.000 2.106 59 E HA -0.071 4.281 4.350 0.003 0.000 0.192 59 E C 2.148 178.745 176.600 -0.005 0.000 0.984 59 E CA 0.654 57.051 56.400 -0.005 0.000 0.806 59 E CB -0.249 29.447 29.700 -0.006 0.000 0.750 59 E HN 0.226 nan 8.360 nan 0.000 0.458 60 L N 1.706 122.923 121.223 -0.010 0.000 2.046 60 L HA -0.183 4.159 4.340 0.003 0.000 0.208 60 L C 1.876 178.743 176.870 -0.006 0.000 1.077 60 L CA 1.830 56.664 54.840 -0.011 0.000 0.747 60 L CB -0.159 41.890 42.059 -0.017 0.000 0.896 60 L HN 0.013 nan 8.230 nan 0.000 0.432 61 E N -0.612 119.585 120.200 -0.006 0.000 2.077 61 E HA -0.220 4.132 4.350 0.003 0.000 0.193 61 E C 2.122 178.722 176.600 -0.001 0.000 0.989 61 E CA 1.286 57.684 56.400 -0.003 0.000 0.800 61 E CB -0.084 29.613 29.700 -0.004 0.000 0.746 61 E HN 0.491 nan 8.360 nan 0.000 0.452 62 K N 0.370 120.770 120.400 -0.001 0.000 2.148 62 K HA -0.068 4.254 4.320 0.003 0.000 0.204 62 K C 2.132 178.734 176.600 0.004 0.000 1.050 62 K CA 0.767 57.055 56.287 0.001 0.000 0.942 62 K CB 0.000 32.501 32.500 0.001 0.000 0.724 62 K HN 0.144 nan 8.250 nan 0.000 0.446 63 I N 1.119 121.692 120.570 0.004 0.000 2.202 63 I HA -0.269 3.903 4.170 0.003 0.000 0.242 63 I C 2.154 178.277 176.117 0.009 0.000 1.091 63 I CA 1.149 62.455 61.300 0.009 0.000 1.368 63 I CB -0.142 37.864 38.000 0.011 0.000 1.058 63 I HN 0.104 nan 8.210 nan 0.000 0.410 64 L N -0.411 120.816 121.223 0.006 0.000 2.141 64 L HA -0.193 4.149 4.340 0.003 0.000 0.209 64 L C 2.685 179.558 176.870 0.006 0.000 1.094 64 L CA 1.082 55.926 54.840 0.007 0.000 0.763 64 L CB -0.522 41.539 42.059 0.003 0.000 0.908 64 L HN 0.238 nan 8.230 nan 0.000 0.437 65 S N 0.075 115.778 115.700 0.004 0.000 2.368 65 S HA -0.104 4.368 4.470 0.003 0.000 0.224 65 S C 2.034 176.637 174.600 0.005 0.000 1.029 65 S CA 1.308 59.510 58.200 0.004 0.000 0.988 65 S CB -0.330 62.871 63.200 0.002 0.000 0.838 65 S HN 0.498 nan 8.310 nan 0.000 0.462 66 G N 1.611 110.415 108.800 0.005 0.000 2.418 66 G HA2 -0.105 3.856 3.960 0.003 0.000 0.217 66 G HA3 -0.105 3.856 3.960 0.003 0.000 0.217 66 G C 1.427 176.332 174.900 0.007 0.000 1.158 66 G CA 0.851 45.954 45.100 0.006 0.000 0.771 66 G HN 0.512 nan 8.290 nan 0.000 0.545 67 L N -0.142 121.086 121.223 0.009 0.000 2.083 67 L HA -0.038 4.303 4.340 0.003 0.000 0.209 67 L C 2.789 179.664 176.870 0.008 0.000 1.083 67 L CA 1.265 56.111 54.840 0.009 0.000 0.752 67 L CB -0.290 41.777 42.059 0.013 0.000 0.899 67 L HN 0.207 nan 8.230 nan 0.000 0.433 68 E N 0.496 120.700 120.200 0.007 0.000 2.077 68 E HA -0.254 4.098 4.350 0.003 0.000 0.193 68 E C 2.033 178.635 176.600 0.005 0.000 0.989 68 E CA 1.225 57.628 56.400 0.005 0.000 0.800 68 E CB 0.058 29.761 29.700 0.004 0.000 0.746 68 E HN 0.086 nan 8.360 nan 0.000 0.452 69 K N 0.381 120.784 120.400 0.005 0.000 2.026 69 K HA -0.056 4.265 4.320 0.003 0.000 0.208 69 K C 1.887 178.490 176.600 0.005 0.000 1.048 69 K CA 1.467 57.756 56.287 0.004 0.000 0.929 69 K CB -0.429 32.073 32.500 0.004 0.000 0.713 69 K HN 0.208 nan 8.250 nan 0.000 0.439 70 I N 0.161 120.734 120.570 0.005 0.000 2.361 70 I HA -0.257 3.915 4.170 0.003 0.000 0.251 70 I C 2.365 178.485 176.117 0.005 0.000 1.133 70 I CA 1.192 62.495 61.300 0.005 0.000 1.413 70 I CB -0.398 37.605 38.000 0.005 0.000 1.073 70 I HN 0.238 nan 8.210 nan 0.000 0.424 71 S N 0.568 116.272 115.700 0.005 0.000 2.359 71 S HA -0.287 4.185 4.470 0.003 0.000 0.224 71 S C 2.074 176.677 174.600 0.005 0.000 1.035 71 S CA 1.991 60.195 58.200 0.005 0.000 1.018 71 S CB -0.270 62.933 63.200 0.005 0.000 0.876 71 S HN 0.520 nan 8.310 nan 0.000 0.448 72 E N 0.325 120.528 120.200 0.005 0.000 2.085 72 E HA -0.223 4.129 4.350 0.003 0.000 0.194 72 E C 1.929 178.532 176.600 0.005 0.000 0.994 72 E CA 1.514 57.917 56.400 0.005 0.000 0.801 72 E CB -0.236 29.466 29.700 0.004 0.000 0.743 72 E HN 0.671 nan 8.360 nan 0.000 0.453 73 E N -0.091 120.112 120.200 0.005 0.000 2.110 73 E HA -0.134 4.218 4.350 0.003 0.000 0.193 73 E C 2.235 178.838 176.600 0.005 0.000 0.988 73 E CA 1.210 57.612 56.400 0.004 0.000 0.804 73 E CB 0.053 29.755 29.700 0.004 0.000 0.745 73 E HN 0.157 nan 8.360 nan 0.000 0.458 74 S N 0.553 116.256 115.700 0.005 0.000 2.356 74 S HA -0.176 4.296 4.470 0.003 0.000 0.223 74 S C 2.218 176.822 174.600 0.006 0.000 1.032 74 S CA 1.335 59.539 58.200 0.006 0.000 1.005 74 S CB -0.258 62.946 63.200 0.006 0.000 0.867 74 S HN 0.387 nan 8.310 nan 0.000 0.449 75 S N 2.103 117.807 115.700 0.006 0.000 2.368 75 S HA -0.073 4.399 4.470 0.003 0.000 0.225 75 S C 1.582 176.185 174.600 0.006 0.000 1.030 75 S CA 0.978 59.182 58.200 0.007 0.000 0.999 75 S CB -0.457 62.747 63.200 0.006 0.000 0.844 75 S HN 0.415 nan 8.310 nan 0.000 0.459 76 K N 1.034 121.437 120.400 0.006 0.000 2.515 76 K HA 0.132 4.454 4.320 0.003 0.000 0.196 76 K C 1.234 177.837 176.600 0.005 0.000 1.038 76 K CA 0.410 56.700 56.287 0.005 0.000 0.967 76 K CB -0.637 31.866 32.500 0.005 0.000 0.780 76 K HN 0.650 nan 8.250 nan 0.000 0.483 77 G N 1.514 110.317 108.800 0.005 0.000 2.198 77 G HA2 -0.242 3.719 3.960 0.003 0.000 0.260 77 G HA3 -0.242 3.719 3.960 0.003 0.000 0.260 77 G C 0.456 175.359 174.900 0.005 0.000 1.025 77 G CA 0.461 45.564 45.100 0.005 0.000 0.769 77 G HN 0.305 nan 8.290 nan 0.000 0.507 78 V N -2.560 117.357 119.914 0.004 0.000 3.214 78 V HA 0.570 4.692 4.120 0.003 0.000 0.330 78 V C 0.943 177.039 176.094 0.004 0.000 1.403 78 V CA -0.336 61.967 62.300 0.004 0.000 1.143 78 V CB 0.667 32.493 31.823 0.004 0.000 1.098 78 V HN 0.436 nan 8.190 nan 0.000 0.463 79 L N 2.391 123.617 121.223 0.004 0.000 2.342 79 L HA 0.452 4.794 4.340 0.003 0.000 0.285 79 L C 0.028 176.901 176.870 0.004 0.000 1.095 79 L CA 0.055 54.897 54.840 0.004 0.000 0.843 79 L CB 1.427 43.489 42.059 0.004 0.000 1.201 79 L HN 0.312 nan 8.230 nan 0.000 0.445 80 V N 7.663 127.579 119.914 0.004 0.000 2.686 80 V HA 0.271 4.393 4.120 0.003 0.000 0.295 80 V C 0.003 176.099 176.094 0.003 0.000 1.055 80 V CA -0.182 62.120 62.300 0.003 0.000 1.050 80 V CB 1.543 33.368 31.823 0.003 0.000 0.984 80 V HN 0.884 nan 8.190 nan 0.000 0.482 81 M N 6.784 126.386 119.600 0.003 0.000 2.326 81 M HA 0.583 5.065 4.480 0.003 0.000 0.292 81 M C -0.479 175.823 176.300 0.003 0.000 1.081 81 M CA -0.353 54.949 55.300 0.004 0.000 0.919 81 M CB 2.164 34.767 32.600 0.004 0.000 1.634 81 M HN 0.846 nan 8.290 nan 0.000 0.451 82 T N -0.005 114.551 114.554 0.003 0.000 2.948 82 T HA 0.324 4.675 4.350 0.003 0.000 0.285 82 T C 0.551 175.253 174.700 0.004 0.000 1.019 82 T CA -0.595 61.507 62.100 0.003 0.000 1.013 82 T CB 1.728 70.597 68.868 0.003 0.000 1.117 82 T HN 0.870 nan 8.240 nan 0.000 0.533 83 Q N 0.115 119.917 119.800 0.003 0.000 2.170 83 Q HA -0.091 4.251 4.340 0.003 0.000 0.203 83 Q C 2.256 178.259 176.000 0.004 0.000 0.976 83 Q CA 1.445 57.250 55.803 0.004 0.000 0.858 83 Q CB -0.305 28.435 28.738 0.003 0.000 0.907 83 Q HN 0.801 nan 8.270 nan 0.000 0.433 84 S N 1.030 116.732 115.700 0.004 0.000 2.399 84 S HA -0.087 4.385 4.470 0.003 0.000 0.231 84 S C 0.080 174.683 174.600 0.004 0.000 1.022 84 S CA 0.774 58.977 58.200 0.004 0.000 0.983 84 S CB -0.068 63.135 63.200 0.004 0.000 0.803 84 S HN 0.386 nan 8.310 nan 0.000 0.480 85 D N 1.934 122.336 120.400 0.004 0.000 2.374 85 D HA 0.138 4.780 4.640 0.003 0.000 0.240 85 D C 0.609 176.912 176.300 0.005 0.000 1.229 85 D CA 0.048 54.050 54.000 0.004 0.000 0.895 85 D CB 0.791 41.593 40.800 0.003 0.000 1.046 85 D HN 0.415 nan 8.370 nan 0.000 0.498 86 E N 1.063 121.267 120.200 0.007 0.000 2.268 86 E HA -0.107 4.245 4.350 0.003 0.000 0.195 86 E C 0.023 176.630 176.600 0.012 0.000 0.995 86 E CA 0.769 57.175 56.400 0.010 0.000 0.836 86 E CB 0.227 29.935 29.700 0.013 0.000 0.763 86 E HN 0.574 nan 8.360 nan 0.000 0.491 87 D N -1.587 118.819 120.400 0.011 0.000 2.610 87 D HA 0.090 4.731 4.640 0.003 0.000 0.271 87 D C 0.387 176.691 176.300 0.007 0.000 1.174 87 D CA -0.769 53.238 54.000 0.012 0.000 0.949 87 D CB 0.394 41.204 40.800 0.017 0.000 1.430 87 D HN -0.204 nan 8.370 nan 0.000 0.467 88 I N -0.093 120.481 120.570 0.007 0.000 2.493 88 I HA -0.190 3.982 4.170 0.003 0.000 0.254 88 I C 1.805 177.921 176.117 -0.002 0.000 1.160 88 I CA 1.683 62.985 61.300 0.004 0.000 1.445 88 I CB -0.324 37.680 38.000 0.006 0.000 1.086 88 I HN 0.372 nan 8.210 nan 0.000 0.433 89 Q N -0.415 119.381 119.800 -0.006 0.000 2.084 89 Q HA -0.159 4.183 4.340 0.003 0.000 0.202 89 Q C 2.203 178.194 176.000 -0.015 0.000 0.978 89 Q CA 2.512 58.305 55.803 -0.017 0.000 0.844 89 Q CB -0.690 28.030 28.738 -0.029 0.000 0.898 89 Q HN 0.442 nan 8.270 nan 0.000 0.426 90 T N 0.415 114.963 114.554 -0.011 0.000 2.737 90 T HA -0.119 4.233 4.350 0.003 0.000 0.265 90 T C 1.873 176.570 174.700 -0.004 0.000 1.038 90 T CA 1.180 63.275 62.100 -0.008 0.000 1.144 90 T CB -0.488 68.378 68.868 -0.004 0.000 0.866 90 T HN 0.407 nan 8.240 nan 0.000 0.434 91 A N 1.315 124.134 122.820 -0.002 0.000 1.908 91 A HA -0.059 4.263 4.320 0.003 0.000 0.218 91 A C 2.292 179.876 177.584 -0.000 0.000 1.181 91 A CA 1.328 53.365 52.037 0.000 0.000 0.627 91 A CB -0.842 18.159 19.000 0.002 0.000 0.818 91 A HN 0.532 nan 8.150 nan 0.000 0.445 92 I N -0.596 119.973 120.570 -0.001 0.000 2.394 92 I HA -0.226 3.945 4.170 0.003 0.000 0.251 92 I C 2.420 178.537 176.117 -0.000 0.000 1.136 92 I CA 1.402 62.702 61.300 -0.001 0.000 1.425 92 I CB -0.429 37.570 38.000 -0.002 0.000 1.079 92 I HN 0.465 nan 8.210 nan 0.000 0.425 93 E N 0.503 120.702 120.200 -0.003 0.000 2.107 93 E HA -0.224 4.128 4.350 0.003 0.000 0.191 93 E C 2.230 178.830 176.600 0.001 0.000 0.982 93 E CA 0.674 57.073 56.400 -0.001 0.000 0.809 93 E CB -0.114 29.583 29.700 -0.006 0.000 0.756 93 E HN 0.379 nan 8.360 nan 0.000 0.459 94 R N 1.247 121.747 120.500 0.000 0.000 2.073 94 R HA -0.168 4.173 4.340 0.003 0.000 0.234 94 R C 2.370 178.671 176.300 0.002 0.000 1.134 94 R CA 1.468 57.569 56.100 0.001 0.000 0.952 94 R CB -0.037 30.263 30.300 0.001 0.000 0.850 94 R HN -0.102 nan 8.270 nan 0.000 0.433 95 R N 0.893 121.394 120.500 0.002 0.000 2.120 95 R HA -0.035 4.307 4.340 0.003 0.000 0.234 95 R C 2.127 178.429 176.300 0.004 0.000 1.123 95 R CA 1.317 57.419 56.100 0.003 0.000 0.975 95 R CB -0.772 29.530 30.300 0.003 0.000 0.866 95 R HN 0.384 nan 8.270 nan 0.000 0.446 96 L N 0.138 121.364 121.223 0.005 0.000 2.056 96 L HA -0.131 4.211 4.340 0.003 0.000 0.207 96 L C 2.244 179.118 176.870 0.006 0.000 1.078 96 L CA 1.679 56.523 54.840 0.006 0.000 0.749 96 L CB -0.338 41.726 42.059 0.008 0.000 0.901 96 L HN 0.266 nan 8.230 nan 0.000 0.433 97 K N 0.076 120.479 120.400 0.005 0.000 2.147 97 K HA -0.219 4.103 4.320 0.003 0.000 0.205 97 K C 1.775 178.377 176.600 0.004 0.000 1.049 97 K CA 1.382 57.671 56.287 0.005 0.000 0.936 97 K CB 0.082 32.585 32.500 0.004 0.000 0.722 97 K HN 0.356 nan 8.250 nan 0.000 0.446 98 E N -0.114 120.088 120.200 0.004 0.000 2.150 98 E HA -0.156 4.196 4.350 0.003 0.000 0.193 98 E C 1.233 177.835 176.600 0.003 0.000 0.985 98 E CA 1.183 57.585 56.400 0.003 0.000 0.814 98 E CB 0.122 29.824 29.700 0.003 0.000 0.752 98 E HN 0.313 nan 8.360 nan 0.000 0.466 99 L N -2.536 118.690 121.223 0.004 0.000 2.766 99 L HA 0.301 4.643 4.340 0.003 0.000 0.242 99 L C 1.218 178.091 176.870 0.004 0.000 1.136 99 L CA 0.488 55.330 54.840 0.003 0.000 0.933 99 L CB 0.500 42.561 42.059 0.004 0.000 1.241 99 L HN -0.072 nan 8.230 nan 0.000 0.522 100 I N -0.145 120.427 120.570 0.004 0.000 4.624 100 I HA 0.663 4.835 4.170 0.003 0.000 0.327 100 I C 1.257 177.376 176.117 0.004 0.000 1.295 100 I CA 0.588 61.891 61.300 0.004 0.000 1.267 100 I CB 0.613 38.617 38.000 0.005 0.000 1.249 100 I HN 0.400 nan 8.210 nan 0.000 0.440 101 G N 0.632 109.435 108.800 0.004 0.000 2.660 101 G HA2 -0.258 3.704 3.960 0.003 0.000 0.215 101 G HA3 -0.258 3.704 3.960 0.003 0.000 0.215 101 G C 0.297 175.200 174.900 0.004 0.000 1.345 101 G CA 0.028 45.130 45.100 0.004 0.000 0.877 101 G HN 0.053 nan 8.290 nan 0.000 0.549 102 D N -0.148 120.255 120.400 0.004 0.000 2.203 102 D HA -0.121 4.521 4.640 0.003 0.000 0.199 102 D C 2.544 178.848 176.300 0.006 0.000 0.997 102 D CA 1.522 55.525 54.000 0.005 0.000 0.863 102 D CB -0.165 40.638 40.800 0.004 0.000 0.928 102 D HN 0.501 nan 8.370 nan 0.000 0.458 103 I N 0.997 121.570 120.570 0.006 0.000 2.248 103 I HA -0.332 3.840 4.170 0.003 0.000 0.248 103 I C 2.460 178.583 176.117 0.010 0.000 1.107 103 I CA 1.086 62.390 61.300 0.006 0.000 1.373 103 I CB -0.367 37.636 38.000 0.005 0.000 1.055 103 I HN -0.040 nan 8.210 nan 0.000 0.418 104 A N 1.216 124.042 122.820 0.011 0.000 1.948 104 A HA -0.213 4.108 4.320 0.003 0.000 0.220 104 A C 2.430 180.025 177.584 0.018 0.000 1.177 104 A CA 2.081 54.126 52.037 0.014 0.000 0.636 104 A CB -1.484 17.523 19.000 0.011 0.000 0.815 104 A HN 0.500 nan 8.150 nan 0.000 0.449 105 G N -0.696 108.113 108.800 0.014 0.000 2.498 105 G HA2 -0.197 3.765 3.960 0.003 0.000 0.219 105 G HA3 -0.197 3.765 3.960 0.003 0.000 0.219 105 G C 1.488 176.402 174.900 0.023 0.000 1.119 105 G CA 0.972 46.081 45.100 0.015 0.000 0.766 105 G HN 0.633 nan 8.290 nan 0.000 0.552 106 K N -0.315 120.100 120.400 0.025 0.000 2.432 106 K HA 0.265 4.587 4.320 0.003 0.000 0.196 106 K C 2.063 178.697 176.600 0.057 0.000 1.038 106 K CA -0.172 56.133 56.287 0.031 0.000 0.986 106 K CB -0.033 32.477 32.500 0.018 0.000 0.782 106 K HN 0.263 nan 8.250 nan 0.000 0.485 107 L N 1.734 122.997 121.223 0.068 0.000 2.201 107 L HA -0.163 4.178 4.340 0.003 0.000 0.212 107 L C 2.019 178.998 176.870 0.183 0.000 1.105 107 L CA 1.318 56.233 54.840 0.124 0.000 0.775 107 L CB -0.067 42.048 42.059 0.094 0.000 0.913 107 L HN 0.312 nan 8.230 nan 0.000 0.440 108 Q N -1.060 118.797 119.800 0.094 0.000 2.282 108 Q HA 0.049 4.391 4.340 0.003 0.000 0.205 108 Q C -0.038 176.011 176.000 0.083 0.000 0.915 108 Q CA -0.102 55.733 55.803 0.053 0.000 0.949 108 Q CB -0.525 28.213 28.738 0.001 0.000 1.035 108 Q HN 0.204 nan 8.270 nan 0.000 0.484 109 T N 1.729 116.368 114.554 0.142 0.000 2.784 109 T HA 0.279 4.631 4.350 0.003 0.000 0.291 109 T C 1.106 175.910 174.700 0.172 0.000 0.942 109 T CA 0.765 62.934 62.100 0.115 0.000 1.161 109 T CB 0.663 69.579 68.868 0.080 0.000 0.885 109 T HN 0.675 nan 8.240 nan 0.000 0.534 110 G N 3.275 112.134 108.800 0.098 0.000 2.175 110 G HA2 -0.288 3.674 3.960 0.003 0.000 0.265 110 G HA3 -0.288 3.674 3.960 0.003 0.000 0.265 110 G C 0.208 175.150 174.900 0.071 0.000 0.979 110 G CA 0.355 45.512 45.100 0.096 0.000 0.663 110 G HN 0.779 nan 8.290 nan 0.000 0.533 111 R N 0.101 120.597 120.500 -0.007 0.000 2.532 111 R HA 0.642 4.983 4.340 0.003 0.000 0.295 111 R C -0.259 175.948 176.300 -0.155 0.000 0.968 111 R CA 0.148 56.131 56.100 -0.195 0.000 0.916 111 R CB 1.306 31.322 30.300 -0.474 0.000 1.124 111 R HN 0.232 nan 8.270 nan 0.000 0.463 112 S N 1.595 117.188 115.700 -0.178 0.000 2.568 112 S HA 0.267 4.739 4.470 0.003 0.000 0.302 112 S C 0.718 175.198 174.600 -0.201 0.000 1.082 112 S CA -0.752 57.347 58.200 -0.169 0.000 1.009 112 S CB 1.859 64.959 63.200 -0.166 0.000 1.069 112 S HN 0.782 nan 8.310 nan 0.000 0.500 113 R N 2.192 122.571 120.500 -0.201 0.000 2.148 113 R HA 0.012 4.354 4.340 0.003 0.000 0.227 113 R C 1.428 177.554 176.300 -0.289 0.000 1.103 113 R CA 1.666 57.647 56.100 -0.199 0.000 0.983 113 R CB -0.281 29.923 30.300 -0.159 0.000 0.874 113 R HN 0.634 nan 8.270 nan 0.000 0.451 114 N N 0.847 119.279 118.700 -0.446 0.000 2.149 114 N HA -0.214 4.528 4.740 0.003 0.000 0.188 114 N C 1.309 176.655 175.510 -0.273 0.000 1.019 114 N CA 1.844 54.515 53.050 -0.632 0.000 0.857 114 N CB -0.148 37.939 38.487 -0.667 0.000 0.997 114 N HN 0.612 nan 8.380 nan 0.000 0.426 115 E N 0.270 120.353 120.200 -0.196 0.000 2.250 115 E HA -0.035 4.317 4.350 0.003 0.000 0.192 115 E C 1.588 178.124 176.600 -0.107 0.000 0.986 115 E CA 0.296 56.624 56.400 -0.120 0.000 0.849 115 E CB -0.235 29.393 29.700 -0.120 0.000 0.797 115 E HN 0.314 nan 8.360 nan 0.000 0.482 116 Q N 1.263 120.984 119.800 -0.131 0.000 2.020 116 Q HA -0.149 4.193 4.340 0.003 0.000 0.202 116 Q C 2.692 178.662 176.000 -0.049 0.000 0.982 116 Q CA 2.426 58.166 55.803 -0.104 0.000 0.838 116 Q CB -0.311 28.359 28.738 -0.113 0.000 0.899 116 Q HN 0.403 nan 8.270 nan 0.000 0.423 117 V N -1.554 118.345 119.914 -0.025 0.000 2.324 117 V HA -0.222 3.900 4.120 0.003 0.000 0.250 117 V C 2.177 178.315 176.094 0.073 0.000 1.060 117 V CA 1.975 64.298 62.300 0.037 0.000 1.042 117 V CB -1.233 30.643 31.823 0.089 0.000 0.650 117 V HN 0.184 nan 8.190 nan 0.000 0.450 118 V N 0.430 120.392 119.914 0.080 0.000 2.427 118 V HA -0.190 3.932 4.120 0.003 0.000 0.248 118 V C 2.693 178.783 176.094 -0.006 0.000 1.051 118 V CA 2.425 64.797 62.300 0.121 0.000 1.048 118 V CB -1.724 30.175 31.823 0.126 0.000 0.666 118 V HN 0.606 nan 8.190 nan 0.000 0.456 119 T N 0.246 114.777 114.554 -0.039 0.000 2.643 119 T HA -0.193 4.158 4.350 0.003 0.000 0.264 119 T C 1.713 176.375 174.700 -0.063 0.000 1.045 119 T CA 1.924 63.979 62.100 -0.075 0.000 1.155 119 T CB -0.468 68.361 68.868 -0.065 0.000 0.863 119 T HN 0.475 nan 8.240 nan 0.000 0.420 120 D N 1.031 121.413 120.400 -0.030 0.000 2.133 120 D HA -0.057 4.585 4.640 0.003 0.000 0.195 120 D C 2.100 178.402 176.300 0.003 0.000 0.997 120 D CA 0.637 54.630 54.000 -0.012 0.000 0.840 120 D CB -0.503 40.297 40.800 0.000 0.000 0.947 120 D HN 0.224 nan 8.370 nan 0.000 0.452 121 L N 0.452 121.697 121.223 0.036 0.000 2.046 121 L HA -0.181 4.161 4.340 0.003 0.000 0.208 121 L C 2.257 179.149 176.870 0.038 0.000 1.077 121 L CA 1.362 56.258 54.840 0.094 0.000 0.747 121 L CB -0.091 42.103 42.059 0.225 0.000 0.896 121 L HN 0.020 nan 8.230 nan 0.000 0.432 122 K N -0.337 119.983 120.400 -0.133 0.000 2.057 122 K HA -0.169 4.153 4.320 0.003 0.000 0.207 122 K C 2.057 178.580 176.600 -0.129 0.000 1.049 122 K CA 1.061 57.173 56.287 -0.291 0.000 0.931 122 K CB -0.088 32.108 32.500 -0.508 0.000 0.714 122 K HN 0.289 nan 8.250 nan 0.000 0.440 123 L N 0.639 121.811 121.223 -0.086 0.000 2.046 123 L HA -0.210 4.132 4.340 0.003 0.000 0.208 123 L C 2.399 179.257 176.870 -0.020 0.000 1.077 123 L CA 0.597 55.408 54.840 -0.048 0.000 0.747 123 L CB -0.359 41.679 42.059 -0.035 0.000 0.896 123 L HN 0.192 nan 8.230 nan 0.000 0.432 124 L N -0.571 120.650 121.223 -0.003 0.000 2.056 124 L HA -0.184 4.158 4.340 0.003 0.000 0.207 124 L C 2.223 179.109 176.870 0.026 0.000 1.078 124 L CA 1.688 56.538 54.840 0.017 0.000 0.749 124 L CB -0.360 41.718 42.059 0.030 0.000 0.901 124 L HN 0.054 nan 8.230 nan 0.000 0.433 125 L N -0.113 121.131 121.223 0.035 0.000 2.093 125 L HA -0.165 4.177 4.340 0.003 0.000 0.208 125 L C 2.532 179.419 176.870 0.029 0.000 1.085 125 L CA 1.686 56.557 54.840 0.052 0.000 0.755 125 L CB -1.092 41.028 42.059 0.101 0.000 0.904 125 L HN 0.368 nan 8.230 nan 0.000 0.435 126 K N -1.044 119.358 120.400 0.002 0.000 2.113 126 K HA -0.225 4.097 4.320 0.003 0.000 0.208 126 K C 2.380 178.982 176.600 0.004 0.000 1.047 126 K CA 1.812 58.096 56.287 -0.005 0.000 0.928 126 K CB -0.130 32.356 32.500 -0.024 0.000 0.716 126 K HN 0.266 nan 8.250 nan 0.000 0.446 127 S N -0.350 115.354 115.700 0.007 0.000 2.377 127 S HA -0.046 4.426 4.470 0.003 0.000 0.223 127 S C 1.868 176.479 174.600 0.019 0.000 1.030 127 S CA 1.383 59.589 58.200 0.010 0.000 0.970 127 S CB -0.159 63.047 63.200 0.010 0.000 0.830 127 S HN 0.428 nan 8.310 nan 0.000 0.473 128 S N 1.698 117.415 115.700 0.028 0.000 2.368 128 S HA 0.040 4.512 4.470 0.003 0.000 0.225 128 S C 1.749 176.374 174.600 0.042 0.000 1.030 128 S CA 1.359 59.582 58.200 0.039 0.000 0.999 128 S CB -0.470 62.757 63.200 0.045 0.000 0.844 128 S HN 0.532 nan 8.310 nan 0.000 0.459 129 I N 1.286 121.878 120.570 0.036 0.000 2.264 129 I HA -0.197 3.975 4.170 0.003 0.000 0.248 129 I C 2.696 178.828 176.117 0.024 0.000 1.111 129 I CA 1.124 62.444 61.300 0.035 0.000 1.382 129 I CB -0.466 37.553 38.000 0.031 0.000 1.060 129 I HN 0.322 nan 8.210 nan 0.000 0.418 130 S N 0.594 116.302 115.700 0.014 0.000 2.356 130 S HA -0.142 4.330 4.470 0.003 0.000 0.223 130 S C 2.085 176.677 174.600 -0.013 0.000 1.032 130 S CA 1.533 59.732 58.200 -0.002 0.000 1.005 130 S CB -0.243 62.953 63.200 -0.006 0.000 0.867 130 S HN 0.240 nan 8.310 nan 0.000 0.449 131 V N 1.946 121.863 119.914 0.004 0.000 2.343 131 V HA -0.136 3.986 4.120 0.003 0.000 0.247 131 V C 2.318 178.444 176.094 0.053 0.000 1.051 131 V CA 1.933 64.235 62.300 0.003 0.000 1.036 131 V CB -0.665 31.199 31.823 0.069 0.000 0.654 131 V HN 0.501 nan 8.190 nan 0.000 0.451 132 I N 0.022 120.648 120.570 0.093 0.000 2.163 132 I HA -0.275 3.897 4.170 0.003 0.000 0.243 132 I C 2.777 178.941 176.117 0.079 0.000 1.085 132 I CA 1.912 63.284 61.300 0.120 0.000 1.347 132 I CB -0.492 37.555 38.000 0.078 0.000 1.044 132 I HN 0.341 nan 8.210 nan 0.000 0.408 133 S N 0.106 115.826 115.700 0.032 0.000 2.365 133 S HA -0.248 4.224 4.470 0.003 0.000 0.225 133 S C 2.094 176.686 174.600 -0.014 0.000 1.039 133 S CA 2.462 60.670 58.200 0.012 0.000 1.033 133 S CB -0.429 62.772 63.200 0.001 0.000 0.887 133 S HN 0.448 nan 8.310 nan 0.000 0.447 134 T N 1.492 116.003 114.554 -0.071 0.000 2.665 134 T HA -0.133 4.219 4.350 0.003 0.000 0.268 134 T C 1.651 176.265 174.700 -0.143 0.000 1.035 134 T CA 1.706 63.718 62.100 -0.146 0.000 1.151 134 T CB -0.641 68.070 68.868 -0.263 0.000 0.862 134 T HN 0.544 nan 8.240 nan 0.000 0.438 135 H N 0.418 119.492 119.070 0.008 0.000 2.423 135 H HA 0.120 4.678 4.556 0.003 0.000 0.297 135 H C 2.374 177.704 175.328 0.003 0.000 1.075 135 H CA 0.645 56.697 56.048 0.007 0.000 1.342 135 H CB -0.499 29.269 29.762 0.009 0.000 1.395 135 H HN 0.256 nan 8.280 nan 0.000 0.530 136 L N 0.475 121.762 121.223 0.107 0.000 1.994 136 L HA -0.166 4.176 4.340 0.003 0.000 0.208 136 L C 2.350 179.240 176.870 0.034 0.000 1.071 136 L CA 0.964 55.841 54.840 0.062 0.000 0.745 136 L CB -0.320 41.767 42.059 0.047 0.000 0.892 136 L HN 0.199 nan 8.230 nan 0.000 0.431 137 L N -0.687 120.547 121.223 0.018 0.000 2.079 137 L HA -0.279 4.063 4.340 0.003 0.000 0.210 137 L C 2.662 179.535 176.870 0.005 0.000 1.081 137 L CA 1.301 56.143 54.840 0.004 0.000 0.752 137 L CB -0.523 41.531 42.059 -0.007 0.000 0.896 137 L HN 0.416 nan 8.230 nan 0.000 0.433 138 Q N -0.253 119.557 119.800 0.015 0.000 2.084 138 Q HA -0.227 4.115 4.340 0.003 0.000 0.202 138 Q C 2.389 178.400 176.000 0.018 0.000 0.978 138 Q CA 1.316 57.132 55.803 0.022 0.000 0.844 138 Q CB -0.154 28.614 28.738 0.049 0.000 0.898 138 Q HN 0.521 nan 8.270 nan 0.000 0.426 139 L N 0.575 121.811 121.223 0.021 0.000 2.046 139 L HA -0.195 4.146 4.340 0.003 0.000 0.208 139 L C 2.170 179.029 176.870 -0.019 0.000 1.077 139 L CA 1.133 55.972 54.840 -0.002 0.000 0.747 139 L CB -0.122 41.937 42.059 -0.001 0.000 0.896 139 L HN 0.292 nan 8.230 nan 0.000 0.432 140 I N -0.281 120.281 120.570 -0.014 0.000 2.252 140 I HA -0.333 3.838 4.170 0.003 0.000 0.245 140 I C 2.574 178.675 176.117 -0.025 0.000 1.102 140 I CA 1.256 62.541 61.300 -0.025 0.000 1.385 140 I CB -0.346 37.642 38.000 -0.019 0.000 1.064 140 I HN 0.257 nan 8.210 nan 0.000 0.414 141 K N 0.758 121.149 120.400 -0.014 0.000 2.097 141 K HA -0.164 4.158 4.320 0.003 0.000 0.206 141 K C 2.041 178.635 176.600 -0.011 0.000 1.049 141 K CA 1.813 58.094 56.287 -0.011 0.000 0.933 141 K CB -0.038 32.460 32.500 -0.004 0.000 0.717 141 K HN 0.217 nan 8.250 nan 0.000 0.442 142 T N 1.611 116.160 114.554 -0.010 0.000 2.788 142 T HA -0.108 4.244 4.350 0.003 0.000 0.268 142 T C 1.758 176.447 174.700 -0.019 0.000 1.044 142 T CA 1.226 63.322 62.100 -0.007 0.000 1.139 142 T CB -0.076 68.787 68.868 -0.008 0.000 0.867 142 T HN 0.147 nan 8.240 nan 0.000 0.454 143 L N 1.229 122.427 121.223 -0.042 0.000 2.044 143 L HA -0.066 4.276 4.340 0.003 0.000 0.205 143 L C 2.841 179.671 176.870 -0.067 0.000 1.075 143 L CA 0.935 55.732 54.840 -0.072 0.000 0.747 143 L CB -0.762 41.235 42.059 -0.102 0.000 0.903 143 L HN 0.229 nan 8.230 nan 0.000 0.435 144 V N -3.096 116.786 119.914 -0.052 0.000 2.343 144 V HA -0.191 3.931 4.120 0.003 0.000 0.247 144 V C 2.303 178.383 176.094 -0.023 0.000 1.051 144 V CA 1.506 63.780 62.300 -0.043 0.000 1.036 144 V CB -0.638 31.165 31.823 -0.034 0.000 0.654 144 V HN 0.361 nan 8.190 nan 0.000 0.451 145 E N 0.798 120.991 120.200 -0.010 0.000 2.106 145 E HA -0.161 4.191 4.350 0.003 0.000 0.192 145 E C 2.328 178.940 176.600 0.020 0.000 0.984 145 E CA 1.691 58.094 56.400 0.006 0.000 0.806 145 E CB -0.368 29.338 29.700 0.011 0.000 0.750 145 E HN 0.748 nan 8.360 nan 0.000 0.458 146 R N 0.607 121.120 120.500 0.022 0.000 2.115 146 R HA 0.000 4.342 4.340 0.003 0.000 0.226 146 R C 2.091 178.428 176.300 0.061 0.000 1.100 146 R CA 1.157 57.292 56.100 0.059 0.000 0.980 146 R CB -0.079 30.266 30.300 0.075 0.000 0.875 146 R HN 0.111 nan 8.270 nan 0.000 0.445 147 A N 0.587 123.405 122.820 -0.004 0.000 1.898 147 A HA -0.014 4.308 4.320 0.003 0.000 0.216 147 A C 2.330 179.927 177.584 0.022 0.000 1.181 147 A CA 1.401 53.421 52.037 -0.028 0.000 0.620 147 A CB -0.737 18.214 19.000 -0.082 0.000 0.819 147 A HN 0.494 nan 8.150 nan 0.000 0.442 148 A N -0.170 122.661 122.820 0.019 0.000 1.930 148 A HA -0.030 4.292 4.320 0.003 0.000 0.217 148 A C 2.083 179.694 177.584 0.045 0.000 1.175 148 A CA 1.449 53.502 52.037 0.027 0.000 0.627 148 A CB -0.528 18.482 19.000 0.017 0.000 0.815 148 A HN 0.497 nan 8.150 nan 0.000 0.443 149 I N -0.592 120.012 120.570 0.058 0.000 2.286 149 I HA -0.156 4.016 4.170 0.003 0.000 0.245 149 I C 1.311 177.482 176.117 0.091 0.000 1.104 149 I CA 1.127 62.467 61.300 0.067 0.000 1.397 149 I CB -0.198 37.844 38.000 0.071 0.000 1.072 149 I HN 0.357 nan 8.210 nan 0.000 0.417 150 E N 0.740 121.023 120.200 0.137 0.000 2.423 150 E HA 0.115 4.467 4.350 0.003 0.000 0.198 150 E C 1.567 178.281 176.600 0.191 0.000 1.038 150 E CA -0.138 56.376 56.400 0.190 0.000 1.011 150 E CB 0.317 30.223 29.700 0.343 0.000 1.118 150 E HN 0.463 nan 8.360 nan 0.000 0.451 151 I N 1.045 121.685 120.570 0.117 0.000 2.700 151 I HA -0.218 3.954 4.170 0.003 0.000 0.261 151 I C 0.756 176.925 176.117 0.087 0.000 1.219 151 I CA 1.185 62.541 61.300 0.093 0.000 1.463 151 I CB 0.307 38.342 38.000 0.058 0.000 1.092 151 I HN 0.052 nan 8.210 nan 0.000 0.452 152 D N 0.783 121.232 120.400 0.080 0.000 2.350 152 D HA 0.111 4.753 4.640 0.003 0.000 0.213 152 D C 0.708 177.041 176.300 0.054 0.000 1.031 152 D CA 0.203 54.237 54.000 0.057 0.000 0.861 152 D CB 0.312 41.135 40.800 0.038 0.000 0.926 152 D HN 0.216 nan 8.370 nan 0.000 0.520 153 I N 1.984 122.604 120.570 0.084 0.000 2.556 153 I HA 0.143 4.315 4.170 0.003 0.000 0.284 153 I C 0.709 176.863 176.117 0.063 0.000 1.114 153 I CA -0.109 61.221 61.300 0.051 0.000 1.418 153 I CB 0.337 38.371 38.000 0.057 0.000 1.394 153 I HN -0.216 nan 8.210 nan 0.000 0.552 154 I N 7.198 127.764 120.570 -0.007 0.000 2.569 154 I HA 0.538 4.710 4.170 0.003 0.000 0.296 154 I C 0.040 176.100 176.117 -0.095 0.000 1.028 154 I CA -0.622 60.670 61.300 -0.014 0.000 1.082 154 I CB 2.043 40.035 38.000 -0.014 0.000 1.264 154 I HN 0.630 nan 8.210 nan 0.000 0.429 155 M N 5.985 125.525 119.600 -0.100 0.000 2.813 155 M HA 0.671 5.153 4.480 0.003 0.000 0.270 155 M C -3.087 173.121 176.300 -0.153 0.000 1.267 155 M CA -1.803 53.360 55.300 -0.229 0.000 0.822 155 M CB 2.704 35.080 32.600 -0.374 0.000 1.671 155 M HN 0.020 nan 8.290 nan 0.000 0.468 156 P HA 0.303 nan 4.420 nan 0.000 0.280 156 P C -0.526 176.706 177.300 -0.114 0.000 1.244 156 P CA 0.154 63.153 63.100 -0.168 0.000 0.784 156 P CB 1.084 32.651 31.700 -0.223 0.000 0.913 157 G N 2.239 110.964 108.800 -0.124 0.000 2.389 157 G HA2 0.533 4.495 3.960 0.003 0.000 0.317 157 G HA3 0.533 4.495 3.960 0.003 0.000 0.317 157 G C -1.454 173.408 174.900 -0.063 0.000 1.137 157 G CA -0.302 44.816 45.100 0.029 0.000 0.870 157 G HN 0.339 nan 8.290 nan 0.000 0.496 158 Y N -0.517 119.864 120.300 0.135 0.000 2.587 158 Y HA 0.711 5.262 4.550 0.002 0.000 0.337 158 Y C 0.625 176.577 175.900 0.086 0.000 1.065 158 Y CA -0.784 57.398 58.100 0.138 0.000 1.126 158 Y CB 2.776 41.358 38.460 0.203 0.000 1.279 158 Y HN 0.674 nan 8.280 nan 0.000 0.489 159 T N -1.657 113.049 114.554 0.254 0.000 3.071 159 T HA 0.308 4.660 4.350 0.003 0.000 0.311 159 T C -0.991 173.816 174.700 0.178 0.000 1.042 159 T CA -0.815 61.345 62.100 0.100 0.000 1.028 159 T CB 0.730 69.651 68.868 0.087 0.000 1.068 159 T HN 0.890 nan 8.240 nan 0.000 0.451 160 H N 2.483 121.626 119.070 0.122 0.000 2.820 160 H HA -0.135 4.424 4.556 0.004 0.000 0.295 160 H C 0.944 176.354 175.328 0.137 0.000 1.187 160 H CA 0.740 56.849 56.048 0.102 0.000 1.144 160 H CB -1.296 28.516 29.762 0.084 0.000 1.354 160 H HN 0.884 nan 8.280 nan 0.000 0.395 161 L N -1.500 119.867 121.223 0.240 0.000 3.839 161 L HA -0.294 4.048 4.340 0.003 0.000 0.416 161 L C -0.083 177.049 176.870 0.435 0.000 1.195 161 L CA 1.264 56.256 54.840 0.253 0.000 0.946 161 L CB -0.466 41.668 42.059 0.125 0.000 1.891 161 L HN 0.363 nan 8.230 nan 0.000 0.963 162 Q N 0.179 120.272 119.800 0.489 0.000 2.356 162 Q HA 0.381 4.723 4.340 0.003 0.000 0.270 162 Q C -0.185 175.951 176.000 0.227 0.000 1.058 162 Q CA -0.683 55.338 55.803 0.363 0.000 0.802 162 Q CB 2.077 30.946 28.738 0.219 0.000 1.303 162 Q HN 0.136 nan 8.270 nan 0.000 0.444 163 K N 1.019 121.416 120.400 -0.005 0.000 2.453 163 K HA 0.145 4.467 4.320 0.003 0.000 0.280 163 K C 0.438 176.958 176.600 -0.133 0.000 1.045 163 K CA 0.311 56.406 56.287 -0.321 0.000 1.059 163 K CB 0.567 32.913 32.500 -0.258 0.000 0.901 163 K HN 0.693 nan 8.250 nan 0.000 0.475 164 A N 3.929 126.663 122.820 -0.144 0.000 1.993 164 A HA 0.218 4.539 4.320 0.003 0.000 0.202 164 A C -0.152 177.403 177.584 -0.048 0.000 1.461 164 A CA 0.485 52.496 52.037 -0.044 0.000 0.824 164 A CB 0.111 19.112 19.000 0.002 0.000 1.024 164 A HN 0.533 nan 8.150 nan 0.000 0.507 165 L N -4.500 116.677 121.223 -0.077 0.000 2.775 165 L HA 0.594 4.935 4.340 0.003 0.000 0.263 165 L C -3.270 173.558 176.870 -0.070 0.000 1.017 165 L CA -2.279 52.531 54.840 -0.050 0.000 0.891 165 L CB 0.676 42.729 42.059 -0.011 0.000 1.482 165 L HN -0.081 nan 8.230 nan 0.000 0.410 166 P HA 0.473 nan 4.420 nan 0.000 0.275 166 P C -0.911 176.368 177.300 -0.035 0.000 1.227 166 P CA 0.154 63.230 63.100 -0.040 0.000 0.781 166 P CB 1.973 33.665 31.700 -0.013 0.000 0.906 167 I N 1.307 121.861 120.570 -0.027 0.000 3.195 167 I HA 0.358 4.530 4.170 0.003 0.000 0.313 167 I C -0.293 175.844 176.117 0.034 0.000 1.237 167 I CA -1.548 59.745 61.300 -0.013 0.000 0.963 167 I CB 2.702 40.697 38.000 -0.007 0.000 1.278 167 I HN 0.180 nan 8.210 nan 0.000 0.460 168 R N 3.427 123.962 120.500 0.058 0.000 2.308 168 R HA 0.099 4.441 4.340 0.003 0.000 0.305 168 R C 0.693 177.104 176.300 0.185 0.000 1.053 168 R CA -0.350 55.814 56.100 0.106 0.000 0.957 168 R CB 0.921 31.272 30.300 0.084 0.000 1.022 168 R HN 0.750 nan 8.270 nan 0.000 0.461 169 W N 3.727 125.040 121.300 0.022 0.000 2.331 169 W HA -0.218 4.443 4.660 0.002 0.000 0.291 169 W C 0.374 176.993 176.519 0.166 0.000 1.214 169 W CA 1.504 58.896 57.345 0.078 0.000 1.228 169 W CB 0.055 29.521 29.460 0.010 0.000 1.135 169 W HN 0.475 nan 8.180 nan 0.000 0.537 170 S N 0.752 116.466 115.700 0.023 0.000 2.402 170 S HA -0.266 4.205 4.470 0.003 0.000 0.229 170 S C 1.571 176.113 174.600 -0.096 0.000 1.021 170 S CA 1.780 59.907 58.200 -0.123 0.000 0.974 170 S CB -0.397 62.801 63.200 -0.002 0.000 0.800 170 S HN 0.324 nan 8.310 nan 0.000 0.484 171 Q N 0.688 120.487 119.800 -0.003 0.000 2.119 171 Q HA -0.055 4.286 4.340 0.003 0.000 0.201 171 Q C 1.692 177.700 176.000 0.013 0.000 0.972 171 Q CA 1.346 57.151 55.803 0.003 0.000 0.847 171 Q CB -0.476 28.281 28.738 0.030 0.000 0.903 171 Q HN 0.524 nan 8.270 nan 0.000 0.433 172 F N -0.024 119.866 119.950 -0.101 0.000 2.084 172 F HA -0.114 4.414 4.527 0.002 0.000 0.296 172 F C 1.513 177.242 175.800 -0.119 0.000 1.111 172 F CA 1.397 59.356 58.000 -0.068 0.000 1.224 172 F CB -0.356 38.657 39.000 0.021 0.000 0.991 172 F HN 0.106 nan 8.300 nan 0.000 0.471 173 L N -0.146 120.824 121.223 -0.423 0.000 2.042 173 L HA -0.247 4.095 4.340 0.003 0.000 0.210 173 L C 2.503 179.196 176.870 -0.294 0.000 1.076 173 L CA 1.261 55.812 54.840 -0.481 0.000 0.749 173 L CB -0.850 40.906 42.059 -0.506 0.000 0.893 173 L HN 0.230 nan 8.230 nan 0.000 0.432 174 L N -0.453 120.638 121.223 -0.220 0.000 2.201 174 L HA -0.166 4.176 4.340 0.003 0.000 0.212 174 L C 2.874 179.637 176.870 -0.178 0.000 1.105 174 L CA 1.249 55.994 54.840 -0.158 0.000 0.775 174 L CB -0.548 41.446 42.059 -0.109 0.000 0.913 174 L HN 0.397 nan 8.230 nan 0.000 0.440 175 S N -1.230 114.331 115.700 -0.232 0.000 2.368 175 S HA -0.243 4.228 4.470 0.003 0.000 0.225 175 S C 1.788 176.165 174.600 -0.373 0.000 1.030 175 S CA 1.262 59.289 58.200 -0.289 0.000 0.999 175 S CB -0.628 62.376 63.200 -0.327 0.000 0.844 175 S HN 0.477 nan 8.310 nan 0.000 0.459 176 H N 1.983 120.837 119.070 -0.361 0.000 2.357 176 H HA 0.256 4.814 4.556 0.003 0.000 0.301 176 H C 2.591 177.763 175.328 -0.260 0.000 1.082 176 H CA 1.432 57.275 56.048 -0.343 0.000 1.342 176 H CB -0.546 28.978 29.762 -0.398 0.000 1.389 176 H HN 0.571 nan 8.280 nan 0.000 0.511 177 A N 0.341 123.096 122.820 -0.108 0.000 1.940 177 A HA -0.162 4.160 4.320 0.003 0.000 0.219 177 A C 2.523 180.046 177.584 -0.102 0.000 1.176 177 A CA 1.757 53.736 52.037 -0.096 0.000 0.631 177 A CB -0.832 18.111 19.000 -0.095 0.000 0.814 177 A HN 0.261 nan 8.150 nan 0.000 0.446 178 V N -0.424 119.413 119.914 -0.129 0.000 2.427 178 V HA -0.193 3.929 4.120 0.003 0.000 0.248 178 V C 3.011 179.022 176.094 -0.138 0.000 1.051 178 V CA 1.777 64.007 62.300 -0.118 0.000 1.048 178 V CB -1.054 30.698 31.823 -0.120 0.000 0.666 178 V HN 0.622 nan 8.190 nan 0.000 0.456 179 A N -0.178 122.505 122.820 -0.229 0.000 1.898 179 A HA -0.114 4.207 4.320 0.003 0.000 0.216 179 A C 2.154 179.619 177.584 -0.198 0.000 1.181 179 A CA 1.541 53.369 52.037 -0.348 0.000 0.620 179 A CB -0.510 18.038 19.000 -0.754 0.000 0.819 179 A HN 0.498 nan 8.150 nan 0.000 0.442 180 L N -0.474 120.673 121.223 -0.127 0.000 2.275 180 L HA -0.123 4.219 4.340 0.003 0.000 0.215 180 L C 2.492 179.367 176.870 0.008 0.000 1.119 180 L CA 1.439 56.280 54.840 0.001 0.000 0.790 180 L CB -0.629 41.426 42.059 -0.005 0.000 0.919 180 L HN 0.333 nan 8.230 nan 0.000 0.443 181 T N -1.018 113.523 114.554 -0.023 0.000 2.904 181 T HA -0.086 4.266 4.350 0.003 0.000 0.267 181 T C 2.032 176.734 174.700 0.003 0.000 1.059 181 T CA 0.822 62.914 62.100 -0.012 0.000 1.137 181 T CB -0.054 68.798 68.868 -0.028 0.000 0.879 181 T HN 0.290 nan 8.240 nan 0.000 0.467 182 R N 1.000 121.505 120.500 0.009 0.000 2.090 182 R HA -0.039 4.302 4.340 0.003 0.000 0.228 182 R C 2.011 178.344 176.300 0.054 0.000 1.110 182 R CA 1.181 57.299 56.100 0.030 0.000 0.973 182 R CB -0.180 30.144 30.300 0.040 0.000 0.869 182 R HN 0.372 nan 8.270 nan 0.000 0.440 183 D N 0.015 120.465 120.400 0.084 0.000 2.117 183 D HA -0.132 4.509 4.640 0.003 0.000 0.197 183 D C 1.811 178.138 176.300 0.045 0.000 0.987 183 D CA 1.157 55.203 54.000 0.077 0.000 0.829 183 D CB -0.240 40.626 40.800 0.109 0.000 0.961 183 D HN 0.030 nan 8.370 nan 0.000 0.460 184 S N 0.358 116.080 115.700 0.037 0.000 2.370 184 S HA -0.222 4.249 4.470 0.003 0.000 0.226 184 S C 1.856 176.468 174.600 0.020 0.000 1.033 184 S CA 1.527 59.741 58.200 0.024 0.000 1.011 184 S CB -0.075 63.134 63.200 0.015 0.000 0.852 184 S HN 0.255 nan 8.310 nan 0.000 0.457 185 E N 0.155 120.366 120.200 0.018 0.000 2.077 185 E HA -0.145 4.207 4.350 0.003 0.000 0.193 185 E C 2.411 179.021 176.600 0.017 0.000 0.989 185 E CA 0.881 57.290 56.400 0.015 0.000 0.800 185 E CB -0.059 29.649 29.700 0.012 0.000 0.746 185 E HN 0.462 nan 8.360 nan 0.000 0.452 186 R N -0.058 120.455 120.500 0.022 0.000 2.092 186 R HA -0.127 4.214 4.340 0.003 0.000 0.231 186 R C 2.467 178.781 176.300 0.022 0.000 1.119 186 R CA 0.824 56.936 56.100 0.021 0.000 0.970 186 R CB -0.268 30.044 30.300 0.021 0.000 0.864 186 R HN 0.192 nan 8.270 nan 0.000 0.440 187 L N 0.232 121.469 121.223 0.024 0.000 2.083 187 L HA -0.048 4.293 4.340 0.003 0.000 0.209 187 L C 2.127 179.011 176.870 0.023 0.000 1.083 187 L CA 1.879 56.734 54.840 0.026 0.000 0.752 187 L CB -0.800 41.275 42.059 0.027 0.000 0.899 187 L HN 0.194 nan 8.230 nan 0.000 0.433 188 G N -1.554 107.257 108.800 0.019 0.000 2.408 188 G HA2 -0.203 3.759 3.960 0.003 0.000 0.217 188 G HA3 -0.203 3.759 3.960 0.003 0.000 0.217 188 G C 1.443 176.352 174.900 0.016 0.000 1.150 188 G CA 0.622 45.731 45.100 0.015 0.000 0.776 188 G HN 0.492 nan 8.290 nan 0.000 0.542 189 E N -0.034 120.176 120.200 0.018 0.000 2.152 189 E HA -0.038 4.314 4.350 0.003 0.000 0.192 189 E C 2.647 179.262 176.600 0.025 0.000 0.983 189 E CA 0.618 57.029 56.400 0.019 0.000 0.818 189 E CB 0.004 29.715 29.700 0.018 0.000 0.758 189 E HN 0.300 nan 8.360 nan 0.000 0.467 190 V N 1.695 121.627 119.914 0.030 0.000 2.427 190 V HA -0.242 3.880 4.120 0.003 0.000 0.248 190 V C 2.325 178.445 176.094 0.043 0.000 1.051 190 V CA 1.601 63.927 62.300 0.043 0.000 1.048 190 V CB -0.398 31.454 31.823 0.048 0.000 0.666 190 V HN 0.191 nan 8.190 nan 0.000 0.456 191 K N 0.477 120.896 120.400 0.031 0.000 2.103 191 K HA -0.228 4.094 4.320 0.003 0.000 0.207 191 K C 2.168 178.775 176.600 0.012 0.000 1.048 191 K CA 1.535 57.835 56.287 0.021 0.000 0.930 191 K CB -0.093 32.416 32.500 0.014 0.000 0.716 191 K HN 0.431 nan 8.250 nan 0.000 0.444 192 K N -0.034 120.374 120.400 0.013 0.000 2.147 192 K HA -0.118 4.203 4.320 0.003 0.000 0.205 192 K C 2.140 178.744 176.600 0.006 0.000 1.049 192 K CA 1.230 57.521 56.287 0.007 0.000 0.936 192 K CB -0.013 32.492 32.500 0.009 0.000 0.722 192 K HN 0.154 nan 8.250 nan 0.000 0.446 193 R N 0.256 120.768 120.500 0.020 0.000 2.210 193 R HA 0.137 4.478 4.340 0.003 0.000 0.203 193 R C 2.098 178.402 176.300 0.007 0.000 1.010 193 R CA 0.412 56.528 56.100 0.027 0.000 1.008 193 R CB 0.071 30.405 30.300 0.057 0.000 0.923 193 R HN 0.165 nan 8.270 nan 0.000 0.469 194 I N 0.750 121.319 120.570 -0.002 0.000 2.500 194 I HA -0.152 4.020 4.170 0.003 0.000 0.252 194 I C 1.586 177.628 176.117 -0.125 0.000 1.142 194 I CA 1.177 62.432 61.300 -0.075 0.000 1.451 194 I CB -0.138 37.852 38.000 -0.017 0.000 1.093 194 I HN 0.176 nan 8.210 nan 0.000 0.430 195 T N -1.203 113.310 114.554 -0.067 0.000 3.361 195 T HA 0.137 4.489 4.350 0.003 0.000 0.251 195 T C 0.484 175.146 174.700 -0.063 0.000 1.131 195 T CA -0.050 62.012 62.100 -0.063 0.000 1.001 195 T CB -0.887 67.960 68.868 -0.035 0.000 1.003 195 T HN -0.046 nan 8.240 nan 0.000 0.558 196 V N 2.770 122.638 119.914 -0.077 0.000 2.353 196 V HA 0.339 4.461 4.120 0.003 0.000 0.264 196 V C 0.220 176.263 176.094 -0.085 0.000 1.049 196 V CA -1.151 61.112 62.300 -0.060 0.000 0.896 196 V CB 0.473 32.273 31.823 -0.040 0.000 1.025 196 V HN 0.461 nan 8.190 nan 0.000 0.475 197 L N 10.065 131.250 121.223 -0.063 0.000 2.418 197 L HA 0.365 4.707 4.340 0.003 0.000 0.274 197 L C -1.221 175.620 176.870 -0.048 0.000 1.135 197 L CA -0.640 54.162 54.840 -0.062 0.000 0.870 197 L CB 0.864 42.901 42.059 -0.038 0.000 1.154 197 L HN 0.363 nan 8.230 nan 0.000 0.462 198 P HA -0.003 nan 4.420 nan 0.000 0.252 198 P C 0.311 177.595 177.300 -0.027 0.000 1.218 198 P CA -0.241 62.838 63.100 -0.036 0.000 0.807 198 P CB 0.267 31.943 31.700 -0.039 0.000 1.072 199 L N 1.416 122.621 121.223 -0.031 0.000 2.559 199 L HA 0.295 4.637 4.340 0.003 0.000 0.282 199 L C 1.204 178.083 176.870 0.015 0.000 1.232 199 L CA 2.046 56.871 54.840 -0.024 0.000 0.885 199 L CB -0.830 41.223 42.059 -0.009 0.000 1.131 199 L HN 0.394 nan 8.230 nan 0.000 0.498 200 G N 2.333 111.146 108.800 0.021 0.000 2.131 200 G HA2 -0.223 3.739 3.960 0.003 0.000 0.201 200 G HA3 -0.223 3.739 3.960 0.003 0.000 0.201 200 G C 0.605 175.524 174.900 0.031 0.000 1.000 200 G CA 0.198 45.340 45.100 0.070 0.000 0.680 200 G HN 0.723 nan 8.290 nan 0.000 0.514 201 S N -0.212 115.487 115.700 -0.002 0.000 2.539 201 S HA 0.497 4.969 4.470 0.003 0.000 0.221 201 S C 1.850 176.439 174.600 -0.019 0.000 0.987 201 S CA 1.069 59.265 58.200 -0.006 0.000 0.929 201 S CB 0.498 63.692 63.200 -0.010 0.000 0.832 201 S HN 2.195 nan 8.310 nan 0.000 0.492 202 G N 1.672 110.454 108.800 -0.031 0.000 2.578 202 G HA2 -0.320 3.642 3.960 0.003 0.000 0.275 202 G HA3 -0.320 3.642 3.960 0.003 0.000 0.275 202 G C 0.768 175.626 174.900 -0.071 0.000 1.271 202 G CA 0.080 45.154 45.100 -0.044 0.000 0.941 202 G HN 0.289 nan 8.290 nan 0.000 0.564 203 V N -0.741 119.136 119.914 -0.062 0.000 2.358 203 V HA 0.133 4.255 4.120 0.003 0.000 0.246 203 V C 2.182 178.245 176.094 -0.053 0.000 1.047 203 V CA 2.987 65.240 62.300 -0.078 0.000 1.035 203 V CB -0.066 31.725 31.823 -0.054 0.000 0.658 203 V HN 1.085 nan 8.190 nan 0.000 0.452 204 L N -2.451 118.759 121.223 -0.022 0.000 2.459 204 L HA 0.430 4.772 4.340 0.003 0.000 0.276 204 L C 1.631 178.505 176.870 0.006 0.000 1.104 204 L CA 1.206 56.047 54.840 0.001 0.000 1.393 204 L CB -0.499 41.568 42.059 0.014 0.000 2.603 204 L HN -0.001 nan 8.230 nan 0.000 0.550 205 A N 0.227 123.049 122.820 0.003 0.000 2.218 205 A HA 0.680 5.002 4.320 0.003 0.000 0.209 205 A C 1.196 178.784 177.584 0.007 0.000 1.168 205 A CA 0.902 52.943 52.037 0.007 0.000 0.804 205 A CB -0.739 18.264 19.000 0.006 0.000 0.834 205 A HN 1.079 nan 8.150 nan 0.000 0.482 206 G N -0.597 108.205 108.800 0.004 0.000 2.434 206 G HA2 -0.093 3.869 3.960 0.003 0.000 0.671 206 G HA3 -0.093 3.869 3.960 0.003 0.000 0.671 206 G C -0.698 174.210 174.900 0.013 0.000 1.280 206 G CA -0.295 44.810 45.100 0.009 0.000 0.975 206 G HN 0.454 nan 8.290 nan 0.000 0.510 207 N N 1.300 120.015 118.700 0.026 0.000 2.458 207 N HA 0.397 5.138 4.740 0.003 0.000 0.270 207 N C -0.993 174.535 175.510 0.030 0.000 1.102 207 N CA -0.878 52.197 53.050 0.043 0.000 0.967 207 N CB 1.556 40.086 38.487 0.072 0.000 1.078 207 N HN 0.388 nan 8.380 nan 0.000 0.471 208 P HA 0.176 nan 4.420 nan 0.000 0.262 208 P C 0.263 177.573 177.300 0.016 0.000 1.304 208 P CA 0.301 63.412 63.100 0.019 0.000 0.859 208 P CB 0.378 32.088 31.700 0.016 0.000 1.310 209 L N -0.179 121.055 121.223 0.019 0.000 3.110 209 L HA 0.286 4.628 4.340 0.003 0.000 0.266 209 L C 0.099 176.965 176.870 -0.007 0.000 1.257 209 L CA -0.206 54.637 54.840 0.005 0.000 1.038 209 L CB -0.457 41.604 42.059 0.004 0.000 1.395 209 L HN -0.133 nan 8.230 nan 0.000 0.566 210 E N 0.422 120.622 120.200 -0.001 0.000 2.360 210 E HA -0.251 4.101 4.350 0.003 0.000 0.238 210 E C 0.268 176.859 176.600 -0.016 0.000 1.186 210 E CA 0.231 56.627 56.400 -0.007 0.000 0.719 210 E CB -0.990 28.704 29.700 -0.010 0.000 1.236 210 E HN 0.295 nan 8.360 nan 0.000 0.386 211 I N 1.319 121.882 120.570 -0.013 0.000 2.892 211 I HA -0.039 4.133 4.170 0.003 0.000 0.287 211 I C 0.554 176.658 176.117 -0.021 0.000 1.205 211 I CA 0.267 61.546 61.300 -0.034 0.000 1.409 211 I CB 0.620 38.612 38.000 -0.014 0.000 1.367 211 I HN 0.011 nan 8.210 nan 0.000 0.597 212 D N 6.242 126.620 120.400 -0.036 0.000 2.441 212 D HA 0.187 4.829 4.640 0.003 0.000 0.221 212 D C 0.930 177.224 176.300 -0.010 0.000 1.156 212 D CA -0.068 53.919 54.000 -0.022 0.000 0.896 212 D CB 0.412 41.194 40.800 -0.030 0.000 1.028 212 D HN 0.465 nan 8.370 nan 0.000 0.509 213 R N 2.154 122.656 120.500 0.004 0.000 2.148 213 R HA -0.116 4.226 4.340 0.003 0.000 0.227 213 R C 1.377 177.681 176.300 0.006 0.000 1.103 213 R CA 0.697 56.805 56.100 0.014 0.000 0.983 213 R CB 0.195 30.505 30.300 0.017 0.000 0.874 213 R HN 0.329 nan 8.270 nan 0.000 0.451 214 E N 1.337 121.537 120.200 -0.001 0.000 2.150 214 E HA -0.159 4.192 4.350 0.003 0.000 0.193 214 E C 1.684 178.281 176.600 -0.005 0.000 0.985 214 E CA 0.727 57.125 56.400 -0.003 0.000 0.814 214 E CB -0.095 29.602 29.700 -0.005 0.000 0.752 214 E HN 0.154 nan 8.360 nan 0.000 0.466 215 L N 0.005 121.224 121.223 -0.007 0.000 2.093 215 L HA -0.017 4.325 4.340 0.003 0.000 0.208 215 L C 1.990 178.858 176.870 -0.003 0.000 1.085 215 L CA 1.515 56.349 54.840 -0.010 0.000 0.755 215 L CB -0.464 41.583 42.059 -0.021 0.000 0.904 215 L HN 0.242 nan 8.230 nan 0.000 0.435 216 L N -0.605 120.622 121.223 0.006 0.000 2.046 216 L HA -0.195 4.147 4.340 0.003 0.000 0.208 216 L C 2.809 179.685 176.870 0.011 0.000 1.077 216 L CA 1.621 56.473 54.840 0.021 0.000 0.747 216 L CB -0.736 41.351 42.059 0.047 0.000 0.896 216 L HN 0.324 nan 8.230 nan 0.000 0.432 217 R N -0.120 120.382 120.500 0.004 0.000 2.073 217 R HA -0.194 4.148 4.340 0.003 0.000 0.234 217 R C 2.554 178.851 176.300 -0.005 0.000 1.134 217 R CA 1.925 58.022 56.100 -0.004 0.000 0.952 217 R CB -0.276 30.020 30.300 -0.006 0.000 0.850 217 R HN 0.228 nan 8.270 nan 0.000 0.433 218 S N 0.274 115.971 115.700 -0.004 0.000 2.356 218 S HA -0.122 4.350 4.470 0.003 0.000 0.223 218 S C 1.707 176.304 174.600 -0.004 0.000 1.032 218 S CA 1.216 59.413 58.200 -0.005 0.000 1.005 218 S CB -0.149 63.048 63.200 -0.006 0.000 0.867 218 S HN 0.372 nan 8.310 nan 0.000 0.449 219 E N 1.003 121.201 120.200 -0.002 0.000 2.085 219 E HA -0.079 4.273 4.350 0.003 0.000 0.194 219 E C 1.906 178.506 176.600 0.000 0.000 0.994 219 E CA 0.974 57.374 56.400 -0.000 0.000 0.801 219 E CB -0.402 29.301 29.700 0.004 0.000 0.743 219 E HN 0.546 nan 8.360 nan 0.000 0.453 220 L N 0.472 121.695 121.223 -0.001 0.000 2.591 220 L HA 0.034 4.375 4.340 0.003 0.000 0.228 220 L C 0.216 177.080 176.870 -0.010 0.000 1.133 220 L CA -0.017 54.821 54.840 -0.005 0.000 0.880 220 L CB 0.000 42.055 42.059 -0.006 0.000 1.033 220 L HN 0.003 nan 8.230 nan 0.000 0.450 221 D N 0.928 121.322 120.400 -0.009 0.000 2.716 221 D HA -0.155 4.487 4.640 0.003 0.000 0.239 221 D C -0.063 176.227 176.300 -0.016 0.000 1.125 221 D CA 0.748 54.741 54.000 -0.011 0.000 0.681 221 D CB -0.161 40.633 40.800 -0.010 0.000 1.070 221 D HN 0.104 nan 8.370 nan 0.000 0.432 222 M N -0.515 119.075 119.600 -0.018 0.000 2.478 222 M HA 0.177 4.659 4.480 0.003 0.000 0.327 222 M C 2.152 178.440 176.300 -0.019 0.000 1.187 222 M CA -0.260 55.025 55.300 -0.024 0.000 1.022 222 M CB 1.198 33.779 32.600 -0.031 0.000 1.629 222 M HN 0.016 nan 8.290 nan 0.000 0.461 223 T N -2.144 112.398 114.554 -0.020 0.000 2.985 223 T HA 0.068 4.419 4.350 0.003 0.000 0.266 223 T C 0.721 175.413 174.700 -0.012 0.000 1.076 223 T CA 0.876 62.968 62.100 -0.014 0.000 1.135 223 T CB -0.068 68.793 68.868 -0.012 0.000 0.890 223 T HN 0.748 nan 8.240 nan 0.000 0.480 224 S N 0.612 116.303 115.700 -0.016 0.000 2.703 224 S HA 0.654 5.126 4.470 0.003 0.000 0.273 224 S C -1.233 173.357 174.600 -0.015 0.000 1.178 224 S CA -1.189 57.004 58.200 -0.012 0.000 0.838 224 S CB 1.079 64.274 63.200 -0.009 0.000 1.178 224 S HN 0.739 nan 8.310 nan 0.000 0.494 225 I N -0.657 119.907 120.570 -0.010 0.000 2.646 225 I HA 0.720 4.892 4.170 0.003 0.000 0.299 225 I C 0.023 176.137 176.117 -0.006 0.000 1.036 225 I CA -0.876 60.418 61.300 -0.010 0.000 1.074 225 I CB 2.050 40.048 38.000 -0.003 0.000 1.258 225 I HN 0.818 nan 8.210 nan 0.000 0.430 226 T N 2.496 117.046 114.554 -0.006 0.000 2.934 226 T HA 0.182 4.534 4.350 0.003 0.000 0.306 226 T C 1.115 175.819 174.700 0.007 0.000 1.042 226 T CA -0.510 61.591 62.100 0.002 0.000 1.145 226 T CB 0.957 69.827 68.868 0.004 0.000 0.982 226 T HN 0.601 nan 8.240 nan 0.000 0.544 227 L N 1.285 122.514 121.223 0.010 0.000 2.179 227 L HA 0.126 4.468 4.340 0.003 0.000 0.208 227 L C 1.427 178.304 176.870 0.012 0.000 1.096 227 L CA 1.014 55.860 54.840 0.010 0.000 0.779 227 L CB -0.448 41.617 42.059 0.011 0.000 0.922 227 L HN 0.800 nan 8.230 nan 0.000 0.443 228 N N -0.647 118.062 118.700 0.016 0.000 2.352 228 N HA 0.029 4.771 4.740 0.003 0.000 0.291 228 N C 0.806 176.328 175.510 0.020 0.000 1.040 228 N CA 0.363 53.423 53.050 0.017 0.000 0.864 228 N CB 2.011 40.509 38.487 0.019 0.000 1.440 228 N HN -0.071 nan 8.380 nan 0.000 0.483 229 S N 3.875 119.585 115.700 0.017 0.000 2.382 229 S HA -0.095 4.376 4.470 0.003 0.000 0.228 229 S C 1.936 176.551 174.600 0.024 0.000 1.027 229 S CA 0.665 58.875 58.200 0.017 0.000 0.991 229 S CB -0.359 62.848 63.200 0.012 0.000 0.823 229 S HN 0.647 nan 8.310 nan 0.000 0.469 230 I N 2.303 122.889 120.570 0.027 0.000 2.252 230 I HA -0.157 4.015 4.170 0.003 0.000 0.245 230 I C 2.651 178.795 176.117 0.046 0.000 1.102 230 I CA 1.929 63.250 61.300 0.036 0.000 1.385 230 I CB -0.604 37.414 38.000 0.031 0.000 1.064 230 I HN 0.372 nan 8.210 nan 0.000 0.414 231 D N 1.155 121.579 120.400 0.041 0.000 2.117 231 D HA -0.171 4.470 4.640 0.003 0.000 0.197 231 D C 2.186 178.525 176.300 0.065 0.000 0.987 231 D CA 1.479 55.508 54.000 0.049 0.000 0.829 231 D CB 0.065 40.889 40.800 0.041 0.000 0.961 231 D HN 0.269 nan 8.370 nan 0.000 0.460 232 A N 0.208 123.060 122.820 0.055 0.000 1.978 232 A HA -0.130 4.192 4.320 0.003 0.000 0.220 232 A C 2.200 179.831 177.584 0.079 0.000 1.170 232 A CA 1.053 53.124 52.037 0.058 0.000 0.636 232 A CB -0.562 18.455 19.000 0.029 0.000 0.810 232 A HN 0.374 nan 8.150 nan 0.000 0.448 233 I N 0.056 120.672 120.570 0.076 0.000 2.480 233 I HA -0.082 4.090 4.170 0.003 0.000 0.251 233 I C 2.390 178.611 176.117 0.173 0.000 1.124 233 I CA 1.912 63.272 61.300 0.100 0.000 1.444 233 I CB -0.768 37.272 38.000 0.066 0.000 1.098 233 I HN 0.503 nan 8.210 nan 0.000 0.428 234 S N 0.044 115.826 115.700 0.136 0.000 2.524 234 S HA 0.061 4.533 4.470 0.003 0.000 0.215 234 S C 0.550 175.198 174.600 0.080 0.000 0.986 234 S CA -0.490 57.782 58.200 0.120 0.000 0.911 234 S CB -0.204 63.048 63.200 0.086 0.000 0.805 234 S HN 0.455 nan 8.310 nan 0.000 0.501 235 E N 1.302 121.560 120.200 0.096 0.000 2.313 235 E HA 0.493 4.844 4.350 0.003 0.000 0.272 235 E C 0.104 176.744 176.600 0.066 0.000 1.038 235 E CA -0.790 55.653 56.400 0.073 0.000 0.863 235 E CB 0.588 30.342 29.700 0.090 0.000 1.060 235 E HN -0.056 nan 8.360 nan 0.000 0.402 236 R N 2.534 122.993 120.500 -0.069 0.000 2.668 236 R HA 0.144 4.486 4.340 0.003 0.000 0.435 236 R C -0.512 175.562 176.300 -0.376 0.000 1.059 236 R CA -0.227 55.674 56.100 -0.331 0.000 1.073 236 R CB 0.045 30.171 30.300 -0.291 0.000 1.401 236 R HN 0.633 nan 8.270 nan 0.000 0.590 237 D N 0.766 121.080 120.400 -0.143 0.000 2.104 237 D HA -0.188 4.454 4.640 0.003 0.000 0.194 237 D C 1.653 177.906 176.300 -0.077 0.000 0.994 237 D CA 1.483 55.445 54.000 -0.063 0.000 0.830 237 D CB -0.215 40.614 40.800 0.048 0.000 0.959 237 D HN 0.334 nan 8.370 nan 0.000 0.452 238 F N -0.027 119.926 119.950 0.005 0.000 2.202 238 F HA -0.155 4.374 4.527 0.003 0.000 0.301 238 F C 2.027 177.829 175.800 0.004 0.000 1.082 238 F CA 0.622 58.625 58.000 0.005 0.000 1.313 238 F CB -1.072 37.932 39.000 0.007 0.000 1.024 238 F HN -0.145 nan 8.300 nan 0.000 0.495 239 V N 0.696 120.172 119.914 -0.729 0.000 2.323 239 V HA -0.221 3.901 4.120 0.003 0.000 0.244 239 V C 2.574 178.549 176.094 -0.198 0.000 1.041 239 V CA 1.599 63.640 62.300 -0.432 0.000 1.025 239 V CB -0.598 30.896 31.823 -0.549 0.000 0.656 239 V HN 0.371 nan 8.190 nan 0.000 0.451 240 V N -0.052 119.744 119.914 -0.195 0.000 2.295 240 V HA -0.272 3.849 4.120 0.003 0.000 0.246 240 V C 2.431 178.494 176.094 -0.051 0.000 1.049 240 V CA 2.097 64.334 62.300 -0.106 0.000 1.024 240 V CB -0.705 31.062 31.823 -0.093 0.000 0.648 240 V HN 0.606 nan 8.190 nan 0.000 0.447 241 E N -0.187 119.996 120.200 -0.029 0.000 2.023 241 E HA -0.271 4.081 4.350 0.003 0.000 0.196 241 E C 2.197 178.804 176.600 0.012 0.000 1.003 241 E CA 1.596 57.999 56.400 0.005 0.000 0.809 241 E CB -0.351 29.369 29.700 0.033 0.000 0.755 241 E HN 0.384 nan 8.360 nan 0.000 0.449 242 L N 1.519 122.756 121.223 0.024 0.000 1.997 242 L HA -0.231 4.110 4.340 0.003 0.000 0.216 242 L C 2.195 179.073 176.870 0.013 0.000 1.074 242 L CA 1.709 56.568 54.840 0.032 0.000 0.763 242 L CB -0.455 41.638 42.059 0.056 0.000 0.890 242 L HN 0.155 nan 8.230 nan 0.000 0.434 243 I N -1.604 118.963 120.570 -0.004 0.000 2.286 243 I HA -0.291 3.880 4.170 0.003 0.000 0.248 243 I C 2.646 178.765 176.117 0.003 0.000 1.115 243 I CA 1.427 62.723 61.300 -0.007 0.000 1.392 243 I CB -0.570 37.413 38.000 -0.029 0.000 1.065 243 I HN 0.351 nan 8.210 nan 0.000 0.418 244 S N 0.682 116.382 115.700 0.001 0.000 2.356 244 S HA -0.138 4.334 4.470 0.003 0.000 0.223 244 S C 2.118 176.718 174.600 -0.000 0.000 1.032 244 S CA 1.413 59.618 58.200 0.008 0.000 1.005 244 S CB -0.235 62.968 63.200 0.004 0.000 0.867 244 S HN 0.225 nan 8.310 nan 0.000 0.449 245 V N 2.099 122.013 119.914 0.000 0.000 2.392 245 V HA -0.150 3.972 4.120 0.003 0.000 0.249 245 V C 2.767 178.853 176.094 -0.013 0.000 1.059 245 V CA 1.798 64.095 62.300 -0.005 0.000 1.051 245 V CB -1.257 30.572 31.823 0.010 0.000 0.658 245 V HN 0.611 nan 8.190 nan 0.000 0.455 246 A N -0.686 122.133 122.820 -0.001 0.000 2.014 246 A HA -0.156 4.166 4.320 0.003 0.000 0.218 246 A C 2.365 179.942 177.584 -0.010 0.000 1.163 246 A CA 2.093 54.130 52.037 -0.000 0.000 0.652 246 A CB -0.667 18.340 19.000 0.011 0.000 0.808 246 A HN 0.501 nan 8.150 nan 0.000 0.449 247 T N -0.019 114.533 114.554 -0.005 0.000 2.770 247 T HA -0.083 4.269 4.350 0.003 0.000 0.263 247 T C 1.813 176.471 174.700 -0.071 0.000 1.039 247 T CA 1.407 63.509 62.100 0.003 0.000 1.142 247 T CB -0.297 68.611 68.868 0.066 0.000 0.868 247 T HN 0.302 nan 8.240 nan 0.000 0.435 248 L N 1.476 122.631 121.223 -0.114 0.000 2.083 248 L HA 0.061 4.402 4.340 0.003 0.000 0.209 248 L C 2.092 178.714 176.870 -0.413 0.000 1.083 248 L CA 1.347 56.036 54.840 -0.252 0.000 0.752 248 L CB -0.839 41.089 42.059 -0.219 0.000 0.899 248 L HN 0.182 nan 8.230 nan 0.000 0.433 249 L N -1.041 120.050 121.223 -0.220 0.000 2.017 249 L HA -0.174 4.168 4.340 0.003 0.000 0.208 249 L C 2.254 179.081 176.870 -0.072 0.000 1.073 249 L CA 1.904 56.672 54.840 -0.120 0.000 0.745 249 L CB -0.701 41.350 42.059 -0.014 0.000 0.894 249 L HN 0.237 nan 8.230 nan 0.000 0.432 250 M N -0.646 118.917 119.600 -0.061 0.000 2.213 250 M HA -0.156 4.326 4.480 0.003 0.000 0.263 250 M C 2.266 178.542 176.300 -0.039 0.000 1.062 250 M CA 1.218 56.501 55.300 -0.028 0.000 1.105 250 M CB -1.000 31.593 32.600 -0.012 0.000 1.385 250 M HN 0.269 nan 8.290 nan 0.000 0.417 251 I N -0.640 119.870 120.570 -0.101 0.000 2.179 251 I HA -0.296 3.876 4.170 0.003 0.000 0.242 251 I C 2.281 178.400 176.117 0.005 0.000 1.088 251 I CA 1.620 62.866 61.300 -0.091 0.000 1.357 251 I CB -1.466 36.438 38.000 -0.160 0.000 1.051 251 I HN 0.418 nan 8.210 nan 0.000 0.409 252 H N 0.380 119.440 119.070 -0.017 0.000 2.319 252 H HA -0.134 4.423 4.556 0.002 0.000 0.299 252 H C 2.375 177.712 175.328 0.016 0.000 1.092 252 H CA 0.970 57.018 56.048 0.000 0.000 1.302 252 H CB 0.002 29.764 29.762 0.000 0.000 1.373 252 H HN 0.223 nan 8.280 nan 0.000 0.497 253 L N 0.556 121.853 121.223 0.124 0.000 2.201 253 L HA -0.150 4.192 4.340 0.003 0.000 0.212 253 L C 2.705 179.582 176.870 0.013 0.000 1.105 253 L CA 1.105 55.970 54.840 0.041 0.000 0.775 253 L CB -0.408 41.660 42.059 0.014 0.000 0.913 253 L HN 0.384 nan 8.230 nan 0.000 0.440 254 S N -0.291 115.419 115.700 0.016 0.000 2.406 254 S HA -0.146 4.326 4.470 0.003 0.000 0.228 254 S C 1.876 176.475 174.600 -0.002 0.000 1.020 254 S CA 0.632 58.830 58.200 -0.004 0.000 0.965 254 S CB -0.117 63.074 63.200 -0.016 0.000 0.798 254 S HN 0.407 nan 8.310 nan 0.000 0.488 255 K N 0.514 120.933 120.400 0.031 0.000 2.116 255 K HA 0.159 4.481 4.320 0.003 0.000 0.203 255 K C 2.090 178.728 176.600 0.064 0.000 1.052 255 K CA 0.965 57.278 56.287 0.044 0.000 0.952 255 K CB -0.400 32.144 32.500 0.073 0.000 0.729 255 K HN 0.304 nan 8.250 nan 0.000 0.446 256 L N 1.412 122.670 121.223 0.059 0.000 2.056 256 L HA -0.073 4.268 4.340 0.003 0.000 0.207 256 L C 2.223 179.032 176.870 -0.101 0.000 1.078 256 L CA 1.690 56.461 54.840 -0.115 0.000 0.749 256 L CB -0.675 41.166 42.059 -0.364 0.000 0.901 256 L HN 0.112 nan 8.230 nan 0.000 0.433 257 A N -0.504 122.274 122.820 -0.071 0.000 1.908 257 A HA -0.283 4.038 4.320 0.003 0.000 0.218 257 A C 2.263 179.801 177.584 -0.078 0.000 1.181 257 A CA 1.866 53.865 52.037 -0.063 0.000 0.627 257 A CB -0.814 18.160 19.000 -0.043 0.000 0.818 257 A HN 0.595 nan 8.150 nan 0.000 0.445 258 E N 0.482 120.634 120.200 -0.080 0.000 2.077 258 E HA -0.202 4.150 4.350 0.003 0.000 0.193 258 E C 1.462 177.937 176.600 -0.208 0.000 0.989 258 E CA 1.755 58.084 56.400 -0.118 0.000 0.800 258 E CB -0.272 29.372 29.700 -0.094 0.000 0.746 258 E HN 0.554 nan 8.360 nan 0.000 0.452 259 D N 0.117 120.397 120.400 -0.200 0.000 2.104 259 D HA -0.164 4.478 4.640 0.003 0.000 0.194 259 D C 2.043 178.025 176.300 -0.529 0.000 0.994 259 D CA 1.224 54.976 54.000 -0.413 0.000 0.830 259 D CB -0.229 40.550 40.800 -0.035 0.000 0.959 259 D HN 0.288 nan 8.370 nan 0.000 0.452 260 L N 0.464 121.582 121.223 -0.176 0.000 2.217 260 L HA -0.044 4.297 4.340 0.003 0.000 0.211 260 L C 2.505 179.346 176.870 -0.050 0.000 1.107 260 L CA 0.340 55.170 54.840 -0.016 0.000 0.783 260 L CB -0.168 41.925 42.059 0.057 0.000 0.919 260 L HN 0.016 nan 8.230 nan 0.000 0.442 261 I N -0.130 120.369 120.570 -0.119 0.000 2.315 261 I HA -0.281 3.891 4.170 0.003 0.000 0.248 261 I C 2.362 178.377 176.117 -0.171 0.000 1.117 261 I CA 1.378 62.614 61.300 -0.106 0.000 1.404 261 I CB -0.024 37.915 38.000 -0.102 0.000 1.071 261 I HN 0.181 nan 8.210 nan 0.000 0.419 262 I N 0.011 120.390 120.570 -0.319 0.000 2.233 262 I HA -0.267 3.905 4.170 0.003 0.000 0.243 262 I C 2.278 178.087 176.117 -0.513 0.000 1.093 262 I CA 1.527 62.507 61.300 -0.533 0.000 1.380 262 I CB -0.358 37.179 38.000 -0.770 0.000 1.067 262 I HN 0.112 nan 8.210 nan 0.000 0.413 263 F N 0.829 120.506 119.950 -0.454 0.000 2.333 263 F HA -0.169 4.360 4.527 0.003 0.000 0.300 263 F C 2.564 178.303 175.800 -0.102 0.000 1.083 263 F CA 0.724 58.568 58.000 -0.260 0.000 1.395 263 F CB -0.161 38.843 39.000 0.007 0.000 1.056 263 F HN 0.217 nan 8.300 nan 0.000 0.529 264 S N -0.885 114.871 115.700 0.093 0.000 2.575 264 S HA -0.003 4.469 4.470 0.003 0.000 0.215 264 S C 0.747 175.369 174.600 0.038 0.000 0.966 264 S CA -0.123 58.122 58.200 0.074 0.000 0.911 264 S CB -1.055 62.184 63.200 0.064 0.000 0.780 264 S HN 0.210 nan 8.310 nan 0.000 0.514 265 T N 0.246 114.808 114.554 0.013 0.000 2.860 265 T HA 0.272 4.623 4.350 0.003 0.000 0.299 265 T C 1.560 176.298 174.700 0.062 0.000 1.045 265 T CA 0.208 62.329 62.100 0.034 0.000 1.071 265 T CB 0.965 69.862 68.868 0.048 0.000 0.985 265 T HN 0.355 nan 8.240 nan 0.000 0.537 266 T N -0.697 113.886 114.554 0.048 0.000 2.867 266 T HA -0.103 4.249 4.350 0.003 0.000 0.268 266 T C 1.493 176.213 174.700 0.033 0.000 1.057 266 T CA 1.095 63.217 62.100 0.037 0.000 1.136 266 T CB -0.533 68.349 68.868 0.025 0.000 0.874 266 T HN 0.680 nan 8.240 nan 0.000 0.466 267 E N 0.644 120.878 120.200 0.058 0.000 2.153 267 E HA 0.045 4.397 4.350 0.003 0.000 0.194 267 E C 1.489 178.044 176.600 -0.074 0.000 0.988 267 E CA 1.120 57.533 56.400 0.022 0.000 0.811 267 E CB -0.403 29.346 29.700 0.081 0.000 0.746 267 E HN 0.616 nan 8.360 nan 0.000 0.466 268 F N -0.998 118.817 119.950 -0.225 0.000 2.343 268 F HA 0.259 4.786 4.527 0.001 0.000 0.286 268 F C 1.809 177.323 175.800 -0.476 0.000 1.057 268 F CA 0.860 58.549 58.000 -0.518 0.000 1.365 268 F CB -0.281 38.340 39.000 -0.632 0.000 1.114 268 F HN 0.097 nan 8.300 nan 0.000 0.545 269 G N 0.200 108.989 108.800 -0.017 0.000 2.321 269 G HA2 -0.319 3.643 3.960 0.003 0.000 0.287 269 G HA3 -0.319 3.643 3.960 0.003 0.000 0.287 269 G C 0.741 175.757 174.900 0.194 0.000 1.018 269 G CA 0.574 45.710 45.100 0.060 0.000 0.855 269 G HN 0.240 nan 8.290 nan 0.000 0.507 270 F N -0.550 119.400 119.950 -0.001 0.000 2.335 270 F HA 0.301 4.830 4.527 0.004 0.000 0.296 270 F C 1.672 177.365 175.800 -0.178 0.000 1.091 270 F CA 0.425 58.330 58.000 -0.158 0.000 1.399 270 F CB -0.305 38.491 39.000 -0.342 0.000 1.067 270 F HN 0.474 nan 8.300 nan 0.000 0.520 271 V N -3.324 116.671 119.914 0.135 0.000 3.130 271 V HA 0.810 4.932 4.120 0.003 0.000 0.310 271 V C -0.605 175.536 176.094 0.079 0.000 1.158 271 V CA -0.623 61.719 62.300 0.071 0.000 1.029 271 V CB 1.752 33.664 31.823 0.148 0.000 1.057 271 V HN -0.087 nan 8.190 nan 0.000 0.436 272 T N 3.476 118.067 114.554 0.063 0.000 2.937 272 T HA 0.665 5.017 4.350 0.003 0.000 0.297 272 T C -0.779 173.966 174.700 0.075 0.000 0.991 272 T CA -0.314 61.822 62.100 0.061 0.000 0.990 272 T CB 1.259 70.152 68.868 0.043 0.000 0.991 272 T HN 0.653 nan 8.240 nan 0.000 0.440 273 L N 2.325 123.597 121.223 0.083 0.000 2.436 273 L HA 0.494 4.836 4.340 0.003 0.000 0.265 273 L C 1.141 178.079 176.870 0.113 0.000 1.168 273 L CA 0.055 54.958 54.840 0.105 0.000 0.815 273 L CB 0.839 42.967 42.059 0.114 0.000 1.109 273 L HN 0.686 nan 8.230 nan 0.000 0.462 274 S N 0.208 116.004 115.700 0.160 0.000 2.584 274 S HA -0.000 4.471 4.470 0.003 0.000 0.270 274 S C 0.920 175.588 174.600 0.115 0.000 1.346 274 S CA -0.406 57.885 58.200 0.151 0.000 1.018 274 S CB 0.314 63.653 63.200 0.232 0.000 0.899 274 S HN 0.678 nan 8.310 nan 0.000 0.542 275 D N 2.514 122.947 120.400 0.055 0.000 2.264 275 D HA -0.037 4.605 4.640 0.003 0.000 0.208 275 D C 1.908 178.186 176.300 -0.038 0.000 0.966 275 D CA 1.263 55.272 54.000 0.015 0.000 0.864 275 D CB -0.338 40.464 40.800 0.002 0.000 0.933 275 D HN 0.637 nan 8.370 nan 0.000 0.499 276 A N -0.159 122.607 122.820 -0.090 0.000 2.014 276 A HA -0.134 4.188 4.320 0.003 0.000 0.218 276 A C 0.917 178.179 177.584 -0.537 0.000 1.163 276 A CA 0.799 52.639 52.037 -0.329 0.000 0.652 276 A CB -0.384 18.343 19.000 -0.454 0.000 0.808 276 A HN 0.250 nan 8.150 nan 0.000 0.449 277 Y N 0.215 120.523 120.300 0.013 0.000 2.734 277 Y HA 0.362 4.914 4.550 0.003 0.000 0.278 277 Y C 0.686 176.593 175.900 0.011 0.000 1.108 277 Y CA 0.123 58.230 58.100 0.012 0.000 1.211 277 Y CB 0.272 38.742 38.460 0.015 0.000 1.182 277 Y HN 0.337 nan 8.280 nan 0.000 0.547 278 S N -1.181 114.563 115.700 0.074 0.000 2.672 278 S HA 0.813 5.285 4.470 0.003 0.000 0.271 278 S C -0.543 174.069 174.600 0.020 0.000 1.171 278 S CA -0.641 57.593 58.200 0.057 0.000 0.817 278 S CB 2.274 65.513 63.200 0.065 0.000 1.150 278 S HN 0.081 nan 8.310 nan 0.000 0.478 279 T N -1.954 112.611 114.554 0.018 0.000 2.909 279 T HA 0.865 5.217 4.350 0.003 0.000 0.299 279 T C -0.004 174.702 174.700 0.010 0.000 1.073 279 T CA -0.352 61.752 62.100 0.007 0.000 0.999 279 T CB 1.253 70.123 68.868 0.004 0.000 1.098 279 T HN 1.470 nan 8.240 nan 0.000 0.477 280 G N -0.046 108.757 108.800 0.006 0.000 2.818 280 G HA2 0.645 4.607 3.960 0.003 0.000 0.286 280 G HA3 0.645 4.607 3.960 0.003 0.000 0.286 280 G C -1.268 173.635 174.900 0.004 0.000 1.364 280 G CA -0.872 44.233 45.100 0.007 0.000 0.938 280 G HN 0.910 nan 8.290 nan 0.000 0.490 281 S N -0.982 114.721 115.700 0.005 0.000 2.475 281 S HA 0.428 4.900 4.470 0.003 0.000 0.298 281 S C 1.465 176.067 174.600 0.003 0.000 1.119 281 S CA 0.203 58.405 58.200 0.003 0.000 1.085 281 S CB 1.613 64.815 63.200 0.004 0.000 1.028 281 S HN 0.737 nan 8.310 nan 0.000 0.489 282 S N 3.562 119.263 115.700 0.002 0.000 2.399 282 S HA -0.061 4.410 4.470 0.003 0.000 0.231 282 S C 1.445 176.046 174.600 0.002 0.000 1.022 282 S CA 1.263 59.464 58.200 0.002 0.000 0.983 282 S CB -0.409 62.791 63.200 0.001 0.000 0.803 282 S HN 0.694 nan 8.310 nan 0.000 0.480 283 L N 0.520 121.744 121.223 0.002 0.000 2.446 283 L HA 0.377 4.718 4.340 0.003 0.000 0.219 283 L C 0.450 177.322 176.870 0.003 0.000 1.116 283 L CA 0.869 55.711 54.840 0.002 0.000 0.844 283 L CB -0.171 41.889 42.059 0.002 0.000 0.970 283 L HN 0.261 nan 8.230 nan 0.000 0.457 284 L N 1.734 122.959 121.223 0.004 0.000 2.679 284 L HA 0.273 4.615 4.340 0.003 0.000 0.238 284 L C -1.388 175.486 176.870 0.006 0.000 1.330 284 L CA -0.844 53.999 54.840 0.005 0.000 0.935 284 L CB 0.950 43.013 42.059 0.006 0.000 1.243 284 L HN -0.061 nan 8.230 nan 0.000 0.484 285 P HA -0.166 nan 4.420 nan 0.000 0.234 285 P C 0.508 177.813 177.300 0.009 0.000 1.162 285 P CA 1.055 64.160 63.100 0.007 0.000 0.759 285 P CB 0.428 32.132 31.700 0.006 0.000 0.813 286 Q N -0.513 119.293 119.800 0.010 0.000 2.373 286 Q HA 0.109 4.451 4.340 0.003 0.000 0.210 286 Q C 1.091 177.100 176.000 0.014 0.000 0.913 286 Q CA 0.432 56.243 55.803 0.012 0.000 0.911 286 Q CB -0.201 28.543 28.738 0.011 0.000 1.040 286 Q HN 0.190 nan 8.270 nan 0.000 0.521 287 K N 2.127 122.534 120.400 0.013 0.000 2.402 287 K HA 0.079 4.401 4.320 0.003 0.000 0.285 287 K C -0.795 175.815 176.600 0.016 0.000 1.054 287 K CA 0.282 56.577 56.287 0.013 0.000 1.001 287 K CB 0.217 32.723 32.500 0.010 0.000 0.946 287 K HN -0.084 nan 8.250 nan 0.000 0.473 288 K N 4.091 124.503 120.400 0.020 0.000 2.572 288 K HA 0.223 4.545 4.320 0.003 0.000 0.244 288 K C -1.086 175.529 176.600 0.025 0.000 0.965 288 K CA -0.847 55.455 56.287 0.024 0.000 0.943 288 K CB 1.092 33.611 32.500 0.032 0.000 1.154 288 K HN 0.536 nan 8.250 nan 0.000 0.447 289 N N 4.190 122.903 118.700 0.022 0.000 2.470 289 N HA 0.068 4.810 4.740 0.003 0.000 0.268 289 N C -2.142 173.385 175.510 0.029 0.000 1.136 289 N CA -1.379 51.683 53.050 0.020 0.000 0.961 289 N CB 0.712 39.208 38.487 0.014 0.000 1.067 289 N HN 0.312 nan 8.380 nan 0.000 0.468 290 P HA 0.126 nan 4.420 nan 0.000 0.218 290 P C -0.284 177.036 177.300 0.033 0.000 1.793 290 P CA -0.216 62.905 63.100 0.035 0.000 0.941 290 P CB 0.215 31.927 31.700 0.020 0.000 1.919 291 D N 0.762 121.184 120.400 0.037 0.000 2.158 291 D HA -0.171 4.470 4.640 0.003 0.000 0.197 291 D C 2.115 178.441 176.300 0.043 0.000 0.995 291 D CA 1.930 55.949 54.000 0.032 0.000 0.846 291 D CB -0.410 40.407 40.800 0.028 0.000 0.941 291 D HN 0.329 nan 8.370 nan 0.000 0.456 292 S N -0.125 115.619 115.700 0.074 0.000 2.368 292 S HA -0.114 4.357 4.470 0.003 0.000 0.224 292 S C 1.909 176.537 174.600 0.045 0.000 1.029 292 S CA 0.535 58.791 58.200 0.094 0.000 0.988 292 S CB -0.371 62.945 63.200 0.194 0.000 0.838 292 S HN 0.067 nan 8.310 nan 0.000 0.462 293 L N 2.238 123.477 121.223 0.027 0.000 2.109 293 L HA 0.109 4.451 4.340 0.003 0.000 0.207 293 L C 2.673 179.540 176.870 -0.005 0.000 1.086 293 L CA 1.453 56.292 54.840 -0.001 0.000 0.760 293 L CB -1.378 40.675 42.059 -0.010 0.000 0.910 293 L HN 0.420 nan 8.230 nan 0.000 0.437 294 E N -0.691 119.509 120.200 0.001 0.000 2.110 294 E HA -0.246 4.106 4.350 0.003 0.000 0.193 294 E C 2.171 178.772 176.600 0.001 0.000 0.988 294 E CA 0.894 57.292 56.400 -0.003 0.000 0.804 294 E CB -0.268 29.431 29.700 -0.000 0.000 0.745 294 E HN 0.240 nan 8.360 nan 0.000 0.458 295 L N 1.245 122.473 121.223 0.010 0.000 2.017 295 L HA -0.157 4.184 4.340 0.003 0.000 0.208 295 L C 2.122 178.996 176.870 0.007 0.000 1.073 295 L CA 1.504 56.351 54.840 0.011 0.000 0.745 295 L CB -0.218 41.853 42.059 0.021 0.000 0.894 295 L HN 0.099 nan 8.230 nan 0.000 0.432 296 I N -0.754 119.819 120.570 0.004 0.000 2.163 296 I HA -0.339 3.833 4.170 0.003 0.000 0.243 296 I C 2.744 178.858 176.117 -0.005 0.000 1.085 296 I CA 1.619 62.917 61.300 -0.003 0.000 1.347 296 I CB -0.402 37.589 38.000 -0.014 0.000 1.044 296 I HN 0.320 nan 8.210 nan 0.000 0.408 297 R N 1.131 121.626 120.500 -0.010 0.000 2.083 297 R HA -0.213 4.129 4.340 0.003 0.000 0.237 297 R C 2.548 178.845 176.300 -0.005 0.000 1.137 297 R CA 2.267 58.360 56.100 -0.012 0.000 0.951 297 R CB -0.263 30.026 30.300 -0.019 0.000 0.851 297 R HN 0.475 nan 8.270 nan 0.000 0.434 298 S N 0.266 115.966 115.700 -0.001 0.000 2.399 298 S HA -0.065 4.407 4.470 0.003 0.000 0.231 298 S C 1.636 176.244 174.600 0.013 0.000 1.022 298 S CA 0.766 58.970 58.200 0.006 0.000 0.983 298 S CB -0.066 63.138 63.200 0.006 0.000 0.803 298 S HN 0.230 nan 8.310 nan 0.000 0.480 299 K N 1.784 122.191 120.400 0.011 0.000 2.362 299 K HA 0.225 4.547 4.320 0.003 0.000 0.200 299 K C 2.241 178.855 176.600 0.023 0.000 1.046 299 K CA 0.977 57.273 56.287 0.015 0.000 0.952 299 K CB -0.966 31.539 32.500 0.009 0.000 0.753 299 K HN 0.557 nan 8.250 nan 0.000 0.466 300 A N 0.908 123.740 122.820 0.019 0.000 1.930 300 A HA -0.050 4.272 4.320 0.003 0.000 0.217 300 A C 2.430 180.055 177.584 0.068 0.000 1.175 300 A CA 1.869 53.920 52.037 0.024 0.000 0.627 300 A CB -0.812 18.185 19.000 -0.006 0.000 0.815 300 A HN 0.354 nan 8.150 nan 0.000 0.443 301 G N -0.496 108.345 108.800 0.068 0.000 2.402 301 G HA2 -0.222 3.740 3.960 0.003 0.000 0.216 301 G HA3 -0.222 3.740 3.960 0.003 0.000 0.216 301 G C 1.716 176.689 174.900 0.121 0.000 1.162 301 G CA 0.936 46.111 45.100 0.125 0.000 0.777 301 G HN 0.573 nan 8.290 nan 0.000 0.539 302 R N 0.056 120.593 120.500 0.062 0.000 2.091 302 R HA -0.057 4.285 4.340 0.003 0.000 0.238 302 R C 2.493 178.810 176.300 0.029 0.000 1.136 302 R CA 1.670 57.790 56.100 0.033 0.000 0.959 302 R CB -0.404 29.906 30.300 0.017 0.000 0.856 302 R HN 0.245 nan 8.270 nan 0.000 0.437 303 V N 0.874 120.818 119.914 0.050 0.000 2.358 303 V HA -0.210 3.911 4.120 0.003 0.000 0.246 303 V C 2.077 178.214 176.094 0.072 0.000 1.047 303 V CA 1.791 64.118 62.300 0.045 0.000 1.035 303 V CB -0.742 31.108 31.823 0.045 0.000 0.658 303 V HN 0.354 nan 8.190 nan 0.000 0.452 304 F N 2.408 122.340 119.950 -0.030 0.000 2.161 304 F HA -0.054 4.476 4.527 0.004 0.000 0.300 304 F C 2.125 177.908 175.800 -0.029 0.000 1.089 304 F CA 1.460 59.441 58.000 -0.031 0.000 1.282 304 F CB -0.967 38.015 39.000 -0.031 0.000 1.010 304 F HN 0.132 nan 8.300 nan 0.000 0.485 305 G N 0.669 109.340 108.800 -0.215 0.000 2.442 305 G HA2 -0.239 3.722 3.960 0.003 0.000 0.219 305 G HA3 -0.239 3.722 3.960 0.003 0.000 0.219 305 G C 1.802 176.548 174.900 -0.257 0.000 1.141 305 G CA 0.543 45.460 45.100 -0.305 0.000 0.763 305 G HN 0.220 nan 8.290 nan 0.000 0.554 306 R N -0.401 120.005 120.500 -0.157 0.000 2.115 306 R HA 0.103 4.445 4.340 0.003 0.000 0.226 306 R C 2.382 178.595 176.300 -0.145 0.000 1.100 306 R CA 0.432 56.459 56.100 -0.122 0.000 0.980 306 R CB -1.017 29.242 30.300 -0.069 0.000 0.875 306 R HN 0.446 nan 8.270 nan 0.000 0.445 307 L N 0.874 121.998 121.223 -0.166 0.000 2.027 307 L HA 0.008 4.350 4.340 0.003 0.000 0.206 307 L C 2.169 178.915 176.870 -0.207 0.000 1.074 307 L CA 1.970 56.726 54.840 -0.140 0.000 0.745 307 L CB -0.872 41.157 42.059 -0.049 0.000 0.898 307 L HN 0.121 nan 8.230 nan 0.000 0.433 308 A N -0.334 122.252 122.820 -0.390 0.000 1.902 308 A HA -0.127 4.195 4.320 0.003 0.000 0.217 308 A C 2.462 179.915 177.584 -0.217 0.000 1.181 308 A CA 2.017 53.840 52.037 -0.358 0.000 0.623 308 A CB -1.261 17.399 19.000 -0.567 0.000 0.818 308 A HN 0.593 nan 8.150 nan 0.000 0.443 309 A N -0.312 122.385 122.820 -0.205 0.000 1.883 309 A HA -0.124 4.198 4.320 0.003 0.000 0.217 309 A C 2.131 179.644 177.584 -0.117 0.000 1.186 309 A CA 1.838 53.790 52.037 -0.142 0.000 0.624 309 A CB -0.636 18.288 19.000 -0.126 0.000 0.822 309 A HN 0.693 nan 8.150 nan 0.000 0.444 310 I N -0.264 120.235 120.570 -0.118 0.000 2.315 310 I HA -0.176 3.996 4.170 0.003 0.000 0.248 310 I C 2.134 178.192 176.117 -0.100 0.000 1.117 310 I CA 1.191 62.426 61.300 -0.108 0.000 1.404 310 I CB -0.234 37.699 38.000 -0.112 0.000 1.071 310 I HN 0.332 nan 8.210 nan 0.000 0.419 311 L N -0.854 120.312 121.223 -0.096 0.000 2.093 311 L HA -0.199 4.143 4.340 0.003 0.000 0.208 311 L C 2.514 179.342 176.870 -0.071 0.000 1.085 311 L CA 1.604 56.398 54.840 -0.077 0.000 0.755 311 L CB -0.591 41.429 42.059 -0.066 0.000 0.904 311 L HN 0.334 nan 8.230 nan 0.000 0.435 312 M N -0.662 118.891 119.600 -0.079 0.000 2.175 312 M HA -0.129 4.353 4.480 0.003 0.000 0.264 312 M C 2.021 178.281 176.300 -0.068 0.000 1.063 312 M CA 1.543 56.802 55.300 -0.069 0.000 1.119 312 M CB -0.073 32.482 32.600 -0.074 0.000 1.377 312 M HN -0.058 nan 8.290 nan 0.000 0.415 313 V N 0.149 120.016 119.914 -0.077 0.000 2.407 313 V HA -0.251 3.870 4.120 0.003 0.000 0.248 313 V C 2.220 178.267 176.094 -0.078 0.000 1.055 313 V CA 1.707 63.959 62.300 -0.079 0.000 1.049 313 V CB -0.658 31.112 31.823 -0.088 0.000 0.662 313 V HN 0.523 nan 8.190 nan 0.000 0.455 314 L N -0.770 120.407 121.223 -0.076 0.000 2.270 314 L HA 0.055 4.397 4.340 0.003 0.000 0.210 314 L C 1.484 178.321 176.870 -0.055 0.000 1.104 314 L CA 0.426 55.224 54.840 -0.070 0.000 0.804 314 L CB -0.251 41.764 42.059 -0.072 0.000 0.937 314 L HN 0.138 nan 8.230 nan 0.000 0.450 315 K N 1.549 121.918 120.400 -0.051 0.000 2.453 315 K HA 0.007 4.329 4.320 0.003 0.000 0.280 315 K C 0.871 177.449 176.600 -0.037 0.000 1.045 315 K CA 0.990 57.253 56.287 -0.040 0.000 1.059 315 K CB 0.301 32.779 32.500 -0.037 0.000 0.901 315 K HN 0.295 nan 8.250 nan 0.000 0.475 316 G N 3.989 112.770 108.800 -0.031 0.000 2.153 316 G HA2 -0.266 3.696 3.960 0.003 0.000 0.252 316 G HA3 -0.266 3.696 3.960 0.003 0.000 0.252 316 G C 0.253 175.134 174.900 -0.031 0.000 0.994 316 G CA 0.653 45.736 45.100 -0.028 0.000 0.698 316 G HN 0.763 nan 8.290 nan 0.000 0.521 317 I N -1.892 118.656 120.570 -0.037 0.000 2.498 317 I HA 0.750 4.921 4.170 0.003 0.000 0.301 317 I C -1.492 174.606 176.117 -0.032 0.000 0.984 317 I CA -2.789 58.486 61.300 -0.041 0.000 1.204 317 I CB 0.758 38.722 38.000 -0.060 0.000 1.362 317 I HN -0.140 nan 8.210 nan 0.000 0.471 318 P HA 0.030 nan 4.420 nan 0.000 0.269 318 P C -0.437 176.858 177.300 -0.009 0.000 1.205 318 P CA -0.031 63.060 63.100 -0.015 0.000 0.780 318 P CB 0.337 32.030 31.700 -0.012 0.000 0.858 319 S N 0.830 116.531 115.700 0.002 0.000 4.139 319 S HA 0.330 4.802 4.470 0.003 0.000 0.215 319 S C 0.288 174.905 174.600 0.028 0.000 1.390 319 S CA 0.101 58.309 58.200 0.013 0.000 0.885 319 S CB -0.883 62.325 63.200 0.014 0.000 1.560 319 S HN 0.637 nan 8.310 nan 0.000 0.449 320 T N 0.689 115.264 114.554 0.034 0.000 2.658 320 T HA 0.464 4.816 4.350 0.003 0.000 0.306 320 T C -1.818 172.941 174.700 0.098 0.000 1.544 320 T CA -0.658 61.487 62.100 0.074 0.000 0.991 320 T CB 0.091 69.000 68.868 0.068 0.000 1.774 320 T HN 0.190 nan 8.240 nan 0.000 0.479 321 F N 2.694 122.643 119.950 -0.001 0.000 2.396 321 F HA 0.682 5.211 4.527 0.003 0.000 0.343 321 F C 0.187 175.983 175.800 -0.006 0.000 1.104 321 F CA 0.370 58.368 58.000 -0.002 0.000 1.161 321 F CB 0.946 39.946 39.000 -0.001 0.000 1.146 321 F HN 0.673 nan 8.300 nan 0.000 0.522 322 S N 4.862 120.045 115.700 -0.862 0.000 2.565 322 S HA 0.331 4.803 4.470 0.003 0.000 0.269 322 S C 0.067 174.227 174.600 -0.733 0.000 1.153 322 S CA -1.041 56.825 58.200 -0.557 0.000 0.835 322 S CB 1.835 64.879 63.200 -0.261 0.000 1.122 322 S HN 0.573 nan 8.310 nan 0.000 0.462 323 K N 1.004 121.170 120.400 -0.389 0.000 2.281 323 K HA -0.133 4.189 4.320 0.003 0.000 0.203 323 K C 0.859 177.321 176.600 -0.230 0.000 1.046 323 K CA 1.768 57.896 56.287 -0.265 0.000 0.938 323 K CB -0.791 31.640 32.500 -0.115 0.000 0.737 323 K HN 0.733 nan 8.250 nan 0.000 0.458 324 D N 0.667 120.933 120.400 -0.224 0.000 2.133 324 D HA -0.200 4.442 4.640 0.003 0.000 0.192 324 D C 1.606 177.807 176.300 -0.165 0.000 1.001 324 D CA 0.887 54.788 54.000 -0.165 0.000 0.844 324 D CB -0.142 40.570 40.800 -0.147 0.000 0.944 324 D HN -0.003 nan 8.370 nan 0.000 0.447 325 L N 0.787 121.875 121.223 -0.225 0.000 2.263 325 L HA -0.188 4.154 4.340 0.003 0.000 0.216 325 L C 2.222 179.034 176.870 -0.098 0.000 1.111 325 L CA 1.308 56.048 54.840 -0.166 0.000 0.773 325 L CB -1.070 40.871 42.059 -0.195 0.000 0.906 325 L HN 0.190 nan 8.230 nan 0.000 0.439 326 Q N -0.210 119.532 119.800 -0.096 0.000 2.234 326 Q HA -0.233 4.109 4.340 0.003 0.000 0.206 326 Q C 1.474 177.455 176.000 -0.032 0.000 0.980 326 Q CA 1.285 57.068 55.803 -0.034 0.000 0.869 326 Q CB 0.070 28.790 28.738 -0.029 0.000 0.912 326 Q HN 0.491 nan 8.270 nan 0.000 0.436 327 E N 1.380 121.548 120.200 -0.054 0.000 2.409 327 E HA -0.157 4.195 4.350 0.003 0.000 0.198 327 E C 1.364 177.934 176.600 -0.050 0.000 1.024 327 E CA 1.171 57.540 56.400 -0.051 0.000 0.861 327 E CB -0.076 29.586 29.700 -0.065 0.000 0.788 327 E HN 0.672 nan 8.360 nan 0.000 0.521 328 D N 0.864 121.233 120.400 -0.051 0.000 2.178 328 D HA -0.173 4.469 4.640 0.003 0.000 0.202 328 D C 1.578 177.863 176.300 -0.026 0.000 0.974 328 D CA 0.952 54.917 54.000 -0.058 0.000 0.841 328 D CB -0.285 40.467 40.800 -0.079 0.000 0.953 328 D HN 0.076 nan 8.370 nan 0.000 0.478 329 K N 0.436 120.835 120.400 -0.001 0.000 1.985 329 K HA -0.123 4.199 4.320 0.003 0.000 0.210 329 K C 2.339 178.942 176.600 0.005 0.000 1.047 329 K CA 1.571 57.867 56.287 0.016 0.000 0.932 329 K CB -0.131 32.383 32.500 0.024 0.000 0.716 329 K HN 0.217 nan 8.250 nan 0.000 0.439 330 E N 0.418 120.615 120.200 -0.005 0.000 2.085 330 E HA -0.224 4.128 4.350 0.003 0.000 0.194 330 E C 2.068 178.659 176.600 -0.015 0.000 0.994 330 E CA 1.094 57.489 56.400 -0.009 0.000 0.801 330 E CB -0.154 29.537 29.700 -0.015 0.000 0.743 330 E HN 0.350 nan 8.360 nan 0.000 0.453 331 A N 1.201 124.005 122.820 -0.027 0.000 1.865 331 A HA -0.202 4.120 4.320 0.003 0.000 0.217 331 A C 2.600 180.169 177.584 -0.025 0.000 1.191 331 A CA 2.158 54.173 52.037 -0.036 0.000 0.623 331 A CB -1.045 17.921 19.000 -0.056 0.000 0.826 331 A HN 0.234 nan 8.150 nan 0.000 0.444 332 V N -1.836 118.068 119.914 -0.017 0.000 2.358 332 V HA -0.164 3.957 4.120 0.003 0.000 0.246 332 V C 2.349 178.451 176.094 0.013 0.000 1.047 332 V CA 1.744 64.044 62.300 0.000 0.000 1.035 332 V CB -1.153 30.680 31.823 0.018 0.000 0.658 332 V HN 0.457 nan 8.190 nan 0.000 0.452 333 L N 0.669 121.900 121.223 0.015 0.000 2.083 333 L HA -0.169 4.172 4.340 0.003 0.000 0.209 333 L C 2.619 179.495 176.870 0.011 0.000 1.083 333 L CA 2.332 57.183 54.840 0.017 0.000 0.752 333 L CB -0.827 41.241 42.059 0.016 0.000 0.899 333 L HN 0.439 nan 8.230 nan 0.000 0.433 334 D N -0.041 120.361 120.400 0.003 0.000 2.117 334 D HA -0.152 4.490 4.640 0.003 0.000 0.197 334 D C 2.107 178.409 176.300 0.002 0.000 0.987 334 D CA 1.113 55.113 54.000 -0.000 0.000 0.829 334 D CB 0.124 40.919 40.800 -0.008 0.000 0.961 334 D HN 0.020 nan 8.370 nan 0.000 0.460 335 V N 0.585 120.500 119.914 0.002 0.000 2.295 335 V HA -0.232 3.890 4.120 0.003 0.000 0.246 335 V C 2.778 178.880 176.094 0.013 0.000 1.049 335 V CA 1.805 64.109 62.300 0.006 0.000 1.024 335 V CB -0.721 31.104 31.823 0.004 0.000 0.648 335 V HN 0.351 nan 8.190 nan 0.000 0.447 336 V N -1.203 118.722 119.914 0.019 0.000 2.343 336 V HA -0.211 3.911 4.120 0.003 0.000 0.247 336 V C 2.085 178.192 176.094 0.022 0.000 1.051 336 V CA 2.315 64.631 62.300 0.027 0.000 1.036 336 V CB -0.963 30.882 31.823 0.036 0.000 0.654 336 V HN 0.435 nan 8.190 nan 0.000 0.451 337 D N 0.689 121.099 120.400 0.016 0.000 2.117 337 D HA -0.090 4.552 4.640 0.003 0.000 0.198 337 D C 2.352 178.652 176.300 0.001 0.000 0.982 337 D CA 2.067 56.073 54.000 0.009 0.000 0.828 337 D CB -0.620 40.184 40.800 0.008 0.000 0.967 337 D HN 0.520 nan 8.370 nan 0.000 0.464 338 T N 1.193 115.749 114.554 0.002 0.000 2.674 338 T HA -0.132 4.220 4.350 0.003 0.000 0.265 338 T C 1.908 176.605 174.700 -0.005 0.000 1.039 338 T CA 0.540 62.640 62.100 -0.001 0.000 1.150 338 T CB -0.406 68.464 68.868 0.003 0.000 0.864 338 T HN 0.003 nan 8.240 nan 0.000 0.427 339 L N 0.963 122.187 121.223 0.002 0.000 2.042 339 L HA -0.109 4.233 4.340 0.003 0.000 0.210 339 L C 2.612 179.476 176.870 -0.009 0.000 1.076 339 L CA 1.850 56.692 54.840 0.004 0.000 0.749 339 L CB -1.205 40.865 42.059 0.018 0.000 0.893 339 L HN 0.236 nan 8.230 nan 0.000 0.432 340 T N -0.534 114.013 114.554 -0.011 0.000 2.674 340 T HA -0.190 4.161 4.350 0.003 0.000 0.265 340 T C 1.857 176.470 174.700 -0.145 0.000 1.039 340 T CA 1.494 63.562 62.100 -0.054 0.000 1.150 340 T CB -0.487 68.376 68.868 -0.008 0.000 0.864 340 T HN 0.512 nan 8.240 nan 0.000 0.427 341 A N 0.715 123.484 122.820 -0.085 0.000 1.930 341 A HA -0.023 4.299 4.320 0.003 0.000 0.217 341 A C 2.570 180.115 177.584 -0.066 0.000 1.175 341 A CA 1.210 53.200 52.037 -0.080 0.000 0.627 341 A CB -0.929 18.050 19.000 -0.036 0.000 0.815 341 A HN 0.356 nan 8.150 nan 0.000 0.443 342 V N 0.144 120.031 119.914 -0.045 0.000 2.343 342 V HA -0.241 3.881 4.120 0.003 0.000 0.247 342 V C 2.538 178.607 176.094 -0.041 0.000 1.051 342 V CA 1.875 64.158 62.300 -0.029 0.000 1.036 342 V CB -0.697 31.117 31.823 -0.015 0.000 0.654 342 V HN 0.573 nan 8.190 nan 0.000 0.451 343 L N -0.702 120.490 121.223 -0.053 0.000 2.083 343 L HA -0.230 4.112 4.340 0.003 0.000 0.209 343 L C 2.648 179.482 176.870 -0.059 0.000 1.083 343 L CA 1.566 56.383 54.840 -0.038 0.000 0.752 343 L CB -0.558 41.505 42.059 0.006 0.000 0.899 343 L HN 0.378 nan 8.230 nan 0.000 0.433 344 Q N -0.681 119.041 119.800 -0.129 0.000 2.079 344 Q HA -0.162 4.180 4.340 0.003 0.000 0.200 344 Q C 2.372 178.357 176.000 -0.025 0.000 0.974 344 Q CA 1.376 57.119 55.803 -0.100 0.000 0.840 344 Q CB -0.094 28.538 28.738 -0.176 0.000 0.898 344 Q HN 0.337 nan 8.270 nan 0.000 0.430 345 V N 0.891 120.799 119.914 -0.010 0.000 2.343 345 V HA -0.274 3.848 4.120 0.003 0.000 0.247 345 V C 2.248 178.269 176.094 -0.122 0.000 1.051 345 V CA 1.776 64.095 62.300 0.031 0.000 1.036 345 V CB -0.954 30.911 31.823 0.071 0.000 0.654 345 V HN 0.394 nan 8.190 nan 0.000 0.451 346 A N -0.149 122.613 122.820 -0.098 0.000 1.908 346 A HA -0.244 4.077 4.320 0.003 0.000 0.218 346 A C 2.406 179.898 177.584 -0.153 0.000 1.181 346 A CA 2.580 54.541 52.037 -0.128 0.000 0.627 346 A CB -1.057 17.895 19.000 -0.080 0.000 0.818 346 A HN 0.499 nan 8.150 nan 0.000 0.445 347 T N -0.198 114.296 114.554 -0.100 0.000 2.720 347 T HA -0.073 4.279 4.350 0.003 0.000 0.268 347 T C 1.945 176.571 174.700 -0.124 0.000 1.037 347 T CA 1.540 63.595 62.100 -0.074 0.000 1.144 347 T CB -0.670 68.193 68.868 -0.009 0.000 0.864 347 T HN 0.607 nan 8.240 nan 0.000 0.444 348 G N 1.125 109.810 108.800 -0.192 0.000 2.433 348 G HA2 -0.182 3.780 3.960 0.003 0.000 0.216 348 G HA3 -0.182 3.780 3.960 0.003 0.000 0.216 348 G C 1.717 176.225 174.900 -0.654 0.000 1.186 348 G CA 0.904 45.822 45.100 -0.303 0.000 0.779 348 G HN 0.424 nan 8.290 nan 0.000 0.543 349 V N 1.260 120.615 119.914 -0.932 0.000 2.282 349 V HA -0.218 3.904 4.120 0.003 0.000 0.249 349 V C 2.791 178.745 176.094 -0.233 0.000 1.057 349 V CA 1.849 63.770 62.300 -0.631 0.000 1.032 349 V CB -0.390 31.193 31.823 -0.400 0.000 0.645 349 V HN 0.410 nan 8.190 nan 0.000 0.447 350 I N 0.688 121.160 120.570 -0.163 0.000 2.439 350 I HA -0.150 4.022 4.170 0.003 0.000 0.251 350 I C 2.503 178.621 176.117 0.001 0.000 1.139 350 I CA 1.598 62.871 61.300 -0.046 0.000 1.438 350 I CB -0.365 37.600 38.000 -0.059 0.000 1.085 350 I HN 0.486 nan 8.210 nan 0.000 0.427 351 S N -0.531 115.155 115.700 -0.023 0.000 2.470 351 S HA -0.077 4.395 4.470 0.003 0.000 0.225 351 S C 1.707 176.336 174.600 0.049 0.000 1.006 351 S CA 0.989 59.203 58.200 0.023 0.000 0.934 351 S CB -0.575 62.638 63.200 0.022 0.000 0.778 351 S HN 0.525 nan 8.310 nan 0.000 0.517 352 T N 0.056 114.637 114.554 0.045 0.000 3.085 352 T HA 0.481 4.833 4.350 0.003 0.000 0.264 352 T C 0.266 175.023 174.700 0.095 0.000 1.019 352 T CA -0.588 61.568 62.100 0.092 0.000 0.910 352 T CB -0.576 68.394 68.868 0.171 0.000 1.059 352 T HN 0.397 nan 8.240 nan 0.000 0.542 353 L N -0.054 121.218 121.223 0.081 0.000 2.439 353 L HA 0.661 5.002 4.340 0.003 0.000 0.261 353 L C -0.379 176.544 176.870 0.088 0.000 1.153 353 L CA -0.589 54.307 54.840 0.094 0.000 0.808 353 L CB 0.349 42.476 42.059 0.113 0.000 1.126 353 L HN 0.013 nan 8.230 nan 0.000 0.460 354 Q N 2.733 122.571 119.800 0.064 0.000 2.333 354 Q HA 0.618 4.960 4.340 0.003 0.000 0.267 354 Q C -0.780 175.204 176.000 -0.026 0.000 1.012 354 Q CA -0.672 55.146 55.803 0.025 0.000 0.824 354 Q CB 2.629 31.379 28.738 0.021 0.000 1.290 354 Q HN 0.812 nan 8.270 nan 0.000 0.449 355 I N -0.280 120.228 120.570 -0.103 0.000 2.428 355 I HA 0.415 4.587 4.170 0.003 0.000 0.296 355 I C -0.489 175.516 176.117 -0.186 0.000 0.985 355 I CA -0.792 60.352 61.300 -0.260 0.000 1.260 355 I CB 1.072 38.749 38.000 -0.538 0.000 1.389 355 I HN 0.366 nan 8.210 nan 0.000 0.484 356 N N 5.844 124.441 118.700 -0.172 0.000 2.955 356 N HA 0.186 4.928 4.740 0.003 0.000 0.242 356 N C 0.317 175.736 175.510 -0.152 0.000 1.123 356 N CA -0.333 52.654 53.050 -0.105 0.000 0.949 356 N CB 1.355 39.827 38.487 -0.025 0.000 1.214 356 N HN 0.657 nan 8.380 nan 0.000 0.504 357 K N 0.761 121.056 120.400 -0.174 0.000 2.173 357 K HA -0.235 4.086 4.320 0.003 0.000 0.207 357 K C 1.491 178.011 176.600 -0.134 0.000 1.046 357 K CA 1.327 57.505 56.287 -0.182 0.000 0.929 357 K CB 0.312 32.732 32.500 -0.134 0.000 0.720 357 K HN 0.449 nan 8.250 nan 0.000 0.453 358 E N 1.067 121.215 120.200 -0.086 0.000 2.023 358 E HA -0.191 4.161 4.350 0.003 0.000 0.196 358 E C 1.551 178.123 176.600 -0.047 0.000 1.003 358 E CA 1.698 58.065 56.400 -0.055 0.000 0.809 358 E CB -0.013 29.668 29.700 -0.033 0.000 0.755 358 E HN 0.332 nan 8.360 nan 0.000 0.449 359 N N -0.541 118.148 118.700 -0.018 0.000 2.272 359 N HA -0.174 4.568 4.740 0.003 0.000 0.185 359 N C 1.824 177.350 175.510 0.027 0.000 1.014 359 N CA 1.041 54.123 53.050 0.053 0.000 0.870 359 N CB -0.064 38.508 38.487 0.143 0.000 0.975 359 N HN 0.221 nan 8.380 nan 0.000 0.433 360 M N 0.609 120.097 119.600 -0.187 0.000 2.099 360 M HA -0.129 4.353 4.480 0.003 0.000 0.262 360 M C 1.804 177.949 176.300 -0.260 0.000 1.067 360 M CA 1.468 56.484 55.300 -0.473 0.000 1.124 360 M CB -0.161 32.090 32.600 -0.581 0.000 1.353 360 M HN 0.146 nan 8.290 nan 0.000 0.410 361 E N 0.392 120.497 120.200 -0.159 0.000 2.028 361 E HA -0.225 4.127 4.350 0.003 0.000 0.191 361 E C 1.893 178.457 176.600 -0.060 0.000 0.988 361 E CA 1.073 57.413 56.400 -0.100 0.000 0.799 361 E CB -0.191 29.465 29.700 -0.073 0.000 0.755 361 E HN 0.166 nan 8.360 nan 0.000 0.447 362 K N 1.260 121.637 120.400 -0.038 0.000 2.362 362 K HA -0.118 4.204 4.320 0.003 0.000 0.202 362 K C 1.514 178.114 176.600 -0.000 0.000 1.045 362 K CA 1.186 57.464 56.287 -0.014 0.000 0.936 362 K CB -0.193 32.306 32.500 -0.003 0.000 0.747 362 K HN 0.134 nan 8.250 nan 0.000 0.467 363 A N -0.181 122.646 122.820 0.012 0.000 2.132 363 A HA 0.176 4.498 4.320 0.003 0.000 0.213 363 A C 0.525 178.104 177.584 -0.007 0.000 1.154 363 A CA 0.052 52.116 52.037 0.047 0.000 0.753 363 A CB -0.096 19.020 19.000 0.193 0.000 0.826 363 A HN 0.213 nan 8.150 nan 0.000 0.469 364 L N 2.738 123.939 121.223 -0.036 0.000 2.356 364 L HA 0.188 4.530 4.340 0.003 0.000 0.282 364 L C 0.446 177.302 176.870 -0.022 0.000 1.132 364 L CA -0.525 54.290 54.840 -0.042 0.000 0.923 364 L CB 0.362 42.390 42.059 -0.052 0.000 1.278 364 L HN 0.344 nan 8.230 nan 0.000 0.436 365 T N -0.796 113.747 114.554 -0.018 0.000 2.899 365 T HA 0.295 4.647 4.350 0.003 0.000 0.284 365 T C -1.316 173.390 174.700 0.010 0.000 1.004 365 T CA -1.735 60.362 62.100 -0.006 0.000 1.043 365 T CB 1.339 70.201 68.868 -0.009 0.000 1.013 365 T HN 0.290 nan 8.240 nan 0.000 0.518 366 P HA -0.211 nan 4.420 nan 0.000 0.216 366 P C 1.214 178.557 177.300 0.071 0.000 1.150 366 P CA 1.508 64.650 63.100 0.070 0.000 0.837 366 P CB 0.040 31.784 31.700 0.073 0.000 0.786 367 E N 0.260 120.485 120.200 0.042 0.000 2.147 367 E HA -0.194 4.157 4.350 0.003 0.000 0.199 367 E C 1.752 178.367 176.600 0.024 0.000 1.005 367 E CA 0.929 57.350 56.400 0.035 0.000 0.810 367 E CB -1.360 28.349 29.700 0.016 0.000 0.736 367 E HN 0.111 nan 8.360 nan 0.000 0.460 368 L N 0.528 121.757 121.223 0.009 0.000 2.551 368 L HA -0.075 4.267 4.340 0.003 0.000 0.230 368 L C 1.796 178.668 176.870 0.003 0.000 1.163 368 L CA 1.289 56.127 54.840 -0.004 0.000 0.826 368 L CB -0.394 41.650 42.059 -0.024 0.000 0.943 368 L HN 0.279 nan 8.230 nan 0.000 0.452 369 L N -1.825 119.401 121.223 0.005 0.000 2.640 369 L HA 0.085 4.427 4.340 0.003 0.000 0.230 369 L C 2.187 179.027 176.870 -0.050 0.000 1.123 369 L CA 0.366 55.188 54.840 -0.031 0.000 0.900 369 L CB -0.252 41.768 42.059 -0.065 0.000 1.146 369 L HN 0.269 nan 8.230 nan 0.000 0.484 370 S N -1.508 114.191 115.700 -0.002 0.000 2.419 370 S HA -0.181 4.291 4.470 0.003 0.000 0.235 370 S C 1.808 176.421 174.600 0.022 0.000 1.019 370 S CA 1.715 59.925 58.200 0.016 0.000 0.982 370 S CB -0.533 62.691 63.200 0.041 0.000 0.789 370 S HN 0.345 nan 8.310 nan 0.000 0.490 371 T N 2.017 116.584 114.554 0.023 0.000 2.896 371 T HA -0.005 4.347 4.350 0.003 0.000 0.263 371 T C 1.253 175.969 174.700 0.027 0.000 1.050 371 T CA 1.258 63.381 62.100 0.037 0.000 1.140 371 T CB -0.459 68.441 68.868 0.054 0.000 0.877 371 T HN 0.427 nan 8.240 nan 0.000 0.457 372 D N 1.145 121.543 120.400 -0.003 0.000 2.178 372 D HA -0.013 4.629 4.640 0.003 0.000 0.202 372 D C 1.932 178.221 176.300 -0.019 0.000 0.974 372 D CA 0.401 54.384 54.000 -0.028 0.000 0.841 372 D CB -0.350 40.403 40.800 -0.079 0.000 0.953 372 D HN 0.181 nan 8.370 nan 0.000 0.478 373 L N 0.698 121.897 121.223 -0.039 0.000 2.131 373 L HA -0.053 4.289 4.340 0.003 0.000 0.210 373 L C 2.008 178.986 176.870 0.180 0.000 1.092 373 L CA 1.397 56.260 54.840 0.037 0.000 0.759 373 L CB -0.538 41.531 42.059 0.017 0.000 0.903 373 L HN -0.028 nan 8.230 nan 0.000 0.435 374 A N -1.333 121.553 122.820 0.111 0.000 1.975 374 A HA 0.009 4.331 4.320 0.003 0.000 0.215 374 A C 2.183 179.799 177.584 0.053 0.000 1.170 374 A CA 0.948 53.040 52.037 0.091 0.000 0.656 374 A CB -0.550 18.489 19.000 0.066 0.000 0.821 374 A HN 0.422 nan 8.150 nan 0.000 0.449 375 L N -1.612 119.640 121.223 0.049 0.000 2.141 375 L HA -0.176 4.165 4.340 0.003 0.000 0.209 375 L C 2.524 179.413 176.870 0.033 0.000 1.094 375 L CA 1.454 56.305 54.840 0.018 0.000 0.763 375 L CB -0.564 41.492 42.059 -0.004 0.000 0.908 375 L HN 0.616 nan 8.230 nan 0.000 0.437 376 Y N 1.000 121.267 120.300 -0.055 0.000 2.145 376 Y HA -0.260 4.292 4.550 0.003 0.000 0.286 376 Y C 2.284 178.127 175.900 -0.094 0.000 1.145 376 Y CA 1.565 59.630 58.100 -0.059 0.000 1.148 376 Y CB -0.347 38.101 38.460 -0.020 0.000 0.981 376 Y HN -0.005 nan 8.280 nan 0.000 0.507 377 L N -1.143 119.955 121.223 -0.208 0.000 2.046 377 L HA -0.216 4.126 4.340 0.003 0.000 0.208 377 L C 2.408 179.125 176.870 -0.255 0.000 1.077 377 L CA 1.136 55.761 54.840 -0.359 0.000 0.747 377 L CB -0.887 41.023 42.059 -0.248 0.000 0.896 377 L HN 0.106 nan 8.230 nan 0.000 0.432 378 V N 0.026 119.853 119.914 -0.146 0.000 2.332 378 V HA -0.293 3.829 4.120 0.003 0.000 0.248 378 V C 2.581 178.598 176.094 -0.129 0.000 1.055 378 V CA 1.776 64.010 62.300 -0.109 0.000 1.038 378 V CB -0.675 31.111 31.823 -0.062 0.000 0.651 378 V HN 0.439 nan 8.190 nan 0.000 0.450 379 R N -0.113 120.296 120.500 -0.151 0.000 2.189 379 R HA -0.060 4.282 4.340 0.003 0.000 0.223 379 R C 1.834 178.023 176.300 -0.185 0.000 1.092 379 R CA 0.560 56.574 56.100 -0.143 0.000 0.989 379 R CB -0.162 30.068 30.300 -0.117 0.000 0.876 379 R HN 0.356 nan 8.270 nan 0.000 0.457 380 K N -0.378 119.859 120.400 -0.272 0.000 2.444 380 K HA 0.092 4.414 4.320 0.003 0.000 0.193 380 K C 1.104 177.595 176.600 -0.181 0.000 1.024 380 K CA 0.704 56.831 56.287 -0.268 0.000 1.077 380 K CB 0.842 33.103 32.500 -0.399 0.000 0.833 380 K HN 0.429 nan 8.250 nan 0.000 0.517 381 G N 1.193 109.904 108.800 -0.148 0.000 2.232 381 G HA2 -0.267 3.695 3.960 0.003 0.000 0.226 381 G HA3 -0.267 3.695 3.960 0.003 0.000 0.226 381 G C 0.211 175.052 174.900 -0.099 0.000 0.996 381 G CA 0.127 45.163 45.100 -0.107 0.000 0.626 381 G HN 0.343 nan 8.290 nan 0.000 0.509 382 M N 2.387 121.913 119.600 -0.123 0.000 2.239 382 M HA 0.432 4.914 4.480 0.003 0.000 0.348 382 M C -2.043 174.211 176.300 -0.075 0.000 1.239 382 M CA -1.200 54.039 55.300 -0.102 0.000 1.114 382 M CB 0.612 33.134 32.600 -0.131 0.000 1.641 382 M HN -0.005 nan 8.290 nan 0.000 0.453 383 P HA -0.013 nan 4.420 nan 0.000 0.269 383 P C 0.409 177.691 177.300 -0.030 0.000 1.209 383 P CA -0.171 62.907 63.100 -0.037 0.000 0.776 383 P CB 0.462 32.146 31.700 -0.027 0.000 0.876 384 I N 3.748 124.305 120.570 -0.021 0.000 2.194 384 I HA -0.356 3.816 4.170 0.003 0.000 0.246 384 I C 2.493 178.609 176.117 -0.001 0.000 1.093 384 I CA 2.344 63.638 61.300 -0.010 0.000 1.355 384 I CB -0.805 37.194 38.000 -0.003 0.000 1.046 384 I HN 0.313 nan 8.210 nan 0.000 0.413 385 R N 0.106 120.606 120.500 -0.000 0.000 2.083 385 R HA -0.200 4.142 4.340 0.003 0.000 0.237 385 R C 2.142 178.446 176.300 0.008 0.000 1.137 385 R CA 2.189 58.292 56.100 0.006 0.000 0.951 385 R CB -1.698 28.605 30.300 0.004 0.000 0.851 385 R HN 0.712 nan 8.270 nan 0.000 0.434 386 Q N -0.531 119.268 119.800 -0.002 0.000 2.123 386 Q HA 0.092 4.434 4.340 0.003 0.000 0.199 386 Q C 2.685 178.687 176.000 0.003 0.000 0.966 386 Q CA 1.241 57.043 55.803 -0.001 0.000 0.845 386 Q CB -0.139 28.589 28.738 -0.016 0.000 0.907 386 Q HN 0.675 nan 8.270 nan 0.000 0.439 387 A N 1.040 123.855 122.820 -0.008 0.000 1.902 387 A HA -0.260 4.062 4.320 0.003 0.000 0.217 387 A C 1.991 179.598 177.584 0.039 0.000 1.181 387 A CA 1.434 53.470 52.037 -0.001 0.000 0.623 387 A CB -0.454 18.534 19.000 -0.021 0.000 0.818 387 A HN 0.328 nan 8.150 nan 0.000 0.443 388 Q N -0.707 119.113 119.800 0.034 0.000 2.002 388 Q HA -0.177 4.165 4.340 0.003 0.000 0.204 388 Q C 2.432 178.467 176.000 0.058 0.000 0.988 388 Q CA 2.424 58.255 55.803 0.047 0.000 0.843 388 Q CB -0.546 28.214 28.738 0.036 0.000 0.908 388 Q HN 0.893 nan 8.270 nan 0.000 0.420 389 T N -1.175 113.409 114.554 0.049 0.000 2.803 389 T HA -0.113 4.238 4.350 0.003 0.000 0.269 389 T C 1.898 176.643 174.700 0.074 0.000 1.052 389 T CA 1.118 63.250 62.100 0.054 0.000 1.136 389 T CB -0.317 68.575 68.868 0.039 0.000 0.864 389 T HN 0.297 nan 8.240 nan 0.000 0.467 390 A N 2.550 125.422 122.820 0.088 0.000 1.858 390 A HA -0.053 4.268 4.320 0.003 0.000 0.216 390 A C 2.805 180.495 177.584 0.176 0.000 1.190 390 A CA 2.571 54.692 52.037 0.139 0.000 0.617 390 A CB -1.323 17.770 19.000 0.154 0.000 0.827 390 A HN 0.801 nan 8.150 nan 0.000 0.443 391 S N -0.372 115.433 115.700 0.175 0.000 2.419 391 S HA 0.005 4.477 4.470 0.003 0.000 0.233 391 S C 1.930 176.600 174.600 0.115 0.000 1.016 391 S CA 1.327 59.624 58.200 0.163 0.000 0.974 391 S CB -1.036 62.247 63.200 0.137 0.000 0.786 391 S HN 0.731 nan 8.310 nan 0.000 0.492 392 G N 1.901 110.762 108.800 0.102 0.000 2.408 392 G HA2 -0.109 3.853 3.960 0.003 0.000 0.217 392 G HA3 -0.109 3.853 3.960 0.003 0.000 0.217 392 G C 1.528 176.497 174.900 0.114 0.000 1.150 392 G CA 0.596 45.754 45.100 0.095 0.000 0.776 392 G HN 0.589 nan 8.290 nan 0.000 0.542 393 K N 0.592 121.051 120.400 0.100 0.000 2.211 393 K HA 0.145 4.467 4.320 0.003 0.000 0.203 393 K C 2.861 179.516 176.600 0.092 0.000 1.050 393 K CA 0.746 57.081 56.287 0.080 0.000 0.945 393 K CB -0.099 32.429 32.500 0.046 0.000 0.732 393 K HN 0.269 nan 8.250 nan 0.000 0.451 394 A N 1.443 124.314 122.820 0.085 0.000 1.873 394 A HA -0.130 4.192 4.320 0.003 0.000 0.215 394 A C 2.402 180.030 177.584 0.073 0.000 1.186 394 A CA 1.750 53.820 52.037 0.054 0.000 0.616 394 A CB -0.832 18.191 19.000 0.040 0.000 0.823 394 A HN 0.193 nan 8.150 nan 0.000 0.442 395 V N -3.049 116.918 119.914 0.088 0.000 2.626 395 V HA -0.212 3.910 4.120 0.003 0.000 0.252 395 V C 2.281 178.424 176.094 0.082 0.000 1.067 395 V CA 2.482 64.826 62.300 0.073 0.000 1.081 395 V CB -1.171 30.688 31.823 0.060 0.000 0.686 395 V HN 0.696 nan 8.190 nan 0.000 0.468 396 H N 0.175 119.255 119.070 0.018 0.000 2.372 396 H HA 0.003 4.561 4.556 0.003 0.000 0.301 396 H C 2.065 177.396 175.328 0.006 0.000 1.065 396 H CA 2.165 58.221 56.048 0.013 0.000 1.364 396 H CB 0.119 29.891 29.762 0.016 0.000 1.406 396 H HN 0.470 nan 8.280 nan 0.000 0.521 397 L N 1.019 122.372 121.223 0.216 0.000 1.994 397 L HA -0.040 4.302 4.340 0.003 0.000 0.208 397 L C 2.686 179.599 176.870 0.071 0.000 1.071 397 L CA 2.165 57.078 54.840 0.121 0.000 0.745 397 L CB -1.261 40.825 42.059 0.046 0.000 0.892 397 L HN 0.261 nan 8.230 nan 0.000 0.431 398 A N -0.915 121.930 122.820 0.042 0.000 1.908 398 A HA -0.296 4.026 4.320 0.003 0.000 0.218 398 A C 2.306 179.894 177.584 0.008 0.000 1.181 398 A CA 1.897 53.940 52.037 0.010 0.000 0.627 398 A CB -0.829 18.173 19.000 0.002 0.000 0.818 398 A HN 0.617 nan 8.150 nan 0.000 0.445 399 E N -0.529 119.676 120.200 0.008 0.000 2.097 399 E HA -0.218 4.133 4.350 0.003 0.000 0.196 399 E C 2.143 178.732 176.600 -0.018 0.000 1.000 399 E CA 2.098 58.483 56.400 -0.026 0.000 0.804 399 E CB -0.161 29.489 29.700 -0.083 0.000 0.740 399 E HN 0.811 nan 8.360 nan 0.000 0.454 400 T N -1.483 113.084 114.554 0.023 0.000 2.857 400 T HA -0.045 4.307 4.350 0.003 0.000 0.266 400 T C 1.559 176.270 174.700 0.019 0.000 1.048 400 T CA 0.804 62.925 62.100 0.036 0.000 1.139 400 T CB -0.141 68.787 68.868 0.099 0.000 0.874 400 T HN 0.015 nan 8.240 nan 0.000 0.455 401 K N 1.352 121.761 120.400 0.015 0.000 2.569 401 K HA 0.280 4.602 4.320 0.003 0.000 0.193 401 K C 1.273 177.867 176.600 -0.010 0.000 1.026 401 K CA 0.231 56.518 56.287 0.001 0.000 1.093 401 K CB -0.437 32.060 32.500 -0.006 0.000 0.849 401 K HN 0.572 nan 8.250 nan 0.000 0.509 402 G N 2.669 111.463 108.800 -0.010 0.000 2.341 402 G HA2 -0.268 3.694 3.960 0.003 0.000 0.292 402 G HA3 -0.268 3.694 3.960 0.003 0.000 0.292 402 G C 0.125 175.012 174.900 -0.021 0.000 1.021 402 G CA 1.080 46.170 45.100 -0.016 0.000 0.905 402 G HN 0.545 nan 8.290 nan 0.000 0.508 403 I N -4.395 116.161 120.570 -0.023 0.000 3.354 403 I HA 0.891 5.063 4.170 0.003 0.000 0.316 403 I C 0.323 176.422 176.117 -0.030 0.000 1.182 403 I CA -0.815 60.466 61.300 -0.032 0.000 0.942 403 I CB 1.766 39.741 38.000 -0.043 0.000 1.299 403 I HN 0.165 nan 8.210 nan 0.000 0.473 404 T N -0.586 113.945 114.554 -0.039 0.000 2.918 404 T HA 0.426 4.778 4.350 0.003 0.000 0.283 404 T C 1.336 176.010 174.700 -0.044 0.000 1.001 404 T CA -0.400 61.683 62.100 -0.028 0.000 1.041 404 T CB 1.509 70.361 68.868 -0.027 0.000 1.028 404 T HN 0.761 nan 8.240 nan 0.000 0.511 405 I N 0.273 120.846 120.570 0.004 0.000 2.361 405 I HA -0.169 4.003 4.170 0.003 0.000 0.251 405 I C 2.153 178.180 176.117 -0.151 0.000 1.133 405 I CA 1.540 62.856 61.300 0.028 0.000 1.413 405 I CB -0.841 37.268 38.000 0.182 0.000 1.073 405 I HN 0.718 nan 8.210 nan 0.000 0.424 406 N N 1.463 120.002 118.700 -0.268 0.000 2.519 406 N HA -0.201 4.541 4.740 0.003 0.000 0.186 406 N C 0.596 175.708 175.510 -0.663 0.000 1.062 406 N CA 1.009 53.504 53.050 -0.925 0.000 0.910 406 N CB -0.821 37.419 38.487 -0.412 0.000 0.958 406 N HN 0.511 nan 8.380 nan 0.000 0.445 407 N N 0.371 118.861 118.700 -0.350 0.000 2.320 407 N HA 0.227 4.969 4.740 0.003 0.000 0.237 407 N C -0.699 174.691 175.510 -0.200 0.000 1.129 407 N CA -0.072 52.833 53.050 -0.242 0.000 0.854 407 N CB 0.647 39.044 38.487 -0.149 0.000 1.083 407 N HN 0.284 nan 8.380 nan 0.000 0.504 408 L N 1.429 122.505 121.223 -0.244 0.000 2.265 408 L HA 0.240 4.582 4.340 0.003 0.000 0.289 408 L C 0.966 177.735 176.870 -0.168 0.000 1.033 408 L CA -0.635 54.104 54.840 -0.168 0.000 0.814 408 L CB 1.028 43.002 42.059 -0.142 0.000 1.203 408 L HN 0.071 nan 8.230 nan 0.000 0.423 409 T N -0.205 114.277 114.554 -0.119 0.000 2.906 409 T HA -0.041 4.311 4.350 0.003 0.000 0.320 409 T C 1.006 175.655 174.700 -0.084 0.000 1.088 409 T CA -0.550 61.494 62.100 -0.093 0.000 1.120 409 T CB 0.838 69.669 68.868 -0.062 0.000 1.000 409 T HN 0.481 nan 8.240 nan 0.000 0.550 410 L N 1.546 122.736 121.223 -0.055 0.000 2.549 410 L HA 0.133 4.474 4.340 0.003 0.000 0.230 410 L C 2.484 179.350 176.870 -0.007 0.000 1.162 410 L CA 2.166 56.993 54.840 -0.022 0.000 0.834 410 L CB -1.474 40.594 42.059 0.016 0.000 0.947 410 L HN 1.023 nan 8.230 nan 0.000 0.452 411 E N -1.223 118.965 120.200 -0.020 0.000 2.190 411 E HA -0.102 4.250 4.350 0.003 0.000 0.191 411 E C 1.756 178.347 176.600 -0.016 0.000 0.978 411 E CA 0.992 57.388 56.400 -0.007 0.000 0.839 411 E CB -0.548 29.146 29.700 -0.009 0.000 0.787 411 E HN 0.607 nan 8.360 nan 0.000 0.473 412 D N 0.602 120.976 120.400 -0.043 0.000 2.123 412 D HA -0.048 4.594 4.640 0.003 0.000 0.200 412 D C 2.171 178.429 176.300 -0.070 0.000 0.976 412 D CA 0.980 54.949 54.000 -0.051 0.000 0.831 412 D CB -0.028 40.733 40.800 -0.066 0.000 0.974 412 D HN 0.387 nan 8.370 nan 0.000 0.469 413 L N 0.539 121.678 121.223 -0.139 0.000 2.093 413 L HA -0.131 4.211 4.340 0.003 0.000 0.208 413 L C 2.401 179.261 176.870 -0.017 0.000 1.085 413 L CA 0.743 55.411 54.840 -0.286 0.000 0.755 413 L CB -0.349 41.315 42.059 -0.658 0.000 0.904 413 L HN -0.071 nan 8.230 nan 0.000 0.435 414 K N 0.884 121.319 120.400 0.059 0.000 2.152 414 K HA -0.171 4.151 4.320 0.003 0.000 0.206 414 K C 2.234 178.906 176.600 0.121 0.000 1.048 414 K CA 1.709 58.082 56.287 0.144 0.000 0.933 414 K CB -0.304 32.251 32.500 0.092 0.000 0.721 414 K HN 0.384 nan 8.250 nan 0.000 0.447 415 S N -0.723 115.019 115.700 0.071 0.000 2.481 415 S HA -0.016 4.455 4.470 0.003 0.000 0.231 415 S C 1.891 176.538 174.600 0.078 0.000 0.996 415 S CA 0.764 58.999 58.200 0.057 0.000 0.942 415 S CB -0.362 62.854 63.200 0.026 0.000 0.768 415 S HN 0.316 nan 8.310 nan 0.000 0.520 416 I N 0.446 121.088 120.570 0.121 0.000 2.585 416 I HA 0.166 4.337 4.170 0.003 0.000 0.254 416 I C 1.034 177.280 176.117 0.216 0.000 1.129 416 I CA 0.442 61.840 61.300 0.163 0.000 1.455 416 I CB 0.194 38.312 38.000 0.197 0.000 1.111 416 I HN 0.341 nan 8.210 nan 0.000 0.433 417 S N -0.337 115.547 115.700 0.306 0.000 2.560 417 S HA 0.270 4.741 4.470 0.003 0.000 0.283 417 S C -2.266 172.448 174.600 0.190 0.000 1.141 417 S CA -0.919 57.393 58.200 0.187 0.000 0.902 417 S CB 1.654 64.885 63.200 0.052 0.000 1.104 417 S HN -0.153 nan 8.310 nan 0.000 0.454 418 P HA 0.017 nan 4.420 nan 0.000 0.226 418 P C 1.330 178.650 177.300 0.033 0.000 1.153 418 P CA 0.336 63.477 63.100 0.068 0.000 0.777 418 P CB 0.042 31.760 31.700 0.030 0.000 0.794 419 L N -1.558 119.619 121.223 -0.077 0.000 2.456 419 L HA 0.016 4.358 4.340 0.003 0.000 0.224 419 L C 0.968 177.762 176.870 -0.126 0.000 1.148 419 L CA 0.740 55.473 54.840 -0.179 0.000 0.825 419 L CB -1.714 40.143 42.059 -0.337 0.000 0.937 419 L HN -0.093 nan 8.230 nan 0.000 0.450 420 F N 0.863 120.892 119.950 0.132 0.000 2.468 420 F HA 0.314 4.843 4.527 0.003 0.000 0.356 420 F C 1.053 176.966 175.800 0.189 0.000 1.167 420 F CA -0.539 57.609 58.000 0.247 0.000 1.135 420 F CB -0.151 38.958 39.000 0.183 0.000 1.197 420 F HN -0.071 nan 8.300 nan 0.000 0.569 421 A N 2.138 125.207 122.820 0.416 0.000 2.336 421 A HA 0.456 4.777 4.320 0.003 0.000 0.291 421 A C 1.390 179.099 177.584 0.208 0.000 1.266 421 A CA 0.226 52.418 52.037 0.258 0.000 0.891 421 A CB 0.011 19.145 19.000 0.223 0.000 1.366 421 A HN 0.639 nan 8.150 nan 0.000 0.507 422 S N -0.285 115.496 115.700 0.135 0.000 2.387 422 S HA -0.150 4.322 4.470 0.003 0.000 0.226 422 S C 1.026 175.669 174.600 0.072 0.000 1.026 422 S CA 1.484 59.736 58.200 0.088 0.000 0.972 422 S CB -0.739 62.499 63.200 0.062 0.000 0.814 422 S HN 0.783 nan 8.310 nan 0.000 0.477 423 D N 1.676 122.128 120.400 0.087 0.000 2.403 423 D HA -0.022 4.620 4.640 0.003 0.000 0.227 423 D C 1.538 177.807 176.300 -0.051 0.000 0.995 423 D CA 0.473 54.505 54.000 0.053 0.000 0.928 423 D CB -0.675 40.184 40.800 0.099 0.000 0.887 423 D HN 0.368 nan 8.370 nan 0.000 0.529 424 V N 0.889 120.741 119.914 -0.102 0.000 2.867 424 V HA -0.231 3.891 4.120 0.003 0.000 0.260 424 V C 2.148 178.198 176.094 -0.074 0.000 1.099 424 V CA 2.095 64.176 62.300 -0.366 0.000 1.122 424 V CB -0.734 31.021 31.823 -0.113 0.000 0.708 424 V HN 0.461 nan 8.190 nan 0.000 0.490 425 S N -0.955 114.787 115.700 0.069 0.000 2.447 425 S HA -0.235 4.237 4.470 0.003 0.000 0.233 425 S C 1.751 176.460 174.600 0.181 0.000 1.006 425 S CA 1.340 59.665 58.200 0.210 0.000 0.957 425 S CB -0.429 62.818 63.200 0.079 0.000 0.773 425 S HN 0.774 nan 8.310 nan 0.000 0.507 426 Q N 0.671 120.490 119.800 0.032 0.000 2.224 426 Q HA -0.004 4.338 4.340 0.003 0.000 0.203 426 Q C 2.186 178.156 176.000 -0.049 0.000 0.970 426 Q CA 1.292 57.096 55.803 0.003 0.000 0.865 426 Q CB -0.497 28.231 28.738 -0.016 0.000 0.922 426 Q HN 0.515 nan 8.270 nan 0.000 0.445 427 V N 0.482 120.288 119.914 -0.180 0.000 2.332 427 V HA -0.219 3.903 4.120 0.003 0.000 0.248 427 V C 0.960 176.843 176.094 -0.353 0.000 1.055 427 V CA 1.395 63.484 62.300 -0.351 0.000 1.038 427 V CB -0.491 30.948 31.823 -0.640 0.000 0.651 427 V HN 0.270 nan 8.190 nan 0.000 0.450 428 F N 1.249 121.165 119.950 -0.058 0.000 2.651 428 F HA 0.390 4.919 4.527 0.003 0.000 0.369 428 F C 0.676 176.458 175.800 -0.030 0.000 1.187 428 F CA 0.464 58.440 58.000 -0.041 0.000 1.335 428 F CB -0.316 38.654 39.000 -0.049 0.000 1.707 428 F HN 0.013 nan 8.300 nan 0.000 0.637 429 S N 0.189 115.925 115.700 0.061 0.000 2.689 429 S HA 0.310 4.781 4.470 0.003 0.000 0.274 429 S C 0.738 175.352 174.600 0.023 0.000 1.176 429 S CA -0.713 57.515 58.200 0.046 0.000 1.014 429 S CB 0.854 64.075 63.200 0.035 0.000 1.071 429 S HN 0.251 nan 8.310 nan 0.000 0.478 430 V N 4.181 124.110 119.914 0.025 0.000 2.469 430 V HA -0.053 4.069 4.120 0.003 0.000 0.251 430 V C 1.734 177.844 176.094 0.027 0.000 1.064 430 V CA 2.034 64.346 62.300 0.019 0.000 1.066 430 V CB -1.239 30.588 31.823 0.007 0.000 0.667 430 V HN 0.675 nan 8.190 nan 0.000 0.461 431 V N 1.180 121.108 119.914 0.024 0.000 2.453 431 V HA -0.129 3.993 4.120 0.003 0.000 0.247 431 V C 2.625 178.738 176.094 0.031 0.000 1.048 431 V CA 2.173 64.490 62.300 0.029 0.000 1.049 431 V CB -1.067 30.770 31.823 0.022 0.000 0.672 431 V HN 0.559 nan 8.190 nan 0.000 0.457 432 N N -0.023 118.689 118.700 0.019 0.000 2.188 432 N HA -0.125 4.617 4.740 0.003 0.000 0.184 432 N C 2.160 177.676 175.510 0.010 0.000 1.018 432 N CA 1.605 54.660 53.050 0.007 0.000 0.858 432 N CB -0.266 38.215 38.487 -0.009 0.000 0.989 432 N HN 0.430 nan 8.380 nan 0.000 0.426 433 S N 0.938 116.653 115.700 0.025 0.000 2.351 433 S HA -0.120 4.352 4.470 0.003 0.000 0.220 433 S C 2.169 176.868 174.600 0.165 0.000 1.035 433 S CA 1.944 60.181 58.200 0.063 0.000 1.031 433 S CB -0.441 62.797 63.200 0.062 0.000 0.928 433 S HN 0.214 nan 8.310 nan 0.000 0.433 434 V N -0.023 119.988 119.914 0.162 0.000 2.759 434 V HA 0.052 4.174 4.120 0.003 0.000 0.256 434 V C 1.943 178.171 176.094 0.225 0.000 1.080 434 V CA 1.656 64.093 62.300 0.228 0.000 1.101 434 V CB -0.856 31.038 31.823 0.118 0.000 0.698 434 V HN 0.306 nan 8.190 nan 0.000 0.477 435 E N 0.596 120.862 120.200 0.110 0.000 2.482 435 E HA -0.065 4.286 4.350 0.003 0.000 0.196 435 E C 2.203 178.806 176.600 0.004 0.000 1.047 435 E CA 0.638 57.075 56.400 0.062 0.000 0.869 435 E CB -0.068 29.651 29.700 0.031 0.000 0.836 435 E HN 0.790 nan 8.360 nan 0.000 0.520 436 Q N -0.464 119.287 119.800 -0.083 0.000 2.167 436 Q HA -0.103 4.239 4.340 0.003 0.000 0.202 436 Q C 0.143 175.924 176.000 -0.365 0.000 0.970 436 Q CA 0.766 56.389 55.803 -0.299 0.000 0.855 436 Q CB -0.089 28.314 28.738 -0.558 0.000 0.911 436 Q HN 0.356 nan 8.270 nan 0.000 0.438 437 Y N 0.993 121.298 120.300 0.007 0.000 2.667 437 Y HA 0.061 4.613 4.550 0.003 0.000 0.340 437 Y C 1.325 177.229 175.900 0.007 0.000 1.303 437 Y CA 0.105 58.210 58.100 0.008 0.000 1.769 437 Y CB -0.345 38.121 38.460 0.010 0.000 1.804 437 Y HN 0.075 nan 8.280 nan 0.000 0.451 438 T N -2.627 111.965 114.554 0.064 0.000 3.065 438 T HA 0.327 4.679 4.350 0.003 0.000 0.252 438 T C 1.078 175.805 174.700 0.044 0.000 1.099 438 T CA 0.081 62.210 62.100 0.048 0.000 1.063 438 T CB 0.023 68.901 68.868 0.016 0.000 0.948 438 T HN 0.428 nan 8.240 nan 0.000 0.506 439 A N 1.984 124.833 122.820 0.049 0.000 2.445 439 A HA 0.503 4.825 4.320 0.003 0.000 0.242 439 A C 0.590 178.201 177.584 0.045 0.000 1.075 439 A CA -0.557 51.504 52.037 0.040 0.000 0.777 439 A CB -0.107 18.918 19.000 0.041 0.000 1.013 439 A HN 0.388 nan 8.150 nan 0.000 0.493 440 V N 2.314 122.246 119.914 0.029 0.000 2.703 440 V HA 0.221 4.343 4.120 0.003 0.000 0.300 440 V C 1.692 177.800 176.094 0.024 0.000 1.063 440 V CA 2.020 64.333 62.300 0.022 0.000 1.240 440 V CB -0.891 30.940 31.823 0.013 0.000 0.845 440 V HN 2.064 nan 8.190 nan 0.000 0.476 441 G N 3.268 112.081 108.800 0.020 0.000 2.194 441 G HA2 -0.127 3.835 3.960 0.003 0.000 0.236 441 G HA3 -0.127 3.835 3.960 0.003 0.000 0.236 441 G C 0.562 175.473 174.900 0.019 0.000 0.987 441 G CA 0.038 45.145 45.100 0.011 0.000 0.635 441 G HN 1.386 nan 8.290 nan 0.000 0.520 442 G N -0.883 107.949 108.800 0.053 0.000 2.653 442 G HA2 0.438 4.400 3.960 0.003 0.000 0.265 442 G HA3 0.438 4.400 3.960 0.003 0.000 0.265 442 G C 0.961 175.893 174.900 0.054 0.000 1.237 442 G CA 1.019 46.169 45.100 0.083 0.000 0.946 442 G HN 0.769 nan 8.290 nan 0.000 0.522 443 T N -0.586 113.994 114.554 0.043 0.000 3.169 443 T HA 0.430 4.782 4.350 0.003 0.000 0.250 443 T C 1.191 175.943 174.700 0.086 0.000 1.111 443 T CA 0.541 62.658 62.100 0.028 0.000 1.010 443 T CB -0.897 67.943 68.868 -0.047 0.000 0.984 443 T HN 0.802 nan 8.240 nan 0.000 0.537 444 A N 0.970 123.866 122.820 0.126 0.000 2.425 444 A HA 0.339 4.661 4.320 0.003 0.000 0.242 444 A C 1.519 179.142 177.584 0.065 0.000 1.077 444 A CA -0.236 51.864 52.037 0.105 0.000 0.781 444 A CB 0.184 19.242 19.000 0.096 0.000 1.020 444 A HN 0.514 nan 8.150 nan 0.000 0.494 445 K N 0.787 121.220 120.400 0.055 0.000 2.160 445 K HA -0.197 4.125 4.320 0.003 0.000 0.206 445 K C 2.144 178.765 176.600 0.034 0.000 1.047 445 K CA 2.068 58.380 56.287 0.042 0.000 0.930 445 K CB -0.132 32.390 32.500 0.038 0.000 0.720 445 K HN 0.893 nan 8.250 nan 0.000 0.450 446 S N -0.674 115.046 115.700 0.033 0.000 2.387 446 S HA -0.066 4.406 4.470 0.003 0.000 0.226 446 S C 2.035 176.649 174.600 0.024 0.000 1.026 446 S CA 1.362 59.578 58.200 0.026 0.000 0.972 446 S CB -0.074 63.141 63.200 0.023 0.000 0.814 446 S HN 0.170 nan 8.310 nan 0.000 0.477 447 S N 1.504 117.223 115.700 0.032 0.000 2.371 447 S HA 0.020 4.492 4.470 0.003 0.000 0.224 447 S C 1.996 176.606 174.600 0.017 0.000 1.029 447 S CA 1.114 59.331 58.200 0.027 0.000 0.978 447 S CB -0.595 62.629 63.200 0.040 0.000 0.833 447 S HN 0.410 nan 8.310 nan 0.000 0.466 448 V N 1.901 121.827 119.914 0.020 0.000 2.332 448 V HA -0.209 3.912 4.120 0.003 0.000 0.248 448 V C 2.524 178.621 176.094 0.006 0.000 1.055 448 V CA 2.140 64.446 62.300 0.010 0.000 1.038 448 V CB -1.345 30.488 31.823 0.017 0.000 0.651 448 V HN 0.502 nan 8.190 nan 0.000 0.450 449 T N 0.234 114.795 114.554 0.012 0.000 2.788 449 T HA -0.156 4.196 4.350 0.003 0.000 0.268 449 T C 2.012 176.715 174.700 0.005 0.000 1.044 449 T CA 1.616 63.721 62.100 0.010 0.000 1.139 449 T CB -0.380 68.496 68.868 0.013 0.000 0.867 449 T HN 0.588 nan 8.240 nan 0.000 0.454 450 A N 1.109 123.932 122.820 0.005 0.000 1.930 450 A HA -0.108 4.214 4.320 0.003 0.000 0.217 450 A C 2.267 179.849 177.584 -0.003 0.000 1.175 450 A CA 1.262 53.301 52.037 0.002 0.000 0.627 450 A CB -0.515 18.487 19.000 0.005 0.000 0.815 450 A HN 0.527 nan 8.150 nan 0.000 0.443 451 Q N -0.394 119.402 119.800 -0.006 0.000 2.050 451 Q HA -0.107 4.235 4.340 0.003 0.000 0.202 451 Q C 2.012 178.001 176.000 -0.018 0.000 0.980 451 Q CA 1.581 57.375 55.803 -0.016 0.000 0.840 451 Q CB -0.338 28.387 28.738 -0.022 0.000 0.898 451 Q HN 0.731 nan 8.270 nan 0.000 0.424 452 I N 0.930 121.491 120.570 -0.015 0.000 2.264 452 I HA -0.267 3.904 4.170 0.003 0.000 0.248 452 I C 2.135 178.245 176.117 -0.011 0.000 1.111 452 I CA 0.913 62.204 61.300 -0.015 0.000 1.382 452 I CB -0.267 37.728 38.000 -0.009 0.000 1.060 452 I HN 0.195 nan 8.210 nan 0.000 0.418 453 E N 0.698 120.894 120.200 -0.007 0.000 2.047 453 E HA -0.218 4.134 4.350 0.003 0.000 0.191 453 E C 2.161 178.757 176.600 -0.007 0.000 0.987 453 E CA 1.187 57.584 56.400 -0.005 0.000 0.799 453 E CB -0.351 29.348 29.700 -0.002 0.000 0.752 453 E HN 0.590 nan 8.360 nan 0.000 0.449 454 Q N 0.224 120.019 119.800 -0.009 0.000 2.124 454 Q HA -0.045 4.296 4.340 0.003 0.000 0.202 454 Q C 2.436 178.428 176.000 -0.013 0.000 0.977 454 Q CA 0.797 56.594 55.803 -0.010 0.000 0.850 454 Q CB -0.063 28.669 28.738 -0.011 0.000 0.901 454 Q HN 0.245 nan 8.270 nan 0.000 0.429 455 L N -0.112 121.101 121.223 -0.017 0.000 2.056 455 L HA -0.157 4.185 4.340 0.003 0.000 0.207 455 L C 2.440 179.300 176.870 -0.016 0.000 1.078 455 L CA 1.045 55.873 54.840 -0.021 0.000 0.749 455 L CB -0.307 41.734 42.059 -0.029 0.000 0.901 455 L HN 0.151 nan 8.230 nan 0.000 0.433 456 R N -0.051 120.441 120.500 -0.013 0.000 2.105 456 R HA -0.227 4.115 4.340 0.003 0.000 0.239 456 R C 2.245 178.540 176.300 -0.008 0.000 1.135 456 R CA 1.611 57.706 56.100 -0.009 0.000 0.967 456 R CB -0.168 30.128 30.300 -0.006 0.000 0.861 456 R HN 0.214 nan 8.270 nan 0.000 0.442 457 E N 0.852 121.047 120.200 -0.007 0.000 2.106 457 E HA -0.110 4.242 4.350 0.003 0.000 0.192 457 E C 1.767 178.363 176.600 -0.007 0.000 0.984 457 E CA 1.082 57.479 56.400 -0.006 0.000 0.806 457 E CB -0.127 29.569 29.700 -0.005 0.000 0.750 457 E HN 0.254 nan 8.360 nan 0.000 0.458 458 L N -0.030 121.188 121.223 -0.009 0.000 2.027 458 L HA -0.152 4.189 4.340 0.003 0.000 0.206 458 L C 2.535 179.400 176.870 -0.008 0.000 1.074 458 L CA 0.999 55.833 54.840 -0.009 0.000 0.745 458 L CB -0.484 41.568 42.059 -0.012 0.000 0.898 458 L HN 0.235 nan 8.230 nan 0.000 0.433 459 L N 0.021 121.238 121.223 -0.009 0.000 2.012 459 L HA -0.283 4.059 4.340 0.003 0.000 0.210 459 L C 2.737 179.602 176.870 -0.007 0.000 1.073 459 L CA 1.551 56.386 54.840 -0.009 0.000 0.748 459 L CB -0.583 41.471 42.059 -0.010 0.000 0.891 459 L HN 0.313 nan 8.230 nan 0.000 0.431 460 K N 1.000 121.396 120.400 -0.007 0.000 2.103 460 K HA -0.203 4.119 4.320 0.003 0.000 0.207 460 K C 1.799 178.396 176.600 -0.005 0.000 1.048 460 K CA 1.456 57.740 56.287 -0.006 0.000 0.930 460 K CB 0.036 32.533 32.500 -0.005 0.000 0.716 460 K HN 0.235 nan 8.250 nan 0.000 0.444 461 K N 0.574 120.971 120.400 -0.005 0.000 2.555 461 K HA -0.026 4.296 4.320 0.003 0.000 0.193 461 K C 0.207 176.804 176.600 -0.004 0.000 1.032 461 K CA 0.320 56.605 56.287 -0.004 0.000 1.004 461 K CB 0.279 32.776 32.500 -0.004 0.000 0.804 461 K HN 0.168 nan 8.250 nan 0.000 0.496 462 Q N 1.941 121.738 119.800 -0.005 0.000 3.041 462 Q HA 0.083 4.425 4.340 0.003 0.000 0.372 462 Q C -0.440 175.556 176.000 -0.007 0.000 1.241 462 Q CA 0.186 55.986 55.803 -0.005 0.000 1.010 462 Q CB 0.048 28.782 28.738 -0.005 0.000 1.467 462 Q HN 0.370 nan 8.270 nan 0.000 0.462 463 K N 0.000 120.397 120.400 -0.006 0.000 2.780 463 K HA 0.000 4.322 4.320 0.003 0.000 0.191 463 K CA 0.000 56.283 56.287 -0.007 0.000 0.838 463 K CB 0.000 32.496 32.500 -0.007 0.000 1.064 463 K HN 0.000 nan 8.250 nan 0.000 0.543