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 3ey9_1_A DATA FIRST_RESID 2 DATA SEQUENCE KQTVAAYIAK TLESAGVKRI WGVTGDSLNG LSDSLNRMGT IEWMSTRHEE DATA SEQUENCE VAAFAAGAEA QLSGELAVCA GSCGPGNLHL INGLFDCHRN HVPVLAIAAH DATA SEQUENCE IPSSEIGSGY FQETHPQELF RECSHYCELV SSPEQIPQVL AIAMRKAVLN DATA SEQUENCE RGVSVVVLPG DVALKPAPEG ATMHWYHAPQ PVVTPEEEEL RKLAQLLRYS DATA SEQUENCE SNIALMCGSG CAGAHKELVE FAGKIKAPIV HALRGKEHVE YDNPYDVGMT DATA SEQUENCE GLIGFSSGFH TMMNADTLVL LGTQFPYRAF YPTDAKIIQI DINPASIGAH DATA SEQUENCE SKVDMALVGD IKSTLRALLP LVEEKADRKF LDKALEDYRD ARKGLDDLAK DATA SEQUENCE PSEKAIHPQY LAQQISHFAA DDAIFTCDVG TPTVWAARYL KMNGKRRLLG DATA SEQUENCE SFNHGSMANA MPQALGAQAT EPERQVVAMC GDGGFSMLMG DFLSVVQMKL DATA SEQUENCE PVKIVVFNNS VLGFVAMEMK AGGYLTDGTE LHDTNFARIA EACGITGIRV DATA SEQUENCE EKASEVDEAL QRAFSIDGPV LVDVVVAKEE LAIPPQIKLE QAKGFSLYML DATA SEQUENCE RAIISGRGDE VIELAKTNWL R 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 2 K HA 0.000 nan 4.320 nan 0.000 0.191 2 K C 0.000 176.623 176.600 0.038 0.000 0.988 2 K CA 0.000 56.308 56.287 0.035 0.000 0.838 2 K CB 0.000 32.515 32.500 0.025 0.000 1.064 3 Q N -0.450 119.378 119.800 0.047 0.000 2.737 3 Q HA 0.424 4.765 4.340 0.001 0.000 0.307 3 Q C -0.852 175.179 176.000 0.052 0.000 0.905 3 Q CA -1.143 54.692 55.803 0.052 0.000 0.753 3 Q CB 1.004 29.787 28.738 0.077 0.000 1.463 3 Q HN 0.291 nan 8.270 nan 0.000 0.455 4 T N -1.882 112.702 114.554 0.051 0.000 2.813 4 T HA 0.214 4.565 4.350 0.001 0.000 0.297 4 T C 1.350 176.099 174.700 0.081 0.000 1.036 4 T CA -0.260 61.869 62.100 0.048 0.000 1.044 4 T CB 0.813 69.703 68.868 0.036 0.000 0.993 4 T HN 0.420 nan 8.240 nan 0.000 0.535 5 V N 1.958 121.910 119.914 0.062 0.000 2.287 5 V HA -0.186 3.934 4.120 0.001 0.000 0.248 5 V C 3.089 179.264 176.094 0.135 0.000 1.053 5 V CA 2.384 64.735 62.300 0.086 0.000 1.027 5 V CB -1.733 30.115 31.823 0.042 0.000 0.646 5 V HN 1.104 nan 8.190 nan 0.000 0.447 6 A N 0.139 123.010 122.820 0.086 0.000 1.873 6 A HA -0.224 4.097 4.320 0.001 0.000 0.218 6 A C 2.468 180.097 177.584 0.075 0.000 1.193 6 A CA 2.590 54.671 52.037 0.072 0.000 0.629 6 A CB -1.036 17.987 19.000 0.039 0.000 0.826 6 A HN 0.621 nan 8.150 nan 0.000 0.447 7 A N -1.538 121.324 122.820 0.071 0.000 1.908 7 A HA -0.179 4.142 4.320 0.001 0.000 0.218 7 A C 2.155 179.783 177.584 0.073 0.000 1.181 7 A CA 1.886 53.958 52.037 0.058 0.000 0.627 7 A CB -0.958 18.076 19.000 0.056 0.000 0.818 7 A HN 0.835 nan 8.150 nan 0.000 0.445 8 Y N 0.599 120.908 120.300 0.015 0.000 2.114 8 Y HA -0.262 4.288 4.550 0.001 0.000 0.282 8 Y C 2.023 177.933 175.900 0.017 0.000 1.165 8 Y CA 1.992 60.104 58.100 0.021 0.000 1.148 8 Y CB -0.330 38.144 38.460 0.024 0.000 0.972 8 Y HN 0.299 nan 8.280 nan 0.000 0.504 9 I N 0.262 120.891 120.570 0.097 0.000 2.099 9 I HA -0.401 3.769 4.170 0.001 0.000 0.239 9 I C 2.767 178.827 176.117 -0.096 0.000 1.066 9 I CA 1.503 62.801 61.300 -0.004 0.000 1.324 9 I CB -1.045 37.001 38.000 0.076 0.000 1.037 9 I HN 0.367 nan 8.210 nan 0.000 0.401 10 A N 0.559 123.355 122.820 -0.040 0.000 1.892 10 A HA -0.321 4.000 4.320 0.001 0.000 0.218 10 A C 2.280 179.814 177.584 -0.082 0.000 1.188 10 A CA 2.430 54.440 52.037 -0.044 0.000 0.631 10 A CB -0.600 18.393 19.000 -0.010 0.000 0.822 10 A HN 0.288 nan 8.150 nan 0.000 0.447 11 K N -0.760 119.578 120.400 -0.103 0.000 2.057 11 K HA -0.071 4.249 4.320 0.001 0.000 0.207 11 K C 2.066 178.571 176.600 -0.159 0.000 1.049 11 K CA 2.078 58.300 56.287 -0.109 0.000 0.931 11 K CB -0.779 31.665 32.500 -0.093 0.000 0.714 11 K HN 0.457 nan 8.250 nan 0.000 0.440 12 T N 1.330 115.715 114.554 -0.281 0.000 2.684 12 T HA -0.120 4.231 4.350 0.001 0.000 0.267 12 T C 1.703 176.267 174.700 -0.226 0.000 1.036 12 T CA 1.535 63.468 62.100 -0.277 0.000 1.148 12 T CB -0.252 68.372 68.868 -0.407 0.000 0.863 12 T HN 0.114 nan 8.240 nan 0.000 0.436 13 L N 0.812 121.903 121.223 -0.220 0.000 2.012 13 L HA -0.177 4.163 4.340 0.001 0.000 0.210 13 L C 2.849 179.618 176.870 -0.168 0.000 1.073 13 L CA 1.828 56.536 54.840 -0.220 0.000 0.748 13 L CB -0.604 41.365 42.059 -0.150 0.000 0.891 13 L HN 0.425 nan 8.230 nan 0.000 0.431 14 E N -0.233 119.903 120.200 -0.107 0.000 2.085 14 E HA -0.287 4.064 4.350 0.001 0.000 0.194 14 E C 2.288 178.865 176.600 -0.037 0.000 0.994 14 E CA 1.631 57.996 56.400 -0.059 0.000 0.801 14 E CB -0.082 29.596 29.700 -0.035 0.000 0.743 14 E HN 0.329 nan 8.360 nan 0.000 0.453 15 S N -0.226 115.450 115.700 -0.041 0.000 2.383 15 S HA -0.133 4.338 4.470 0.001 0.000 0.229 15 S C 1.981 176.583 174.600 0.004 0.000 1.030 15 S CA 1.279 59.486 58.200 0.012 0.000 1.002 15 S CB -0.350 62.860 63.200 0.016 0.000 0.829 15 S HN 0.461 nan 8.310 nan 0.000 0.467 16 A N -0.298 122.413 122.820 -0.182 0.000 2.168 16 A HA 0.432 4.753 4.320 0.001 0.000 0.215 16 A C 1.755 179.307 177.584 -0.052 0.000 1.152 16 A CA 1.114 52.900 52.037 -0.420 0.000 0.716 16 A CB -1.065 17.344 19.000 -0.985 0.000 0.794 16 A HN 1.474 nan 8.150 nan 0.000 0.465 17 G N -1.166 107.632 108.800 -0.004 0.000 2.159 17 G HA2 -0.110 3.850 3.960 0.001 0.000 0.227 17 G HA3 -0.110 3.850 3.960 0.001 0.000 0.227 17 G C 0.433 175.328 174.900 -0.009 0.000 0.986 17 G CA 0.407 45.533 45.100 0.044 0.000 0.651 17 G HN 1.785 nan 8.290 nan 0.000 0.523 18 V N -1.317 118.561 119.914 -0.059 0.000 2.788 18 V HA 0.538 4.659 4.120 0.001 0.000 0.307 18 V C 1.209 177.282 176.094 -0.035 0.000 1.069 18 V CA 1.244 63.514 62.300 -0.050 0.000 1.173 18 V CB 1.147 32.927 31.823 -0.072 0.000 0.925 18 V HN 0.325 nan 8.190 nan 0.000 0.492 19 K N 3.798 124.181 120.400 -0.028 0.000 2.348 19 K HA 0.275 4.596 4.320 0.001 0.000 0.194 19 K C 0.598 177.152 176.600 -0.076 0.000 1.052 19 K CA 0.351 56.615 56.287 -0.039 0.000 1.004 19 K CB 0.329 32.813 32.500 -0.027 0.000 0.873 19 K HN 0.929 nan 8.250 nan 0.000 0.523 20 R N 0.086 120.524 120.500 -0.103 0.000 2.710 20 R HA 0.487 4.828 4.340 0.001 0.000 0.270 20 R C -1.473 174.699 176.300 -0.213 0.000 1.021 20 R CA -0.774 55.198 56.100 -0.214 0.000 0.889 20 R CB 1.016 31.070 30.300 -0.410 0.000 1.243 20 R HN -0.139 nan 8.270 nan 0.000 0.464 21 I N 1.321 121.722 120.570 -0.281 0.000 2.447 21 I HA 0.368 4.538 4.170 0.001 0.000 0.287 21 I C -1.195 174.606 176.117 -0.527 0.000 1.023 21 I CA -0.642 60.528 61.300 -0.218 0.000 1.083 21 I CB 1.594 39.583 38.000 -0.018 0.000 1.245 21 I HN 0.487 nan 8.210 nan 0.000 0.434 22 W N 5.416 126.482 121.300 -0.389 0.000 2.351 22 W HA 0.729 5.390 4.660 0.001 0.000 0.311 22 W C 0.693 176.865 176.519 -0.578 0.000 1.168 22 W CA 0.043 57.100 57.345 -0.480 0.000 1.200 22 W CB 1.464 30.776 29.460 -0.248 0.000 1.221 22 W HN 0.642 nan 8.180 nan 0.000 0.519 23 G N -0.011 108.461 108.800 -0.547 0.000 2.356 23 G HA2 0.461 4.422 3.960 0.001 0.000 0.281 23 G HA3 0.461 4.422 3.960 0.001 0.000 0.281 23 G C -2.149 172.726 174.900 -0.041 0.000 1.246 23 G CA -0.777 44.151 45.100 -0.286 0.000 0.889 23 G HN 0.376 nan 8.290 nan 0.000 0.486 24 V N 0.872 120.988 119.914 0.337 0.000 2.711 24 V HA 0.546 4.666 4.120 0.001 0.000 0.304 24 V C 0.290 176.669 176.094 0.475 0.000 1.097 24 V CA -0.493 62.068 62.300 0.435 0.000 0.906 24 V CB 1.578 33.541 31.823 0.232 0.000 1.015 24 V HN 1.099 nan 8.190 nan 0.000 0.427 25 T N 2.402 117.189 114.554 0.388 0.000 2.802 25 T HA 0.618 4.969 4.350 0.001 0.000 0.305 25 T C 0.449 175.198 174.700 0.082 0.000 1.053 25 T CA 0.270 62.432 62.100 0.103 0.000 1.058 25 T CB 1.249 70.073 68.868 -0.073 0.000 0.988 25 T HN 1.201 nan 8.240 nan 0.000 0.539 26 G N -0.904 107.911 108.800 0.025 0.000 2.649 26 G HA2 0.362 4.322 3.960 0.001 0.000 0.290 26 G HA3 0.362 4.322 3.960 0.001 0.000 0.290 26 G C 0.073 174.978 174.900 0.010 0.000 1.426 26 G CA -0.507 44.615 45.100 0.036 0.000 0.794 26 G HN 0.613 nan 8.290 nan 0.000 0.483 27 D N -0.258 120.160 120.400 0.029 0.000 2.219 27 D HA -0.134 4.507 4.640 0.001 0.000 0.205 27 D C 2.278 178.591 176.300 0.023 0.000 0.970 27 D CA 1.611 55.623 54.000 0.019 0.000 0.851 27 D CB 0.159 40.981 40.800 0.038 0.000 0.943 27 D HN 0.314 nan 8.370 nan 0.000 0.488 28 S N -0.269 115.458 115.700 0.044 0.000 2.547 28 S HA -0.022 4.448 4.470 0.001 0.000 0.235 28 S C 1.772 176.393 174.600 0.035 0.000 0.980 28 S CA 0.203 58.433 58.200 0.049 0.000 0.941 28 S CB 0.028 63.272 63.200 0.073 0.000 0.763 28 S HN 0.293 nan 8.310 nan 0.000 0.532 29 L N 0.578 121.807 121.223 0.010 0.000 2.959 29 L HA 0.319 4.660 4.340 0.001 0.000 0.259 29 L C 1.146 177.976 176.870 -0.067 0.000 1.185 29 L CA -0.219 54.611 54.840 -0.017 0.000 0.998 29 L CB -0.035 42.008 42.059 -0.026 0.000 1.337 29 L HN 0.087 nan 8.230 nan 0.000 0.555 30 N N 1.242 119.910 118.700 -0.052 0.000 2.061 30 N HA -0.181 4.560 4.740 0.001 0.000 0.193 30 N C 1.926 177.401 175.510 -0.059 0.000 1.030 30 N CA 1.753 54.763 53.050 -0.066 0.000 0.856 30 N CB -0.516 37.947 38.487 -0.041 0.000 1.023 30 N HN 0.361 nan 8.380 nan 0.000 0.424 31 G N 1.294 110.076 108.800 -0.031 0.000 2.529 31 G HA2 -0.253 3.707 3.960 0.001 0.000 0.219 31 G HA3 -0.253 3.707 3.960 0.001 0.000 0.219 31 G C 1.591 176.475 174.900 -0.026 0.000 1.177 31 G CA 1.023 46.112 45.100 -0.018 0.000 0.773 31 G HN 0.304 nan 8.290 nan 0.000 0.573 32 L N 0.982 122.188 121.223 -0.029 0.000 2.017 32 L HA -0.007 4.334 4.340 0.001 0.000 0.208 32 L C 3.035 179.851 176.870 -0.090 0.000 1.073 32 L CA 2.436 57.258 54.840 -0.030 0.000 0.745 32 L CB -0.719 41.343 42.059 0.004 0.000 0.894 32 L HN 0.208 nan 8.230 nan 0.000 0.432 33 S N 0.006 115.600 115.700 -0.177 0.000 2.377 33 S HA -0.258 4.213 4.470 0.001 0.000 0.224 33 S C 1.605 176.117 174.600 -0.147 0.000 1.042 33 S CA 1.635 59.684 58.200 -0.252 0.000 1.086 33 S CB -0.737 62.287 63.200 -0.294 0.000 0.995 33 S HN 0.558 nan 8.310 nan 0.000 0.428 34 D N 1.320 121.658 120.400 -0.102 0.000 2.126 34 D HA -0.097 4.544 4.640 0.001 0.000 0.190 34 D C 2.259 178.530 176.300 -0.048 0.000 1.001 34 D CA 1.553 55.513 54.000 -0.066 0.000 0.841 34 D CB -0.723 40.050 40.800 -0.045 0.000 0.949 34 D HN 0.323 nan 8.370 nan 0.000 0.446 35 S N 0.266 115.944 115.700 -0.036 0.000 2.356 35 S HA -0.129 4.342 4.470 0.001 0.000 0.223 35 S C 1.928 176.516 174.600 -0.020 0.000 1.032 35 S CA 0.399 58.588 58.200 -0.018 0.000 1.005 35 S CB -0.287 62.911 63.200 -0.003 0.000 0.867 35 S HN 0.105 nan 8.310 nan 0.000 0.449 36 L N 2.445 123.651 121.223 -0.029 0.000 2.042 36 L HA -0.102 4.238 4.340 0.001 0.000 0.210 36 L C 1.823 178.680 176.870 -0.023 0.000 1.076 36 L CA 1.602 56.433 54.840 -0.015 0.000 0.749 36 L CB -1.337 40.717 42.059 -0.008 0.000 0.893 36 L HN 0.349 nan 8.230 nan 0.000 0.432 37 N N -1.169 117.504 118.700 -0.046 0.000 2.106 37 N HA -0.150 4.591 4.740 0.001 0.000 0.188 37 N C 1.749 177.243 175.510 -0.026 0.000 1.029 37 N CA 0.860 53.886 53.050 -0.041 0.000 0.848 37 N CB -0.085 38.366 38.487 -0.060 0.000 1.007 37 N HN 0.299 nan 8.380 nan 0.000 0.423 38 R N 0.530 121.016 120.500 -0.024 0.000 2.159 38 R HA -0.085 4.256 4.340 0.001 0.000 0.237 38 R C 2.118 178.412 176.300 -0.009 0.000 1.131 38 R CA 1.022 57.114 56.100 -0.015 0.000 0.982 38 R CB -0.191 30.102 30.300 -0.012 0.000 0.868 38 R HN 0.367 nan 8.270 nan 0.000 0.453 39 M N -0.543 119.051 119.600 -0.009 0.000 2.287 39 M HA 0.074 4.554 4.480 0.001 0.000 0.266 39 M C 0.985 177.282 176.300 -0.005 0.000 1.079 39 M CA 1.510 56.807 55.300 -0.005 0.000 1.146 39 M CB 0.389 32.986 32.600 -0.005 0.000 1.374 39 M HN 0.349 nan 8.290 nan 0.000 0.435 40 G N 0.181 108.978 108.800 -0.006 0.000 2.187 40 G HA2 -0.272 3.689 3.960 0.001 0.000 0.261 40 G HA3 -0.272 3.689 3.960 0.001 0.000 0.261 40 G C 0.565 175.462 174.900 -0.005 0.000 1.000 40 G CA 0.906 46.002 45.100 -0.005 0.000 0.718 40 G HN 0.494 nan 8.290 nan 0.000 0.519 41 T N -0.517 114.034 114.554 -0.005 0.000 3.056 41 T HA 0.351 4.702 4.350 0.001 0.000 0.241 41 T C 1.179 175.872 174.700 -0.012 0.000 1.006 41 T CA 0.490 62.586 62.100 -0.008 0.000 1.115 41 T CB 0.410 69.274 68.868 -0.006 0.000 0.939 41 T HN 0.317 nan 8.240 nan 0.000 0.462 42 I N 2.202 122.767 120.570 -0.008 0.000 2.365 42 I HA 0.261 4.432 4.170 0.001 0.000 0.291 42 I C 0.219 176.334 176.117 -0.003 0.000 1.004 42 I CA -0.528 60.764 61.300 -0.013 0.000 1.311 42 I CB 1.394 39.392 38.000 -0.004 0.000 1.401 42 I HN 0.124 nan 8.210 nan 0.000 0.491 43 E N 6.704 126.878 120.200 -0.043 0.000 2.259 43 E HA 0.043 4.393 4.350 0.001 0.000 0.281 43 E C -1.162 175.411 176.600 -0.044 0.000 1.027 43 E CA -0.664 55.708 56.400 -0.048 0.000 0.838 43 E CB 1.037 30.670 29.700 -0.113 0.000 1.066 43 E HN 0.550 nan 8.360 nan 0.000 0.401 44 W N 7.873 129.079 121.300 -0.156 0.000 2.387 44 W HA 0.157 4.818 4.660 0.001 0.000 0.310 44 W C -1.174 175.224 176.519 -0.203 0.000 1.181 44 W CA -0.859 56.391 57.345 -0.158 0.000 1.333 44 W CB 0.834 30.242 29.460 -0.087 0.000 1.286 44 W HN 0.460 nan 8.180 nan 0.000 0.455 45 M N 6.313 125.480 119.600 -0.721 0.000 2.435 45 M HA 0.018 4.499 4.480 0.001 0.000 0.344 45 M C 0.524 176.458 176.300 -0.610 0.000 1.329 45 M CA -0.099 54.788 55.300 -0.688 0.000 1.320 45 M CB -0.170 31.684 32.600 -1.243 0.000 1.309 45 M HN 0.352 nan 8.290 nan 0.000 0.451 46 S N 3.186 118.697 115.700 -0.315 0.000 2.510 46 S HA 0.368 4.838 4.470 0.001 0.000 0.279 46 S C 0.529 175.146 174.600 0.028 0.000 1.284 46 S CA -0.286 57.879 58.200 -0.059 0.000 1.059 46 S CB 0.345 63.697 63.200 0.252 0.000 0.901 46 S HN 0.745 nan 8.310 nan 0.000 0.491 47 T N 3.075 117.669 114.554 0.066 0.000 2.889 47 T HA 0.572 4.923 4.350 0.001 0.000 0.278 47 T C 0.948 175.717 174.700 0.116 0.000 0.995 47 T CA -0.974 61.194 62.100 0.114 0.000 0.966 47 T CB 0.848 69.802 68.868 0.143 0.000 1.237 47 T HN 0.530 nan 8.240 nan 0.000 0.591 48 R N -0.573 119.996 120.500 0.115 0.000 2.206 48 R HA 0.239 4.579 4.340 0.001 0.000 0.198 48 R C 0.425 176.802 176.300 0.127 0.000 0.986 48 R CA 0.483 56.649 56.100 0.110 0.000 1.029 48 R CB -0.558 29.798 30.300 0.094 0.000 0.966 48 R HN 0.757 nan 8.270 nan 0.000 0.487 49 H N 0.162 119.251 119.070 0.031 0.000 2.679 49 H HA 0.224 4.780 4.556 0.001 0.000 0.360 49 H C -0.087 175.258 175.328 0.029 0.000 1.105 49 H CA -0.236 55.803 56.048 -0.015 0.000 1.196 49 H CB 1.965 31.662 29.762 -0.109 0.000 1.636 49 H HN -0.183 nan 8.280 nan 0.000 0.531 50 E N 2.338 122.643 120.200 0.175 0.000 2.204 50 E HA -0.156 4.195 4.350 0.001 0.000 0.194 50 E C 1.690 178.442 176.600 0.254 0.000 0.989 50 E CA 1.060 57.591 56.400 0.219 0.000 0.824 50 E CB 0.259 30.089 29.700 0.218 0.000 0.756 50 E HN 0.743 nan 8.360 nan 0.000 0.477 51 E N 0.406 120.861 120.200 0.425 0.000 2.130 51 E HA -0.229 4.122 4.350 0.001 0.000 0.196 51 E C 1.736 178.448 176.600 0.187 0.000 0.998 51 E CA 1.387 57.914 56.400 0.213 0.000 0.806 51 E CB 0.080 29.799 29.700 0.032 0.000 0.738 51 E HN 0.121 nan 8.360 nan 0.000 0.459 52 V N 0.885 120.905 119.914 0.176 0.000 2.453 52 V HA -0.203 3.918 4.120 0.001 0.000 0.247 52 V C 2.411 178.527 176.094 0.038 0.000 1.048 52 V CA 1.496 63.874 62.300 0.131 0.000 1.049 52 V CB -0.591 31.270 31.823 0.064 0.000 0.672 52 V HN 0.470 nan 8.190 nan 0.000 0.457 53 A N 0.285 123.138 122.820 0.055 0.000 1.883 53 A HA -0.197 4.124 4.320 0.001 0.000 0.217 53 A C 2.451 179.955 177.584 -0.134 0.000 1.186 53 A CA 2.335 54.378 52.037 0.010 0.000 0.624 53 A CB -0.860 18.193 19.000 0.089 0.000 0.822 53 A HN 0.564 nan 8.150 nan 0.000 0.444 54 A N -1.124 121.647 122.820 -0.082 0.000 1.865 54 A HA -0.031 4.289 4.320 0.001 0.000 0.217 54 A C 1.961 179.415 177.584 -0.216 0.000 1.191 54 A CA 1.674 53.613 52.037 -0.164 0.000 0.623 54 A CB -0.878 18.016 19.000 -0.177 0.000 0.826 54 A HN 0.441 nan 8.150 nan 0.000 0.444 55 F N 0.274 120.116 119.950 -0.180 0.000 2.063 55 F HA -0.244 4.284 4.527 0.001 0.000 0.298 55 F C 2.859 178.465 175.800 -0.324 0.000 1.109 55 F CA 1.317 59.196 58.000 -0.203 0.000 1.212 55 F CB -0.830 38.070 39.000 -0.168 0.000 0.973 55 F HN 0.275 nan 8.300 nan 0.000 0.480 56 A N -0.165 122.471 122.820 -0.306 0.000 1.865 56 A HA -0.132 4.189 4.320 0.001 0.000 0.217 56 A C 2.446 179.541 177.584 -0.815 0.000 1.191 56 A CA 2.208 53.796 52.037 -0.748 0.000 0.623 56 A CB -1.520 16.591 19.000 -1.483 0.000 0.826 56 A HN 0.360 nan 8.150 nan 0.000 0.444 57 A N -0.546 121.741 122.820 -0.888 0.000 1.927 57 A HA -0.028 4.292 4.320 0.001 0.000 0.220 57 A C 2.478 179.936 177.584 -0.210 0.000 1.185 57 A CA 2.395 54.160 52.037 -0.454 0.000 0.639 57 A CB -1.606 17.264 19.000 -0.216 0.000 0.820 57 A HN 0.886 nan 8.150 nan 0.000 0.451 58 G N -0.716 107.969 108.800 -0.191 0.000 2.459 58 G HA2 -0.056 3.905 3.960 0.001 0.000 0.217 58 G HA3 -0.056 3.905 3.960 0.001 0.000 0.217 58 G C 1.798 176.656 174.900 -0.070 0.000 1.183 58 G CA 1.765 46.803 45.100 -0.103 0.000 0.776 58 G HN 0.923 nan 8.290 nan 0.000 0.552 59 A N 0.628 123.391 122.820 -0.096 0.000 1.902 59 A HA -0.052 4.269 4.320 0.001 0.000 0.217 59 A C 2.177 179.738 177.584 -0.037 0.000 1.181 59 A CA 2.093 54.093 52.037 -0.062 0.000 0.623 59 A CB -0.540 18.405 19.000 -0.091 0.000 0.818 59 A HN 0.523 nan 8.150 nan 0.000 0.443 60 E N -0.024 120.141 120.200 -0.059 0.000 2.058 60 E HA -0.177 4.174 4.350 0.001 0.000 0.194 60 E C 2.118 178.743 176.600 0.041 0.000 0.997 60 E CA 1.275 57.696 56.400 0.033 0.000 0.801 60 E CB -0.299 29.482 29.700 0.135 0.000 0.746 60 E HN 0.522 nan 8.360 nan 0.000 0.450 61 A N 0.630 123.463 122.820 0.022 0.000 1.933 61 A HA -0.256 4.065 4.320 0.001 0.000 0.218 61 A C 2.123 179.733 177.584 0.043 0.000 1.175 61 A CA 1.802 53.858 52.037 0.032 0.000 0.628 61 A CB -0.656 18.355 19.000 0.019 0.000 0.814 61 A HN 0.374 nan 8.150 nan 0.000 0.444 62 Q N -0.113 119.710 119.800 0.039 0.000 2.084 62 Q HA -0.079 4.262 4.340 0.001 0.000 0.202 62 Q C 1.858 177.902 176.000 0.073 0.000 0.978 62 Q CA 1.776 57.617 55.803 0.063 0.000 0.844 62 Q CB -0.373 28.401 28.738 0.059 0.000 0.898 62 Q HN 0.660 nan 8.270 nan 0.000 0.426 63 L N -0.201 121.056 121.223 0.056 0.000 2.023 63 L HA -0.097 4.243 4.340 0.001 0.000 0.205 63 L C 2.609 179.512 176.870 0.055 0.000 1.073 63 L CA 1.333 56.206 54.840 0.055 0.000 0.745 63 L CB -0.725 41.358 42.059 0.040 0.000 0.900 63 L HN 0.362 nan 8.230 nan 0.000 0.435 64 S N -0.264 115.467 115.700 0.052 0.000 2.402 64 S HA -0.054 4.416 4.470 0.001 0.000 0.229 64 S C 1.726 176.356 174.600 0.050 0.000 1.021 64 S CA 0.788 59.017 58.200 0.048 0.000 0.974 64 S CB -0.283 62.947 63.200 0.049 0.000 0.800 64 S HN 0.588 nan 8.310 nan 0.000 0.484 65 G N 0.307 109.141 108.800 0.057 0.000 2.155 65 G HA2 -0.222 3.738 3.960 0.001 0.000 0.257 65 G HA3 -0.222 3.738 3.960 0.001 0.000 0.257 65 G C -0.110 174.826 174.900 0.059 0.000 0.983 65 G CA 0.537 45.672 45.100 0.060 0.000 0.676 65 G HN 0.609 nan 8.290 nan 0.000 0.528 66 E N -0.854 119.378 120.200 0.053 0.000 2.299 66 E HA 0.558 4.908 4.350 0.001 0.000 0.265 66 E C 0.184 176.805 176.600 0.035 0.000 0.911 66 E CA -1.181 55.251 56.400 0.053 0.000 0.789 66 E CB 1.742 31.473 29.700 0.052 0.000 1.246 66 E HN 0.311 nan 8.360 nan 0.000 0.427 67 L N 1.803 123.033 121.223 0.011 0.000 2.578 67 L HA 0.192 4.532 4.340 0.001 0.000 0.279 67 L C -0.698 176.161 176.870 -0.018 0.000 1.227 67 L CA 0.619 55.441 54.840 -0.029 0.000 0.900 67 L CB 0.067 42.054 42.059 -0.119 0.000 1.144 67 L HN 0.507 nan 8.230 nan 0.000 0.496 68 A N 4.877 127.695 122.820 -0.004 0.000 2.413 68 A HA 0.846 5.166 4.320 0.001 0.000 0.307 68 A C -1.280 176.318 177.584 0.022 0.000 1.087 68 A CA -0.595 51.463 52.037 0.035 0.000 0.750 68 A CB 1.784 20.824 19.000 0.067 0.000 1.296 68 A HN 0.580 nan 8.150 nan 0.000 0.423 69 V N 0.356 120.311 119.914 0.069 0.000 2.735 69 V HA 0.631 4.752 4.120 0.001 0.000 0.310 69 V C -0.069 176.083 176.094 0.096 0.000 1.061 69 V CA -0.489 61.833 62.300 0.037 0.000 0.913 69 V CB 1.270 33.094 31.823 0.001 0.000 1.005 69 V HN 1.508 nan 8.190 nan 0.000 0.428 70 C N 1.959 121.278 119.300 0.031 0.000 3.080 70 C HA 1.072 5.533 4.460 0.001 0.000 0.307 70 C C -0.167 174.823 174.990 -0.000 0.000 1.311 70 C CA -0.497 58.537 59.018 0.026 0.000 1.533 70 C CB 1.104 28.848 27.740 0.007 0.000 1.970 70 C HN 1.496 nan 8.230 nan 0.000 0.467 71 A N 0.244 123.074 122.820 0.016 0.000 2.606 71 A HA 1.027 5.348 4.320 0.001 0.000 0.293 71 A C -0.504 177.160 177.584 0.133 0.000 1.082 71 A CA 0.203 52.294 52.037 0.091 0.000 0.685 71 A CB 1.366 20.499 19.000 0.221 0.000 1.284 71 A HN 2.574 nan 8.150 nan 0.000 0.408 72 G N 0.018 108.901 108.800 0.138 0.000 2.706 72 G HA2 0.656 4.617 3.960 0.001 0.000 0.297 72 G HA3 0.656 4.617 3.960 0.001 0.000 0.297 72 G C -0.052 174.930 174.900 0.136 0.000 1.403 72 G CA 0.299 45.487 45.100 0.148 0.000 0.954 72 G HN 1.758 nan 8.290 nan 0.000 0.500 73 S N -0.869 114.908 115.700 0.128 0.000 2.612 73 S HA 0.314 4.784 4.470 0.001 0.000 0.253 73 S C 1.265 175.915 174.600 0.084 0.000 1.346 73 S CA 0.162 58.420 58.200 0.098 0.000 0.976 73 S CB 0.000 63.247 63.200 0.078 0.000 0.949 73 S HN 1.819 nan 8.310 nan 0.000 0.584 74 C N 0.392 119.742 119.300 0.083 0.000 2.689 74 C HA 0.702 5.163 4.460 0.001 0.000 0.409 74 C C 1.807 176.819 174.990 0.037 0.000 1.293 74 C CA 0.134 59.212 59.018 0.099 0.000 2.136 74 C CB -0.884 26.922 27.740 0.110 0.000 2.719 74 C HN 2.048 nan 8.230 nan 0.000 0.644 75 G N 3.779 112.606 108.800 0.047 0.000 2.557 75 G HA2 -0.220 3.741 3.960 0.001 0.000 0.292 75 G HA3 -0.220 3.741 3.960 0.001 0.000 0.292 75 G C -1.444 173.413 174.900 -0.071 0.000 1.162 75 G CA 0.436 45.514 45.100 -0.037 0.000 0.964 75 G HN 0.577 nan 8.290 nan 0.000 0.541 76 P HA 0.077 nan 4.420 nan 0.000 0.221 76 P C 2.027 179.138 177.300 -0.314 0.000 1.150 76 P CA 2.232 65.172 63.100 -0.267 0.000 0.800 76 P CB -0.580 30.934 31.700 -0.310 0.000 0.787 77 G N 1.782 110.494 108.800 -0.148 0.000 2.679 77 G HA2 -0.336 3.625 3.960 0.001 0.000 0.217 77 G HA3 -0.336 3.625 3.960 0.001 0.000 0.217 77 G C 1.368 176.292 174.900 0.041 0.000 1.267 77 G CA 1.605 46.682 45.100 -0.040 0.000 0.799 77 G HN 0.413 nan 8.290 nan 0.000 0.606 78 N N 0.335 119.087 118.700 0.088 0.000 2.331 78 N HA 0.022 4.763 4.740 0.001 0.000 0.180 78 N C 1.942 177.632 175.510 0.300 0.000 1.019 78 N CA 1.144 54.295 53.050 0.167 0.000 0.881 78 N CB -0.490 38.096 38.487 0.164 0.000 0.972 78 N HN 0.293 nan 8.380 nan 0.000 0.435 79 L N 0.780 122.121 121.223 0.198 0.000 2.079 79 L HA -0.133 4.208 4.340 0.001 0.000 0.210 79 L C 1.852 178.874 176.870 0.253 0.000 1.081 79 L CA 1.785 56.726 54.840 0.168 0.000 0.752 79 L CB -0.988 41.078 42.059 0.011 0.000 0.896 79 L HN 0.365 nan 8.230 nan 0.000 0.433 80 H N -1.518 117.640 119.070 0.147 0.000 2.518 80 H HA -0.102 4.455 4.556 0.001 0.000 0.289 80 H C 2.074 177.536 175.328 0.222 0.000 1.051 80 H CA 0.833 56.997 56.048 0.193 0.000 1.280 80 H CB 0.097 29.891 29.762 0.052 0.000 1.380 80 H HN 0.360 nan 8.280 nan 0.000 0.566 81 L N -0.006 121.402 121.223 0.309 0.000 2.217 81 L HA -0.129 4.212 4.340 0.001 0.000 0.211 81 L C 2.383 179.366 176.870 0.187 0.000 1.107 81 L CA 0.399 55.351 54.840 0.186 0.000 0.783 81 L CB -0.155 41.955 42.059 0.085 0.000 0.919 81 L HN 0.342 nan 8.230 nan 0.000 0.442 82 I N 0.742 121.507 120.570 0.326 0.000 2.118 82 I HA -0.413 3.758 4.170 0.001 0.000 0.241 82 I C 2.407 178.679 176.117 0.258 0.000 1.070 82 I CA 1.940 63.467 61.300 0.377 0.000 1.327 82 I CB -0.016 38.147 38.000 0.272 0.000 1.034 82 I HN 0.395 nan 8.210 nan 0.000 0.405 83 N N 0.742 119.526 118.700 0.139 0.000 2.104 83 N HA -0.161 4.580 4.740 0.001 0.000 0.190 83 N C 1.794 177.182 175.510 -0.202 0.000 1.024 83 N CA 1.943 55.024 53.050 0.052 0.000 0.853 83 N CB -0.582 37.953 38.487 0.080 0.000 1.008 83 N HN 0.439 nan 8.380 nan 0.000 0.424 84 G N 0.493 109.057 108.800 -0.393 0.000 2.418 84 G HA2 -0.179 3.781 3.960 0.001 0.000 0.217 84 G HA3 -0.179 3.781 3.960 0.001 0.000 0.217 84 G C 1.576 176.174 174.900 -0.503 0.000 1.158 84 G CA 0.727 45.308 45.100 -0.864 0.000 0.771 84 G HN 0.336 nan 8.290 nan 0.000 0.545 85 L N -0.822 120.252 121.223 -0.248 0.000 2.079 85 L HA -0.044 4.297 4.340 0.001 0.000 0.210 85 L C 2.698 179.413 176.870 -0.258 0.000 1.081 85 L CA 0.817 55.522 54.840 -0.225 0.000 0.752 85 L CB -0.435 41.515 42.059 -0.182 0.000 0.896 85 L HN 0.138 nan 8.230 nan 0.000 0.433 86 F N 0.571 120.310 119.950 -0.351 0.000 2.095 86 F HA -0.305 4.223 4.527 0.001 0.000 0.298 86 F C 2.366 177.872 175.800 -0.490 0.000 1.104 86 F CA 2.060 59.758 58.000 -0.503 0.000 1.232 86 F CB -0.375 38.034 39.000 -0.985 0.000 0.987 86 F HN 0.171 nan 8.300 nan 0.000 0.475 87 D N -0.621 119.592 120.400 -0.311 0.000 2.117 87 D HA -0.182 4.459 4.640 0.001 0.000 0.197 87 D C 2.237 178.455 176.300 -0.137 0.000 0.987 87 D CA 1.579 55.492 54.000 -0.143 0.000 0.829 87 D CB -0.335 40.360 40.800 -0.175 0.000 0.961 87 D HN 0.248 nan 8.370 nan 0.000 0.460 88 C N -0.457 118.732 119.300 -0.185 0.000 2.413 88 C HA -0.114 4.346 4.460 0.001 0.000 0.277 88 C C 2.527 177.456 174.990 -0.102 0.000 1.228 88 C CA 1.005 59.946 59.018 -0.128 0.000 1.731 88 C CB -1.456 26.202 27.740 -0.137 0.000 2.042 88 C HN 0.500 nan 8.230 nan 0.000 0.468 89 H N 1.198 120.121 119.070 -0.246 0.000 2.290 89 H HA -0.076 4.481 4.556 0.001 0.000 0.298 89 H C 2.411 177.581 175.328 -0.263 0.000 1.087 89 H CA 1.706 57.593 56.048 -0.268 0.000 1.291 89 H CB -0.165 29.382 29.762 -0.358 0.000 1.369 89 H HN 0.224 nan 8.280 nan 0.000 0.492 90 R N 0.271 120.628 120.500 -0.239 0.000 2.193 90 R HA -0.046 4.294 4.340 0.001 0.000 0.229 90 R C 1.037 176.985 176.300 -0.586 0.000 1.110 90 R CA 0.899 56.805 56.100 -0.323 0.000 0.988 90 R CB -0.338 29.927 30.300 -0.059 0.000 0.871 90 R HN 0.449 nan 8.270 nan 0.000 0.458 91 N N 0.304 118.771 118.700 -0.389 0.000 2.336 91 N HA -0.024 4.716 4.740 0.001 0.000 0.189 91 N C -0.532 174.844 175.510 -0.223 0.000 1.113 91 N CA 0.145 53.022 53.050 -0.288 0.000 0.858 91 N CB -0.131 38.309 38.487 -0.078 0.000 0.970 91 N HN 0.393 nan 8.380 nan 0.000 0.471 92 H N -2.074 116.967 119.070 -0.049 0.000 2.826 92 H HA -0.114 4.443 4.556 0.001 0.000 0.306 92 H C -0.355 174.981 175.328 0.014 0.000 1.235 92 H CA 0.337 56.364 56.048 -0.036 0.000 1.150 92 H CB -2.074 27.685 29.762 -0.005 0.000 1.409 92 H HN 0.065 nan 8.280 nan 0.000 0.420 93 V N -2.058 117.897 119.914 0.069 0.000 2.581 93 V HA 0.633 4.754 4.120 0.001 0.000 0.303 93 V C -2.303 173.828 176.094 0.062 0.000 1.041 93 V CA -2.564 59.775 62.300 0.066 0.000 0.907 93 V CB 2.374 34.217 31.823 0.034 0.000 0.994 93 V HN -0.030 nan 8.190 nan 0.000 0.442 94 P HA 0.296 nan 4.420 nan 0.000 0.274 94 P C -0.760 176.551 177.300 0.019 0.000 1.291 94 P CA 0.105 63.241 63.100 0.060 0.000 0.815 94 P CB 1.135 32.869 31.700 0.056 0.000 0.897 95 V N 5.749 125.666 119.914 0.005 0.000 2.569 95 V HA 0.212 4.332 4.120 0.001 0.000 0.301 95 V C -0.045 176.019 176.094 -0.049 0.000 1.044 95 V CA -0.867 61.413 62.300 -0.032 0.000 0.874 95 V CB 2.188 33.974 31.823 -0.062 0.000 1.002 95 V HN 0.358 nan 8.190 nan 0.000 0.424 96 L N 5.118 126.306 121.223 -0.059 0.000 2.292 96 L HA 0.869 5.210 4.340 0.001 0.000 0.284 96 L C 0.280 177.100 176.870 -0.083 0.000 1.065 96 L CA 0.117 54.915 54.840 -0.070 0.000 0.806 96 L CB 1.203 43.214 42.059 -0.081 0.000 1.175 96 L HN 0.762 nan 8.230 nan 0.000 0.431 97 A N 6.743 129.491 122.820 -0.120 0.000 2.291 97 A HA 0.617 4.938 4.320 0.001 0.000 0.311 97 A C -0.510 176.995 177.584 -0.131 0.000 1.224 97 A CA -0.492 51.451 52.037 -0.157 0.000 0.821 97 A CB 0.194 19.017 19.000 -0.295 0.000 1.172 97 A HN 0.707 nan 8.150 nan 0.000 0.494 98 I N 2.906 123.438 120.570 -0.063 0.000 2.291 98 I HA 0.328 4.498 4.170 0.001 0.000 0.292 98 I C 0.709 176.815 176.117 -0.019 0.000 1.064 98 I CA 0.006 61.294 61.300 -0.018 0.000 1.269 98 I CB 1.326 39.349 38.000 0.039 0.000 1.418 98 I HN 0.693 nan 8.210 nan 0.000 0.485 99 A N 6.394 129.188 122.820 -0.044 0.000 2.341 99 A HA 0.714 5.034 4.320 0.001 0.000 0.326 99 A C 0.499 178.113 177.584 0.051 0.000 1.402 99 A CA -0.488 51.541 52.037 -0.013 0.000 0.957 99 A CB 0.320 19.287 19.000 -0.055 0.000 1.151 99 A HN 0.791 nan 8.150 nan 0.000 0.533 100 A N 2.215 125.086 122.820 0.084 0.000 2.466 100 A HA 0.485 4.805 4.320 0.001 0.000 0.238 100 A C 0.139 177.825 177.584 0.170 0.000 1.074 100 A CA 0.364 52.468 52.037 0.112 0.000 0.774 100 A CB -0.012 19.047 19.000 0.099 0.000 1.015 100 A HN 1.041 nan 8.150 nan 0.000 0.498 101 H N -0.126 118.963 119.070 0.033 0.000 2.928 101 H HA 0.550 5.107 4.556 0.001 0.000 0.371 101 H C 0.006 175.349 175.328 0.024 0.000 1.186 101 H CA -0.808 55.252 56.048 0.021 0.000 1.134 101 H CB 1.001 30.768 29.762 0.008 0.000 1.824 101 H HN 0.759 nan 8.280 nan 0.000 0.554 102 I N 0.923 121.343 120.570 -0.250 0.000 2.993 102 I HA 0.280 4.450 4.170 0.001 0.000 0.286 102 I C -2.024 173.922 176.117 -0.285 0.000 1.215 102 I CA -1.752 59.429 61.300 -0.199 0.000 1.393 102 I CB 0.131 38.061 38.000 -0.117 0.000 1.371 102 I HN 0.351 nan 8.210 nan 0.000 0.602 103 P HA 0.002 nan 4.420 nan 0.000 0.262 103 P C 0.448 177.606 177.300 -0.235 0.000 1.182 103 P CA 0.162 63.152 63.100 -0.184 0.000 0.761 103 P CB 0.903 32.489 31.700 -0.189 0.000 0.795 104 S N 3.317 118.917 115.700 -0.166 0.000 2.393 104 S HA -0.267 4.204 4.470 0.001 0.000 0.235 104 S C 2.076 176.588 174.600 -0.147 0.000 1.061 104 S CA 2.554 60.674 58.200 -0.134 0.000 1.129 104 S CB -1.256 61.899 63.200 -0.074 0.000 1.011 104 S HN 0.775 nan 8.310 nan 0.000 0.436 105 S N 1.687 117.299 115.700 -0.147 0.000 2.392 105 S HA -0.195 4.276 4.470 0.001 0.000 0.232 105 S C 1.475 175.967 174.600 -0.180 0.000 1.041 105 S CA 1.341 59.456 58.200 -0.142 0.000 1.026 105 S CB -0.492 62.624 63.200 -0.140 0.000 0.845 105 S HN 0.438 nan 8.310 nan 0.000 0.465 106 E N 0.970 120.995 120.200 -0.292 0.000 2.435 106 E HA 0.307 4.657 4.350 0.001 0.000 0.195 106 E C 0.637 177.140 176.600 -0.162 0.000 1.029 106 E CA -0.187 56.004 56.400 -0.348 0.000 0.865 106 E CB -0.381 28.756 29.700 -0.938 0.000 0.833 106 E HN 0.642 nan 8.360 nan 0.000 0.510 107 I N 1.058 121.536 120.570 -0.153 0.000 2.826 107 I HA -0.092 4.079 4.170 0.001 0.000 0.295 107 I C 1.439 177.548 176.117 -0.014 0.000 1.213 107 I CA 1.362 62.608 61.300 -0.092 0.000 1.436 107 I CB 0.256 38.201 38.000 -0.092 0.000 1.348 107 I HN 0.287 nan 8.210 nan 0.000 0.570 108 G N 3.956 112.780 108.800 0.040 0.000 2.175 108 G HA2 -0.278 3.683 3.960 0.001 0.000 0.244 108 G HA3 -0.278 3.683 3.960 0.001 0.000 0.244 108 G C 0.608 175.550 174.900 0.071 0.000 0.982 108 G CA 0.390 45.537 45.100 0.079 0.000 0.641 108 G HN 0.785 nan 8.290 nan 0.000 0.527 109 S N -0.728 115.017 115.700 0.074 0.000 2.701 109 S HA 0.495 4.965 4.470 0.001 0.000 0.242 109 S C 1.637 176.303 174.600 0.109 0.000 1.025 109 S CA 1.034 59.283 58.200 0.081 0.000 1.016 109 S CB 0.751 63.995 63.200 0.072 0.000 0.977 109 S HN 2.252 nan 8.310 nan 0.000 0.546 110 G N 1.454 110.324 108.800 0.118 0.000 2.298 110 G HA2 -0.307 3.654 3.960 0.001 0.000 0.287 110 G HA3 -0.307 3.654 3.960 0.001 0.000 0.287 110 G C -0.275 174.708 174.900 0.140 0.000 1.075 110 G CA 0.121 45.287 45.100 0.110 0.000 0.960 110 G HN 0.678 nan 8.290 nan 0.000 0.502 111 Y N -0.296 120.021 120.300 0.028 0.000 2.357 111 Y HA 0.517 5.068 4.550 0.001 0.000 0.340 111 Y C 0.908 176.856 175.900 0.081 0.000 1.260 111 Y CA -1.279 56.853 58.100 0.053 0.000 1.425 111 Y CB 0.286 38.761 38.460 0.025 0.000 1.326 111 Y HN 0.432 nan 8.280 nan 0.000 0.580 112 F N 5.230 124.723 119.950 -0.761 0.000 2.548 112 F HA -0.059 4.469 4.527 0.001 0.000 0.403 112 F C 0.843 176.481 175.800 -0.269 0.000 1.004 112 F CA 1.067 58.738 58.000 -0.548 0.000 1.177 112 F CB 0.001 38.557 39.000 -0.740 0.000 0.974 112 F HN 0.792 nan 8.300 nan 0.000 0.541 113 Q N 1.076 120.465 119.800 -0.686 0.000 2.374 113 Q HA -0.307 4.033 4.340 0.001 0.000 0.218 113 Q C 0.143 176.041 176.000 -0.171 0.000 0.691 113 Q CA 1.251 56.749 55.803 -0.508 0.000 1.340 113 Q CB -1.377 27.016 28.738 -0.576 0.000 1.498 113 Q HN 0.856 nan 8.270 nan 0.000 0.739 114 E N 1.668 121.825 120.200 -0.072 0.000 2.406 114 E HA 0.106 4.456 4.350 0.001 0.000 0.258 114 E C 0.282 176.893 176.600 0.017 0.000 1.043 114 E CA 0.996 57.403 56.400 0.011 0.000 0.929 114 E CB 0.526 30.257 29.700 0.053 0.000 0.969 114 E HN 0.280 nan 8.360 nan 0.000 0.462 115 T N 1.187 115.766 114.554 0.042 0.000 2.773 115 T HA 0.330 4.680 4.350 0.001 0.000 0.278 115 T C -0.222 174.470 174.700 -0.012 0.000 1.011 115 T CA -0.858 61.276 62.100 0.057 0.000 1.014 115 T CB 1.285 70.164 68.868 0.018 0.000 1.293 115 T HN 0.490 nan 8.240 nan 0.000 0.554 116 H N 0.727 119.790 119.070 -0.012 0.000 2.348 116 H HA 0.274 4.831 4.556 0.001 0.000 0.232 116 H C -2.141 173.112 175.328 -0.125 0.000 1.419 116 H CA -1.581 54.433 56.048 -0.057 0.000 1.416 116 H CB 1.111 30.856 29.762 -0.028 0.000 1.510 116 H HN 0.459 nan 8.280 nan 0.000 0.507 117 P HA -0.220 nan 4.420 nan 0.000 0.215 117 P C 1.435 178.778 177.300 0.073 0.000 1.157 117 P CA 1.401 64.512 63.100 0.019 0.000 0.874 117 P CB 0.435 32.180 31.700 0.074 0.000 0.790 118 Q N -0.305 119.484 119.800 -0.017 0.000 2.197 118 Q HA -0.247 4.094 4.340 0.001 0.000 0.211 118 Q C 2.166 178.166 176.000 0.000 0.000 0.993 118 Q CA 1.853 57.652 55.803 -0.007 0.000 0.883 118 Q CB -1.052 27.671 28.738 -0.025 0.000 0.916 118 Q HN 0.406 nan 8.270 nan 0.000 0.418 119 E N 0.651 120.850 120.200 -0.002 0.000 2.057 119 E HA -0.064 4.287 4.350 0.001 0.000 0.190 119 E C 1.974 178.526 176.600 -0.081 0.000 0.969 119 E CA 0.398 56.779 56.400 -0.033 0.000 0.812 119 E CB -0.101 29.580 29.700 -0.031 0.000 0.777 119 E HN 0.416 nan 8.360 nan 0.000 0.455 120 L N 0.196 121.322 121.223 -0.162 0.000 2.021 120 L HA -0.207 4.134 4.340 0.001 0.000 0.215 120 L C 2.295 178.933 176.870 -0.385 0.000 1.074 120 L CA 1.586 56.221 54.840 -0.340 0.000 0.760 120 L CB -0.443 41.258 42.059 -0.596 0.000 0.889 120 L HN 0.115 nan 8.230 nan 0.000 0.433 121 F N -1.282 118.624 119.950 -0.074 0.000 2.773 121 F HA 0.060 4.587 4.527 0.001 0.000 0.304 121 F C 2.136 177.817 175.800 -0.199 0.000 1.129 121 F CA -0.145 57.767 58.000 -0.147 0.000 1.378 121 F CB -0.395 38.508 39.000 -0.161 0.000 1.095 121 F HN -0.117 nan 8.300 nan 0.000 0.565 122 R N 0.817 121.302 120.500 -0.026 0.000 2.119 122 R HA -0.243 4.098 4.340 0.001 0.000 0.246 122 R C 2.118 178.350 176.300 -0.112 0.000 1.146 122 R CA 1.709 57.772 56.100 -0.061 0.000 0.962 122 R CB -0.790 29.484 30.300 -0.043 0.000 0.863 122 R HN 0.418 nan 8.270 nan 0.000 0.442 123 E N -0.001 120.132 120.200 -0.112 0.000 2.107 123 E HA -0.121 4.230 4.350 0.001 0.000 0.191 123 E C 1.099 177.455 176.600 -0.407 0.000 0.982 123 E CA 1.232 57.559 56.400 -0.122 0.000 0.809 123 E CB 0.093 29.848 29.700 0.092 0.000 0.756 123 E HN 0.484 nan 8.360 nan 0.000 0.459 124 C N 1.107 119.948 119.300 -0.764 0.000 2.396 124 C HA 0.477 4.938 4.460 0.001 0.000 0.334 124 C C 0.538 174.905 174.990 -1.037 0.000 1.313 124 C CA -0.456 57.899 59.018 -1.104 0.000 1.719 124 C CB -1.906 24.903 27.740 -1.552 0.000 1.893 124 C HN 0.199 nan 8.230 nan 0.000 0.589 125 S N -2.071 113.068 115.700 -0.934 0.000 2.607 125 S HA 0.468 4.938 4.470 0.001 0.000 0.273 125 S C -0.283 174.028 174.600 -0.482 0.000 1.148 125 S CA -0.498 57.200 58.200 -0.837 0.000 0.833 125 S CB 0.602 63.593 63.200 -0.349 0.000 1.130 125 S HN 0.495 nan 8.310 nan 0.000 0.470 126 H N -0.664 118.326 119.070 -0.134 0.000 2.544 126 H HA 0.336 4.892 4.556 0.001 0.000 0.269 126 H C -0.744 174.668 175.328 0.139 0.000 0.970 126 H CA 0.758 56.858 56.048 0.087 0.000 1.219 126 H CB 0.314 30.169 29.762 0.155 0.000 1.421 126 H HN 0.582 nan 8.280 nan 0.000 0.555 127 Y N -0.398 119.935 120.300 0.055 0.000 2.409 127 Y HA 0.311 4.861 4.550 0.001 0.000 0.321 127 Y C -1.965 173.928 175.900 -0.012 0.000 1.209 127 Y CA -1.559 56.560 58.100 0.032 0.000 1.086 127 Y CB 1.227 39.717 38.460 0.051 0.000 1.320 127 Y HN -0.032 nan 8.280 nan 0.000 0.440 128 C N 6.848 125.871 119.300 -0.462 0.000 2.887 128 C HA 0.662 5.122 4.460 0.001 0.000 0.379 128 C C -1.759 173.004 174.990 -0.378 0.000 1.064 128 C CA -0.138 58.717 59.018 -0.273 0.000 1.282 128 C CB 0.161 27.833 27.740 -0.114 0.000 1.749 128 C HN 0.834 nan 8.230 nan 0.000 0.489 129 E N 2.519 122.536 120.200 -0.306 0.000 2.343 129 E HA 0.525 4.876 4.350 0.001 0.000 0.270 129 E C -1.350 175.214 176.600 -0.060 0.000 0.895 129 E CA -0.645 55.629 56.400 -0.210 0.000 0.767 129 E CB 2.273 31.830 29.700 -0.239 0.000 1.248 129 E HN 0.678 nan 8.360 nan 0.000 0.440 130 L N 1.913 123.116 121.223 -0.033 0.000 2.272 130 L HA 0.319 4.660 4.340 0.001 0.000 0.289 130 L C -0.914 175.978 176.870 0.036 0.000 1.032 130 L CA -0.569 54.276 54.840 0.007 0.000 0.810 130 L CB 1.205 43.274 42.059 0.017 0.000 1.205 130 L HN 0.229 nan 8.230 nan 0.000 0.422 131 V N 6.122 126.068 119.914 0.053 0.000 2.326 131 V HA 0.140 4.261 4.120 0.001 0.000 0.249 131 V C 1.129 177.254 176.094 0.051 0.000 1.114 131 V CA 0.373 62.706 62.300 0.055 0.000 1.028 131 V CB -0.172 31.688 31.823 0.061 0.000 1.170 131 V HN 1.056 nan 8.190 nan 0.000 0.494 132 S N 2.460 118.184 115.700 0.041 0.000 2.371 132 S HA -0.022 4.448 4.470 0.001 0.000 0.221 132 S C 1.092 175.703 174.600 0.018 0.000 1.036 132 S CA 0.752 58.971 58.200 0.033 0.000 0.965 132 S CB 0.148 63.365 63.200 0.028 0.000 0.845 132 S HN 0.689 nan 8.310 nan 0.000 0.475 133 S N 1.865 117.573 115.700 0.014 0.000 2.475 133 S HA 0.351 4.821 4.470 0.001 0.000 0.298 133 S C -2.141 172.457 174.600 -0.004 0.000 1.119 133 S CA -1.921 56.281 58.200 0.002 0.000 1.085 133 S CB 1.502 64.702 63.200 -0.000 0.000 1.028 133 S HN -0.014 nan 8.310 nan 0.000 0.489 134 P HA -0.072 nan 4.420 nan 0.000 0.223 134 P C 0.854 178.122 177.300 -0.053 0.000 1.144 134 P CA 0.755 63.838 63.100 -0.029 0.000 0.783 134 P CB 0.192 31.873 31.700 -0.031 0.000 0.771 135 E N 0.504 120.681 120.200 -0.039 0.000 2.265 135 E HA -0.166 4.184 4.350 0.001 0.000 0.196 135 E C 1.981 178.555 176.600 -0.043 0.000 0.996 135 E CA 0.933 57.305 56.400 -0.046 0.000 0.832 135 E CB -0.236 29.448 29.700 -0.027 0.000 0.756 135 E HN 0.620 nan 8.360 nan 0.000 0.491 136 Q N -0.501 119.286 119.800 -0.022 0.000 2.392 136 Q HA 0.065 4.405 4.340 0.001 0.000 0.203 136 Q C 1.933 177.937 176.000 0.007 0.000 0.917 136 Q CA -0.015 55.789 55.803 0.003 0.000 0.939 136 Q CB -0.144 28.610 28.738 0.028 0.000 1.063 136 Q HN 0.053 nan 8.270 nan 0.000 0.516 137 I N 2.745 123.296 120.570 -0.032 0.000 2.264 137 I HA -0.121 4.050 4.170 0.001 0.000 0.248 137 I C -0.982 175.145 176.117 0.017 0.000 1.111 137 I CA 0.670 61.964 61.300 -0.010 0.000 1.382 137 I CB -0.554 37.421 38.000 -0.042 0.000 1.060 137 I HN 0.070 nan 8.210 nan 0.000 0.418 138 P HA -0.178 nan 4.420 nan 0.000 0.215 138 P C 1.409 178.768 177.300 0.099 0.000 1.157 138 P CA 1.553 64.673 63.100 0.032 0.000 0.863 138 P CB -0.308 31.358 31.700 -0.058 0.000 0.787 139 Q N -0.582 119.252 119.800 0.057 0.000 2.137 139 Q HA -0.022 4.319 4.340 0.001 0.000 0.198 139 Q C 2.127 178.166 176.000 0.065 0.000 0.960 139 Q CA 1.228 57.067 55.803 0.060 0.000 0.847 139 Q CB -1.733 27.034 28.738 0.048 0.000 0.915 139 Q HN 0.103 nan 8.270 nan 0.000 0.448 140 V N 1.880 121.854 119.914 0.101 0.000 2.287 140 V HA -0.252 3.868 4.120 0.001 0.000 0.248 140 V C 2.441 178.568 176.094 0.054 0.000 1.053 140 V CA 1.886 64.282 62.300 0.160 0.000 1.027 140 V CB -0.738 31.208 31.823 0.205 0.000 0.646 140 V HN 0.250 nan 8.190 nan 0.000 0.447 141 L N 0.687 121.964 121.223 0.089 0.000 2.056 141 L HA 0.003 4.343 4.340 0.001 0.000 0.207 141 L C 2.441 179.335 176.870 0.040 0.000 1.078 141 L CA 2.253 57.135 54.840 0.069 0.000 0.749 141 L CB -1.075 41.075 42.059 0.151 0.000 0.901 141 L HN 0.215 nan 8.230 nan 0.000 0.433 142 A N -0.086 122.794 122.820 0.100 0.000 1.908 142 A HA -0.223 4.097 4.320 0.001 0.000 0.218 142 A C 2.264 179.885 177.584 0.062 0.000 1.181 142 A CA 2.385 54.517 52.037 0.157 0.000 0.627 142 A CB -0.890 18.184 19.000 0.124 0.000 0.818 142 A HN 0.527 nan 8.150 nan 0.000 0.445 143 I N -0.565 119.936 120.570 -0.115 0.000 2.193 143 I HA -0.210 3.961 4.170 0.001 0.000 0.240 143 I C 3.022 178.901 176.117 -0.397 0.000 1.084 143 I CA 0.924 62.060 61.300 -0.273 0.000 1.365 143 I CB -0.525 37.214 38.000 -0.437 0.000 1.064 143 I HN 0.342 nan 8.210 nan 0.000 0.410 144 A N 1.014 123.458 122.820 -0.628 0.000 1.884 144 A HA -0.302 4.019 4.320 0.001 0.000 0.219 144 A C 2.391 179.889 177.584 -0.144 0.000 1.197 144 A CA 2.282 54.069 52.037 -0.416 0.000 0.637 144 A CB -0.807 18.085 19.000 -0.180 0.000 0.827 144 A HN 0.365 nan 8.150 nan 0.000 0.450 145 M N -2.144 117.390 119.600 -0.109 0.000 2.067 145 M HA -0.171 4.309 4.480 0.001 0.000 0.260 145 M C 2.461 178.794 176.300 0.054 0.000 1.069 145 M CA 2.165 57.386 55.300 -0.133 0.000 1.117 145 M CB -0.366 31.980 32.600 -0.424 0.000 1.334 145 M HN 0.440 nan 8.290 nan 0.000 0.407 146 R N 0.777 121.422 120.500 0.242 0.000 2.094 146 R HA -0.147 4.194 4.340 0.001 0.000 0.239 146 R C 2.047 178.403 176.300 0.093 0.000 1.137 146 R CA 1.848 58.106 56.100 0.263 0.000 0.943 146 R CB -0.130 30.262 30.300 0.154 0.000 0.850 146 R HN 0.251 nan 8.270 nan 0.000 0.433 147 K N -0.465 119.939 120.400 0.007 0.000 2.009 147 K HA -0.141 4.179 4.320 0.001 0.000 0.210 147 K C 2.145 178.768 176.600 0.038 0.000 1.049 147 K CA 1.496 57.764 56.287 -0.031 0.000 0.929 147 K CB -0.333 32.142 32.500 -0.042 0.000 0.714 147 K HN 0.268 nan 8.250 nan 0.000 0.440 148 A N 1.168 124.048 122.820 0.100 0.000 1.884 148 A HA -0.195 4.126 4.320 0.001 0.000 0.219 148 A C 2.441 180.100 177.584 0.125 0.000 1.197 148 A CA 2.062 54.194 52.037 0.158 0.000 0.637 148 A CB -0.907 18.132 19.000 0.065 0.000 0.827 148 A HN 0.106 nan 8.150 nan 0.000 0.450 149 V N -0.429 119.539 119.914 0.089 0.000 2.283 149 V HA -0.189 3.932 4.120 0.001 0.000 0.243 149 V C 2.543 178.694 176.094 0.096 0.000 1.039 149 V CA 1.904 64.264 62.300 0.099 0.000 1.016 149 V CB -0.659 31.253 31.823 0.148 0.000 0.650 149 V HN 0.545 nan 8.190 nan 0.000 0.449 150 L N -0.209 121.062 121.223 0.080 0.000 2.162 150 L HA -0.024 4.316 4.340 0.001 0.000 0.205 150 L C 1.910 178.782 176.870 0.003 0.000 1.086 150 L CA 1.393 56.259 54.840 0.044 0.000 0.778 150 L CB -0.451 41.629 42.059 0.035 0.000 0.928 150 L HN 0.424 nan 8.230 nan 0.000 0.446 151 N N 0.118 118.789 118.700 -0.049 0.000 2.398 151 N HA 0.040 4.780 4.740 0.001 0.000 0.188 151 N C -0.399 175.163 175.510 0.087 0.000 1.122 151 N CA -0.209 52.758 53.050 -0.138 0.000 0.866 151 N CB 0.254 38.384 38.487 -0.596 0.000 0.970 151 N HN 0.083 nan 8.380 nan 0.000 0.462 152 R N 0.202 120.794 120.500 0.154 0.000 2.992 152 R HA -0.168 4.172 4.340 0.001 0.000 0.263 152 R C -0.208 176.288 176.300 0.328 0.000 0.902 152 R CA 0.256 56.478 56.100 0.204 0.000 0.667 152 R CB -1.570 28.812 30.300 0.137 0.000 1.504 152 R HN 0.469 nan 8.270 nan 0.000 0.489 153 G N -1.047 107.962 108.800 0.349 0.000 2.490 153 G HA2 0.445 4.405 3.960 0.001 0.000 0.308 153 G HA3 0.445 4.405 3.960 0.001 0.000 0.308 153 G C -1.132 173.877 174.900 0.183 0.000 1.286 153 G CA -0.563 44.657 45.100 0.201 0.000 0.825 153 G HN 0.134 nan 8.290 nan 0.000 0.479 154 V N 0.807 120.788 119.914 0.112 0.000 2.509 154 V HA 0.638 4.758 4.120 0.001 0.000 0.284 154 V C 0.226 176.281 176.094 -0.065 0.000 1.047 154 V CA -0.203 62.056 62.300 -0.068 0.000 0.952 154 V CB 1.282 32.958 31.823 -0.246 0.000 0.988 154 V HN 0.680 nan 8.190 nan 0.000 0.469 155 S N 2.932 118.623 115.700 -0.015 0.000 2.536 155 S HA 0.766 5.236 4.470 0.001 0.000 0.298 155 S C -0.738 173.846 174.600 -0.027 0.000 1.083 155 S CA -0.546 57.683 58.200 0.049 0.000 0.995 155 S CB 2.021 65.278 63.200 0.094 0.000 1.058 155 S HN 0.449 nan 8.310 nan 0.000 0.488 156 V N 2.683 122.603 119.914 0.010 0.000 2.531 156 V HA 0.504 4.624 4.120 0.001 0.000 0.301 156 V C -0.787 175.317 176.094 0.017 0.000 1.034 156 V CA -0.676 61.571 62.300 -0.088 0.000 0.865 156 V CB 1.830 33.507 31.823 -0.243 0.000 0.995 156 V HN 0.651 nan 8.190 nan 0.000 0.424 157 V N 5.498 125.414 119.914 0.003 0.000 2.357 157 V HA 0.401 4.522 4.120 0.001 0.000 0.284 157 V C -0.118 175.981 176.094 0.008 0.000 1.018 157 V CA -0.567 61.764 62.300 0.050 0.000 0.841 157 V CB 1.864 33.731 31.823 0.073 0.000 0.991 157 V HN 0.625 nan 8.190 nan 0.000 0.437 158 V N 6.804 126.722 119.914 0.005 0.000 2.383 158 V HA 0.445 4.565 4.120 0.001 0.000 0.275 158 V C -0.295 175.825 176.094 0.043 0.000 1.036 158 V CA -0.381 61.914 62.300 -0.009 0.000 0.889 158 V CB 1.419 33.195 31.823 -0.078 0.000 0.985 158 V HN 0.644 nan 8.190 nan 0.000 0.459 159 L N 9.192 130.463 121.223 0.080 0.000 2.427 159 L HA 0.640 4.980 4.340 0.001 0.000 0.264 159 L C -2.645 174.301 176.870 0.127 0.000 0.989 159 L CA -1.698 53.200 54.840 0.096 0.000 0.865 159 L CB 2.014 44.117 42.059 0.074 0.000 1.209 159 L HN 0.362 nan 8.230 nan 0.000 0.430 160 P HA 0.153 nan 4.420 nan 0.000 0.266 160 P C 0.861 178.187 177.300 0.042 0.000 1.195 160 P CA 0.206 63.353 63.100 0.079 0.000 0.768 160 P CB 0.840 32.549 31.700 0.014 0.000 0.838 161 G N 3.118 111.935 108.800 0.028 0.000 2.469 161 G HA2 -0.282 3.679 3.960 0.001 0.000 0.220 161 G HA3 -0.282 3.679 3.960 0.001 0.000 0.220 161 G C 1.070 175.973 174.900 0.006 0.000 1.136 161 G CA 0.892 46.004 45.100 0.021 0.000 0.759 161 G HN 0.596 nan 8.290 nan 0.000 0.562 162 D N 0.805 121.199 120.400 -0.010 0.000 2.117 162 D HA -0.107 4.534 4.640 0.001 0.000 0.198 162 D C 2.531 178.827 176.300 -0.006 0.000 0.982 162 D CA 1.230 55.220 54.000 -0.016 0.000 0.828 162 D CB -0.898 39.881 40.800 -0.034 0.000 0.967 162 D HN 0.265 nan 8.370 nan 0.000 0.464 163 V N 1.786 121.700 119.914 -0.000 0.000 2.343 163 V HA -0.197 3.924 4.120 0.001 0.000 0.247 163 V C 2.966 179.069 176.094 0.016 0.000 1.051 163 V CA 1.823 64.128 62.300 0.008 0.000 1.036 163 V CB -1.071 30.763 31.823 0.018 0.000 0.654 163 V HN 0.374 nan 8.190 nan 0.000 0.451 164 A N -0.268 122.567 122.820 0.024 0.000 2.019 164 A HA -0.118 4.202 4.320 0.001 0.000 0.219 164 A C 2.160 179.758 177.584 0.023 0.000 1.164 164 A CA 1.656 53.712 52.037 0.031 0.000 0.644 164 A CB -0.469 18.552 19.000 0.034 0.000 0.805 164 A HN 0.551 nan 8.150 nan 0.000 0.449 165 L N -0.737 120.493 121.223 0.012 0.000 2.446 165 L HA 0.019 4.359 4.340 0.001 0.000 0.219 165 L C 0.608 177.481 176.870 0.005 0.000 1.116 165 L CA 0.089 54.933 54.840 0.007 0.000 0.844 165 L CB -0.214 41.845 42.059 -0.001 0.000 0.970 165 L HN 0.146 nan 8.230 nan 0.000 0.457 166 K N 1.584 121.986 120.400 0.003 0.000 2.276 166 K HA 0.162 4.483 4.320 0.001 0.000 0.259 166 K C -2.242 174.359 176.600 0.001 0.000 1.001 166 K CA -1.613 54.673 56.287 -0.001 0.000 0.927 166 K CB -0.192 32.305 32.500 -0.006 0.000 0.969 166 K HN -0.153 nan 8.250 nan 0.000 0.490 167 P HA 0.038 nan 4.420 nan 0.000 0.271 167 P C -0.570 176.719 177.300 -0.018 0.000 1.226 167 P CA -0.072 63.027 63.100 -0.002 0.000 0.765 167 P CB 0.579 32.277 31.700 -0.003 0.000 0.835 168 A N 6.763 129.572 122.820 -0.018 0.000 2.492 168 A HA 0.279 4.600 4.320 0.001 0.000 0.236 168 A C -1.925 175.598 177.584 -0.102 0.000 1.078 168 A CA -0.893 51.092 52.037 -0.086 0.000 0.773 168 A CB -1.560 17.398 19.000 -0.070 0.000 1.023 168 A HN 0.418 nan 8.150 nan 0.000 0.504 169 P HA 0.075 nan 4.420 nan 0.000 0.265 169 P C 0.369 177.626 177.300 -0.072 0.000 1.193 169 P CA 0.189 63.220 63.100 -0.115 0.000 0.765 169 P CB 0.494 32.105 31.700 -0.147 0.000 0.823 170 E N 2.088 122.270 120.200 -0.030 0.000 2.106 170 E HA -0.109 4.242 4.350 0.001 0.000 0.192 170 E C 2.000 178.608 176.600 0.014 0.000 0.984 170 E CA 1.177 57.576 56.400 -0.001 0.000 0.806 170 E CB -0.374 29.328 29.700 0.003 0.000 0.750 170 E HN 0.645 nan 8.360 nan 0.000 0.458 171 G N 0.504 109.307 108.800 0.004 0.000 2.848 171 G HA2 0.100 4.061 3.960 0.001 0.000 0.208 171 G HA3 0.100 4.061 3.960 0.001 0.000 0.208 171 G C 0.406 175.332 174.900 0.043 0.000 1.152 171 G CA 0.304 45.417 45.100 0.021 0.000 0.789 171 G HN 0.258 nan 8.290 nan 0.000 0.531 172 A N 0.393 123.237 122.820 0.040 0.000 2.477 172 A HA 0.500 4.821 4.320 0.001 0.000 0.246 172 A C 0.736 178.467 177.584 0.245 0.000 1.078 172 A CA 0.314 52.414 52.037 0.104 0.000 0.770 172 A CB 0.235 19.190 19.000 -0.075 0.000 1.011 172 A HN 0.241 nan 8.150 nan 0.000 0.494 173 T N 2.252 116.956 114.554 0.250 0.000 2.817 173 T HA 0.430 4.781 4.350 0.001 0.000 0.293 173 T C 0.786 175.632 174.700 0.242 0.000 0.964 173 T CA -0.219 62.013 62.100 0.220 0.000 1.085 173 T CB 0.060 69.028 68.868 0.168 0.000 0.921 173 T HN 0.506 nan 8.240 nan 0.000 0.502 174 M N 2.868 122.553 119.600 0.141 0.000 2.441 174 M HA 0.198 4.679 4.480 0.001 0.000 0.244 174 M C 0.444 176.786 176.300 0.069 0.000 1.122 174 M CA -0.137 55.147 55.300 -0.027 0.000 1.041 174 M CB 0.013 32.555 32.600 -0.097 0.000 1.438 174 M HN 0.735 nan 8.290 nan 0.000 0.484 175 H N 0.329 119.440 119.070 0.068 0.000 2.764 175 H HA 0.014 4.571 4.556 0.001 0.000 0.341 175 H C -1.342 174.085 175.328 0.166 0.000 1.072 175 H CA 0.218 56.328 56.048 0.103 0.000 1.444 175 H CB 0.592 30.406 29.762 0.086 0.000 1.458 175 H HN 0.297 nan 8.280 nan 0.000 0.572 176 W N 7.765 128.654 121.300 -0.685 0.000 2.475 176 W HA 0.220 4.880 4.660 0.001 0.000 0.317 176 W C -1.737 174.430 176.519 -0.587 0.000 1.046 176 W CA -1.122 55.922 57.345 -0.501 0.000 1.215 176 W CB 0.756 29.952 29.460 -0.440 0.000 1.335 176 W HN 0.633 nan 8.180 nan 0.000 0.471 177 Y N 5.654 125.391 120.300 -0.939 0.000 2.383 177 Y HA 0.185 4.735 4.550 0.001 0.000 0.344 177 Y C -0.148 175.265 175.900 -0.813 0.000 0.986 177 Y CA -0.050 57.685 58.100 -0.608 0.000 1.175 177 Y CB 0.360 38.616 38.460 -0.340 0.000 1.152 177 Y HN 0.331 nan 8.280 nan 0.000 0.511 178 H N 4.860 123.434 119.070 -0.826 0.000 3.291 178 H HA 0.365 4.921 4.556 0.001 0.000 0.256 178 H C -0.131 174.918 175.328 -0.465 0.000 1.315 178 H CA 0.370 56.177 56.048 -0.402 0.000 1.521 178 H CB -0.023 29.620 29.762 -0.198 0.000 1.621 178 H HN 0.695 nan 8.280 nan 0.000 0.498 179 A N 5.994 128.760 122.820 -0.091 0.000 2.269 179 A HA 0.327 4.647 4.320 0.001 0.000 0.302 179 A C -1.903 175.730 177.584 0.081 0.000 1.266 179 A CA -1.409 50.686 52.037 0.097 0.000 0.894 179 A CB 0.031 19.102 19.000 0.118 0.000 1.147 179 A HN 0.469 nan 8.150 nan 0.000 0.537 180 P HA 0.163 nan 4.420 nan 0.000 0.276 180 P C -0.578 176.754 177.300 0.053 0.000 1.244 180 P CA -0.468 62.669 63.100 0.062 0.000 0.801 180 P CB 0.546 32.274 31.700 0.047 0.000 1.006 181 Q N 1.310 121.135 119.800 0.043 0.000 2.369 181 Q HA 0.076 4.417 4.340 0.001 0.000 0.295 181 Q C -1.480 174.533 176.000 0.021 0.000 1.075 181 Q CA -0.356 55.463 55.803 0.028 0.000 0.941 181 Q CB -0.599 28.151 28.738 0.020 0.000 1.260 181 Q HN 0.459 nan 8.270 nan 0.000 0.417 182 P HA 0.167 nan 4.420 nan 0.000 0.279 182 P C -0.706 176.596 177.300 0.002 0.000 1.282 182 P CA -0.438 62.666 63.100 0.007 0.000 0.788 182 P CB 0.547 32.247 31.700 -0.000 0.000 1.139 183 V N 0.475 120.389 119.914 -0.001 0.000 2.385 183 V HA 0.187 4.308 4.120 0.001 0.000 0.269 183 V C 0.489 176.576 176.094 -0.012 0.000 1.043 183 V CA -0.525 61.771 62.300 -0.006 0.000 0.906 183 V CB 1.033 32.852 31.823 -0.005 0.000 0.995 183 V HN 0.377 nan 8.190 nan 0.000 0.467 184 V N 5.524 125.428 119.914 -0.017 0.000 2.284 184 V HA 0.646 4.767 4.120 0.001 0.000 0.274 184 V C 0.059 176.137 176.094 -0.028 0.000 1.023 184 V CA 0.264 62.551 62.300 -0.021 0.000 0.808 184 V CB 1.422 33.232 31.823 -0.022 0.000 1.035 184 V HN 1.029 nan 8.190 nan 0.000 0.445 185 T N 7.357 121.894 114.554 -0.028 0.000 2.887 185 T HA 0.722 5.072 4.350 0.001 0.000 0.288 185 T C -2.650 172.030 174.700 -0.033 0.000 1.021 185 T CA -1.656 60.423 62.100 -0.034 0.000 1.000 185 T CB 2.043 70.891 68.868 -0.034 0.000 1.034 185 T HN 0.642 nan 8.240 nan 0.000 0.467 186 P HA 0.255 nan 4.420 nan 0.000 0.274 186 P C -0.315 176.967 177.300 -0.029 0.000 1.246 186 P CA -0.444 62.636 63.100 -0.034 0.000 0.795 186 P CB 0.544 32.220 31.700 -0.039 0.000 1.006 187 E N 0.503 120.689 120.200 -0.025 0.000 2.418 187 E HA -0.084 4.266 4.350 0.001 0.000 0.261 187 E C 1.043 177.630 176.600 -0.022 0.000 1.070 187 E CA -0.054 56.334 56.400 -0.021 0.000 0.931 187 E CB 0.642 30.332 29.700 -0.017 0.000 0.954 187 E HN 0.563 nan 8.360 nan 0.000 0.439 188 E N 1.497 121.685 120.200 -0.019 0.000 2.130 188 E HA -0.280 4.070 4.350 0.001 0.000 0.196 188 E C 1.542 178.131 176.600 -0.019 0.000 0.998 188 E CA 1.377 57.765 56.400 -0.019 0.000 0.806 188 E CB 0.196 29.886 29.700 -0.015 0.000 0.738 188 E HN 0.403 nan 8.360 nan 0.000 0.459 189 E N 0.754 120.944 120.200 -0.017 0.000 2.072 189 E HA -0.179 4.172 4.350 0.001 0.000 0.191 189 E C 1.874 178.463 176.600 -0.018 0.000 0.985 189 E CA 1.188 57.579 56.400 -0.015 0.000 0.801 189 E CB -0.048 29.645 29.700 -0.012 0.000 0.750 189 E HN 0.245 nan 8.360 nan 0.000 0.452 190 E N 0.242 120.430 120.200 -0.020 0.000 2.077 190 E HA -0.160 4.190 4.350 0.001 0.000 0.193 190 E C 2.333 178.916 176.600 -0.028 0.000 0.989 190 E CA 0.790 57.176 56.400 -0.023 0.000 0.800 190 E CB -0.349 29.337 29.700 -0.024 0.000 0.746 190 E HN 0.345 nan 8.360 nan 0.000 0.452 191 L N 0.382 121.586 121.223 -0.031 0.000 2.046 191 L HA -0.171 4.169 4.340 0.001 0.000 0.208 191 L C 2.705 179.555 176.870 -0.034 0.000 1.077 191 L CA 1.227 56.045 54.840 -0.036 0.000 0.747 191 L CB -0.359 41.677 42.059 -0.037 0.000 0.896 191 L HN 0.045 nan 8.230 nan 0.000 0.432 192 R N 0.068 120.549 120.500 -0.031 0.000 2.081 192 R HA -0.163 4.178 4.340 0.001 0.000 0.235 192 R C 2.333 178.605 176.300 -0.047 0.000 1.131 192 R CA 1.241 57.320 56.100 -0.035 0.000 0.960 192 R CB -0.245 30.039 30.300 -0.027 0.000 0.856 192 R HN 0.380 nan 8.270 nan 0.000 0.436 193 K N 0.556 120.934 120.400 -0.037 0.000 1.991 193 K HA -0.180 4.140 4.320 0.001 0.000 0.212 193 K C 2.092 178.662 176.600 -0.051 0.000 1.049 193 K CA 1.223 57.487 56.287 -0.038 0.000 0.932 193 K CB -0.412 32.075 32.500 -0.021 0.000 0.717 193 K HN 0.026 nan 8.250 nan 0.000 0.441 194 L N 1.315 122.515 121.223 -0.038 0.000 2.043 194 L HA -0.212 4.129 4.340 0.001 0.000 0.212 194 L C 2.201 179.049 176.870 -0.038 0.000 1.075 194 L CA 2.003 56.825 54.840 -0.029 0.000 0.752 194 L CB -0.772 41.273 42.059 -0.023 0.000 0.891 194 L HN 0.183 nan 8.230 nan 0.000 0.432 195 A N -1.508 121.282 122.820 -0.049 0.000 1.898 195 A HA -0.236 4.085 4.320 0.001 0.000 0.216 195 A C 2.238 179.730 177.584 -0.153 0.000 1.181 195 A CA 1.596 53.598 52.037 -0.057 0.000 0.620 195 A CB -0.543 18.432 19.000 -0.042 0.000 0.819 195 A HN 0.613 nan 8.150 nan 0.000 0.442 196 Q N -0.723 118.947 119.800 -0.216 0.000 2.061 196 Q HA -0.132 4.208 4.340 0.001 0.000 0.204 196 Q C 2.114 177.752 176.000 -0.603 0.000 0.984 196 Q CA 1.533 57.055 55.803 -0.468 0.000 0.846 196 Q CB -0.275 28.237 28.738 -0.377 0.000 0.902 196 Q HN 0.704 nan 8.270 nan 0.000 0.421 197 L N 0.252 121.314 121.223 -0.269 0.000 1.989 197 L HA -0.249 4.092 4.340 0.001 0.000 0.211 197 L C 2.120 178.937 176.870 -0.089 0.000 1.071 197 L CA 1.218 55.986 54.840 -0.119 0.000 0.749 197 L CB -0.186 41.853 42.059 -0.032 0.000 0.890 197 L HN 0.300 nan 8.230 nan 0.000 0.431 198 L N -0.750 120.427 121.223 -0.076 0.000 2.079 198 L HA -0.259 4.082 4.340 0.001 0.000 0.210 198 L C 2.744 179.576 176.870 -0.064 0.000 1.081 198 L CA 1.310 56.127 54.840 -0.039 0.000 0.752 198 L CB -0.626 41.435 42.059 0.004 0.000 0.896 198 L HN 0.304 nan 8.230 nan 0.000 0.433 199 R N -0.516 119.897 120.500 -0.144 0.000 2.152 199 R HA -0.182 4.159 4.340 0.001 0.000 0.232 199 R C 1.472 177.787 176.300 0.025 0.000 1.117 199 R CA 1.287 57.316 56.100 -0.119 0.000 0.981 199 R CB 0.011 30.184 30.300 -0.212 0.000 0.870 199 R HN 0.290 nan 8.270 nan 0.000 0.451 200 Y N -0.315 119.976 120.300 -0.015 0.000 2.461 200 Y HA 0.316 4.867 4.550 0.001 0.000 0.277 200 Y C 0.099 175.980 175.900 -0.032 0.000 1.182 200 Y CA -0.590 57.498 58.100 -0.020 0.000 1.276 200 Y CB 0.377 38.827 38.460 -0.017 0.000 1.087 200 Y HN -0.148 nan 8.280 nan 0.000 0.519 201 S N -0.945 114.813 115.700 0.097 0.000 2.472 201 S HA 0.349 4.819 4.470 0.001 0.000 0.303 201 S C 0.881 175.468 174.600 -0.023 0.000 1.099 201 S CA -0.513 57.699 58.200 0.019 0.000 1.077 201 S CB 2.109 65.304 63.200 -0.008 0.000 1.031 201 S HN 0.110 nan 8.310 nan 0.000 0.487 202 S N 2.374 118.038 115.700 -0.060 0.000 2.355 202 S HA 0.085 4.556 4.470 0.001 0.000 0.216 202 S C 0.379 174.887 174.600 -0.155 0.000 1.037 202 S CA 0.564 58.719 58.200 -0.075 0.000 0.955 202 S CB -0.162 62.997 63.200 -0.068 0.000 0.877 202 S HN 0.649 nan 8.310 nan 0.000 0.488 203 N N 1.636 120.139 118.700 -0.328 0.000 2.558 203 N HA 0.424 5.165 4.740 0.001 0.000 0.233 203 N C -1.151 174.013 175.510 -0.575 0.000 1.038 203 N CA 0.118 52.685 53.050 -0.805 0.000 0.934 203 N CB 0.319 38.030 38.487 -1.293 0.000 1.175 203 N HN 0.300 nan 8.380 nan 0.000 0.512 204 I N 0.992 121.439 120.570 -0.204 0.000 2.392 204 I HA 0.626 4.796 4.170 0.001 0.000 0.295 204 I C 0.156 176.398 176.117 0.209 0.000 0.985 204 I CA -0.871 60.418 61.300 -0.018 0.000 1.221 204 I CB 1.441 39.426 38.000 -0.026 0.000 1.366 204 I HN 0.307 nan 8.210 nan 0.000 0.467 205 A N 7.215 130.139 122.820 0.174 0.000 2.435 205 A HA 0.883 5.204 4.320 0.001 0.000 0.304 205 A C -1.098 176.559 177.584 0.122 0.000 1.064 205 A CA -0.563 51.602 52.037 0.213 0.000 0.727 205 A CB 1.429 20.589 19.000 0.266 0.000 1.284 205 A HN 0.648 nan 8.150 nan 0.000 0.415 206 L N 1.597 122.879 121.223 0.100 0.000 2.341 206 L HA 0.666 5.007 4.340 0.001 0.000 0.278 206 L C -0.421 176.489 176.870 0.067 0.000 1.005 206 L CA -0.648 54.249 54.840 0.096 0.000 0.818 206 L CB 1.926 44.050 42.059 0.109 0.000 1.259 206 L HN 0.802 nan 8.230 nan 0.000 0.418 207 M N 3.811 123.455 119.600 0.073 0.000 2.114 207 M HA 0.470 4.950 4.480 0.001 0.000 0.332 207 M C -1.299 175.039 176.300 0.065 0.000 1.014 207 M CA 0.032 55.353 55.300 0.035 0.000 0.956 207 M CB 0.924 33.553 32.600 0.049 0.000 1.551 207 M HN 0.578 nan 8.290 nan 0.000 0.427 208 C N 3.886 123.225 119.300 0.066 0.000 2.382 208 C HA 0.995 5.456 4.460 0.001 0.000 0.327 208 C C 0.785 175.847 174.990 0.121 0.000 1.250 208 C CA -0.535 58.538 59.018 0.092 0.000 1.707 208 C CB 0.744 28.539 27.740 0.091 0.000 2.272 208 C HN 1.029 nan 8.230 nan 0.000 0.506 209 G N 0.653 109.523 108.800 0.116 0.000 3.108 209 G HA2 0.485 4.446 3.960 0.001 0.000 0.268 209 G HA3 0.485 4.446 3.960 0.001 0.000 0.268 209 G C 0.884 175.863 174.900 0.133 0.000 1.361 209 G CA 0.460 45.645 45.100 0.140 0.000 1.047 209 G HN 0.821 nan 8.290 nan 0.000 0.540 210 S N -1.157 114.637 115.700 0.157 0.000 2.440 210 S HA -0.043 4.427 4.470 0.001 0.000 0.238 210 S C 2.317 176.904 174.600 -0.023 0.000 1.010 210 S CA 1.900 60.181 58.200 0.135 0.000 0.972 210 S CB -0.682 62.640 63.200 0.202 0.000 0.774 210 S HN 1.145 nan 8.310 nan 0.000 0.501 211 G N 0.062 108.867 108.800 0.008 0.000 2.501 211 G HA2 -0.171 3.789 3.960 0.001 0.000 0.220 211 G HA3 -0.171 3.789 3.960 0.001 0.000 0.220 211 G C 1.240 176.112 174.900 -0.046 0.000 1.114 211 G CA 0.911 45.993 45.100 -0.030 0.000 0.757 211 G HN 0.662 nan 8.290 nan 0.000 0.559 212 C N 0.844 120.126 119.300 -0.030 0.000 2.626 212 C HA 0.611 5.072 4.460 0.001 0.000 0.266 212 C C 1.961 176.926 174.990 -0.041 0.000 1.317 212 C CA -0.858 58.151 59.018 -0.016 0.000 1.716 212 C CB -1.380 26.379 27.740 0.031 0.000 1.819 212 C HN 0.614 nan 8.230 nan 0.000 0.578 213 A N 0.484 123.178 122.820 -0.209 0.000 2.565 213 A HA 0.389 4.709 4.320 0.001 0.000 0.237 213 A C 1.491 179.033 177.584 -0.071 0.000 1.053 213 A CA 1.185 53.024 52.037 -0.331 0.000 0.755 213 A CB -0.501 18.040 19.000 -0.764 0.000 0.980 213 A HN 1.526 nan 8.150 nan 0.000 0.506 214 G N 0.635 109.466 108.800 0.051 0.000 2.184 214 G HA2 0.066 4.027 3.960 0.001 0.000 0.264 214 G HA3 0.066 4.027 3.960 0.001 0.000 0.264 214 G C 0.692 175.641 174.900 0.081 0.000 0.975 214 G CA 0.914 46.059 45.100 0.074 0.000 0.642 214 G HN 2.248 nan 8.290 nan 0.000 0.536 215 A N -0.641 122.232 122.820 0.088 0.000 2.589 215 A HA 0.544 4.865 4.320 0.001 0.000 0.283 215 A C 1.216 178.858 177.584 0.096 0.000 1.187 215 A CA 1.141 53.217 52.037 0.066 0.000 0.957 215 A CB -0.262 18.746 19.000 0.013 0.000 1.175 215 A HN 0.602 nan 8.150 nan 0.000 0.532 216 H N 1.395 120.501 119.070 0.061 0.000 2.352 216 H HA -0.164 4.392 4.556 0.001 0.000 0.299 216 H C 1.873 177.223 175.328 0.038 0.000 1.097 216 H CA 2.144 58.213 56.048 0.035 0.000 1.311 216 H CB 0.078 29.870 29.762 0.050 0.000 1.377 216 H HN 0.593 nan 8.280 nan 0.000 0.504 217 K N 0.413 120.951 120.400 0.229 0.000 2.009 217 K HA -0.179 4.141 4.320 0.001 0.000 0.210 217 K C 2.075 178.718 176.600 0.072 0.000 1.049 217 K CA 1.956 58.342 56.287 0.165 0.000 0.929 217 K CB 0.094 32.682 32.500 0.146 0.000 0.714 217 K HN 0.193 nan 8.250 nan 0.000 0.440 218 E N 1.015 121.247 120.200 0.053 0.000 2.077 218 E HA -0.188 4.163 4.350 0.001 0.000 0.193 218 E C 1.780 178.399 176.600 0.032 0.000 0.989 218 E CA 0.918 57.337 56.400 0.032 0.000 0.800 218 E CB -0.300 29.401 29.700 0.001 0.000 0.746 218 E HN 0.218 nan 8.360 nan 0.000 0.452 219 L N 0.666 121.884 121.223 -0.007 0.000 1.955 219 L HA -0.181 4.160 4.340 0.001 0.000 0.213 219 L C 2.384 179.253 176.870 -0.002 0.000 1.072 219 L CA 2.048 56.885 54.840 -0.006 0.000 0.755 219 L CB -1.030 40.981 42.059 -0.081 0.000 0.888 219 L HN 0.217 nan 8.230 nan 0.000 0.432 220 V N -1.968 117.891 119.914 -0.092 0.000 2.332 220 V HA -0.298 3.822 4.120 0.001 0.000 0.248 220 V C 2.382 178.486 176.094 0.017 0.000 1.055 220 V CA 2.110 64.407 62.300 -0.005 0.000 1.038 220 V CB -1.256 30.586 31.823 0.031 0.000 0.651 220 V HN 0.721 nan 8.190 nan 0.000 0.450 221 E N 0.024 120.253 120.200 0.048 0.000 2.058 221 E HA -0.269 4.081 4.350 0.001 0.000 0.194 221 E C 1.992 178.608 176.600 0.027 0.000 0.997 221 E CA 1.860 58.292 56.400 0.055 0.000 0.801 221 E CB -0.419 29.326 29.700 0.073 0.000 0.746 221 E HN 0.665 nan 8.360 nan 0.000 0.450 222 F N 1.331 121.223 119.950 -0.097 0.000 2.046 222 F HA -0.198 4.330 4.527 0.001 0.000 0.297 222 F C 2.161 177.847 175.800 -0.190 0.000 1.123 222 F CA 1.984 59.916 58.000 -0.113 0.000 1.199 222 F CB -0.912 38.035 39.000 -0.089 0.000 0.972 222 F HN 0.120 nan 8.300 nan 0.000 0.474 223 A N 0.270 122.876 122.820 -0.357 0.000 1.940 223 A HA -0.102 4.219 4.320 0.001 0.000 0.219 223 A C 2.499 179.550 177.584 -0.889 0.000 1.176 223 A CA 1.863 53.508 52.037 -0.654 0.000 0.631 223 A CB -1.862 16.782 19.000 -0.592 0.000 0.814 223 A HN 0.569 nan 8.150 nan 0.000 0.446 224 G N -0.648 107.659 108.800 -0.822 0.000 2.418 224 G HA2 -0.252 3.708 3.960 0.001 0.000 0.217 224 G HA3 -0.252 3.708 3.960 0.001 0.000 0.217 224 G C 1.643 176.399 174.900 -0.240 0.000 1.158 224 G CA 1.189 45.989 45.100 -0.499 0.000 0.771 224 G HN 0.579 nan 8.290 nan 0.000 0.545 225 K N 0.458 120.725 120.400 -0.223 0.000 2.097 225 K HA 0.018 4.339 4.320 0.001 0.000 0.206 225 K C 2.216 178.709 176.600 -0.178 0.000 1.049 225 K CA 1.327 57.527 56.287 -0.145 0.000 0.933 225 K CB -0.213 32.229 32.500 -0.098 0.000 0.717 225 K HN 0.540 nan 8.250 nan 0.000 0.442 226 I N -3.284 117.104 120.570 -0.303 0.000 3.976 226 I HA 0.242 4.413 4.170 0.001 0.000 0.337 226 I C -0.808 175.199 176.117 -0.184 0.000 1.359 226 I CA -0.487 60.660 61.300 -0.255 0.000 1.098 226 I CB 0.376 38.155 38.000 -0.368 0.000 1.027 226 I HN -0.129 nan 8.210 nan 0.000 0.394 227 K N 1.981 122.266 120.400 -0.192 0.000 3.419 227 K HA -0.143 4.178 4.320 0.001 0.000 0.272 227 K C -0.232 176.341 176.600 -0.045 0.000 0.973 227 K CA 0.973 57.206 56.287 -0.090 0.000 0.749 227 K CB -1.721 30.788 32.500 0.014 0.000 1.403 227 K HN 0.683 nan 8.250 nan 0.000 0.456 228 A N 1.243 123.962 122.820 -0.168 0.000 2.287 228 A HA 0.619 4.940 4.320 0.001 0.000 0.317 228 A C -2.196 175.362 177.584 -0.043 0.000 1.220 228 A CA -1.609 50.399 52.037 -0.049 0.000 0.835 228 A CB 0.809 19.733 19.000 -0.128 0.000 1.180 228 A HN 0.077 nan 8.150 nan 0.000 0.500 229 P HA 0.235 nan 4.420 nan 0.000 0.270 229 P C -0.710 176.620 177.300 0.049 0.000 1.223 229 P CA 0.226 63.354 63.100 0.047 0.000 0.785 229 P CB 0.813 32.480 31.700 -0.055 0.000 0.923 230 I N 1.618 122.227 120.570 0.064 0.000 2.411 230 I HA 0.208 4.378 4.170 0.001 0.000 0.284 230 I C 0.402 176.524 176.117 0.009 0.000 1.012 230 I CA -1.054 60.276 61.300 0.051 0.000 1.119 230 I CB 1.923 39.971 38.000 0.080 0.000 1.261 230 I HN 0.089 nan 8.210 nan 0.000 0.448 231 V N 7.101 126.996 119.914 -0.031 0.000 2.539 231 V HA 0.513 4.634 4.120 0.001 0.000 0.292 231 V C -0.449 175.598 176.094 -0.079 0.000 1.045 231 V CA -0.012 62.212 62.300 -0.128 0.000 0.945 231 V CB 1.340 33.052 31.823 -0.185 0.000 0.993 231 V HN 0.782 nan 8.190 nan 0.000 0.464 232 H N 4.604 123.612 119.070 -0.103 0.000 2.670 232 H HA 0.837 5.393 4.556 0.001 0.000 0.361 232 H C -0.299 174.975 175.328 -0.090 0.000 1.169 232 H CA -0.501 55.509 56.048 -0.063 0.000 1.198 232 H CB 1.869 31.626 29.762 -0.008 0.000 1.700 232 H HN 0.909 nan 8.280 nan 0.000 0.542 233 A N 2.155 125.029 122.820 0.089 0.000 2.286 233 A HA 0.241 4.562 4.320 0.001 0.000 0.286 233 A C 1.255 178.944 177.584 0.176 0.000 1.097 233 A CA -0.691 51.419 52.037 0.122 0.000 0.821 233 A CB 0.650 19.777 19.000 0.210 0.000 1.076 233 A HN 0.672 nan 8.150 nan 0.000 0.490 234 L N 0.862 122.135 121.223 0.083 0.000 2.013 234 L HA -0.165 4.175 4.340 0.001 0.000 0.212 234 L C 2.293 179.097 176.870 -0.110 0.000 1.073 234 L CA 2.057 56.846 54.840 -0.085 0.000 0.753 234 L CB -0.672 41.182 42.059 -0.342 0.000 0.890 234 L HN 0.791 nan 8.230 nan 0.000 0.432 235 R N -0.935 119.550 120.500 -0.024 0.000 2.328 235 R HA -0.007 4.334 4.340 0.001 0.000 0.207 235 R C 1.837 178.263 176.300 0.210 0.000 1.056 235 R CA 0.634 56.806 56.100 0.120 0.000 1.016 235 R CB -0.465 29.971 30.300 0.228 0.000 0.872 235 R HN 0.590 nan 8.270 nan 0.000 0.471 236 G N 0.407 109.320 108.800 0.189 0.000 2.887 236 G HA2 -0.120 3.840 3.960 0.001 0.000 0.211 236 G HA3 -0.120 3.840 3.960 0.001 0.000 0.211 236 G C 1.158 176.113 174.900 0.092 0.000 1.152 236 G CA -0.304 44.934 45.100 0.229 0.000 0.769 236 G HN 0.143 nan 8.290 nan 0.000 0.541 237 K N 1.573 121.972 120.400 -0.001 0.000 2.034 237 K HA -0.227 4.094 4.320 0.001 0.000 0.214 237 K C 2.356 178.880 176.600 -0.126 0.000 1.051 237 K CA 2.008 58.176 56.287 -0.198 0.000 0.931 237 K CB -0.232 32.235 32.500 -0.055 0.000 0.715 237 K HN 0.548 nan 8.250 nan 0.000 0.446 238 E N -0.941 119.193 120.200 -0.110 0.000 2.347 238 E HA -0.184 4.167 4.350 0.001 0.000 0.196 238 E C 1.147 177.697 176.600 -0.083 0.000 1.008 238 E CA 1.031 57.349 56.400 -0.137 0.000 0.852 238 E CB -0.150 29.412 29.700 -0.231 0.000 0.783 238 E HN 0.548 nan 8.360 nan 0.000 0.505 239 H N -0.381 118.807 119.070 0.196 0.000 2.575 239 H HA 0.213 4.769 4.556 0.001 0.000 0.267 239 H C 1.353 176.804 175.328 0.205 0.000 0.966 239 H CA 0.523 56.733 56.048 0.270 0.000 1.165 239 H CB 1.325 31.194 29.762 0.178 0.000 1.433 239 H HN 0.122 nan 8.280 nan 0.000 0.544 240 V N 0.112 120.107 119.914 0.134 0.000 3.350 240 V HA -0.050 4.071 4.120 0.001 0.000 0.246 240 V C 1.772 177.787 176.094 -0.133 0.000 1.363 240 V CA 0.744 63.029 62.300 -0.026 0.000 1.162 240 V CB 0.794 32.605 31.823 -0.022 0.000 0.947 240 V HN 0.319 nan 8.190 nan 0.000 0.454 241 E N 1.250 121.359 120.200 -0.152 0.000 2.437 241 E HA 0.018 4.369 4.350 0.001 0.000 0.189 241 E C 0.367 177.018 176.600 0.085 0.000 1.054 241 E CA -0.367 55.980 56.400 -0.089 0.000 0.874 241 E CB -0.027 29.544 29.700 -0.215 0.000 1.011 241 E HN 0.750 nan 8.360 nan 0.000 0.474 242 Y N -1.036 119.307 120.300 0.070 0.000 2.453 242 Y HA 0.401 4.952 4.550 0.001 0.000 0.326 242 Y C -0.090 175.906 175.900 0.161 0.000 1.186 242 Y CA -1.434 56.709 58.100 0.070 0.000 1.200 242 Y CB 0.651 39.113 38.460 0.002 0.000 1.247 242 Y HN -0.199 nan 8.280 nan 0.000 0.482 243 D N 1.502 122.030 120.400 0.213 0.000 2.755 243 D HA -0.261 4.380 4.640 0.001 0.000 0.227 243 D C -1.007 175.372 176.300 0.132 0.000 1.211 243 D CA 1.025 55.123 54.000 0.163 0.000 0.663 243 D CB -1.028 39.903 40.800 0.219 0.000 0.983 243 D HN 0.680 nan 8.370 nan 0.000 0.407 244 N N 0.076 118.808 118.700 0.053 0.000 2.648 244 N HA 0.212 4.953 4.740 0.001 0.000 0.261 244 N C -2.114 173.341 175.510 -0.092 0.000 1.138 244 N CA -1.712 51.338 53.050 0.001 0.000 0.804 244 N CB 1.492 39.979 38.487 0.001 0.000 1.237 244 N HN -0.223 nan 8.380 nan 0.000 0.532 245 P HA -0.051 nan 4.420 nan 0.000 0.223 245 P C -0.054 176.844 177.300 -0.670 0.000 1.144 245 P CA 1.259 64.021 63.100 -0.563 0.000 0.783 245 P CB 0.025 31.191 31.700 -0.889 0.000 0.771 246 Y N -2.173 118.122 120.300 -0.009 0.000 2.555 246 Y HA 0.234 4.784 4.550 0.001 0.000 0.259 246 Y C 0.651 176.544 175.900 -0.012 0.000 1.179 246 Y CA -1.263 56.826 58.100 -0.018 0.000 1.230 246 Y CB -0.636 37.803 38.460 -0.034 0.000 1.146 246 Y HN -0.150 nan 8.280 nan 0.000 0.526 247 D N 0.774 121.220 120.400 0.076 0.000 2.434 247 D HA 0.051 4.692 4.640 0.001 0.000 0.252 247 D C 0.542 176.843 176.300 0.003 0.000 1.185 247 D CA 0.622 54.664 54.000 0.071 0.000 0.886 247 D CB 1.219 42.091 40.800 0.120 0.000 1.148 247 D HN 0.064 nan 8.370 nan 0.000 0.483 248 V N 3.395 123.183 119.914 -0.209 0.000 3.159 248 V HA 0.432 4.552 4.120 0.001 0.000 0.333 248 V C 1.169 176.514 176.094 -1.248 0.000 1.424 248 V CA 0.215 62.195 62.300 -0.534 0.000 1.125 248 V CB -0.448 31.253 31.823 -0.203 0.000 1.075 248 V HN 0.935 nan 8.190 nan 0.000 0.482 249 G N 1.793 109.973 108.800 -1.034 0.000 2.642 249 G HA2 -0.226 3.734 3.960 0.001 0.000 0.231 249 G HA3 -0.226 3.734 3.960 0.001 0.000 0.231 249 G C -0.332 174.161 174.900 -0.678 0.000 1.338 249 G CA 0.211 44.870 45.100 -0.734 0.000 0.883 249 G HN 0.662 nan 8.290 nan 0.000 0.570 250 M N -1.281 118.015 119.600 -0.507 0.000 2.811 250 M HA 0.908 5.388 4.480 0.001 0.000 0.303 250 M C 0.296 176.474 176.300 -0.203 0.000 1.227 250 M CA -0.152 54.822 55.300 -0.544 0.000 0.874 250 M CB 2.187 34.494 32.600 -0.488 0.000 1.681 250 M HN 0.922 nan 8.290 nan 0.000 0.500 251 T N -1.073 113.358 114.554 -0.205 0.000 2.604 251 T HA 0.902 5.252 4.350 0.001 0.000 0.267 251 T C 0.073 174.694 174.700 -0.132 0.000 0.923 251 T CA -0.187 61.862 62.100 -0.085 0.000 1.077 251 T CB 0.797 69.692 68.868 0.046 0.000 1.392 251 T HN 1.530 nan 8.240 nan 0.000 0.531 252 G N -0.301 108.235 108.800 -0.440 0.000 2.712 252 G HA2 0.009 3.969 3.960 0.001 0.000 0.683 252 G HA3 0.009 3.969 3.960 0.001 0.000 0.683 252 G C 0.255 174.886 174.900 -0.449 0.000 1.320 252 G CA -0.176 44.423 45.100 -0.834 0.000 0.847 252 G HN 0.963 nan 8.290 nan 0.000 0.553 253 L N 0.623 121.581 121.223 -0.441 0.000 2.051 253 L HA -0.075 4.266 4.340 0.001 0.000 0.214 253 L C 2.701 179.433 176.870 -0.229 0.000 1.076 253 L CA 3.217 57.877 54.840 -0.299 0.000 0.758 253 L CB -0.375 41.363 42.059 -0.534 0.000 0.890 253 L HN 0.984 nan 8.230 nan 0.000 0.433 254 I N -4.064 116.399 120.570 -0.178 0.000 3.793 254 I HA 0.324 4.495 4.170 0.001 0.000 0.315 254 I C 1.334 177.259 176.117 -0.320 0.000 1.275 254 I CA 0.331 61.512 61.300 -0.198 0.000 1.214 254 I CB -0.740 37.188 38.000 -0.120 0.000 1.018 254 I HN 0.129 nan 8.210 nan 0.000 0.439 255 G N 1.231 109.842 108.800 -0.315 0.000 2.829 255 G HA2 0.467 4.427 3.960 0.001 0.000 0.173 255 G HA3 0.467 4.427 3.960 0.001 0.000 0.173 255 G C -0.811 173.701 174.900 -0.647 0.000 1.476 255 G CA -0.451 44.388 45.100 -0.435 0.000 1.072 255 G HN 0.196 nan 8.290 nan 0.000 0.577 256 F N -0.987 118.989 119.950 0.044 0.000 2.563 256 F HA 0.352 4.879 4.527 0.001 0.000 0.316 256 F C 1.563 177.429 175.800 0.109 0.000 1.076 256 F CA -0.263 57.800 58.000 0.105 0.000 0.921 256 F CB 2.329 41.461 39.000 0.220 0.000 1.209 256 F HN 0.443 nan 8.300 nan 0.000 0.462 257 S N -0.136 115.746 115.700 0.303 0.000 2.387 257 S HA -0.252 4.219 4.470 0.001 0.000 0.230 257 S C 2.150 176.892 174.600 0.236 0.000 1.035 257 S CA 1.536 59.848 58.200 0.186 0.000 1.014 257 S CB -1.034 62.287 63.200 0.202 0.000 0.836 257 S HN 0.786 nan 8.310 nan 0.000 0.466 258 S N 2.634 118.547 115.700 0.356 0.000 2.378 258 S HA -0.143 4.328 4.470 0.001 0.000 0.229 258 S C 2.144 176.879 174.600 0.224 0.000 1.052 258 S CA 1.521 59.938 58.200 0.361 0.000 1.084 258 S CB -1.924 61.489 63.200 0.356 0.000 0.950 258 S HN 0.767 nan 8.310 nan 0.000 0.440 259 G N 0.642 109.507 108.800 0.107 0.000 2.440 259 G HA2 -0.157 3.803 3.960 0.001 0.000 0.218 259 G HA3 -0.157 3.803 3.960 0.001 0.000 0.218 259 G C 1.189 176.121 174.900 0.053 0.000 1.154 259 G CA 0.903 46.011 45.100 0.013 0.000 0.767 259 G HN 0.553 nan 8.290 nan 0.000 0.552 260 F N 1.277 121.206 119.950 -0.035 0.000 2.075 260 F HA -0.089 4.438 4.527 0.000 0.000 0.297 260 F C 2.736 178.442 175.800 -0.157 0.000 1.113 260 F CA 1.912 59.857 58.000 -0.092 0.000 1.218 260 F CB -0.365 38.515 39.000 -0.200 0.000 0.984 260 F HN 0.182 nan 8.300 nan 0.000 0.472 261 H N -0.418 118.593 119.070 -0.099 0.000 2.387 261 H HA -0.107 4.449 4.556 0.000 0.000 0.299 261 H C 2.268 177.209 175.328 -0.644 0.000 1.090 261 H CA 1.850 57.674 56.048 -0.372 0.000 1.332 261 H CB -1.095 28.646 29.762 -0.035 0.000 1.386 261 H HN 0.285 nan 8.280 nan 0.000 0.516 262 T N 1.056 115.481 114.554 -0.215 0.000 2.746 262 T HA -0.132 4.219 4.350 0.001 0.000 0.267 262 T C 2.279 176.925 174.700 -0.090 0.000 1.039 262 T CA 1.300 63.294 62.100 -0.177 0.000 1.142 262 T CB -0.133 68.761 68.868 0.044 0.000 0.866 262 T HN 0.281 nan 8.240 nan 0.000 0.444 263 M N 0.125 119.641 119.600 -0.140 0.000 2.288 263 M HA 0.092 4.572 4.480 0.001 0.000 0.266 263 M C 1.910 178.093 176.300 -0.195 0.000 1.072 263 M CA 0.956 56.200 55.300 -0.095 0.000 1.132 263 M CB -0.265 32.300 32.600 -0.058 0.000 1.386 263 M HN 0.146 nan 8.290 nan 0.000 0.432 264 M N -0.090 119.267 119.600 -0.405 0.000 2.630 264 M HA -0.023 4.458 4.480 0.001 0.000 0.254 264 M C 0.583 176.689 176.300 -0.323 0.000 1.092 264 M CA 0.992 56.045 55.300 -0.412 0.000 1.087 264 M CB -0.977 31.237 32.600 -0.643 0.000 1.453 264 M HN 0.225 nan 8.290 nan 0.000 0.509 265 N N 0.242 118.741 118.700 -0.336 0.000 2.235 265 N HA 0.268 5.009 4.740 0.001 0.000 0.231 265 N C -0.447 174.963 175.510 -0.166 0.000 1.177 265 N CA 0.061 52.950 53.050 -0.267 0.000 0.874 265 N CB 1.075 39.261 38.487 -0.501 0.000 1.097 265 N HN 0.112 nan 8.380 nan 0.000 0.518 266 A N 0.080 122.806 122.820 -0.157 0.000 2.312 266 A HA 0.398 4.718 4.320 0.001 0.000 0.326 266 A C 0.588 178.048 177.584 -0.207 0.000 1.172 266 A CA -0.492 51.393 52.037 -0.253 0.000 0.821 266 A CB 1.190 20.163 19.000 -0.044 0.000 1.166 266 A HN -0.048 nan 8.150 nan 0.000 0.493 267 D N 0.741 120.991 120.400 -0.250 0.000 2.123 267 D HA 0.009 4.650 4.640 0.001 0.000 0.200 267 D C 0.141 176.388 176.300 -0.089 0.000 0.976 267 D CA 1.742 55.655 54.000 -0.146 0.000 0.831 267 D CB 0.102 40.817 40.800 -0.142 0.000 0.974 267 D HN 0.502 nan 8.370 nan 0.000 0.469 268 T N 1.024 115.525 114.554 -0.088 0.000 2.841 268 T HA 0.459 4.809 4.350 0.001 0.000 0.285 268 T C -0.685 174.012 174.700 -0.004 0.000 0.991 268 T CA -0.636 61.444 62.100 -0.033 0.000 0.966 268 T CB 2.153 71.010 68.868 -0.018 0.000 0.962 268 T HN -0.132 nan 8.240 nan 0.000 0.438 269 L N 4.653 125.888 121.223 0.020 0.000 2.313 269 L HA 0.762 5.102 4.340 0.001 0.000 0.283 269 L C -1.153 175.752 176.870 0.059 0.000 1.013 269 L CA -0.544 54.331 54.840 0.057 0.000 0.816 269 L CB 1.380 43.485 42.059 0.078 0.000 1.236 269 L HN 0.443 nan 8.230 nan 0.000 0.419 270 V N 6.693 126.657 119.914 0.083 0.000 2.326 270 V HA 0.351 4.471 4.120 0.001 0.000 0.281 270 V C 0.079 176.225 176.094 0.087 0.000 1.015 270 V CA -0.593 61.757 62.300 0.083 0.000 0.823 270 V CB 1.224 33.123 31.823 0.127 0.000 1.009 270 V HN 0.613 nan 8.190 nan 0.000 0.436 271 L N 6.290 127.552 121.223 0.066 0.000 2.361 271 L HA 0.435 4.776 4.340 0.001 0.000 0.278 271 L C -0.420 176.483 176.870 0.055 0.000 1.113 271 L CA -0.028 54.860 54.840 0.080 0.000 0.849 271 L CB 0.435 42.538 42.059 0.073 0.000 1.155 271 L HN 0.432 nan 8.230 nan 0.000 0.452 272 L N 3.609 124.868 121.223 0.061 0.000 2.318 272 L HA 0.389 4.729 4.340 0.001 0.000 0.277 272 L C 0.817 177.709 176.870 0.036 0.000 1.008 272 L CA -0.570 54.288 54.840 0.029 0.000 0.846 272 L CB 1.517 43.588 42.059 0.021 0.000 1.220 272 L HN 0.899 nan 8.230 nan 0.000 0.423 273 G N 1.895 110.707 108.800 0.019 0.000 2.352 273 G HA2 -0.236 3.725 3.960 0.001 0.000 0.283 273 G HA3 -0.236 3.725 3.960 0.001 0.000 0.283 273 G C -0.012 174.924 174.900 0.060 0.000 0.946 273 G CA 0.861 45.972 45.100 0.019 0.000 1.317 273 G HN 0.638 nan 8.290 nan 0.000 0.478 274 T N -0.945 113.661 114.554 0.088 0.000 2.864 274 T HA 0.692 5.043 4.350 0.001 0.000 0.299 274 T C 0.176 174.984 174.700 0.180 0.000 1.166 274 T CA 0.107 62.294 62.100 0.146 0.000 1.007 274 T CB 1.904 70.883 68.868 0.186 0.000 1.219 274 T HN 0.505 nan 8.240 nan 0.000 0.506 275 Q N 2.034 121.966 119.800 0.219 0.000 1.983 275 Q HA 0.270 4.610 4.340 0.001 0.000 0.204 275 Q C -0.846 175.246 176.000 0.154 0.000 0.789 275 Q CA -0.483 55.462 55.803 0.238 0.000 1.007 275 Q CB 0.254 29.111 28.738 0.199 0.000 1.229 275 Q HN 0.660 nan 8.270 nan 0.000 0.431 276 F N 3.639 123.608 119.950 0.032 0.000 2.549 276 F HA 0.049 4.576 4.527 0.001 0.000 0.400 276 F C -1.804 173.827 175.800 -0.281 0.000 1.011 276 F CA -0.690 57.234 58.000 -0.127 0.000 1.148 276 F CB 1.079 40.053 39.000 -0.044 0.000 0.993 276 F HN 0.122 nan 8.300 nan 0.000 0.540 277 P HA 0.007 nan 4.420 nan 0.000 0.267 277 P C -0.879 175.727 177.300 -1.156 0.000 1.289 277 P CA 0.392 62.599 63.100 -1.490 0.000 0.866 277 P CB 0.049 30.973 31.700 -1.294 0.000 1.309 278 Y N 1.077 120.808 120.300 -0.948 0.000 2.636 278 Y HA 0.322 4.873 4.550 0.001 0.000 0.341 278 Y C 1.865 177.762 175.900 -0.004 0.000 1.169 278 Y CA -0.470 57.348 58.100 -0.470 0.000 1.498 278 Y CB -0.187 37.885 38.460 -0.645 0.000 1.362 278 Y HN -0.216 nan 8.280 nan 0.000 0.494 279 R N 1.507 122.152 120.500 0.242 0.000 2.159 279 R HA -0.165 4.176 4.340 0.001 0.000 0.237 279 R C 2.004 178.559 176.300 0.426 0.000 1.131 279 R CA 1.226 57.567 56.100 0.401 0.000 0.982 279 R CB -0.074 30.415 30.300 0.315 0.000 0.868 279 R HN 0.689 nan 8.270 nan 0.000 0.453 280 A N -0.183 122.874 122.820 0.395 0.000 2.209 280 A HA -0.036 4.285 4.320 0.001 0.000 0.212 280 A C 1.141 178.926 177.584 0.335 0.000 1.158 280 A CA 0.661 52.891 52.037 0.321 0.000 0.742 280 A CB -0.194 18.946 19.000 0.233 0.000 0.790 280 A HN 0.199 nan 8.150 nan 0.000 0.472 281 F N -1.819 118.296 119.950 0.275 0.000 2.732 281 F HA 0.278 4.807 4.527 0.002 0.000 0.303 281 F C -0.164 175.765 175.800 0.215 0.000 1.110 281 F CA -0.188 58.022 58.000 0.350 0.000 1.355 281 F CB -0.033 39.187 39.000 0.366 0.000 1.081 281 F HN 0.132 nan 8.300 nan 0.000 0.565 282 Y N 1.720 122.258 120.300 0.396 0.000 2.360 282 Y HA 0.374 4.925 4.550 0.000 0.000 0.337 282 Y C -1.922 174.044 175.900 0.111 0.000 1.039 282 Y CA -3.986 54.254 58.100 0.233 0.000 1.109 282 Y CB 0.430 39.032 38.460 0.237 0.000 1.201 282 Y HN -0.178 nan 8.280 nan 0.000 0.458 283 P HA -0.019 nan 4.420 nan 0.000 0.264 283 P C 0.344 177.693 177.300 0.082 0.000 1.183 283 P CA 0.330 63.471 63.100 0.069 0.000 0.763 283 P CB 1.032 32.747 31.700 0.025 0.000 0.807 284 T N -0.745 113.839 114.554 0.049 0.000 2.939 284 T HA -0.060 4.291 4.350 0.001 0.000 0.254 284 T C 0.477 175.189 174.700 0.019 0.000 1.041 284 T CA 0.791 62.918 62.100 0.046 0.000 1.142 284 T CB -0.475 68.420 68.868 0.044 0.000 0.874 284 T HN 0.452 nan 8.240 nan 0.000 0.452 285 D N 1.579 121.979 120.400 0.001 0.000 2.863 285 D HA 0.612 5.252 4.640 0.001 0.000 0.323 285 D C -0.511 175.774 176.300 -0.024 0.000 1.286 285 D CA -0.817 53.177 54.000 -0.011 0.000 0.921 285 D CB 0.102 40.894 40.800 -0.014 0.000 1.024 285 D HN 0.528 nan 8.370 nan 0.000 0.505 286 A N 0.820 123.630 122.820 -0.018 0.000 2.498 286 A HA 0.570 4.891 4.320 0.001 0.000 0.298 286 A C -0.311 177.263 177.584 -0.016 0.000 1.075 286 A CA -1.046 50.975 52.037 -0.027 0.000 0.714 286 A CB 1.522 20.504 19.000 -0.029 0.000 1.299 286 A HN 0.063 nan 8.150 nan 0.000 0.407 287 K N 1.874 122.264 120.400 -0.017 0.000 2.378 287 K HA 0.260 4.580 4.320 0.001 0.000 0.288 287 K C -0.804 175.791 176.600 -0.008 0.000 1.057 287 K CA 0.458 56.740 56.287 -0.009 0.000 0.971 287 K CB 0.323 32.822 32.500 -0.002 0.000 0.975 287 K HN 0.552 nan 8.250 nan 0.000 0.475 288 I N 5.543 126.103 120.570 -0.016 0.000 2.315 288 I HA 0.278 4.448 4.170 0.001 0.000 0.291 288 I C 0.248 176.351 176.117 -0.023 0.000 1.006 288 I CA -0.564 60.720 61.300 -0.026 0.000 1.265 288 I CB 0.700 38.659 38.000 -0.069 0.000 1.387 288 I HN 0.299 nan 8.210 nan 0.000 0.475 289 I N 6.417 126.982 120.570 -0.008 0.000 2.362 289 I HA 0.333 4.504 4.170 0.001 0.000 0.289 289 I C -0.279 175.835 176.117 -0.006 0.000 0.994 289 I CA -0.496 60.801 61.300 -0.004 0.000 1.158 289 I CB 1.641 39.649 38.000 0.013 0.000 1.315 289 I HN 0.588 nan 8.210 nan 0.000 0.451 290 Q N 6.849 126.639 119.800 -0.018 0.000 2.331 290 Q HA 0.622 4.962 4.340 0.001 0.000 0.267 290 Q C -1.446 174.543 176.000 -0.019 0.000 1.006 290 Q CA -0.597 55.197 55.803 -0.015 0.000 0.818 290 Q CB 2.004 30.726 28.738 -0.026 0.000 1.276 290 Q HN 0.622 nan 8.270 nan 0.000 0.450 291 I N 3.348 123.907 120.570 -0.019 0.000 2.404 291 I HA 0.474 4.644 4.170 0.001 0.000 0.293 291 I C -0.640 175.461 176.117 -0.027 0.000 0.992 291 I CA -0.518 60.762 61.300 -0.033 0.000 1.149 291 I CB 1.652 39.618 38.000 -0.057 0.000 1.315 291 I HN 0.608 nan 8.210 nan 0.000 0.446 292 D N 4.970 125.351 120.400 -0.031 0.000 2.706 292 D HA 0.183 4.824 4.640 0.001 0.000 0.225 292 D C 0.014 176.292 176.300 -0.037 0.000 1.241 292 D CA -0.471 53.511 54.000 -0.031 0.000 0.784 292 D CB 2.822 43.609 40.800 -0.022 0.000 1.521 292 D HN 0.288 nan 8.370 nan 0.000 0.461 293 I N 1.821 122.364 120.570 -0.044 0.000 2.928 293 I HA 0.015 4.185 4.170 0.001 0.000 0.266 293 I C 0.183 176.274 176.117 -0.043 0.000 1.234 293 I CA 0.782 62.056 61.300 -0.044 0.000 1.483 293 I CB -0.521 37.450 38.000 -0.048 0.000 1.097 293 I HN 0.269 nan 8.210 nan 0.000 0.455 294 N N 1.655 120.327 118.700 -0.047 0.000 2.479 294 N HA 0.252 4.993 4.740 0.001 0.000 0.261 294 N C -1.908 173.584 175.510 -0.029 0.000 0.979 294 N CA -2.208 50.818 53.050 -0.041 0.000 0.930 294 N CB 1.758 40.210 38.487 -0.059 0.000 1.172 294 N HN -0.143 nan 8.380 nan 0.000 0.499 295 P HA -0.142 nan 4.420 nan 0.000 0.217 295 P C 0.802 178.090 177.300 -0.019 0.000 1.148 295 P CA 1.014 64.102 63.100 -0.019 0.000 0.828 295 P CB 0.164 31.855 31.700 -0.015 0.000 0.783 296 A N -0.358 122.455 122.820 -0.012 0.000 2.178 296 A HA -0.072 4.248 4.320 0.001 0.000 0.218 296 A C 2.297 179.869 177.584 -0.022 0.000 1.157 296 A CA 1.448 53.479 52.037 -0.010 0.000 0.689 296 A CB -1.144 17.862 19.000 0.010 0.000 0.787 296 A HN 0.176 nan 8.150 nan 0.000 0.465 297 S N -0.413 115.274 115.700 -0.021 0.000 2.446 297 S HA 0.173 4.643 4.470 0.001 0.000 0.225 297 S C 0.716 175.299 174.600 -0.028 0.000 1.016 297 S CA -0.061 58.129 58.200 -0.016 0.000 0.943 297 S CB -0.194 63.001 63.200 -0.007 0.000 0.786 297 S HN 0.534 nan 8.310 nan 0.000 0.508 298 I N 2.511 123.062 120.570 -0.032 0.000 2.483 298 I HA 0.165 4.335 4.170 0.001 0.000 0.291 298 I C 1.337 177.424 176.117 -0.051 0.000 1.112 298 I CA 0.189 61.468 61.300 -0.035 0.000 1.350 298 I CB -0.281 37.701 38.000 -0.030 0.000 1.419 298 I HN 0.409 nan 8.210 nan 0.000 0.523 299 G N 4.670 113.434 108.800 -0.060 0.000 2.143 299 G HA2 -0.302 3.659 3.960 0.001 0.000 0.249 299 G HA3 -0.302 3.659 3.960 0.001 0.000 0.249 299 G C 1.005 175.840 174.900 -0.108 0.000 0.981 299 G CA 0.261 45.317 45.100 -0.074 0.000 0.665 299 G HN 0.781 nan 8.290 nan 0.000 0.528 300 A N -0.671 122.047 122.820 -0.170 0.000 2.015 300 A HA 0.160 4.480 4.320 0.001 0.000 0.219 300 A C 1.664 178.907 177.584 -0.568 0.000 1.163 300 A CA 2.036 53.843 52.037 -0.383 0.000 0.646 300 A CB -0.273 18.435 19.000 -0.487 0.000 0.806 300 A HN 0.691 nan 8.150 nan 0.000 0.448 301 H N -1.945 117.143 119.070 0.030 0.000 3.540 301 H HA 0.237 4.793 4.556 0.001 0.000 0.259 301 H C 0.014 175.386 175.328 0.073 0.000 1.197 301 H CA 0.597 56.699 56.048 0.090 0.000 1.136 301 H CB 0.293 30.157 29.762 0.170 0.000 1.605 301 H HN 0.590 nan 8.280 nan 0.000 0.657 302 S N 0.249 115.945 115.700 -0.008 0.000 2.656 302 S HA 0.451 4.922 4.470 0.001 0.000 0.273 302 S C -0.699 173.847 174.600 -0.090 0.000 1.168 302 S CA -1.093 57.030 58.200 -0.129 0.000 0.817 302 S CB 2.791 65.636 63.200 -0.592 0.000 1.146 302 S HN 0.269 nan 8.310 nan 0.000 0.475 303 K N 0.048 120.405 120.400 -0.071 0.000 2.138 303 K HA 0.693 5.013 4.320 0.001 0.000 0.251 303 K C -1.032 175.524 176.600 -0.073 0.000 1.015 303 K CA -0.786 55.472 56.287 -0.049 0.000 0.917 303 K CB 0.705 33.191 32.500 -0.023 0.000 1.021 303 K HN 0.401 nan 8.250 nan 0.000 0.485 304 V N 2.394 122.278 119.914 -0.050 0.000 2.482 304 V HA 0.064 4.185 4.120 0.001 0.000 0.295 304 V C -0.245 175.831 176.094 -0.029 0.000 1.026 304 V CA -0.721 61.550 62.300 -0.048 0.000 0.856 304 V CB 1.406 33.202 31.823 -0.046 0.000 1.001 304 V HN 0.909 nan 8.190 nan 0.000 0.424 305 D N 3.252 123.637 120.400 -0.025 0.000 2.183 305 D HA 0.087 4.728 4.640 0.001 0.000 0.205 305 D C 0.513 176.806 176.300 -0.011 0.000 0.962 305 D CA 1.094 55.086 54.000 -0.014 0.000 0.849 305 D CB 0.739 41.534 40.800 -0.009 0.000 0.978 305 D HN 0.408 nan 8.370 nan 0.000 0.488 306 M N 0.653 120.245 119.600 -0.014 0.000 2.267 306 M HA 0.479 4.960 4.480 0.001 0.000 0.289 306 M C -2.046 174.243 176.300 -0.018 0.000 1.043 306 M CA -0.467 54.825 55.300 -0.013 0.000 0.928 306 M CB 2.464 35.059 32.600 -0.008 0.000 1.613 306 M HN -0.188 nan 8.290 nan 0.000 0.450 307 A N 5.118 127.926 122.820 -0.020 0.000 2.331 307 A HA 0.832 5.153 4.320 0.001 0.000 0.320 307 A C -1.764 175.806 177.584 -0.024 0.000 1.138 307 A CA -0.584 51.439 52.037 -0.023 0.000 0.790 307 A CB 0.939 19.924 19.000 -0.024 0.000 1.206 307 A HN 0.710 nan 8.150 nan 0.000 0.470 308 L N 2.631 123.837 121.223 -0.028 0.000 2.376 308 L HA 0.414 4.755 4.340 0.001 0.000 0.275 308 L C -0.186 176.664 176.870 -0.034 0.000 0.987 308 L CA -0.469 54.352 54.840 -0.032 0.000 0.828 308 L CB 1.612 43.648 42.059 -0.039 0.000 1.249 308 L HN 0.388 nan 8.230 nan 0.000 0.409 309 V N 2.695 122.590 119.914 -0.031 0.000 2.479 309 V HA 0.722 4.842 4.120 0.001 0.000 0.281 309 V C 0.784 176.856 176.094 -0.036 0.000 1.031 309 V CA 0.326 62.607 62.300 -0.031 0.000 1.038 309 V CB 0.447 32.254 31.823 -0.027 0.000 0.981 309 V HN 0.931 nan 8.190 nan 0.000 0.478 310 G N 3.445 112.221 108.800 -0.040 0.000 2.596 310 G HA2 0.389 4.349 3.960 0.001 0.000 0.296 310 G HA3 0.389 4.349 3.960 0.001 0.000 0.296 310 G C -1.504 173.367 174.900 -0.048 0.000 1.513 310 G CA -0.868 44.205 45.100 -0.045 0.000 0.851 310 G HN 0.674 nan 8.290 nan 0.000 0.548 311 D N 1.699 122.072 120.400 -0.045 0.000 2.401 311 D HA 0.122 4.763 4.640 0.001 0.000 0.254 311 D C 1.769 178.035 176.300 -0.056 0.000 1.192 311 D CA -0.527 53.447 54.000 -0.044 0.000 0.885 311 D CB 0.493 41.273 40.800 -0.034 0.000 1.147 311 D HN 0.126 nan 8.370 nan 0.000 0.478 312 I N 3.954 124.489 120.570 -0.058 0.000 2.194 312 I HA -0.256 3.915 4.170 0.001 0.000 0.246 312 I C 2.159 178.228 176.117 -0.080 0.000 1.093 312 I CA 1.376 62.630 61.300 -0.076 0.000 1.355 312 I CB -0.897 37.067 38.000 -0.060 0.000 1.046 312 I HN 0.659 nan 8.210 nan 0.000 0.413 313 K N 1.162 121.530 120.400 -0.052 0.000 1.985 313 K HA -0.188 4.133 4.320 0.001 0.000 0.210 313 K C 2.378 178.949 176.600 -0.048 0.000 1.047 313 K CA 2.263 58.527 56.287 -0.039 0.000 0.932 313 K CB -0.052 32.439 32.500 -0.015 0.000 0.716 313 K HN 0.371 nan 8.250 nan 0.000 0.439 314 S N -0.262 115.413 115.700 -0.042 0.000 2.402 314 S HA -0.102 4.368 4.470 0.001 0.000 0.229 314 S C 1.912 176.476 174.600 -0.059 0.000 1.021 314 S CA 1.662 59.838 58.200 -0.040 0.000 0.974 314 S CB -0.593 62.589 63.200 -0.030 0.000 0.800 314 S HN 0.351 nan 8.310 nan 0.000 0.484 315 T N 3.222 117.728 114.554 -0.080 0.000 2.737 315 T HA 0.112 4.463 4.350 0.001 0.000 0.265 315 T C 1.748 176.358 174.700 -0.150 0.000 1.038 315 T CA 1.507 63.543 62.100 -0.107 0.000 1.144 315 T CB -0.535 68.261 68.868 -0.120 0.000 0.866 315 T HN 0.323 nan 8.240 nan 0.000 0.434 316 L N 0.270 121.381 121.223 -0.188 0.000 2.083 316 L HA -0.052 4.289 4.340 0.001 0.000 0.209 316 L C 2.911 179.706 176.870 -0.125 0.000 1.083 316 L CA 1.199 55.890 54.840 -0.248 0.000 0.752 316 L CB -0.504 41.398 42.059 -0.261 0.000 0.899 316 L HN 0.163 nan 8.230 nan 0.000 0.433 317 R N -0.013 120.442 120.500 -0.076 0.000 2.083 317 R HA -0.187 4.154 4.340 0.001 0.000 0.237 317 R C 2.353 178.633 176.300 -0.033 0.000 1.137 317 R CA 1.700 57.778 56.100 -0.036 0.000 0.951 317 R CB -0.364 29.922 30.300 -0.024 0.000 0.851 317 R HN 0.379 nan 8.270 nan 0.000 0.434 318 A N 0.163 122.955 122.820 -0.047 0.000 1.975 318 A HA -0.050 4.271 4.320 0.001 0.000 0.215 318 A C 1.917 179.478 177.584 -0.038 0.000 1.170 318 A CA 0.523 52.538 52.037 -0.037 0.000 0.656 318 A CB -0.161 18.815 19.000 -0.039 0.000 0.821 318 A HN 0.221 nan 8.150 nan 0.000 0.449 319 L N -0.278 120.906 121.223 -0.066 0.000 2.156 319 L HA 0.027 4.368 4.340 0.001 0.000 0.208 319 L C 2.147 179.022 176.870 0.009 0.000 1.095 319 L CA 1.207 56.013 54.840 -0.057 0.000 0.770 319 L CB -0.427 41.543 42.059 -0.148 0.000 0.914 319 L HN 0.381 nan 8.230 nan 0.000 0.439 320 L N -0.058 121.178 121.223 0.021 0.000 1.990 320 L HA -0.189 4.151 4.340 0.001 0.000 0.213 320 L C -0.251 176.650 176.870 0.050 0.000 1.072 320 L CA 1.581 56.466 54.840 0.076 0.000 0.755 320 L CB -1.872 40.227 42.059 0.067 0.000 0.889 320 L HN 0.237 nan 8.230 nan 0.000 0.432 321 P HA -0.131 nan 4.420 nan 0.000 0.225 321 P C 1.453 178.761 177.300 0.013 0.000 1.148 321 P CA 1.233 64.343 63.100 0.017 0.000 0.779 321 P CB 0.057 31.762 31.700 0.009 0.000 0.780 322 L N -2.355 118.875 121.223 0.013 0.000 2.567 322 L HA 0.107 4.448 4.340 0.001 0.000 0.225 322 L C 0.353 177.226 176.870 0.005 0.000 1.119 322 L CA 0.061 54.903 54.840 0.003 0.000 0.871 322 L CB 0.186 42.241 42.059 -0.007 0.000 1.036 322 L HN -0.254 nan 8.230 nan 0.000 0.459 323 V N 1.433 121.364 119.914 0.028 0.000 2.357 323 V HA 0.125 4.246 4.120 0.001 0.000 0.284 323 V C 0.160 176.259 176.094 0.008 0.000 1.018 323 V CA -0.860 61.457 62.300 0.028 0.000 0.841 323 V CB 1.361 33.241 31.823 0.095 0.000 0.991 323 V HN 0.287 nan 8.190 nan 0.000 0.437 324 E N 4.172 124.366 120.200 -0.010 0.000 2.366 324 E HA 0.297 4.647 4.350 0.001 0.000 0.266 324 E C -0.429 176.159 176.600 -0.019 0.000 1.051 324 E CA -0.681 55.713 56.400 -0.009 0.000 0.884 324 E CB 1.145 30.840 29.700 -0.008 0.000 1.006 324 E HN 0.595 nan 8.360 nan 0.000 0.417 325 E N 2.362 122.554 120.200 -0.014 0.000 2.415 325 E HA -0.009 4.341 4.350 0.001 0.000 0.260 325 E C -0.505 176.083 176.600 -0.021 0.000 1.016 325 E CA 0.362 56.749 56.400 -0.022 0.000 0.924 325 E CB 0.616 30.311 29.700 -0.009 0.000 0.961 325 E HN 0.308 nan 8.360 nan 0.000 0.459 326 K N 1.416 121.795 120.400 -0.035 0.000 2.205 326 K HA 0.261 4.582 4.320 0.001 0.000 0.279 326 K C 0.513 177.108 176.600 -0.009 0.000 1.027 326 K CA -0.235 56.039 56.287 -0.021 0.000 0.932 326 K CB 1.454 33.935 32.500 -0.031 0.000 1.032 326 K HN 0.481 nan 8.250 nan 0.000 0.466 327 A N 2.107 124.929 122.820 0.004 0.000 2.014 327 A HA -0.030 4.291 4.320 0.001 0.000 0.210 327 A C 0.495 178.091 177.584 0.021 0.000 1.188 327 A CA 0.358 52.402 52.037 0.012 0.000 0.731 327 A CB 0.016 19.023 19.000 0.012 0.000 0.858 327 A HN 0.767 nan 8.150 nan 0.000 0.464 328 D N 1.140 121.554 120.400 0.023 0.000 2.472 328 D HA 0.099 4.739 4.640 0.001 0.000 0.248 328 D C 0.791 177.123 176.300 0.053 0.000 1.174 328 D CA 0.301 54.323 54.000 0.036 0.000 0.883 328 D CB 0.279 41.101 40.800 0.036 0.000 1.149 328 D HN 0.496 nan 8.370 nan 0.000 0.488 329 R N 2.774 123.310 120.500 0.060 0.000 2.668 329 R HA 0.189 4.530 4.340 0.001 0.000 0.435 329 R C 1.139 177.486 176.300 0.077 0.000 1.059 329 R CA -0.644 55.503 56.100 0.078 0.000 1.073 329 R CB 0.087 30.424 30.300 0.063 0.000 1.401 329 R HN 0.190 nan 8.270 nan 0.000 0.590 330 K N 0.713 121.167 120.400 0.091 0.000 2.057 330 K HA -0.147 4.174 4.320 0.001 0.000 0.207 330 K C 1.189 177.861 176.600 0.120 0.000 1.049 330 K CA 1.430 57.764 56.287 0.078 0.000 0.931 330 K CB -0.133 32.415 32.500 0.081 0.000 0.714 330 K HN 0.226 nan 8.250 nan 0.000 0.440 331 F N 1.858 121.835 119.950 0.045 0.000 2.075 331 F HA -0.217 4.311 4.527 0.001 0.000 0.297 331 F C 1.900 177.756 175.800 0.094 0.000 1.113 331 F CA 1.355 59.419 58.000 0.106 0.000 1.218 331 F CB -0.670 38.404 39.000 0.123 0.000 0.984 331 F HN 0.096 nan 8.300 nan 0.000 0.472 332 L N 0.731 121.953 121.223 -0.001 0.000 2.012 332 L HA -0.212 4.128 4.340 0.001 0.000 0.210 332 L C 1.990 178.787 176.870 -0.121 0.000 1.073 332 L CA 2.238 57.021 54.840 -0.095 0.000 0.748 332 L CB -1.328 40.767 42.059 0.060 0.000 0.891 332 L HN 0.082 nan 8.230 nan 0.000 0.431 333 D N -0.273 120.081 120.400 -0.077 0.000 2.097 333 D HA -0.215 4.425 4.640 0.001 0.000 0.195 333 D C 2.129 178.314 176.300 -0.193 0.000 0.989 333 D CA 1.476 55.416 54.000 -0.100 0.000 0.827 333 D CB -0.084 40.676 40.800 -0.066 0.000 0.966 333 D HN 0.277 nan 8.370 nan 0.000 0.456 334 K N 1.379 121.612 120.400 -0.277 0.000 2.103 334 K HA -0.084 4.237 4.320 0.001 0.000 0.207 334 K C 1.757 177.948 176.600 -0.682 0.000 1.048 334 K CA 1.597 57.575 56.287 -0.514 0.000 0.930 334 K CB -0.524 31.595 32.500 -0.634 0.000 0.716 334 K HN 0.023 nan 8.250 nan 0.000 0.444 335 A N 0.733 123.226 122.820 -0.544 0.000 1.841 335 A HA -0.066 4.255 4.320 0.001 0.000 0.214 335 A C 2.269 179.792 177.584 -0.101 0.000 1.195 335 A CA 1.656 53.536 52.037 -0.261 0.000 0.611 335 A CB -0.857 18.049 19.000 -0.157 0.000 0.835 335 A HN 0.309 nan 8.150 nan 0.000 0.443 336 L N -0.619 120.551 121.223 -0.088 0.000 2.021 336 L HA -0.282 4.059 4.340 0.001 0.000 0.215 336 L C 2.677 179.534 176.870 -0.022 0.000 1.074 336 L CA 2.002 56.839 54.840 -0.005 0.000 0.760 336 L CB -0.557 41.483 42.059 -0.031 0.000 0.889 336 L HN 0.498 nan 8.230 nan 0.000 0.433 337 E N 0.287 120.423 120.200 -0.107 0.000 2.070 337 E HA -0.294 4.057 4.350 0.001 0.000 0.197 337 E C 1.902 178.447 176.600 -0.091 0.000 1.004 337 E CA 1.803 58.131 56.400 -0.121 0.000 0.805 337 E CB -0.324 29.270 29.700 -0.176 0.000 0.744 337 E HN 0.400 nan 8.360 nan 0.000 0.451 338 D N -1.298 119.041 120.400 -0.101 0.000 2.123 338 D HA -0.207 4.433 4.640 0.001 0.000 0.196 338 D C 1.789 178.169 176.300 0.133 0.000 0.992 338 D CA 1.105 55.116 54.000 0.018 0.000 0.833 338 D CB -0.203 40.660 40.800 0.106 0.000 0.954 338 D HN 0.290 nan 8.370 nan 0.000 0.455 339 Y N 2.017 122.309 120.300 -0.014 0.000 2.200 339 Y HA -0.082 4.468 4.550 0.001 0.000 0.290 339 Y C 2.437 178.267 175.900 -0.117 0.000 1.137 339 Y CA 1.399 59.471 58.100 -0.046 0.000 1.163 339 Y CB -0.345 38.085 38.460 -0.051 0.000 0.988 339 Y HN -0.120 nan 8.280 nan 0.000 0.518 340 R N -0.230 120.145 120.500 -0.209 0.000 2.073 340 R HA -0.178 4.163 4.340 0.001 0.000 0.234 340 R C 1.932 178.104 176.300 -0.213 0.000 1.134 340 R CA 1.605 57.525 56.100 -0.300 0.000 0.952 340 R CB -0.588 29.601 30.300 -0.186 0.000 0.850 340 R HN 0.284 nan 8.270 nan 0.000 0.433 341 D N 0.238 120.571 120.400 -0.111 0.000 2.218 341 D HA -0.094 4.546 4.640 0.001 0.000 0.204 341 D C 1.585 177.864 176.300 -0.035 0.000 0.976 341 D CA 1.208 55.171 54.000 -0.062 0.000 0.853 341 D CB 0.077 40.860 40.800 -0.029 0.000 0.939 341 D HN 0.261 nan 8.370 nan 0.000 0.481 342 A N 0.286 123.089 122.820 -0.028 0.000 1.930 342 A HA -0.058 4.263 4.320 0.001 0.000 0.215 342 A C 1.982 179.535 177.584 -0.053 0.000 1.176 342 A CA 0.574 52.641 52.037 0.049 0.000 0.632 342 A CB -0.280 18.839 19.000 0.199 0.000 0.819 342 A HN 0.188 nan 8.150 nan 0.000 0.445 343 R N 0.329 120.625 120.500 -0.339 0.000 2.369 343 R HA 0.012 4.352 4.340 0.001 0.000 0.200 343 R C 0.396 176.612 176.300 -0.139 0.000 1.046 343 R CA 0.252 56.115 56.100 -0.395 0.000 1.057 343 R CB -0.489 29.438 30.300 -0.622 0.000 0.888 343 R HN 0.373 nan 8.270 nan 0.000 0.474 344 K N 0.952 121.308 120.400 -0.074 0.000 2.412 344 K HA 0.013 4.333 4.320 0.001 0.000 0.284 344 K C 0.701 177.320 176.600 0.031 0.000 1.046 344 K CA 0.887 57.160 56.287 -0.023 0.000 0.999 344 K CB 0.341 32.833 32.500 -0.013 0.000 0.941 344 K HN 0.331 nan 8.250 nan 0.000 0.474 345 G N 3.399 112.219 108.800 0.033 0.000 2.176 345 G HA2 -0.245 3.716 3.960 0.001 0.000 0.232 345 G HA3 -0.245 3.716 3.960 0.001 0.000 0.232 345 G C 0.432 175.397 174.900 0.109 0.000 0.986 345 G CA 0.127 45.263 45.100 0.061 0.000 0.643 345 G HN 0.594 nan 8.290 nan 0.000 0.522 346 L N 1.187 122.482 121.223 0.121 0.000 2.083 346 L HA 0.168 4.508 4.340 0.001 0.000 0.209 346 L C 2.060 179.066 176.870 0.228 0.000 1.083 346 L CA 2.929 57.883 54.840 0.190 0.000 0.752 346 L CB -0.400 41.729 42.059 0.116 0.000 0.899 346 L HN 0.279 nan 8.230 nan 0.000 0.433 347 D N -1.203 119.274 120.400 0.129 0.000 2.289 347 D HA -0.103 4.537 4.640 0.001 0.000 0.207 347 D C 1.612 177.933 176.300 0.035 0.000 0.966 347 D CA 0.566 54.625 54.000 0.098 0.000 0.868 347 D CB -0.055 40.772 40.800 0.045 0.000 0.943 347 D HN 0.264 nan 8.370 nan 0.000 0.514 348 D N 0.394 120.809 120.400 0.024 0.000 2.303 348 D HA -0.195 4.446 4.640 0.001 0.000 0.190 348 D C 1.689 177.923 176.300 -0.111 0.000 1.011 348 D CA 1.081 55.064 54.000 -0.029 0.000 0.860 348 D CB -0.192 40.603 40.800 -0.008 0.000 0.961 348 D HN 0.237 nan 8.370 nan 0.000 0.453 349 L N -0.464 120.679 121.223 -0.132 0.000 2.585 349 L HA 0.262 4.603 4.340 0.001 0.000 0.226 349 L C 1.122 177.822 176.870 -0.282 0.000 1.113 349 L CA 0.043 54.664 54.840 -0.364 0.000 0.876 349 L CB 0.003 41.831 42.059 -0.385 0.000 1.072 349 L HN -0.070 nan 8.230 nan 0.000 0.468 350 A N 2.016 124.771 122.820 -0.107 0.000 2.958 350 A HA 0.165 4.486 4.320 0.001 0.000 0.247 350 A C 0.349 177.940 177.584 0.011 0.000 1.679 350 A CA 0.082 52.094 52.037 -0.041 0.000 1.345 350 A CB -0.873 18.125 19.000 -0.003 0.000 1.013 350 A HN 0.372 nan 8.150 nan 0.000 0.641 351 K N -0.643 119.642 120.400 -0.193 0.000 2.536 351 K HA 0.582 4.902 4.320 0.001 0.000 0.269 351 K C -3.426 172.649 176.600 -0.875 0.000 0.965 351 K CA -2.283 53.734 56.287 -0.449 0.000 0.860 351 K CB 1.302 33.660 32.500 -0.237 0.000 1.423 351 K HN -0.064 nan 8.250 nan 0.000 0.438 352 P HA -0.079 nan 4.420 nan 0.000 0.266 352 P C -0.594 176.507 177.300 -0.333 0.000 1.193 352 P CA 0.169 62.800 63.100 -0.782 0.000 0.770 352 P CB 0.882 32.331 31.700 -0.418 0.000 0.836 353 S N 0.133 115.725 115.700 -0.180 0.000 2.595 353 S HA 0.273 4.744 4.470 0.001 0.000 0.281 353 S C 0.908 175.482 174.600 -0.043 0.000 1.117 353 S CA -0.487 57.679 58.200 -0.056 0.000 0.873 353 S CB 1.768 65.016 63.200 0.079 0.000 1.108 353 S HN 0.327 nan 8.310 nan 0.000 0.477 354 E N 2.204 122.389 120.200 -0.024 0.000 2.046 354 E HA 0.100 4.450 4.350 0.001 0.000 0.190 354 E C 0.740 177.324 176.600 -0.027 0.000 0.982 354 E CA 1.667 58.052 56.400 -0.024 0.000 0.800 354 E CB 0.060 29.750 29.700 -0.016 0.000 0.756 354 E HN 0.600 nan 8.360 nan 0.000 0.449 355 K N -0.321 120.062 120.400 -0.028 0.000 2.779 355 K HA 0.553 4.873 4.320 0.001 0.000 0.272 355 K C 0.313 176.869 176.600 -0.074 0.000 0.983 355 K CA -0.237 56.024 56.287 -0.043 0.000 1.543 355 K CB -0.239 32.239 32.500 -0.037 0.000 2.262 355 K HN 0.095 nan 8.250 nan 0.000 0.837 356 A N 1.220 123.976 122.820 -0.107 0.000 2.536 356 A HA 0.078 4.399 4.320 0.001 0.000 0.234 356 A C 0.152 177.614 177.584 -0.202 0.000 1.076 356 A CA 0.214 52.167 52.037 -0.140 0.000 0.769 356 A CB -0.570 18.342 19.000 -0.146 0.000 1.020 356 A HN 0.445 nan 8.150 nan 0.000 0.508 357 I N 2.339 122.822 120.570 -0.146 0.000 2.416 357 I HA 0.138 4.308 4.170 0.001 0.000 0.288 357 I C 0.169 176.197 176.117 -0.149 0.000 1.051 357 I CA -0.223 61.022 61.300 -0.092 0.000 1.375 357 I CB 0.326 38.306 38.000 -0.033 0.000 1.407 357 I HN 0.567 nan 8.210 nan 0.000 0.516 358 H N 7.550 126.605 119.070 -0.025 0.000 2.767 358 H HA 0.101 4.658 4.556 0.001 0.000 0.316 358 H C -1.582 173.655 175.328 -0.153 0.000 1.059 358 H CA -1.427 54.577 56.048 -0.074 0.000 1.461 358 H CB 1.171 30.881 29.762 -0.088 0.000 1.475 358 H HN 0.370 nan 8.280 nan 0.000 0.531 359 P HA -0.226 nan 4.420 nan 0.000 0.216 359 P C 1.676 178.606 177.300 -0.617 0.000 1.153 359 P CA 1.444 64.341 63.100 -0.337 0.000 0.858 359 P CB 0.330 31.717 31.700 -0.521 0.000 0.789 360 Q N -1.405 117.904 119.800 -0.817 0.000 2.084 360 Q HA -0.232 4.109 4.340 0.001 0.000 0.202 360 Q C 2.157 177.757 176.000 -0.667 0.000 0.978 360 Q CA 1.561 56.821 55.803 -0.906 0.000 0.844 360 Q CB -1.817 26.568 28.738 -0.589 0.000 0.898 360 Q HN 0.300 nan 8.270 nan 0.000 0.426 361 Y N 2.203 122.254 120.300 -0.414 0.000 2.097 361 Y HA -0.247 4.303 4.550 0.001 0.000 0.282 361 Y C 2.310 178.076 175.900 -0.223 0.000 1.152 361 Y CA 1.374 59.318 58.100 -0.260 0.000 1.136 361 Y CB -0.678 37.708 38.460 -0.124 0.000 0.975 361 Y HN 0.133 nan 8.280 nan 0.000 0.498 362 L N 0.774 121.803 121.223 -0.324 0.000 1.990 362 L HA -0.210 4.131 4.340 0.001 0.000 0.213 362 L C 2.480 179.203 176.870 -0.245 0.000 1.072 362 L CA 2.504 57.115 54.840 -0.381 0.000 0.755 362 L CB -1.558 40.228 42.059 -0.455 0.000 0.889 362 L HN 0.300 nan 8.230 nan 0.000 0.432 363 A N -1.249 121.482 122.820 -0.149 0.000 1.883 363 A HA -0.314 4.007 4.320 0.001 0.000 0.217 363 A C 2.329 179.890 177.584 -0.037 0.000 1.186 363 A CA 1.926 53.984 52.037 0.035 0.000 0.624 363 A CB -0.820 18.271 19.000 0.151 0.000 0.822 363 A HN 0.691 nan 8.150 nan 0.000 0.444 364 Q N -1.140 118.510 119.800 -0.250 0.000 2.096 364 Q HA -0.259 4.082 4.340 0.001 0.000 0.204 364 Q C 2.138 178.112 176.000 -0.043 0.000 0.982 364 Q CA 1.819 57.560 55.803 -0.102 0.000 0.850 364 Q CB -0.135 28.511 28.738 -0.154 0.000 0.901 364 Q HN 0.655 nan 8.270 nan 0.000 0.422 365 Q N 0.026 119.745 119.800 -0.134 0.000 2.172 365 Q HA -0.074 4.266 4.340 0.001 0.000 0.200 365 Q C 2.133 178.252 176.000 0.198 0.000 0.964 365 Q CA 0.903 56.698 55.803 -0.014 0.000 0.855 365 Q CB -0.129 28.516 28.738 -0.156 0.000 0.918 365 Q HN 0.515 nan 8.270 nan 0.000 0.444 366 I N 0.441 121.112 120.570 0.168 0.000 2.142 366 I HA -0.262 3.908 4.170 0.001 0.000 0.240 366 I C 2.523 178.862 176.117 0.371 0.000 1.078 366 I CA 1.298 62.806 61.300 0.347 0.000 1.343 366 I CB -0.357 37.839 38.000 0.326 0.000 1.046 366 I HN 0.138 nan 8.210 nan 0.000 0.405 367 S N -0.431 115.392 115.700 0.205 0.000 2.419 367 S HA -0.284 4.187 4.470 0.001 0.000 0.235 367 S C 2.126 176.836 174.600 0.182 0.000 1.019 367 S CA 1.481 59.766 58.200 0.141 0.000 0.982 367 S CB -0.541 62.696 63.200 0.063 0.000 0.789 367 S HN 0.526 nan 8.310 nan 0.000 0.490 368 H N -1.279 117.789 119.070 -0.003 0.000 2.343 368 H HA -0.004 4.552 4.556 0.001 0.000 0.303 368 H C 1.239 176.460 175.328 -0.178 0.000 1.068 368 H CA 1.624 57.559 56.048 -0.189 0.000 1.359 368 H CB -0.133 29.357 29.762 -0.454 0.000 1.402 368 H HN 0.555 nan 8.280 nan 0.000 0.515 369 F N 1.088 121.074 119.950 0.060 0.000 2.743 369 F HA 0.279 4.806 4.527 0.001 0.000 0.297 369 F C 1.568 177.537 175.800 0.282 0.000 1.131 369 F CA 0.333 58.382 58.000 0.082 0.000 1.426 369 F CB -0.170 38.913 39.000 0.138 0.000 1.116 369 F HN 0.111 nan 8.300 nan 0.000 0.583 370 A N 0.776 123.833 122.820 0.394 0.000 2.386 370 A HA 0.579 4.899 4.320 0.001 0.000 0.246 370 A C 0.642 178.173 177.584 -0.088 0.000 1.089 370 A CA -0.153 51.826 52.037 -0.097 0.000 0.790 370 A CB -0.217 18.860 19.000 0.129 0.000 1.042 370 A HN 0.237 nan 8.150 nan 0.000 0.497 371 A N 0.619 123.281 122.820 -0.264 0.000 2.483 371 A HA 0.316 4.636 4.320 0.001 0.000 0.238 371 A C 1.143 178.691 177.584 -0.061 0.000 1.070 371 A CA 0.379 52.325 52.037 -0.152 0.000 0.770 371 A CB 0.073 18.948 19.000 -0.209 0.000 1.008 371 A HN 0.959 nan 8.150 nan 0.000 0.497 372 D N 0.939 121.321 120.400 -0.030 0.000 2.350 372 D HA -0.151 4.489 4.640 0.001 0.000 0.216 372 D C 0.277 176.566 176.300 -0.018 0.000 0.968 372 D CA 1.300 55.299 54.000 -0.001 0.000 0.894 372 D CB 0.076 40.873 40.800 -0.005 0.000 0.909 372 D HN 0.622 nan 8.370 nan 0.000 0.520 373 D N -0.315 120.052 120.400 -0.055 0.000 2.599 373 D HA 0.216 4.857 4.640 0.001 0.000 0.249 373 D C 0.121 176.350 176.300 -0.119 0.000 1.313 373 D CA -0.590 53.369 54.000 -0.068 0.000 0.815 373 D CB -0.232 40.527 40.800 -0.067 0.000 1.077 373 D HN 0.152 nan 8.370 nan 0.000 0.492 374 A N 0.803 123.508 122.820 -0.191 0.000 2.483 374 A HA 0.401 4.722 4.320 0.001 0.000 0.238 374 A C 0.434 177.753 177.584 -0.443 0.000 1.070 374 A CA -0.144 51.644 52.037 -0.415 0.000 0.770 374 A CB 0.150 18.717 19.000 -0.723 0.000 1.008 374 A HN 0.386 nan 8.150 nan 0.000 0.497 375 I N 2.433 122.757 120.570 -0.410 0.000 2.297 375 I HA 0.240 4.411 4.170 0.001 0.000 0.291 375 I C -0.807 175.107 176.117 -0.339 0.000 1.033 375 I CA 0.024 61.174 61.300 -0.250 0.000 1.253 375 I CB 0.220 38.147 38.000 -0.122 0.000 1.396 375 I HN 0.470 nan 8.210 nan 0.000 0.476 376 F N 3.787 123.749 119.950 0.021 0.000 2.377 376 F HA 0.532 5.060 4.527 0.001 0.000 0.328 376 F C 0.915 176.742 175.800 0.046 0.000 1.094 376 F CA -0.446 57.583 58.000 0.048 0.000 1.093 376 F CB 1.660 40.709 39.000 0.082 0.000 1.214 376 F HN 0.375 nan 8.300 nan 0.000 0.518 377 T N -0.970 113.719 114.554 0.226 0.000 2.909 377 T HA 0.678 5.029 4.350 0.001 0.000 0.299 377 T C -1.148 173.619 174.700 0.111 0.000 1.073 377 T CA -0.978 61.190 62.100 0.114 0.000 0.999 377 T CB 1.053 69.930 68.868 0.016 0.000 1.098 377 T HN 0.934 nan 8.240 nan 0.000 0.477 378 C N 1.500 120.823 119.300 0.039 0.000 2.431 378 C HA 0.731 5.191 4.460 0.001 0.000 0.321 378 C C -0.246 174.695 174.990 -0.081 0.000 1.202 378 C CA -1.029 57.998 59.018 0.016 0.000 1.398 378 C CB 0.357 28.148 27.740 0.085 0.000 2.047 378 C HN 0.908 nan 8.230 nan 0.000 0.465 379 D N 1.838 122.177 120.400 -0.103 0.000 2.423 379 D HA 0.195 4.836 4.640 0.001 0.000 0.238 379 D C 0.351 176.572 176.300 -0.131 0.000 1.142 379 D CA 0.308 54.225 54.000 -0.138 0.000 0.884 379 D CB 1.381 42.104 40.800 -0.127 0.000 1.199 379 D HN 0.543 nan 8.370 nan 0.000 0.438 380 V N 2.149 121.986 119.914 -0.128 0.000 2.540 380 V HA 0.474 4.595 4.120 0.001 0.000 0.297 380 V C 1.203 177.227 176.094 -0.117 0.000 1.024 380 V CA 1.173 63.415 62.300 -0.097 0.000 1.105 380 V CB 0.266 32.036 31.823 -0.088 0.000 0.938 380 V HN 0.856 nan 8.190 nan 0.000 0.482 381 G N 3.961 112.682 108.800 -0.133 0.000 2.293 381 G HA2 -0.002 3.959 3.960 0.001 0.000 0.282 381 G HA3 -0.002 3.959 3.960 0.001 0.000 0.282 381 G C 0.595 175.301 174.900 -0.323 0.000 1.299 381 G CA 0.310 45.294 45.100 -0.193 0.000 1.018 381 G HN 1.005 nan 8.290 nan 0.000 0.478 382 T N -1.453 112.812 114.554 -0.481 0.000 2.833 382 T HA 0.006 4.356 4.350 0.001 0.000 0.269 382 T C 0.144 174.375 174.700 -0.781 0.000 1.054 382 T CA 2.367 63.985 62.100 -0.804 0.000 1.135 382 T CB -1.004 67.349 68.868 -0.857 0.000 0.869 382 T HN 0.312 nan 8.240 nan 0.000 0.466 383 P HA -0.049 nan 4.420 nan 0.000 0.217 383 P C 1.608 178.755 177.300 -0.255 0.000 1.148 383 P CA 1.210 63.993 63.100 -0.528 0.000 0.828 383 P CB -0.395 31.018 31.700 -0.478 0.000 0.783 384 T N -1.048 113.384 114.554 -0.204 0.000 2.777 384 T HA -0.078 4.273 4.350 0.001 0.000 0.266 384 T C 1.783 176.426 174.700 -0.095 0.000 1.040 384 T CA 1.101 63.181 62.100 -0.034 0.000 1.141 384 T CB -0.843 68.056 68.868 0.052 0.000 0.868 384 T HN -0.121 nan 8.240 nan 0.000 0.444 385 V N 0.183 119.921 119.914 -0.293 0.000 2.255 385 V HA -0.202 3.918 4.120 0.001 0.000 0.247 385 V C 2.108 178.130 176.094 -0.119 0.000 1.051 385 V CA 1.643 63.737 62.300 -0.343 0.000 1.018 385 V CB -0.858 30.557 31.823 -0.680 0.000 0.641 385 V HN 0.658 nan 8.190 nan 0.000 0.445 386 W N 0.006 121.371 121.300 0.108 0.000 2.363 386 W HA -0.047 4.613 4.660 0.001 0.000 0.296 386 W C 2.651 179.323 176.519 0.255 0.000 1.212 386 W CA 0.514 58.020 57.345 0.269 0.000 1.260 386 W CB -0.501 29.082 29.460 0.205 0.000 1.131 386 W HN 0.202 nan 8.180 nan 0.000 0.530 387 A N 0.985 123.987 122.820 0.302 0.000 1.902 387 A HA -0.107 4.214 4.320 0.001 0.000 0.217 387 A C 2.080 179.746 177.584 0.136 0.000 1.181 387 A CA 2.306 54.456 52.037 0.188 0.000 0.623 387 A CB -1.187 17.897 19.000 0.139 0.000 0.818 387 A HN 0.224 nan 8.150 nan 0.000 0.443 388 A N -0.623 122.258 122.820 0.100 0.000 1.968 388 A HA -0.062 4.258 4.320 0.001 0.000 0.217 388 A C 2.225 179.859 177.584 0.083 0.000 1.169 388 A CA 1.352 53.419 52.037 0.050 0.000 0.638 388 A CB -0.303 18.680 19.000 -0.029 0.000 0.812 388 A HN 0.547 nan 8.150 nan 0.000 0.446 389 R N -2.637 117.911 120.500 0.079 0.000 2.173 389 R HA 0.089 4.430 4.340 0.001 0.000 0.208 389 R C 1.250 177.430 176.300 -0.201 0.000 1.035 389 R CA 1.082 57.159 56.100 -0.039 0.000 1.004 389 R CB -0.089 30.099 30.300 -0.186 0.000 0.917 389 R HN 0.648 nan 8.270 nan 0.000 0.462 390 Y N 0.036 120.460 120.300 0.207 0.000 2.535 390 Y HA 0.239 4.789 4.550 0.001 0.000 0.266 390 Y C 0.642 176.574 175.900 0.053 0.000 1.088 390 Y CA -0.360 57.825 58.100 0.142 0.000 1.285 390 Y CB 0.467 39.018 38.460 0.152 0.000 1.166 390 Y HN -0.179 nan 8.280 nan 0.000 0.525 391 L N 2.739 124.029 121.223 0.112 0.000 2.500 391 L HA 0.048 4.388 4.340 0.001 0.000 0.272 391 L C -0.208 176.646 176.870 -0.025 0.000 1.149 391 L CA 0.234 55.019 54.840 -0.092 0.000 0.897 391 L CB 0.223 42.086 42.059 -0.326 0.000 1.178 391 L HN 0.012 nan 8.230 nan 0.000 0.473 392 K N 4.653 125.055 120.400 0.004 0.000 2.316 392 K HA 0.336 4.656 4.320 0.001 0.000 0.289 392 K C -0.217 176.411 176.600 0.046 0.000 1.070 392 K CA -0.373 55.942 56.287 0.046 0.000 0.928 392 K CB 0.827 33.364 32.500 0.062 0.000 1.039 392 K HN 0.387 nan 8.250 nan 0.000 0.480 393 M N 2.437 122.075 119.600 0.064 0.000 2.283 393 M HA 0.151 4.632 4.480 0.001 0.000 0.314 393 M C 0.662 177.007 176.300 0.074 0.000 1.153 393 M CA -0.290 55.051 55.300 0.068 0.000 1.084 393 M CB 0.770 33.422 32.600 0.087 0.000 1.468 393 M HN 0.670 nan 8.290 nan 0.000 0.474 394 N N -1.475 117.184 118.700 -0.069 0.000 1.938 394 N HA 0.223 4.964 4.740 0.001 0.000 0.225 394 N C 0.669 175.721 175.510 -0.763 0.000 1.400 394 N CA 0.445 53.382 53.050 -0.189 0.000 0.772 394 N CB 0.257 38.692 38.487 -0.085 0.000 1.124 394 N HN 0.922 nan 8.380 nan 0.000 0.513 395 G N 0.440 108.611 108.800 -1.048 0.000 2.199 395 G HA2 -0.367 3.594 3.960 0.001 0.000 0.254 395 G HA3 -0.367 3.594 3.960 0.001 0.000 0.254 395 G C 0.804 175.410 174.900 -0.491 0.000 0.982 395 G CA 0.777 45.100 45.100 -1.294 0.000 0.632 395 G HN 0.460 nan 8.290 nan 0.000 0.529 396 K N -0.266 119.947 120.400 -0.311 0.000 2.286 396 K HA 0.244 4.564 4.320 0.001 0.000 0.203 396 K C 1.519 178.062 176.600 -0.094 0.000 1.078 396 K CA -0.217 55.975 56.287 -0.157 0.000 0.957 396 K CB 0.321 32.752 32.500 -0.116 0.000 1.018 396 K HN 0.274 nan 8.250 nan 0.000 0.484 397 R N 1.433 121.896 120.500 -0.061 0.000 2.827 397 R HA 0.156 4.497 4.340 0.001 0.000 0.269 397 R C 0.111 176.433 176.300 0.038 0.000 1.048 397 R CA 0.270 56.389 56.100 0.032 0.000 1.173 397 R CB 0.403 30.808 30.300 0.174 0.000 1.070 397 R HN 0.028 nan 8.270 nan 0.000 0.498 398 R N 0.669 121.231 120.500 0.102 0.000 2.836 398 R HA 0.491 4.831 4.340 0.001 0.000 0.269 398 R C -1.414 175.013 176.300 0.212 0.000 1.010 398 R CA -1.242 54.914 56.100 0.093 0.000 0.930 398 R CB 1.404 31.733 30.300 0.049 0.000 1.218 398 R HN 0.272 nan 8.270 nan 0.000 0.473 399 L N 2.086 123.414 121.223 0.175 0.000 2.446 399 L HA 0.468 4.808 4.340 0.001 0.000 0.268 399 L C -1.485 175.537 176.870 0.254 0.000 0.975 399 L CA -0.291 54.700 54.840 0.253 0.000 0.848 399 L CB 1.363 43.567 42.059 0.242 0.000 1.225 399 L HN 0.456 nan 8.230 nan 0.000 0.410 400 L N 4.303 125.629 121.223 0.172 0.000 2.334 400 L HA 1.020 5.361 4.340 0.001 0.000 0.273 400 L C 0.401 177.158 176.870 -0.188 0.000 1.013 400 L CA -0.600 54.260 54.840 0.035 0.000 0.816 400 L CB 1.738 43.795 42.059 -0.004 0.000 1.278 400 L HN 0.757 nan 8.230 nan 0.000 0.431 401 G N -0.202 108.213 108.800 -0.641 0.000 2.550 401 G HA2 0.247 4.207 3.960 0.001 0.000 0.293 401 G HA3 0.247 4.207 3.960 0.001 0.000 0.293 401 G C -1.351 173.032 174.900 -0.861 0.000 1.402 401 G CA -0.362 44.114 45.100 -1.041 0.000 0.784 401 G HN 0.348 nan 8.290 nan 0.000 0.482 402 S N 0.232 115.597 115.700 -0.558 0.000 3.812 402 S HA 0.333 4.804 4.470 0.001 0.000 0.195 402 S C 0.768 175.277 174.600 -0.151 0.000 1.460 402 S CA -0.604 57.469 58.200 -0.212 0.000 1.052 402 S CB -0.826 62.375 63.200 0.001 0.000 1.385 402 S HN 0.390 nan 8.310 nan 0.000 0.490 403 F N 1.414 121.381 119.950 0.028 0.000 2.259 403 F HA 0.098 4.625 4.527 0.001 0.000 0.298 403 F C 2.120 177.903 175.800 -0.029 0.000 1.088 403 F CA 0.470 58.468 58.000 -0.004 0.000 1.358 403 F CB -0.393 38.617 39.000 0.018 0.000 1.040 403 F HN 0.409 nan 8.300 nan 0.000 0.505 404 N N -1.395 117.392 118.700 0.146 0.000 2.428 404 N HA -0.091 4.649 4.740 0.001 0.000 0.181 404 N C 1.763 177.323 175.510 0.085 0.000 1.028 404 N CA 0.933 54.028 53.050 0.075 0.000 0.877 404 N CB -0.652 37.859 38.487 0.041 0.000 1.064 404 N HN 0.227 nan 8.380 nan 0.000 0.434 405 H N 0.159 119.233 119.070 0.007 0.000 2.470 405 H HA 0.173 4.730 4.556 0.001 0.000 0.289 405 H C 0.601 175.928 175.328 -0.003 0.000 1.033 405 H CA 1.128 57.186 56.048 0.017 0.000 1.331 405 H CB -0.361 29.429 29.762 0.047 0.000 1.414 405 H HN 0.293 nan 8.280 nan 0.000 0.545 406 G N 0.647 109.400 108.800 -0.078 0.000 2.272 406 G HA2 -0.275 3.685 3.960 0.001 0.000 0.280 406 G HA3 -0.275 3.685 3.960 0.001 0.000 0.280 406 G C 0.051 174.845 174.900 -0.177 0.000 1.067 406 G CA 0.677 45.701 45.100 -0.127 0.000 0.902 406 G HN 0.667 nan 8.290 nan 0.000 0.500 407 S N -0.400 115.234 115.700 -0.111 0.000 2.499 407 S HA 0.698 5.169 4.470 0.001 0.000 0.279 407 S C 1.216 175.785 174.600 -0.053 0.000 1.219 407 S CA -0.578 57.590 58.200 -0.054 0.000 1.062 407 S CB 0.440 63.754 63.200 0.189 0.000 0.978 407 S HN 0.393 nan 8.310 nan 0.000 0.489 408 M N 3.546 123.101 119.600 -0.075 0.000 2.228 408 M HA 0.173 4.654 4.480 0.001 0.000 0.303 408 M C 1.368 177.581 176.300 -0.146 0.000 1.099 408 M CA 1.089 56.329 55.300 -0.100 0.000 1.171 408 M CB -0.039 32.512 32.600 -0.081 0.000 1.412 408 M HN 1.091 nan 8.290 nan 0.000 0.447 409 A N 0.677 123.387 122.820 -0.183 0.000 2.899 409 A HA -0.209 4.111 4.320 0.001 0.000 0.257 409 A C 1.109 178.415 177.584 -0.463 0.000 1.335 409 A CA 1.327 53.214 52.037 -0.249 0.000 0.924 409 A CB -2.507 16.369 19.000 -0.206 0.000 1.105 409 A HN 1.023 nan 8.150 nan 0.000 0.765 410 N N 0.122 118.497 118.700 -0.542 0.000 2.250 410 N HA 0.055 4.795 4.740 0.001 0.000 0.181 410 N C 1.786 176.969 175.510 -0.546 0.000 1.017 410 N CA 1.678 54.189 53.050 -0.899 0.000 0.866 410 N CB -0.977 37.158 38.487 -0.587 0.000 0.985 410 N HN 1.182 nan 8.380 nan 0.000 0.429 411 A N 2.478 125.114 122.820 -0.307 0.000 1.859 411 A HA -0.229 4.092 4.320 0.001 0.000 0.218 411 A C 2.446 179.958 177.584 -0.120 0.000 1.209 411 A CA 2.380 54.318 52.037 -0.165 0.000 0.639 411 A CB -0.971 17.981 19.000 -0.080 0.000 0.835 411 A HN 0.476 nan 8.150 nan 0.000 0.450 412 M N -0.310 119.240 119.600 -0.084 0.000 2.086 412 M HA -0.070 4.411 4.480 0.001 0.000 0.261 412 M C -0.953 175.301 176.300 -0.077 0.000 1.067 412 M CA 2.218 57.511 55.300 -0.011 0.000 1.116 412 M CB -0.902 31.743 32.600 0.074 0.000 1.348 412 M HN 0.171 nan 8.290 nan 0.000 0.407 413 P HA -0.142 nan 4.420 nan 0.000 0.215 413 P C 1.135 178.328 177.300 -0.178 0.000 1.153 413 P CA 1.482 64.476 63.100 -0.177 0.000 0.853 413 P CB -0.181 31.368 31.700 -0.252 0.000 0.788 414 Q N -0.818 118.857 119.800 -0.208 0.000 2.135 414 Q HA -0.162 4.178 4.340 0.001 0.000 0.204 414 Q C 2.186 178.122 176.000 -0.106 0.000 0.981 414 Q CA 1.697 57.416 55.803 -0.140 0.000 0.856 414 Q CB -0.676 27.984 28.738 -0.130 0.000 0.902 414 Q HN 0.165 nan 8.270 nan 0.000 0.425 415 A N 0.632 123.407 122.820 -0.076 0.000 1.902 415 A HA -0.170 4.150 4.320 0.001 0.000 0.217 415 A C 2.012 179.591 177.584 -0.009 0.000 1.181 415 A CA 1.018 53.040 52.037 -0.026 0.000 0.623 415 A CB -0.649 18.358 19.000 0.012 0.000 0.818 415 A HN 0.303 nan 8.150 nan 0.000 0.443 416 L N -0.705 120.509 121.223 -0.016 0.000 1.989 416 L HA -0.191 4.150 4.340 0.001 0.000 0.211 416 L C 2.913 179.805 176.870 0.037 0.000 1.071 416 L CA 1.372 56.233 54.840 0.036 0.000 0.749 416 L CB -1.135 40.945 42.059 0.035 0.000 0.890 416 L HN 0.502 nan 8.230 nan 0.000 0.431 417 G N -0.415 108.263 108.800 -0.203 0.000 2.553 417 G HA2 -0.342 3.619 3.960 0.001 0.000 0.218 417 G HA3 -0.342 3.619 3.960 0.001 0.000 0.218 417 G C 1.723 176.635 174.900 0.020 0.000 1.195 417 G CA 1.228 46.171 45.100 -0.261 0.000 0.779 417 G HN 0.511 nan 8.290 nan 0.000 0.577 418 A N 0.247 123.058 122.820 -0.014 0.000 1.859 418 A HA -0.255 4.065 4.320 0.001 0.000 0.218 418 A C 2.356 179.965 177.584 0.043 0.000 1.209 418 A CA 2.746 54.791 52.037 0.013 0.000 0.639 418 A CB -0.894 18.099 19.000 -0.012 0.000 0.835 418 A HN 0.427 nan 8.150 nan 0.000 0.450 419 Q N -0.476 119.350 119.800 0.044 0.000 2.112 419 Q HA -0.150 4.190 4.340 0.001 0.000 0.206 419 Q C 2.057 178.103 176.000 0.077 0.000 0.987 419 Q CA 2.543 58.374 55.803 0.047 0.000 0.858 419 Q CB -0.678 28.089 28.738 0.049 0.000 0.905 419 Q HN 0.630 nan 8.270 nan 0.000 0.420 420 A N -1.219 121.689 122.820 0.148 0.000 1.972 420 A HA -0.157 4.164 4.320 0.001 0.000 0.219 420 A C 2.196 179.850 177.584 0.116 0.000 1.169 420 A CA 1.900 54.032 52.037 0.158 0.000 0.635 420 A CB -0.723 18.464 19.000 0.311 0.000 0.810 420 A HN 0.494 nan 8.150 nan 0.000 0.446 421 T N -0.144 114.486 114.554 0.126 0.000 2.942 421 T HA 0.023 4.374 4.350 0.001 0.000 0.265 421 T C 0.411 175.138 174.700 0.046 0.000 1.062 421 T CA 0.972 63.125 62.100 0.088 0.000 1.139 421 T CB 0.033 68.954 68.868 0.088 0.000 0.883 421 T HN 0.438 nan 8.240 nan 0.000 0.468 422 E N 1.098 121.319 120.200 0.035 0.000 3.651 422 E HA 0.166 4.516 4.350 0.001 0.000 0.220 422 E C -2.109 174.493 176.600 0.004 0.000 1.222 422 E CA -1.523 54.883 56.400 0.011 0.000 1.114 422 E CB 1.335 31.034 29.700 -0.002 0.000 1.278 422 E HN 0.281 nan 8.360 nan 0.000 0.412 423 P HA -0.124 nan 4.420 nan 0.000 0.222 423 P C 0.834 178.130 177.300 -0.006 0.000 1.147 423 P CA 0.947 64.050 63.100 0.005 0.000 0.790 423 P CB 0.587 32.290 31.700 0.005 0.000 0.780 424 E N -0.113 120.080 120.200 -0.011 0.000 2.216 424 E HA -0.014 4.336 4.350 0.001 0.000 0.192 424 E C 1.077 177.658 176.600 -0.032 0.000 0.988 424 E CA 0.470 56.859 56.400 -0.018 0.000 0.834 424 E CB -0.129 29.561 29.700 -0.017 0.000 0.772 424 E HN 0.391 nan 8.360 nan 0.000 0.479 425 R N 1.148 121.624 120.500 -0.039 0.000 2.500 425 R HA 0.184 4.525 4.340 0.001 0.000 0.275 425 R C 0.490 176.737 176.300 -0.089 0.000 1.051 425 R CA -0.272 55.789 56.100 -0.066 0.000 1.088 425 R CB 0.810 31.070 30.300 -0.067 0.000 1.063 425 R HN 0.015 nan 8.270 nan 0.000 0.511 426 Q N 2.002 121.718 119.800 -0.140 0.000 2.288 426 Q HA 0.238 4.578 4.340 0.001 0.000 0.258 426 Q C -1.273 174.586 176.000 -0.236 0.000 0.957 426 Q CA -0.330 55.357 55.803 -0.193 0.000 0.919 426 Q CB 1.005 29.572 28.738 -0.285 0.000 1.185 426 Q HN 0.301 nan 8.270 nan 0.000 0.408 427 V N 4.768 124.577 119.914 -0.175 0.000 2.448 427 V HA 0.409 4.530 4.120 0.001 0.000 0.295 427 V C -0.564 175.452 176.094 -0.130 0.000 1.025 427 V CA -0.818 61.383 62.300 -0.164 0.000 0.859 427 V CB 1.756 33.538 31.823 -0.069 0.000 0.988 427 V HN 0.610 nan 8.190 nan 0.000 0.431 428 V N 3.900 123.712 119.914 -0.171 0.000 2.378 428 V HA 0.681 4.802 4.120 0.001 0.000 0.288 428 V C 0.418 176.586 176.094 0.124 0.000 1.016 428 V CA -0.582 61.722 62.300 0.007 0.000 0.840 428 V CB 1.661 33.500 31.823 0.027 0.000 0.994 428 V HN 0.978 nan 8.190 nan 0.000 0.431 429 A N 6.677 129.580 122.820 0.137 0.000 2.316 429 A HA 0.681 5.002 4.320 0.001 0.000 0.311 429 A C 0.090 177.782 177.584 0.181 0.000 1.339 429 A CA -0.403 51.715 52.037 0.135 0.000 0.960 429 A CB 0.022 19.081 19.000 0.099 0.000 1.152 429 A HN 0.855 nan 8.150 nan 0.000 0.547 430 M N 3.170 122.900 119.600 0.218 0.000 2.557 430 M HA 0.156 4.637 4.480 0.001 0.000 0.328 430 M C -0.798 175.571 176.300 0.115 0.000 1.423 430 M CA 0.080 55.546 55.300 0.276 0.000 1.418 430 M CB -0.312 32.458 32.600 0.284 0.000 1.381 430 M HN 0.626 nan 8.290 nan 0.000 0.467 431 C N 1.836 121.219 119.300 0.138 0.000 2.370 431 C HA 0.775 5.236 4.460 0.001 0.000 0.354 431 C C 1.247 176.253 174.990 0.026 0.000 1.218 431 C CA -0.982 58.059 59.018 0.038 0.000 2.154 431 C CB 0.899 28.658 27.740 0.032 0.000 2.391 431 C HN 0.942 nan 8.230 nan 0.000 0.540 432 G N 1.159 109.932 108.800 -0.044 0.000 2.537 432 G HA2 0.333 4.294 3.960 0.001 0.000 0.273 432 G HA3 0.333 4.294 3.960 0.001 0.000 0.273 432 G C 0.632 175.504 174.900 -0.045 0.000 1.189 432 G CA -0.027 45.050 45.100 -0.038 0.000 0.881 432 G HN 0.841 nan 8.290 nan 0.000 0.535 433 D N -0.375 120.009 120.400 -0.027 0.000 2.234 433 D HA -0.035 4.605 4.640 0.001 0.000 0.205 433 D C 2.101 178.426 176.300 0.041 0.000 0.962 433 D CA 1.020 54.978 54.000 -0.071 0.000 0.855 433 D CB -0.688 40.184 40.800 0.119 0.000 0.951 433 D HN 0.462 nan 8.370 nan 0.000 0.500 434 G N 0.692 109.516 108.800 0.039 0.000 2.402 434 G HA2 -0.116 3.845 3.960 0.001 0.000 0.216 434 G HA3 -0.116 3.845 3.960 0.001 0.000 0.216 434 G C 1.695 176.590 174.900 -0.008 0.000 1.162 434 G CA 0.832 45.951 45.100 0.031 0.000 0.777 434 G HN 0.465 nan 8.290 nan 0.000 0.539 435 G N 0.099 108.878 108.800 -0.035 0.000 2.403 435 G HA2 -0.084 3.876 3.960 0.001 0.000 0.216 435 G HA3 -0.084 3.876 3.960 0.001 0.000 0.216 435 G C 1.585 176.440 174.900 -0.074 0.000 1.154 435 G CA 0.718 45.776 45.100 -0.072 0.000 0.784 435 G HN 0.355 nan 8.290 nan 0.000 0.538 436 F N 2.720 122.544 119.950 -0.209 0.000 2.206 436 F HA -0.058 4.470 4.527 0.001 0.000 0.298 436 F C 2.821 178.510 175.800 -0.186 0.000 1.090 436 F CA 1.786 59.631 58.000 -0.259 0.000 1.323 436 F CB 0.015 38.746 39.000 -0.448 0.000 1.028 436 F HN 0.222 nan 8.300 nan 0.000 0.492 437 S N -0.232 115.429 115.700 -0.065 0.000 2.496 437 S HA -0.152 4.319 4.470 0.001 0.000 0.224 437 S C 2.027 176.575 174.600 -0.085 0.000 0.996 437 S CA 0.675 58.859 58.200 -0.026 0.000 0.927 437 S CB -0.748 62.574 63.200 0.202 0.000 0.774 437 S HN 0.623 nan 8.310 nan 0.000 0.524 438 M N 0.637 120.174 119.600 -0.107 0.000 2.254 438 M HA 0.250 4.731 4.480 0.001 0.000 0.265 438 M C 0.358 176.569 176.300 -0.149 0.000 1.066 438 M CA 1.441 56.680 55.300 -0.101 0.000 1.123 438 M CB 0.022 32.565 32.600 -0.095 0.000 1.388 438 M HN 0.308 nan 8.290 nan 0.000 0.425 439 L N -0.123 120.972 121.223 -0.213 0.000 3.186 439 L HA 0.234 4.575 4.340 0.001 0.000 0.292 439 L C 1.094 177.808 176.870 -0.260 0.000 1.303 439 L CA -0.312 54.397 54.840 -0.219 0.000 0.940 439 L CB 0.259 42.183 42.059 -0.224 0.000 1.358 439 L HN 0.324 nan 8.230 nan 0.000 0.581 440 M N 0.069 119.497 119.600 -0.288 0.000 2.279 440 M HA -0.096 4.385 4.480 0.001 0.000 0.264 440 M C 2.088 178.301 176.300 -0.145 0.000 1.062 440 M CA 2.015 57.077 55.300 -0.396 0.000 1.099 440 M CB 0.003 32.446 32.600 -0.261 0.000 1.394 440 M HN 0.527 nan 8.290 nan 0.000 0.426 441 G N 0.013 108.783 108.800 -0.050 0.000 2.469 441 G HA2 -0.254 3.707 3.960 0.001 0.000 0.219 441 G HA3 -0.254 3.707 3.960 0.001 0.000 0.219 441 G C 1.081 176.011 174.900 0.051 0.000 1.150 441 G CA 1.250 46.369 45.100 0.031 0.000 0.763 441 G HN 0.484 nan 8.290 nan 0.000 0.561 442 D N -0.465 119.947 120.400 0.020 0.000 2.363 442 D HA -0.010 4.630 4.640 0.001 0.000 0.226 442 D C 1.639 177.995 176.300 0.094 0.000 1.020 442 D CA -0.112 53.917 54.000 0.048 0.000 0.892 442 D CB -0.011 40.806 40.800 0.028 0.000 0.900 442 D HN 0.277 nan 8.370 nan 0.000 0.531 443 F N 1.374 121.278 119.950 -0.077 0.000 2.216 443 F HA -0.102 4.426 4.527 0.001 0.000 0.300 443 F C 1.932 177.769 175.800 0.062 0.000 1.085 443 F CA 0.833 58.842 58.000 0.014 0.000 1.326 443 F CB -0.333 38.694 39.000 0.046 0.000 1.027 443 F HN -0.100 nan 8.300 nan 0.000 0.497 444 L N -0.870 120.362 121.223 0.014 0.000 2.353 444 L HA -0.192 4.148 4.340 0.001 0.000 0.220 444 L C 2.401 179.233 176.870 -0.064 0.000 1.133 444 L CA 0.979 55.780 54.840 -0.066 0.000 0.798 444 L CB -0.738 41.334 42.059 0.021 0.000 0.922 444 L HN 0.055 nan 8.230 nan 0.000 0.445 445 S N -0.571 115.120 115.700 -0.015 0.000 2.428 445 S HA -0.123 4.347 4.470 0.001 0.000 0.230 445 S C 2.030 176.626 174.600 -0.007 0.000 1.014 445 S CA 1.169 59.379 58.200 0.016 0.000 0.957 445 S CB -0.051 63.191 63.200 0.070 0.000 0.784 445 S HN 0.454 nan 8.310 nan 0.000 0.499 446 V N 0.160 120.040 119.914 -0.056 0.000 2.407 446 V HA -0.088 4.033 4.120 0.001 0.000 0.248 446 V C 1.897 177.944 176.094 -0.079 0.000 1.055 446 V CA 1.593 63.862 62.300 -0.052 0.000 1.049 446 V CB -0.957 30.831 31.823 -0.059 0.000 0.662 446 V HN 0.311 nan 8.190 nan 0.000 0.455 447 V N 0.688 120.518 119.914 -0.139 0.000 2.229 447 V HA -0.312 3.808 4.120 0.001 0.000 0.243 447 V C 2.810 178.876 176.094 -0.047 0.000 1.042 447 V CA 2.725 64.966 62.300 -0.099 0.000 1.000 447 V CB -0.936 30.817 31.823 -0.117 0.000 0.637 447 V HN 0.713 nan 8.190 nan 0.000 0.446 448 Q N -0.822 118.957 119.800 -0.036 0.000 2.197 448 Q HA -0.204 4.137 4.340 0.001 0.000 0.207 448 Q C 1.938 177.936 176.000 -0.003 0.000 0.984 448 Q CA 1.862 57.660 55.803 -0.009 0.000 0.869 448 Q CB -0.079 28.663 28.738 0.007 0.000 0.906 448 Q HN 0.597 nan 8.270 nan 0.000 0.426 449 M N -0.438 119.161 119.600 -0.001 0.000 2.428 449 M HA 0.112 4.592 4.480 0.001 0.000 0.239 449 M C -0.405 175.894 176.300 -0.002 0.000 1.121 449 M CA 0.015 55.315 55.300 -0.000 0.000 1.019 449 M CB 0.785 33.399 32.600 0.023 0.000 1.485 449 M HN -0.101 nan 8.290 nan 0.000 0.484 450 K N 1.724 122.120 120.400 -0.007 0.000 3.451 450 K HA -0.136 4.185 4.320 0.001 0.000 0.273 450 K C -1.308 175.295 176.600 0.005 0.000 0.944 450 K CA 0.596 56.879 56.287 -0.006 0.000 0.734 450 K CB -1.706 30.790 32.500 -0.007 0.000 1.437 450 K HN 0.370 nan 8.250 nan 0.000 0.454 451 L N 1.300 122.531 121.223 0.014 0.000 2.318 451 L HA 0.316 4.657 4.340 0.001 0.000 0.277 451 L C -1.543 175.345 176.870 0.030 0.000 1.008 451 L CA -1.858 53.000 54.840 0.031 0.000 0.846 451 L CB 1.464 43.559 42.059 0.061 0.000 1.220 451 L HN -0.019 nan 8.230 nan 0.000 0.423 452 P HA -0.002 nan 4.420 nan 0.000 0.261 452 P C 0.221 177.548 177.300 0.044 0.000 1.650 452 P CA -0.014 63.104 63.100 0.031 0.000 0.846 452 P CB -0.294 31.418 31.700 0.021 0.000 1.758 453 V N -1.695 118.254 119.914 0.059 0.000 2.963 453 V HA 0.204 4.324 4.120 0.001 0.000 0.306 453 V C 0.345 176.502 176.094 0.104 0.000 1.077 453 V CA -0.153 62.189 62.300 0.071 0.000 1.124 453 V CB 0.258 32.135 31.823 0.090 0.000 0.987 453 V HN -0.014 nan 8.190 nan 0.000 0.487 454 K N 5.343 125.811 120.400 0.113 0.000 2.354 454 K HA 0.508 4.829 4.320 0.001 0.000 0.257 454 K C -0.644 176.049 176.600 0.155 0.000 1.062 454 K CA -0.516 55.870 56.287 0.165 0.000 0.971 454 K CB 0.883 33.551 32.500 0.280 0.000 1.305 454 K HN 0.617 nan 8.250 nan 0.000 0.449 455 I N 2.509 123.156 120.570 0.128 0.000 2.496 455 I HA 0.136 4.307 4.170 0.001 0.000 0.285 455 I C 0.358 176.473 176.117 -0.003 0.000 1.080 455 I CA -0.688 60.651 61.300 0.065 0.000 1.404 455 I CB 0.736 38.740 38.000 0.007 0.000 1.403 455 I HN 0.085 nan 8.210 nan 0.000 0.539 456 V N 7.325 127.248 119.914 0.015 0.000 2.357 456 V HA 0.240 4.361 4.120 0.001 0.000 0.281 456 V C 0.088 176.171 176.094 -0.018 0.000 1.015 456 V CA -0.703 61.583 62.300 -0.025 0.000 0.827 456 V CB 1.829 33.684 31.823 0.053 0.000 1.018 456 V HN 0.447 nan 8.190 nan 0.000 0.432 457 V N 5.268 125.073 119.914 -0.182 0.000 2.488 457 V HA 0.306 4.426 4.120 0.001 0.000 0.277 457 V C 0.085 176.162 176.094 -0.029 0.000 1.046 457 V CA -0.164 62.033 62.300 -0.172 0.000 0.986 457 V CB 0.891 32.410 31.823 -0.507 0.000 0.989 457 V HN 0.674 nan 8.190 nan 0.000 0.475 458 F N 3.875 123.769 119.950 -0.092 0.000 2.652 458 F HA 0.227 4.754 4.527 0.001 0.000 0.352 458 F C 1.173 176.963 175.800 -0.016 0.000 1.259 458 F CA -0.604 57.382 58.000 -0.024 0.000 1.249 458 F CB -0.525 38.501 39.000 0.043 0.000 1.628 458 F HN 0.449 nan 8.300 nan 0.000 0.654 459 N N 2.836 121.588 118.700 0.087 0.000 2.454 459 N HA -0.098 4.643 4.740 0.001 0.000 0.285 459 N C 0.629 176.201 175.510 0.104 0.000 1.233 459 N CA 0.166 53.291 53.050 0.126 0.000 1.036 459 N CB -0.206 38.370 38.487 0.148 0.000 1.423 459 N HN 0.425 nan 8.380 nan 0.000 0.495 460 N N 0.333 119.104 118.700 0.119 0.000 2.203 460 N HA 0.036 4.776 4.740 0.001 0.000 0.207 460 N C -0.192 175.362 175.510 0.074 0.000 1.130 460 N CA -0.365 52.740 53.050 0.091 0.000 0.861 460 N CB 0.152 38.704 38.487 0.109 0.000 1.005 460 N HN 0.089 nan 8.380 nan 0.000 0.507 461 S N -1.463 114.289 115.700 0.086 0.000 3.445 461 S HA -0.145 4.326 4.470 0.001 0.000 0.319 461 S C -0.398 174.240 174.600 0.063 0.000 1.209 461 S CA 0.955 59.193 58.200 0.064 0.000 0.934 461 S CB -1.648 61.562 63.200 0.018 0.000 0.999 461 S HN 0.545 nan 8.310 nan 0.000 0.582 462 V N 0.180 120.136 119.914 0.070 0.000 3.216 462 V HA 0.539 4.660 4.120 0.001 0.000 0.302 462 V C -1.274 174.846 176.094 0.044 0.000 1.286 462 V CA -1.064 61.271 62.300 0.058 0.000 1.048 462 V CB 2.097 33.955 31.823 0.059 0.000 1.081 462 V HN 0.237 nan 8.190 nan 0.000 0.442 463 L N 5.141 126.384 121.223 0.034 0.000 2.287 463 L HA 0.734 5.074 4.340 0.001 0.000 0.280 463 L C 0.739 177.607 176.870 -0.003 0.000 1.055 463 L CA 0.662 55.509 54.840 0.011 0.000 0.863 463 L CB 0.399 42.467 42.059 0.016 0.000 1.245 463 L HN 1.123 nan 8.230 nan 0.000 0.432 464 G N 2.042 110.810 108.800 -0.053 0.000 2.725 464 G HA2 -0.242 3.719 3.960 0.001 0.000 0.220 464 G HA3 -0.242 3.719 3.960 0.001 0.000 0.220 464 G C -0.493 174.363 174.900 -0.073 0.000 1.357 464 G CA -0.949 44.081 45.100 -0.116 0.000 0.866 464 G HN 0.207 nan 8.290 nan 0.000 0.548 465 F N -0.025 119.940 119.950 0.026 0.000 2.608 465 F HA 0.355 4.882 4.527 0.001 0.000 0.380 465 F C 1.505 177.334 175.800 0.050 0.000 1.083 465 F CA 0.110 58.140 58.000 0.050 0.000 1.266 465 F CB 0.680 39.691 39.000 0.019 0.000 1.076 465 F HN 0.340 nan 8.300 nan 0.000 0.574 466 V N 3.524 123.606 119.914 0.278 0.000 2.583 466 V HA 0.506 4.626 4.120 0.001 0.000 0.287 466 V C 0.312 176.491 176.094 0.141 0.000 1.051 466 V CA -0.741 61.661 62.300 0.170 0.000 1.010 466 V CB 0.551 32.458 31.823 0.138 0.000 0.988 466 V HN 1.046 nan 8.190 nan 0.000 0.478 467 A N 6.268 129.150 122.820 0.102 0.000 1.848 467 A HA -0.137 4.183 4.320 0.001 0.000 0.241 467 A C 0.585 178.205 177.584 0.060 0.000 1.341 467 A CA 0.377 52.457 52.037 0.072 0.000 0.706 467 A CB -0.976 18.060 19.000 0.059 0.000 1.189 467 A HN 0.688 nan 8.150 nan 0.000 0.259 468 M N 0.763 120.396 119.600 0.055 0.000 2.704 468 M HA 0.107 4.587 4.480 0.001 0.000 0.215 468 M C 1.194 177.492 176.300 -0.003 0.000 1.156 468 M CA 1.698 57.015 55.300 0.027 0.000 1.002 468 M CB -1.144 31.478 32.600 0.036 0.000 1.781 468 M HN 1.007 nan 8.290 nan 0.000 0.486 469 E N -0.373 119.826 120.200 -0.002 0.000 2.321 469 E HA 0.079 4.430 4.350 0.001 0.000 0.256 469 E C -0.379 176.213 176.600 -0.013 0.000 1.101 469 E CA 0.073 56.464 56.400 -0.015 0.000 1.790 469 E CB 0.681 30.372 29.700 -0.014 0.000 3.331 469 E HN 0.208 nan 8.360 nan 0.000 1.027 470 M N 2.164 121.764 119.600 -0.001 0.000 2.365 470 M HA 0.293 4.774 4.480 0.001 0.000 0.288 470 M C -2.042 174.269 176.300 0.019 0.000 1.152 470 M CA -0.579 54.721 55.300 0.001 0.000 0.948 470 M CB 1.853 34.444 32.600 -0.014 0.000 1.729 470 M HN 0.025 nan 8.290 nan 0.000 0.487 471 K N 3.446 123.862 120.400 0.026 0.000 2.451 471 K HA 0.568 4.889 4.320 0.001 0.000 0.280 471 K C -0.857 175.768 176.600 0.041 0.000 1.020 471 K CA 0.178 56.489 56.287 0.040 0.000 1.008 471 K CB 0.633 33.157 32.500 0.040 0.000 0.917 471 K HN 0.673 nan 8.250 nan 0.000 0.478 472 A N 3.333 126.188 122.820 0.059 0.000 2.260 472 A HA 0.460 4.781 4.320 0.001 0.000 0.314 472 A C 0.756 178.387 177.584 0.077 0.000 1.257 472 A CA -0.478 51.605 52.037 0.077 0.000 0.871 472 A CB 1.132 20.208 19.000 0.125 0.000 1.166 472 A HN 0.962 nan 8.150 nan 0.000 0.522 473 G N 0.999 109.840 108.800 0.069 0.000 3.126 473 G HA2 0.360 4.321 3.960 0.001 0.000 0.224 473 G HA3 0.360 4.321 3.960 0.001 0.000 0.224 473 G C 0.733 175.677 174.900 0.072 0.000 1.142 473 G CA 0.870 46.006 45.100 0.060 0.000 0.759 473 G HN 1.088 nan 8.290 nan 0.000 0.550 474 G N -1.030 107.838 108.800 0.113 0.000 2.649 474 G HA2 0.246 4.207 3.960 0.001 0.000 0.199 474 G HA3 0.246 4.207 3.960 0.001 0.000 0.199 474 G C -0.314 174.698 174.900 0.187 0.000 1.085 474 G CA -0.173 45.009 45.100 0.136 0.000 0.804 474 G HN 0.152 nan 8.290 nan 0.000 0.671 475 Y N 0.518 120.827 120.300 0.015 0.000 2.323 475 Y HA 0.699 5.251 4.550 0.002 0.000 0.331 475 Y C -0.163 175.749 175.900 0.019 0.000 1.092 475 Y CA -0.766 57.344 58.100 0.016 0.000 1.150 475 Y CB 1.578 40.047 38.460 0.016 0.000 1.200 475 Y HN -0.153 nan 8.280 nan 0.000 0.472 476 L N 4.282 125.519 121.223 0.024 0.000 2.573 476 L HA 0.230 4.570 4.340 0.001 0.000 0.260 476 L C -0.358 176.513 176.870 0.002 0.000 0.997 476 L CA -0.877 53.983 54.840 0.033 0.000 0.890 476 L CB 1.536 43.605 42.059 0.017 0.000 1.179 476 L HN 0.644 nan 8.230 nan 0.000 0.439 477 T N -3.168 111.413 114.554 0.045 0.000 2.867 477 T HA 0.021 4.372 4.350 0.001 0.000 0.297 477 T C 0.852 175.565 174.700 0.022 0.000 0.989 477 T CA -0.533 61.587 62.100 0.033 0.000 1.159 477 T CB 0.622 69.528 68.868 0.064 0.000 0.928 477 T HN 0.423 nan 8.240 nan 0.000 0.538 478 D N 3.160 123.564 120.400 0.007 0.000 2.354 478 D HA -0.059 4.582 4.640 0.001 0.000 0.216 478 D C 2.010 178.323 176.300 0.022 0.000 0.970 478 D CA 1.173 55.179 54.000 0.011 0.000 0.905 478 D CB -0.466 40.335 40.800 0.002 0.000 0.903 478 D HN 0.851 nan 8.370 nan 0.000 0.508 479 G N 0.977 109.793 108.800 0.026 0.000 2.394 479 G HA2 -0.204 3.757 3.960 0.001 0.000 0.214 479 G HA3 -0.204 3.757 3.960 0.001 0.000 0.214 479 G C 1.720 176.641 174.900 0.034 0.000 1.176 479 G CA 1.360 46.478 45.100 0.029 0.000 0.786 479 G HN 0.404 nan 8.290 nan 0.000 0.533 480 T N -1.806 112.773 114.554 0.041 0.000 3.065 480 T HA 0.214 4.565 4.350 0.001 0.000 0.252 480 T C 0.748 175.477 174.700 0.048 0.000 1.099 480 T CA 0.147 62.274 62.100 0.045 0.000 1.063 480 T CB 0.330 69.230 68.868 0.053 0.000 0.948 480 T HN 0.326 nan 8.240 nan 0.000 0.506 481 E N 1.233 121.462 120.200 0.047 0.000 2.167 481 E HA 0.457 4.808 4.350 0.001 0.000 0.284 481 E C -0.981 175.656 176.600 0.062 0.000 1.016 481 E CA -0.557 55.874 56.400 0.052 0.000 0.817 481 E CB 0.471 30.199 29.700 0.046 0.000 1.080 481 E HN 0.417 nan 8.360 nan 0.000 0.397 482 L N 4.294 125.558 121.223 0.068 0.000 2.295 482 L HA 0.278 4.619 4.340 0.001 0.000 0.285 482 L C 0.052 176.975 176.870 0.089 0.000 1.035 482 L CA -1.079 53.815 54.840 0.090 0.000 0.806 482 L CB 1.058 43.179 42.059 0.103 0.000 1.214 482 L HN 0.662 nan 8.230 nan 0.000 0.426 483 H N 3.012 122.094 119.070 0.021 0.000 3.046 483 H HA -0.025 4.531 4.556 0.001 0.000 0.303 483 H C -0.478 174.840 175.328 -0.017 0.000 1.002 483 H CA -0.262 55.786 56.048 0.001 0.000 1.460 483 H CB 0.211 29.968 29.762 -0.007 0.000 1.493 483 H HN 0.424 nan 8.280 nan 0.000 0.559 484 D N 4.518 124.587 120.400 -0.551 0.000 2.793 484 D HA -0.066 4.575 4.640 0.001 0.000 0.230 484 D C -0.209 175.812 176.300 -0.465 0.000 1.139 484 D CA 0.951 54.697 54.000 -0.425 0.000 0.838 484 D CB 0.240 40.826 40.800 -0.356 0.000 1.149 484 D HN 0.535 nan 8.370 nan 0.000 0.526 485 T N 2.628 116.991 114.554 -0.319 0.000 2.907 485 T HA 0.271 4.622 4.350 0.001 0.000 0.292 485 T C 0.087 174.492 174.700 -0.492 0.000 1.043 485 T CA -0.857 60.983 62.100 -0.434 0.000 1.003 485 T CB 1.530 70.033 68.868 -0.608 0.000 1.084 485 T HN 0.162 nan 8.240 nan 0.000 0.483 486 N N 1.873 120.307 118.700 -0.444 0.000 2.621 486 N HA 0.250 4.991 4.740 0.001 0.000 0.237 486 N C -0.071 175.253 175.510 -0.309 0.000 0.997 486 N CA -0.458 52.413 53.050 -0.298 0.000 0.918 486 N CB 0.232 38.629 38.487 -0.150 0.000 1.122 486 N HN 0.411 nan 8.380 nan 0.000 0.510 487 F N 1.714 121.619 119.950 -0.075 0.000 2.293 487 F HA 0.121 4.649 4.527 0.001 0.000 0.297 487 F C 2.327 178.057 175.800 -0.117 0.000 1.089 487 F CA 0.615 58.542 58.000 -0.122 0.000 1.377 487 F CB -0.327 38.512 39.000 -0.269 0.000 1.051 487 F HN 0.559 nan 8.300 nan 0.000 0.511 488 A N 0.351 123.204 122.820 0.055 0.000 1.908 488 A HA -0.244 4.076 4.320 0.001 0.000 0.218 488 A C 2.305 179.917 177.584 0.047 0.000 1.181 488 A CA 1.946 54.001 52.037 0.030 0.000 0.627 488 A CB -0.812 18.188 19.000 -0.001 0.000 0.818 488 A HN 0.313 nan 8.150 nan 0.000 0.445 489 R N -0.471 120.041 120.500 0.019 0.000 2.081 489 R HA -0.072 4.269 4.340 0.001 0.000 0.235 489 R C 1.959 178.298 176.300 0.065 0.000 1.131 489 R CA 1.726 57.840 56.100 0.023 0.000 0.960 489 R CB -0.375 29.917 30.300 -0.013 0.000 0.856 489 R HN 0.609 nan 8.270 nan 0.000 0.436 490 I N 0.144 120.763 120.570 0.081 0.000 2.202 490 I HA -0.223 3.948 4.170 0.001 0.000 0.242 490 I C 2.526 178.809 176.117 0.277 0.000 1.091 490 I CA 1.097 62.492 61.300 0.158 0.000 1.368 490 I CB -0.480 37.630 38.000 0.182 0.000 1.058 490 I HN 0.270 nan 8.210 nan 0.000 0.410 491 A N 0.721 123.721 122.820 0.299 0.000 1.884 491 A HA -0.267 4.053 4.320 0.001 0.000 0.219 491 A C 2.244 180.011 177.584 0.305 0.000 1.197 491 A CA 1.876 54.215 52.037 0.503 0.000 0.637 491 A CB -0.610 18.606 19.000 0.361 0.000 0.827 491 A HN 0.373 nan 8.150 nan 0.000 0.450 492 E N -0.319 119.987 120.200 0.176 0.000 2.070 492 E HA -0.206 4.145 4.350 0.001 0.000 0.197 492 E C 2.228 178.889 176.600 0.103 0.000 1.004 492 E CA 1.475 57.941 56.400 0.110 0.000 0.805 492 E CB -0.653 29.089 29.700 0.071 0.000 0.744 492 E HN 0.607 nan 8.360 nan 0.000 0.451 493 A N -0.029 122.859 122.820 0.115 0.000 2.209 493 A HA -0.097 4.223 4.320 0.001 0.000 0.212 493 A C 2.169 179.816 177.584 0.106 0.000 1.158 493 A CA 0.727 52.822 52.037 0.096 0.000 0.742 493 A CB -0.331 18.723 19.000 0.089 0.000 0.790 493 A HN 0.290 nan 8.150 nan 0.000 0.472 494 C N -1.613 117.773 119.300 0.144 0.000 2.906 494 C HA 0.483 4.944 4.460 0.001 0.000 0.274 494 C C 1.824 176.824 174.990 0.017 0.000 1.257 494 C CA 0.175 59.253 59.018 0.100 0.000 1.695 494 C CB -0.883 26.954 27.740 0.163 0.000 1.958 494 C HN 1.034 nan 8.230 nan 0.000 0.619 495 G N 1.273 110.094 108.800 0.035 0.000 2.142 495 G HA2 -0.206 3.755 3.960 0.001 0.000 0.225 495 G HA3 -0.206 3.755 3.960 0.001 0.000 0.225 495 G C -0.296 174.599 174.900 -0.008 0.000 1.015 495 G CA -0.127 44.978 45.100 0.008 0.000 0.716 495 G HN 0.525 nan 8.290 nan 0.000 0.508 496 I N 0.889 121.472 120.570 0.022 0.000 2.545 496 I HA 0.322 4.492 4.170 0.001 0.000 0.292 496 I C 0.666 176.839 176.117 0.093 0.000 1.040 496 I CA -0.991 60.327 61.300 0.030 0.000 1.068 496 I CB 2.008 39.997 38.000 -0.019 0.000 1.251 496 I HN 0.009 nan 8.210 nan 0.000 0.424 497 T N 4.313 118.907 114.554 0.067 0.000 2.822 497 T HA 0.168 4.518 4.350 0.001 0.000 0.288 497 T C 0.369 175.117 174.700 0.080 0.000 0.991 497 T CA -0.062 62.073 62.100 0.059 0.000 1.176 497 T CB 0.035 68.924 68.868 0.035 0.000 0.951 497 T HN 0.806 nan 8.240 nan 0.000 0.526 498 G N 3.160 111.998 108.800 0.063 0.000 2.502 498 G HA2 0.618 4.578 3.960 0.001 0.000 0.311 498 G HA3 0.618 4.578 3.960 0.001 0.000 0.311 498 G C -0.546 174.359 174.900 0.008 0.000 1.270 498 G CA -0.684 44.447 45.100 0.052 0.000 0.948 498 G HN 0.761 nan 8.290 nan 0.000 0.487 499 I N 2.205 122.764 120.570 -0.019 0.000 2.354 499 I HA 0.324 4.495 4.170 0.001 0.000 0.286 499 I C 0.207 176.291 176.117 -0.056 0.000 1.007 499 I CA -0.887 60.385 61.300 -0.046 0.000 1.167 499 I CB 1.678 39.633 38.000 -0.075 0.000 1.320 499 I HN 0.340 nan 8.210 nan 0.000 0.458 500 R N 5.784 126.256 120.500 -0.047 0.000 2.297 500 R HA 0.605 4.946 4.340 0.001 0.000 0.308 500 R C -1.516 174.747 176.300 -0.062 0.000 1.029 500 R CA -0.216 55.854 56.100 -0.050 0.000 0.929 500 R CB 1.152 31.430 30.300 -0.038 0.000 1.046 500 R HN 0.408 nan 8.270 nan 0.000 0.461 501 V N 5.160 125.031 119.914 -0.071 0.000 2.482 501 V HA 0.297 4.418 4.120 0.001 0.000 0.295 501 V C -0.041 176.014 176.094 -0.066 0.000 1.026 501 V CA -0.449 61.805 62.300 -0.077 0.000 0.856 501 V CB 1.581 33.340 31.823 -0.106 0.000 1.001 501 V HN 0.987 nan 8.190 nan 0.000 0.424 502 E N 2.344 122.512 120.200 -0.052 0.000 2.508 502 E HA 0.248 4.599 4.350 0.001 0.000 0.217 502 E C -0.114 176.463 176.600 -0.038 0.000 0.896 502 E CA -0.001 56.371 56.400 -0.046 0.000 1.118 502 E CB 0.956 30.631 29.700 -0.042 0.000 1.133 502 E HN 0.559 nan 8.360 nan 0.000 0.526 503 K N 0.248 120.630 120.400 -0.030 0.000 2.270 503 K HA 0.494 4.815 4.320 0.001 0.000 0.255 503 K C 0.324 176.929 176.600 0.007 0.000 0.936 503 K CA -0.241 56.035 56.287 -0.018 0.000 0.809 503 K CB 1.898 34.387 32.500 -0.019 0.000 1.131 503 K HN -0.090 nan 8.250 nan 0.000 0.427 504 A N 1.768 124.603 122.820 0.025 0.000 1.958 504 A HA -0.236 4.085 4.320 0.001 0.000 0.221 504 A C 2.086 179.753 177.584 0.138 0.000 1.178 504 A CA 2.519 54.620 52.037 0.107 0.000 0.642 504 A CB -0.778 18.223 19.000 0.002 0.000 0.816 504 A HN 0.837 nan 8.150 nan 0.000 0.453 505 S N -0.172 115.561 115.700 0.054 0.000 2.419 505 S HA -0.186 4.284 4.470 0.001 0.000 0.233 505 S C 1.433 176.054 174.600 0.035 0.000 1.016 505 S CA 1.476 59.705 58.200 0.048 0.000 0.974 505 S CB -0.441 62.767 63.200 0.014 0.000 0.786 505 S HN 0.718 nan 8.310 nan 0.000 0.492 506 E N 0.537 120.744 120.200 0.011 0.000 2.442 506 E HA 0.097 4.448 4.350 0.001 0.000 0.195 506 E C 1.791 178.354 176.600 -0.061 0.000 1.030 506 E CA 0.306 56.688 56.400 -0.031 0.000 0.869 506 E CB -0.072 29.602 29.700 -0.043 0.000 0.857 506 E HN 0.372 nan 8.360 nan 0.000 0.505 507 V N 2.165 122.063 119.914 -0.027 0.000 2.220 507 V HA -0.306 3.814 4.120 0.001 0.000 0.246 507 V C 1.479 177.468 176.094 -0.175 0.000 1.049 507 V CA 2.422 64.661 62.300 -0.100 0.000 1.003 507 V CB -0.503 31.258 31.823 -0.104 0.000 0.634 507 V HN 0.240 nan 8.190 nan 0.000 0.444 508 D N -0.038 120.295 120.400 -0.111 0.000 2.158 508 D HA -0.247 4.394 4.640 0.001 0.000 0.197 508 D C 2.021 178.013 176.300 -0.514 0.000 0.995 508 D CA 1.559 55.390 54.000 -0.281 0.000 0.846 508 D CB -0.311 40.504 40.800 0.025 0.000 0.941 508 D HN 0.671 nan 8.370 nan 0.000 0.456 509 E N 1.238 121.267 120.200 -0.284 0.000 2.051 509 E HA -0.133 4.218 4.350 0.001 0.000 0.192 509 E C 1.905 178.331 176.600 -0.290 0.000 0.991 509 E CA 1.670 57.914 56.400 -0.260 0.000 0.799 509 E CB -0.563 29.048 29.700 -0.148 0.000 0.748 509 E HN 0.182 nan 8.360 nan 0.000 0.449 510 A N 1.068 123.732 122.820 -0.261 0.000 1.858 510 A HA -0.118 4.203 4.320 0.001 0.000 0.216 510 A C 2.442 179.800 177.584 -0.377 0.000 1.190 510 A CA 1.664 53.547 52.037 -0.256 0.000 0.617 510 A CB -0.943 17.931 19.000 -0.209 0.000 0.827 510 A HN 0.357 nan 8.150 nan 0.000 0.443 511 L N -0.823 120.106 121.223 -0.491 0.000 1.970 511 L HA -0.295 4.046 4.340 0.001 0.000 0.212 511 L C 2.994 179.329 176.870 -0.893 0.000 1.071 511 L CA 1.912 56.287 54.840 -0.775 0.000 0.751 511 L CB -0.816 40.872 42.059 -0.619 0.000 0.889 511 L HN 0.501 nan 8.230 nan 0.000 0.432 512 Q N -0.617 118.744 119.800 -0.732 0.000 2.112 512 Q HA -0.270 4.071 4.340 0.001 0.000 0.206 512 Q C 2.396 178.237 176.000 -0.266 0.000 0.987 512 Q CA 1.575 57.090 55.803 -0.479 0.000 0.858 512 Q CB -0.208 28.226 28.738 -0.506 0.000 0.905 512 Q HN 0.385 nan 8.270 nan 0.000 0.420 513 R N 0.034 120.371 120.500 -0.272 0.000 2.073 513 R HA -0.055 4.286 4.340 0.001 0.000 0.229 513 R C 2.159 178.385 176.300 -0.124 0.000 1.120 513 R CA 1.023 57.029 56.100 -0.157 0.000 0.967 513 R CB -0.163 30.053 30.300 -0.140 0.000 0.862 513 R HN 0.217 nan 8.270 nan 0.000 0.436 514 A N 0.513 123.207 122.820 -0.211 0.000 1.933 514 A HA -0.152 4.169 4.320 0.001 0.000 0.218 514 A C 1.803 179.420 177.584 0.055 0.000 1.175 514 A CA 1.150 53.111 52.037 -0.126 0.000 0.628 514 A CB -0.534 18.334 19.000 -0.221 0.000 0.814 514 A HN 0.283 nan 8.150 nan 0.000 0.444 515 F N 0.904 120.829 119.950 -0.041 0.000 2.259 515 F HA -0.068 4.460 4.527 0.001 0.000 0.298 515 F C 2.859 178.644 175.800 -0.025 0.000 1.088 515 F CA 0.937 58.922 58.000 -0.025 0.000 1.358 515 F CB -0.899 38.093 39.000 -0.012 0.000 1.040 515 F HN 0.378 nan 8.300 nan 0.000 0.505 516 S N -0.365 115.422 115.700 0.145 0.000 2.458 516 S HA 0.084 4.555 4.470 0.001 0.000 0.223 516 S C 0.943 175.570 174.600 0.044 0.000 1.019 516 S CA -0.134 58.110 58.200 0.075 0.000 0.937 516 S CB -0.814 62.409 63.200 0.038 0.000 0.788 516 S HN 0.134 nan 8.310 nan 0.000 0.511 517 I N 2.983 123.574 120.570 0.034 0.000 2.880 517 I HA -0.049 4.122 4.170 0.001 0.000 0.296 517 I C 0.247 176.383 176.117 0.032 0.000 1.220 517 I CA 0.396 61.710 61.300 0.023 0.000 1.435 517 I CB 0.146 38.156 38.000 0.017 0.000 1.339 517 I HN 0.204 nan 8.210 nan 0.000 0.583 518 D N 5.128 125.541 120.400 0.021 0.000 2.558 518 D HA 0.493 5.134 4.640 0.001 0.000 0.221 518 D C 0.064 176.375 176.300 0.018 0.000 1.143 518 D CA 0.418 54.429 54.000 0.018 0.000 1.010 518 D CB -0.021 40.786 40.800 0.011 0.000 1.068 518 D HN 0.731 nan 8.370 nan 0.000 0.511 519 G N 2.308 111.123 108.800 0.025 0.000 2.356 519 G HA2 0.097 4.057 3.960 0.001 0.000 0.288 519 G HA3 0.097 4.057 3.960 0.001 0.000 0.288 519 G C -3.008 171.914 174.900 0.037 0.000 1.302 519 G CA -1.114 44.000 45.100 0.023 0.000 0.887 519 G HN 0.119 nan 8.290 nan 0.000 0.521 520 P HA 0.457 nan 4.420 nan 0.000 0.268 520 P C -0.495 176.849 177.300 0.073 0.000 1.204 520 P CA -0.109 63.022 63.100 0.052 0.000 0.768 520 P CB 1.304 33.009 31.700 0.008 0.000 0.842 521 V N 4.584 124.561 119.914 0.105 0.000 2.733 521 V HA 0.342 4.463 4.120 0.001 0.000 0.306 521 V C -0.301 175.865 176.094 0.120 0.000 1.084 521 V CA -0.684 61.673 62.300 0.096 0.000 0.905 521 V CB 2.126 33.982 31.823 0.055 0.000 1.010 521 V HN 0.413 nan 8.190 nan 0.000 0.424 522 L N 5.500 126.798 121.223 0.125 0.000 2.287 522 L HA 0.690 5.030 4.340 0.001 0.000 0.287 522 L C -0.816 176.024 176.870 -0.050 0.000 1.022 522 L CA -0.431 54.425 54.840 0.026 0.000 0.814 522 L CB 1.524 43.578 42.059 -0.009 0.000 1.217 522 L HN 0.509 nan 8.230 nan 0.000 0.420 523 V N 4.051 123.906 119.914 -0.099 0.000 2.288 523 V HA 0.173 4.294 4.120 0.001 0.000 0.266 523 V C -0.237 175.765 176.094 -0.153 0.000 1.048 523 V CA -0.546 61.680 62.300 -0.123 0.000 0.842 523 V CB 0.888 32.623 31.823 -0.148 0.000 1.064 523 V HN 0.655 nan 8.190 nan 0.000 0.472 524 D N 4.712 125.041 120.400 -0.119 0.000 2.435 524 D HA 0.168 4.809 4.640 0.001 0.000 0.230 524 D C -0.185 176.060 176.300 -0.091 0.000 1.215 524 D CA 0.105 54.053 54.000 -0.088 0.000 0.947 524 D CB 0.938 41.738 40.800 0.000 0.000 1.048 524 D HN 0.287 nan 8.370 nan 0.000 0.512 525 V N 4.490 124.320 119.914 -0.141 0.000 2.364 525 V HA 0.154 4.275 4.120 0.001 0.000 0.272 525 V C 0.545 176.571 176.094 -0.113 0.000 1.036 525 V CA -0.942 61.262 62.300 -0.161 0.000 0.880 525 V CB 1.552 33.207 31.823 -0.280 0.000 0.991 525 V HN 0.230 nan 8.190 nan 0.000 0.460 526 V N 7.026 126.895 119.914 -0.075 0.000 2.370 526 V HA 0.171 4.292 4.120 0.001 0.000 0.257 526 V C 0.393 176.453 176.094 -0.057 0.000 1.064 526 V CA -0.043 62.230 62.300 -0.045 0.000 0.975 526 V CB 0.829 32.628 31.823 -0.039 0.000 1.067 526 V HN 0.749 nan 8.190 nan 0.000 0.485 527 V N 3.059 122.950 119.914 -0.038 0.000 2.973 527 V HA 0.950 5.070 4.120 0.001 0.000 0.314 527 V C 0.609 176.693 176.094 -0.016 0.000 1.066 527 V CA -0.738 61.540 62.300 -0.037 0.000 1.021 527 V CB 1.516 33.342 31.823 0.005 0.000 1.076 527 V HN 0.830 nan 8.190 nan 0.000 0.462 528 A N 1.772 124.560 122.820 -0.052 0.000 2.425 528 A HA 0.343 4.664 4.320 0.001 0.000 0.242 528 A C 0.658 178.268 177.584 0.044 0.000 1.077 528 A CA -0.399 51.608 52.037 -0.049 0.000 0.781 528 A CB -0.134 18.772 19.000 -0.157 0.000 1.020 528 A HN 0.905 nan 8.150 nan 0.000 0.494 529 K N 2.345 122.776 120.400 0.052 0.000 2.737 529 K HA 0.074 4.395 4.320 0.001 0.000 0.251 529 K C -0.509 176.179 176.600 0.147 0.000 1.280 529 K CA -0.112 56.234 56.287 0.097 0.000 1.219 529 K CB -0.016 32.529 32.500 0.075 0.000 1.587 529 K HN 0.583 nan 8.250 nan 0.000 0.279 530 E N 2.537 122.864 120.200 0.212 0.000 2.608 530 E HA -0.102 4.249 4.350 0.001 0.000 0.259 530 E C 0.112 176.924 176.600 0.354 0.000 0.951 530 E CA 0.842 57.426 56.400 0.306 0.000 0.945 530 E CB 0.492 30.476 29.700 0.474 0.000 0.916 530 E HN 0.416 nan 8.360 nan 0.000 0.477 531 E N 1.373 121.718 120.200 0.242 0.000 2.267 531 E HA 0.465 4.816 4.350 0.001 0.000 0.258 531 E C -0.404 176.243 176.600 0.078 0.000 1.074 531 E CA -0.973 55.531 56.400 0.173 0.000 0.915 531 E CB 1.068 30.830 29.700 0.102 0.000 1.186 531 E HN 0.063 nan 8.360 nan 0.000 0.439 532 L N 1.334 122.551 121.223 -0.011 0.000 2.490 532 L HA 0.342 4.683 4.340 0.001 0.000 0.256 532 L C -0.925 175.887 176.870 -0.097 0.000 1.089 532 L CA -0.169 54.571 54.840 -0.165 0.000 0.916 532 L CB 0.903 42.745 42.059 -0.361 0.000 1.188 532 L HN 0.640 nan 8.230 nan 0.000 0.476 533 A N 4.998 127.777 122.820 -0.068 0.000 2.540 533 A HA 0.498 4.819 4.320 0.001 0.000 0.239 533 A C -0.135 177.407 177.584 -0.071 0.000 1.061 533 A CA 0.383 52.390 52.037 -0.050 0.000 0.758 533 A CB -0.124 18.856 19.000 -0.033 0.000 0.991 533 A HN 0.617 nan 8.150 nan 0.000 0.502 534 I N 3.912 124.446 120.570 -0.060 0.000 2.447 534 I HA 0.276 4.447 4.170 0.001 0.000 0.287 534 I C -2.309 173.775 176.117 -0.056 0.000 1.023 534 I CA -2.212 59.047 61.300 -0.068 0.000 1.083 534 I CB 2.229 40.187 38.000 -0.070 0.000 1.245 534 I HN 0.430 nan 8.210 nan 0.000 0.434 535 P HA 0.043 nan 4.420 nan 0.000 0.265 535 P C -2.117 175.154 177.300 -0.049 0.000 1.187 535 P CA -0.786 62.284 63.100 -0.051 0.000 0.766 535 P CB 0.025 31.691 31.700 -0.057 0.000 0.820 536 P HA -0.154 nan 4.420 nan 0.000 0.221 536 P C 1.485 178.759 177.300 -0.044 0.000 1.150 536 P CA 1.066 64.143 63.100 -0.039 0.000 0.800 536 P CB -0.104 31.576 31.700 -0.033 0.000 0.787 537 Q N -0.048 119.723 119.800 -0.048 0.000 2.135 537 Q HA -0.153 4.187 4.340 0.001 0.000 0.204 537 Q C 1.942 177.899 176.000 -0.072 0.000 0.981 537 Q CA 1.425 57.194 55.803 -0.057 0.000 0.856 537 Q CB -0.444 28.260 28.738 -0.057 0.000 0.902 537 Q HN 0.227 nan 8.270 nan 0.000 0.425 538 I N 0.187 120.712 120.570 -0.075 0.000 2.333 538 I HA -0.207 3.963 4.170 0.001 0.000 0.246 538 I C 2.204 178.280 176.117 -0.068 0.000 1.106 538 I CA 0.797 62.045 61.300 -0.087 0.000 1.411 538 I CB -0.128 37.816 38.000 -0.093 0.000 1.082 538 I HN 0.156 nan 8.210 nan 0.000 0.420 539 K N 0.807 121.175 120.400 -0.053 0.000 2.113 539 K HA -0.186 4.134 4.320 0.001 0.000 0.208 539 K C 2.095 178.678 176.600 -0.028 0.000 1.047 539 K CA 1.276 57.541 56.287 -0.036 0.000 0.928 539 K CB -0.157 32.323 32.500 -0.033 0.000 0.716 539 K HN 0.302 nan 8.250 nan 0.000 0.446 540 L N 1.174 122.374 121.223 -0.039 0.000 1.989 540 L HA -0.235 4.106 4.340 0.001 0.000 0.211 540 L C 2.462 179.308 176.870 -0.040 0.000 1.071 540 L CA 1.396 56.214 54.840 -0.036 0.000 0.749 540 L CB -0.418 41.614 42.059 -0.045 0.000 0.890 540 L HN 0.271 nan 8.230 nan 0.000 0.431 541 E N -0.073 120.076 120.200 -0.085 0.000 2.097 541 E HA -0.281 4.070 4.350 0.001 0.000 0.196 541 E C 2.072 178.660 176.600 -0.020 0.000 1.000 541 E CA 1.323 57.630 56.400 -0.154 0.000 0.804 541 E CB -0.342 29.196 29.700 -0.271 0.000 0.740 541 E HN 0.602 nan 8.360 nan 0.000 0.454 542 Q N 0.220 120.032 119.800 0.021 0.000 2.096 542 Q HA -0.123 4.217 4.340 0.001 0.000 0.204 542 Q C 2.112 178.184 176.000 0.121 0.000 0.982 542 Q CA 1.550 57.413 55.803 0.099 0.000 0.850 542 Q CB -0.262 28.500 28.738 0.041 0.000 0.901 542 Q HN 0.257 nan 8.270 nan 0.000 0.422 543 A N 1.021 123.884 122.820 0.072 0.000 2.178 543 A HA -0.163 4.158 4.320 0.001 0.000 0.218 543 A C 1.651 179.294 177.584 0.099 0.000 1.157 543 A CA 1.071 53.148 52.037 0.066 0.000 0.689 543 A CB -0.159 18.862 19.000 0.035 0.000 0.787 543 A HN 0.196 nan 8.150 nan 0.000 0.465 544 K N -1.507 118.993 120.400 0.167 0.000 2.365 544 K HA 0.214 4.535 4.320 0.001 0.000 0.197 544 K C 0.785 177.540 176.600 0.258 0.000 1.042 544 K CA 0.548 56.977 56.287 0.237 0.000 0.987 544 K CB 0.086 32.770 32.500 0.307 0.000 0.779 544 K HN 0.620 nan 8.250 nan 0.000 0.484 545 G N 1.171 110.124 108.800 0.256 0.000 2.337 545 G HA2 -0.126 3.834 3.960 0.001 0.000 0.134 545 G HA3 -0.126 3.834 3.960 0.001 0.000 0.134 545 G C -0.727 174.084 174.900 -0.149 0.000 1.052 545 G CA -0.856 44.261 45.100 0.029 0.000 0.737 545 G HN 0.060 nan 8.290 nan 0.000 0.485 546 F N 1.298 121.256 119.950 0.013 0.000 2.551 546 F HA 0.772 5.300 4.527 0.001 0.000 0.316 546 F C 0.802 176.607 175.800 0.008 0.000 1.089 546 F CA -0.577 57.434 58.000 0.017 0.000 0.915 546 F CB 2.079 41.084 39.000 0.009 0.000 1.186 546 F HN 0.302 nan 8.300 nan 0.000 0.456 547 S N 1.943 117.747 115.700 0.173 0.000 2.707 547 S HA 0.517 4.988 4.470 0.001 0.000 0.276 547 S C 0.864 175.487 174.600 0.039 0.000 1.179 547 S CA -0.776 57.483 58.200 0.098 0.000 0.992 547 S CB 0.780 64.061 63.200 0.135 0.000 1.030 547 S HN 0.649 nan 8.310 nan 0.000 0.554 548 L N -0.579 120.568 121.223 -0.126 0.000 2.275 548 L HA -0.046 4.295 4.340 0.001 0.000 0.215 548 L C 1.903 178.593 176.870 -0.300 0.000 1.119 548 L CA 1.089 55.778 54.840 -0.252 0.000 0.790 548 L CB -0.767 41.056 42.059 -0.395 0.000 0.919 548 L HN 0.682 nan 8.230 nan 0.000 0.443 549 Y N -0.690 119.545 120.300 -0.108 0.000 2.373 549 Y HA -0.071 4.479 4.550 0.001 0.000 0.293 549 Y C 2.399 178.264 175.900 -0.058 0.000 1.129 549 Y CA 0.831 58.773 58.100 -0.263 0.000 1.226 549 Y CB -0.382 37.919 38.460 -0.265 0.000 1.000 549 Y HN 0.122 nan 8.280 nan 0.000 0.549 550 M N -0.453 119.270 119.600 0.205 0.000 2.556 550 M HA 0.092 4.573 4.480 0.001 0.000 0.245 550 M C -0.140 176.320 176.300 0.266 0.000 1.128 550 M CA 0.598 56.060 55.300 0.270 0.000 1.069 550 M CB 0.115 32.885 32.600 0.282 0.000 1.469 550 M HN 0.003 nan 8.290 nan 0.000 0.494 551 L N -0.091 121.219 121.223 0.145 0.000 2.358 551 L HA 0.387 4.728 4.340 0.001 0.000 0.268 551 L C 0.639 177.469 176.870 -0.067 0.000 1.032 551 L CA -0.906 53.944 54.840 0.018 0.000 0.805 551 L CB 0.967 42.985 42.059 -0.068 0.000 1.253 551 L HN 0.043 nan 8.230 nan 0.000 0.452 552 R N 1.625 121.986 120.500 -0.232 0.000 4.154 552 R HA 0.408 4.749 4.340 0.001 0.000 0.186 552 R C -0.553 175.457 176.300 -0.483 0.000 1.750 552 R CA -0.144 55.622 56.100 -0.558 0.000 1.431 552 R CB -0.363 29.638 30.300 -0.498 0.000 1.383 552 R HN 0.587 nan 8.270 nan 0.000 0.788 553 A N 1.686 124.316 122.820 -0.317 0.000 2.498 553 A HA 0.744 5.065 4.320 0.001 0.000 0.298 553 A C -1.053 176.463 177.584 -0.114 0.000 1.075 553 A CA -0.696 51.212 52.037 -0.215 0.000 0.714 553 A CB 1.802 20.699 19.000 -0.171 0.000 1.299 553 A HN 0.465 nan 8.150 nan 0.000 0.407 554 I N 0.609 121.099 120.570 -0.132 0.000 2.994 554 I HA 0.509 4.680 4.170 0.001 0.000 0.306 554 I C -1.188 174.844 176.117 -0.141 0.000 1.195 554 I CA -1.125 60.112 61.300 -0.106 0.000 1.001 554 I CB 1.952 39.916 38.000 -0.060 0.000 1.244 554 I HN 0.653 nan 8.210 nan 0.000 0.437 555 I N 3.953 124.421 120.570 -0.170 0.000 2.474 555 I HA 0.161 4.331 4.170 0.001 0.000 0.287 555 I C 0.521 176.580 176.117 -0.098 0.000 1.048 555 I CA -0.105 61.092 61.300 -0.172 0.000 1.383 555 I CB 1.434 39.300 38.000 -0.223 0.000 1.412 555 I HN 0.614 nan 8.210 nan 0.000 0.531 556 S N 4.153 119.822 115.700 -0.052 0.000 2.584 556 S HA 0.096 4.566 4.470 0.001 0.000 0.270 556 S C 1.412 176.057 174.600 0.074 0.000 1.346 556 S CA -0.219 57.993 58.200 0.021 0.000 1.018 556 S CB 1.298 64.513 63.200 0.025 0.000 0.899 556 S HN 0.870 nan 8.310 nan 0.000 0.542 557 G N 1.049 109.941 108.800 0.153 0.000 2.475 557 G HA2 -0.277 3.683 3.960 0.001 0.000 0.220 557 G HA3 -0.277 3.683 3.960 0.001 0.000 0.220 557 G C 1.446 176.471 174.900 0.209 0.000 1.125 557 G CA 0.941 46.191 45.100 0.250 0.000 0.755 557 G HN 0.830 nan 8.290 nan 0.000 0.565 558 R N 0.001 120.589 120.500 0.148 0.000 2.092 558 R HA 0.125 4.465 4.340 0.001 0.000 0.231 558 R C 1.967 178.383 176.300 0.193 0.000 1.119 558 R CA 1.348 57.531 56.100 0.138 0.000 0.970 558 R CB -0.302 30.047 30.300 0.081 0.000 0.864 558 R HN 0.493 nan 8.270 nan 0.000 0.440 559 G N 0.565 109.469 108.800 0.174 0.000 2.144 559 G HA2 -0.213 3.747 3.960 0.001 0.000 0.218 559 G HA3 -0.213 3.747 3.960 0.001 0.000 0.218 559 G C 0.066 175.045 174.900 0.132 0.000 0.988 559 G CA 0.471 45.717 45.100 0.242 0.000 0.659 559 G HN 0.624 nan 8.290 nan 0.000 0.522 560 D N 0.233 120.668 120.400 0.059 0.000 2.431 560 D HA 0.264 4.905 4.640 0.001 0.000 0.213 560 D C 0.576 176.843 176.300 -0.055 0.000 1.130 560 D CA 0.717 54.731 54.000 0.023 0.000 0.834 560 D CB 0.093 40.939 40.800 0.077 0.000 0.985 560 D HN 0.837 nan 8.370 nan 0.000 0.504 561 E N -1.291 118.854 120.200 -0.092 0.000 2.388 561 E HA 0.459 4.810 4.350 0.001 0.000 0.280 561 E C -1.600 174.922 176.600 -0.131 0.000 1.019 561 E CA -1.141 55.195 56.400 -0.107 0.000 0.806 561 E CB 1.417 31.083 29.700 -0.056 0.000 1.246 561 E HN -0.179 nan 8.360 nan 0.000 0.443 562 V N 2.732 122.562 119.914 -0.140 0.000 2.439 562 V HA 0.468 4.589 4.120 0.001 0.000 0.282 562 V C 0.266 176.298 176.094 -0.104 0.000 1.039 562 V CA -0.508 61.706 62.300 -0.144 0.000 0.913 562 V CB 0.736 32.459 31.823 -0.168 0.000 0.983 562 V HN 0.642 nan 8.190 nan 0.000 0.460 563 I N 0.344 120.857 120.570 -0.095 0.000 2.608 563 I HA 0.642 4.813 4.170 0.001 0.000 0.295 563 I C -0.070 175.989 176.117 -0.096 0.000 1.049 563 I CA -0.844 60.411 61.300 -0.074 0.000 1.063 563 I CB 2.052 40.029 38.000 -0.038 0.000 1.248 563 I HN 0.416 nan 8.210 nan 0.000 0.424 564 E N 5.059 125.204 120.200 -0.091 0.000 2.415 564 E HA 0.190 4.540 4.350 0.001 0.000 0.263 564 E C -0.767 175.763 176.600 -0.116 0.000 0.995 564 E CA -0.018 56.312 56.400 -0.117 0.000 0.915 564 E CB 1.235 30.882 29.700 -0.087 0.000 0.951 564 E HN 0.496 nan 8.360 nan 0.000 0.449 565 L N 2.928 124.016 121.223 -0.225 0.000 2.315 565 L HA 0.222 4.562 4.340 0.001 0.000 0.283 565 L C 0.557 177.394 176.870 -0.056 0.000 1.089 565 L CA -0.317 54.383 54.840 -0.234 0.000 0.833 565 L CB 0.805 42.404 42.059 -0.768 0.000 1.170 565 L HN 0.453 nan 8.230 nan 0.000 0.442 566 A N 4.084 126.981 122.820 0.129 0.000 2.264 566 A HA 0.404 4.725 4.320 0.001 0.000 0.304 566 A C -0.132 177.602 177.584 0.249 0.000 1.100 566 A CA -0.703 51.418 52.037 0.141 0.000 0.839 566 A CB 0.706 19.764 19.000 0.097 0.000 1.121 566 A HN 0.707 nan 8.150 nan 0.000 0.496 567 K N 0.767 121.255 120.400 0.147 0.000 2.383 567 K HA 0.264 4.585 4.320 0.001 0.000 0.286 567 K C -0.937 175.703 176.600 0.067 0.000 1.051 567 K CA 0.490 56.846 56.287 0.115 0.000 0.974 567 K CB 0.109 32.641 32.500 0.054 0.000 0.968 567 K HN 0.519 nan 8.250 nan 0.000 0.475 568 T N 5.145 119.713 114.554 0.023 0.000 2.912 568 T HA 0.236 4.586 4.350 0.001 0.000 0.326 568 T C -1.031 173.610 174.700 -0.098 0.000 1.080 568 T CA -0.914 61.146 62.100 -0.067 0.000 1.000 568 T CB 0.318 69.005 68.868 -0.302 0.000 1.008 568 T HN 0.551 nan 8.240 nan 0.000 0.473 569 N N 3.015 121.712 118.700 -0.006 0.000 2.415 569 N HA 0.092 4.832 4.740 0.001 0.000 0.246 569 N C -0.478 175.137 175.510 0.175 0.000 1.078 569 N CA -0.401 52.660 53.050 0.017 0.000 0.942 569 N CB 0.600 39.102 38.487 0.025 0.000 1.140 569 N HN 0.504 nan 8.380 nan 0.000 0.501 570 W N 3.469 124.777 121.300 0.013 0.000 2.489 570 W HA 0.064 4.724 4.660 0.001 0.000 0.327 570 W C 0.658 177.194 176.519 0.027 0.000 1.436 570 W CA -1.034 56.326 57.345 0.026 0.000 1.315 570 W CB -0.701 28.805 29.460 0.076 0.000 1.373 570 W HN 0.328 nan 8.180 nan 0.000 0.557 571 L N 3.592 124.941 121.223 0.211 0.000 2.593 571 L HA 0.041 4.381 4.340 0.001 0.000 0.287 571 L C 1.290 178.225 176.870 0.108 0.000 1.243 571 L CA -0.592 54.317 54.840 0.115 0.000 0.890 571 L CB -0.145 41.951 42.059 0.062 0.000 1.134 571 L HN 0.601 nan 8.230 nan 0.000 0.502 572 R N 0.000 120.547 120.500 0.078 0.000 2.786 572 R HA 0.000 4.341 4.340 0.001 0.000 0.208 572 R CA 0.000 56.137 56.100 0.061 0.000 0.921 572 R CB 0.000 30.322 30.300 0.037 0.000 0.687 572 R HN 0.000 nan 8.270 nan 0.000 0.535