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 3c8d_1_C DATA FIRST_RESID 6 DATA SEQUENCE VGSESWWQSK HGPEWQRLND EMFEVTFWWR DPQGSEEYST IKRVWVYITG DATA SEQUENCE VTXXXXXXXP QSMQRIAGTD VWQWTTQLNA NWRGSYCFIP TERDDIFSAP DATA SEQUENCE SPDRLELREG WRKLLPQAIA DPLNPQSWKG GLGHAVSALE MPQAPLQPGW DATA SEQUENCE DCPQAPEIPA KEIIWKSERL KNSRRVWIFT TGXXXXXERP LAVLLDGEFW DATA SEQUENCE AQSMPVWPVL TSLTHRQQLP PAVYVLIDAI DTTHRAHELP CNADFWLAVQ DATA SEQUENCE QELLPLVKVI APFSDRADRT VVAGQSFGGL SALYAGLHWP ERFGCVLSQS DATA SEQUENCE GSYWWPHRGG QQEGVLLEKL KAGEVSAEGL RIVLEAGIRE PMIMRANQAL DATA SEQUENCE YAQLHPIKES IFWRQVDGGH DALCWRGGLM QGLIDLWQPL F 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 6 V HA 0.000 nan 4.120 nan 0.000 0.244 6 V C 0.000 175.504 176.094 -0.984 0.000 1.182 6 V CA 0.000 61.564 62.300 -1.227 0.000 1.235 6 V CB 0.000 31.312 31.823 -0.852 0.000 1.184 7 G N 3.208 111.150 108.800 -1.430 0.000 2.189 7 G HA2 -0.261 3.700 3.960 0.002 0.000 0.267 7 G HA3 -0.261 3.700 3.960 0.002 0.000 0.267 7 G C 0.488 175.377 174.900 -0.020 0.000 0.975 7 G CA 0.756 45.489 45.100 -0.612 0.000 0.644 7 G HN 1.203 nan 8.290 nan 0.000 0.537 8 S N -0.327 115.357 115.700 -0.027 0.000 2.576 8 S HA 0.408 4.879 4.470 0.002 0.000 0.276 8 S C 1.512 176.294 174.600 0.304 0.000 1.339 8 S CA 0.724 59.005 58.200 0.134 0.000 1.039 8 S CB 1.267 64.519 63.200 0.086 0.000 0.902 8 S HN 0.505 nan 8.310 nan 0.000 0.516 9 E N 2.886 123.232 120.200 0.244 0.000 2.114 9 E HA -0.173 4.178 4.350 0.002 0.000 0.199 9 E C 1.909 178.640 176.600 0.218 0.000 1.008 9 E CA 2.501 59.045 56.400 0.239 0.000 0.810 9 E CB -0.448 29.326 29.700 0.124 0.000 0.739 9 E HN 0.660 nan 8.360 nan 0.000 0.456 10 S N -0.963 114.829 115.700 0.154 0.000 2.368 10 S HA -0.172 4.299 4.470 0.002 0.000 0.224 10 S C 1.996 176.646 174.600 0.084 0.000 1.029 10 S CA 0.858 59.117 58.200 0.098 0.000 0.988 10 S CB -1.236 62.004 63.200 0.068 0.000 0.838 10 S HN 0.584 nan 8.310 nan 0.000 0.462 11 W N 1.289 122.533 121.300 -0.093 0.000 2.321 11 W HA -0.092 4.569 4.660 0.001 0.000 0.306 11 W C 1.784 178.128 176.519 -0.291 0.000 1.217 11 W CA 1.359 58.561 57.345 -0.238 0.000 1.257 11 W CB -0.528 28.726 29.460 -0.345 0.000 1.145 11 W HN 0.322 nan 8.180 nan 0.000 0.509 12 W N 0.217 121.592 121.300 0.126 0.000 2.402 12 W HA -0.143 4.518 4.660 0.002 0.000 0.286 12 W C 2.525 178.907 176.519 -0.229 0.000 1.221 12 W CA 1.231 58.552 57.345 -0.041 0.000 1.257 12 W CB -0.575 28.936 29.460 0.085 0.000 1.120 12 W HN -0.073 nan 8.180 nan 0.000 0.551 13 Q N -0.219 119.617 119.800 0.059 0.000 2.364 13 Q HA -0.155 4.185 4.340 0.002 0.000 0.209 13 Q C 2.098 177.980 176.000 -0.197 0.000 0.977 13 Q CA 1.618 57.405 55.803 -0.027 0.000 0.885 13 Q CB -0.404 28.347 28.738 0.022 0.000 0.941 13 Q HN 0.308 nan 8.270 nan 0.000 0.464 14 S N -0.258 115.249 115.700 -0.323 0.000 2.561 14 S HA 0.044 4.515 4.470 0.002 0.000 0.225 14 S C 0.556 174.768 174.600 -0.646 0.000 0.977 14 S CA 0.082 58.055 58.200 -0.379 0.000 0.926 14 S CB 0.215 63.153 63.200 -0.438 0.000 0.769 14 S HN -0.008 nan 8.310 nan 0.000 0.533 15 K N 2.288 122.250 120.400 -0.730 0.000 2.183 15 K HA 0.321 4.642 4.320 0.002 0.000 0.274 15 K C -0.319 175.857 176.600 -0.706 0.000 1.009 15 K CA -0.312 55.620 56.287 -0.591 0.000 0.888 15 K CB 0.631 32.945 32.500 -0.309 0.000 1.078 15 K HN 0.418 nan 8.250 nan 0.000 0.459 16 H N 0.458 119.567 119.070 0.064 0.000 2.907 16 H HA 0.291 4.848 4.556 0.001 0.000 0.233 16 H C 0.626 176.069 175.328 0.191 0.000 1.285 16 H CA -0.276 55.842 56.048 0.117 0.000 0.981 16 H CB 0.978 30.779 29.762 0.066 0.000 2.255 16 H HN 0.894 nan 8.280 nan 0.000 0.601 17 G N 1.292 110.292 108.800 0.333 0.000 2.320 17 G HA2 -0.055 3.906 3.960 0.002 0.000 0.274 17 G HA3 -0.055 3.906 3.960 0.002 0.000 0.274 17 G C -3.056 172.117 174.900 0.456 0.000 1.324 17 G CA -1.215 44.136 45.100 0.418 0.000 0.957 17 G HN -0.051 nan 8.290 nan 0.000 0.481 18 P HA 0.411 nan 4.420 nan 0.000 0.269 18 P C -0.497 176.961 177.300 0.264 0.000 1.215 18 P CA 0.337 63.542 63.100 0.176 0.000 0.780 18 P CB 0.678 32.280 31.700 -0.163 0.000 0.898 19 E N 0.828 121.113 120.200 0.141 0.000 2.288 19 E HA 0.535 4.885 4.350 0.002 0.000 0.268 19 E C -1.081 175.587 176.600 0.113 0.000 0.885 19 E CA -0.625 55.759 56.400 -0.026 0.000 0.767 19 E CB 1.395 31.106 29.700 0.019 0.000 1.220 19 E HN 0.458 nan 8.360 nan 0.000 0.427 20 W N 0.670 121.981 121.300 0.018 0.000 2.975 20 W HA 0.674 5.334 4.660 0.001 0.000 0.342 20 W C -1.160 175.468 176.519 0.181 0.000 1.168 20 W CA -0.788 56.604 57.345 0.079 0.000 1.141 20 W CB 1.034 30.538 29.460 0.073 0.000 1.445 20 W HN 0.249 nan 8.180 nan 0.000 0.560 21 Q N 1.098 121.168 119.800 0.450 0.000 2.309 21 Q HA 0.332 4.673 4.340 0.002 0.000 0.273 21 Q C -0.705 175.297 176.000 0.004 0.000 1.040 21 Q CA -1.159 54.782 55.803 0.231 0.000 0.834 21 Q CB 2.649 31.423 28.738 0.060 0.000 1.345 21 Q HN 0.401 nan 8.270 nan 0.000 0.414 22 R N 1.749 122.050 120.500 -0.331 0.000 2.473 22 R HA -0.030 4.311 4.340 0.002 0.000 0.315 22 R C 0.299 176.353 176.300 -0.409 0.000 0.972 22 R CA 0.048 55.644 56.100 -0.839 0.000 1.047 22 R CB 0.377 30.351 30.300 -0.544 0.000 0.932 22 R HN 0.469 nan 8.270 nan 0.000 0.411 23 L N 3.327 124.317 121.223 -0.388 0.000 2.121 23 L HA -0.010 4.331 4.340 0.002 0.000 0.200 23 L C 0.440 177.214 176.870 -0.160 0.000 1.077 23 L CA 1.778 56.503 54.840 -0.191 0.000 0.766 23 L CB -0.263 41.723 42.059 -0.122 0.000 0.931 23 L HN 0.693 nan 8.230 nan 0.000 0.452 24 N N -3.555 115.044 118.700 -0.168 0.000 3.283 24 N HA 0.167 4.908 4.740 0.002 0.000 0.338 24 N C 0.385 175.826 175.510 -0.115 0.000 1.517 24 N CA -0.560 52.422 53.050 -0.113 0.000 0.733 24 N CB -0.259 38.191 38.487 -0.061 0.000 1.797 24 N HN -0.202 nan 8.380 nan 0.000 0.637 25 D N -0.573 119.794 120.400 -0.055 0.000 2.158 25 D HA -0.211 4.430 4.640 0.002 0.000 0.197 25 D C 0.730 177.037 176.300 0.012 0.000 0.995 25 D CA 1.613 55.602 54.000 -0.019 0.000 0.846 25 D CB 0.207 41.008 40.800 0.001 0.000 0.941 25 D HN 0.750 nan 8.370 nan 0.000 0.456 26 E N -1.536 118.671 120.200 0.010 0.000 2.447 26 E HA 0.083 4.434 4.350 0.002 0.000 0.204 26 E C 0.152 176.803 176.600 0.084 0.000 0.977 26 E CA -0.124 56.306 56.400 0.051 0.000 0.950 26 E CB 0.514 30.235 29.700 0.036 0.000 0.975 26 E HN -0.064 nan 8.360 nan 0.000 0.496 27 M N -0.004 119.620 119.600 0.040 0.000 2.572 27 M HA 0.474 4.955 4.480 0.002 0.000 0.299 27 M C -1.815 174.494 176.300 0.015 0.000 1.205 27 M CA -0.564 54.774 55.300 0.063 0.000 0.876 27 M CB 1.740 34.344 32.600 0.006 0.000 1.728 27 M HN -0.069 nan 8.290 nan 0.000 0.458 28 F N 0.698 120.641 119.950 -0.011 0.000 2.577 28 F HA 0.537 5.065 4.527 0.002 0.000 0.318 28 F C -0.406 175.379 175.800 -0.024 0.000 1.065 28 F CA -0.506 57.500 58.000 0.011 0.000 0.929 28 F CB 1.904 40.918 39.000 0.023 0.000 1.237 28 F HN 0.572 nan 8.300 nan 0.000 0.468 29 E N 1.641 121.933 120.200 0.154 0.000 2.191 29 E HA 0.704 5.055 4.350 0.002 0.000 0.278 29 E C -1.896 174.762 176.600 0.098 0.000 0.972 29 E CA -0.679 55.752 56.400 0.051 0.000 0.804 29 E CB 1.925 31.615 29.700 -0.017 0.000 1.110 29 E HN 0.339 nan 8.360 nan 0.000 0.394 30 V N 3.108 122.997 119.914 -0.042 0.000 2.638 30 V HA 0.381 4.502 4.120 0.002 0.000 0.306 30 V C -0.487 175.433 176.094 -0.289 0.000 1.052 30 V CA -0.788 61.447 62.300 -0.109 0.000 0.885 30 V CB 2.145 33.840 31.823 -0.213 0.000 0.999 30 V HN 0.867 nan 8.190 nan 0.000 0.424 31 T N 5.031 119.407 114.554 -0.298 0.000 2.779 31 T HA 0.681 5.032 4.350 0.002 0.000 0.280 31 T C -0.706 173.702 174.700 -0.487 0.000 0.987 31 T CA -0.117 61.762 62.100 -0.368 0.000 0.966 31 T CB 0.647 69.308 68.868 -0.345 0.000 0.933 31 T HN 0.281 nan 8.240 nan 0.000 0.442 32 F N 1.636 121.466 119.950 -0.200 0.000 2.422 32 F HA 0.615 5.143 4.527 0.001 0.000 0.333 32 F C -0.348 175.363 175.800 -0.148 0.000 1.095 32 F CA -1.155 56.862 58.000 0.028 0.000 1.038 32 F CB 1.129 40.294 39.000 0.274 0.000 1.156 32 F HN 0.522 nan 8.300 nan 0.000 0.483 33 W N 2.360 124.004 121.300 0.573 0.000 2.632 33 W HA 0.461 5.122 4.660 0.002 0.000 0.328 33 W C -1.329 175.591 176.519 0.669 0.000 1.044 33 W CA -0.860 56.832 57.345 0.579 0.000 1.225 33 W CB 1.481 31.276 29.460 0.558 0.000 1.396 33 W HN 0.489 nan 8.180 nan 0.000 0.499 34 W N 4.700 126.374 121.300 0.622 0.000 2.839 34 W HA 0.552 5.213 4.660 0.001 0.000 0.334 34 W C -0.873 175.931 176.519 0.476 0.000 1.064 34 W CA -1.718 55.867 57.345 0.399 0.000 1.236 34 W CB 1.261 30.672 29.460 -0.082 0.000 1.405 34 W HN 0.260 nan 8.180 nan 0.000 0.478 35 R N 4.326 124.340 120.500 -0.809 0.000 2.221 35 R HA 0.123 4.464 4.340 0.002 0.000 0.327 35 R C -0.503 174.904 176.300 -1.488 0.000 1.033 35 R CA -0.378 55.027 56.100 -1.159 0.000 0.887 35 R CB 0.611 29.888 30.300 -1.705 0.000 1.057 35 R HN 0.394 nan 8.270 nan 0.000 0.455 36 D N 6.182 126.062 120.400 -0.867 0.000 2.344 36 D HA 0.084 4.724 4.640 0.002 0.000 0.253 36 D C -1.671 174.411 176.300 -0.363 0.000 1.255 36 D CA -2.125 51.453 54.000 -0.703 0.000 0.894 36 D CB 1.679 42.523 40.800 0.073 0.000 1.067 36 D HN 0.384 nan 8.370 nan 0.000 0.492 37 P HA -0.083 nan 4.420 nan 0.000 0.225 37 P C 0.602 177.869 177.300 -0.054 0.000 1.148 37 P CA 0.931 63.935 63.100 -0.161 0.000 0.779 37 P CB 0.284 31.937 31.700 -0.079 0.000 0.780 38 Q N -0.968 118.838 119.800 0.011 0.000 2.280 38 Q HA 0.311 4.652 4.340 0.002 0.000 0.202 38 Q C 1.023 177.088 176.000 0.109 0.000 0.903 38 Q CA 0.158 56.002 55.803 0.070 0.000 0.948 38 Q CB 0.059 28.867 28.738 0.117 0.000 1.058 38 Q HN 0.152 nan 8.270 nan 0.000 0.493 39 G N 1.250 110.098 108.800 0.079 0.000 2.542 39 G HA2 -0.306 3.655 3.960 0.002 0.000 0.235 39 G HA3 -0.306 3.655 3.960 0.002 0.000 0.235 39 G C -0.012 174.990 174.900 0.169 0.000 1.286 39 G CA -0.279 44.891 45.100 0.116 0.000 0.904 39 G HN 0.474 nan 8.290 nan 0.000 0.577 40 S N 0.222 116.028 115.700 0.177 0.000 2.617 40 S HA 0.408 4.879 4.470 0.002 0.000 0.259 40 S C 1.610 176.266 174.600 0.094 0.000 1.301 40 S CA 1.015 59.280 58.200 0.108 0.000 0.984 40 S CB 1.345 64.588 63.200 0.073 0.000 0.954 40 S HN 1.601 nan 8.310 nan 0.000 0.572 41 E N 0.352 120.559 120.200 0.012 0.000 2.401 41 E HA -0.184 4.167 4.350 0.002 0.000 0.199 41 E C 0.918 177.484 176.600 -0.057 0.000 1.023 41 E CA 0.978 57.381 56.400 0.006 0.000 0.859 41 E CB -0.354 29.317 29.700 -0.049 0.000 0.780 41 E HN 0.718 nan 8.360 nan 0.000 0.523 42 E N -0.182 119.922 120.200 -0.160 0.000 2.274 42 E HA -0.086 4.265 4.350 0.002 0.000 0.194 42 E C 0.873 177.119 176.600 -0.590 0.000 0.996 42 E CA 0.880 57.024 56.400 -0.427 0.000 0.840 42 E CB -0.131 29.190 29.700 -0.632 0.000 0.772 42 E HN 0.529 nan 8.360 nan 0.000 0.491 43 Y N -0.796 119.527 120.300 0.038 0.000 2.585 43 Y HA 0.196 4.747 4.550 0.002 0.000 0.272 43 Y C 1.263 177.198 175.900 0.058 0.000 1.119 43 Y CA -0.275 57.849 58.100 0.040 0.000 1.255 43 Y CB 0.012 38.490 38.460 0.031 0.000 1.284 43 Y HN -0.213 nan 8.280 nan 0.000 0.499 44 S N 0.779 116.608 115.700 0.216 0.000 2.568 44 S HA 0.025 4.496 4.470 0.002 0.000 0.282 44 S C 1.391 176.084 174.600 0.154 0.000 1.338 44 S CA 0.486 58.805 58.200 0.199 0.000 1.045 44 S CB 0.627 63.986 63.200 0.265 0.000 0.873 44 S HN 0.481 nan 8.310 nan 0.000 0.516 45 T N 1.965 116.599 114.554 0.134 0.000 3.081 45 T HA 0.281 4.632 4.350 0.002 0.000 0.250 45 T C 0.589 175.340 174.700 0.085 0.000 1.100 45 T CA -0.240 61.916 62.100 0.092 0.000 1.038 45 T CB -0.209 68.699 68.868 0.067 0.000 0.962 45 T HN 0.459 nan 8.240 nan 0.000 0.516 46 I N 2.701 123.348 120.570 0.127 0.000 2.379 46 I HA 0.352 4.523 4.170 0.002 0.000 0.290 46 I C 0.922 177.113 176.117 0.123 0.000 1.063 46 I CA -0.498 60.837 61.300 0.058 0.000 1.351 46 I CB 1.256 39.260 38.000 0.007 0.000 1.410 46 I HN 0.035 nan 8.210 nan 0.000 0.505 47 K N 5.906 126.320 120.400 0.023 0.000 2.276 47 K HA 0.232 4.553 4.320 0.002 0.000 0.198 47 K C 0.571 177.190 176.600 0.032 0.000 1.052 47 K CA 0.684 57.021 56.287 0.083 0.000 0.984 47 K CB 0.519 33.041 32.500 0.036 0.000 0.836 47 K HN 0.508 nan 8.250 nan 0.000 0.490 48 R N -0.066 120.281 120.500 -0.255 0.000 2.774 48 R HA 0.488 4.829 4.340 0.002 0.000 0.272 48 R C -1.031 174.718 176.300 -0.917 0.000 1.000 48 R CA -0.789 54.961 56.100 -0.582 0.000 0.906 48 R CB 2.257 32.071 30.300 -0.811 0.000 1.227 48 R HN -0.288 nan 8.270 nan 0.000 0.468 49 V N 1.595 120.874 119.914 -1.059 0.000 2.398 49 V HA 0.299 4.420 4.120 0.002 0.000 0.282 49 V C -1.031 174.613 176.094 -0.750 0.000 1.014 49 V CA -0.947 60.780 62.300 -0.955 0.000 0.838 49 V CB 0.857 32.043 31.823 -1.062 0.000 1.018 49 V HN 0.613 nan 8.190 nan 0.000 0.432 50 W N 3.120 124.265 121.300 -0.258 0.000 2.316 50 W HA 0.559 5.220 4.660 0.001 0.000 0.311 50 W C 0.015 176.488 176.519 -0.077 0.000 1.217 50 W CA -0.715 56.563 57.345 -0.111 0.000 1.199 50 W CB 1.269 30.792 29.460 0.105 0.000 1.202 50 W HN 0.302 nan 8.180 nan 0.000 0.528 51 V N 4.923 124.835 119.914 -0.003 0.000 2.353 51 V HA 0.014 4.135 4.120 0.002 0.000 0.264 51 V C -0.773 175.313 176.094 -0.014 0.000 1.049 51 V CA -0.807 61.445 62.300 -0.079 0.000 0.896 51 V CB -0.324 31.167 31.823 -0.554 0.000 1.025 51 V HN 0.357 nan 8.190 nan 0.000 0.475 52 Y N 6.477 126.749 120.300 -0.046 0.000 2.504 52 Y HA 0.548 5.099 4.550 0.002 0.000 0.339 52 Y C 0.093 175.916 175.900 -0.128 0.000 0.974 52 Y CA -0.814 57.138 58.100 -0.248 0.000 1.232 52 Y CB 0.675 38.930 38.460 -0.341 0.000 1.108 52 Y HN 0.543 nan 8.280 nan 0.000 0.509 53 I N 5.951 126.259 120.570 -0.435 0.000 2.304 53 I HA 0.157 4.328 4.170 0.002 0.000 0.291 53 I C 0.340 176.273 176.117 -0.306 0.000 1.018 53 I CA -0.610 60.577 61.300 -0.188 0.000 1.260 53 I CB 1.089 39.027 38.000 -0.102 0.000 1.390 53 I HN 0.500 nan 8.210 nan 0.000 0.475 54 T N 5.174 119.659 114.554 -0.114 0.000 2.871 54 T HA 0.129 4.480 4.350 0.002 0.000 0.296 54 T C 1.234 175.929 174.700 -0.009 0.000 0.998 54 T CA 1.039 63.070 62.100 -0.114 0.000 1.162 54 T CB 0.608 69.463 68.868 -0.022 0.000 0.947 54 T HN 1.087 nan 8.240 nan 0.000 0.536 55 G N 2.005 110.758 108.800 -0.078 0.000 2.168 55 G HA2 -0.256 3.705 3.960 0.002 0.000 0.263 55 G HA3 -0.256 3.705 3.960 0.002 0.000 0.263 55 G C 0.637 175.548 174.900 0.018 0.000 0.977 55 G CA 0.314 45.415 45.100 0.000 0.000 0.659 55 G HN 0.681 nan 8.290 nan 0.000 0.533 56 V N -1.042 118.825 119.914 -0.079 0.000 3.305 56 V HA 0.232 4.353 4.120 0.002 0.000 0.247 56 V C 1.625 177.611 176.094 -0.180 0.000 1.426 56 V CA 1.471 63.715 62.300 -0.093 0.000 1.162 56 V CB 0.744 32.503 31.823 -0.107 0.000 0.961 56 V HN 0.327 nan 8.190 nan 0.000 0.449 66 Q N 0.110 120.056 119.800 0.244 0.000 2.353 66 Q HA 0.692 5.033 4.340 0.002 0.000 0.268 66 Q C -0.678 175.348 176.000 0.043 0.000 1.045 66 Q CA -0.493 55.447 55.803 0.229 0.000 0.811 66 Q CB 2.069 30.946 28.738 0.233 0.000 1.305 66 Q HN 0.541 nan 8.270 nan 0.000 0.447 67 S N 2.997 118.597 115.700 -0.166 0.000 2.672 67 S HA 0.479 4.950 4.470 0.002 0.000 0.276 67 S C 0.230 174.633 174.600 -0.329 0.000 1.207 67 S CA -0.606 57.231 58.200 -0.605 0.000 1.002 67 S CB 0.672 63.279 63.200 -0.990 0.000 0.998 67 S HN 0.716 nan 8.310 nan 0.000 0.542 68 M N 2.352 121.773 119.600 -0.298 0.000 2.252 68 M HA 0.078 4.559 4.480 0.002 0.000 0.321 68 M C -0.255 176.212 176.300 0.279 0.000 1.070 68 M CA 0.432 55.782 55.300 0.083 0.000 1.143 68 M CB 0.199 32.882 32.600 0.138 0.000 1.498 68 M HN 0.665 nan 8.290 nan 0.000 0.445 69 Q N 2.251 122.203 119.800 0.253 0.000 2.333 69 Q HA 0.297 4.638 4.340 0.002 0.000 0.268 69 Q C -0.842 175.057 176.000 -0.169 0.000 1.007 69 Q CA -0.325 55.511 55.803 0.055 0.000 0.810 69 Q CB 1.208 29.965 28.738 0.031 0.000 1.264 69 Q HN 0.458 nan 8.270 nan 0.000 0.452 70 R N 4.114 124.156 120.500 -0.763 0.000 2.484 70 R HA 0.123 4.464 4.340 0.002 0.000 0.293 70 R C -0.349 175.681 176.300 -0.449 0.000 1.023 70 R CA -0.036 55.442 56.100 -1.037 0.000 1.037 70 R CB 0.252 29.693 30.300 -1.432 0.000 0.951 70 R HN 0.707 nan 8.270 nan 0.000 0.418 71 I N 5.014 125.403 120.570 -0.303 0.000 2.471 71 I HA 0.008 4.179 4.170 0.002 0.000 0.294 71 I C 0.944 176.925 176.117 -0.226 0.000 1.123 71 I CA -0.085 61.091 61.300 -0.207 0.000 1.336 71 I CB 0.284 38.191 38.000 -0.156 0.000 1.430 71 I HN 0.637 nan 8.210 nan 0.000 0.533 72 A N 4.992 127.692 122.820 -0.200 0.000 2.483 72 A HA 0.426 4.747 4.320 0.002 0.000 0.238 72 A C 1.421 178.927 177.584 -0.131 0.000 1.070 72 A CA 0.502 52.434 52.037 -0.175 0.000 0.770 72 A CB 0.010 18.926 19.000 -0.141 0.000 1.008 72 A HN 1.186 nan 8.150 nan 0.000 0.497 73 G N 0.985 109.722 108.800 -0.105 0.000 2.155 73 G HA2 -0.142 3.819 3.960 0.002 0.000 0.257 73 G HA3 -0.142 3.819 3.960 0.002 0.000 0.257 73 G C 0.300 175.163 174.900 -0.062 0.000 0.983 73 G CA 0.809 45.866 45.100 -0.071 0.000 0.676 73 G HN 1.516 nan 8.290 nan 0.000 0.528 74 T N -0.525 113.980 114.554 -0.080 0.000 2.864 74 T HA 0.508 4.859 4.350 0.002 0.000 0.299 74 T C 0.251 174.949 174.700 -0.004 0.000 1.166 74 T CA 0.061 62.124 62.100 -0.060 0.000 1.007 74 T CB 1.686 70.469 68.868 -0.141 0.000 1.219 74 T HN 0.160 nan 8.240 nan 0.000 0.506 75 D N -0.154 120.305 120.400 0.099 0.000 2.319 75 D HA 0.072 4.713 4.640 0.002 0.000 0.230 75 D C 0.289 176.811 176.300 0.370 0.000 1.094 75 D CA -0.072 54.043 54.000 0.191 0.000 0.856 75 D CB -0.350 40.534 40.800 0.140 0.000 0.915 75 D HN 0.218 nan 8.370 nan 0.000 0.517 76 V N 1.169 121.256 119.914 0.288 0.000 2.408 76 V HA 0.251 4.372 4.120 0.002 0.000 0.267 76 V C -0.452 175.833 176.094 0.317 0.000 1.047 76 V CA -0.732 61.834 62.300 0.444 0.000 0.937 76 V CB 0.053 31.883 31.823 0.012 0.000 0.999 76 V HN 0.059 nan 8.190 nan 0.000 0.472 77 W N 3.806 125.371 121.300 0.440 0.000 2.570 77 W HA 0.732 5.392 4.660 0.001 0.000 0.337 77 W C 0.123 176.837 176.519 0.325 0.000 1.067 77 W CA -0.470 57.072 57.345 0.328 0.000 1.229 77 W CB 1.380 31.057 29.460 0.362 0.000 1.355 77 W HN 0.648 nan 8.180 nan 0.000 0.555 78 Q N 1.014 121.024 119.800 0.351 0.000 2.534 78 Q HA 0.673 5.014 4.340 0.002 0.000 0.290 78 Q C -2.023 174.081 176.000 0.174 0.000 0.991 78 Q CA -1.085 54.763 55.803 0.074 0.000 0.783 78 Q CB 2.809 31.321 28.738 -0.376 0.000 1.470 78 Q HN 0.532 nan 8.270 nan 0.000 0.406 79 W N 0.952 122.186 121.300 -0.110 0.000 3.573 79 W HA 0.585 5.246 4.660 0.002 0.000 0.306 79 W C -1.924 174.618 176.519 0.039 0.000 1.227 79 W CA -0.016 57.321 57.345 -0.013 0.000 1.212 79 W CB 2.246 31.716 29.460 0.016 0.000 1.331 79 W HN 0.762 nan 8.180 nan 0.000 0.524 80 T N 4.018 118.185 114.554 -0.645 0.000 2.863 80 T HA 0.696 5.047 4.350 0.002 0.000 0.285 80 T C -0.734 173.367 174.700 -0.998 0.000 1.009 80 T CA -0.418 61.309 62.100 -0.621 0.000 0.989 80 T CB 2.014 70.679 68.868 -0.338 0.000 1.004 80 T HN 0.416 nan 8.240 nan 0.000 0.455 81 T N 1.344 115.451 114.554 -0.746 0.000 2.681 81 T HA 0.512 4.863 4.350 0.002 0.000 0.296 81 T C -1.763 172.756 174.700 -0.301 0.000 1.157 81 T CA -0.635 61.086 62.100 -0.632 0.000 1.025 81 T CB 1.716 70.072 68.868 -0.853 0.000 1.441 81 T HN 0.549 nan 8.240 nan 0.000 0.504 82 Q N 0.961 120.634 119.800 -0.212 0.000 2.337 82 Q HA 0.749 5.090 4.340 0.002 0.000 0.266 82 Q C -1.279 174.636 176.000 -0.143 0.000 1.023 82 Q CA -0.699 55.030 55.803 -0.123 0.000 0.829 82 Q CB 2.365 31.053 28.738 -0.083 0.000 1.306 82 Q HN 0.467 nan 8.270 nan 0.000 0.449 83 L N 1.258 122.417 121.223 -0.108 0.000 2.434 83 L HA 0.424 4.765 4.340 0.002 0.000 0.260 83 L C -0.289 176.580 176.870 -0.001 0.000 0.983 83 L CA -1.090 53.646 54.840 -0.173 0.000 0.820 83 L CB 2.003 43.842 42.059 -0.367 0.000 1.361 83 L HN 0.573 nan 8.230 nan 0.000 0.410 84 N N 0.928 119.648 118.700 0.034 0.000 2.407 84 N HA 0.020 4.761 4.740 0.002 0.000 0.250 84 N C 0.785 176.402 175.510 0.180 0.000 1.236 84 N CA 0.616 53.743 53.050 0.128 0.000 0.879 84 N CB 1.784 40.353 38.487 0.138 0.000 1.088 84 N HN 0.834 nan 8.380 nan 0.000 0.450 85 A N 3.468 126.445 122.820 0.261 0.000 2.225 85 A HA -0.138 4.183 4.320 0.002 0.000 0.215 85 A C 1.763 179.392 177.584 0.076 0.000 1.164 85 A CA 0.906 53.097 52.037 0.257 0.000 0.710 85 A CB -0.423 18.860 19.000 0.471 0.000 0.780 85 A HN 0.845 nan 8.150 nan 0.000 0.473 86 N N -2.062 116.706 118.700 0.112 0.000 2.424 86 N HA -0.043 4.698 4.740 0.002 0.000 0.178 86 N C 0.032 175.587 175.510 0.073 0.000 1.060 86 N CA -0.161 52.938 53.050 0.081 0.000 0.901 86 N CB 0.099 38.646 38.487 0.101 0.000 0.979 86 N HN 0.660 nan 8.380 nan 0.000 0.451 87 W N 2.078 123.320 121.300 -0.098 0.000 2.313 87 W HA 0.290 4.951 4.660 0.001 0.000 0.328 87 W C -0.010 176.432 176.519 -0.129 0.000 1.197 87 W CA -0.504 56.783 57.345 -0.096 0.000 1.235 87 W CB 0.636 30.047 29.460 -0.080 0.000 1.158 87 W HN -0.190 nan 8.180 nan 0.000 0.578 88 R N 4.330 124.206 120.500 -1.040 0.000 2.604 88 R HA 0.712 5.052 4.340 0.002 0.000 0.281 88 R C -0.984 174.274 176.300 -1.738 0.000 1.020 88 R CA -0.458 55.007 56.100 -1.060 0.000 0.899 88 R CB 1.391 31.365 30.300 -0.543 0.000 1.205 88 R HN 0.777 nan 8.270 nan 0.000 0.450 89 G N 0.995 108.920 108.800 -1.457 0.000 2.466 89 G HA2 0.293 4.254 3.960 0.002 0.000 0.291 89 G HA3 0.293 4.254 3.960 0.002 0.000 0.291 89 G C -1.520 173.338 174.900 -0.071 0.000 1.460 89 G CA -0.607 43.988 45.100 -0.841 0.000 0.791 89 G HN 0.653 nan 8.290 nan 0.000 0.505 90 S N -0.950 114.793 115.700 0.071 0.000 2.654 90 S HA 0.882 5.353 4.470 0.002 0.000 0.283 90 S C -0.528 174.216 174.600 0.239 0.000 1.180 90 S CA -0.520 57.765 58.200 0.142 0.000 1.021 90 S CB 1.457 64.689 63.200 0.053 0.000 1.018 90 S HN 1.775 nan 8.310 nan 0.000 0.532 91 Y N -2.039 118.279 120.300 0.030 0.000 2.689 91 Y HA 0.814 5.365 4.550 0.002 0.000 0.333 91 Y C -0.720 175.115 175.900 -0.109 0.000 1.190 91 Y CA -1.594 56.510 58.100 0.006 0.000 1.063 91 Y CB 0.618 39.123 38.460 0.077 0.000 1.294 91 Y HN 1.213 nan 8.280 nan 0.000 0.466 92 C N -0.434 118.849 119.300 -0.028 0.000 3.311 92 C HA 0.775 5.236 4.460 0.002 0.000 0.325 92 C C -1.354 173.656 174.990 0.034 0.000 1.352 92 C CA -1.369 57.503 59.018 -0.244 0.000 1.308 92 C CB 0.808 28.433 27.740 -0.192 0.000 1.619 92 C HN 0.940 nan 8.230 nan 0.000 0.469 93 F N 0.741 120.657 119.950 -0.056 0.000 2.440 93 F HA 0.735 5.263 4.527 0.001 0.000 0.328 93 F C 0.556 176.229 175.800 -0.211 0.000 1.070 93 F CA -1.153 56.757 58.000 -0.149 0.000 1.011 93 F CB 1.381 40.199 39.000 -0.304 0.000 1.226 93 F HN 0.435 nan 8.300 nan 0.000 0.491 94 I N 2.838 123.410 120.570 0.004 0.000 2.796 94 I HA 0.222 4.393 4.170 0.002 0.000 0.279 94 I C -2.802 173.174 176.117 -0.236 0.000 1.289 94 I CA -1.901 59.358 61.300 -0.067 0.000 1.021 94 I CB 0.746 38.818 38.000 0.120 0.000 1.414 94 I HN 0.126 nan 8.210 nan 0.000 0.562 95 P HA 0.154 nan 4.420 nan 0.000 0.271 95 P C -0.133 176.952 177.300 -0.358 0.000 1.216 95 P CA 0.355 63.038 63.100 -0.696 0.000 0.771 95 P CB 1.073 32.159 31.700 -1.023 0.000 0.864 96 T N 0.583 114.956 114.554 -0.301 0.000 2.982 96 T HA 0.236 4.587 4.350 0.002 0.000 0.321 96 T C 0.863 175.501 174.700 -0.104 0.000 1.229 96 T CA -0.472 61.540 62.100 -0.147 0.000 1.044 96 T CB 0.977 69.805 68.868 -0.067 0.000 1.184 96 T HN 0.382 nan 8.240 nan 0.000 0.477 97 E N 2.402 122.568 120.200 -0.057 0.000 2.152 97 E HA 0.038 4.389 4.350 0.002 0.000 0.192 97 E C 0.952 177.539 176.600 -0.022 0.000 0.983 97 E CA 0.414 56.799 56.400 -0.024 0.000 0.818 97 E CB -0.001 29.692 29.700 -0.012 0.000 0.758 97 E HN 0.329 nan 8.360 nan 0.000 0.467 98 R N 0.700 121.180 120.500 -0.034 0.000 2.585 98 R HA 0.016 4.357 4.340 0.002 0.000 0.275 98 R C -0.107 176.190 176.300 -0.005 0.000 1.018 98 R CA 0.892 56.971 56.100 -0.035 0.000 1.072 98 R CB 0.445 30.704 30.300 -0.067 0.000 0.953 98 R HN 0.197 nan 8.270 nan 0.000 0.419 99 D N 0.436 120.833 120.400 -0.004 0.000 2.497 99 D HA -0.028 4.613 4.640 0.002 0.000 0.256 99 D C -0.005 176.306 176.300 0.017 0.000 1.273 99 D CA 0.297 54.313 54.000 0.027 0.000 0.812 99 D CB 0.315 41.128 40.800 0.022 0.000 1.190 99 D HN 0.679 nan 8.370 nan 0.000 0.524 100 D N 0.047 120.430 120.400 -0.029 0.000 2.240 100 D HA -0.037 4.604 4.640 0.002 0.000 0.206 100 D C 1.019 177.260 176.300 -0.099 0.000 0.963 100 D CA 0.066 54.036 54.000 -0.049 0.000 0.863 100 D CB 0.225 40.987 40.800 -0.064 0.000 0.973 100 D HN 0.255 nan 8.370 nan 0.000 0.501 101 I N 1.286 121.743 120.570 -0.188 0.000 2.598 101 I HA -0.058 4.113 4.170 0.002 0.000 0.284 101 I C 0.088 175.975 176.117 -0.382 0.000 1.140 101 I CA -0.271 60.764 61.300 -0.441 0.000 1.420 101 I CB -0.147 37.443 38.000 -0.683 0.000 1.387 101 I HN -0.170 nan 8.210 nan 0.000 0.553 102 F N 3.253 123.045 119.950 -0.264 0.000 3.074 102 F HA -0.278 4.250 4.527 0.002 0.000 0.289 102 F C 1.787 177.559 175.800 -0.047 0.000 0.863 102 F CA 0.765 58.616 58.000 -0.248 0.000 1.121 102 F CB -2.645 36.024 39.000 -0.552 0.000 1.169 102 F HN 0.529 nan 8.300 nan 0.000 0.570 103 S N -1.017 114.756 115.700 0.121 0.000 2.356 103 S HA 0.134 4.605 4.470 0.002 0.000 0.223 103 S C 1.487 176.138 174.600 0.085 0.000 1.032 103 S CA 0.864 59.125 58.200 0.101 0.000 1.005 103 S CB -0.138 63.091 63.200 0.049 0.000 0.867 103 S HN 0.668 nan 8.310 nan 0.000 0.449 104 A N 2.899 125.758 122.820 0.065 0.000 2.409 104 A HA 0.496 4.817 4.320 0.002 0.000 0.262 104 A C -2.384 175.223 177.584 0.038 0.000 1.113 104 A CA -1.494 50.569 52.037 0.042 0.000 0.790 104 A CB -0.362 18.654 19.000 0.027 0.000 1.046 104 A HN 0.128 nan 8.150 nan 0.000 0.496 105 P HA 0.020 nan 4.420 nan 0.000 0.266 105 P C 0.384 177.686 177.300 0.003 0.000 1.186 105 P CA 1.376 64.486 63.100 0.017 0.000 0.767 105 P CB 0.491 32.201 31.700 0.018 0.000 0.820 106 S N 0.521 116.215 115.700 -0.010 0.000 3.858 106 S HA -0.085 4.386 4.470 0.002 0.000 0.356 106 S C -1.904 172.684 174.600 -0.020 0.000 1.013 106 S CA -0.245 57.947 58.200 -0.014 0.000 1.083 106 S CB -1.882 61.316 63.200 -0.004 0.000 0.883 106 S HN 0.318 nan 8.310 nan 0.000 0.475 107 P HA 0.503 nan 4.420 nan 0.000 0.271 107 P C 0.082 177.360 177.300 -0.036 0.000 1.233 107 P CA -0.012 63.059 63.100 -0.048 0.000 0.795 107 P CB 0.376 31.982 31.700 -0.157 0.000 0.936 108 D N -1.389 119.003 120.400 -0.014 0.000 2.643 108 D HA 0.182 4.823 4.640 0.002 0.000 0.283 108 D C 0.699 177.008 176.300 0.015 0.000 1.242 108 D CA -0.706 53.292 54.000 -0.004 0.000 0.863 108 D CB 1.303 42.103 40.800 -0.000 0.000 1.382 108 D HN 0.038 nan 8.370 nan 0.000 0.444 109 R N 0.374 120.884 120.500 0.017 0.000 2.139 109 R HA -0.056 4.285 4.340 0.002 0.000 0.243 109 R C 1.711 178.035 176.300 0.040 0.000 1.145 109 R CA 1.080 57.199 56.100 0.031 0.000 0.976 109 R CB -0.106 30.205 30.300 0.019 0.000 0.866 109 R HN 0.438 nan 8.270 nan 0.000 0.449 110 L N -0.343 120.896 121.223 0.026 0.000 2.209 110 L HA -0.052 4.289 4.340 0.002 0.000 0.207 110 L C 2.392 179.279 176.870 0.029 0.000 1.094 110 L CA 0.722 55.575 54.840 0.021 0.000 0.790 110 L CB -0.324 41.739 42.059 0.007 0.000 0.932 110 L HN 0.230 nan 8.230 nan 0.000 0.447 111 E N 0.268 120.489 120.200 0.035 0.000 2.023 111 E HA -0.243 4.108 4.350 0.002 0.000 0.196 111 E C 2.264 178.934 176.600 0.118 0.000 1.003 111 E CA 1.260 57.691 56.400 0.051 0.000 0.809 111 E CB 0.046 29.781 29.700 0.059 0.000 0.755 111 E HN 0.260 nan 8.360 nan 0.000 0.449 112 L N 0.861 122.180 121.223 0.160 0.000 1.956 112 L HA -0.256 4.085 4.340 0.002 0.000 0.216 112 L C 2.476 179.534 176.870 0.314 0.000 1.073 112 L CA 1.756 56.765 54.840 0.280 0.000 0.762 112 L CB -1.298 40.894 42.059 0.222 0.000 0.889 112 L HN 0.219 nan 8.230 nan 0.000 0.433 113 R N -0.185 120.439 120.500 0.206 0.000 2.127 113 R HA -0.197 4.144 4.340 0.002 0.000 0.238 113 R C 2.057 178.411 176.300 0.089 0.000 1.134 113 R CA 1.105 57.302 56.100 0.162 0.000 0.975 113 R CB -0.491 29.856 30.300 0.079 0.000 0.865 113 R HN 0.391 nan 8.270 nan 0.000 0.447 114 E N 0.051 120.270 120.200 0.033 0.000 2.112 114 E HA -0.032 4.319 4.350 0.002 0.000 0.190 114 E C 1.943 178.473 176.600 -0.117 0.000 0.979 114 E CA 1.301 57.679 56.400 -0.036 0.000 0.814 114 E CB -0.454 29.219 29.700 -0.046 0.000 0.762 114 E HN 0.315 nan 8.360 nan 0.000 0.460 115 G N -0.326 108.365 108.800 -0.181 0.000 2.404 115 G HA2 -0.249 3.712 3.960 0.002 0.000 0.215 115 G HA3 -0.249 3.712 3.960 0.002 0.000 0.215 115 G C 1.309 175.871 174.900 -0.564 0.000 1.174 115 G CA 0.682 45.452 45.100 -0.550 0.000 0.780 115 G HN 0.354 nan 8.290 nan 0.000 0.537 116 W N 0.662 121.859 121.300 -0.171 0.000 2.467 116 W HA 0.078 4.739 4.660 0.001 0.000 0.275 116 W C 2.778 179.154 176.519 -0.238 0.000 1.239 116 W CA 0.580 57.806 57.345 -0.199 0.000 1.266 116 W CB 0.129 29.536 29.460 -0.087 0.000 1.112 116 W HN 0.165 nan 8.180 nan 0.000 0.576 117 R N 1.454 121.974 120.500 0.033 0.000 2.096 117 R HA -0.125 4.216 4.340 0.002 0.000 0.235 117 R C 1.543 177.792 176.300 -0.085 0.000 1.127 117 R CA 1.743 57.826 56.100 -0.030 0.000 0.968 117 R CB -0.485 29.798 30.300 -0.028 0.000 0.861 117 R HN 0.024 nan 8.270 nan 0.000 0.440 118 K N -0.320 119.992 120.400 -0.147 0.000 2.262 118 K HA 0.126 4.447 4.320 0.002 0.000 0.200 118 K C 1.850 178.339 176.600 -0.186 0.000 1.049 118 K CA 0.872 57.057 56.287 -0.170 0.000 0.979 118 K CB 0.136 32.509 32.500 -0.211 0.000 0.773 118 K HN 0.187 nan 8.250 nan 0.000 0.474 119 L N 0.518 121.604 121.223 -0.229 0.000 2.162 119 L HA -0.030 4.311 4.340 0.002 0.000 0.205 119 L C 2.001 178.792 176.870 -0.132 0.000 1.086 119 L CA 0.554 55.277 54.840 -0.196 0.000 0.778 119 L CB -0.202 41.681 42.059 -0.295 0.000 0.928 119 L HN 0.112 nan 8.230 nan 0.000 0.446 120 L N 0.176 121.321 121.223 -0.130 0.000 2.261 120 L HA -0.142 4.198 4.340 0.002 0.000 0.216 120 L C -0.464 176.298 176.870 -0.180 0.000 1.114 120 L CA 0.893 55.608 54.840 -0.209 0.000 0.777 120 L CB -1.270 40.655 42.059 -0.223 0.000 0.910 120 L HN 0.221 nan 8.230 nan 0.000 0.440 121 P HA -0.144 nan 4.420 nan 0.000 0.230 121 P C 1.047 178.292 177.300 -0.091 0.000 1.158 121 P CA 1.083 64.136 63.100 -0.078 0.000 0.769 121 P CB 0.074 31.736 31.700 -0.062 0.000 0.807 122 Q N -1.246 118.482 119.800 -0.119 0.000 2.356 122 Q HA 0.255 4.596 4.340 0.002 0.000 0.205 122 Q C 0.686 176.598 176.000 -0.147 0.000 0.901 122 Q CA -0.317 55.419 55.803 -0.112 0.000 0.938 122 Q CB 0.158 28.835 28.738 -0.101 0.000 1.081 122 Q HN 0.106 nan 8.270 nan 0.000 0.517 123 A N 2.206 124.889 122.820 -0.229 0.000 2.531 123 A HA 0.315 4.635 4.320 0.002 0.000 0.236 123 A C 0.260 177.712 177.584 -0.220 0.000 1.062 123 A CA 0.103 51.948 52.037 -0.320 0.000 0.760 123 A CB -0.206 18.335 19.000 -0.766 0.000 0.995 123 A HN 0.437 nan 8.150 nan 0.000 0.501 124 I N -1.312 119.152 120.570 -0.177 0.000 2.934 124 I HA 0.802 4.973 4.170 0.002 0.000 0.306 124 I C 0.301 176.298 176.117 -0.201 0.000 1.110 124 I CA -1.231 59.994 61.300 -0.125 0.000 1.019 124 I CB 1.933 39.902 38.000 -0.052 0.000 1.227 124 I HN 0.690 nan 8.210 nan 0.000 0.434 125 A N 1.831 124.528 122.820 -0.206 0.000 2.386 125 A HA 0.156 4.477 4.320 0.002 0.000 0.246 125 A C -0.207 177.195 177.584 -0.303 0.000 1.089 125 A CA 0.006 51.842 52.037 -0.334 0.000 0.790 125 A CB 0.088 18.918 19.000 -0.285 0.000 1.042 125 A HN 0.839 nan 8.150 nan 0.000 0.497 126 D N 0.986 121.123 120.400 -0.438 0.000 2.338 126 D HA 0.264 4.905 4.640 0.002 0.000 0.255 126 D C -1.647 174.702 176.300 0.082 0.000 1.237 126 D CA -1.824 52.060 54.000 -0.193 0.000 0.883 126 D CB 0.892 41.611 40.800 -0.135 0.000 1.087 126 D HN 0.070 nan 8.370 nan 0.000 0.485 127 P HA -0.121 nan 4.420 nan 0.000 0.216 127 P C 1.433 178.828 177.300 0.158 0.000 1.153 127 P CA 0.979 64.176 63.100 0.161 0.000 0.858 127 P CB 0.192 32.000 31.700 0.180 0.000 0.789 128 L N -2.169 119.195 121.223 0.234 0.000 2.552 128 L HA 0.019 4.360 4.340 0.002 0.000 0.227 128 L C 1.039 178.055 176.870 0.243 0.000 1.146 128 L CA 0.233 55.210 54.840 0.228 0.000 0.858 128 L CB -0.677 41.554 42.059 0.285 0.000 0.969 128 L HN -0.013 nan 8.230 nan 0.000 0.451 129 N N 0.554 119.393 118.700 0.232 0.000 2.439 129 N HA 0.145 4.885 4.740 0.002 0.000 0.249 129 N C -1.876 173.722 175.510 0.148 0.000 1.003 129 N CA -1.815 51.368 53.050 0.221 0.000 0.942 129 N CB 1.704 40.332 38.487 0.235 0.000 1.115 129 N HN -0.175 nan 8.380 nan 0.000 0.505 130 P HA -0.035 nan 4.420 nan 0.000 0.221 130 P C -0.238 177.135 177.300 0.122 0.000 1.150 130 P CA 1.040 64.214 63.100 0.123 0.000 0.800 130 P CB 0.286 32.058 31.700 0.121 0.000 0.787 131 Q N 0.145 120.035 119.800 0.150 0.000 3.184 131 Q HA 0.240 4.581 4.340 0.002 0.000 0.288 131 Q C -0.352 175.771 176.000 0.205 0.000 1.412 131 Q CA 0.026 55.948 55.803 0.199 0.000 0.991 131 Q CB -0.236 28.635 28.738 0.221 0.000 1.688 131 Q HN 0.113 nan 8.270 nan 0.000 0.554 132 S N 1.029 116.805 115.700 0.127 0.000 2.568 132 S HA 0.764 5.235 4.470 0.002 0.000 0.302 132 S C -0.961 173.711 174.600 0.121 0.000 1.082 132 S CA -0.775 57.388 58.200 -0.063 0.000 1.009 132 S CB 0.994 64.118 63.200 -0.127 0.000 1.069 132 S HN 0.554 nan 8.310 nan 0.000 0.500 133 W N 0.703 121.920 121.300 -0.138 0.000 2.989 133 W HA 0.612 5.273 4.660 0.001 0.000 0.344 133 W C -1.981 174.450 176.519 -0.145 0.000 1.233 133 W CA -1.195 56.047 57.345 -0.172 0.000 1.187 133 W CB 0.281 29.581 29.460 -0.266 0.000 1.443 133 W HN 0.587 nan 8.180 nan 0.000 0.573 134 K N 1.917 122.357 120.400 0.067 0.000 2.264 134 K HA 0.841 5.161 4.320 0.002 0.000 0.277 134 K C -0.170 176.529 176.600 0.164 0.000 1.067 134 K CA -0.374 55.914 56.287 0.002 0.000 0.900 134 K CB 1.317 33.815 32.500 -0.005 0.000 1.124 134 K HN 1.109 nan 8.250 nan 0.000 0.469 135 G N 0.619 109.472 108.800 0.089 0.000 2.489 135 G HA2 0.537 4.498 3.960 0.002 0.000 0.291 135 G HA3 0.537 4.498 3.960 0.002 0.000 0.291 135 G C -0.110 174.746 174.900 -0.075 0.000 1.487 135 G CA -0.151 45.071 45.100 0.204 0.000 0.795 135 G HN 0.932 nan 8.290 nan 0.000 0.513 136 G N -0.734 108.012 108.800 -0.091 0.000 3.299 136 G HA2 -0.071 3.890 3.960 0.002 0.000 0.251 136 G HA3 -0.071 3.890 3.960 0.002 0.000 0.251 136 G C 0.535 175.322 174.900 -0.189 0.000 1.741 136 G CA 0.410 45.405 45.100 -0.176 0.000 1.151 136 G HN 1.674 nan 8.290 nan 0.000 0.561 137 L N 2.858 123.875 121.223 -0.344 0.000 3.064 137 L HA 0.541 4.882 4.340 0.002 0.000 0.233 137 L C 1.408 178.211 176.870 -0.112 0.000 1.333 137 L CA 0.859 55.607 54.840 -0.153 0.000 1.140 137 L CB -0.494 41.577 42.059 0.020 0.000 1.519 137 L HN 2.001 nan 8.230 nan 0.000 0.493 138 G N 1.470 110.187 108.800 -0.139 0.000 2.386 138 G HA2 -0.311 3.650 3.960 0.002 0.000 0.295 138 G HA3 -0.311 3.650 3.960 0.002 0.000 0.295 138 G C -0.252 174.639 174.900 -0.015 0.000 0.979 138 G CA 0.977 46.039 45.100 -0.064 0.000 1.193 138 G HN 0.966 nan 8.290 nan 0.000 0.508 139 H N -2.670 116.361 119.070 -0.065 0.000 3.037 139 H HA 0.798 5.355 4.556 0.001 0.000 0.336 139 H C -0.066 175.172 175.328 -0.150 0.000 1.323 139 H CA -0.433 55.555 56.048 -0.099 0.000 1.159 139 H CB 0.537 30.232 29.762 -0.112 0.000 1.882 139 H HN 0.917 nan 8.280 nan 0.000 0.535 140 A N 0.999 123.822 122.820 0.005 0.000 2.351 140 A HA 0.670 4.991 4.320 0.002 0.000 0.257 140 A C 0.166 177.601 177.584 -0.248 0.000 1.087 140 A CA 0.182 52.103 52.037 -0.194 0.000 0.798 140 A CB 0.098 18.986 19.000 -0.186 0.000 1.033 140 A HN 1.322 nan 8.150 nan 0.000 0.488 141 V N -1.479 118.037 119.914 -0.664 0.000 3.160 141 V HA 0.909 5.029 4.120 0.002 0.000 0.310 141 V C -0.149 175.256 176.094 -1.149 0.000 1.181 141 V CA -0.600 61.225 62.300 -0.791 0.000 1.047 141 V CB 1.525 32.920 31.823 -0.714 0.000 1.068 141 V HN 0.865 nan 8.190 nan 0.000 0.441 142 S N 0.227 115.283 115.700 -1.074 0.000 2.599 142 S HA 0.905 5.376 4.470 0.002 0.000 0.294 142 S C -0.171 174.140 174.600 -0.482 0.000 1.094 142 S CA -0.135 57.538 58.200 -0.879 0.000 0.931 142 S CB 1.726 64.353 63.200 -0.954 0.000 1.093 142 S HN 1.549 nan 8.310 nan 0.000 0.488 143 A N 1.513 124.350 122.820 0.027 0.000 2.290 143 A HA 0.752 5.073 4.320 0.002 0.000 0.310 143 A C -1.094 176.719 177.584 0.381 0.000 1.202 143 A CA -0.369 51.839 52.037 0.285 0.000 0.837 143 A CB 0.217 19.419 19.000 0.336 0.000 1.139 143 A HN 0.580 nan 8.150 nan 0.000 0.509 144 L N 2.103 123.556 121.223 0.383 0.000 2.376 144 L HA 0.551 4.892 4.340 0.002 0.000 0.275 144 L C -0.685 176.233 176.870 0.081 0.000 0.987 144 L CA 0.057 55.085 54.840 0.313 0.000 0.828 144 L CB 1.563 43.937 42.059 0.524 0.000 1.249 144 L HN 0.781 nan 8.230 nan 0.000 0.409 145 E N 5.879 126.020 120.200 -0.098 0.000 2.218 145 E HA 0.434 4.785 4.350 0.002 0.000 0.263 145 E C -0.826 175.540 176.600 -0.389 0.000 0.879 145 E CA -0.819 55.461 56.400 -0.200 0.000 0.762 145 E CB 1.851 31.456 29.700 -0.157 0.000 1.166 145 E HN 0.468 nan 8.360 nan 0.000 0.415 146 M N 2.624 122.007 119.600 -0.361 0.000 2.241 146 M HA 0.172 4.653 4.480 0.002 0.000 0.335 146 M C -1.644 174.382 176.300 -0.456 0.000 1.122 146 M CA -2.284 52.638 55.300 -0.630 0.000 1.164 146 M CB -0.078 32.231 32.600 -0.486 0.000 1.459 146 M HN 0.189 nan 8.290 nan 0.000 0.461 147 P HA -0.143 nan 4.420 nan 0.000 0.218 147 P C 0.450 177.710 177.300 -0.066 0.000 1.146 147 P CA 1.466 64.461 63.100 -0.175 0.000 0.813 147 P CB 0.178 31.845 31.700 -0.055 0.000 0.778 148 Q N -1.420 118.339 119.800 -0.069 0.000 2.198 148 Q HA 0.345 4.686 4.340 0.002 0.000 0.209 148 Q C 0.394 176.380 176.000 -0.023 0.000 0.848 148 Q CA -0.541 55.263 55.803 0.002 0.000 0.974 148 Q CB 0.307 29.087 28.738 0.069 0.000 1.115 148 Q HN 0.104 nan 8.270 nan 0.000 0.494 149 A N 2.502 125.279 122.820 -0.072 0.000 2.555 149 A HA 0.191 4.511 4.320 0.002 0.000 0.233 149 A C -2.084 175.465 177.584 -0.058 0.000 1.060 149 A CA -0.865 51.122 52.037 -0.084 0.000 0.759 149 A CB -0.306 18.609 19.000 -0.142 0.000 0.995 149 A HN 0.035 nan 8.150 nan 0.000 0.506 150 P HA 0.125 nan 4.420 nan 0.000 0.265 150 P C -0.484 176.796 177.300 -0.033 0.000 1.187 150 P CA 0.199 63.276 63.100 -0.038 0.000 0.766 150 P CB 0.218 31.889 31.700 -0.049 0.000 0.820 151 L N 3.120 124.338 121.223 -0.009 0.000 2.453 151 L HA 0.043 4.383 4.340 0.002 0.000 0.272 151 L C 0.976 177.858 176.870 0.020 0.000 1.182 151 L CA 0.456 55.301 54.840 0.009 0.000 0.858 151 L CB -0.126 41.944 42.059 0.018 0.000 1.120 151 L HN 0.311 nan 8.230 nan 0.000 0.474 152 Q N 4.646 124.478 119.800 0.052 0.000 2.394 152 Q HA 0.320 4.661 4.340 0.002 0.000 0.259 152 Q C -2.316 173.791 176.000 0.177 0.000 1.021 152 Q CA -2.125 53.747 55.803 0.115 0.000 0.805 152 Q CB 1.501 30.310 28.738 0.118 0.000 1.226 152 Q HN 0.325 nan 8.270 nan 0.000 0.476 153 P HA -0.125 nan 4.420 nan 0.000 0.261 153 P C 0.887 178.193 177.300 0.009 0.000 1.173 153 P CA 1.302 64.435 63.100 0.055 0.000 0.760 153 P CB 0.621 32.337 31.700 0.027 0.000 0.783 154 G N 2.113 110.886 108.800 -0.044 0.000 2.550 154 G HA2 -0.317 3.644 3.960 0.002 0.000 0.233 154 G HA3 -0.317 3.644 3.960 0.002 0.000 0.233 154 G C 0.982 175.780 174.900 -0.171 0.000 1.170 154 G CA 0.177 45.175 45.100 -0.169 0.000 0.693 154 G HN 0.489 nan 8.290 nan 0.000 0.512 155 W N 2.503 123.777 121.300 -0.043 0.000 2.525 155 W HA 0.249 4.910 4.660 0.002 0.000 0.259 155 W C 2.294 178.793 176.519 -0.034 0.000 1.253 155 W CA 1.322 58.637 57.345 -0.049 0.000 1.262 155 W CB 0.001 29.425 29.460 -0.061 0.000 1.122 155 W HN 0.599 nan 8.180 nan 0.000 0.607 156 D N -2.673 117.822 120.400 0.158 0.000 2.338 156 D HA 0.018 4.659 4.640 0.002 0.000 0.208 156 D C 0.385 176.718 176.300 0.056 0.000 0.997 156 D CA 0.367 54.427 54.000 0.100 0.000 0.880 156 D CB -0.501 40.346 40.800 0.077 0.000 0.980 156 D HN -0.039 nan 8.370 nan 0.000 0.509 157 C N 2.620 121.936 119.300 0.027 0.000 3.188 157 C HA 0.433 4.894 4.460 0.002 0.000 0.230 157 C C -2.568 172.405 174.990 -0.029 0.000 1.239 157 C CA -1.631 57.389 59.018 0.003 0.000 1.494 157 C CB -0.359 27.382 27.740 0.002 0.000 1.798 157 C HN 0.158 nan 8.230 nan 0.000 0.458 158 P HA 0.160 nan 4.420 nan 0.000 0.275 158 P C -1.179 176.089 177.300 -0.053 0.000 1.228 158 P CA 0.320 63.377 63.100 -0.072 0.000 0.786 158 P CB 0.828 32.493 31.700 -0.059 0.000 0.927 159 Q N 1.497 121.259 119.800 -0.063 0.000 2.339 159 Q HA 0.526 4.867 4.340 0.002 0.000 0.268 159 Q C -0.833 175.151 176.000 -0.027 0.000 1.027 159 Q CA -0.836 54.927 55.803 -0.068 0.000 0.759 159 Q CB 1.563 30.216 28.738 -0.142 0.000 1.244 159 Q HN 0.558 nan 8.270 nan 0.000 0.464 160 A N 5.741 128.557 122.820 -0.007 0.000 2.511 160 A HA 0.360 4.681 4.320 0.002 0.000 0.242 160 A C -2.135 175.481 177.584 0.053 0.000 1.069 160 A CA -0.754 51.305 52.037 0.036 0.000 0.763 160 A CB -0.153 18.867 19.000 0.034 0.000 1.001 160 A HN 0.570 nan 8.150 nan 0.000 0.498 161 P HA 0.148 nan 4.420 nan 0.000 0.278 161 P C 0.281 177.641 177.300 0.101 0.000 1.238 161 P CA -0.278 62.917 63.100 0.159 0.000 0.794 161 P CB 1.266 33.158 31.700 0.320 0.000 0.955 162 E N 1.468 121.718 120.200 0.082 0.000 2.107 162 E HA -0.025 4.326 4.350 0.002 0.000 0.191 162 E C 0.153 176.779 176.600 0.044 0.000 0.982 162 E CA 0.719 57.150 56.400 0.052 0.000 0.809 162 E CB 0.160 29.887 29.700 0.045 0.000 0.756 162 E HN 0.313 nan 8.360 nan 0.000 0.459 163 I N 3.417 124.016 120.570 0.050 0.000 2.362 163 I HA 0.294 4.465 4.170 0.002 0.000 0.289 163 I C -2.198 173.958 176.117 0.065 0.000 0.994 163 I CA -2.643 58.673 61.300 0.027 0.000 1.158 163 I CB 0.834 38.827 38.000 -0.012 0.000 1.315 163 I HN -0.009 nan 8.210 nan 0.000 0.451 164 P HA 0.275 nan 4.420 nan 0.000 0.274 164 P C -0.287 177.007 177.300 -0.010 0.000 1.237 164 P CA -0.413 62.668 63.100 -0.033 0.000 0.793 164 P CB 0.911 32.559 31.700 -0.087 0.000 0.977 165 A N 2.087 124.807 122.820 -0.166 0.000 2.475 165 A HA 0.128 4.449 4.320 0.002 0.000 0.239 165 A C 0.380 177.939 177.584 -0.042 0.000 1.087 165 A CA 0.150 52.144 52.037 -0.072 0.000 0.779 165 A CB -0.262 18.285 19.000 -0.755 0.000 1.036 165 A HN 0.576 nan 8.150 nan 0.000 0.506 166 K N 0.442 120.877 120.400 0.058 0.000 2.235 166 K HA 0.301 4.622 4.320 0.002 0.000 0.266 166 K C -0.671 175.944 176.600 0.025 0.000 0.980 166 K CA -0.216 56.092 56.287 0.035 0.000 0.849 166 K CB 0.899 33.417 32.500 0.030 0.000 1.098 166 K HN 0.776 nan 8.250 nan 0.000 0.445 167 E N 6.456 126.618 120.200 -0.064 0.000 2.092 167 E HA 0.208 4.559 4.350 0.002 0.000 0.271 167 E C -0.581 175.887 176.600 -0.221 0.000 0.919 167 E CA -0.621 55.602 56.400 -0.294 0.000 0.760 167 E CB 0.570 30.006 29.700 -0.440 0.000 1.106 167 E HN 0.579 nan 8.360 nan 0.000 0.408 168 I N 0.756 121.209 120.570 -0.194 0.000 2.947 168 I HA 0.505 4.675 4.170 0.002 0.000 0.314 168 I C -0.488 175.563 176.117 -0.111 0.000 1.028 168 I CA -1.202 60.034 61.300 -0.106 0.000 1.077 168 I CB 1.293 39.271 38.000 -0.036 0.000 1.274 168 I HN 0.271 nan 8.210 nan 0.000 0.485 169 I N 2.709 123.255 120.570 -0.039 0.000 2.321 169 I HA 0.165 4.336 4.170 0.002 0.000 0.291 169 I C -1.020 175.167 176.117 0.116 0.000 0.998 169 I CA -0.296 61.003 61.300 -0.002 0.000 1.227 169 I CB 0.939 38.927 38.000 -0.020 0.000 1.368 169 I HN 0.744 nan 8.210 nan 0.000 0.466 170 W N 8.355 129.612 121.300 -0.071 0.000 2.288 170 W HA 0.373 5.034 4.660 0.001 0.000 0.325 170 W C -0.093 176.404 176.519 -0.037 0.000 1.019 170 W CA -1.406 55.912 57.345 -0.045 0.000 1.403 170 W CB 0.532 29.970 29.460 -0.037 0.000 1.226 170 W HN 0.462 nan 8.180 nan 0.000 0.391 171 K N 5.013 125.407 120.400 -0.009 0.000 2.267 171 K HA 0.319 4.640 4.320 0.002 0.000 0.282 171 K C -0.173 176.280 176.600 -0.244 0.000 1.078 171 K CA -0.170 56.008 56.287 -0.182 0.000 0.903 171 K CB 0.764 33.229 32.500 -0.058 0.000 1.111 171 K HN 0.315 nan 8.250 nan 0.000 0.475 172 S N 3.241 118.632 115.700 -0.514 0.000 2.499 172 S HA 0.108 4.579 4.470 0.002 0.000 0.279 172 S C 0.810 175.329 174.600 -0.135 0.000 1.219 172 S CA -0.596 57.384 58.200 -0.366 0.000 1.062 172 S CB 1.153 63.944 63.200 -0.682 0.000 0.978 172 S HN 0.696 nan 8.310 nan 0.000 0.489 173 E N 3.460 123.652 120.200 -0.013 0.000 2.112 173 E HA -0.064 4.287 4.350 0.002 0.000 0.190 173 E C 1.977 178.572 176.600 -0.007 0.000 0.979 173 E CA 0.650 57.048 56.400 -0.002 0.000 0.814 173 E CB -0.073 29.645 29.700 0.030 0.000 0.762 173 E HN 0.715 nan 8.360 nan 0.000 0.460 174 R N 0.501 121.005 120.500 0.007 0.000 2.075 174 R HA 0.005 4.346 4.340 0.002 0.000 0.226 174 R C 2.247 178.539 176.300 -0.013 0.000 1.114 174 R CA 0.700 56.808 56.100 0.013 0.000 0.972 174 R CB -0.033 30.293 30.300 0.043 0.000 0.869 174 R HN 0.101 nan 8.270 nan 0.000 0.437 175 L N 0.722 121.910 121.223 -0.059 0.000 2.558 175 L HA 0.137 4.478 4.340 0.002 0.000 0.225 175 L C 0.277 177.101 176.870 -0.077 0.000 1.128 175 L CA 0.270 55.068 54.840 -0.069 0.000 0.868 175 L CB 0.001 41.991 42.059 -0.114 0.000 1.006 175 L HN 0.090 nan 8.230 nan 0.000 0.454 176 K N 1.526 121.872 120.400 -0.091 0.000 3.077 176 K HA -0.221 4.100 4.320 0.002 0.000 0.264 176 K C -0.547 176.004 176.600 -0.082 0.000 1.008 176 K CA 0.725 56.968 56.287 -0.073 0.000 0.740 176 K CB -1.891 30.587 32.500 -0.037 0.000 1.273 176 K HN 0.704 nan 8.250 nan 0.000 0.477 177 N N -2.201 116.407 118.700 -0.153 0.000 2.732 177 N HA 0.537 5.278 4.740 0.002 0.000 0.259 177 N C -1.268 174.084 175.510 -0.262 0.000 1.402 177 N CA -1.024 51.932 53.050 -0.157 0.000 0.829 177 N CB 1.762 40.185 38.487 -0.106 0.000 1.495 177 N HN -0.071 nan 8.380 nan 0.000 0.511 178 S N -1.017 114.553 115.700 -0.217 0.000 2.532 178 S HA 0.821 5.292 4.470 0.002 0.000 0.301 178 S C -0.851 173.634 174.600 -0.192 0.000 1.083 178 S CA -0.945 57.124 58.200 -0.219 0.000 1.025 178 S CB 1.033 64.156 63.200 -0.128 0.000 1.056 178 S HN 0.786 nan 8.310 nan 0.000 0.494 179 R N 1.081 121.495 120.500 -0.144 0.000 2.739 179 R HA 0.543 4.884 4.340 0.002 0.000 0.271 179 R C -1.401 174.897 176.300 -0.003 0.000 1.010 179 R CA -1.084 54.981 56.100 -0.058 0.000 0.897 179 R CB 1.147 31.439 30.300 -0.014 0.000 1.236 179 R HN 0.460 nan 8.270 nan 0.000 0.466 180 R N 0.763 121.228 120.500 -0.058 0.000 2.594 180 R HA 0.395 4.736 4.340 0.002 0.000 0.272 180 R C -0.592 175.599 176.300 -0.181 0.000 1.074 180 R CA -0.296 55.645 56.100 -0.266 0.000 1.105 180 R CB 1.206 31.152 30.300 -0.591 0.000 1.008 180 R HN 0.340 nan 8.270 nan 0.000 0.472 181 V N 2.819 122.576 119.914 -0.262 0.000 2.638 181 V HA 0.344 4.465 4.120 0.002 0.000 0.306 181 V C -0.655 175.363 176.094 -0.126 0.000 1.052 181 V CA -0.959 61.331 62.300 -0.016 0.000 0.885 181 V CB 1.835 33.715 31.823 0.094 0.000 0.999 181 V HN 0.676 nan 8.190 nan 0.000 0.424 182 W N 4.820 126.254 121.300 0.224 0.000 2.469 182 W HA 0.711 5.372 4.660 0.002 0.000 0.320 182 W C -0.745 175.931 176.519 0.263 0.000 1.086 182 W CA -0.579 56.917 57.345 0.252 0.000 1.211 182 W CB 1.900 31.620 29.460 0.434 0.000 1.298 182 W HN 0.409 nan 8.180 nan 0.000 0.525 183 I N 3.450 124.253 120.570 0.387 0.000 2.436 183 I HA 0.418 4.588 4.170 0.002 0.000 0.289 183 I C -0.979 175.365 176.117 0.378 0.000 1.010 183 I CA -0.733 60.765 61.300 0.330 0.000 1.098 183 I CB 1.668 39.777 38.000 0.181 0.000 1.266 183 I HN 0.176 nan 8.210 nan 0.000 0.434 184 F N 5.152 125.260 119.950 0.263 0.000 2.573 184 F HA 0.559 5.087 4.527 0.002 0.000 0.316 184 F C -0.521 175.464 175.800 0.308 0.000 1.148 184 F CA -0.264 57.880 58.000 0.240 0.000 0.940 184 F CB 1.810 41.028 39.000 0.364 0.000 1.214 184 F HN 0.467 nan 8.300 nan 0.000 0.448 185 T N 1.572 115.893 114.554 -0.388 0.000 2.807 185 T HA 0.651 5.002 4.350 0.002 0.000 0.279 185 T C -0.110 174.305 174.700 -0.475 0.000 0.993 185 T CA -0.545 61.396 62.100 -0.266 0.000 0.970 185 T CB 1.517 70.299 68.868 -0.144 0.000 0.950 185 T HN 0.681 nan 8.240 nan 0.000 0.441 186 T N 0.046 114.477 114.554 -0.206 0.000 2.936 186 T HA 0.754 5.105 4.350 0.002 0.000 0.282 186 T C 1.006 175.645 174.700 -0.102 0.000 1.003 186 T CA -0.123 61.901 62.100 -0.127 0.000 1.005 186 T CB 0.762 69.693 68.868 0.106 0.000 1.097 186 T HN 1.608 nan 8.240 nan 0.000 0.532 194 R N 3.387 123.820 120.500 -0.111 0.000 2.490 194 R HA 0.339 4.680 4.340 0.002 0.000 0.280 194 R C -2.038 174.179 176.300 -0.139 0.000 1.077 194 R CA -1.701 54.297 56.100 -0.169 0.000 1.065 194 R CB 0.313 30.520 30.300 -0.156 0.000 1.003 194 R HN 0.397 nan 8.270 nan 0.000 0.470 195 P HA -0.014 nan 4.420 nan 0.000 0.271 195 P C -0.782 176.454 177.300 -0.106 0.000 1.218 195 P CA -0.301 62.690 63.100 -0.182 0.000 0.780 195 P CB 0.697 32.109 31.700 -0.479 0.000 0.901 196 L N 2.568 123.788 121.223 -0.005 0.000 2.307 196 L HA 0.662 5.003 4.340 0.002 0.000 0.282 196 L C -0.677 176.202 176.870 0.015 0.000 1.051 196 L CA -0.480 54.257 54.840 -0.172 0.000 0.804 196 L CB 0.871 42.569 42.059 -0.602 0.000 1.197 196 L HN 0.457 nan 8.230 nan 0.000 0.431 197 A N 5.203 128.008 122.820 -0.025 0.000 2.319 197 A HA 0.705 5.026 4.320 0.002 0.000 0.310 197 A C -1.176 176.459 177.584 0.084 0.000 1.152 197 A CA -0.580 51.497 52.037 0.067 0.000 0.783 197 A CB 1.247 20.320 19.000 0.122 0.000 1.184 197 A HN 0.535 nan 8.150 nan 0.000 0.474 198 V N 3.619 123.584 119.914 0.084 0.000 2.383 198 V HA 0.365 4.486 4.120 0.002 0.000 0.275 198 V C -0.586 175.587 176.094 0.131 0.000 1.036 198 V CA -0.266 62.107 62.300 0.122 0.000 0.889 198 V CB 0.854 32.763 31.823 0.144 0.000 0.985 198 V HN 0.709 nan 8.190 nan 0.000 0.459 199 L N 6.175 127.501 121.223 0.171 0.000 2.305 199 L HA 0.474 4.815 4.340 0.002 0.000 0.284 199 L C -0.107 176.894 176.870 0.219 0.000 1.013 199 L CA -0.111 54.816 54.840 0.145 0.000 0.819 199 L CB 1.425 43.548 42.059 0.106 0.000 1.227 199 L HN 0.352 nan 8.230 nan 0.000 0.417 200 L N 2.623 123.966 121.223 0.200 0.000 2.475 200 L HA 0.223 4.564 4.340 0.002 0.000 0.253 200 L C 0.637 177.658 176.870 0.252 0.000 1.198 200 L CA 0.091 55.054 54.840 0.205 0.000 0.814 200 L CB 0.089 42.231 42.059 0.140 0.000 1.134 200 L HN 0.673 nan 8.230 nan 0.000 0.478 201 D N 1.351 121.863 120.400 0.187 0.000 2.686 201 D HA -0.173 4.468 4.640 0.002 0.000 0.235 201 D C 1.305 177.751 176.300 0.244 0.000 1.160 201 D CA 0.953 55.051 54.000 0.163 0.000 0.645 201 D CB -0.731 40.113 40.800 0.073 0.000 1.039 201 D HN 0.935 nan 8.370 nan 0.000 0.423 202 G N 1.041 110.017 108.800 0.294 0.000 2.443 202 G HA2 -0.268 3.693 3.960 0.002 0.000 0.219 202 G HA3 -0.268 3.693 3.960 0.002 0.000 0.219 202 G C 1.454 176.373 174.900 0.031 0.000 1.131 202 G CA 0.931 46.212 45.100 0.301 0.000 0.775 202 G HN 0.524 nan 8.290 nan 0.000 0.547 203 E N 0.098 120.356 120.200 0.098 0.000 2.204 203 E HA -0.137 4.213 4.350 0.002 0.000 0.194 203 E C 2.043 178.496 176.600 -0.245 0.000 0.989 203 E CA 0.482 56.819 56.400 -0.105 0.000 0.824 203 E CB -0.560 29.261 29.700 0.202 0.000 0.756 203 E HN 0.426 nan 8.360 nan 0.000 0.477 204 F N 0.399 120.144 119.950 -0.343 0.000 2.128 204 F HA -0.037 4.491 4.527 0.002 0.000 0.295 204 F C 1.675 177.040 175.800 -0.726 0.000 1.100 204 F CA 1.463 59.121 58.000 -0.569 0.000 1.260 204 F CB -0.219 38.333 39.000 -0.747 0.000 1.009 204 F HN -0.054 nan 8.300 nan 0.000 0.476 205 W N -0.502 120.731 121.300 -0.111 0.000 2.678 205 W HA 0.144 4.805 4.660 0.001 0.000 0.256 205 W C 2.213 178.293 176.519 -0.732 0.000 1.280 205 W CA 0.700 57.862 57.345 -0.304 0.000 1.345 205 W CB -0.408 28.935 29.460 -0.196 0.000 1.118 205 W HN 0.035 nan 8.180 nan 0.000 0.629 206 A N -0.485 121.929 122.820 -0.676 0.000 2.044 206 A HA 0.005 4.326 4.320 0.002 0.000 0.213 206 A C 1.800 179.030 177.584 -0.591 0.000 1.169 206 A CA 0.896 52.363 52.037 -0.949 0.000 0.724 206 A CB 0.044 18.145 19.000 -1.500 0.000 0.840 206 A HN 0.339 nan 8.150 nan 0.000 0.463 207 Q N -1.822 117.659 119.800 -0.531 0.000 2.384 207 Q HA 0.134 4.475 4.340 0.002 0.000 0.264 207 Q C 1.884 177.661 176.000 -0.371 0.000 0.825 207 Q CA 0.730 56.340 55.803 -0.321 0.000 0.984 207 Q CB 0.617 29.237 28.738 -0.197 0.000 1.183 207 Q HN 0.499 nan 8.270 nan 0.000 0.537 208 S N 0.705 116.025 115.700 -0.632 0.000 2.356 208 S HA 0.177 4.648 4.470 0.002 0.000 0.219 208 S C 0.980 175.091 174.600 -0.815 0.000 1.036 208 S CA 0.730 58.458 58.200 -0.787 0.000 0.965 208 S CB 0.272 62.670 63.200 -1.336 0.000 0.864 208 S HN 0.213 nan 8.310 nan 0.000 0.471 209 M N 2.142 121.159 119.600 -0.971 0.000 2.236 209 M HA 0.336 4.817 4.480 0.002 0.000 0.228 209 M C -3.012 173.179 176.300 -0.182 0.000 0.906 209 M CA -1.968 53.029 55.300 -0.506 0.000 0.761 209 M CB 1.464 33.734 32.600 -0.549 0.000 1.439 209 M HN -0.140 nan 8.290 nan 0.000 0.394 210 P HA -0.061 nan 4.420 nan 0.000 0.261 210 P C 0.985 177.910 177.300 -0.625 0.000 1.183 210 P CA 0.108 62.830 63.100 -0.631 0.000 0.761 210 P CB 0.515 31.924 31.700 -0.485 0.000 0.785 211 V N 0.244 119.606 119.914 -0.920 0.000 3.541 211 V HA -0.036 4.085 4.120 0.002 0.000 0.267 211 V C 1.298 176.952 176.094 -0.734 0.000 1.213 211 V CA 0.252 62.096 62.300 -0.760 0.000 1.149 211 V CB -1.577 29.884 31.823 -0.603 0.000 0.822 211 V HN 0.468 nan 8.190 nan 0.000 0.462 212 W N 1.821 122.793 121.300 -0.548 0.000 2.332 212 W HA -0.025 4.636 4.660 0.002 0.000 0.321 212 W C 0.218 176.541 176.519 -0.326 0.000 1.219 212 W CA 1.534 58.443 57.345 -0.727 0.000 1.277 212 W CB -2.286 26.745 29.460 -0.715 0.000 1.161 212 W HN 0.294 nan 8.180 nan 0.000 0.476 213 P HA -0.083 nan 4.420 nan 0.000 0.223 213 P C 1.494 178.697 177.300 -0.161 0.000 1.151 213 P CA 1.365 64.437 63.100 -0.046 0.000 0.787 213 P CB -0.136 31.537 31.700 -0.045 0.000 0.788 214 V N 0.250 119.940 119.914 -0.372 0.000 2.346 214 V HA -0.164 3.957 4.120 0.002 0.000 0.244 214 V C 2.770 178.663 176.094 -0.336 0.000 1.037 214 V CA 1.312 63.287 62.300 -0.542 0.000 1.029 214 V CB -1.153 29.952 31.823 -1.197 0.000 0.663 214 V HN -0.009 nan 8.190 nan 0.000 0.454 215 L N -0.155 120.901 121.223 -0.279 0.000 2.012 215 L HA -0.197 4.144 4.340 0.002 0.000 0.210 215 L C 2.676 179.609 176.870 0.105 0.000 1.073 215 L CA 2.074 56.861 54.840 -0.088 0.000 0.748 215 L CB -1.218 40.760 42.059 -0.134 0.000 0.891 215 L HN 0.364 nan 8.230 nan 0.000 0.431 216 T N -0.841 113.822 114.554 0.181 0.000 2.580 216 T HA -0.295 4.056 4.350 0.002 0.000 0.265 216 T C 2.108 176.932 174.700 0.206 0.000 1.063 216 T CA 2.001 64.250 62.100 0.248 0.000 1.170 216 T CB -0.442 68.557 68.868 0.217 0.000 0.863 216 T HN 0.398 nan 8.240 nan 0.000 0.418 217 S N 1.075 116.809 115.700 0.057 0.000 2.369 217 S HA -0.150 4.321 4.470 0.002 0.000 0.225 217 S C 2.078 176.721 174.600 0.071 0.000 1.043 217 S CA 1.587 59.799 58.200 0.019 0.000 1.074 217 S CB -0.728 62.441 63.200 -0.050 0.000 0.962 217 S HN 0.472 nan 8.310 nan 0.000 0.433 218 L N 0.574 121.820 121.223 0.039 0.000 2.191 218 L HA -0.081 4.260 4.340 0.002 0.000 0.212 218 L C 2.753 179.690 176.870 0.112 0.000 1.103 218 L CA 1.520 56.392 54.840 0.054 0.000 0.769 218 L CB -0.910 41.166 42.059 0.029 0.000 0.908 218 L HN 0.423 nan 8.230 nan 0.000 0.438 219 T N -2.442 112.204 114.554 0.155 0.000 2.770 219 T HA -0.156 4.195 4.350 0.002 0.000 0.258 219 T C 1.751 176.516 174.700 0.107 0.000 1.039 219 T CA 1.070 63.261 62.100 0.151 0.000 1.143 219 T CB -0.278 68.679 68.868 0.148 0.000 0.866 219 T HN 0.318 nan 8.240 nan 0.000 0.428 220 H N 1.065 120.166 119.070 0.051 0.000 2.426 220 H HA 0.042 4.599 4.556 0.001 0.000 0.298 220 H C 2.128 177.471 175.328 0.023 0.000 1.107 220 H CA 1.194 57.262 56.048 0.034 0.000 1.298 220 H CB 0.007 29.785 29.762 0.026 0.000 1.377 220 H HN 0.158 nan 8.280 nan 0.000 0.519 221 R N 0.131 120.709 120.500 0.131 0.000 2.310 221 R HA 0.020 4.361 4.340 0.002 0.000 0.202 221 R C 0.132 176.431 176.300 -0.001 0.000 0.933 221 R CA 0.145 56.278 56.100 0.054 0.000 1.054 221 R CB 0.447 30.768 30.300 0.035 0.000 0.985 221 R HN 0.211 nan 8.270 nan 0.000 0.489 222 Q N -0.424 119.388 119.800 0.019 0.000 2.489 222 Q HA -0.236 4.105 4.340 0.002 0.000 0.259 222 Q C 0.684 176.540 176.000 -0.240 0.000 0.934 222 Q CA 0.791 56.573 55.803 -0.036 0.000 1.131 222 Q CB -1.125 27.555 28.738 -0.096 0.000 1.472 222 Q HN 0.291 nan 8.270 nan 0.000 0.560 223 Q N -0.725 119.035 119.800 -0.065 0.000 2.212 223 Q HA 0.147 4.488 4.340 0.002 0.000 0.199 223 Q C 0.334 176.434 176.000 0.166 0.000 0.950 223 Q CA 0.892 56.661 55.803 -0.057 0.000 0.863 223 Q CB 0.550 29.293 28.738 0.008 0.000 0.944 223 Q HN 0.479 nan 8.270 nan 0.000 0.465 224 L N 2.226 123.630 121.223 0.302 0.000 2.365 224 L HA 0.406 4.747 4.340 0.002 0.000 0.273 224 L C -2.321 174.775 176.870 0.376 0.000 1.000 224 L CA -2.218 52.891 54.840 0.448 0.000 0.819 224 L CB 2.133 44.442 42.059 0.417 0.000 1.284 224 L HN -0.103 nan 8.230 nan 0.000 0.418 225 P HA 0.157 nan 4.420 nan 0.000 0.269 225 P C -2.653 174.508 177.300 -0.231 0.000 1.215 225 P CA -1.389 61.554 63.100 -0.261 0.000 0.780 225 P CB -0.280 31.000 31.700 -0.701 0.000 0.898 226 P HA 0.196 nan 4.420 nan 0.000 0.265 226 P C -0.575 176.553 177.300 -0.287 0.000 1.193 226 P CA 0.815 63.813 63.100 -0.169 0.000 0.765 226 P CB 0.117 31.727 31.700 -0.151 0.000 0.823 227 A N 2.447 125.121 122.820 -0.243 0.000 2.599 227 A HA 0.619 4.940 4.320 0.002 0.000 0.290 227 A C -1.372 176.037 177.584 -0.291 0.000 1.101 227 A CA -0.542 51.256 52.037 -0.398 0.000 0.674 227 A CB 1.025 19.571 19.000 -0.758 0.000 1.277 227 A HN 0.243 nan 8.150 nan 0.000 0.419 228 V N 0.889 120.622 119.914 -0.301 0.000 2.398 228 V HA 0.468 4.589 4.120 0.002 0.000 0.286 228 V C -1.323 174.628 176.094 -0.239 0.000 1.026 228 V CA -0.190 62.020 62.300 -0.149 0.000 0.868 228 V CB 0.659 32.464 31.823 -0.030 0.000 0.982 228 V HN 0.675 nan 8.190 nan 0.000 0.443 229 Y N 2.979 123.397 120.300 0.197 0.000 2.335 229 Y HA 0.609 5.160 4.550 0.001 0.000 0.338 229 Y C 0.003 176.052 175.900 0.249 0.000 0.977 229 Y CA -0.874 57.380 58.100 0.256 0.000 1.114 229 Y CB 2.054 40.748 38.460 0.391 0.000 1.182 229 Y HN 0.351 nan 8.280 nan 0.000 0.463 230 V N 5.828 125.920 119.914 0.296 0.000 2.326 230 V HA 0.285 4.406 4.120 0.002 0.000 0.281 230 V C -0.773 175.502 176.094 0.301 0.000 1.015 230 V CA -0.672 61.776 62.300 0.247 0.000 0.823 230 V CB 0.857 32.727 31.823 0.078 0.000 1.009 230 V HN 0.473 nan 8.190 nan 0.000 0.436 231 L N 6.459 127.934 121.223 0.421 0.000 2.255 231 L HA 0.517 4.858 4.340 0.002 0.000 0.289 231 L C -0.074 177.106 176.870 0.517 0.000 1.046 231 L CA 0.217 55.327 54.840 0.450 0.000 0.816 231 L CB 1.097 43.441 42.059 0.474 0.000 1.197 231 L HN 0.458 nan 8.230 nan 0.000 0.427 232 I N 2.591 123.404 120.570 0.404 0.000 2.304 232 I HA 0.161 4.332 4.170 0.002 0.000 0.291 232 I C 0.181 176.544 176.117 0.410 0.000 1.018 232 I CA -0.791 60.748 61.300 0.398 0.000 1.260 232 I CB 1.221 39.432 38.000 0.351 0.000 1.390 232 I HN 0.510 nan 8.210 nan 0.000 0.475 233 D N 5.275 125.943 120.400 0.447 0.000 2.493 233 D HA 0.062 4.703 4.640 0.002 0.000 0.240 233 D C 0.816 177.253 176.300 0.228 0.000 1.142 233 D CA 0.236 54.462 54.000 0.376 0.000 0.872 233 D CB 1.424 42.417 40.800 0.322 0.000 1.173 233 D HN 0.649 nan 8.370 nan 0.000 0.467 234 A N 3.835 126.752 122.820 0.161 0.000 2.275 234 A HA 0.215 4.536 4.320 0.002 0.000 0.212 234 A C 1.811 179.420 177.584 0.041 0.000 1.201 234 A CA 0.515 52.596 52.037 0.074 0.000 0.843 234 A CB -0.597 18.431 19.000 0.046 0.000 0.873 234 A HN 0.818 nan 8.150 nan 0.000 0.492 235 I N -1.622 118.969 120.570 0.036 0.000 4.713 235 I HA -0.415 3.756 4.170 0.002 0.000 0.044 235 I C 0.260 176.383 176.117 0.011 0.000 0.627 235 I CA 2.070 63.344 61.300 -0.043 0.000 0.714 235 I CB -1.221 36.608 38.000 -0.284 0.000 0.668 235 I HN 0.650 nan 8.210 nan 0.000 0.156 236 D N -1.655 118.782 120.400 0.062 0.000 2.725 236 D HA 0.276 4.917 4.640 0.002 0.000 0.292 236 D C 0.233 176.595 176.300 0.103 0.000 1.288 236 D CA 0.121 54.177 54.000 0.094 0.000 0.784 236 D CB 0.554 41.425 40.800 0.118 0.000 1.308 236 D HN 0.049 nan 8.370 nan 0.000 0.429 237 T N -0.272 114.322 114.554 0.067 0.000 2.665 237 T HA -0.136 4.215 4.350 0.002 0.000 0.268 237 T C 1.632 176.347 174.700 0.026 0.000 1.035 237 T CA 2.615 64.736 62.100 0.034 0.000 1.151 237 T CB -0.584 68.291 68.868 0.012 0.000 0.862 237 T HN 0.600 nan 8.240 nan 0.000 0.438 238 T N 0.862 115.430 114.554 0.025 0.000 2.674 238 T HA -0.108 4.243 4.350 0.002 0.000 0.265 238 T C 1.790 176.447 174.700 -0.071 0.000 1.039 238 T CA 1.552 63.609 62.100 -0.071 0.000 1.150 238 T CB -0.503 68.337 68.868 -0.047 0.000 0.864 238 T HN 0.527 nan 8.240 nan 0.000 0.427 239 H N 0.554 119.646 119.070 0.036 0.000 2.352 239 H HA 0.025 4.581 4.556 0.001 0.000 0.299 239 H C 2.516 177.836 175.328 -0.014 0.000 1.097 239 H CA 1.668 57.747 56.048 0.051 0.000 1.311 239 H CB -0.070 29.704 29.762 0.020 0.000 1.377 239 H HN 0.157 nan 8.280 nan 0.000 0.504 240 R N 0.481 121.041 120.500 0.100 0.000 2.081 240 R HA -0.086 4.255 4.340 0.002 0.000 0.235 240 R C 2.179 178.515 176.300 0.059 0.000 1.131 240 R CA 1.198 57.316 56.100 0.030 0.000 0.960 240 R CB -0.225 30.107 30.300 0.054 0.000 0.856 240 R HN 0.350 nan 8.270 nan 0.000 0.436 241 A N -0.777 122.092 122.820 0.082 0.000 2.168 241 A HA -0.094 4.227 4.320 0.002 0.000 0.215 241 A C 1.348 178.875 177.584 -0.095 0.000 1.152 241 A CA 1.103 53.234 52.037 0.156 0.000 0.716 241 A CB -0.411 18.667 19.000 0.130 0.000 0.794 241 A HN 0.539 nan 8.150 nan 0.000 0.465 242 H N -1.562 117.482 119.070 -0.044 0.000 2.476 242 H HA 0.132 4.689 4.556 0.002 0.000 0.292 242 H C 1.768 176.978 175.328 -0.198 0.000 1.019 242 H CA 0.945 56.933 56.048 -0.099 0.000 1.330 242 H CB 0.389 30.099 29.762 -0.086 0.000 1.451 242 H HN 0.545 nan 8.280 nan 0.000 0.535 243 E N 0.225 120.343 120.200 -0.136 0.000 2.307 243 E HA 0.043 4.394 4.350 0.002 0.000 0.195 243 E C 1.581 177.797 176.600 -0.640 0.000 0.975 243 E CA 0.155 56.347 56.400 -0.346 0.000 0.878 243 E CB 0.597 30.065 29.700 -0.386 0.000 0.845 243 E HN 0.364 nan 8.360 nan 0.000 0.488 244 L N 0.967 121.850 121.223 -0.568 0.000 2.168 244 L HA 0.076 4.417 4.340 0.002 0.000 0.203 244 L C -1.461 175.022 176.870 -0.645 0.000 1.078 244 L CA 0.089 54.594 54.840 -0.557 0.000 0.780 244 L CB -0.940 40.918 42.059 -0.334 0.000 0.939 244 L HN -0.083 nan 8.230 nan 0.000 0.451 245 P HA 0.116 nan 4.420 nan 0.000 0.271 245 P C -0.205 176.271 177.300 -1.374 0.000 1.380 245 P CA -0.185 61.977 63.100 -1.564 0.000 0.992 245 P CB -0.047 30.163 31.700 -2.482 0.000 1.230 246 C N 1.708 120.322 119.300 -1.145 0.000 3.899 246 C HA -0.162 4.299 4.460 0.002 0.000 0.297 246 C C 0.779 175.180 174.990 -0.982 0.000 1.371 246 C CA 0.029 58.152 59.018 -1.492 0.000 2.088 246 C CB -2.809 24.305 27.740 -1.043 0.000 1.346 246 C HN 0.621 nan 8.230 nan 0.000 0.658 247 N N 0.199 118.574 118.700 -0.541 0.000 2.501 247 N HA 0.532 5.273 4.740 0.002 0.000 0.245 247 N C 0.724 176.412 175.510 0.295 0.000 0.974 247 N CA 0.433 53.419 53.050 -0.106 0.000 0.941 247 N CB 1.460 39.884 38.487 -0.106 0.000 1.122 247 N HN 0.497 nan 8.380 nan 0.000 0.507 248 A N 3.570 126.632 122.820 0.403 0.000 1.933 248 A HA -0.148 4.173 4.320 0.002 0.000 0.218 248 A C 1.588 179.441 177.584 0.450 0.000 1.175 248 A CA 1.322 53.751 52.037 0.654 0.000 0.628 248 A CB -0.184 19.137 19.000 0.534 0.000 0.814 248 A HN 0.657 nan 8.150 nan 0.000 0.444 249 D N -0.996 119.571 120.400 0.278 0.000 2.104 249 D HA -0.170 4.471 4.640 0.002 0.000 0.194 249 D C 1.606 177.999 176.300 0.155 0.000 0.994 249 D CA 1.392 55.503 54.000 0.184 0.000 0.830 249 D CB -0.460 40.416 40.800 0.126 0.000 0.959 249 D HN 0.506 nan 8.370 nan 0.000 0.452 250 F N -0.319 119.628 119.950 -0.005 0.000 2.065 250 F HA -0.228 4.300 4.527 0.002 0.000 0.298 250 F C 2.093 177.797 175.800 -0.161 0.000 1.112 250 F CA 1.685 59.599 58.000 -0.143 0.000 1.212 250 F CB -0.434 38.365 39.000 -0.336 0.000 0.975 250 F HN 0.008 nan 8.300 nan 0.000 0.476 251 W N 0.386 121.688 121.300 0.003 0.000 2.467 251 W HA -0.044 4.617 4.660 0.002 0.000 0.275 251 W C 2.141 178.384 176.519 -0.461 0.000 1.239 251 W CA 0.506 57.683 57.345 -0.280 0.000 1.266 251 W CB -0.259 29.074 29.460 -0.212 0.000 1.112 251 W HN 0.051 nan 8.180 nan 0.000 0.576 252 L N -0.408 120.752 121.223 -0.106 0.000 2.109 252 L HA -0.106 4.235 4.340 0.002 0.000 0.207 252 L C 2.654 179.493 176.870 -0.052 0.000 1.086 252 L CA 1.097 55.869 54.840 -0.113 0.000 0.760 252 L CB -1.154 40.932 42.059 0.045 0.000 0.910 252 L HN -0.036 nan 8.230 nan 0.000 0.437 253 A N -0.117 122.695 122.820 -0.014 0.000 1.877 253 A HA -0.145 4.176 4.320 0.002 0.000 0.216 253 A C 2.344 179.958 177.584 0.050 0.000 1.186 253 A CA 1.646 53.737 52.037 0.090 0.000 0.620 253 A CB -0.831 18.269 19.000 0.167 0.000 0.822 253 A HN 0.160 nan 8.150 nan 0.000 0.443 254 V N 0.168 119.983 119.914 -0.165 0.000 2.287 254 V HA -0.360 3.761 4.120 0.002 0.000 0.248 254 V C 2.702 178.699 176.094 -0.161 0.000 1.053 254 V CA 2.436 64.532 62.300 -0.339 0.000 1.027 254 V CB -0.939 30.642 31.823 -0.404 0.000 0.646 254 V HN 0.659 nan 8.190 nan 0.000 0.447 255 Q N -0.754 119.012 119.800 -0.056 0.000 2.079 255 Q HA -0.224 4.117 4.340 0.002 0.000 0.200 255 Q C 2.293 178.252 176.000 -0.067 0.000 0.974 255 Q CA 1.611 57.381 55.803 -0.056 0.000 0.840 255 Q CB -0.140 28.511 28.738 -0.147 0.000 0.898 255 Q HN 0.694 nan 8.270 nan 0.000 0.430 256 Q N -0.414 119.354 119.800 -0.054 0.000 2.302 256 Q HA -0.078 4.263 4.340 0.002 0.000 0.202 256 Q C 1.520 177.516 176.000 -0.007 0.000 0.936 256 Q CA 0.877 56.667 55.803 -0.022 0.000 0.886 256 Q CB 0.399 29.139 28.738 0.002 0.000 0.986 256 Q HN 0.336 nan 8.270 nan 0.000 0.487 257 E N 0.027 120.223 120.200 -0.006 0.000 2.280 257 E HA -0.061 4.290 4.350 0.002 0.000 0.197 257 E C 1.733 178.225 176.600 -0.181 0.000 0.913 257 E CA -0.052 56.357 56.400 0.014 0.000 0.995 257 E CB -0.059 29.788 29.700 0.245 0.000 0.991 257 E HN 0.114 nan 8.360 nan 0.000 0.484 258 L N 1.503 122.420 121.223 -0.510 0.000 2.017 258 L HA -0.063 4.278 4.340 0.002 0.000 0.208 258 L C 2.120 178.779 176.870 -0.353 0.000 1.073 258 L CA 1.688 56.035 54.840 -0.822 0.000 0.745 258 L CB -0.549 40.626 42.059 -1.473 0.000 0.894 258 L HN 0.330 nan 8.230 nan 0.000 0.432 259 L N -0.510 120.596 121.223 -0.194 0.000 2.046 259 L HA -0.131 4.210 4.340 0.002 0.000 0.208 259 L C -0.076 176.858 176.870 0.107 0.000 1.077 259 L CA 1.231 56.091 54.840 0.034 0.000 0.747 259 L CB -2.016 40.106 42.059 0.105 0.000 0.896 259 L HN 0.259 nan 8.230 nan 0.000 0.432 260 P HA -0.170 nan 4.420 nan 0.000 0.220 260 P C 1.676 178.962 177.300 -0.024 0.000 1.148 260 P CA 1.053 64.141 63.100 -0.020 0.000 0.803 260 P CB 0.096 31.776 31.700 -0.033 0.000 0.782 261 L N -1.333 119.866 121.223 -0.039 0.000 2.209 261 L HA -0.023 4.318 4.340 0.002 0.000 0.207 261 L C 1.960 178.827 176.870 -0.005 0.000 1.094 261 L CA 1.531 56.349 54.840 -0.036 0.000 0.790 261 L CB -0.880 41.135 42.059 -0.073 0.000 0.932 261 L HN -0.222 nan 8.230 nan 0.000 0.447 262 V N -0.099 119.834 119.914 0.032 0.000 2.379 262 V HA -0.230 3.891 4.120 0.002 0.000 0.245 262 V C 2.598 178.803 176.094 0.185 0.000 1.044 262 V CA 1.874 64.246 62.300 0.119 0.000 1.036 262 V CB -0.663 31.252 31.823 0.154 0.000 0.664 262 V HN 0.464 nan 8.190 nan 0.000 0.453 263 K N -0.181 120.324 120.400 0.174 0.000 2.211 263 K HA -0.153 4.168 4.320 0.002 0.000 0.204 263 K C 1.974 178.517 176.600 -0.095 0.000 1.047 263 K CA 1.157 57.373 56.287 -0.118 0.000 0.935 263 K CB -0.138 32.088 32.500 -0.457 0.000 0.728 263 K HN 0.323 nan 8.250 nan 0.000 0.452 264 V N 0.853 120.739 119.914 -0.046 0.000 2.809 264 V HA -0.163 3.958 4.120 0.002 0.000 0.256 264 V C 1.791 177.872 176.094 -0.021 0.000 1.080 264 V CA 1.324 63.598 62.300 -0.042 0.000 1.102 264 V CB -0.132 31.672 31.823 -0.032 0.000 0.705 264 V HN 0.295 nan 8.190 nan 0.000 0.475 265 I N -0.732 119.841 120.570 0.005 0.000 3.039 265 I HA 0.267 4.438 4.170 0.002 0.000 0.270 265 I C 0.998 177.129 176.117 0.023 0.000 1.150 265 I CA 0.804 62.112 61.300 0.015 0.000 1.448 265 I CB 0.202 38.219 38.000 0.029 0.000 1.197 265 I HN 0.203 nan 8.210 nan 0.000 0.450 266 A N 1.707 124.563 122.820 0.059 0.000 2.745 266 A HA 0.549 4.870 4.320 0.002 0.000 0.301 266 A C -2.633 175.022 177.584 0.119 0.000 1.188 266 A CA -1.245 50.839 52.037 0.078 0.000 0.746 266 A CB -0.092 18.970 19.000 0.104 0.000 1.207 266 A HN -0.140 nan 8.150 nan 0.000 0.432 267 P HA 0.251 nan 4.420 nan 0.000 0.260 267 P C -0.687 176.608 177.300 -0.008 0.000 1.172 267 P CA 0.869 63.906 63.100 -0.105 0.000 0.760 267 P CB -0.161 31.479 31.700 -0.100 0.000 0.773 268 F N -0.267 119.642 119.950 -0.068 0.000 2.613 268 F HA 0.634 5.162 4.527 0.002 0.000 0.314 268 F C 0.154 175.909 175.800 -0.075 0.000 1.075 268 F CA -1.595 56.358 58.000 -0.078 0.000 0.945 268 F CB 0.789 39.750 39.000 -0.065 0.000 1.310 268 F HN 0.097 nan 8.300 nan 0.000 0.467 269 S N 0.325 116.100 115.700 0.126 0.000 2.563 269 S HA 0.052 4.523 4.470 0.002 0.000 0.284 269 S C 0.377 175.037 174.600 0.099 0.000 1.331 269 S CA -0.088 58.138 58.200 0.042 0.000 1.047 269 S CB 0.211 63.420 63.200 0.015 0.000 0.859 269 S HN 0.724 nan 8.310 nan 0.000 0.514 270 D N 2.176 122.580 120.400 0.006 0.000 2.349 270 D HA 0.131 4.772 4.640 0.002 0.000 0.214 270 D C 0.088 176.391 176.300 0.005 0.000 1.063 270 D CA 0.155 54.159 54.000 0.006 0.000 0.847 270 D CB 0.161 40.930 40.800 -0.052 0.000 0.933 270 D HN 0.488 nan 8.370 nan 0.000 0.513 271 R N 0.590 121.099 120.500 0.014 0.000 2.370 271 R HA 0.333 4.674 4.340 0.002 0.000 0.309 271 R C 1.144 177.460 176.300 0.027 0.000 1.059 271 R CA -0.130 55.977 56.100 0.012 0.000 0.981 271 R CB 0.933 31.239 30.300 0.010 0.000 0.972 271 R HN -0.105 nan 8.270 nan 0.000 0.437 272 A N 3.676 126.502 122.820 0.009 0.000 2.015 272 A HA -0.173 4.147 4.320 0.002 0.000 0.219 272 A C 1.563 179.179 177.584 0.054 0.000 1.163 272 A CA 1.439 53.483 52.037 0.012 0.000 0.646 272 A CB -0.238 18.754 19.000 -0.013 0.000 0.806 272 A HN 0.911 nan 8.150 nan 0.000 0.448 273 D N 0.194 120.627 120.400 0.054 0.000 2.309 273 D HA -0.212 4.429 4.640 0.002 0.000 0.212 273 D C 1.480 177.851 176.300 0.118 0.000 0.968 273 D CA 1.324 55.368 54.000 0.074 0.000 0.882 273 D CB -0.300 40.535 40.800 0.058 0.000 0.918 273 D HN 0.710 nan 8.370 nan 0.000 0.503 274 R N 0.061 120.645 120.500 0.140 0.000 2.572 274 R HA 0.167 4.508 4.340 0.002 0.000 0.370 274 R C -0.536 175.961 176.300 0.329 0.000 1.005 274 R CA -0.406 55.847 56.100 0.254 0.000 1.146 274 R CB 0.090 30.484 30.300 0.156 0.000 1.390 274 R HN -0.191 nan 8.270 nan 0.000 0.553 275 T N 1.641 116.317 114.554 0.204 0.000 2.767 275 T HA 0.393 4.744 4.350 0.002 0.000 0.284 275 T C -0.425 174.378 174.700 0.172 0.000 0.973 275 T CA -0.310 61.907 62.100 0.196 0.000 0.996 275 T CB 2.115 71.060 68.868 0.129 0.000 0.927 275 T HN -0.050 nan 8.240 nan 0.000 0.456 276 V N 4.147 124.135 119.914 0.124 0.000 2.547 276 V HA 0.592 4.713 4.120 0.002 0.000 0.299 276 V C -0.017 176.081 176.094 0.007 0.000 1.040 276 V CA -0.869 61.419 62.300 -0.020 0.000 0.913 276 V CB 1.815 33.477 31.823 -0.267 0.000 0.992 276 V HN 0.782 nan 8.190 nan 0.000 0.449 277 V N 1.481 121.354 119.914 -0.068 0.000 2.378 277 V HA 0.964 5.085 4.120 0.002 0.000 0.288 277 V C -0.028 176.006 176.094 -0.100 0.000 1.016 277 V CA -0.752 61.470 62.300 -0.129 0.000 0.840 277 V CB 1.103 32.695 31.823 -0.386 0.000 0.994 277 V HN 1.013 nan 8.190 nan 0.000 0.431 278 A N 3.454 126.236 122.820 -0.063 0.000 2.343 278 A HA 1.049 5.370 4.320 0.002 0.000 0.316 278 A C 0.167 177.710 177.584 -0.068 0.000 1.104 278 A CA 0.014 51.988 52.037 -0.106 0.000 0.768 278 A CB 1.521 20.419 19.000 -0.171 0.000 1.213 278 A HN 1.817 nan 8.150 nan 0.000 0.456 279 G N 0.588 109.324 108.800 -0.106 0.000 2.677 279 G HA2 0.579 4.540 3.960 0.002 0.000 0.291 279 G HA3 0.579 4.540 3.960 0.002 0.000 0.291 279 G C -1.750 173.001 174.900 -0.248 0.000 1.435 279 G CA -0.571 44.466 45.100 -0.105 0.000 0.826 279 G HN 0.697 nan 8.290 nan 0.000 0.491 280 Q N 0.138 119.729 119.800 -0.349 0.000 2.394 280 Q HA 0.757 5.098 4.340 0.002 0.000 0.273 280 Q C 0.642 176.330 176.000 -0.520 0.000 1.089 280 Q CA 0.079 55.448 55.803 -0.723 0.000 0.812 280 Q CB 2.114 30.019 28.738 -1.387 0.000 1.353 280 Q HN 0.832 nan 8.270 nan 0.000 0.438 281 S N 0.168 115.601 115.700 -0.445 0.000 4.138 281 S HA -0.292 4.179 4.470 0.002 0.000 0.574 281 S C 0.980 175.574 174.600 -0.010 0.000 1.895 281 S CA 1.593 59.739 58.200 -0.091 0.000 4.239 281 S CB -1.217 62.002 63.200 0.032 0.000 0.264 281 S HN 0.638 nan 8.310 nan 0.000 0.489 282 F N 2.815 122.663 119.950 -0.169 0.000 2.161 282 F HA -0.001 4.527 4.527 0.001 0.000 0.300 282 F C 2.677 178.325 175.800 -0.254 0.000 1.089 282 F CA 1.368 59.214 58.000 -0.257 0.000 1.282 282 F CB -1.618 37.254 39.000 -0.212 0.000 1.010 282 F HN 0.582 nan 8.300 nan 0.000 0.485 283 G N -0.741 108.056 108.800 -0.005 0.000 2.408 283 G HA2 -0.131 3.830 3.960 0.002 0.000 0.217 283 G HA3 -0.131 3.830 3.960 0.002 0.000 0.217 283 G C 2.043 176.909 174.900 -0.058 0.000 1.150 283 G CA 0.797 45.877 45.100 -0.033 0.000 0.776 283 G HN 0.517 nan 8.290 nan 0.000 0.542 284 G N 0.917 109.628 108.800 -0.149 0.000 2.402 284 G HA2 -0.091 3.870 3.960 0.002 0.000 0.216 284 G HA3 -0.091 3.870 3.960 0.002 0.000 0.216 284 G C 1.746 176.577 174.900 -0.116 0.000 1.162 284 G CA 0.981 45.993 45.100 -0.147 0.000 0.777 284 G HN 0.442 nan 8.290 nan 0.000 0.539 285 L N 0.945 121.985 121.223 -0.306 0.000 2.046 285 L HA 0.021 4.362 4.340 0.002 0.000 0.208 285 L C 2.738 179.584 176.870 -0.041 0.000 1.077 285 L CA 2.621 57.269 54.840 -0.319 0.000 0.747 285 L CB -0.699 41.038 42.059 -0.537 0.000 0.896 285 L HN 0.200 nan 8.230 nan 0.000 0.432 286 S N -0.918 114.755 115.700 -0.044 0.000 2.402 286 S HA -0.077 4.394 4.470 0.002 0.000 0.229 286 S C 2.100 176.875 174.600 0.292 0.000 1.021 286 S CA 0.995 59.301 58.200 0.177 0.000 0.974 286 S CB -0.410 62.900 63.200 0.184 0.000 0.800 286 S HN 0.693 nan 8.310 nan 0.000 0.484 287 A N 1.366 124.270 122.820 0.141 0.000 1.873 287 A HA 0.039 4.359 4.320 0.002 0.000 0.215 287 A C 2.099 179.648 177.584 -0.058 0.000 1.186 287 A CA 1.539 53.567 52.037 -0.015 0.000 0.616 287 A CB -0.871 18.121 19.000 -0.014 0.000 0.823 287 A HN 0.554 nan 8.150 nan 0.000 0.442 288 L N -1.513 119.759 121.223 0.081 0.000 2.093 288 L HA -0.114 4.227 4.340 0.002 0.000 0.208 288 L C 2.229 179.165 176.870 0.111 0.000 1.085 288 L CA 2.212 57.120 54.840 0.113 0.000 0.755 288 L CB -1.107 41.089 42.059 0.229 0.000 0.904 288 L HN 0.523 nan 8.230 nan 0.000 0.435 289 Y N 0.491 120.806 120.300 0.026 0.000 2.128 289 Y HA -0.263 4.288 4.550 0.001 0.000 0.284 289 Y C 2.415 178.293 175.900 -0.037 0.000 1.154 289 Y CA 2.081 60.196 58.100 0.025 0.000 1.149 289 Y CB -0.627 37.843 38.460 0.017 0.000 0.976 289 Y HN 0.248 nan 8.280 nan 0.000 0.505 290 A N -0.080 122.578 122.820 -0.270 0.000 1.978 290 A HA -0.110 4.211 4.320 0.002 0.000 0.220 290 A C 2.433 179.992 177.584 -0.041 0.000 1.170 290 A CA 1.789 53.496 52.037 -0.549 0.000 0.636 290 A CB -1.610 16.318 19.000 -1.788 0.000 0.810 290 A HN 0.616 nan 8.150 nan 0.000 0.448 291 G N -0.414 108.345 108.800 -0.068 0.000 2.395 291 G HA2 -0.042 3.919 3.960 0.002 0.000 0.214 291 G HA3 -0.042 3.919 3.960 0.002 0.000 0.214 291 G C 1.522 176.422 174.900 -0.001 0.000 1.177 291 G CA 0.734 45.861 45.100 0.045 0.000 0.794 291 G HN 0.398 nan 8.290 nan 0.000 0.532 292 L N -0.264 120.926 121.223 -0.055 0.000 2.043 292 L HA -0.173 4.168 4.340 0.002 0.000 0.212 292 L C 2.685 179.372 176.870 -0.305 0.000 1.075 292 L CA 1.364 56.124 54.840 -0.133 0.000 0.752 292 L CB -0.451 41.561 42.059 -0.078 0.000 0.891 292 L HN 0.318 nan 8.230 nan 0.000 0.432 293 H N -2.560 116.202 119.070 -0.514 0.000 2.486 293 H HA 0.007 4.564 4.556 0.001 0.000 0.287 293 H C 0.308 175.100 175.328 -0.893 0.000 1.010 293 H CA 0.616 56.104 56.048 -0.934 0.000 1.324 293 H CB 0.605 29.312 29.762 -1.759 0.000 1.446 293 H HN 0.346 nan 8.280 nan 0.000 0.537 294 W N 2.201 123.503 121.300 0.003 0.000 1.683 294 W HA 0.220 4.881 4.660 0.001 0.000 0.295 294 W C -2.279 174.226 176.519 -0.023 0.000 0.865 294 W CA -1.656 55.689 57.345 0.001 0.000 2.079 294 W CB 0.490 29.976 29.460 0.044 0.000 2.263 294 W HN 0.072 nan 8.180 nan 0.000 0.427 295 P HA -0.197 nan 4.420 nan 0.000 0.231 295 P C 1.294 178.612 177.300 0.031 0.000 1.158 295 P CA 1.572 64.703 63.100 0.052 0.000 0.763 295 P CB 0.123 31.821 31.700 -0.002 0.000 0.805 296 E N 0.281 120.500 120.200 0.032 0.000 2.435 296 E HA -0.112 4.239 4.350 0.002 0.000 0.195 296 E C 1.798 178.352 176.600 -0.076 0.000 1.029 296 E CA 0.533 56.929 56.400 -0.007 0.000 0.865 296 E CB -0.134 29.573 29.700 0.012 0.000 0.833 296 E HN 0.183 nan 8.360 nan 0.000 0.510 297 R N -0.109 120.288 120.500 -0.172 0.000 2.383 297 R HA 0.230 4.571 4.340 0.002 0.000 0.205 297 R C -0.324 175.633 176.300 -0.570 0.000 0.875 297 R CA 0.294 56.120 56.100 -0.457 0.000 1.039 297 R CB 0.371 30.216 30.300 -0.758 0.000 1.267 297 R HN 0.020 nan 8.270 nan 0.000 0.635 298 F N 0.039 119.999 119.950 0.017 0.000 2.434 298 F HA 0.466 4.994 4.527 0.002 0.000 0.367 298 F C 1.045 176.838 175.800 -0.012 0.000 1.093 298 F CA -0.762 57.224 58.000 -0.023 0.000 1.085 298 F CB 2.194 41.134 39.000 -0.100 0.000 1.322 298 F HN 0.136 nan 8.300 nan 0.000 0.452 299 G N 0.711 109.590 108.800 0.132 0.000 2.887 299 G HA2 0.096 4.057 3.960 0.002 0.000 0.211 299 G HA3 0.096 4.057 3.960 0.002 0.000 0.211 299 G C -0.208 174.740 174.900 0.080 0.000 1.152 299 G CA 0.199 45.352 45.100 0.088 0.000 0.769 299 G HN 0.558 nan 8.290 nan 0.000 0.541 300 C N 0.762 120.106 119.300 0.074 0.000 2.345 300 C HA 0.713 5.174 4.460 0.002 0.000 0.323 300 C C -0.195 174.785 174.990 -0.017 0.000 1.276 300 C CA -0.929 58.100 59.018 0.018 0.000 1.543 300 C CB 1.035 28.749 27.740 -0.044 0.000 2.211 300 C HN 0.038 nan 8.230 nan 0.000 0.493 301 V N 4.589 124.491 119.914 -0.019 0.000 2.487 301 V HA 0.518 4.639 4.120 0.002 0.000 0.298 301 V C -0.628 175.430 176.094 -0.060 0.000 1.028 301 V CA -0.395 61.885 62.300 -0.034 0.000 0.860 301 V CB 1.639 33.468 31.823 0.011 0.000 0.991 301 V HN 0.657 nan 8.190 nan 0.000 0.427 302 L N 5.172 126.334 121.223 -0.102 0.000 2.318 302 L HA 0.686 5.027 4.340 0.002 0.000 0.277 302 L C -0.151 176.658 176.870 -0.102 0.000 1.008 302 L CA 0.152 54.913 54.840 -0.131 0.000 0.846 302 L CB 1.373 43.307 42.059 -0.209 0.000 1.220 302 L HN 0.630 nan 8.230 nan 0.000 0.423 303 S N 5.022 120.690 115.700 -0.053 0.000 2.530 303 S HA 0.646 5.117 4.470 0.002 0.000 0.322 303 S C -0.806 173.740 174.600 -0.091 0.000 1.085 303 S CA -0.513 57.667 58.200 -0.032 0.000 1.096 303 S CB 0.639 63.923 63.200 0.139 0.000 0.988 303 S HN 0.726 nan 8.310 nan 0.000 0.466 304 Q N 2.901 122.567 119.800 -0.224 0.000 2.331 304 Q HA 0.470 4.811 4.340 0.002 0.000 0.267 304 Q C 0.031 175.815 176.000 -0.360 0.000 1.006 304 Q CA -0.877 54.742 55.803 -0.306 0.000 0.818 304 Q CB 1.688 30.145 28.738 -0.468 0.000 1.276 304 Q HN 0.789 nan 8.270 nan 0.000 0.450 305 S N 0.779 116.404 115.700 -0.125 0.000 3.521 305 S HA -0.188 4.283 4.470 0.002 0.000 0.362 305 S C 0.572 175.185 174.600 0.022 0.000 1.044 305 S CA 0.385 58.612 58.200 0.045 0.000 1.091 305 S CB -1.375 61.925 63.200 0.168 0.000 0.908 305 S HN 0.947 nan 8.310 nan 0.000 0.473 306 G N 0.912 109.682 108.800 -0.051 0.000 2.414 306 G HA2 0.321 4.282 3.960 0.002 0.000 0.236 306 G HA3 0.321 4.282 3.960 0.002 0.000 0.236 306 G C 0.177 174.854 174.900 -0.373 0.000 1.293 306 G CA -0.267 44.618 45.100 -0.359 0.000 0.869 306 G HN 0.510 nan 8.290 nan 0.000 0.556 307 S N 1.922 117.394 115.700 -0.380 0.000 4.183 307 S HA 0.116 4.587 4.470 0.002 0.000 0.195 307 S C 0.189 174.464 174.600 -0.542 0.000 1.421 307 S CA -0.329 57.742 58.200 -0.214 0.000 0.920 307 S CB -0.243 62.971 63.200 0.024 0.000 1.525 307 S HN 0.567 nan 8.310 nan 0.000 0.447 308 Y N 0.598 120.916 120.300 0.031 0.000 2.529 308 Y HA 0.030 4.581 4.550 0.001 0.000 0.290 308 Y C 1.803 177.780 175.900 0.128 0.000 1.177 308 Y CA -0.779 57.356 58.100 0.058 0.000 1.305 308 Y CB -0.440 38.107 38.460 0.145 0.000 1.047 308 Y HN 0.774 nan 8.280 nan 0.000 0.522 309 W N -1.948 119.537 121.300 0.307 0.000 2.584 309 W HA -0.076 4.585 4.660 0.002 0.000 0.264 309 W C 0.333 176.983 176.519 0.219 0.000 1.264 309 W CA -0.952 56.544 57.345 0.252 0.000 1.306 309 W CB -1.186 28.396 29.460 0.202 0.000 1.110 309 W HN 0.164 nan 8.180 nan 0.000 0.606 310 W N 6.554 127.442 121.300 -0.686 0.000 2.343 310 W HA -0.000 4.660 4.660 0.001 0.000 0.337 310 W C -1.466 174.809 176.519 -0.407 0.000 1.320 310 W CA -0.978 55.889 57.345 -0.797 0.000 1.290 310 W CB 0.716 29.584 29.460 -0.985 0.000 1.206 310 W HN -0.255 nan 8.180 nan 0.000 0.565 311 P HA -0.004 nan 4.420 nan 0.000 0.268 311 P C -0.564 176.520 177.300 -0.360 0.000 1.329 311 P CA 0.426 62.656 63.100 -1.450 0.000 0.899 311 P CB 0.221 30.883 31.700 -1.730 0.000 1.378 312 H N 1.468 120.628 119.070 0.150 0.000 3.008 312 H HA 0.161 4.718 4.556 0.002 0.000 0.268 312 H C 1.641 177.140 175.328 0.285 0.000 1.323 312 H CA 0.045 56.205 56.048 0.187 0.000 1.401 312 H CB 0.522 30.356 29.762 0.120 0.000 1.556 312 H HN 0.237 nan 8.280 nan 0.000 0.502 313 R N 1.709 122.337 120.500 0.214 0.000 2.105 313 R HA -0.111 4.230 4.340 0.002 0.000 0.239 313 R C 2.019 178.247 176.300 -0.120 0.000 1.135 313 R CA 1.363 57.384 56.100 -0.132 0.000 0.967 313 R CB -0.696 29.516 30.300 -0.145 0.000 0.861 313 R HN 0.455 nan 8.270 nan 0.000 0.442 314 G N -0.091 108.709 108.800 -0.001 0.000 2.628 314 G HA2 -0.042 3.919 3.960 0.002 0.000 0.217 314 G HA3 -0.042 3.919 3.960 0.002 0.000 0.217 314 G C 1.246 176.146 174.900 0.001 0.000 1.240 314 G CA 1.527 46.621 45.100 -0.009 0.000 0.792 314 G HN 0.806 nan 8.290 nan 0.000 0.593 315 G N -1.798 107.044 108.800 0.069 0.000 2.198 315 G HA2 -0.171 3.790 3.960 0.002 0.000 0.156 315 G HA3 -0.171 3.790 3.960 0.002 0.000 0.156 315 G C 0.918 175.869 174.900 0.085 0.000 1.012 315 G CA 0.715 45.875 45.100 0.100 0.000 0.692 315 G HN 0.513 nan 8.290 nan 0.000 0.492 316 Q N -0.226 119.603 119.800 0.049 0.000 2.408 316 Q HA 0.118 4.459 4.340 0.002 0.000 0.205 316 Q C 1.180 177.184 176.000 0.005 0.000 0.919 316 Q CA 0.807 56.625 55.803 0.024 0.000 0.932 316 Q CB 0.276 29.016 28.738 0.003 0.000 1.058 316 Q HN 0.846 nan 8.270 nan 0.000 0.517 317 Q N -0.075 119.717 119.800 -0.014 0.000 2.348 317 Q HA 0.493 4.834 4.340 0.002 0.000 0.271 317 Q C -1.043 175.007 176.000 0.082 0.000 1.067 317 Q CA -0.795 54.973 55.803 -0.058 0.000 0.839 317 Q CB 1.418 29.977 28.738 -0.298 0.000 1.354 317 Q HN -0.217 nan 8.270 nan 0.000 0.447 318 E N 0.880 121.142 120.200 0.103 0.000 2.384 318 E HA 0.231 4.582 4.350 0.002 0.000 0.266 318 E C -0.029 176.760 176.600 0.315 0.000 1.012 318 E CA 0.589 57.100 56.400 0.186 0.000 0.901 318 E CB 0.701 30.479 29.700 0.130 0.000 0.967 318 E HN 0.718 nan 8.360 nan 0.000 0.435 319 G N 1.863 110.857 108.800 0.322 0.000 2.484 319 G HA2 0.034 3.995 3.960 0.002 0.000 0.235 319 G HA3 0.034 3.995 3.960 0.002 0.000 0.235 319 G C 1.196 176.237 174.900 0.235 0.000 1.282 319 G CA 0.005 45.279 45.100 0.290 0.000 0.857 319 G HN 0.580 nan 8.290 nan 0.000 0.571 320 V N 1.833 121.857 119.914 0.182 0.000 2.469 320 V HA -0.200 3.921 4.120 0.002 0.000 0.251 320 V C 2.496 178.708 176.094 0.197 0.000 1.064 320 V CA 1.987 64.398 62.300 0.185 0.000 1.066 320 V CB -1.001 30.923 31.823 0.169 0.000 0.667 320 V HN 0.607 nan 8.190 nan 0.000 0.461 321 L N -0.784 120.576 121.223 0.227 0.000 1.989 321 L HA -0.129 4.212 4.340 0.002 0.000 0.211 321 L C 2.507 179.466 176.870 0.148 0.000 1.071 321 L CA 2.258 57.227 54.840 0.214 0.000 0.749 321 L CB -0.430 41.786 42.059 0.263 0.000 0.890 321 L HN 0.401 nan 8.230 nan 0.000 0.431 322 L N 0.200 121.506 121.223 0.139 0.000 1.990 322 L HA -0.290 4.051 4.340 0.002 0.000 0.213 322 L C 2.534 179.456 176.870 0.086 0.000 1.072 322 L CA 2.153 57.047 54.840 0.091 0.000 0.755 322 L CB -1.091 41.033 42.059 0.108 0.000 0.889 322 L HN 0.468 nan 8.230 nan 0.000 0.432 323 E N -0.533 119.733 120.200 0.111 0.000 2.118 323 E HA -0.270 4.081 4.350 0.002 0.000 0.195 323 E C 2.031 178.677 176.600 0.078 0.000 0.992 323 E CA 1.460 57.916 56.400 0.095 0.000 0.804 323 E CB 0.043 29.813 29.700 0.118 0.000 0.741 323 E HN 0.551 nan 8.360 nan 0.000 0.458 324 K N -0.121 120.334 120.400 0.091 0.000 2.228 324 K HA 0.002 4.323 4.320 0.002 0.000 0.202 324 K C 2.261 178.885 176.600 0.040 0.000 1.051 324 K CA 0.299 56.631 56.287 0.075 0.000 0.960 324 K CB 0.118 32.684 32.500 0.110 0.000 0.743 324 K HN 0.164 nan 8.250 nan 0.000 0.458 325 L N 0.869 122.114 121.223 0.037 0.000 2.056 325 L HA -0.167 4.174 4.340 0.002 0.000 0.207 325 L C 2.429 179.300 176.870 0.003 0.000 1.078 325 L CA 1.059 55.903 54.840 0.007 0.000 0.749 325 L CB -0.265 41.795 42.059 0.001 0.000 0.901 325 L HN 0.023 nan 8.230 nan 0.000 0.433 326 K N 0.645 121.055 120.400 0.017 0.000 2.103 326 K HA -0.147 4.174 4.320 0.002 0.000 0.207 326 K C 1.864 178.470 176.600 0.010 0.000 1.048 326 K CA 1.606 57.901 56.287 0.014 0.000 0.930 326 K CB -0.201 32.314 32.500 0.026 0.000 0.716 326 K HN 0.256 nan 8.250 nan 0.000 0.444 327 A N -0.902 121.928 122.820 0.016 0.000 2.169 327 A HA 0.266 4.587 4.320 0.002 0.000 0.212 327 A C 1.477 179.061 177.584 -0.001 0.000 1.153 327 A CA 0.826 52.870 52.037 0.012 0.000 0.756 327 A CB -0.465 18.549 19.000 0.023 0.000 0.813 327 A HN 0.529 nan 8.150 nan 0.000 0.471 328 G N -0.471 108.324 108.800 -0.009 0.000 2.148 328 G HA2 -0.296 3.665 3.960 0.002 0.000 0.254 328 G HA3 -0.296 3.665 3.960 0.002 0.000 0.254 328 G C 0.509 175.386 174.900 -0.037 0.000 0.981 328 G CA 0.699 45.783 45.100 -0.026 0.000 0.670 328 G HN 0.597 nan 8.290 nan 0.000 0.528 329 E N -1.167 119.016 120.200 -0.028 0.000 2.150 329 E HA 0.206 4.557 4.350 0.002 0.000 0.193 329 E C 0.923 177.462 176.600 -0.101 0.000 0.985 329 E CA 1.150 57.525 56.400 -0.041 0.000 0.814 329 E CB 0.363 30.060 29.700 -0.004 0.000 0.752 329 E HN 0.392 nan 8.360 nan 0.000 0.466 330 V N 0.190 120.042 119.914 -0.104 0.000 3.007 330 V HA 0.295 4.416 4.120 0.002 0.000 0.311 330 V C -0.805 175.213 176.094 -0.127 0.000 1.120 330 V CA -0.610 61.582 62.300 -0.180 0.000 0.980 330 V CB 2.323 34.004 31.823 -0.236 0.000 1.033 330 V HN 0.189 nan 8.190 nan 0.000 0.429 331 S N 2.456 118.067 115.700 -0.148 0.000 2.632 331 S HA 0.851 5.322 4.470 0.002 0.000 0.289 331 S C -0.142 174.397 174.600 -0.102 0.000 1.115 331 S CA -0.083 58.053 58.200 -0.105 0.000 0.889 331 S CB 2.163 65.305 63.200 -0.096 0.000 1.116 331 S HN 1.391 nan 8.310 nan 0.000 0.486 332 A N 0.650 123.425 122.820 -0.075 0.000 2.713 332 A HA 0.377 4.698 4.320 0.002 0.000 0.296 332 A C 0.527 178.082 177.584 -0.048 0.000 1.255 332 A CA -0.586 51.418 52.037 -0.056 0.000 0.955 332 A CB -0.799 18.177 19.000 -0.039 0.000 1.149 332 A HN 0.835 nan 8.150 nan 0.000 0.538 333 E N -0.344 119.820 120.200 -0.059 0.000 2.392 333 E HA 0.377 4.728 4.350 0.002 0.000 0.264 333 E C 0.755 177.335 176.600 -0.033 0.000 1.024 333 E CA 0.119 56.490 56.400 -0.049 0.000 0.903 333 E CB 0.379 30.046 29.700 -0.056 0.000 0.963 333 E HN 0.903 nan 8.360 nan 0.000 0.432 334 G N 3.002 111.791 108.800 -0.019 0.000 2.160 334 G HA2 -0.240 3.721 3.960 0.002 0.000 0.244 334 G HA3 -0.240 3.721 3.960 0.002 0.000 0.244 334 G C -0.176 174.733 174.900 0.015 0.000 1.022 334 G CA 0.310 45.408 45.100 -0.003 0.000 0.741 334 G HN 0.439 nan 8.290 nan 0.000 0.508 335 L N -0.439 120.796 121.223 0.019 0.000 2.381 335 L HA 0.587 4.928 4.340 0.002 0.000 0.274 335 L C 0.563 177.472 176.870 0.065 0.000 0.988 335 L CA -0.971 53.893 54.840 0.041 0.000 0.824 335 L CB 1.907 43.985 42.059 0.033 0.000 1.263 335 L HN 0.067 nan 8.230 nan 0.000 0.410 336 R N 3.559 124.118 120.500 0.099 0.000 2.312 336 R HA 0.717 5.058 4.340 0.002 0.000 0.311 336 R C -0.921 175.488 176.300 0.183 0.000 1.004 336 R CA -0.361 55.842 56.100 0.172 0.000 0.902 336 R CB 1.530 31.973 30.300 0.238 0.000 1.073 336 R HN 0.502 nan 8.270 nan 0.000 0.457 337 I N 2.394 123.114 120.570 0.250 0.000 2.608 337 I HA 0.309 4.480 4.170 0.002 0.000 0.295 337 I C -0.579 175.720 176.117 0.304 0.000 1.049 337 I CA -1.211 60.211 61.300 0.203 0.000 1.063 337 I CB 2.398 40.494 38.000 0.161 0.000 1.248 337 I HN 0.201 nan 8.210 nan 0.000 0.424 338 V N 6.665 126.652 119.914 0.122 0.000 2.333 338 V HA 0.335 4.456 4.120 0.002 0.000 0.274 338 V C -0.060 176.073 176.094 0.066 0.000 1.028 338 V CA -0.385 61.959 62.300 0.072 0.000 0.851 338 V CB 1.521 33.255 31.823 -0.149 0.000 1.000 338 V HN 0.476 nan 8.190 nan 0.000 0.456 339 L N 5.450 126.744 121.223 0.119 0.000 2.283 339 L HA 0.537 4.878 4.340 0.002 0.000 0.281 339 L C 0.126 176.854 176.870 -0.236 0.000 1.033 339 L CA -0.056 54.837 54.840 0.089 0.000 0.848 339 L CB 1.233 43.516 42.059 0.374 0.000 1.226 339 L HN 0.710 nan 8.230 nan 0.000 0.429 340 E N 3.724 123.780 120.200 -0.239 0.000 2.195 340 E HA 0.805 5.156 4.350 0.002 0.000 0.271 340 E C -1.439 174.986 176.600 -0.290 0.000 0.923 340 E CA -0.575 55.600 56.400 -0.375 0.000 0.790 340 E CB 2.258 31.820 29.700 -0.229 0.000 1.155 340 E HN 0.610 nan 8.360 nan 0.000 0.402 341 A N 2.440 125.054 122.820 -0.344 0.000 2.594 341 A HA 0.689 5.010 4.320 0.002 0.000 0.295 341 A C -0.547 177.011 177.584 -0.043 0.000 1.071 341 A CA -0.281 51.700 52.037 -0.093 0.000 0.685 341 A CB 1.598 20.604 19.000 0.009 0.000 1.285 341 A HN 0.635 nan 8.150 nan 0.000 0.405 342 G N -0.118 108.725 108.800 0.072 0.000 2.400 342 G HA2 0.503 4.464 3.960 0.002 0.000 0.301 342 G HA3 0.503 4.464 3.960 0.002 0.000 0.301 342 G C 0.866 175.816 174.900 0.083 0.000 1.154 342 G CA -0.082 45.056 45.100 0.064 0.000 0.852 342 G HN 1.359 nan 8.290 nan 0.000 0.511 343 I N -0.708 119.900 120.570 0.064 0.000 2.546 343 I HA 0.084 4.254 4.170 0.002 0.000 0.255 343 I C 1.765 177.929 176.117 0.078 0.000 1.163 343 I CA 0.575 61.923 61.300 0.080 0.000 1.457 343 I CB 0.048 38.089 38.000 0.069 0.000 1.092 343 I HN 0.300 nan 8.210 nan 0.000 0.434 344 R N 2.139 122.680 120.500 0.069 0.000 2.391 344 R HA 0.145 4.486 4.340 0.002 0.000 0.249 344 R C -0.431 175.913 176.300 0.072 0.000 0.957 344 R CA 0.104 56.244 56.100 0.066 0.000 1.093 344 R CB -0.031 30.307 30.300 0.063 0.000 1.156 344 R HN 0.645 nan 8.270 nan 0.000 0.526 345 E N -1.096 119.163 120.200 0.100 0.000 2.914 345 E HA 0.211 4.562 4.350 0.002 0.000 0.246 345 E C -2.589 174.082 176.600 0.120 0.000 1.146 345 E CA -1.984 54.486 56.400 0.117 0.000 0.803 345 E CB 1.471 31.293 29.700 0.202 0.000 1.409 345 E HN -0.154 nan 8.360 nan 0.000 0.392 346 P HA -0.223 nan 4.420 nan 0.000 0.214 346 P C 1.558 178.923 177.300 0.108 0.000 1.163 346 P CA 1.026 64.180 63.100 0.090 0.000 0.883 346 P CB 0.087 31.823 31.700 0.059 0.000 0.788 347 M N -1.064 118.586 119.600 0.083 0.000 2.080 347 M HA -0.144 4.337 4.480 0.002 0.000 0.260 347 M C 1.766 178.171 176.300 0.176 0.000 1.068 347 M CA 1.943 57.298 55.300 0.092 0.000 1.109 347 M CB -0.872 31.734 32.600 0.010 0.000 1.342 347 M HN -0.143 nan 8.290 nan 0.000 0.405 348 I N -0.175 120.514 120.570 0.198 0.000 2.252 348 I HA -0.296 3.875 4.170 0.002 0.000 0.245 348 I C 2.527 178.822 176.117 0.297 0.000 1.102 348 I CA 1.256 62.732 61.300 0.293 0.000 1.385 348 I CB -1.203 36.988 38.000 0.318 0.000 1.064 348 I HN 0.424 nan 8.210 nan 0.000 0.414 349 M N 0.076 119.824 119.600 0.247 0.000 2.117 349 M HA -0.212 4.269 4.480 0.002 0.000 0.262 349 M C 2.385 178.860 176.300 0.293 0.000 1.065 349 M CA 1.643 57.106 55.300 0.272 0.000 1.114 349 M CB -0.117 32.614 32.600 0.218 0.000 1.361 349 M HN 0.058 nan 8.290 nan 0.000 0.408 350 R N 0.202 120.839 120.500 0.228 0.000 2.075 350 R HA 0.011 4.352 4.340 0.002 0.000 0.232 350 R C 2.228 178.661 176.300 0.222 0.000 1.126 350 R CA 1.541 57.758 56.100 0.195 0.000 0.963 350 R CB -1.393 28.996 30.300 0.148 0.000 0.858 350 R HN 0.508 nan 8.270 nan 0.000 0.435 351 A N 1.922 124.906 122.820 0.273 0.000 1.908 351 A HA -0.185 4.136 4.320 0.002 0.000 0.218 351 A C 1.975 179.760 177.584 0.334 0.000 1.181 351 A CA 1.578 53.807 52.037 0.321 0.000 0.627 351 A CB -0.472 18.783 19.000 0.426 0.000 0.818 351 A HN 0.317 nan 8.150 nan 0.000 0.445 352 N N 0.010 118.950 118.700 0.399 0.000 2.106 352 N HA -0.171 4.570 4.740 0.002 0.000 0.188 352 N C 2.067 177.824 175.510 0.412 0.000 1.029 352 N CA 1.706 55.038 53.050 0.471 0.000 0.848 352 N CB -0.357 38.462 38.487 0.553 0.000 1.007 352 N HN 0.818 nan 8.380 nan 0.000 0.423 353 Q N 0.632 120.612 119.800 0.299 0.000 2.167 353 Q HA 0.064 4.405 4.340 0.002 0.000 0.202 353 Q C 2.029 178.060 176.000 0.051 0.000 0.970 353 Q CA 1.231 57.025 55.803 -0.015 0.000 0.855 353 Q CB -0.302 28.385 28.738 -0.084 0.000 0.911 353 Q HN 0.202 nan 8.270 nan 0.000 0.438 354 A N 1.941 124.821 122.820 0.101 0.000 1.908 354 A HA -0.186 4.135 4.320 0.002 0.000 0.218 354 A C 2.161 179.778 177.584 0.055 0.000 1.181 354 A CA 1.591 53.674 52.037 0.077 0.000 0.627 354 A CB -0.658 18.407 19.000 0.108 0.000 0.818 354 A HN 0.387 nan 8.150 nan 0.000 0.445 355 L N -1.746 119.519 121.223 0.070 0.000 2.056 355 L HA -0.105 4.236 4.340 0.002 0.000 0.207 355 L C 2.284 179.168 176.870 0.023 0.000 1.078 355 L CA 2.352 57.190 54.840 -0.004 0.000 0.749 355 L CB -0.902 41.069 42.059 -0.147 0.000 0.901 355 L HN 0.513 nan 8.230 nan 0.000 0.433 356 Y N 0.225 120.486 120.300 -0.066 0.000 2.165 356 Y HA -0.262 4.289 4.550 0.001 0.000 0.286 356 Y C 2.406 178.236 175.900 -0.118 0.000 1.155 356 Y CA 2.063 60.093 58.100 -0.118 0.000 1.164 356 Y CB -0.335 37.890 38.460 -0.392 0.000 0.978 356 Y HN 0.277 nan 8.280 nan 0.000 0.513 357 A N -0.128 122.607 122.820 -0.141 0.000 1.940 357 A HA -0.280 4.041 4.320 0.002 0.000 0.219 357 A C 2.088 179.585 177.584 -0.145 0.000 1.176 357 A CA 1.929 53.854 52.037 -0.187 0.000 0.631 357 A CB -0.817 18.131 19.000 -0.085 0.000 0.814 357 A HN 0.598 nan 8.150 nan 0.000 0.446 358 Q N -0.310 119.437 119.800 -0.088 0.000 2.230 358 Q HA 0.094 4.435 4.340 0.002 0.000 0.202 358 Q C 1.253 177.216 176.000 -0.062 0.000 0.963 358 Q CA 1.060 56.831 55.803 -0.053 0.000 0.866 358 Q CB -0.354 28.366 28.738 -0.030 0.000 0.931 358 Q HN 0.616 nan 8.270 nan 0.000 0.452 359 L N 0.437 121.599 121.223 -0.103 0.000 2.688 359 L HA 0.098 4.439 4.340 0.002 0.000 0.234 359 L C 1.284 178.071 176.870 -0.138 0.000 1.192 359 L CA 0.007 54.786 54.840 -0.102 0.000 0.984 359 L CB -0.394 41.620 42.059 -0.075 0.000 1.232 359 L HN 0.345 nan 8.230 nan 0.000 0.465 360 H N 1.704 120.636 119.070 -0.231 0.000 2.353 360 H HA -0.146 4.411 4.556 0.002 0.000 0.298 360 H C -0.653 174.584 175.328 -0.152 0.000 1.103 360 H CA 1.863 57.771 56.048 -0.234 0.000 1.293 360 H CB -0.860 28.780 29.762 -0.203 0.000 1.372 360 H HN 0.111 nan 8.280 nan 0.000 0.501 361 P HA -0.191 nan 4.420 nan 0.000 0.218 361 P C 1.028 178.157 177.300 -0.285 0.000 1.152 361 P CA 2.411 65.287 63.100 -0.373 0.000 0.857 361 P CB -0.264 31.323 31.700 -0.189 0.000 0.787 362 I N -4.701 115.749 120.570 -0.200 0.000 3.654 362 I HA 0.323 4.494 4.170 0.002 0.000 0.337 362 I C 1.630 177.683 176.117 -0.107 0.000 1.568 362 I CA -0.468 60.754 61.300 -0.129 0.000 1.115 362 I CB -0.114 37.839 38.000 -0.078 0.000 1.300 362 I HN -0.242 nan 8.210 nan 0.000 0.471 363 K N 2.131 122.443 120.400 -0.147 0.000 2.089 363 K HA -0.220 4.101 4.320 0.002 0.000 0.210 363 K C 1.390 177.969 176.600 -0.035 0.000 1.048 363 K CA 2.332 58.561 56.287 -0.097 0.000 0.926 363 K CB -0.093 32.365 32.500 -0.070 0.000 0.714 363 K HN 0.578 nan 8.250 nan 0.000 0.448 364 E N -0.057 120.105 120.200 -0.062 0.000 2.478 364 E HA -0.018 4.333 4.350 0.002 0.000 0.198 364 E C 0.658 177.196 176.600 -0.104 0.000 1.046 364 E CA 0.536 56.895 56.400 -0.068 0.000 0.870 364 E CB 0.303 29.965 29.700 -0.062 0.000 0.818 364 E HN 0.173 nan 8.360 nan 0.000 0.527 365 S N 0.221 115.875 115.700 -0.077 0.000 2.602 365 S HA 0.275 4.746 4.470 0.002 0.000 0.240 365 S C 0.041 174.633 174.600 -0.013 0.000 0.992 365 S CA -0.222 57.937 58.200 -0.068 0.000 0.971 365 S CB 0.360 63.549 63.200 -0.017 0.000 0.855 365 S HN 0.100 nan 8.310 nan 0.000 0.481 366 I N 2.131 122.698 120.570 -0.004 0.000 2.420 366 I HA 0.349 4.520 4.170 0.002 0.000 0.282 366 I C -1.203 175.013 176.117 0.164 0.000 1.019 366 I CA -0.751 60.651 61.300 0.169 0.000 1.130 366 I CB 1.092 39.262 38.000 0.282 0.000 1.262 366 I HN 0.039 nan 8.210 nan 0.000 0.454 367 F N 5.851 125.891 119.950 0.150 0.000 2.487 367 F HA 0.049 4.577 4.527 0.001 0.000 0.364 367 F C 0.346 176.243 175.800 0.163 0.000 1.126 367 F CA -0.255 57.824 58.000 0.131 0.000 1.135 367 F CB 0.010 39.044 39.000 0.056 0.000 1.127 367 F HN 0.527 nan 8.300 nan 0.000 0.559 368 W N 7.117 128.493 121.300 0.128 0.000 2.361 368 W HA 0.460 5.121 4.660 0.001 0.000 0.309 368 W C -0.945 175.558 176.519 -0.026 0.000 1.122 368 W CA -0.995 56.331 57.345 -0.031 0.000 1.208 368 W CB 0.968 30.197 29.460 -0.385 0.000 1.246 368 W HN 0.461 nan 8.180 nan 0.000 0.490 369 R N 5.095 125.123 120.500 -0.786 0.000 2.513 369 R HA 0.285 4.625 4.340 0.002 0.000 0.301 369 R C -1.120 174.680 176.300 -0.833 0.000 0.968 369 R CA -0.984 54.750 56.100 -0.609 0.000 0.872 369 R CB 1.944 32.078 30.300 -0.277 0.000 1.177 369 R HN 0.601 nan 8.270 nan 0.000 0.444 370 Q N 2.101 121.617 119.800 -0.473 0.000 2.314 370 Q HA 0.409 4.750 4.340 0.002 0.000 0.259 370 Q C -0.938 174.991 176.000 -0.118 0.000 0.951 370 Q CA -0.614 55.043 55.803 -0.242 0.000 0.909 370 Q CB 1.785 30.557 28.738 0.056 0.000 1.236 370 Q HN 0.451 nan 8.270 nan 0.000 0.444 371 V N 3.122 122.974 119.914 -0.103 0.000 2.732 371 V HA 0.072 4.193 4.120 0.002 0.000 0.310 371 V C 0.609 176.683 176.094 -0.034 0.000 1.053 371 V CA -0.509 61.751 62.300 -0.068 0.000 0.957 371 V CB 1.761 33.543 31.823 -0.069 0.000 1.018 371 V HN 0.865 nan 8.190 nan 0.000 0.452 372 D N 2.269 122.645 120.400 -0.040 0.000 2.178 372 D HA -0.014 4.627 4.640 0.002 0.000 0.202 372 D C 1.195 177.466 176.300 -0.049 0.000 0.974 372 D CA 1.271 55.255 54.000 -0.028 0.000 0.841 372 D CB -0.043 40.737 40.800 -0.034 0.000 0.953 372 D HN 0.692 nan 8.370 nan 0.000 0.478 373 G N -1.265 107.473 108.800 -0.103 0.000 2.570 373 G HA2 0.457 4.418 3.960 0.002 0.000 0.276 373 G HA3 0.457 4.418 3.960 0.002 0.000 0.276 373 G C 0.476 175.332 174.900 -0.074 0.000 1.346 373 G CA -0.040 44.968 45.100 -0.154 0.000 1.034 373 G HN 0.342 nan 8.290 nan 0.000 0.512 374 G N -2.446 106.292 108.800 -0.104 0.000 3.122 374 G HA2 0.390 4.351 3.960 0.002 0.000 0.180 374 G HA3 0.390 4.351 3.960 0.002 0.000 0.180 374 G C -0.745 174.115 174.900 -0.066 0.000 1.279 374 G CA -0.597 44.489 45.100 -0.025 0.000 0.987 374 G HN 0.655 nan 8.290 nan 0.000 0.589 375 H N 0.733 119.741 119.070 -0.103 0.000 3.195 375 H HA 0.398 4.954 4.556 0.001 0.000 0.241 375 H C -1.084 173.901 175.328 -0.571 0.000 1.823 375 H CA 0.135 56.111 56.048 -0.119 0.000 1.466 375 H CB -0.238 29.545 29.762 0.035 0.000 1.819 375 H HN 0.209 nan 8.280 nan 0.000 0.575 376 D N 2.088 121.752 120.400 -1.228 0.000 2.763 376 D HA 0.187 4.828 4.640 0.002 0.000 0.235 376 D C 0.701 176.149 176.300 -1.421 0.000 1.334 376 D CA -0.166 53.224 54.000 -1.018 0.000 0.950 376 D CB 1.227 41.709 40.800 -0.530 0.000 1.433 376 D HN 0.457 nan 8.370 nan 0.000 0.580 377 A N 3.477 125.626 122.820 -1.118 0.000 1.978 377 A HA -0.161 4.160 4.320 0.002 0.000 0.220 377 A C 1.938 179.288 177.584 -0.390 0.000 1.170 377 A CA 0.982 52.641 52.037 -0.630 0.000 0.636 377 A CB -0.266 18.420 19.000 -0.524 0.000 0.810 377 A HN 0.554 nan 8.150 nan 0.000 0.448 378 L N -0.476 120.508 121.223 -0.398 0.000 2.083 378 L HA -0.179 4.162 4.340 0.002 0.000 0.209 378 L C 2.420 179.058 176.870 -0.387 0.000 1.083 378 L CA 2.101 56.703 54.840 -0.397 0.000 0.752 378 L CB -0.664 41.270 42.059 -0.209 0.000 0.899 378 L HN 0.488 nan 8.230 nan 0.000 0.433 379 C N -2.033 117.028 119.300 -0.399 0.000 2.500 379 C HA -0.103 4.358 4.460 0.002 0.000 0.279 379 C C 2.410 177.322 174.990 -0.130 0.000 1.288 379 C CA -0.132 58.700 59.018 -0.309 0.000 1.710 379 C CB -1.270 26.266 27.740 -0.340 0.000 2.052 379 C HN 0.722 nan 8.230 nan 0.000 0.488 380 W N 2.316 123.514 121.300 -0.170 0.000 2.321 380 W HA -0.173 4.488 4.660 0.001 0.000 0.306 380 W C 2.660 179.111 176.519 -0.114 0.000 1.217 380 W CA 1.677 58.952 57.345 -0.117 0.000 1.257 380 W CB -1.219 28.215 29.460 -0.043 0.000 1.145 380 W HN 0.498 nan 8.180 nan 0.000 0.509 381 R N 0.217 120.775 120.500 0.095 0.000 2.152 381 R HA -0.043 4.298 4.340 0.002 0.000 0.232 381 R C 2.267 178.603 176.300 0.059 0.000 1.117 381 R CA 1.784 57.862 56.100 -0.037 0.000 0.981 381 R CB -1.327 28.607 30.300 -0.611 0.000 0.870 381 R HN 0.100 nan 8.270 nan 0.000 0.451 382 G N 0.690 109.452 108.800 -0.063 0.000 2.404 382 G HA2 -0.147 3.814 3.960 0.002 0.000 0.214 382 G HA3 -0.147 3.814 3.960 0.002 0.000 0.214 382 G C 1.560 176.484 174.900 0.040 0.000 1.189 382 G CA 0.500 45.630 45.100 0.050 0.000 0.789 382 G HN 0.459 nan 8.290 nan 0.000 0.533 383 G N 0.582 109.377 108.800 -0.009 0.000 2.443 383 G HA2 -0.064 3.897 3.960 0.002 0.000 0.219 383 G HA3 -0.064 3.897 3.960 0.002 0.000 0.219 383 G C 1.718 176.560 174.900 -0.095 0.000 1.131 383 G CA 0.924 45.994 45.100 -0.050 0.000 0.775 383 G HN 0.389 nan 8.290 nan 0.000 0.547 384 L N 0.337 121.496 121.223 -0.106 0.000 2.012 384 L HA -0.018 4.323 4.340 0.002 0.000 0.210 384 L C 2.597 179.364 176.870 -0.170 0.000 1.073 384 L CA 1.772 56.486 54.840 -0.210 0.000 0.748 384 L CB -0.315 41.520 42.059 -0.373 0.000 0.891 384 L HN 0.091 nan 8.230 nan 0.000 0.431 385 M N -1.244 118.313 119.600 -0.072 0.000 2.156 385 M HA -0.126 4.355 4.480 0.002 0.000 0.264 385 M C 2.332 178.595 176.300 -0.061 0.000 1.067 385 M CA 1.382 56.645 55.300 -0.062 0.000 1.131 385 M CB -1.304 31.280 32.600 -0.026 0.000 1.368 385 M HN 0.359 nan 8.290 nan 0.000 0.416 386 Q N 0.346 120.113 119.800 -0.054 0.000 2.124 386 Q HA -0.042 4.299 4.340 0.002 0.000 0.202 386 Q C 1.992 177.907 176.000 -0.142 0.000 0.977 386 Q CA 2.081 57.843 55.803 -0.070 0.000 0.850 386 Q CB -0.822 27.884 28.738 -0.054 0.000 0.901 386 Q HN 0.533 nan 8.270 nan 0.000 0.429 387 G N 0.248 108.936 108.800 -0.186 0.000 2.421 387 G HA2 -0.209 3.752 3.960 0.002 0.000 0.216 387 G HA3 -0.209 3.752 3.960 0.002 0.000 0.216 387 G C 1.352 176.046 174.900 -0.344 0.000 1.171 387 G CA 0.858 45.791 45.100 -0.278 0.000 0.775 387 G HN 0.378 nan 8.290 nan 0.000 0.543 388 L N 0.110 121.148 121.223 -0.309 0.000 2.012 388 L HA -0.092 4.249 4.340 0.002 0.000 0.210 388 L C 2.912 179.664 176.870 -0.197 0.000 1.073 388 L CA 0.948 55.541 54.840 -0.411 0.000 0.748 388 L CB -0.490 41.435 42.059 -0.223 0.000 0.891 388 L HN 0.200 nan 8.230 nan 0.000 0.431 389 I N -0.048 120.506 120.570 -0.027 0.000 2.151 389 I HA -0.343 3.828 4.170 0.002 0.000 0.243 389 I C 2.170 178.303 176.117 0.026 0.000 1.080 389 I CA 1.481 62.833 61.300 0.087 0.000 1.339 389 I CB -0.416 37.611 38.000 0.045 0.000 1.039 389 I HN 0.297 nan 8.210 nan 0.000 0.409 390 D N 0.582 120.890 120.400 -0.153 0.000 2.144 390 D HA -0.097 4.544 4.640 0.002 0.000 0.200 390 D C 2.294 178.371 176.300 -0.373 0.000 0.978 390 D CA 1.171 55.002 54.000 -0.283 0.000 0.833 390 D CB -0.166 40.304 40.800 -0.550 0.000 0.961 390 D HN 0.289 nan 8.370 nan 0.000 0.470 391 L N -0.848 120.116 121.223 -0.431 0.000 2.217 391 L HA -0.070 4.271 4.340 0.002 0.000 0.211 391 L C 1.684 178.548 176.870 -0.011 0.000 1.107 391 L CA 0.455 55.108 54.840 -0.311 0.000 0.783 391 L CB -0.020 41.771 42.059 -0.447 0.000 0.919 391 L HN 0.129 nan 8.230 nan 0.000 0.442 392 W N -0.198 121.103 121.300 0.001 0.000 3.278 392 W HA 0.110 4.771 4.660 0.002 0.000 0.308 392 W C 2.180 178.771 176.519 0.120 0.000 1.253 392 W CA -0.341 57.027 57.345 0.039 0.000 1.759 392 W CB -0.246 29.236 29.460 0.037 0.000 1.093 392 W HN 0.225 nan 8.180 nan 0.000 0.648 393 Q N 1.498 121.509 119.800 0.352 0.000 2.062 393 Q HA -0.196 4.145 4.340 0.002 0.000 0.209 393 Q C -0.503 175.675 176.000 0.298 0.000 0.996 393 Q CA 2.702 58.714 55.803 0.347 0.000 0.859 393 Q CB -1.361 27.531 28.738 0.256 0.000 0.920 393 Q HN -0.002 nan 8.270 nan 0.000 0.415 394 P HA -0.172 nan 4.420 nan 0.000 0.218 394 P C 0.572 177.927 177.300 0.092 0.000 1.146 394 P CA 1.120 64.312 63.100 0.153 0.000 0.820 394 P CB -0.092 31.693 31.700 0.141 0.000 0.778 395 L N -3.596 117.650 121.223 0.040 0.000 2.362 395 L HA -0.046 4.295 4.340 0.002 0.000 0.219 395 L C 1.263 177.991 176.870 -0.236 0.000 1.134 395 L CA 0.571 55.319 54.840 -0.155 0.000 0.807 395 L CB -0.486 41.370 42.059 -0.338 0.000 0.927 395 L HN -0.021 nan 8.230 nan 0.000 0.447 396 F N 0.000 119.970 119.950 0.033 0.000 2.286 396 F HA 0.000 4.528 4.527 0.002 0.000 0.279 396 F CA 0.000 58.013 58.000 0.022 0.000 1.383 396 F CB 0.000 39.021 39.000 0.035 0.000 1.145 396 F HN 0.000 nan 8.300 nan 0.000 0.574