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 2fn0_1_A DATA FIRST_RESID 2 DATA SEQUENCE KISEFLHXXX XEEQWLPTIS GVLRQFAEEE CYVYERPPCW YLGKGCQARL DATA SEQUENCE HINADGTQAT FIDDAGEQKW AVDSIADCAR RFMAHPQVKG RRVYGQVGFN DATA SEQUENCE FAAHARGIAF NAGEWPLLTL TVPREELIFE KGNVTVYADX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX APLAVDTALN GEAYKQQVAR AVAEIRRGEY VKVIVSRAIP DATA SEQUENCE LPSRIDMPAT LLYGRQANTP VRSFMFRQEG REALGFSPEL VMSVTGNKVV DATA SEQUENCE TEPLAGTRDR MGNPEHNKAK EAELLHDSKE VLEHILSVKE AIAELEAVCL DATA SEQUENCE PGSVVVEDLM SVRQRGSVQH LGSGVSGQLA ENKDAWDAFT VLFPSITASG DATA SEQUENCE IPKNAALNAI MQIEKTPREL YSGAILLLDD TRFDAALVLR SVFQDSQRCW DATA SEQUENCE IQAGAGIIAQ STPERELTET REKLASIAPY LMV VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 K HA 0.000 nan 4.320 nan 0.000 0.191 2 K C 0.000 176.688 176.600 0.147 0.000 0.988 2 K CA 0.000 56.379 56.287 0.153 0.000 0.838 2 K CB 0.000 32.546 32.500 0.076 0.000 1.064 3 I N 2.390 122.986 120.570 0.042 0.000 2.821 3 I HA -0.006 4.163 4.170 -0.002 0.000 0.294 3 I C 1.040 177.059 176.117 -0.163 0.000 1.210 3 I CA 0.876 61.995 61.300 -0.302 0.000 1.430 3 I CB 1.004 38.861 38.000 -0.240 0.000 1.356 3 I HN 0.808 nan 8.210 nan 0.000 0.563 4 S N 4.283 119.869 115.700 -0.190 0.000 2.566 4 S HA 0.200 4.669 4.470 -0.002 0.000 0.234 4 S C 0.371 174.917 174.600 -0.089 0.000 1.075 4 S CA 0.724 58.865 58.200 -0.099 0.000 0.926 4 S CB 0.269 63.428 63.200 -0.068 0.000 0.811 4 S HN 0.803 nan 8.310 nan 0.000 0.518 5 E N 0.408 120.537 120.200 -0.118 0.000 2.343 5 E HA 0.647 4.996 4.350 -0.002 0.000 0.278 5 E C -1.781 174.806 176.600 -0.022 0.000 0.910 5 E CA -0.786 55.578 56.400 -0.060 0.000 0.757 5 E CB 1.103 30.762 29.700 -0.068 0.000 1.218 5 E HN 0.200 nan 8.360 nan 0.000 0.435 6 F N 1.938 121.809 119.950 -0.133 0.000 2.676 6 F HA 0.621 5.146 4.527 -0.003 0.000 0.371 6 F C -0.468 175.290 175.800 -0.070 0.000 1.141 6 F CA -0.770 57.160 58.000 -0.117 0.000 1.133 6 F CB 0.894 39.836 39.000 -0.096 0.000 1.376 6 F HN 0.850 nan 8.300 nan 0.000 0.491 7 L N 4.210 125.219 121.223 -0.358 0.000 2.287 7 L HA 0.832 5.171 4.340 -0.002 0.000 0.287 7 L C 0.534 177.207 176.870 -0.327 0.000 1.022 7 L CA -0.276 54.413 54.840 -0.252 0.000 0.814 7 L CB -0.533 41.443 42.059 -0.138 0.000 1.217 7 L HN 0.966 nan 8.230 nan 0.000 0.420 14 E N 0.101 120.035 120.200 -0.443 0.000 2.331 14 E HA 0.049 4.398 4.350 -0.002 0.000 0.199 14 E C 2.136 178.630 176.600 -0.176 0.000 1.008 14 E CA 2.523 58.772 56.400 -0.253 0.000 0.843 14 E CB -0.991 nan 29.700 nan 0.000 0.761 14 E HN 1.260 nan 8.360 nan 0.000 0.507 15 Q N -1.482 118.234 119.800 -0.140 0.000 2.282 15 Q HA 0.301 4.640 4.340 -0.002 0.000 0.206 15 Q C 1.763 177.811 176.000 0.079 0.000 0.878 15 Q CA 0.401 56.196 55.803 -0.014 0.000 0.944 15 Q CB -0.660 nan 28.738 nan 0.000 1.100 15 Q HN 0.767 nan 8.270 nan 0.000 0.509 16 W N 0.454 121.605 121.300 -0.248 0.000 2.380 16 W HA 0.021 4.680 4.660 -0.003 0.000 0.317 16 W C 2.684 178.770 176.519 -0.722 0.000 1.196 16 W CA 1.506 58.532 57.345 -0.530 0.000 1.307 16 W CB -1.119 27.945 29.460 -0.660 0.000 1.157 16 W HN 0.430 nan 8.180 nan 0.000 0.483 17 L N 0.504 121.475 121.223 -0.420 0.000 1.971 17 L HA -0.183 4.155 4.340 -0.002 0.000 0.215 17 L C 0.450 177.163 176.870 -0.261 0.000 1.072 17 L CA 3.190 57.755 54.840 -0.457 0.000 0.758 17 L CB -2.941 nan 42.059 nan 0.000 0.889 17 L HN -0.072 nan 8.230 nan 0.000 0.433 18 P HA -0.194 nan 4.420 nan 0.000 0.218 18 P C 1.848 179.109 177.300 -0.064 0.000 1.154 18 P CA 2.310 65.358 63.100 -0.088 0.000 0.872 18 P CB -0.321 31.344 31.700 -0.059 0.000 0.790 19 T N -0.916 113.607 114.554 -0.051 0.000 2.737 19 T HA -0.093 4.256 4.350 -0.002 0.000 0.265 19 T C 1.758 176.462 174.700 0.006 0.000 1.038 19 T CA 1.069 63.184 62.100 0.024 0.000 1.144 19 T CB -0.906 68.065 68.868 0.170 0.000 0.866 19 T HN 0.054 nan 8.240 nan 0.000 0.434 20 I N 1.230 121.727 120.570 -0.123 0.000 2.091 20 I HA -0.244 3.924 4.170 -0.002 0.000 0.239 20 I C 2.802 178.888 176.117 -0.051 0.000 1.061 20 I CA 1.381 62.618 61.300 -0.106 0.000 1.317 20 I CB -0.581 37.235 38.000 -0.306 0.000 1.031 20 I HN 0.245 nan 8.210 nan 0.000 0.401 21 S N 0.833 116.485 115.700 -0.080 0.000 2.372 21 S HA -0.233 4.236 4.470 -0.002 0.000 0.227 21 S C 2.163 176.750 174.600 -0.021 0.000 1.044 21 S CA 2.006 60.180 58.200 -0.042 0.000 1.050 21 S CB -0.967 62.204 63.200 -0.048 0.000 0.901 21 S HN 0.588 nan 8.310 nan 0.000 0.447 22 G N 0.675 109.465 108.800 -0.017 0.000 2.446 22 G HA2 -0.154 3.805 3.960 -0.002 0.000 0.217 22 G HA3 -0.154 3.805 3.960 -0.002 0.000 0.217 22 G C 1.527 176.428 174.900 0.001 0.000 1.168 22 G CA 1.177 46.274 45.100 -0.005 0.000 0.771 22 G HN 0.506 nan 8.290 nan 0.000 0.551 23 V N 1.194 121.116 119.914 0.014 0.000 2.255 23 V HA -0.193 3.926 4.120 -0.002 0.000 0.247 23 V C 2.939 179.028 176.094 -0.008 0.000 1.051 23 V CA 1.715 64.022 62.300 0.012 0.000 1.018 23 V CB -0.641 31.205 31.823 0.039 0.000 0.641 23 V HN 0.352 nan 8.190 nan 0.000 0.445 24 L N -0.713 120.505 121.223 -0.008 0.000 2.042 24 L HA -0.219 4.119 4.340 -0.002 0.000 0.210 24 L C 2.825 179.685 176.870 -0.018 0.000 1.076 24 L CA 1.793 56.623 54.840 -0.018 0.000 0.749 24 L CB -0.576 41.479 42.059 -0.007 0.000 0.893 24 L HN 0.261 nan 8.230 nan 0.000 0.432 25 R N -0.613 119.880 120.500 -0.013 0.000 2.075 25 R HA -0.133 4.206 4.340 -0.002 0.000 0.226 25 R C 2.673 178.964 176.300 -0.014 0.000 1.114 25 R CA 1.432 57.525 56.100 -0.012 0.000 0.972 25 R CB -0.503 29.792 30.300 -0.010 0.000 0.869 25 R HN 0.449 nan 8.270 nan 0.000 0.437 26 Q N -0.048 119.744 119.800 -0.013 0.000 2.050 26 Q HA -0.115 4.224 4.340 -0.002 0.000 0.202 26 Q C 1.539 177.527 176.000 -0.019 0.000 0.980 26 Q CA 1.913 57.708 55.803 -0.014 0.000 0.840 26 Q CB -0.869 27.863 28.738 -0.011 0.000 0.898 26 Q HN 0.533 nan 8.270 nan 0.000 0.424 27 F N 0.198 120.133 119.950 -0.025 0.000 2.963 27 F HA 0.823 5.348 4.527 -0.002 0.000 0.321 27 F C 1.050 176.823 175.800 -0.044 0.000 1.234 27 F CA -1.021 56.958 58.000 -0.035 0.000 1.296 27 F CB -1.057 37.919 39.000 -0.041 0.000 0.981 27 F HN 0.642 nan 8.300 nan 0.000 0.507 28 A N 0.130 122.929 122.820 -0.034 0.000 2.433 28 A HA 0.477 4.796 4.320 -0.002 0.000 0.250 28 A C 1.539 179.101 177.584 -0.037 0.000 1.113 28 A CA 1.193 53.210 52.037 -0.034 0.000 0.794 28 A CB -0.720 18.268 19.000 -0.021 0.000 1.067 28 A HN 2.266 nan 8.150 nan 0.000 0.510 29 E N -1.524 118.654 120.200 -0.036 0.000 3.680 29 E HA -0.266 4.082 4.350 -0.002 0.000 0.309 29 E C 0.009 176.578 176.600 -0.051 0.000 0.793 29 E CA 2.281 58.659 56.400 -0.037 0.000 1.083 29 E CB -2.339 nan 29.700 nan 0.000 1.548 29 E HN 0.976 nan 8.360 nan 0.000 0.456 30 E N -0.698 119.461 120.200 -0.068 0.000 2.238 30 E HA 0.497 4.845 4.350 -0.002 0.000 0.267 30 E C -0.623 175.891 176.600 -0.144 0.000 0.887 30 E CA -0.630 55.715 56.400 -0.092 0.000 0.769 30 E CB 1.131 30.778 29.700 -0.088 0.000 1.187 30 E HN 0.459 nan 8.360 nan 0.000 0.416 31 E N 1.685 121.780 120.200 -0.175 0.000 2.316 31 E HA 0.217 4.566 4.350 -0.002 0.000 0.275 31 E C -1.018 175.224 176.600 -0.597 0.000 1.029 31 E CA -0.159 56.064 56.400 -0.296 0.000 0.871 31 E CB 1.252 30.853 29.700 -0.165 0.000 1.022 31 E HN 0.282 nan 8.360 nan 0.000 0.418 32 C N 3.740 122.545 119.300 -0.824 0.000 2.994 32 C HA 0.603 5.061 4.460 -0.002 0.000 0.305 32 C C -1.885 172.379 174.990 -1.210 0.000 1.251 32 C CA -0.627 57.834 59.018 -0.927 0.000 1.478 32 C CB 0.524 28.040 27.740 -0.373 0.000 1.922 32 C HN 0.755 nan 8.230 nan 0.000 0.472 33 Y N 3.136 123.203 120.300 -0.387 0.000 2.332 33 Y HA 0.631 5.179 4.550 -0.002 0.000 0.325 33 Y C -0.266 175.516 175.900 -0.197 0.000 1.054 33 Y CA -0.968 56.717 58.100 -0.693 0.000 1.119 33 Y CB 1.097 38.716 38.460 -1.403 0.000 1.168 33 Y HN 0.361 nan 8.280 nan 0.000 0.439 34 V N 3.965 124.130 119.914 0.418 0.000 2.495 34 V HA 0.452 4.571 4.120 -0.002 0.000 0.298 34 V C -1.376 175.265 176.094 0.912 0.000 1.031 34 V CA -1.021 61.642 62.300 0.606 0.000 0.871 34 V CB 1.882 34.000 31.823 0.492 0.000 0.988 34 V HN 0.696 nan 8.190 nan 0.000 0.432 35 Y N 2.884 123.588 120.300 0.674 0.000 2.396 35 Y HA 0.454 5.002 4.550 -0.003 0.000 0.332 35 Y C -0.270 175.778 175.900 0.247 0.000 1.034 35 Y CA -0.660 57.738 58.100 0.497 0.000 1.057 35 Y CB 1.833 40.581 38.460 0.479 0.000 1.220 35 Y HN 0.722 nan 8.280 nan 0.000 0.440 36 E N 6.318 126.201 120.200 -0.528 0.000 2.134 36 E HA 0.389 4.738 4.350 -0.002 0.000 0.278 36 E C -1.138 175.103 176.600 -0.598 0.000 0.959 36 E CA -0.807 55.022 56.400 -0.952 0.000 0.783 36 E CB 0.858 29.478 29.700 -1.799 0.000 1.095 36 E HN 0.728 nan 8.360 nan 0.000 0.399 37 R N 4.469 124.844 120.500 -0.209 0.000 2.545 37 R HA 0.332 4.671 4.340 -0.002 0.000 0.289 37 R C -2.619 173.701 176.300 0.034 0.000 1.327 37 R CA -1.308 54.773 56.100 -0.031 0.000 1.040 37 R CB 1.734 32.163 30.300 0.216 0.000 1.176 37 R HN 0.433 nan 8.270 nan 0.000 0.518 38 P HA -0.044 nan 4.420 nan 0.000 0.261 38 P C -1.986 175.377 177.300 0.104 0.000 1.165 38 P CA -0.521 62.613 63.100 0.056 0.000 0.759 38 P CB 0.159 31.886 31.700 0.044 0.000 0.772 39 P HA 0.278 nan 4.420 nan 0.000 0.254 39 P C -0.759 176.709 177.300 0.280 0.000 1.494 39 P CA 0.151 63.371 63.100 0.200 0.000 0.961 39 P CB -0.510 31.304 31.700 0.190 0.000 1.493 40 C N -0.806 118.595 119.300 0.168 0.000 2.614 40 C HA 0.596 5.055 4.460 -0.002 0.000 0.320 40 C C -0.555 174.446 174.990 0.018 0.000 1.200 40 C CA -0.578 58.466 59.018 0.043 0.000 1.700 40 C CB 0.873 28.441 27.740 -0.286 0.000 2.275 40 C HN 0.240 nan 8.230 nan 0.000 0.492 41 W N 0.829 122.055 121.300 -0.124 0.000 2.573 41 W HA 0.622 5.281 4.660 -0.001 0.000 0.326 41 W C -0.810 175.700 176.519 -0.015 0.000 1.049 41 W CA -0.230 57.129 57.345 0.023 0.000 1.220 41 W CB 0.622 30.068 29.460 -0.024 0.000 1.373 41 W HN 0.548 nan 8.180 nan 0.000 0.507 42 Y N 3.142 123.778 120.300 0.561 0.000 2.377 42 Y HA 0.672 5.221 4.550 -0.002 0.000 0.339 42 Y C -0.303 175.930 175.900 0.556 0.000 1.011 42 Y CA -1.290 57.121 58.100 0.519 0.000 1.093 42 Y CB 1.509 40.268 38.460 0.498 0.000 1.201 42 Y HN 0.230 nan 8.280 nan 0.000 0.455 43 L N 2.288 123.839 121.223 0.547 0.000 2.409 43 L HA 0.927 5.265 4.340 -0.002 0.000 0.272 43 L C -0.468 176.476 176.870 0.125 0.000 0.980 43 L CA -0.343 54.695 54.840 0.331 0.000 0.826 43 L CB 1.677 43.935 42.059 0.332 0.000 1.268 43 L HN 0.793 nan 8.230 nan 0.000 0.407 44 G N 3.208 111.902 108.800 -0.177 0.000 2.420 44 G HA2 0.527 4.486 3.960 -0.002 0.000 0.331 44 G HA3 0.527 4.486 3.960 -0.002 0.000 0.331 44 G C -1.792 172.994 174.900 -0.191 0.000 1.168 44 G CA -0.546 44.406 45.100 -0.247 0.000 0.936 44 G HN 0.602 nan 8.290 nan 0.000 0.479 45 K N 0.932 121.273 120.400 -0.097 0.000 2.427 45 K HA 0.616 4.935 4.320 -0.002 0.000 0.252 45 K C 0.488 177.057 176.600 -0.052 0.000 0.931 45 K CA 0.335 56.534 56.287 -0.146 0.000 0.793 45 K CB 1.740 34.184 32.500 -0.095 0.000 1.211 45 K HN 1.444 nan 8.250 nan 0.000 0.426 46 G N 1.373 110.124 108.800 -0.082 0.000 2.645 46 G HA2 -0.263 3.696 3.960 -0.002 0.000 0.239 46 G HA3 -0.263 3.696 3.960 -0.002 0.000 0.239 46 G C -1.091 173.866 174.900 0.096 0.000 1.331 46 G CA -0.243 44.854 45.100 -0.006 0.000 0.890 46 G HN 0.947 nan 8.290 nan 0.000 0.572 47 C N -0.341 118.986 119.300 0.044 0.000 2.789 47 C HA 0.708 5.167 4.460 -0.002 0.000 0.367 47 C C 1.125 176.108 174.990 -0.011 0.000 1.062 47 C CA 0.425 59.461 59.018 0.029 0.000 1.297 47 C CB 0.591 28.335 27.740 0.007 0.000 1.794 47 C HN 0.972 nan 8.230 nan 0.000 0.474 48 Q N 3.028 122.828 119.800 -0.001 0.000 2.163 48 Q HA 0.382 4.720 4.340 -0.002 0.000 0.198 48 Q C 0.637 176.610 176.000 -0.045 0.000 0.954 48 Q CA 1.300 57.097 55.803 -0.010 0.000 0.851 48 Q CB 0.475 29.223 28.738 0.017 0.000 0.928 48 Q HN 0.926 nan 8.270 nan 0.000 0.459 49 A N 0.096 122.899 122.820 -0.028 0.000 2.589 49 A HA 0.697 5.015 4.320 -0.002 0.000 0.296 49 A C -1.413 176.220 177.584 0.082 0.000 1.062 49 A CA -0.691 51.304 52.037 -0.069 0.000 0.686 49 A CB 1.684 20.684 19.000 -0.000 0.000 1.282 49 A HN 0.214 nan 8.150 nan 0.000 0.404 50 R N 1.073 121.530 120.500 -0.071 0.000 2.604 50 R HA 0.616 4.955 4.340 -0.002 0.000 0.270 50 R C -2.342 173.738 176.300 -0.366 0.000 1.052 50 R CA -0.672 55.304 56.100 -0.206 0.000 0.902 50 R CB 1.476 31.638 30.300 -0.230 0.000 1.233 50 R HN 0.878 nan 8.270 nan 0.000 0.455 51 L N 3.645 124.423 121.223 -0.740 0.000 2.307 51 L HA 0.494 4.833 4.340 -0.002 0.000 0.284 51 L C -1.264 175.413 176.870 -0.321 0.000 1.023 51 L CA -0.179 54.347 54.840 -0.522 0.000 0.810 51 L CB 1.360 43.020 42.059 -0.665 0.000 1.231 51 L HN 0.694 nan 8.230 nan 0.000 0.423 52 H N 6.416 125.314 119.070 -0.286 0.000 2.658 52 H HA 0.419 4.974 4.556 -0.002 0.000 0.337 52 H C -1.532 173.719 175.328 -0.129 0.000 1.009 52 H CA -0.746 55.189 56.048 -0.189 0.000 1.231 52 H CB 1.493 31.156 29.762 -0.164 0.000 1.508 52 H HN 0.479 nan 8.280 nan 0.000 0.517 53 I N 5.654 125.962 120.570 -0.438 0.000 2.339 53 I HA 0.042 4.211 4.170 -0.002 0.000 0.290 53 I C 0.600 176.473 176.117 -0.406 0.000 0.994 53 I CA -0.786 60.347 61.300 -0.279 0.000 1.191 53 I CB 0.778 38.670 38.000 -0.179 0.000 1.343 53 I HN 0.647 nan 8.210 nan 0.000 0.458 54 N N 5.358 123.968 118.700 -0.149 0.000 2.288 54 N HA 0.106 4.844 4.740 -0.002 0.000 0.237 54 N C 0.946 176.472 175.510 0.026 0.000 1.311 54 N CA 0.014 53.056 53.050 -0.014 0.000 0.909 54 N CB 0.449 39.024 38.487 0.147 0.000 1.167 54 N HN 0.593 nan 8.380 nan 0.000 0.476 55 A N -0.462 122.427 122.820 0.115 0.000 1.972 55 A HA -0.202 4.116 4.320 -0.002 0.000 0.219 55 A C 1.129 178.880 177.584 0.279 0.000 1.169 55 A CA 1.924 54.072 52.037 0.186 0.000 0.635 55 A CB -0.777 18.354 19.000 0.217 0.000 0.810 55 A HN 0.865 nan 8.150 nan 0.000 0.446 56 D N -2.746 117.794 120.400 0.233 0.000 2.369 56 D HA 0.300 4.939 4.640 -0.002 0.000 0.211 56 D C 1.046 177.544 176.300 0.331 0.000 1.077 56 D CA 0.636 54.811 54.000 0.292 0.000 0.842 56 D CB -0.647 40.194 40.800 0.068 0.000 0.947 56 D HN 0.751 nan 8.370 nan 0.000 0.509 57 G N 0.645 109.543 108.800 0.164 0.000 2.176 57 G HA2 -0.321 3.638 3.960 -0.002 0.000 0.252 57 G HA3 -0.321 3.638 3.960 -0.002 0.000 0.252 57 G C 0.933 175.902 174.900 0.115 0.000 1.024 57 G CA 0.934 46.012 45.100 -0.037 0.000 0.755 57 G HN 0.595 nan 8.290 nan 0.000 0.507 58 T N -3.614 111.008 114.554 0.113 0.000 3.044 58 T HA 0.440 4.788 4.350 -0.002 0.000 0.250 58 T C 0.690 175.442 174.700 0.087 0.000 1.081 58 T CA 0.937 63.102 62.100 0.109 0.000 1.040 58 T CB 0.518 69.436 68.868 0.082 0.000 0.962 58 T HN 0.522 nan 8.240 nan 0.000 0.506 59 Q N 0.404 120.249 119.800 0.074 0.000 2.289 59 Q HA 0.680 5.019 4.340 -0.002 0.000 0.270 59 Q C -1.732 174.308 176.000 0.068 0.000 1.038 59 Q CA -0.875 54.974 55.803 0.077 0.000 0.812 59 Q CB 2.546 31.331 28.738 0.079 0.000 1.300 59 Q HN 0.359 nan 8.270 nan 0.000 0.427 60 A N 1.986 124.854 122.820 0.079 0.000 2.273 60 A HA 0.666 4.985 4.320 -0.002 0.000 0.315 60 A C -0.494 177.099 177.584 0.014 0.000 1.256 60 A CA -0.397 51.676 52.037 0.060 0.000 0.851 60 A CB 0.848 19.932 19.000 0.140 0.000 1.172 60 A HN 0.538 nan 8.150 nan 0.000 0.508 61 T N 2.547 117.078 114.554 -0.038 0.000 2.771 61 T HA 0.496 4.844 4.350 -0.002 0.000 0.281 61 T C -0.869 173.648 174.700 -0.305 0.000 0.982 61 T CA -0.019 61.998 62.100 -0.137 0.000 0.978 61 T CB 0.526 69.347 68.868 -0.079 0.000 0.930 61 T HN 0.472 nan 8.240 nan 0.000 0.447 62 F N 4.595 124.134 119.950 -0.685 0.000 2.427 62 F HA 0.711 5.236 4.527 -0.003 0.000 0.346 62 F C -1.105 174.458 175.800 -0.395 0.000 1.120 62 F CA -1.432 56.101 58.000 -0.778 0.000 1.033 62 F CB 0.530 38.588 39.000 -1.569 0.000 1.126 62 F HN 0.429 nan 8.300 nan 0.000 0.462 63 I N 6.286 126.222 120.570 -1.056 0.000 2.436 63 I HA 0.372 4.541 4.170 -0.002 0.000 0.289 63 I C -1.180 174.362 176.117 -0.959 0.000 1.010 63 I CA -0.663 60.178 61.300 -0.765 0.000 1.098 63 I CB 1.717 39.468 38.000 -0.414 0.000 1.266 63 I HN 0.611 nan 8.210 nan 0.000 0.434 64 D N 2.601 122.623 120.400 -0.630 0.000 2.846 64 D HA 0.260 4.898 4.640 -0.002 0.000 0.273 64 D C 0.259 176.470 176.300 -0.148 0.000 1.145 64 D CA -0.459 53.335 54.000 -0.343 0.000 1.091 64 D CB 0.446 41.134 40.800 -0.187 0.000 1.364 64 D HN 0.250 nan 8.370 nan 0.000 0.613 65 D N -0.447 119.916 120.400 -0.062 0.000 2.117 65 D HA -0.033 4.606 4.640 -0.002 0.000 0.197 65 D C 1.820 178.114 176.300 -0.010 0.000 0.987 65 D CA 2.086 56.069 54.000 -0.030 0.000 0.829 65 D CB -0.515 40.284 40.800 -0.002 0.000 0.961 65 D HN 0.507 nan 8.370 nan 0.000 0.460 66 A N -0.194 122.640 122.820 0.023 0.000 2.172 66 A HA 0.396 4.715 4.320 -0.002 0.000 0.216 66 A C 1.267 178.873 177.584 0.037 0.000 1.154 66 A CA 1.521 53.586 52.037 0.046 0.000 0.701 66 A CB -0.140 18.915 19.000 0.092 0.000 0.789 66 A HN 0.379 nan 8.150 nan 0.000 0.465 67 G N -1.436 107.366 108.800 0.004 0.000 2.302 67 G HA2 0.216 4.175 3.960 -0.002 0.000 0.276 67 G HA3 0.216 4.175 3.960 -0.002 0.000 0.276 67 G C -0.944 173.930 174.900 -0.045 0.000 1.316 67 G CA -0.184 44.907 45.100 -0.014 0.000 0.988 67 G HN 0.449 nan 8.290 nan 0.000 0.479 68 E N -0.173 120.010 120.200 -0.028 0.000 2.183 68 E HA 0.659 5.008 4.350 -0.002 0.000 0.271 68 E C -0.484 176.133 176.600 0.029 0.000 0.919 68 E CA -0.492 55.876 56.400 -0.055 0.000 0.781 68 E CB 1.228 30.884 29.700 -0.073 0.000 1.140 68 E HN 0.488 nan 8.360 nan 0.000 0.402 69 Q N 2.442 122.264 119.800 0.037 0.000 2.397 69 Q HA 0.405 4.744 4.340 -0.002 0.000 0.275 69 Q C -1.123 174.895 176.000 0.030 0.000 1.090 69 Q CA -1.223 54.655 55.803 0.126 0.000 0.809 69 Q CB 2.150 31.088 28.738 0.333 0.000 1.362 69 Q HN 0.246 nan 8.270 nan 0.000 0.431 70 K N 1.363 121.844 120.400 0.135 0.000 2.213 70 K HA 0.375 4.693 4.320 -0.002 0.000 0.270 70 K C -1.141 175.678 176.600 0.364 0.000 1.002 70 K CA -0.275 56.100 56.287 0.148 0.000 0.868 70 K CB 1.104 33.674 32.500 0.117 0.000 1.093 70 K HN 0.444 nan 8.250 nan 0.000 0.454 71 W N 0.585 121.928 121.300 0.071 0.000 2.606 71 W HA 0.430 5.088 4.660 -0.003 0.000 0.332 71 W C 0.243 176.782 176.519 0.034 0.000 1.052 71 W CA -1.666 55.708 57.345 0.047 0.000 1.223 71 W CB 0.940 30.429 29.460 0.048 0.000 1.383 71 W HN 0.589 nan 8.180 nan 0.000 0.524 72 A N 1.940 124.883 122.820 0.205 0.000 2.566 72 A HA 0.228 4.546 4.320 -0.002 0.000 0.245 72 A C 0.287 177.947 177.584 0.126 0.000 1.056 72 A CA 0.133 52.240 52.037 0.118 0.000 0.757 72 A CB 0.378 19.407 19.000 0.048 0.000 0.979 72 A HN 0.689 nan 8.150 nan 0.000 0.508 73 V N 2.542 122.524 119.914 0.114 0.000 3.006 73 V HA 0.090 4.209 4.120 -0.002 0.000 0.357 73 V C 0.528 176.695 176.094 0.121 0.000 1.377 73 V CA 0.390 62.759 62.300 0.115 0.000 1.198 73 V CB -0.777 31.111 31.823 0.109 0.000 1.216 73 V HN 0.957 nan 8.190 nan 0.000 0.520 74 D N 0.544 120.996 120.400 0.087 0.000 2.178 74 D HA -0.063 4.575 4.640 -0.002 0.000 0.201 74 D C 1.064 177.412 176.300 0.081 0.000 0.980 74 D CA 1.224 55.267 54.000 0.072 0.000 0.842 74 D CB 0.134 40.955 40.800 0.036 0.000 0.948 74 D HN 0.430 nan 8.370 nan 0.000 0.472 75 S N -0.879 114.866 115.700 0.074 0.000 2.756 75 S HA 0.323 4.791 4.470 -0.002 0.000 0.303 75 S C 0.729 175.367 174.600 0.064 0.000 1.135 75 S CA -0.762 57.478 58.200 0.066 0.000 1.066 75 S CB 0.353 63.574 63.200 0.034 0.000 1.008 75 S HN 0.051 nan 8.310 nan 0.000 0.482 76 I N 4.056 124.670 120.570 0.073 0.000 2.226 76 I HA -0.158 4.011 4.170 -0.002 0.000 0.245 76 I C 2.768 178.912 176.117 0.044 0.000 1.100 76 I CA 1.554 62.886 61.300 0.053 0.000 1.374 76 I CB -0.481 37.551 38.000 0.053 0.000 1.057 76 I HN 0.793 nan 8.210 nan 0.000 0.413 77 A N 0.618 123.493 122.820 0.092 0.000 1.917 77 A HA -0.287 4.031 4.320 -0.002 0.000 0.219 77 A C 1.951 179.438 177.584 -0.162 0.000 1.182 77 A CA 2.363 54.406 52.037 0.010 0.000 0.633 77 A CB -0.658 18.447 19.000 0.176 0.000 0.819 77 A HN 0.369 nan 8.150 nan 0.000 0.448 78 D N -0.746 119.617 120.400 -0.062 0.000 2.178 78 D HA -0.093 4.546 4.640 -0.002 0.000 0.202 78 D C 2.013 178.259 176.300 -0.089 0.000 0.974 78 D CA 1.186 55.140 54.000 -0.077 0.000 0.841 78 D CB -0.588 40.191 40.800 -0.036 0.000 0.953 78 D HN 0.465 nan 8.370 nan 0.000 0.478 79 C N 1.017 120.297 119.300 -0.033 0.000 2.429 79 C HA -0.058 4.401 4.460 -0.002 0.000 0.277 79 C C 2.900 177.905 174.990 0.024 0.000 1.262 79 C CA 0.846 59.913 59.018 0.083 0.000 1.733 79 C CB -0.975 26.847 27.740 0.137 0.000 2.010 79 C HN 0.365 nan 8.230 nan 0.000 0.483 80 A N 0.587 123.252 122.820 -0.258 0.000 1.902 80 A HA -0.181 4.138 4.320 -0.002 0.000 0.217 80 A C 2.212 179.510 177.584 -0.477 0.000 1.181 80 A CA 1.451 53.151 52.037 -0.562 0.000 0.623 80 A CB -0.531 17.599 19.000 -1.450 0.000 0.818 80 A HN 0.664 nan 8.150 nan 0.000 0.443 81 R N -0.976 119.214 120.500 -0.516 0.000 2.081 81 R HA -0.134 4.205 4.340 -0.002 0.000 0.235 81 R C 2.520 178.789 176.300 -0.052 0.000 1.131 81 R CA 1.597 57.568 56.100 -0.215 0.000 0.960 81 R CB -0.323 29.897 30.300 -0.134 0.000 0.856 81 R HN 0.598 nan 8.270 nan 0.000 0.436 82 R N 0.185 120.647 120.500 -0.064 0.000 2.081 82 R HA -0.175 4.164 4.340 -0.002 0.000 0.235 82 R C 2.069 178.418 176.300 0.083 0.000 1.131 82 R CA 1.590 57.629 56.100 -0.101 0.000 0.960 82 R CB -0.353 29.756 30.300 -0.318 0.000 0.856 82 R HN 0.161 nan 8.270 nan 0.000 0.436 83 F N 0.854 120.906 119.950 0.170 0.000 2.095 83 F HA -0.232 4.293 4.527 -0.003 0.000 0.298 83 F C 2.049 177.940 175.800 0.153 0.000 1.104 83 F CA 1.579 59.733 58.000 0.258 0.000 1.232 83 F CB -0.085 39.029 39.000 0.189 0.000 0.987 83 F HN 0.022 nan 8.300 nan 0.000 0.475 84 M N 0.083 119.797 119.600 0.190 0.000 2.279 84 M HA -0.061 4.417 4.480 -0.002 0.000 0.264 84 M C 2.237 178.545 176.300 0.013 0.000 1.062 84 M CA 1.434 56.799 55.300 0.108 0.000 1.099 84 M CB -1.946 30.800 32.600 0.243 0.000 1.394 84 M HN 0.315 nan 8.290 nan 0.000 0.426 85 A N -1.483 121.342 122.820 0.009 0.000 2.251 85 A HA -0.023 4.296 4.320 -0.002 0.000 0.209 85 A C 0.953 178.502 177.584 -0.059 0.000 1.187 85 A CA -0.115 51.906 52.037 -0.027 0.000 0.823 85 A CB -0.805 18.171 19.000 -0.039 0.000 0.846 85 A HN 0.431 nan 8.150 nan 0.000 0.486 86 H N 1.220 120.190 119.070 -0.167 0.000 2.897 86 H HA 0.070 4.624 4.556 -0.003 0.000 0.347 86 H C -1.504 173.742 175.328 -0.137 0.000 1.068 86 H CA -0.885 55.053 56.048 -0.182 0.000 1.426 86 H CB 1.252 30.869 29.762 -0.242 0.000 1.410 86 H HN 0.089 nan 8.280 nan 0.000 0.597 87 P HA -0.158 nan 4.420 nan 0.000 0.219 87 P C 0.904 178.241 177.300 0.063 0.000 1.146 87 P CA 1.084 64.115 63.100 -0.116 0.000 0.808 87 P CB 0.383 31.965 31.700 -0.196 0.000 0.779 88 Q N -0.823 119.167 119.800 0.317 0.000 2.472 88 Q HA 0.041 4.380 4.340 -0.002 0.000 0.208 88 Q C 1.823 177.851 176.000 0.047 0.000 0.958 88 Q CA 0.614 56.540 55.803 0.204 0.000 0.932 88 Q CB -0.093 28.802 28.738 0.263 0.000 1.007 88 Q HN 0.262 nan 8.270 nan 0.000 0.508 89 V N -0.648 119.251 119.914 -0.025 0.000 3.090 89 V HA 0.065 4.184 4.120 -0.002 0.000 0.237 89 V C 0.876 176.916 176.094 -0.091 0.000 1.209 89 V CA -0.121 62.079 62.300 -0.166 0.000 1.209 89 V CB 0.345 31.864 31.823 -0.506 0.000 0.971 89 V HN 0.078 nan 8.190 nan 0.000 0.477 90 K N 1.070 121.432 120.400 -0.063 0.000 2.491 90 K HA 0.207 4.525 4.320 -0.002 0.000 0.279 90 K C 1.192 177.772 176.600 -0.032 0.000 1.026 90 K CA 1.142 57.404 56.287 -0.041 0.000 1.070 90 K CB 0.115 32.593 32.500 -0.036 0.000 0.887 90 K HN 0.562 nan 8.250 nan 0.000 0.481 91 G N 3.301 112.083 108.800 -0.031 0.000 2.176 91 G HA2 -0.216 3.743 3.960 -0.002 0.000 0.253 91 G HA3 -0.216 3.743 3.960 -0.002 0.000 0.253 91 G C -0.078 174.798 174.900 -0.040 0.000 0.979 91 G CA -0.162 44.920 45.100 -0.030 0.000 0.641 91 G HN 0.544 nan 8.290 nan 0.000 0.530 92 R N 0.046 120.520 120.500 -0.043 0.000 2.732 92 R HA 0.550 4.889 4.340 -0.002 0.000 0.278 92 R C 0.453 176.714 176.300 -0.065 0.000 0.976 92 R CA -1.031 55.043 56.100 -0.043 0.000 0.963 92 R CB 1.070 31.359 30.300 -0.019 0.000 1.150 92 R HN 0.335 nan 8.270 nan 0.000 0.478 93 R N 1.004 121.455 120.500 -0.082 0.000 2.537 93 R HA 0.205 4.544 4.340 -0.002 0.000 0.280 93 R C -0.748 175.469 176.300 -0.138 0.000 1.058 93 R CA -0.033 55.964 56.100 -0.172 0.000 1.057 93 R CB 0.555 30.728 30.300 -0.211 0.000 0.973 93 R HN 0.244 nan 8.270 nan 0.000 0.438 94 V N 5.686 125.451 119.914 -0.249 0.000 2.495 94 V HA 0.309 4.427 4.120 -0.002 0.000 0.298 94 V C -1.157 174.717 176.094 -0.368 0.000 1.031 94 V CA -0.707 61.512 62.300 -0.136 0.000 0.871 94 V CB 1.520 33.339 31.823 -0.007 0.000 0.988 94 V HN 0.642 nan 8.190 nan 0.000 0.432 95 Y N 2.492 122.617 120.300 -0.292 0.000 2.331 95 Y HA 0.768 5.316 4.550 -0.002 0.000 0.338 95 Y C 0.730 176.482 175.900 -0.246 0.000 0.992 95 Y CA -0.363 57.544 58.100 -0.321 0.000 1.121 95 Y CB 2.076 40.200 38.460 -0.559 0.000 1.184 95 Y HN 0.747 nan 8.280 nan 0.000 0.469 96 G N 2.228 111.047 108.800 0.032 0.000 2.605 96 G HA2 0.665 4.624 3.960 -0.002 0.000 0.296 96 G HA3 0.665 4.624 3.960 -0.002 0.000 0.296 96 G C -1.847 173.095 174.900 0.070 0.000 1.304 96 G CA -0.994 44.096 45.100 -0.016 0.000 0.941 96 G HN 0.557 nan 8.290 nan 0.000 0.475 97 Q N -1.117 118.682 119.800 -0.001 0.000 2.379 97 Q HA 0.707 5.045 4.340 -0.002 0.000 0.278 97 Q C -1.982 173.974 176.000 -0.075 0.000 1.068 97 Q CA -0.976 54.808 55.803 -0.032 0.000 0.816 97 Q CB 2.721 31.507 28.738 0.081 0.000 1.387 97 Q HN 0.415 nan 8.270 nan 0.000 0.413 98 V N 1.387 121.262 119.914 -0.066 0.000 2.482 98 V HA 0.596 4.714 4.120 -0.002 0.000 0.295 98 V C 0.319 176.466 176.094 0.088 0.000 1.026 98 V CA -0.356 61.858 62.300 -0.143 0.000 0.856 98 V CB 1.448 33.001 31.823 -0.449 0.000 1.001 98 V HN 0.908 nan 8.190 nan 0.000 0.424 99 G N 1.615 110.502 108.800 0.144 0.000 2.539 99 G HA2 0.314 4.273 3.960 -0.002 0.000 0.258 99 G HA3 0.314 4.273 3.960 -0.002 0.000 0.258 99 G C 0.421 175.575 174.900 0.424 0.000 1.202 99 G CA -0.189 45.069 45.100 0.263 0.000 0.851 99 G HN 0.658 nan 8.290 nan 0.000 0.556 100 F N 1.506 121.595 119.950 0.231 0.000 2.115 100 F HA -0.220 4.305 4.527 -0.003 0.000 0.300 100 F C 2.125 178.036 175.800 0.186 0.000 1.092 100 F CA 2.045 60.163 58.000 0.197 0.000 1.245 100 F CB 0.092 39.113 39.000 0.036 0.000 0.995 100 F HN 0.372 nan 8.300 nan 0.000 0.481 101 N N -0.041 118.614 118.700 -0.076 0.000 2.550 101 N HA -0.151 4.588 4.740 -0.002 0.000 0.186 101 N C 1.723 176.979 175.510 -0.423 0.000 1.110 101 N CA 0.662 53.416 53.050 -0.494 0.000 0.912 101 N CB -0.796 37.330 38.487 -0.601 0.000 0.968 101 N HN 0.446 nan 8.380 nan 0.000 0.448 102 F N 1.894 121.721 119.950 -0.205 0.000 2.147 102 F HA -0.283 4.242 4.527 -0.004 0.000 0.301 102 F C 2.055 177.808 175.800 -0.078 0.000 1.084 102 F CA 1.532 59.445 58.000 -0.145 0.000 1.268 102 F CB -0.144 38.724 39.000 -0.221 0.000 1.009 102 F HN 0.067 nan 8.300 nan 0.000 0.486 103 A N 0.466 123.309 122.820 0.038 0.000 1.855 103 A HA 0.002 4.320 4.320 -0.002 0.000 0.215 103 A C 2.470 179.914 177.584 -0.234 0.000 1.191 103 A CA 1.739 53.749 52.037 -0.045 0.000 0.613 103 A CB -1.644 17.316 19.000 -0.066 0.000 0.829 103 A HN 0.535 nan 8.150 nan 0.000 0.442 104 A N -1.011 121.605 122.820 -0.339 0.000 1.873 104 A HA -0.304 4.015 4.320 -0.002 0.000 0.218 104 A C 2.198 179.696 177.584 -0.144 0.000 1.193 104 A CA 2.052 53.937 52.037 -0.253 0.000 0.629 104 A CB -1.132 17.658 19.000 -0.349 0.000 0.826 104 A HN 0.738 nan 8.150 nan 0.000 0.447 105 H N -0.134 118.742 119.070 -0.323 0.000 2.319 105 H HA -0.083 4.471 4.556 -0.002 0.000 0.299 105 H C 2.317 177.518 175.328 -0.211 0.000 1.092 105 H CA 1.929 57.889 56.048 -0.147 0.000 1.302 105 H CB -0.275 29.378 29.762 -0.182 0.000 1.373 105 H HN 0.419 nan 8.280 nan 0.000 0.497 106 A N 0.740 123.410 122.820 -0.250 0.000 2.067 106 A HA -0.101 4.217 4.320 -0.002 0.000 0.219 106 A C 2.458 179.942 177.584 -0.167 0.000 1.158 106 A CA 1.150 53.024 52.037 -0.272 0.000 0.661 106 A CB -0.273 18.424 19.000 -0.505 0.000 0.801 106 A HN 0.392 nan 8.150 nan 0.000 0.452 107 R N -1.785 118.623 120.500 -0.153 0.000 2.312 107 R HA 0.236 4.575 4.340 -0.002 0.000 0.205 107 R C 1.113 177.360 176.300 -0.088 0.000 0.904 107 R CA 0.519 56.558 56.100 -0.101 0.000 1.052 107 R CB 0.155 30.400 30.300 -0.091 0.000 1.014 107 R HN 0.599 nan 8.270 nan 0.000 0.503 108 G N 1.821 110.553 108.800 -0.113 0.000 2.221 108 G HA2 -0.276 3.682 3.960 -0.002 0.000 0.265 108 G HA3 -0.276 3.682 3.960 -0.002 0.000 0.265 108 G C 0.026 174.899 174.900 -0.044 0.000 1.041 108 G CA 0.039 45.082 45.100 -0.096 0.000 0.807 108 G HN 0.227 nan 8.290 nan 0.000 0.502 109 I N 0.903 121.462 120.570 -0.017 0.000 2.396 109 I HA 0.561 4.730 4.170 -0.002 0.000 0.292 109 I C 0.995 177.174 176.117 0.104 0.000 0.999 109 I CA -0.435 60.877 61.300 0.019 0.000 1.310 109 I CB 1.621 39.619 38.000 -0.003 0.000 1.404 109 I HN 0.296 nan 8.210 nan 0.000 0.496 110 A N 6.875 129.741 122.820 0.076 0.000 2.388 110 A HA 0.636 4.955 4.320 -0.002 0.000 0.257 110 A C -0.621 177.064 177.584 0.169 0.000 1.095 110 A CA -0.010 52.068 52.037 0.068 0.000 0.791 110 A CB 0.075 19.073 19.000 -0.005 0.000 1.029 110 A HN 0.623 nan 8.150 nan 0.000 0.489 111 F N 0.083 120.034 119.950 0.002 0.000 2.643 111 F HA 0.628 5.153 4.527 -0.003 0.000 0.314 111 F C -0.721 175.103 175.800 0.040 0.000 1.096 111 F CA -1.657 56.358 58.000 0.025 0.000 0.953 111 F CB 1.253 40.269 39.000 0.027 0.000 1.345 111 F HN 0.335 nan 8.300 nan 0.000 0.468 112 N N 1.845 120.658 118.700 0.188 0.000 2.414 112 N HA 0.481 5.220 4.740 -0.002 0.000 0.256 112 N C -0.347 175.313 175.510 0.251 0.000 1.029 112 N CA -0.202 52.904 53.050 0.094 0.000 0.948 112 N CB 1.622 40.161 38.487 0.087 0.000 1.102 112 N HN 0.988 nan 8.380 nan 0.000 0.496 113 A N 1.670 124.570 122.820 0.134 0.000 2.498 113 A HA 0.482 4.800 4.320 -0.002 0.000 0.239 113 A C 1.108 178.833 177.584 0.235 0.000 1.068 113 A CA 0.200 52.419 52.037 0.303 0.000 0.766 113 A CB -0.020 19.083 19.000 0.171 0.000 1.003 113 A HN 0.618 nan 8.150 nan 0.000 0.497 114 G N -0.132 108.825 108.800 0.262 0.000 2.582 114 G HA2 0.433 4.391 3.960 -0.002 0.000 0.232 114 G HA3 0.433 4.391 3.960 -0.002 0.000 0.232 114 G C 0.408 175.443 174.900 0.223 0.000 1.458 114 G CA -0.082 45.136 45.100 0.196 0.000 1.062 114 G HN 0.642 nan 8.290 nan 0.000 0.566 115 E N -1.215 119.155 120.200 0.284 0.000 2.340 115 E HA 0.067 4.416 4.350 -0.002 0.000 0.198 115 E C -0.030 176.827 176.600 0.428 0.000 0.961 115 E CA 0.020 56.619 56.400 0.332 0.000 0.905 115 E CB 0.267 30.172 29.700 0.341 0.000 0.884 115 E HN 0.374 nan 8.360 nan 0.000 0.491 116 W N 3.279 124.664 121.300 0.141 0.000 2.303 116 W HA 0.274 4.933 4.660 -0.002 0.000 0.334 116 W C -1.858 174.720 176.519 0.098 0.000 1.197 116 W CA -2.625 54.804 57.345 0.141 0.000 1.262 116 W CB -0.446 29.108 29.460 0.157 0.000 1.153 116 W HN -0.184 nan 8.180 nan 0.000 0.596 117 P HA -0.023 nan 4.420 nan 0.000 0.266 117 P C 0.744 178.087 177.300 0.071 0.000 1.195 117 P CA 0.329 63.437 63.100 0.013 0.000 0.768 117 P CB 0.888 32.481 31.700 -0.178 0.000 0.838 118 L N 1.195 122.419 121.223 0.000 0.000 2.141 118 L HA -0.001 4.338 4.340 -0.002 0.000 0.209 118 L C 1.223 178.102 176.870 0.014 0.000 1.094 118 L CA 1.323 56.185 54.840 0.037 0.000 0.763 118 L CB -0.293 41.764 42.059 -0.005 0.000 0.908 118 L HN 0.365 nan 8.230 nan 0.000 0.437 119 L N -0.679 120.493 121.223 -0.085 0.000 2.611 119 L HA 0.364 4.702 4.340 -0.002 0.000 0.260 119 L C -0.700 176.054 176.870 -0.193 0.000 0.924 119 L CA -0.163 54.597 54.840 -0.133 0.000 0.901 119 L CB 2.136 44.117 42.059 -0.129 0.000 1.369 119 L HN -0.029 nan 8.230 nan 0.000 0.415 120 T N 2.601 117.059 114.554 -0.160 0.000 2.876 120 T HA 0.813 5.162 4.350 -0.002 0.000 0.289 120 T C -0.855 173.692 174.700 -0.255 0.000 1.014 120 T CA -0.695 61.289 62.100 -0.193 0.000 0.986 120 T CB 1.488 70.304 68.868 -0.087 0.000 1.021 120 T HN 0.589 nan 8.240 nan 0.000 0.458 121 L N 2.160 123.126 121.223 -0.429 0.000 2.385 121 L HA 0.674 5.013 4.340 -0.002 0.000 0.273 121 L C -0.377 176.190 176.870 -0.505 0.000 0.990 121 L CA -0.793 53.753 54.840 -0.489 0.000 0.821 121 L CB 2.575 44.219 42.059 -0.693 0.000 1.279 121 L HN 0.809 nan 8.230 nan 0.000 0.412 122 T N 1.762 116.148 114.554 -0.281 0.000 2.881 122 T HA 0.441 4.789 4.350 -0.002 0.000 0.290 122 T C -0.416 174.268 174.700 -0.026 0.000 1.000 122 T CA -0.476 61.497 62.100 -0.211 0.000 0.978 122 T CB 2.336 70.882 68.868 -0.538 0.000 0.997 122 T HN 0.142 nan 8.240 nan 0.000 0.443 123 V N 6.522 126.506 119.914 0.118 0.000 2.364 123 V HA 0.342 4.460 4.120 -0.002 0.000 0.272 123 V C -1.873 174.247 176.094 0.044 0.000 1.036 123 V CA -1.852 60.508 62.300 0.100 0.000 0.880 123 V CB 0.829 32.708 31.823 0.093 0.000 0.991 123 V HN 0.686 nan 8.190 nan 0.000 0.460 124 P HA 0.256 nan 4.420 nan 0.000 0.274 124 P C 0.271 177.607 177.300 0.061 0.000 1.246 124 P CA -0.451 62.691 63.100 0.069 0.000 0.795 124 P CB 1.578 33.305 31.700 0.045 0.000 1.006 125 R N -0.091 120.439 120.500 0.050 0.000 2.140 125 R HA 0.039 4.377 4.340 -0.002 0.000 0.213 125 R C 0.133 176.461 176.300 0.047 0.000 1.059 125 R CA 1.005 57.128 56.100 0.038 0.000 1.000 125 R CB 0.361 30.673 30.300 0.021 0.000 0.910 125 R HN 0.550 nan 8.270 nan 0.000 0.455 126 E N -0.533 119.693 120.200 0.044 0.000 2.277 126 E HA 0.296 4.644 4.350 -0.002 0.000 0.266 126 E C -1.546 175.098 176.600 0.075 0.000 0.901 126 E CA -0.582 55.854 56.400 0.060 0.000 0.782 126 E CB 2.409 32.128 29.700 0.032 0.000 1.228 126 E HN 0.020 nan 8.360 nan 0.000 0.424 127 E N 1.271 121.547 120.200 0.125 0.000 2.331 127 E HA 0.467 4.816 4.350 -0.002 0.000 0.275 127 E C -1.463 175.231 176.600 0.156 0.000 0.895 127 E CA -0.554 55.942 56.400 0.159 0.000 0.753 127 E CB 1.230 31.052 29.700 0.203 0.000 1.216 127 E HN 0.336 nan 8.360 nan 0.000 0.434 128 L N 4.839 126.120 121.223 0.096 0.000 2.341 128 L HA 0.584 4.922 4.340 -0.002 0.000 0.278 128 L C -0.565 176.255 176.870 -0.084 0.000 1.005 128 L CA -0.834 53.953 54.840 -0.089 0.000 0.818 128 L CB 1.503 43.414 42.059 -0.246 0.000 1.259 128 L HN 0.490 nan 8.230 nan 0.000 0.418 129 I N 2.679 123.125 120.570 -0.206 0.000 2.406 129 I HA 0.344 4.512 4.170 -0.002 0.000 0.290 129 I C -1.071 174.740 176.117 -0.509 0.000 0.999 129 I CA -0.366 60.813 61.300 -0.201 0.000 1.124 129 I CB 1.756 39.755 38.000 -0.001 0.000 1.289 129 I HN 0.340 nan 8.210 nan 0.000 0.441 130 F N 4.735 124.396 119.950 -0.481 0.000 2.361 130 F HA 0.485 5.011 4.527 -0.003 0.000 0.364 130 F C 0.257 175.491 175.800 -0.942 0.000 1.117 130 F CA -0.548 56.846 58.000 -1.011 0.000 1.071 130 F CB 1.069 39.063 39.000 -1.677 0.000 1.188 130 F HN 0.408 nan 8.300 nan 0.000 0.464 131 E N 1.654 121.652 120.200 -0.337 0.000 2.304 131 E HA 0.506 4.855 4.350 -0.002 0.000 0.277 131 E C -0.528 176.310 176.600 0.397 0.000 0.898 131 E CA -0.801 55.674 56.400 0.125 0.000 0.764 131 E CB 1.553 31.311 29.700 0.096 0.000 1.216 131 E HN 0.574 nan 8.360 nan 0.000 0.419 132 K N 2.235 122.963 120.400 0.547 0.000 4.430 132 K HA -0.156 4.162 4.320 -0.002 0.000 0.283 132 K C 0.782 177.597 176.600 0.358 0.000 0.845 132 K CA 1.705 58.218 56.287 0.376 0.000 0.819 132 K CB -2.757 nan 32.500 nan 0.000 1.735 132 K HN 1.754 nan 8.250 nan 0.000 0.429 133 G N -0.374 108.690 108.800 0.439 0.000 2.180 133 G HA2 -0.280 3.678 3.960 -0.002 0.000 0.263 133 G HA3 -0.280 3.678 3.960 -0.002 0.000 0.263 133 G C -0.000 175.068 174.900 0.281 0.000 0.989 133 G CA 0.580 45.860 45.100 0.300 0.000 0.692 133 G HN 1.456 nan 8.290 nan 0.000 0.526 134 N N -1.265 117.600 118.700 0.274 0.000 2.284 134 N HA 0.587 5.326 4.740 -0.002 0.000 0.289 134 N C -1.000 174.358 175.510 -0.252 0.000 1.179 134 N CA -0.327 52.636 53.050 -0.145 0.000 0.774 134 N CB 2.523 40.685 38.487 -0.542 0.000 1.548 134 N HN 0.263 nan 8.380 nan 0.000 0.473 135 V N 0.519 120.172 119.914 -0.434 0.000 2.581 135 V HA 0.620 4.738 4.120 -0.002 0.000 0.303 135 V C -0.685 175.111 176.094 -0.497 0.000 1.041 135 V CA -0.015 61.915 62.300 -0.618 0.000 0.907 135 V CB 1.639 33.036 31.823 -0.709 0.000 0.994 135 V HN 0.736 nan 8.190 nan 0.000 0.442 136 T N 5.757 120.094 114.554 -0.362 0.000 2.812 136 T HA 0.557 4.905 4.350 -0.002 0.000 0.282 136 T C -0.686 173.877 174.700 -0.227 0.000 0.990 136 T CA -0.340 61.657 62.100 -0.171 0.000 0.960 136 T CB 1.456 70.371 68.868 0.078 0.000 0.948 136 T HN 0.537 nan 8.240 nan 0.000 0.438 137 V N 4.142 123.892 119.914 -0.274 0.000 2.394 137 V HA 0.505 4.623 4.120 -0.002 0.000 0.282 137 V C -1.054 174.872 176.094 -0.281 0.000 1.031 137 V CA -0.810 61.376 62.300 -0.190 0.000 0.881 137 V CB 0.397 32.136 31.823 -0.139 0.000 0.982 137 V HN 0.799 nan 8.190 nan 0.000 0.451 138 Y N 2.367 122.662 120.300 -0.009 0.000 2.485 138 Y HA 0.863 5.412 4.550 -0.002 0.000 0.345 138 Y C 0.323 176.229 175.900 0.011 0.000 0.998 138 Y CA -0.316 57.792 58.100 0.013 0.000 1.059 138 Y CB 2.353 40.832 38.460 0.032 0.000 1.234 138 Y HN 0.865 nan 8.280 nan 0.000 0.461 139 A N 0.252 123.169 122.820 0.162 0.000 2.493 139 A HA 0.643 4.962 4.320 -0.002 0.000 0.300 139 A C -1.120 176.511 177.584 0.079 0.000 1.152 139 A CA -0.214 51.879 52.037 0.093 0.000 0.643 139 A CB -0.201 18.827 19.000 0.047 0.000 1.316 139 A HN 0.782 nan 8.150 nan 0.000 0.469 163 P HA 0.514 nan 4.420 nan 0.000 0.280 163 P C -0.420 176.903 177.300 0.037 0.000 1.244 163 P CA -0.236 62.904 63.100 0.066 0.000 0.784 163 P CB 0.761 32.535 31.700 0.124 0.000 0.913 164 L N 0.587 121.832 121.223 0.038 0.000 2.290 164 L HA 0.740 5.079 4.340 -0.002 0.000 0.284 164 L C 0.278 177.151 176.870 0.006 0.000 1.078 164 L CA -0.950 53.903 54.840 0.022 0.000 0.815 164 L CB 0.525 42.601 42.059 0.028 0.000 1.162 164 L HN 0.259 nan 8.230 nan 0.000 0.435 165 A N 4.244 127.064 122.820 0.000 0.000 2.409 165 A HA 0.623 4.942 4.320 -0.002 0.000 0.262 165 A C -0.109 177.470 177.584 -0.008 0.000 1.113 165 A CA -0.338 51.692 52.037 -0.012 0.000 0.790 165 A CB 0.526 19.520 19.000 -0.010 0.000 1.046 165 A HN 0.641 nan 8.150 nan 0.000 0.496 166 V N 3.196 123.099 119.914 -0.019 0.000 2.531 166 V HA 0.270 4.388 4.120 -0.002 0.000 0.301 166 V C -0.707 175.376 176.094 -0.017 0.000 1.034 166 V CA -0.707 61.586 62.300 -0.011 0.000 0.865 166 V CB 1.912 33.728 31.823 -0.012 0.000 0.995 166 V HN 0.933 nan 8.190 nan 0.000 0.424 167 D N 3.249 123.644 120.400 -0.009 0.000 2.428 167 D HA 0.176 4.815 4.640 -0.002 0.000 0.221 167 D C 1.264 177.556 176.300 -0.013 0.000 1.123 167 D CA -0.044 53.949 54.000 -0.011 0.000 0.869 167 D CB 1.548 42.345 40.800 -0.005 0.000 1.032 167 D HN 0.707 nan 8.370 nan 0.000 0.506 168 T N 0.458 114.999 114.554 -0.021 0.000 3.148 168 T HA 0.213 4.562 4.350 -0.002 0.000 0.253 168 T C 1.427 176.108 174.700 -0.032 0.000 1.134 168 T CA 0.352 62.434 62.100 -0.029 0.000 1.051 168 T CB 0.288 69.134 68.868 -0.037 0.000 0.959 168 T HN 0.234 nan 8.240 nan 0.000 0.525 169 A N 0.644 123.453 122.820 -0.019 0.000 2.044 169 A HA 0.489 4.808 4.320 -0.002 0.000 0.213 169 A C 0.883 178.464 177.584 -0.004 0.000 1.169 169 A CA -0.285 51.746 52.037 -0.011 0.000 0.724 169 A CB -0.323 18.675 19.000 -0.004 0.000 0.840 169 A HN 0.493 nan 8.150 nan 0.000 0.463 170 L N 1.087 122.308 121.223 -0.004 0.000 2.525 170 L HA 0.056 4.394 4.340 -0.002 0.000 0.278 170 L C 0.181 177.055 176.870 0.006 0.000 1.218 170 L CA 0.856 55.698 54.840 0.003 0.000 0.878 170 L CB -0.311 41.750 42.059 0.004 0.000 1.127 170 L HN 0.524 nan 8.230 nan 0.000 0.492 171 N N 2.294 121.004 118.700 0.016 0.000 2.829 171 N HA -0.182 4.557 4.740 -0.002 0.000 0.250 171 N C 1.045 176.585 175.510 0.050 0.000 1.090 171 N CA 0.934 54.001 53.050 0.027 0.000 0.781 171 N CB -1.356 37.143 38.487 0.021 0.000 1.124 171 N HN 0.900 nan 8.380 nan 0.000 0.559 172 G N 0.326 109.156 108.800 0.049 0.000 2.448 172 G HA2 -0.234 3.724 3.960 -0.002 0.000 0.218 172 G HA3 -0.234 3.724 3.960 -0.002 0.000 0.218 172 G C 1.358 176.329 174.900 0.118 0.000 1.135 172 G CA 1.275 46.426 45.100 0.085 0.000 0.784 172 G HN 0.415 nan 8.290 nan 0.000 0.543 173 E N 1.448 121.693 120.200 0.075 0.000 2.077 173 E HA -0.012 4.336 4.350 -0.002 0.000 0.193 173 E C 2.643 179.280 176.600 0.061 0.000 0.989 173 E CA 1.506 57.941 56.400 0.059 0.000 0.800 173 E CB -0.616 29.106 29.700 0.037 0.000 0.746 173 E HN 0.256 nan 8.360 nan 0.000 0.452 174 A N -0.411 122.450 122.820 0.068 0.000 1.933 174 A HA -0.180 4.138 4.320 -0.002 0.000 0.218 174 A C 2.260 179.893 177.584 0.081 0.000 1.175 174 A CA 1.598 53.670 52.037 0.059 0.000 0.628 174 A CB -1.046 17.986 19.000 0.055 0.000 0.814 174 A HN 0.530 nan 8.150 nan 0.000 0.444 175 Y N 0.707 121.007 120.300 0.000 0.000 2.200 175 Y HA -0.146 4.402 4.550 -0.003 0.000 0.290 175 Y C 2.196 178.101 175.900 0.009 0.000 1.137 175 Y CA 2.109 60.210 58.100 0.002 0.000 1.163 175 Y CB -0.188 38.273 38.460 0.001 0.000 0.988 175 Y HN 0.247 nan 8.280 nan 0.000 0.518 176 K N -0.088 120.318 120.400 0.010 0.000 2.097 176 K HA -0.230 4.088 4.320 -0.002 0.000 0.206 176 K C 2.028 178.567 176.600 -0.103 0.000 1.049 176 K CA 1.898 58.145 56.287 -0.066 0.000 0.933 176 K CB -0.188 32.331 32.500 0.031 0.000 0.717 176 K HN 0.529 nan 8.250 nan 0.000 0.442 177 Q N 0.557 120.319 119.800 -0.063 0.000 2.119 177 Q HA -0.171 4.167 4.340 -0.002 0.000 0.201 177 Q C 2.125 178.072 176.000 -0.088 0.000 0.972 177 Q CA 1.229 56.999 55.803 -0.056 0.000 0.847 177 Q CB -0.006 28.717 28.738 -0.024 0.000 0.903 177 Q HN 0.362 nan 8.270 nan 0.000 0.433 178 Q N -0.042 119.678 119.800 -0.134 0.000 2.050 178 Q HA -0.151 4.188 4.340 -0.002 0.000 0.202 178 Q C 2.268 178.149 176.000 -0.200 0.000 0.980 178 Q CA 1.572 57.283 55.803 -0.153 0.000 0.840 178 Q CB -0.061 28.573 28.738 -0.173 0.000 0.898 178 Q HN 0.221 nan 8.270 nan 0.000 0.424 179 V N 0.996 120.703 119.914 -0.345 0.000 2.295 179 V HA -0.302 3.816 4.120 -0.002 0.000 0.246 179 V C 2.288 178.310 176.094 -0.121 0.000 1.049 179 V CA 1.851 63.994 62.300 -0.262 0.000 1.024 179 V CB -1.067 30.558 31.823 -0.329 0.000 0.648 179 V HN 0.416 nan 8.190 nan 0.000 0.447 180 A N 0.083 122.842 122.820 -0.101 0.000 1.908 180 A HA -0.289 4.030 4.320 -0.002 0.000 0.218 180 A C 2.419 179.979 177.584 -0.041 0.000 1.181 180 A CA 2.224 54.227 52.037 -0.056 0.000 0.627 180 A CB -0.613 18.361 19.000 -0.044 0.000 0.818 180 A HN 0.516 nan 8.150 nan 0.000 0.445 181 R N -0.379 120.097 120.500 -0.040 0.000 2.073 181 R HA -0.113 4.225 4.340 -0.002 0.000 0.234 181 R C 2.289 178.590 176.300 0.002 0.000 1.134 181 R CA 1.561 57.651 56.100 -0.017 0.000 0.952 181 R CB -0.443 29.852 30.300 -0.010 0.000 0.850 181 R HN 0.428 nan 8.270 nan 0.000 0.433 182 A N 0.341 123.170 122.820 0.015 0.000 1.902 182 A HA -0.097 4.221 4.320 -0.002 0.000 0.217 182 A C 2.290 179.876 177.584 0.003 0.000 1.181 182 A CA 1.574 53.659 52.037 0.080 0.000 0.623 182 A CB -0.584 18.480 19.000 0.107 0.000 0.818 182 A HN 0.237 nan 8.150 nan 0.000 0.443 183 V N -0.037 119.865 119.914 -0.021 0.000 2.287 183 V HA -0.295 3.823 4.120 -0.002 0.000 0.248 183 V C 3.082 179.134 176.094 -0.070 0.000 1.053 183 V CA 2.044 64.319 62.300 -0.042 0.000 1.027 183 V CB -1.302 30.503 31.823 -0.031 0.000 0.646 183 V HN 0.633 nan 8.190 nan 0.000 0.447 184 A N -0.419 122.367 122.820 -0.058 0.000 1.892 184 A HA -0.297 4.021 4.320 -0.002 0.000 0.218 184 A C 2.172 179.695 177.584 -0.101 0.000 1.188 184 A CA 2.227 54.227 52.037 -0.063 0.000 0.631 184 A CB -0.528 18.448 19.000 -0.040 0.000 0.822 184 A HN 0.656 nan 8.150 nan 0.000 0.447 185 E N -0.550 119.571 120.200 -0.131 0.000 2.072 185 E HA -0.120 4.229 4.350 -0.002 0.000 0.191 185 E C 1.912 178.249 176.600 -0.437 0.000 0.985 185 E CA 1.136 57.395 56.400 -0.233 0.000 0.801 185 E CB -0.284 29.312 29.700 -0.173 0.000 0.750 185 E HN 0.702 nan 8.360 nan 0.000 0.452 186 I N 0.888 121.168 120.570 -0.482 0.000 2.208 186 I HA -0.286 3.882 4.170 -0.002 0.000 0.245 186 I C 2.382 178.367 176.117 -0.221 0.000 1.097 186 I CA 1.266 62.315 61.300 -0.419 0.000 1.363 186 I CB -0.163 37.692 38.000 -0.242 0.000 1.051 186 I HN -0.001 nan 8.210 nan 0.000 0.413 187 R N 0.146 120.555 120.500 -0.151 0.000 2.189 187 R HA -0.000 4.338 4.340 -0.002 0.000 0.218 187 R C 2.125 178.372 176.300 -0.090 0.000 1.074 187 R CA 0.530 56.573 56.100 -0.095 0.000 0.991 187 R CB -0.131 30.130 30.300 -0.066 0.000 0.883 187 R HN 0.325 nan 8.270 nan 0.000 0.457 188 R N -0.204 120.230 120.500 -0.111 0.000 2.307 188 R HA 0.022 4.361 4.340 -0.002 0.000 0.199 188 R C 0.817 177.062 176.300 -0.091 0.000 1.000 188 R CA 0.754 56.801 56.100 -0.088 0.000 1.023 188 R CB 0.366 30.616 30.300 -0.084 0.000 0.908 188 R HN 0.401 nan 8.270 nan 0.000 0.473 189 G N 1.227 109.952 108.800 -0.125 0.000 2.132 189 G HA2 -0.272 3.687 3.960 -0.002 0.000 0.234 189 G HA3 -0.272 3.687 3.960 -0.002 0.000 0.234 189 G C 0.510 175.348 174.900 -0.103 0.000 0.989 189 G CA 0.320 45.360 45.100 -0.101 0.000 0.676 189 G HN 0.411 nan 8.290 nan 0.000 0.522 190 E N -1.364 118.726 120.200 -0.184 0.000 2.150 190 E HA 0.136 4.485 4.350 -0.002 0.000 0.193 190 E C 0.872 177.490 176.600 0.031 0.000 0.985 190 E CA 1.557 57.893 56.400 -0.107 0.000 0.814 190 E CB -0.023 29.596 29.700 -0.135 0.000 0.752 190 E HN 1.000 nan 8.360 nan 0.000 0.466 191 Y N -6.114 114.186 120.300 -0.001 0.000 2.814 191 Y HA 0.231 4.776 4.550 -0.008 0.000 0.348 191 Y C 0.256 176.155 175.900 -0.002 0.000 1.245 191 Y CA -0.939 57.160 58.100 -0.001 0.000 1.086 191 Y CB 0.491 38.952 38.460 0.002 0.000 1.373 191 Y HN -0.350 nan 8.280 nan 0.000 0.451 192 V N -0.024 120.011 119.914 0.202 0.000 2.922 192 V HA 0.275 4.394 4.120 -0.002 0.000 0.242 192 V C 0.124 176.301 176.094 0.138 0.000 1.094 192 V CA 1.257 63.613 62.300 0.094 0.000 1.106 192 V CB 0.423 32.282 31.823 0.061 0.000 0.799 192 V HN 0.676 nan 8.190 nan 0.000 0.474 193 K N -0.102 120.435 120.400 0.228 0.000 2.523 193 K HA 0.642 4.960 4.320 -0.002 0.000 0.257 193 K C -2.221 174.479 176.600 0.167 0.000 0.932 193 K CA -0.360 56.027 56.287 0.167 0.000 0.812 193 K CB 3.051 35.597 32.500 0.077 0.000 1.326 193 K HN -0.104 nan 8.250 nan 0.000 0.433 194 V N 4.729 124.726 119.914 0.138 0.000 2.932 194 V HA 0.496 4.614 4.120 -0.002 0.000 0.307 194 V C -1.624 174.499 176.094 0.048 0.000 1.147 194 V CA -0.900 61.421 62.300 0.035 0.000 0.951 194 V CB 1.907 33.697 31.823 -0.054 0.000 1.031 194 V HN 0.732 nan 8.190 nan 0.000 0.426 195 I N 6.252 126.838 120.570 0.025 0.000 2.312 195 I HA 0.387 4.555 4.170 -0.002 0.000 0.291 195 I C 0.055 176.211 176.117 0.065 0.000 1.031 195 I CA 0.119 61.452 61.300 0.055 0.000 1.293 195 I CB 1.381 39.405 38.000 0.040 0.000 1.403 195 I HN 0.350 nan 8.210 nan 0.000 0.484 196 V N 6.370 126.345 119.914 0.102 0.000 2.394 196 V HA 0.609 4.728 4.120 -0.002 0.000 0.282 196 V C 0.294 176.548 176.094 0.267 0.000 1.031 196 V CA -0.455 61.915 62.300 0.118 0.000 0.881 196 V CB 1.220 33.048 31.823 0.009 0.000 0.982 196 V HN 0.847 nan 8.190 nan 0.000 0.451 197 S N 5.456 121.275 115.700 0.199 0.000 2.638 197 S HA 0.873 5.341 4.470 -0.002 0.000 0.302 197 S C -0.650 173.989 174.600 0.064 0.000 1.096 197 S CA -1.107 57.163 58.200 0.117 0.000 0.953 197 S CB 2.285 65.474 63.200 -0.018 0.000 1.107 197 S HN 0.855 nan 8.310 nan 0.000 0.503 198 R N 0.212 120.640 120.500 -0.119 0.000 2.628 198 R HA 0.789 5.128 4.340 -0.002 0.000 0.288 198 R C -0.960 175.253 176.300 -0.144 0.000 0.980 198 R CA -0.986 55.039 56.100 -0.125 0.000 0.891 198 R CB 1.626 31.784 30.300 -0.237 0.000 1.188 198 R HN 0.735 nan 8.270 nan 0.000 0.450 199 A N 4.487 127.256 122.820 -0.086 0.000 2.301 199 A HA 0.524 4.843 4.320 -0.002 0.000 0.312 199 A C -0.173 177.428 177.584 0.028 0.000 1.182 199 A CA -0.888 51.153 52.037 0.007 0.000 0.826 199 A CB 0.591 19.533 19.000 -0.096 0.000 1.134 199 A HN 0.657 nan 8.150 nan 0.000 0.501 200 I N 3.632 124.269 120.570 0.112 0.000 2.371 200 I HA 0.274 4.442 4.170 -0.002 0.000 0.282 200 I C -2.569 173.640 176.117 0.153 0.000 1.031 200 I CA -2.510 58.840 61.300 0.085 0.000 1.180 200 I CB 0.738 38.769 38.000 0.051 0.000 1.336 200 I HN 0.292 nan 8.210 nan 0.000 0.467 201 P HA 0.186 nan 4.420 nan 0.000 0.268 201 P C -0.326 177.049 177.300 0.124 0.000 1.204 201 P CA 0.015 63.198 63.100 0.139 0.000 0.768 201 P CB 0.643 32.382 31.700 0.065 0.000 0.842 202 L N 6.326 127.640 121.223 0.152 0.000 2.334 202 L HA 0.283 4.622 4.340 -0.002 0.000 0.277 202 L C -1.065 175.857 176.870 0.087 0.000 1.075 202 L CA -1.821 53.083 54.840 0.107 0.000 0.804 202 L CB 0.805 42.930 42.059 0.110 0.000 1.174 202 L HN 0.295 nan 8.230 nan 0.000 0.438 203 P HA -0.114 nan 4.420 nan 0.000 0.218 203 P C 0.092 177.425 177.300 0.055 0.000 1.148 203 P CA 0.902 64.033 63.100 0.051 0.000 0.822 203 P CB 0.223 31.945 31.700 0.037 0.000 0.784 204 S N -2.826 112.911 115.700 0.061 0.000 2.651 204 S HA 0.492 4.960 4.470 -0.002 0.000 0.279 204 S C -0.523 174.122 174.600 0.075 0.000 1.148 204 S CA -1.136 57.101 58.200 0.062 0.000 0.837 204 S CB 1.668 64.896 63.200 0.047 0.000 1.138 204 S HN -0.213 nan 8.310 nan 0.000 0.478 205 R N 0.528 121.073 120.500 0.075 0.000 2.679 205 R HA 0.409 4.747 4.340 -0.002 0.000 0.268 205 R C 0.132 176.469 176.300 0.063 0.000 1.044 205 R CA 0.065 56.213 56.100 0.080 0.000 1.105 205 R CB -0.016 30.329 30.300 0.075 0.000 0.989 205 R HN 0.718 nan 8.270 nan 0.000 0.447 206 I N -1.728 118.879 120.570 0.061 0.000 2.577 206 I HA 0.265 4.434 4.170 -0.002 0.000 0.305 206 I C -0.104 176.039 176.117 0.043 0.000 0.986 206 I CA -0.686 60.643 61.300 0.050 0.000 1.189 206 I CB 1.614 39.641 38.000 0.044 0.000 1.355 206 I HN 0.366 nan 8.210 nan 0.000 0.476 207 D N 6.006 126.431 120.400 0.041 0.000 2.402 207 D HA 0.094 4.732 4.640 -0.002 0.000 0.235 207 D C 0.998 177.320 176.300 0.038 0.000 1.226 207 D CA -0.250 53.771 54.000 0.035 0.000 0.918 207 D CB 0.914 41.733 40.800 0.031 0.000 1.043 207 D HN 0.572 nan 8.370 nan 0.000 0.506 208 M N 4.486 124.104 119.600 0.030 0.000 2.065 208 M HA -0.116 4.363 4.480 -0.002 0.000 0.259 208 M C -0.770 175.548 176.300 0.029 0.000 1.069 208 M CA 1.555 56.869 55.300 0.023 0.000 1.110 208 M CB -2.272 30.340 32.600 0.020 0.000 1.328 208 M HN 0.310 nan 8.290 nan 0.000 0.405 209 P HA -0.043 nan 4.420 nan 0.000 0.218 209 P C 1.193 178.512 177.300 0.031 0.000 1.149 209 P CA 1.834 64.947 63.100 0.021 0.000 0.817 209 P CB -0.211 31.492 31.700 0.006 0.000 0.785 210 A N -1.166 121.678 122.820 0.039 0.000 1.968 210 A HA -0.092 4.226 4.320 -0.002 0.000 0.217 210 A C 2.163 179.820 177.584 0.122 0.000 1.169 210 A CA 1.865 53.935 52.037 0.055 0.000 0.638 210 A CB -1.688 17.333 19.000 0.035 0.000 0.812 210 A HN 0.129 nan 8.150 nan 0.000 0.446 211 T N 0.088 114.717 114.554 0.125 0.000 2.857 211 T HA -0.068 4.281 4.350 -0.002 0.000 0.266 211 T C 1.812 176.644 174.700 0.220 0.000 1.048 211 T CA 1.274 63.484 62.100 0.183 0.000 1.139 211 T CB -0.290 68.651 68.868 0.122 0.000 0.874 211 T HN 0.310 nan 8.240 nan 0.000 0.455 212 L N 1.139 122.457 121.223 0.158 0.000 1.989 212 L HA -0.012 4.327 4.340 -0.002 0.000 0.211 212 L C 2.150 179.146 176.870 0.211 0.000 1.071 212 L CA 1.663 56.627 54.840 0.206 0.000 0.749 212 L CB -0.861 41.262 42.059 0.105 0.000 0.890 212 L HN 0.208 nan 8.230 nan 0.000 0.431 213 L N -1.881 119.408 121.223 0.111 0.000 1.971 213 L HA -0.295 4.043 4.340 -0.002 0.000 0.215 213 L C 2.502 179.435 176.870 0.105 0.000 1.072 213 L CA 1.897 56.776 54.840 0.064 0.000 0.758 213 L CB -0.854 41.224 42.059 0.031 0.000 0.889 213 L HN 0.355 nan 8.230 nan 0.000 0.433 214 Y N 0.562 120.858 120.300 -0.007 0.000 2.145 214 Y HA -0.157 4.392 4.550 -0.002 0.000 0.286 214 Y C 2.263 178.046 175.900 -0.195 0.000 1.145 214 Y CA 1.325 59.408 58.100 -0.028 0.000 1.148 214 Y CB -0.967 37.541 38.460 0.080 0.000 0.981 214 Y HN 0.112 nan 8.280 nan 0.000 0.507 215 G N -0.516 108.191 108.800 -0.155 0.000 2.408 215 G HA2 -0.274 3.685 3.960 -0.002 0.000 0.217 215 G HA3 -0.274 3.685 3.960 -0.002 0.000 0.217 215 G C 1.791 176.045 174.900 -1.075 0.000 1.150 215 G CA 0.835 45.563 45.100 -0.620 0.000 0.776 215 G HN 0.262 nan 8.290 nan 0.000 0.542 216 R N 0.720 120.871 120.500 -0.581 0.000 2.091 216 R HA -0.094 4.245 4.340 -0.002 0.000 0.238 216 R C 2.515 178.574 176.300 -0.401 0.000 1.136 216 R CA 1.847 57.670 56.100 -0.462 0.000 0.959 216 R CB -0.778 29.586 30.300 0.107 0.000 0.856 216 R HN 0.450 nan 8.270 nan 0.000 0.437 217 Q N -0.060 119.552 119.800 -0.315 0.000 2.234 217 Q HA -0.083 4.255 4.340 -0.002 0.000 0.206 217 Q C 1.043 176.835 176.000 -0.346 0.000 0.980 217 Q CA 1.980 57.636 55.803 -0.245 0.000 0.869 217 Q CB -0.127 28.527 28.738 -0.140 0.000 0.912 217 Q HN 0.386 nan 8.270 nan 0.000 0.436 218 A N 0.335 122.793 122.820 -0.604 0.000 2.275 218 A HA 0.178 4.496 4.320 -0.002 0.000 0.212 218 A C 0.366 177.657 177.584 -0.488 0.000 1.201 218 A CA -0.300 51.356 52.037 -0.634 0.000 0.843 218 A CB 0.125 18.373 19.000 -1.254 0.000 0.873 218 A HN 0.277 nan 8.150 nan 0.000 0.492 219 N N -0.481 117.931 118.700 -0.479 0.000 2.380 219 N HA 0.433 5.171 4.740 -0.002 0.000 0.290 219 N C -1.075 174.314 175.510 -0.202 0.000 1.236 219 N CA 0.196 53.035 53.050 -0.352 0.000 0.780 219 N CB 1.970 40.140 38.487 -0.528 0.000 1.438 219 N HN 0.109 nan 8.380 nan 0.000 0.491 220 T N -1.696 112.795 114.554 -0.105 0.000 3.418 220 T HA 0.368 4.717 4.350 -0.002 0.000 0.315 220 T C -2.769 171.930 174.700 -0.001 0.000 1.447 220 T CA -1.314 60.758 62.100 -0.046 0.000 1.641 220 T CB 0.836 69.685 68.868 -0.032 0.000 0.904 220 T HN 0.223 nan 8.240 nan 0.000 0.640 221 P HA 0.290 nan 4.420 nan 0.000 0.278 221 P C 1.497 178.812 177.300 0.024 0.000 1.258 221 P CA -0.648 62.489 63.100 0.061 0.000 0.811 221 P CB 1.537 33.319 31.700 0.137 0.000 1.063 222 V N -1.809 118.120 119.914 0.024 0.000 2.719 222 V HA 0.120 4.238 4.120 -0.002 0.000 0.252 222 V C 0.732 176.791 176.094 -0.058 0.000 1.065 222 V CA 1.105 63.403 62.300 -0.002 0.000 1.086 222 V CB -0.857 30.975 31.823 0.016 0.000 0.700 222 V HN 0.393 nan 8.190 nan 0.000 0.467 223 R N -0.187 120.266 120.500 -0.079 0.000 2.707 223 R HA 0.700 5.039 4.340 -0.002 0.000 0.272 223 R C -1.208 174.992 176.300 -0.167 0.000 1.011 223 R CA -0.208 55.747 56.100 -0.241 0.000 0.893 223 R CB 1.997 32.093 30.300 -0.340 0.000 1.233 223 R HN 0.394 nan 8.270 nan 0.000 0.464 224 S N 1.211 116.728 115.700 -0.304 0.000 2.600 224 S HA 0.855 5.323 4.470 -0.002 0.000 0.300 224 S C -0.957 173.601 174.600 -0.071 0.000 1.087 224 S CA -0.735 57.374 58.200 -0.152 0.000 0.965 224 S CB 1.418 64.594 63.200 -0.039 0.000 1.089 224 S HN 0.482 nan 8.310 nan 0.000 0.496 225 F N -0.491 119.389 119.950 -0.117 0.000 2.668 225 F HA 0.840 5.366 4.527 -0.002 0.000 0.309 225 F C -1.204 174.653 175.800 0.095 0.000 1.117 225 F CA -1.134 56.915 58.000 0.083 0.000 0.951 225 F CB 1.650 40.631 39.000 -0.032 0.000 1.323 225 F HN 0.492 nan 8.300 nan 0.000 0.451 226 M N 3.595 123.468 119.600 0.455 0.000 2.255 226 M HA 0.523 5.002 4.480 -0.002 0.000 0.275 226 M C -2.711 174.082 176.300 0.821 0.000 1.050 226 M CA -0.161 55.347 55.300 0.346 0.000 0.978 226 M CB 1.903 34.608 32.600 0.174 0.000 1.761 226 M HN 0.765 nan 8.290 nan 0.000 0.479 227 F N 3.113 123.254 119.950 0.319 0.000 2.551 227 F HA 0.668 5.193 4.527 -0.002 0.000 0.316 227 F C -0.086 175.800 175.800 0.143 0.000 1.089 227 F CA -0.898 57.268 58.000 0.277 0.000 0.915 227 F CB 1.847 41.081 39.000 0.389 0.000 1.186 227 F HN 0.597 nan 8.300 nan 0.000 0.456 228 R N 2.604 123.193 120.500 0.149 0.000 2.502 228 R HA 0.537 4.876 4.340 -0.002 0.000 0.300 228 R C -1.631 174.666 176.300 -0.006 0.000 0.984 228 R CA -0.436 55.693 56.100 0.047 0.000 0.882 228 R CB 1.718 32.000 30.300 -0.029 0.000 1.180 228 R HN 0.848 nan 8.270 nan 0.000 0.444 229 Q N 3.576 123.394 119.800 0.030 0.000 2.364 229 Q HA 0.111 4.450 4.340 -0.002 0.000 0.257 229 Q C -1.227 174.755 176.000 -0.030 0.000 0.956 229 Q CA -0.313 55.513 55.803 0.039 0.000 0.924 229 Q CB 1.479 30.318 28.738 0.168 0.000 1.413 229 Q HN 0.837 nan 8.270 nan 0.000 0.418 230 E N 2.285 122.459 120.200 -0.042 0.000 2.360 230 E HA -0.293 4.056 4.350 -0.002 0.000 0.238 230 E C 0.435 176.984 176.600 -0.086 0.000 1.186 230 E CA 0.880 57.239 56.400 -0.068 0.000 0.719 230 E CB -1.501 28.155 29.700 -0.074 0.000 1.236 230 E HN 1.137 nan 8.360 nan 0.000 0.386 231 G N -0.127 108.632 108.800 -0.068 0.000 2.148 231 G HA2 -0.371 3.588 3.960 -0.002 0.000 0.254 231 G HA3 -0.371 3.588 3.960 -0.002 0.000 0.254 231 G C 0.120 174.973 174.900 -0.077 0.000 0.981 231 G CA 0.649 45.717 45.100 -0.053 0.000 0.670 231 G HN 0.304 nan 8.290 nan 0.000 0.528 232 R N -0.151 120.260 120.500 -0.149 0.000 2.740 232 R HA 0.699 5.038 4.340 -0.002 0.000 0.282 232 R C -0.617 175.633 176.300 -0.084 0.000 0.969 232 R CA -0.725 55.220 56.100 -0.259 0.000 0.918 232 R CB 1.774 31.572 30.300 -0.838 0.000 1.175 232 R HN 0.340 nan 8.270 nan 0.000 0.464 233 E N 0.556 120.808 120.200 0.086 0.000 2.314 233 E HA 0.655 5.004 4.350 -0.002 0.000 0.272 233 E C -1.548 175.269 176.600 0.362 0.000 0.884 233 E CA -0.857 55.659 56.400 0.194 0.000 0.753 233 E CB 2.581 32.360 29.700 0.132 0.000 1.213 233 E HN 0.636 nan 8.360 nan 0.000 0.432 234 A N 2.673 125.707 122.820 0.356 0.000 2.549 234 A HA 0.812 5.130 4.320 -0.002 0.000 0.297 234 A C -1.774 175.855 177.584 0.074 0.000 1.061 234 A CA -0.596 51.622 52.037 0.302 0.000 0.690 234 A CB 1.339 20.742 19.000 0.673 0.000 1.287 234 A HN 0.524 nan 8.150 nan 0.000 0.402 235 L N 1.240 122.243 121.223 -0.367 0.000 2.472 235 L HA 0.896 5.234 4.340 -0.002 0.000 0.260 235 L C -0.244 175.876 176.870 -1.251 0.000 0.963 235 L CA 0.128 54.478 54.840 -0.817 0.000 0.829 235 L CB 2.283 44.064 42.059 -0.464 0.000 1.348 235 L HN 1.469 nan 8.230 nan 0.000 0.408 236 G N 1.985 109.647 108.800 -1.896 0.000 2.506 236 G HA2 0.485 4.444 3.960 -0.002 0.000 0.292 236 G HA3 0.485 4.444 3.960 -0.002 0.000 0.292 236 G C -2.144 171.950 174.900 -1.344 0.000 1.425 236 G CA -0.545 43.685 45.100 -1.449 0.000 0.788 236 G HN 0.311 nan 8.290 nan 0.000 0.490 237 F N 1.412 121.270 119.950 -0.153 0.000 2.451 237 F HA 0.539 5.065 4.527 -0.003 0.000 0.367 237 F C 0.818 176.630 175.800 0.019 0.000 1.100 237 F CA -0.966 56.995 58.000 -0.065 0.000 1.171 237 F CB 1.776 40.734 39.000 -0.070 0.000 1.405 237 F HN 0.337 nan 8.300 nan 0.000 0.482 238 S N 4.529 120.321 115.700 0.153 0.000 2.515 238 S HA 0.132 4.601 4.470 -0.002 0.000 0.285 238 S C -1.180 173.482 174.600 0.102 0.000 1.265 238 S CA -0.962 57.320 58.200 0.138 0.000 1.079 238 S CB 0.699 63.976 63.200 0.129 0.000 0.877 238 S HN 0.361 nan 8.310 nan 0.000 0.493 239 P HA 0.094 nan 4.420 nan 0.000 0.245 239 P C -0.201 177.124 177.300 0.043 0.000 1.206 239 P CA 0.498 63.643 63.100 0.075 0.000 0.781 239 P CB -0.060 31.682 31.700 0.069 0.000 0.994 240 E N -1.198 119.019 120.200 0.027 0.000 2.401 240 E HA 0.331 4.679 4.350 -0.002 0.000 0.280 240 E C -1.344 175.272 176.600 0.027 0.000 1.039 240 E CA -1.010 55.402 56.400 0.019 0.000 0.814 240 E CB 0.545 30.241 29.700 -0.007 0.000 1.275 240 E HN -0.172 nan 8.360 nan 0.000 0.448 241 L N 2.168 123.410 121.223 0.032 0.000 2.349 241 L HA 0.194 4.532 4.340 -0.002 0.000 0.275 241 L C 1.300 178.193 176.870 0.037 0.000 1.115 241 L CA -0.543 54.326 54.840 0.049 0.000 0.820 241 L CB 1.409 43.498 42.059 0.051 0.000 1.135 241 L HN 0.555 nan 8.230 nan 0.000 0.445 242 V N 2.921 122.876 119.914 0.067 0.000 2.379 242 V HA -0.058 4.060 4.120 -0.002 0.000 0.245 242 V C 0.558 176.681 176.094 0.049 0.000 1.044 242 V CA 1.478 63.813 62.300 0.058 0.000 1.036 242 V CB -0.140 31.775 31.823 0.153 0.000 0.664 242 V HN 0.799 nan 8.190 nan 0.000 0.453 243 M N -1.187 118.462 119.600 0.081 0.000 2.490 243 M HA 0.449 4.928 4.480 -0.002 0.000 0.286 243 M C -1.719 174.602 176.300 0.035 0.000 1.185 243 M CA -0.093 55.224 55.300 0.029 0.000 0.912 243 M CB 2.231 34.831 32.600 0.001 0.000 1.744 243 M HN 0.008 nan 8.290 nan 0.000 0.494 244 S N 2.484 118.182 115.700 -0.004 0.000 2.571 244 S HA 0.830 5.298 4.470 -0.002 0.000 0.284 244 S C -1.850 172.726 174.600 -0.039 0.000 1.128 244 S CA -0.499 57.706 58.200 0.008 0.000 0.970 244 S CB 1.858 65.077 63.200 0.032 0.000 1.039 244 S HN 0.533 nan 8.310 nan 0.000 0.485 245 V N 4.268 124.155 119.914 -0.046 0.000 2.444 245 V HA 0.597 4.716 4.120 -0.002 0.000 0.294 245 V C -0.446 175.640 176.094 -0.014 0.000 1.022 245 V CA -0.475 61.786 62.300 -0.065 0.000 0.850 245 V CB 1.841 33.573 31.823 -0.152 0.000 0.992 245 V HN 0.938 nan 8.190 nan 0.000 0.426 246 T N 3.853 118.399 114.554 -0.012 0.000 2.847 246 T HA 0.631 4.979 4.350 -0.002 0.000 0.291 246 T C 0.767 175.466 174.700 -0.003 0.000 0.998 246 T CA 0.370 62.471 62.100 0.000 0.000 0.967 246 T CB 1.291 70.164 68.868 0.008 0.000 0.954 246 T HN 1.310 nan 8.240 nan 0.000 0.441 247 G N 4.552 113.352 108.800 -0.000 0.000 2.646 247 G HA2 -0.390 3.569 3.960 -0.002 0.000 0.324 247 G HA3 -0.390 3.569 3.960 -0.002 0.000 0.324 247 G C 0.860 175.756 174.900 -0.007 0.000 1.195 247 G CA 1.008 46.108 45.100 -0.000 0.000 0.976 247 G HN 0.681 nan 8.290 nan 0.000 0.546 248 N N 0.676 119.371 118.700 -0.007 0.000 2.205 248 N HA 0.168 4.906 4.740 -0.002 0.000 0.201 248 N C 0.474 175.974 175.510 -0.018 0.000 1.128 248 N CA 0.755 53.798 53.050 -0.012 0.000 0.867 248 N CB 0.198 38.681 38.487 -0.006 0.000 0.996 248 N HN 0.548 nan 8.380 nan 0.000 0.503 249 K N 0.797 121.187 120.400 -0.017 0.000 2.248 249 K HA 0.279 4.598 4.320 -0.002 0.000 0.281 249 K C -1.155 175.426 176.600 -0.031 0.000 1.054 249 K CA -0.414 55.862 56.287 -0.018 0.000 0.903 249 K CB 1.101 33.596 32.500 -0.009 0.000 1.077 249 K HN -0.161 nan 8.250 nan 0.000 0.474 250 V N 5.486 125.377 119.914 -0.038 0.000 2.483 250 V HA 0.535 4.654 4.120 -0.002 0.000 0.295 250 V C -1.095 174.978 176.094 -0.036 0.000 1.035 250 V CA -0.500 61.768 62.300 -0.054 0.000 0.896 250 V CB 1.734 33.513 31.823 -0.073 0.000 0.986 250 V HN 0.578 nan 8.190 nan 0.000 0.447 251 V N 5.145 125.039 119.914 -0.033 0.000 2.789 251 V HA 0.692 4.811 4.120 -0.002 0.000 0.311 251 V C -0.104 175.979 176.094 -0.020 0.000 1.073 251 V CA -0.313 61.976 62.300 -0.018 0.000 0.921 251 V CB 2.273 34.093 31.823 -0.004 0.000 1.009 251 V HN 1.006 nan 8.190 nan 0.000 0.426 252 T N 2.002 116.546 114.554 -0.017 0.000 2.906 252 T HA 0.542 4.890 4.350 -0.002 0.000 0.295 252 T C -1.088 173.607 174.700 -0.009 0.000 1.075 252 T CA -0.411 61.679 62.100 -0.016 0.000 1.005 252 T CB 1.890 70.738 68.868 -0.032 0.000 1.136 252 T HN 0.848 nan 8.240 nan 0.000 0.498 253 E N 3.073 123.269 120.200 -0.006 0.000 3.374 253 E HA 0.313 4.662 4.350 -0.002 0.000 0.223 253 E C -2.564 174.034 176.600 -0.003 0.000 1.210 253 E CA -2.176 54.228 56.400 0.006 0.000 0.987 253 E CB 0.934 30.645 29.700 0.019 0.000 1.322 253 E HN 0.347 nan 8.360 nan 0.000 0.404 254 P HA 0.063 nan 4.420 nan 0.000 0.271 254 P C -0.770 176.536 177.300 0.010 0.000 1.233 254 P CA -0.167 62.900 63.100 -0.054 0.000 0.764 254 P CB 0.647 32.270 31.700 -0.128 0.000 0.825 255 L N 3.873 125.098 121.223 0.003 0.000 2.322 255 L HA 0.767 5.106 4.340 -0.002 0.000 0.281 255 L C 0.234 177.120 176.870 0.027 0.000 1.014 255 L CA -0.133 54.743 54.840 0.059 0.000 0.815 255 L CB 1.508 43.543 42.059 -0.040 0.000 1.247 255 L HN 0.499 nan 8.230 nan 0.000 0.421 256 A N 2.332 125.265 122.820 0.188 0.000 2.547 256 A HA 0.763 5.081 4.320 -0.002 0.000 0.298 256 A C -0.361 177.371 177.584 0.248 0.000 1.062 256 A CA -0.037 52.091 52.037 0.150 0.000 0.748 256 A CB 1.296 20.336 19.000 0.066 0.000 1.288 256 A HN 1.288 nan 8.150 nan 0.000 0.396 257 G N 1.085 109.992 108.800 0.178 0.000 3.434 257 G HA2 0.480 4.438 3.960 -0.002 0.000 0.686 257 G HA3 0.480 4.438 3.960 -0.002 0.000 0.686 257 G C -0.664 174.348 174.900 0.187 0.000 1.099 257 G CA -0.147 45.044 45.100 0.151 0.000 0.931 257 G HN 1.507 nan 8.290 nan 0.000 0.520 258 T N 3.417 118.065 114.554 0.155 0.000 2.912 258 T HA 0.848 5.196 4.350 -0.002 0.000 0.299 258 T C -0.129 174.591 174.700 0.033 0.000 1.052 258 T CA -0.873 61.310 62.100 0.139 0.000 0.996 258 T CB 2.016 71.023 68.868 0.232 0.000 1.070 258 T HN 0.668 nan 8.240 nan 0.000 0.465 259 R N 1.551 122.027 120.500 -0.040 0.000 2.867 259 R HA 0.451 4.790 4.340 -0.002 0.000 0.268 259 R C -0.909 175.359 176.300 -0.052 0.000 1.014 259 R CA -1.018 55.063 56.100 -0.031 0.000 0.946 259 R CB 1.436 31.709 30.300 -0.044 0.000 1.208 259 R HN 0.944 nan 8.270 nan 0.000 0.477 260 D N -0.717 119.681 120.400 -0.002 0.000 2.368 260 D HA 0.097 4.736 4.640 -0.002 0.000 0.240 260 D C 0.040 176.355 176.300 0.025 0.000 1.169 260 D CA -0.324 53.691 54.000 0.025 0.000 0.906 260 D CB 0.699 41.556 40.800 0.094 0.000 1.187 260 D HN 0.480 nan 8.370 nan 0.000 0.435 261 R N 1.235 121.751 120.500 0.027 0.000 2.834 261 R HA 0.296 4.635 4.340 -0.002 0.000 0.362 261 R C -0.255 176.089 176.300 0.074 0.000 1.147 261 R CA -0.558 55.573 56.100 0.052 0.000 1.125 261 R CB -0.130 30.166 30.300 -0.006 0.000 1.361 261 R HN 0.433 nan 8.270 nan 0.000 0.598 262 M N 0.611 120.270 119.600 0.097 0.000 2.560 262 M HA 0.315 4.794 4.480 -0.002 0.000 0.297 262 M C 0.323 176.571 176.300 -0.087 0.000 1.201 262 M CA -0.269 55.038 55.300 0.012 0.000 0.973 262 M CB 1.614 34.214 32.600 -0.000 0.000 1.401 262 M HN 0.540 nan 8.290 nan 0.000 0.497 263 G N 0.334 109.096 108.800 -0.064 0.000 3.209 263 G HA2 0.427 4.386 3.960 -0.002 0.000 0.236 263 G HA3 0.427 4.386 3.960 -0.002 0.000 0.236 263 G C -0.781 174.094 174.900 -0.041 0.000 1.329 263 G CA -0.746 44.179 45.100 -0.291 0.000 1.015 263 G HN 0.412 nan 8.290 nan 0.000 0.571 264 N N -0.195 118.497 118.700 -0.014 0.000 2.399 264 N HA 0.269 5.008 4.740 -0.002 0.000 0.250 264 N C -2.055 173.502 175.510 0.079 0.000 1.272 264 N CA -1.348 51.721 53.050 0.032 0.000 0.928 264 N CB 0.524 39.022 38.487 0.019 0.000 1.158 264 N HN 0.025 nan 8.380 nan 0.000 0.463 265 P HA -0.161 nan 4.420 nan 0.000 0.217 265 P C 1.314 178.640 177.300 0.042 0.000 1.148 265 P CA 2.732 65.855 63.100 0.039 0.000 0.828 265 P CB -0.168 31.543 31.700 0.019 0.000 0.783 266 E N -0.400 119.829 120.200 0.047 0.000 2.058 266 E HA -0.308 4.040 4.350 -0.002 0.000 0.194 266 E C 1.966 178.597 176.600 0.053 0.000 0.997 266 E CA 2.017 58.441 56.400 0.040 0.000 0.801 266 E CB -2.027 27.696 29.700 0.039 0.000 0.746 266 E HN 0.456 nan 8.360 nan 0.000 0.450 267 H N 1.293 120.359 119.070 -0.007 0.000 2.319 267 H HA -0.117 4.438 4.556 -0.002 0.000 0.297 267 H C 2.085 177.407 175.328 -0.009 0.000 1.097 267 H CA 2.377 58.420 56.048 -0.007 0.000 1.285 267 H CB -0.013 29.744 29.762 -0.008 0.000 1.368 267 H HN 0.368 nan 8.280 nan 0.000 0.495 268 N N -0.155 118.570 118.700 0.041 0.000 2.188 268 N HA -0.114 4.625 4.740 -0.002 0.000 0.184 268 N C 2.156 177.625 175.510 -0.069 0.000 1.018 268 N CA 1.969 55.007 53.050 -0.020 0.000 0.858 268 N CB -0.443 38.077 38.487 0.055 0.000 0.989 268 N HN 0.627 nan 8.380 nan 0.000 0.426 269 K N 1.015 121.392 120.400 -0.038 0.000 2.097 269 K HA 0.193 4.512 4.320 -0.002 0.000 0.205 269 K C 2.159 178.727 176.600 -0.053 0.000 1.050 269 K CA 1.331 57.597 56.287 -0.035 0.000 0.938 269 K CB -1.066 31.424 32.500 -0.015 0.000 0.718 269 K HN 0.286 nan 8.250 nan 0.000 0.442 270 A N 1.538 124.310 122.820 -0.080 0.000 1.933 270 A HA -0.153 4.165 4.320 -0.002 0.000 0.218 270 A C 2.247 179.760 177.584 -0.118 0.000 1.175 270 A CA 1.663 53.645 52.037 -0.091 0.000 0.628 270 A CB -0.135 18.804 19.000 -0.101 0.000 0.814 270 A HN 0.412 nan 8.150 nan 0.000 0.444 271 K N -0.266 120.018 120.400 -0.194 0.000 2.155 271 K HA -0.115 4.203 4.320 -0.002 0.000 0.203 271 K C 1.890 178.438 176.600 -0.086 0.000 1.052 271 K CA 1.316 57.500 56.287 -0.172 0.000 0.948 271 K CB -0.321 32.026 32.500 -0.255 0.000 0.728 271 K HN 0.788 nan 8.250 nan 0.000 0.448 272 E N 0.869 121.028 120.200 -0.069 0.000 2.077 272 E HA -0.165 4.184 4.350 -0.002 0.000 0.193 272 E C 1.853 178.454 176.600 0.001 0.000 0.989 272 E CA 1.135 57.513 56.400 -0.037 0.000 0.800 272 E CB 0.028 29.710 29.700 -0.031 0.000 0.746 272 E HN 0.234 nan 8.360 nan 0.000 0.452 273 A N 1.076 123.908 122.820 0.020 0.000 1.898 273 A HA -0.219 4.100 4.320 -0.002 0.000 0.216 273 A C 2.070 179.751 177.584 0.161 0.000 1.181 273 A CA 1.593 53.691 52.037 0.101 0.000 0.620 273 A CB -0.572 18.448 19.000 0.033 0.000 0.819 273 A HN 0.458 nan 8.150 nan 0.000 0.442 274 E N -0.532 119.700 120.200 0.053 0.000 2.077 274 E HA -0.210 4.139 4.350 -0.002 0.000 0.193 274 E C 1.899 178.531 176.600 0.054 0.000 0.989 274 E CA 1.375 57.802 56.400 0.046 0.000 0.800 274 E CB -0.199 29.496 29.700 -0.009 0.000 0.746 274 E HN 0.443 nan 8.360 nan 0.000 0.452 275 L N 0.915 122.148 121.223 0.018 0.000 2.017 275 L HA -0.145 4.194 4.340 -0.002 0.000 0.208 275 L C 2.162 179.009 176.870 -0.038 0.000 1.073 275 L CA 1.586 56.421 54.840 -0.008 0.000 0.745 275 L CB -0.442 41.600 42.059 -0.028 0.000 0.894 275 L HN 0.228 nan 8.230 nan 0.000 0.432 276 L N -1.137 120.047 121.223 -0.065 0.000 2.353 276 L HA -0.207 4.132 4.340 -0.002 0.000 0.220 276 L C 1.316 177.906 176.870 -0.466 0.000 1.133 276 L CA 1.046 55.736 54.840 -0.250 0.000 0.798 276 L CB -0.507 41.382 42.059 -0.283 0.000 0.922 276 L HN 0.473 nan 8.230 nan 0.000 0.445 277 H N -3.081 115.976 119.070 -0.021 0.000 2.923 277 H HA 0.161 4.716 4.556 -0.001 0.000 0.268 277 H C -0.011 175.313 175.328 -0.007 0.000 1.148 277 H CA -0.486 55.555 56.048 -0.013 0.000 1.146 277 H CB 0.357 30.111 29.762 -0.014 0.000 1.607 277 H HN 0.057 nan 8.280 nan 0.000 0.566 278 D N 1.075 121.509 120.400 0.057 0.000 2.295 278 D HA -0.015 4.624 4.640 -0.002 0.000 0.248 278 D C 1.238 177.555 176.300 0.029 0.000 1.154 278 D CA 0.197 54.223 54.000 0.044 0.000 0.857 278 D CB 1.302 42.122 40.800 0.033 0.000 1.117 278 D HN 0.340 nan 8.370 nan 0.000 0.468 279 S N 4.303 120.023 115.700 0.033 0.000 2.402 279 S HA -0.173 4.295 4.470 -0.002 0.000 0.229 279 S C 1.694 176.311 174.600 0.028 0.000 1.021 279 S CA 0.525 58.741 58.200 0.027 0.000 0.974 279 S CB 0.037 63.253 63.200 0.027 0.000 0.800 279 S HN 0.489 nan 8.310 nan 0.000 0.484 280 K N 1.379 121.798 120.400 0.030 0.000 2.057 280 K HA -0.095 4.224 4.320 -0.002 0.000 0.206 280 K C 1.823 178.449 176.600 0.043 0.000 1.050 280 K CA 1.569 57.876 56.287 0.034 0.000 0.935 280 K CB -0.362 32.158 32.500 0.034 0.000 0.715 280 K HN 0.393 nan 8.250 nan 0.000 0.439 281 E N 0.689 120.915 120.200 0.043 0.000 2.072 281 E HA -0.096 4.253 4.350 -0.002 0.000 0.191 281 E C 2.259 178.899 176.600 0.066 0.000 0.985 281 E CA 0.826 57.258 56.400 0.054 0.000 0.801 281 E CB -0.422 29.301 29.700 0.039 0.000 0.750 281 E HN 0.100 nan 8.360 nan 0.000 0.452 282 V N 1.776 121.714 119.914 0.038 0.000 2.343 282 V HA -0.229 3.890 4.120 -0.002 0.000 0.247 282 V C 2.488 178.629 176.094 0.079 0.000 1.051 282 V CA 1.441 63.767 62.300 0.043 0.000 1.036 282 V CB -0.548 31.274 31.823 -0.001 0.000 0.654 282 V HN 0.146 nan 8.190 nan 0.000 0.451 283 L N 1.300 122.555 121.223 0.054 0.000 1.994 283 L HA -0.218 4.121 4.340 -0.002 0.000 0.208 283 L C 2.618 179.520 176.870 0.054 0.000 1.071 283 L CA 2.672 57.540 54.840 0.047 0.000 0.745 283 L CB -0.861 41.218 42.059 0.033 0.000 0.892 283 L HN 0.653 nan 8.230 nan 0.000 0.431 284 E N -1.953 118.285 120.200 0.062 0.000 2.153 284 E HA -0.335 4.013 4.350 -0.002 0.000 0.194 284 E C 2.103 178.737 176.600 0.057 0.000 0.988 284 E CA 1.648 58.081 56.400 0.056 0.000 0.811 284 E CB -0.659 29.078 29.700 0.061 0.000 0.746 284 E HN 0.724 nan 8.360 nan 0.000 0.466 285 H N 0.478 119.554 119.070 0.010 0.000 2.293 285 H HA -0.057 4.500 4.556 0.001 0.000 0.300 285 H C 1.822 177.150 175.328 -0.001 0.000 1.082 285 H CA 2.242 58.293 56.048 0.005 0.000 1.308 285 H CB 0.032 29.797 29.762 0.004 0.000 1.375 285 H HN 0.152 nan 8.280 nan 0.000 0.495 286 I N 0.485 121.093 120.570 0.064 0.000 2.315 286 I HA -0.209 3.959 4.170 -0.002 0.000 0.248 286 I C 2.437 178.530 176.117 -0.039 0.000 1.117 286 I CA 0.876 62.186 61.300 0.017 0.000 1.404 286 I CB -1.113 36.925 38.000 0.063 0.000 1.071 286 I HN 0.370 nan 8.210 nan 0.000 0.419 287 L N 0.333 121.541 121.223 -0.025 0.000 2.013 287 L HA -0.266 4.072 4.340 -0.002 0.000 0.212 287 L C 2.638 179.471 176.870 -0.061 0.000 1.073 287 L CA 1.599 56.422 54.840 -0.029 0.000 0.753 287 L CB -0.736 41.318 42.059 -0.008 0.000 0.890 287 L HN 0.210 nan 8.230 nan 0.000 0.432 288 S N -0.606 115.031 115.700 -0.104 0.000 2.368 288 S HA -0.127 4.342 4.470 -0.002 0.000 0.224 288 S C 2.023 176.526 174.600 -0.161 0.000 1.029 288 S CA 1.172 59.289 58.200 -0.137 0.000 0.988 288 S CB -0.305 62.790 63.200 -0.175 0.000 0.838 288 S HN 0.175 nan 8.310 nan 0.000 0.462 289 V N 2.093 121.875 119.914 -0.221 0.000 2.343 289 V HA -0.167 3.951 4.120 -0.002 0.000 0.247 289 V C 2.300 178.343 176.094 -0.086 0.000 1.051 289 V CA 1.576 63.776 62.300 -0.167 0.000 1.036 289 V CB -0.549 31.182 31.823 -0.154 0.000 0.654 289 V HN 0.419 nan 8.190 nan 0.000 0.451 290 K N -0.415 119.945 120.400 -0.066 0.000 2.097 290 K HA -0.155 4.163 4.320 -0.002 0.000 0.206 290 K C 2.206 178.782 176.600 -0.040 0.000 1.049 290 K CA 1.185 57.449 56.287 -0.040 0.000 0.933 290 K CB -0.128 32.356 32.500 -0.026 0.000 0.717 290 K HN 0.416 nan 8.250 nan 0.000 0.442 291 E N 0.455 120.626 120.200 -0.049 0.000 2.106 291 E HA -0.131 4.217 4.350 -0.002 0.000 0.192 291 E C 1.970 178.540 176.600 -0.050 0.000 0.984 291 E CA 1.016 57.389 56.400 -0.045 0.000 0.806 291 E CB -0.140 29.532 29.700 -0.046 0.000 0.750 291 E HN 0.294 nan 8.360 nan 0.000 0.458 292 A N 1.135 123.918 122.820 -0.062 0.000 1.898 292 A HA -0.112 4.207 4.320 -0.002 0.000 0.216 292 A C 2.337 179.894 177.584 -0.045 0.000 1.181 292 A CA 0.882 52.883 52.037 -0.060 0.000 0.620 292 A CB -0.605 18.353 19.000 -0.070 0.000 0.819 292 A HN 0.154 nan 8.150 nan 0.000 0.442 293 I N -0.099 120.448 120.570 -0.040 0.000 2.163 293 I HA -0.330 3.838 4.170 -0.002 0.000 0.243 293 I C 2.992 179.093 176.117 -0.025 0.000 1.085 293 I CA 1.218 62.501 61.300 -0.028 0.000 1.347 293 I CB -0.317 37.670 38.000 -0.023 0.000 1.044 293 I HN 0.362 nan 8.210 nan 0.000 0.408 294 A N 0.179 122.984 122.820 -0.026 0.000 1.908 294 A HA -0.253 4.066 4.320 -0.002 0.000 0.218 294 A C 2.211 179.781 177.584 -0.024 0.000 1.181 294 A CA 1.847 53.871 52.037 -0.022 0.000 0.627 294 A CB -0.639 18.349 19.000 -0.021 0.000 0.818 294 A HN 0.464 nan 8.150 nan 0.000 0.445 295 E N -0.233 119.949 120.200 -0.031 0.000 2.038 295 E HA -0.176 4.172 4.350 -0.002 0.000 0.195 295 E C 1.987 178.569 176.600 -0.030 0.000 1.000 295 E CA 1.311 57.691 56.400 -0.033 0.000 0.803 295 E CB -0.312 29.361 29.700 -0.045 0.000 0.750 295 E HN 0.626 nan 8.360 nan 0.000 0.448 296 L N 0.843 122.047 121.223 -0.032 0.000 2.083 296 L HA -0.196 4.143 4.340 -0.002 0.000 0.209 296 L C 2.270 179.127 176.870 -0.022 0.000 1.083 296 L CA 1.166 55.989 54.840 -0.029 0.000 0.752 296 L CB -0.419 41.623 42.059 -0.029 0.000 0.899 296 L HN 0.163 nan 8.230 nan 0.000 0.433 297 E N 0.163 120.352 120.200 -0.019 0.000 2.204 297 E HA -0.205 4.144 4.350 -0.002 0.000 0.195 297 E C 2.207 178.800 176.600 -0.011 0.000 0.990 297 E CA 0.992 57.384 56.400 -0.014 0.000 0.821 297 E CB -0.095 29.598 29.700 -0.012 0.000 0.750 297 E HN 0.500 nan 8.360 nan 0.000 0.477 298 A N 0.808 123.620 122.820 -0.013 0.000 2.067 298 A HA -0.089 4.230 4.320 -0.002 0.000 0.219 298 A C 2.191 179.772 177.584 -0.006 0.000 1.158 298 A CA 1.385 53.417 52.037 -0.009 0.000 0.661 298 A CB -0.051 18.944 19.000 -0.010 0.000 0.801 298 A HN 0.239 nan 8.150 nan 0.000 0.452 299 V N -5.629 114.279 119.914 -0.010 0.000 3.432 299 V HA 0.338 4.456 4.120 -0.002 0.000 0.298 299 V C 0.317 176.405 176.094 -0.011 0.000 1.464 299 V CA -0.602 61.694 62.300 -0.008 0.000 1.046 299 V CB -1.094 30.723 31.823 -0.010 0.000 0.887 299 V HN 0.327 nan 8.190 nan 0.000 0.441 300 C N 0.567 119.860 119.300 -0.012 0.000 2.595 300 C HA 0.663 5.122 4.460 -0.002 0.000 0.338 300 C C 0.380 175.365 174.990 -0.008 0.000 1.219 300 C CA -1.079 57.932 59.018 -0.012 0.000 1.811 300 C CB 1.717 29.448 27.740 -0.015 0.000 2.313 300 C HN 0.531 nan 8.230 nan 0.000 0.499 301 L N 3.098 124.317 121.223 -0.006 0.000 2.540 301 L HA 0.135 4.474 4.340 -0.002 0.000 0.276 301 L C -1.993 174.875 176.870 -0.004 0.000 1.212 301 L CA -0.705 54.133 54.840 -0.004 0.000 0.893 301 L CB 0.039 42.096 42.059 -0.004 0.000 1.138 301 L HN 0.412 nan 8.230 nan 0.000 0.491 302 P HA -0.001 nan 4.420 nan 0.000 0.264 302 P C 0.750 178.048 177.300 -0.003 0.000 1.183 302 P CA 0.721 63.819 63.100 -0.003 0.000 0.763 302 P CB 0.681 32.380 31.700 -0.002 0.000 0.807 303 G N 2.436 111.234 108.800 -0.003 0.000 2.184 303 G HA2 -0.312 3.646 3.960 -0.002 0.000 0.264 303 G HA3 -0.312 3.646 3.960 -0.002 0.000 0.264 303 G C 0.998 175.897 174.900 -0.003 0.000 0.975 303 G CA 0.644 45.743 45.100 -0.003 0.000 0.642 303 G HN 0.620 nan 8.290 nan 0.000 0.536 304 S N -1.457 114.241 115.700 -0.004 0.000 2.503 304 S HA 0.457 4.925 4.470 -0.002 0.000 0.215 304 S C 0.852 175.448 174.600 -0.005 0.000 1.003 304 S CA 0.604 58.801 58.200 -0.004 0.000 0.910 304 S CB 0.695 63.891 63.200 -0.005 0.000 0.790 304 S HN 0.782 nan 8.310 nan 0.000 0.514 305 V N 3.791 123.701 119.914 -0.007 0.000 2.427 305 V HA 0.514 4.633 4.120 -0.002 0.000 0.268 305 V C 0.232 176.323 176.094 -0.006 0.000 1.046 305 V CA -0.292 62.003 62.300 -0.008 0.000 0.970 305 V CB 0.426 32.242 31.823 -0.011 0.000 1.001 305 V HN 0.480 nan 8.190 nan 0.000 0.476 306 V N 3.492 123.404 119.914 -0.004 0.000 3.102 306 V HA 0.721 4.839 4.120 -0.002 0.000 0.312 306 V C -0.520 175.575 176.094 0.001 0.000 1.135 306 V CA -0.917 61.383 62.300 -0.001 0.000 1.022 306 V CB 2.294 34.118 31.823 0.001 0.000 1.056 306 V HN 0.334 nan 8.190 nan 0.000 0.436 307 V N 2.055 121.972 119.914 0.005 0.000 2.348 307 V HA 0.381 4.499 4.120 -0.002 0.000 0.270 307 V C 0.959 177.061 176.094 0.013 0.000 1.037 307 V CA 0.123 62.429 62.300 0.011 0.000 0.872 307 V CB 0.321 32.154 31.823 0.017 0.000 1.002 307 V HN 1.068 nan 8.190 nan 0.000 0.464 308 E N 2.429 122.637 120.200 0.013 0.000 2.230 308 E HA -0.012 4.336 4.350 -0.002 0.000 0.192 308 E C 0.126 176.736 176.600 0.017 0.000 0.987 308 E CA 0.639 57.047 56.400 0.013 0.000 0.841 308 E CB 0.425 30.132 29.700 0.012 0.000 0.783 308 E HN 0.794 nan 8.360 nan 0.000 0.481 309 D N 0.028 120.442 120.400 0.023 0.000 2.736 309 D HA 0.198 4.837 4.640 -0.002 0.000 0.243 309 D C -1.827 174.495 176.300 0.037 0.000 1.304 309 D CA -0.585 53.430 54.000 0.025 0.000 0.934 309 D CB 1.230 42.046 40.800 0.026 0.000 1.382 309 D HN -0.145 nan 8.370 nan 0.000 0.571 310 L N 5.453 126.694 121.223 0.029 0.000 2.262 310 L HA 0.516 4.855 4.340 -0.002 0.000 0.288 310 L C 0.226 177.103 176.870 0.011 0.000 1.035 310 L CA -0.202 54.664 54.840 0.043 0.000 0.820 310 L CB 0.709 42.787 42.059 0.031 0.000 1.204 310 L HN 0.832 nan 8.230 nan 0.000 0.424 311 M N 3.759 123.367 119.600 0.014 0.000 2.253 311 M HA -0.211 4.268 4.480 -0.002 0.000 0.195 311 M C -0.706 175.495 176.300 -0.165 0.000 0.512 311 M CA 0.971 56.150 55.300 -0.203 0.000 0.442 311 M CB -0.788 31.678 32.600 -0.223 0.000 1.189 311 M HN 0.821 nan 8.290 nan 0.000 0.923 312 S N -0.744 114.900 115.700 -0.093 0.000 2.616 312 S HA 0.721 5.189 4.470 -0.002 0.000 0.277 312 S C 0.227 174.789 174.600 -0.063 0.000 1.234 312 S CA -1.060 57.102 58.200 -0.065 0.000 1.028 312 S CB 2.027 65.212 63.200 -0.025 0.000 0.988 312 S HN 0.307 nan 8.310 nan 0.000 0.522 313 V N 3.213 123.096 119.914 -0.052 0.000 2.572 313 V HA 0.334 4.453 4.120 -0.002 0.000 0.291 313 V C 0.248 176.339 176.094 -0.006 0.000 1.039 313 V CA -0.316 61.964 62.300 -0.034 0.000 1.055 313 V CB -0.168 31.631 31.823 -0.039 0.000 0.969 313 V HN 0.767 nan 8.190 nan 0.000 0.482 314 R N 3.748 124.259 120.500 0.019 0.000 2.439 314 R HA 0.430 4.768 4.340 -0.002 0.000 0.310 314 R C -0.784 175.532 176.300 0.026 0.000 0.955 314 R CA -0.794 55.331 56.100 0.042 0.000 0.853 314 R CB 1.625 31.980 30.300 0.091 0.000 1.171 314 R HN 0.600 nan 8.270 nan 0.000 0.449 315 Q N 2.989 122.794 119.800 0.008 0.000 2.294 315 Q HA 0.273 4.612 4.340 -0.002 0.000 0.257 315 Q C 0.132 176.136 176.000 0.007 0.000 0.955 315 Q CA -0.064 55.730 55.803 -0.015 0.000 0.936 315 Q CB 1.450 30.177 28.738 -0.018 0.000 1.188 315 Q HN 0.209 nan 8.270 nan 0.000 0.420 316 R N 1.674 122.171 120.500 -0.006 0.000 2.738 316 R HA 0.329 4.667 4.340 -0.002 0.000 0.280 316 R C 0.743 177.047 176.300 0.006 0.000 1.456 316 R CA 0.260 56.384 56.100 0.040 0.000 1.612 316 R CB 0.603 31.007 30.300 0.173 0.000 1.286 316 R HN 0.930 nan 8.270 nan 0.000 0.660 317 G N 1.207 109.987 108.800 -0.034 0.000 3.377 317 G HA2 -0.442 3.516 3.960 -0.002 0.000 0.304 317 G HA3 -0.442 3.516 3.960 -0.002 0.000 0.304 317 G C 0.885 175.771 174.900 -0.024 0.000 1.366 317 G CA 0.709 45.778 45.100 -0.051 0.000 1.020 317 G HN 0.433 nan 8.290 nan 0.000 0.621 318 S N 0.360 116.063 115.700 0.005 0.000 2.527 318 S HA 0.464 4.933 4.470 -0.002 0.000 0.222 318 S C 0.900 175.491 174.600 -0.015 0.000 0.985 318 S CA 1.445 59.653 58.200 0.013 0.000 0.921 318 S CB -0.064 63.158 63.200 0.037 0.000 0.772 318 S HN 2.077 nan 8.310 nan 0.000 0.529 319 V N -0.325 119.554 119.914 -0.058 0.000 3.078 319 V HA 0.727 4.846 4.120 -0.002 0.000 0.311 319 V C -1.282 174.618 176.094 -0.323 0.000 1.138 319 V CA -1.259 60.932 62.300 -0.182 0.000 1.007 319 V CB 1.754 33.457 31.823 -0.200 0.000 1.045 319 V HN 0.457 nan 8.190 nan 0.000 0.432 320 Q N 1.325 120.881 119.800 -0.407 0.000 2.394 320 Q HA 0.715 5.053 4.340 -0.002 0.000 0.273 320 Q C -1.567 174.159 176.000 -0.456 0.000 1.089 320 Q CA -0.882 54.710 55.803 -0.352 0.000 0.812 320 Q CB 2.879 31.528 28.738 -0.148 0.000 1.353 320 Q HN 0.902 nan 8.270 nan 0.000 0.438 321 H N 1.100 120.173 119.070 0.005 0.000 2.895 321 H HA 0.405 4.960 4.556 -0.002 0.000 0.373 321 H C -0.653 174.658 175.328 -0.028 0.000 1.174 321 H CA -0.840 55.214 56.048 0.008 0.000 1.144 321 H CB 1.686 31.470 29.762 0.036 0.000 1.793 321 H HN 0.565 nan 8.280 nan 0.000 0.551 322 L N 1.494 122.757 121.223 0.067 0.000 2.410 322 L HA 0.373 4.712 4.340 -0.002 0.000 0.273 322 L C 0.989 177.835 176.870 -0.040 0.000 1.144 322 L CA -0.073 54.675 54.840 -0.153 0.000 0.863 322 L CB 0.535 42.329 42.059 -0.442 0.000 1.140 322 L HN 0.637 nan 8.230 nan 0.000 0.463 323 G N 1.788 110.573 108.800 -0.025 0.000 2.566 323 G HA2 0.618 4.576 3.960 -0.002 0.000 0.311 323 G HA3 0.618 4.576 3.960 -0.002 0.000 0.311 323 G C -1.065 173.939 174.900 0.174 0.000 1.322 323 G CA -0.264 44.932 45.100 0.160 0.000 0.969 323 G HN 0.510 nan 8.290 nan 0.000 0.490 324 S N -0.701 115.157 115.700 0.264 0.000 2.600 324 S HA 0.836 5.304 4.470 -0.002 0.000 0.300 324 S C 0.110 174.757 174.600 0.078 0.000 1.087 324 S CA -0.555 57.745 58.200 0.167 0.000 0.965 324 S CB 2.115 65.444 63.200 0.216 0.000 1.089 324 S HN 1.015 nan 8.310 nan 0.000 0.496 325 G N 0.781 109.612 108.800 0.051 0.000 2.487 325 G HA2 0.595 4.553 3.960 -0.002 0.000 0.314 325 G HA3 0.595 4.553 3.960 -0.002 0.000 0.314 325 G C -1.218 173.692 174.900 0.017 0.000 1.267 325 G CA -0.430 44.687 45.100 0.028 0.000 0.937 325 G HN 0.556 nan 8.290 nan 0.000 0.481 326 V N 1.830 121.747 119.914 0.005 0.000 2.540 326 V HA 0.779 4.898 4.120 -0.002 0.000 0.302 326 V C 0.147 176.237 176.094 -0.008 0.000 1.035 326 V CA -0.725 61.572 62.300 -0.004 0.000 0.873 326 V CB 1.466 33.280 31.823 -0.015 0.000 0.992 326 V HN 1.043 nan 8.190 nan 0.000 0.428 327 S N 2.711 118.406 115.700 -0.007 0.000 2.632 327 S HA 1.020 5.489 4.470 -0.002 0.000 0.289 327 S C -0.348 174.244 174.600 -0.012 0.000 1.115 327 S CA -0.165 58.029 58.200 -0.010 0.000 0.889 327 S CB 2.415 65.612 63.200 -0.005 0.000 1.116 327 S HN 1.432 nan 8.310 nan 0.000 0.486 328 G N 0.078 108.869 108.800 -0.015 0.000 2.623 328 G HA2 0.554 4.512 3.960 -0.002 0.000 0.290 328 G HA3 0.554 4.512 3.960 -0.002 0.000 0.290 328 G C -2.123 172.767 174.900 -0.016 0.000 1.437 328 G CA -0.695 44.396 45.100 -0.015 0.000 0.798 328 G HN 0.579 nan 8.290 nan 0.000 0.488 329 Q N 0.708 120.500 119.800 -0.013 0.000 2.325 329 Q HA 0.378 4.717 4.340 -0.002 0.000 0.262 329 Q C 0.183 176.174 176.000 -0.014 0.000 0.968 329 Q CA -0.486 55.310 55.803 -0.013 0.000 0.877 329 Q CB 2.162 30.896 28.738 -0.008 0.000 1.253 329 Q HN 0.484 nan 8.270 nan 0.000 0.448 330 L N 1.531 122.743 121.223 -0.019 0.000 2.506 330 L HA 0.056 4.395 4.340 -0.002 0.000 0.281 330 L C 0.734 177.599 176.870 -0.009 0.000 1.228 330 L CA -0.037 54.792 54.840 -0.018 0.000 0.850 330 L CB 0.291 42.336 42.059 -0.024 0.000 1.110 330 L HN 0.617 nan 8.230 nan 0.000 0.496 331 A N 2.314 125.131 122.820 -0.005 0.000 2.366 331 A HA 0.412 4.730 4.320 -0.002 0.000 0.249 331 A C 1.172 178.758 177.584 0.004 0.000 1.084 331 A CA 0.291 52.327 52.037 -0.000 0.000 0.794 331 A CB 0.425 19.425 19.000 0.001 0.000 1.034 331 A HN 0.914 nan 8.150 nan 0.000 0.491 332 E N 0.474 120.677 120.200 0.005 0.000 2.160 332 E HA -0.240 4.109 4.350 -0.002 0.000 0.195 332 E C 1.090 177.697 176.600 0.012 0.000 0.991 332 E CA 1.762 58.166 56.400 0.007 0.000 0.810 332 E CB -1.101 28.602 29.700 0.006 0.000 0.742 332 E HN 0.909 nan 8.360 nan 0.000 0.466 333 N N -0.441 118.266 118.700 0.012 0.000 2.276 333 N HA 0.046 4.784 4.740 -0.002 0.000 0.212 333 N C -0.179 175.346 175.510 0.025 0.000 1.127 333 N CA -0.276 52.784 53.050 0.018 0.000 0.834 333 N CB 0.429 38.924 38.487 0.014 0.000 1.014 333 N HN -0.007 nan 8.380 nan 0.000 0.491 334 K N 1.721 122.135 120.400 0.023 0.000 2.378 334 K HA 0.211 4.529 4.320 -0.002 0.000 0.252 334 K C -0.930 175.690 176.600 0.032 0.000 0.931 334 K CA -0.537 55.768 56.287 0.030 0.000 0.794 334 K CB 2.237 34.747 32.500 0.016 0.000 1.181 334 K HN 0.223 nan 8.250 nan 0.000 0.425 335 D N -0.231 120.203 120.400 0.057 0.000 2.506 335 D HA 0.381 5.019 4.640 -0.002 0.000 0.254 335 D C 0.806 177.105 176.300 -0.002 0.000 1.089 335 D CA -0.755 53.279 54.000 0.056 0.000 1.050 335 D CB 0.549 41.428 40.800 0.132 0.000 1.221 335 D HN 0.290 nan 8.370 nan 0.000 0.589 336 A N -0.642 122.124 122.820 -0.089 0.000 1.972 336 A HA -0.098 4.221 4.320 -0.002 0.000 0.219 336 A C 1.820 179.122 177.584 -0.470 0.000 1.169 336 A CA 1.017 52.826 52.037 -0.380 0.000 0.635 336 A CB -1.157 17.537 19.000 -0.510 0.000 0.810 336 A HN 0.694 nan 8.150 nan 0.000 0.446 337 W N 0.278 121.586 121.300 0.013 0.000 2.436 337 W HA -0.040 4.617 4.660 -0.005 0.000 0.284 337 W C 1.750 178.345 176.519 0.127 0.000 1.225 337 W CA 0.667 58.087 57.345 0.125 0.000 1.271 337 W CB -0.058 29.511 29.460 0.182 0.000 1.114 337 W HN 0.300 nan 8.180 nan 0.000 0.559 338 D N 0.182 120.725 120.400 0.238 0.000 2.097 338 D HA -0.140 4.499 4.640 -0.002 0.000 0.197 338 D C 2.245 178.597 176.300 0.087 0.000 0.984 338 D CA 1.791 55.883 54.000 0.154 0.000 0.826 338 D CB -0.766 40.092 40.800 0.096 0.000 0.973 338 D HN 0.124 nan 8.370 nan 0.000 0.460 339 A N 0.839 123.664 122.820 0.008 0.000 1.877 339 A HA -0.192 4.126 4.320 -0.002 0.000 0.216 339 A C 2.117 179.683 177.584 -0.029 0.000 1.186 339 A CA 1.073 53.082 52.037 -0.046 0.000 0.620 339 A CB -1.083 17.842 19.000 -0.125 0.000 0.822 339 A HN 0.220 nan 8.150 nan 0.000 0.443 340 F N 1.544 121.372 119.950 -0.204 0.000 2.095 340 F HA -0.192 4.336 4.527 0.002 0.000 0.298 340 F C 2.505 178.380 175.800 0.124 0.000 1.104 340 F CA 2.342 60.264 58.000 -0.130 0.000 1.232 340 F CB -0.733 38.112 39.000 -0.259 0.000 0.987 340 F HN 0.226 nan 8.300 nan 0.000 0.475 341 T N -0.090 114.593 114.554 0.214 0.000 2.720 341 T HA -0.176 4.173 4.350 -0.002 0.000 0.268 341 T C 2.165 176.905 174.700 0.067 0.000 1.037 341 T CA 1.673 63.905 62.100 0.221 0.000 1.144 341 T CB -0.691 68.330 68.868 0.256 0.000 0.864 341 T HN 0.145 nan 8.240 nan 0.000 0.444 342 V N 1.207 121.136 119.914 0.024 0.000 2.358 342 V HA -0.039 4.080 4.120 -0.002 0.000 0.246 342 V C 2.408 178.470 176.094 -0.052 0.000 1.047 342 V CA 1.371 63.664 62.300 -0.012 0.000 1.035 342 V CB -0.556 31.260 31.823 -0.013 0.000 0.658 342 V HN 0.430 nan 8.190 nan 0.000 0.452 343 L N -1.741 119.427 121.223 -0.091 0.000 2.313 343 L HA 0.062 4.400 4.340 -0.002 0.000 0.214 343 L C 0.964 177.734 176.870 -0.166 0.000 1.119 343 L CA 0.451 55.219 54.840 -0.121 0.000 0.809 343 L CB -0.101 41.890 42.059 -0.113 0.000 0.933 343 L HN 0.291 nan 8.230 nan 0.000 0.449 344 F N 1.920 121.621 119.950 -0.415 0.000 2.394 344 F HA 0.377 4.902 4.527 -0.004 0.000 0.340 344 F C -2.084 173.596 175.800 -0.200 0.000 1.105 344 F CA -2.827 54.915 58.000 -0.430 0.000 1.124 344 F CB 0.808 39.298 39.000 -0.851 0.000 1.145 344 F HN -0.263 nan 8.300 nan 0.000 0.505 345 P HA 0.154 nan 4.420 nan 0.000 0.276 345 P C -0.936 176.064 177.300 -0.501 0.000 1.261 345 P CA -0.502 61.876 63.100 -1.205 0.000 0.800 345 P CB 0.620 31.813 31.700 -0.846 0.000 1.066 346 S N 0.482 115.953 115.700 -0.381 0.000 2.573 346 S HA -0.038 4.431 4.470 -0.002 0.000 0.297 346 S C 1.808 176.303 174.600 -0.175 0.000 1.280 346 S CA -0.058 58.015 58.200 -0.211 0.000 1.061 346 S CB -0.625 62.477 63.200 -0.163 0.000 0.812 346 S HN 0.308 nan 8.310 nan 0.000 0.500 347 I N 2.636 123.126 120.570 -0.133 0.000 2.185 347 I HA -0.276 3.893 4.170 -0.002 0.000 0.246 347 I C 2.658 178.720 176.117 -0.091 0.000 1.088 347 I CA 1.768 63.006 61.300 -0.103 0.000 1.347 347 I CB -0.743 37.202 38.000 -0.091 0.000 1.041 347 I HN 0.805 nan 8.210 nan 0.000 0.415 348 T N -1.935 112.560 114.554 -0.098 0.000 3.118 348 T HA 0.183 4.532 4.350 -0.002 0.000 0.260 348 T C 1.263 175.914 174.700 -0.081 0.000 1.139 348 T CA 0.679 62.730 62.100 -0.082 0.000 1.085 348 T CB 0.038 68.853 68.868 -0.088 0.000 0.934 348 T HN 0.370 nan 8.240 nan 0.000 0.518 349 A N 0.501 123.255 122.820 -0.110 0.000 2.508 349 A HA 0.612 4.930 4.320 -0.002 0.000 0.257 349 A C 1.908 179.438 177.584 -0.089 0.000 1.226 349 A CA 0.367 52.329 52.037 -0.125 0.000 0.947 349 A CB 0.255 19.126 19.000 -0.215 0.000 1.079 349 A HN 0.573 nan 8.150 nan 0.000 0.531 350 S N -1.916 113.748 115.700 -0.060 0.000 3.889 350 S HA 0.704 5.173 4.470 -0.002 0.000 0.185 350 S C 0.862 175.444 174.600 -0.030 0.000 0.937 350 S CA 0.731 58.925 58.200 -0.009 0.000 0.985 350 S CB 0.217 63.404 63.200 -0.021 0.000 1.299 350 S HN 1.823 nan 8.310 nan 0.000 0.673 351 G N 0.606 109.378 108.800 -0.046 0.000 2.352 351 G HA2 0.394 4.352 3.960 -0.002 0.000 0.283 351 G HA3 0.394 4.352 3.960 -0.002 0.000 0.283 351 G C -2.282 172.599 174.900 -0.031 0.000 1.308 351 G CA -0.575 44.503 45.100 -0.036 0.000 0.892 351 G HN 0.695 nan 8.290 nan 0.000 0.504 352 I N 1.128 121.701 120.570 0.004 0.000 2.534 352 I HA 0.377 4.546 4.170 -0.002 0.000 0.288 352 I C -2.575 173.587 176.117 0.074 0.000 1.077 352 I CA -2.074 59.239 61.300 0.021 0.000 1.051 352 I CB 2.924 40.936 38.000 0.021 0.000 1.234 352 I HN 0.188 nan 8.210 nan 0.000 0.425 353 P HA 0.085 nan 4.420 nan 0.000 0.270 353 P C 0.382 177.672 177.300 -0.016 0.000 1.223 353 P CA -0.385 62.724 63.100 0.015 0.000 0.785 353 P CB 0.996 32.710 31.700 0.022 0.000 0.923 354 K N 1.931 122.311 120.400 -0.033 0.000 2.026 354 K HA -0.194 4.125 4.320 -0.002 0.000 0.208 354 K C 1.406 177.968 176.600 -0.063 0.000 1.048 354 K CA 1.659 57.913 56.287 -0.055 0.000 0.929 354 K CB -0.279 32.184 32.500 -0.062 0.000 0.713 354 K HN 0.272 nan 8.250 nan 0.000 0.439 355 N N 0.855 119.524 118.700 -0.050 0.000 2.120 355 N HA -0.144 4.595 4.740 -0.002 0.000 0.188 355 N C 1.647 177.124 175.510 -0.054 0.000 1.024 355 N CA 1.489 54.508 53.050 -0.051 0.000 0.852 355 N CB -0.525 37.941 38.487 -0.036 0.000 1.003 355 N HN 0.319 nan 8.380 nan 0.000 0.424 356 A N 0.773 123.567 122.820 -0.044 0.000 1.908 356 A HA -0.008 4.311 4.320 -0.002 0.000 0.218 356 A C 2.327 179.779 177.584 -0.220 0.000 1.181 356 A CA 2.024 54.026 52.037 -0.057 0.000 0.627 356 A CB -0.938 18.088 19.000 0.043 0.000 0.818 356 A HN 0.324 nan 8.150 nan 0.000 0.445 357 A N -0.243 122.429 122.820 -0.247 0.000 1.902 357 A HA -0.029 4.289 4.320 -0.002 0.000 0.217 357 A C 2.168 179.639 177.584 -0.187 0.000 1.181 357 A CA 1.445 53.269 52.037 -0.354 0.000 0.623 357 A CB -0.620 18.255 19.000 -0.209 0.000 0.818 357 A HN 0.476 nan 8.150 nan 0.000 0.443 358 L N -0.390 120.783 121.223 -0.082 0.000 2.042 358 L HA -0.253 4.086 4.340 -0.002 0.000 0.210 358 L C 2.577 179.455 176.870 0.014 0.000 1.076 358 L CA 1.812 56.656 54.840 0.007 0.000 0.749 358 L CB -0.705 41.313 42.059 -0.068 0.000 0.893 358 L HN 0.551 nan 8.230 nan 0.000 0.432 359 N N 0.319 118.997 118.700 -0.037 0.000 2.069 359 N HA -0.202 4.537 4.740 -0.002 0.000 0.191 359 N C 1.794 177.292 175.510 -0.020 0.000 1.031 359 N CA 1.804 54.847 53.050 -0.012 0.000 0.852 359 N CB -0.131 38.347 38.487 -0.015 0.000 1.018 359 N HN 0.287 nan 8.380 nan 0.000 0.423 360 A N 0.494 123.244 122.820 -0.118 0.000 1.908 360 A HA -0.108 4.210 4.320 -0.002 0.000 0.218 360 A C 2.394 179.950 177.584 -0.047 0.000 1.181 360 A CA 1.427 53.387 52.037 -0.128 0.000 0.627 360 A CB -0.923 17.792 19.000 -0.474 0.000 0.818 360 A HN 0.430 nan 8.150 nan 0.000 0.445 361 I N -0.785 119.766 120.570 -0.031 0.000 2.208 361 I HA -0.320 3.849 4.170 -0.002 0.000 0.245 361 I C 2.680 178.835 176.117 0.064 0.000 1.097 361 I CA 1.623 62.940 61.300 0.027 0.000 1.363 361 I CB -0.232 37.823 38.000 0.090 0.000 1.051 361 I HN 0.357 nan 8.210 nan 0.000 0.413 362 M N -0.636 119.026 119.600 0.103 0.000 2.319 362 M HA -0.167 4.311 4.480 -0.002 0.000 0.265 362 M C 2.164 178.508 176.300 0.073 0.000 1.068 362 M CA 1.231 56.603 55.300 0.120 0.000 1.118 362 M CB -0.162 32.526 32.600 0.146 0.000 1.395 362 M HN 0.238 nan 8.290 nan 0.000 0.435 363 Q N 0.060 119.891 119.800 0.052 0.000 2.163 363 Q HA 0.077 4.415 4.340 -0.002 0.000 0.198 363 Q C 1.970 177.990 176.000 0.033 0.000 0.954 363 Q CA 1.249 57.077 55.803 0.041 0.000 0.851 363 Q CB -0.033 28.730 28.738 0.043 0.000 0.928 363 Q HN 0.568 nan 8.270 nan 0.000 0.459 364 I N 0.602 121.190 120.570 0.029 0.000 2.339 364 I HA -0.104 4.064 4.170 -0.002 0.000 0.245 364 I C 0.597 176.722 176.117 0.012 0.000 1.096 364 I CA 0.481 61.792 61.300 0.019 0.000 1.408 364 I CB 0.106 38.116 38.000 0.017 0.000 1.092 364 I HN 0.090 nan 8.210 nan 0.000 0.423 365 E N 1.475 121.681 120.200 0.011 0.000 2.343 365 E HA 0.110 4.459 4.350 -0.002 0.000 0.269 365 E C 0.174 176.772 176.600 -0.003 0.000 1.047 365 E CA -0.245 56.155 56.400 -0.001 0.000 0.874 365 E CB 0.888 30.574 29.700 -0.023 0.000 1.033 365 E HN 0.044 nan 8.360 nan 0.000 0.409 366 K N 0.594 120.983 120.400 -0.020 0.000 2.402 366 K HA 0.110 4.428 4.320 -0.002 0.000 0.204 366 K C 0.053 176.620 176.600 -0.054 0.000 1.056 366 K CA 0.231 56.503 56.287 -0.025 0.000 1.069 366 K CB 1.000 33.489 32.500 -0.019 0.000 0.888 366 K HN 0.598 nan 8.250 nan 0.000 0.546 367 T N 0.352 114.852 114.554 -0.089 0.000 2.887 367 T HA 0.511 4.860 4.350 -0.002 0.000 0.288 367 T C -2.829 171.786 174.700 -0.141 0.000 1.021 367 T CA -2.017 59.992 62.100 -0.151 0.000 1.000 367 T CB 2.319 71.035 68.868 -0.253 0.000 1.034 367 T HN -0.191 nan 8.240 nan 0.000 0.467 368 P HA 0.300 nan 4.420 nan 0.000 0.271 368 P C 0.546 177.762 177.300 -0.139 0.000 1.216 368 P CA -0.518 62.537 63.100 -0.075 0.000 0.771 368 P CB 1.137 32.817 31.700 -0.034 0.000 0.864 369 R N 1.390 121.840 120.500 -0.084 0.000 2.096 369 R HA -0.128 4.211 4.340 -0.002 0.000 0.235 369 R C 0.726 176.954 176.300 -0.120 0.000 1.127 369 R CA 0.806 56.850 56.100 -0.094 0.000 0.968 369 R CB -0.098 30.069 30.300 -0.223 0.000 0.861 369 R HN 0.563 nan 8.270 nan 0.000 0.440 370 E N -1.299 118.851 120.200 -0.083 0.000 3.130 370 E HA -0.312 4.036 4.350 -0.002 0.000 0.381 370 E C 0.947 177.456 176.600 -0.152 0.000 1.488 370 E CA 1.676 57.945 56.400 -0.219 0.000 1.362 370 E CB -1.408 27.856 29.700 -0.727 0.000 1.656 370 E HN 0.210 nan 8.360 nan 0.000 0.504 371 L N 0.969 121.927 121.223 -0.441 0.000 2.509 371 L HA 0.112 4.450 4.340 -0.002 0.000 0.222 371 L C 0.928 177.728 176.870 -0.117 0.000 1.123 371 L CA 0.834 55.583 54.840 -0.152 0.000 0.856 371 L CB -0.399 41.647 42.059 -0.021 0.000 0.985 371 L HN 0.400 nan 8.230 nan 0.000 0.456 372 Y N 0.919 120.947 120.300 -0.452 0.000 2.620 372 Y HA 0.204 4.753 4.550 -0.002 0.000 0.330 372 Y C 1.476 177.329 175.900 -0.079 0.000 1.186 372 Y CA 0.354 58.352 58.100 -0.171 0.000 1.467 372 Y CB 0.349 38.695 38.460 -0.189 0.000 1.262 372 Y HN 0.453 nan 8.280 nan 0.000 0.550 373 S N 1.176 116.395 115.700 -0.801 0.000 3.084 373 S HA -0.208 4.261 4.470 -0.002 0.000 0.277 373 S C 0.564 175.039 174.600 -0.208 0.000 1.295 373 S CA 0.672 58.509 58.200 -0.606 0.000 1.170 373 S CB -2.393 60.402 63.200 -0.676 0.000 1.412 373 S HN 1.472 nan 8.310 nan 0.000 0.669 374 G N 1.085 109.884 108.800 -0.002 0.000 2.546 374 G HA2 0.775 4.734 3.960 -0.002 0.000 0.239 374 G HA3 0.775 4.734 3.960 -0.002 0.000 0.239 374 G C 0.028 175.092 174.900 0.275 0.000 1.476 374 G CA -0.232 45.040 45.100 0.286 0.000 1.064 374 G HN 1.704 nan 8.290 nan 0.000 0.561 375 A N -1.316 121.716 122.820 0.353 0.000 2.475 375 A HA 0.668 4.986 4.320 -0.002 0.000 0.301 375 A C -1.052 176.501 177.584 -0.052 0.000 1.059 375 A CA -0.533 51.631 52.037 0.213 0.000 0.710 375 A CB 1.513 20.799 19.000 0.476 0.000 1.288 375 A HN 0.412 nan 8.150 nan 0.000 0.408 376 I N 1.965 122.422 120.570 -0.189 0.000 2.412 376 I HA 0.419 4.587 4.170 -0.002 0.000 0.296 376 I C -0.436 175.564 176.117 -0.194 0.000 0.987 376 I CA -0.346 60.752 61.300 -0.336 0.000 1.180 376 I CB 1.111 38.722 38.000 -0.649 0.000 1.340 376 I HN 0.526 nan 8.210 nan 0.000 0.455 377 L N 6.182 127.251 121.223 -0.257 0.000 2.334 377 L HA 0.608 4.947 4.340 -0.002 0.000 0.276 377 L C -0.769 175.760 176.870 -0.568 0.000 1.014 377 L CA -0.912 53.692 54.840 -0.394 0.000 0.815 377 L CB 2.239 43.998 42.059 -0.499 0.000 1.268 377 L HN 0.317 nan 8.230 nan 0.000 0.428 378 L N 3.365 124.149 121.223 -0.731 0.000 2.404 378 L HA 0.568 4.906 4.340 -0.002 0.000 0.272 378 L C -1.386 175.095 176.870 -0.647 0.000 0.980 378 L CA -0.176 54.157 54.840 -0.844 0.000 0.836 378 L CB 1.639 43.001 42.059 -1.161 0.000 1.238 378 L HN 0.380 nan 8.230 nan 0.000 0.408 379 L N 5.247 126.107 121.223 -0.604 0.000 2.325 379 L HA 0.670 5.009 4.340 -0.002 0.000 0.281 379 L C -0.740 175.921 176.870 -0.347 0.000 1.004 379 L CA -0.127 54.425 54.840 -0.480 0.000 0.823 379 L CB 1.544 43.306 42.059 -0.495 0.000 1.236 379 L HN 0.762 nan 8.230 nan 0.000 0.415 380 D N -0.517 119.730 120.400 -0.254 0.000 2.744 380 D HA 0.282 4.921 4.640 -0.002 0.000 0.304 380 D C 0.271 176.510 176.300 -0.102 0.000 1.179 380 D CA -0.599 53.293 54.000 -0.180 0.000 1.024 380 D CB 0.530 41.208 40.800 -0.203 0.000 1.453 380 D HN 0.181 nan 8.370 nan 0.000 0.529 381 D N -0.638 119.720 120.400 -0.070 0.000 2.170 381 D HA -0.121 4.518 4.640 -0.002 0.000 0.193 381 D C 0.988 177.273 176.300 -0.025 0.000 1.004 381 D CA 2.576 56.554 54.000 -0.037 0.000 0.860 381 D CB -0.424 40.361 40.800 -0.025 0.000 0.931 381 D HN 0.622 nan 8.370 nan 0.000 0.448 382 T N -3.053 111.486 114.554 -0.025 0.000 3.313 382 T HA 0.710 5.059 4.350 -0.002 0.000 0.263 382 T C 0.348 175.041 174.700 -0.012 0.000 0.983 382 T CA -0.239 61.856 62.100 -0.008 0.000 0.963 382 T CB -0.110 68.763 68.868 0.009 0.000 1.141 382 T HN 0.380 nan 8.240 nan 0.000 0.526 383 R N 0.117 120.601 120.500 -0.026 0.000 3.791 383 R HA 0.518 4.856 4.340 -0.002 0.000 0.261 383 R C -2.476 173.810 176.300 -0.023 0.000 0.979 383 R CA -0.946 55.144 56.100 -0.017 0.000 1.020 383 R CB -0.335 29.953 30.300 -0.020 0.000 1.256 383 R HN 0.374 nan 8.270 nan 0.000 0.563 384 F N 2.701 122.544 119.950 -0.179 0.000 2.434 384 F HA 0.665 5.193 4.527 0.001 0.000 0.355 384 F C -0.715 174.955 175.800 -0.218 0.000 1.115 384 F CA -1.664 56.177 58.000 -0.265 0.000 1.010 384 F CB 1.709 40.498 39.000 -0.351 0.000 1.234 384 F HN 0.747 nan 8.300 nan 0.000 0.439 385 D N 4.345 124.788 120.400 0.072 0.000 2.278 385 D HA 0.713 5.351 4.640 -0.002 0.000 0.245 385 D C -1.357 174.988 176.300 0.074 0.000 1.052 385 D CA -0.255 53.791 54.000 0.078 0.000 0.834 385 D CB 1.748 42.552 40.800 0.008 0.000 1.194 385 D HN 0.667 nan 8.370 nan 0.000 0.481 386 A N 2.543 125.460 122.820 0.162 0.000 2.457 386 A HA 0.705 5.023 4.320 -0.002 0.000 0.283 386 A C -0.587 177.099 177.584 0.171 0.000 1.166 386 A CA -0.618 51.522 52.037 0.170 0.000 0.740 386 A CB 1.013 20.212 19.000 0.333 0.000 1.181 386 A HN 0.610 nan 8.150 nan 0.000 0.446 387 A N 2.017 124.930 122.820 0.154 0.000 2.331 387 A HA 0.618 4.937 4.320 -0.002 0.000 0.283 387 A C -0.124 177.499 177.584 0.065 0.000 1.142 387 A CA -0.402 51.706 52.037 0.118 0.000 0.812 387 A CB 0.318 19.405 19.000 0.144 0.000 1.074 387 A HN 1.561 nan 8.150 nan 0.000 0.497 388 L N 3.407 124.659 121.223 0.048 0.000 2.367 388 L HA 0.390 4.729 4.340 -0.002 0.000 0.275 388 L C -0.159 176.714 176.870 0.006 0.000 1.129 388 L CA 0.293 55.139 54.840 0.010 0.000 0.839 388 L CB 1.137 43.178 42.059 -0.030 0.000 1.133 388 L HN 0.381 nan 8.230 nan 0.000 0.453 389 V N 7.581 127.481 119.914 -0.024 0.000 2.338 389 V HA 0.298 4.417 4.120 -0.002 0.000 0.255 389 V C 0.368 176.470 176.094 0.015 0.000 1.082 389 V CA -0.008 62.316 62.300 0.040 0.000 0.951 389 V CB -0.511 31.345 31.823 0.055 0.000 1.102 389 V HN 0.617 nan 8.190 nan 0.000 0.489 390 L N 4.435 125.715 121.223 0.095 0.000 2.341 390 L HA 0.726 5.064 4.340 -0.002 0.000 0.254 390 L C 0.164 177.133 176.870 0.164 0.000 1.040 390 L CA -1.355 53.562 54.840 0.129 0.000 0.837 390 L CB 1.995 44.087 42.059 0.055 0.000 1.425 390 L HN 0.352 nan 8.230 nan 0.000 0.414 391 R N -0.465 120.143 120.500 0.180 0.000 3.422 391 R HA -0.116 4.223 4.340 -0.002 0.000 0.267 391 R C -0.911 175.397 176.300 0.013 0.000 1.074 391 R CA 0.262 56.444 56.100 0.136 0.000 0.718 391 R CB -2.707 27.705 30.300 0.186 0.000 1.157 391 R HN 0.665 nan 8.270 nan 0.000 0.440 392 S N -1.119 114.522 115.700 -0.097 0.000 2.632 392 S HA 0.743 5.211 4.470 -0.002 0.000 0.289 392 S C -0.586 173.566 174.600 -0.748 0.000 1.115 392 S CA -0.432 57.502 58.200 -0.444 0.000 0.889 392 S CB 3.352 66.331 63.200 -0.368 0.000 1.116 392 S HN 0.164 nan 8.310 nan 0.000 0.486 393 V N 2.023 121.381 119.914 -0.927 0.000 2.769 393 V HA 0.833 4.951 4.120 -0.002 0.000 0.312 393 V C -2.117 173.322 176.094 -1.091 0.000 1.061 393 V CA -0.632 61.147 62.300 -0.869 0.000 0.931 393 V CB 1.331 32.932 31.823 -0.370 0.000 1.010 393 V HN 0.766 nan 8.190 nan 0.000 0.433 394 F N 4.204 123.857 119.950 -0.496 0.000 2.565 394 F HA 0.760 5.286 4.527 -0.003 0.000 0.313 394 F C -0.094 175.566 175.800 -0.232 0.000 1.091 394 F CA -0.500 57.189 58.000 -0.518 0.000 0.915 394 F CB 2.161 40.242 39.000 -1.532 0.000 1.208 394 F HN 0.613 nan 8.300 nan 0.000 0.453 395 Q N 0.974 120.972 119.800 0.330 0.000 2.320 395 Q HA 0.653 4.992 4.340 -0.002 0.000 0.272 395 Q C -2.260 174.009 176.000 0.448 0.000 1.023 395 Q CA -0.945 55.097 55.803 0.398 0.000 0.855 395 Q CB 3.205 32.085 28.738 0.236 0.000 1.367 395 Q HN 0.664 nan 8.270 nan 0.000 0.406 396 D N 0.766 121.448 120.400 0.470 0.000 2.904 396 D HA 0.245 4.883 4.640 -0.002 0.000 0.290 396 D C 0.543 176.976 176.300 0.220 0.000 1.180 396 D CA -0.023 54.159 54.000 0.305 0.000 1.065 396 D CB 0.206 41.228 40.800 0.370 0.000 1.386 396 D HN 0.467 nan 8.370 nan 0.000 0.599 397 S N -1.719 114.073 115.700 0.154 0.000 2.522 397 S HA -0.084 4.384 4.470 -0.002 0.000 0.227 397 S C 1.120 175.796 174.600 0.126 0.000 0.986 397 S CA 0.812 59.080 58.200 0.114 0.000 0.929 397 S CB -0.439 62.805 63.200 0.073 0.000 0.769 397 S HN 0.502 nan 8.310 nan 0.000 0.529 398 Q N -0.126 119.775 119.800 0.169 0.000 2.471 398 Q HA 0.362 4.700 4.340 -0.002 0.000 0.241 398 Q C 0.331 176.424 176.000 0.156 0.000 0.886 398 Q CA 0.176 56.063 55.803 0.140 0.000 0.953 398 Q CB 0.641 29.454 28.738 0.124 0.000 1.108 398 Q HN 0.361 nan 8.270 nan 0.000 0.575 399 R N -0.310 120.344 120.500 0.256 0.000 2.744 399 R HA 0.575 4.913 4.340 -0.002 0.000 0.279 399 R C -1.566 175.038 176.300 0.508 0.000 0.977 399 R CA -0.559 55.718 56.100 0.295 0.000 0.906 399 R CB 2.331 32.703 30.300 0.121 0.000 1.197 399 R HN 0.023 nan 8.270 nan 0.000 0.463 400 C N 2.328 121.911 119.300 0.472 0.000 2.383 400 C HA 0.600 5.059 4.460 -0.002 0.000 0.330 400 C C -1.232 174.064 174.990 0.510 0.000 1.168 400 C CA -0.986 58.306 59.018 0.457 0.000 1.374 400 C CB -0.321 27.570 27.740 0.252 0.000 2.014 400 C HN 0.998 nan 8.230 nan 0.000 0.439 401 W N 3.998 125.395 121.300 0.162 0.000 3.137 401 W HA 0.837 5.495 4.660 -0.004 0.000 0.324 401 W C -1.433 175.182 176.519 0.160 0.000 1.253 401 W CA -1.241 56.184 57.345 0.133 0.000 1.183 401 W CB 0.450 29.970 29.460 0.100 0.000 1.424 401 W HN 0.668 nan 8.180 nan 0.000 0.566 402 I N 0.605 121.271 120.570 0.158 0.000 2.750 402 I HA 0.748 4.917 4.170 -0.002 0.000 0.308 402 I C -0.872 175.330 176.117 0.141 0.000 1.016 402 I CA -1.239 60.070 61.300 0.016 0.000 1.098 402 I CB 2.067 40.058 38.000 -0.015 0.000 1.279 402 I HN 0.732 nan 8.210 nan 0.000 0.454 403 Q N 2.536 122.378 119.800 0.070 0.000 2.340 403 Q HA 0.819 5.158 4.340 -0.002 0.000 0.276 403 Q C -1.951 173.949 176.000 -0.167 0.000 1.048 403 Q CA -0.659 55.075 55.803 -0.116 0.000 0.832 403 Q CB 2.605 31.115 28.738 -0.380 0.000 1.373 403 Q HN 1.053 nan 8.270 nan 0.000 0.409 404 A N 1.421 124.117 122.820 -0.206 0.000 2.594 404 A HA 0.958 5.277 4.320 -0.002 0.000 0.295 404 A C -1.019 176.544 177.584 -0.035 0.000 1.071 404 A CA 0.009 52.037 52.037 -0.015 0.000 0.685 404 A CB 1.858 20.874 19.000 0.027 0.000 1.285 404 A HN 0.811 nan 8.150 nan 0.000 0.405 405 G N -1.045 107.835 108.800 0.134 0.000 2.866 405 G HA2 0.905 4.864 3.960 -0.002 0.000 0.289 405 G HA3 0.905 4.864 3.960 -0.002 0.000 0.289 405 G C -0.834 174.164 174.900 0.163 0.000 1.396 405 G CA -0.023 45.169 45.100 0.153 0.000 0.848 405 G HN 2.020 nan 8.290 nan 0.000 0.515 406 A N -1.191 121.750 122.820 0.202 0.000 2.486 406 A HA 0.803 5.121 4.320 -0.002 0.000 0.300 406 A C 0.073 177.737 177.584 0.134 0.000 1.048 406 A CA 0.006 52.144 52.037 0.168 0.000 0.696 406 A CB 1.570 20.690 19.000 0.199 0.000 1.278 406 A HN 1.783 nan 8.150 nan 0.000 0.405 407 G N 1.634 110.493 108.800 0.098 0.000 2.358 407 G HA2 0.491 4.450 3.960 -0.002 0.000 0.273 407 G HA3 0.491 4.450 3.960 -0.002 0.000 0.273 407 G C -0.226 174.721 174.900 0.079 0.000 1.215 407 G CA -0.110 45.035 45.100 0.075 0.000 0.910 407 G HN 0.486 nan 8.290 nan 0.000 0.467 408 I N 3.814 124.431 120.570 0.078 0.000 2.336 408 I HA 0.441 4.610 4.170 -0.002 0.000 0.292 408 I C 0.640 176.801 176.117 0.074 0.000 0.991 408 I CA -0.839 60.503 61.300 0.071 0.000 1.227 408 I CB 0.874 38.913 38.000 0.065 0.000 1.366 408 I HN 0.509 nan 8.210 nan 0.000 0.466 409 I N 1.673 122.274 120.570 0.053 0.000 3.294 409 I HA 0.748 4.916 4.170 -0.002 0.000 0.311 409 I C 1.215 177.342 176.117 0.016 0.000 1.111 409 I CA -0.979 60.345 61.300 0.040 0.000 0.976 409 I CB 1.784 39.807 38.000 0.037 0.000 1.260 409 I HN 0.420 nan 8.210 nan 0.000 0.474 410 A N 0.646 123.466 122.820 0.000 0.000 1.978 410 A HA -0.170 4.148 4.320 -0.002 0.000 0.220 410 A C 1.891 179.472 177.584 -0.006 0.000 1.170 410 A CA 1.870 53.898 52.037 -0.016 0.000 0.636 410 A CB -0.893 18.093 19.000 -0.023 0.000 0.810 410 A HN 0.854 nan 8.150 nan 0.000 0.448 411 Q N 0.396 120.199 119.800 0.006 0.000 2.403 411 Q HA 0.196 4.535 4.340 -0.002 0.000 0.203 411 Q C 0.469 176.478 176.000 0.016 0.000 0.932 411 Q CA 0.121 55.930 55.803 0.010 0.000 0.945 411 Q CB 0.120 28.867 28.738 0.015 0.000 1.045 411 Q HN 0.511 nan 8.270 nan 0.000 0.511 412 S N 0.435 116.146 115.700 0.018 0.000 2.579 412 S HA 0.232 4.701 4.470 -0.002 0.000 0.275 412 S C 0.052 174.663 174.600 0.017 0.000 1.345 412 S CA -0.106 58.109 58.200 0.025 0.000 1.031 412 S CB 0.848 64.065 63.200 0.029 0.000 0.892 412 S HN 0.098 nan 8.310 nan 0.000 0.529 413 T N 4.241 118.810 114.554 0.025 0.000 2.786 413 T HA 0.305 4.654 4.350 -0.002 0.000 0.283 413 T C -1.892 172.824 174.700 0.028 0.000 0.992 413 T CA -1.313 60.800 62.100 0.022 0.000 0.954 413 T CB 1.648 70.532 68.868 0.027 0.000 0.934 413 T HN 0.250 nan 8.240 nan 0.000 0.440 414 P HA -0.169 nan 4.420 nan 0.000 0.217 414 P C 1.449 178.783 177.300 0.058 0.000 1.151 414 P CA 0.927 64.035 63.100 0.013 0.000 0.849 414 P CB 0.402 32.094 31.700 -0.014 0.000 0.787 415 E N -0.605 119.626 120.200 0.052 0.000 2.072 415 E HA -0.208 4.141 4.350 -0.002 0.000 0.191 415 E C 2.141 178.786 176.600 0.074 0.000 0.985 415 E CA 1.101 57.539 56.400 0.064 0.000 0.801 415 E CB -0.512 29.215 29.700 0.045 0.000 0.750 415 E HN -0.155 nan 8.360 nan 0.000 0.452 416 R N 0.849 121.389 120.500 0.066 0.000 2.081 416 R HA -0.106 4.232 4.340 -0.002 0.000 0.235 416 R C 1.824 178.182 176.300 0.097 0.000 1.131 416 R CA 1.772 57.914 56.100 0.069 0.000 0.960 416 R CB -0.403 29.932 30.300 0.058 0.000 0.856 416 R HN 0.163 nan 8.270 nan 0.000 0.436 417 E N 0.325 120.599 120.200 0.123 0.000 2.106 417 E HA -0.154 4.195 4.350 -0.002 0.000 0.192 417 E C 1.909 178.668 176.600 0.265 0.000 0.984 417 E CA 0.885 57.397 56.400 0.187 0.000 0.806 417 E CB -0.497 29.314 29.700 0.184 0.000 0.750 417 E HN 0.252 nan 8.360 nan 0.000 0.458 418 L N 1.478 122.868 121.223 0.279 0.000 1.989 418 L HA -0.159 4.179 4.340 -0.002 0.000 0.211 418 L C 2.170 179.079 176.870 0.065 0.000 1.071 418 L CA 2.103 57.067 54.840 0.207 0.000 0.749 418 L CB -1.163 41.020 42.059 0.205 0.000 0.890 418 L HN 0.028 nan 8.230 nan 0.000 0.431 419 T N -0.636 113.961 114.554 0.072 0.000 2.665 419 T HA -0.286 4.062 4.350 -0.002 0.000 0.268 419 T C 1.753 176.478 174.700 0.042 0.000 1.035 419 T CA 1.783 63.910 62.100 0.045 0.000 1.151 419 T CB -0.314 68.583 68.868 0.049 0.000 0.862 419 T HN 0.515 nan 8.240 nan 0.000 0.438 420 E N 0.529 120.767 120.200 0.064 0.000 2.085 420 E HA -0.203 4.145 4.350 -0.002 0.000 0.194 420 E C 2.399 179.030 176.600 0.051 0.000 0.994 420 E CA 1.760 58.202 56.400 0.070 0.000 0.801 420 E CB -0.151 29.608 29.700 0.099 0.000 0.743 420 E HN 0.708 nan 8.360 nan 0.000 0.453 421 T N -1.256 113.305 114.554 0.011 0.000 2.788 421 T HA -0.157 4.192 4.350 -0.002 0.000 0.268 421 T C 1.864 176.537 174.700 -0.044 0.000 1.044 421 T CA 1.195 63.261 62.100 -0.056 0.000 1.139 421 T CB -0.354 68.361 68.868 -0.254 0.000 0.867 421 T HN 0.161 nan 8.240 nan 0.000 0.454 422 R N 1.240 121.716 120.500 -0.041 0.000 2.092 422 R HA 0.003 4.341 4.340 -0.002 0.000 0.231 422 R C 2.720 179.019 176.300 -0.002 0.000 1.119 422 R CA 1.607 57.691 56.100 -0.027 0.000 0.970 422 R CB -0.290 29.995 30.300 -0.025 0.000 0.864 422 R HN 0.619 nan 8.270 nan 0.000 0.440 423 E N 0.960 121.170 120.200 0.016 0.000 2.085 423 E HA -0.206 4.143 4.350 -0.002 0.000 0.194 423 E C 1.888 178.515 176.600 0.044 0.000 0.994 423 E CA 1.338 57.755 56.400 0.029 0.000 0.801 423 E CB 0.008 29.730 29.700 0.037 0.000 0.743 423 E HN 0.291 nan 8.360 nan 0.000 0.453 424 K N 0.592 121.030 120.400 0.063 0.000 2.057 424 K HA -0.093 4.226 4.320 -0.002 0.000 0.206 424 K C 2.185 178.831 176.600 0.077 0.000 1.050 424 K CA 0.896 57.241 56.287 0.096 0.000 0.935 424 K CB -0.113 32.460 32.500 0.122 0.000 0.715 424 K HN 0.070 nan 8.250 nan 0.000 0.439 425 L N 0.576 121.823 121.223 0.040 0.000 2.131 425 L HA -0.159 4.180 4.340 -0.002 0.000 0.210 425 L C 2.374 179.257 176.870 0.022 0.000 1.092 425 L CA 0.839 55.693 54.840 0.025 0.000 0.759 425 L CB -0.508 41.545 42.059 -0.010 0.000 0.903 425 L HN 0.215 nan 8.230 nan 0.000 0.435 426 A N -1.088 121.740 122.820 0.014 0.000 2.178 426 A HA -0.204 4.114 4.320 -0.002 0.000 0.218 426 A C 2.470 180.093 177.584 0.066 0.000 1.157 426 A CA 1.661 53.697 52.037 -0.001 0.000 0.689 426 A CB -0.491 18.504 19.000 -0.008 0.000 0.787 426 A HN 0.382 nan 8.150 nan 0.000 0.465 427 S N -1.587 114.176 115.700 0.105 0.000 2.481 427 S HA 0.029 4.497 4.470 -0.002 0.000 0.231 427 S C 1.455 176.201 174.600 0.244 0.000 0.996 427 S CA 1.338 59.631 58.200 0.155 0.000 0.942 427 S CB -0.244 63.035 63.200 0.131 0.000 0.768 427 S HN 0.635 nan 8.310 nan 0.000 0.520 428 I N -0.831 119.863 120.570 0.207 0.000 4.578 428 I HA 0.415 4.584 4.170 -0.002 0.000 0.312 428 I C 1.955 178.133 176.117 0.101 0.000 1.224 428 I CA 0.720 62.173 61.300 0.254 0.000 1.318 428 I CB -0.309 37.803 38.000 0.187 0.000 1.388 428 I HN 0.142 nan 8.210 nan 0.000 0.461 429 A N 2.180 124.993 122.820 -0.012 0.000 1.917 429 A HA -0.085 4.233 4.320 -0.002 0.000 0.219 429 A C -0.416 177.046 177.584 -0.204 0.000 1.182 429 A CA 2.227 54.218 52.037 -0.077 0.000 0.633 429 A CB -2.145 16.817 19.000 -0.064 0.000 0.819 429 A HN 0.416 nan 8.150 nan 0.000 0.448 430 P HA -0.053 nan 4.420 nan 0.000 0.234 430 P C -0.081 176.742 177.300 -0.796 0.000 1.167 430 P CA 0.873 63.534 63.100 -0.732 0.000 0.763 430 P CB -0.099 30.929 31.700 -1.119 0.000 0.835 431 Y N -1.994 118.250 120.300 -0.094 0.000 2.557 431 Y HA 0.280 4.828 4.550 -0.003 0.000 0.247 431 Y C 0.763 176.735 175.900 0.119 0.000 1.164 431 Y CA -0.742 57.286 58.100 -0.121 0.000 1.218 431 Y CB -0.505 37.728 38.460 -0.379 0.000 1.210 431 Y HN -0.202 nan 8.280 nan 0.000 0.529 432 L N 2.540 123.844 121.223 0.135 0.000 2.361 432 L HA 0.209 4.548 4.340 -0.002 0.000 0.278 432 L C -0.130 176.817 176.870 0.129 0.000 1.113 432 L CA 0.241 55.149 54.840 0.113 0.000 0.849 432 L CB 0.264 42.353 42.059 0.050 0.000 1.155 432 L HN 0.108 nan 8.230 nan 0.000 0.452 433 M N 4.187 123.864 119.600 0.129 0.000 2.364 433 M HA 0.545 5.024 4.480 -0.002 0.000 0.334 433 M C 0.124 176.460 176.300 0.061 0.000 1.107 433 M CA -0.411 54.950 55.300 0.101 0.000 0.988 433 M CB 1.663 34.328 32.600 0.109 0.000 1.673 433 M HN 0.378 nan 8.290 nan 0.000 0.441 434 V N 0.000 119.939 119.914 0.041 0.000 2.409 434 V HA 0.000 4.119 4.120 -0.002 0.000 0.244 434 V CA 0.000 62.319 62.300 0.032 0.000 1.235 434 V CB 0.000 31.840 31.823 0.028 0.000 1.184 434 V HN 0.000 nan 8.190 nan 0.000 0.556