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 2o3j_1_B DATA FIRST_RESID 6 DATA SEQUENCE FGKVSKVVCV GAGYVGGPTC AMIAHKCPHI TVTVVDMNTA KIAEWNSDKL DATA SEQUENCE PIYEPGLDEI VFAARGRNLF FSSDIPKAIA EADLIFISVN TPTKMYGRGK DATA SEQUENCE GMAPDLKYVE SVSRTIAQYA GGPKIVVEKS TVPVKAAESI GCILREAQKX DATA SEQUENCE XXXLKFQVLS NPEFLAEGTA MKDLANPDRV LIGGESSPEG LQAVAELVRI DATA SEQUENCE YENWVPRNRI ITTNTWSSEL SKLVANAFLA QRISSINSIS AVCEATGAEI DATA SEQUENCE SEVAHAVGYD TRIGSKFLQA SVGFGGSCFQ KDVLSLVYLC ESLNLPQVAD DATA SEQUENCE YWQGVININN WQRRRFADKI IAELFNTVTD KKIAIFGFAF KKNTGDTRES DATA SEQUENCE SAIHVIKHLM EEHAKLSVYD PKVQKSQMLN DLASVTSAQD VERLITVESD DATA SEQUENCE PYAAARGAHA IVVLTEWDEF VELNYSQIHN DMQHPAAIFD GRLILDQKAL DATA SEQUENCE REIGFRTFAI GTSPDQ VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 6 F HA 0.000 nan 4.527 nan 0.000 0.279 6 F C 0.000 175.783 175.800 -0.029 0.000 0.967 6 F CA 0.000 57.977 58.000 -0.038 0.000 1.383 6 F CB 0.000 38.979 39.000 -0.036 0.000 1.145 7 G N 1.721 110.602 108.800 0.135 0.000 2.634 7 G HA2 0.315 4.275 3.960 -0.000 0.000 0.255 7 G HA3 0.315 4.275 3.960 -0.000 0.000 0.255 7 G C -0.351 174.597 174.900 0.079 0.000 1.205 7 G CA -0.799 44.347 45.100 0.076 0.000 0.884 7 G HN 0.574 nan 8.290 nan 0.000 0.549 8 K N -0.412 120.020 120.400 0.052 0.000 2.504 8 K HA 0.052 4.372 4.320 -0.000 0.000 0.278 8 K C 0.177 176.808 176.600 0.052 0.000 1.025 8 K CA -0.062 56.254 56.287 0.048 0.000 1.093 8 K CB 0.380 32.903 32.500 0.039 0.000 0.873 8 K HN 0.115 nan 8.250 nan 0.000 0.483 9 V N 3.219 123.160 119.914 0.044 0.000 2.614 9 V HA -0.017 4.103 4.120 -0.000 0.000 0.291 9 V C 1.191 177.312 176.094 0.045 0.000 1.049 9 V CA 0.594 62.909 62.300 0.026 0.000 1.038 9 V CB 1.404 33.216 31.823 -0.018 0.000 0.980 9 V HN 1.025 nan 8.190 nan 0.000 0.481 10 S N 3.010 118.728 115.700 0.029 0.000 2.691 10 S HA 0.303 4.773 4.470 -0.000 0.000 0.258 10 S C 0.353 174.953 174.600 -0.000 0.000 1.078 10 S CA -0.431 57.790 58.200 0.034 0.000 1.000 10 S CB 0.314 63.544 63.200 0.050 0.000 0.942 10 S HN 0.595 nan 8.310 nan 0.000 0.521 11 K N 1.652 122.047 120.400 -0.008 0.000 2.307 11 K HA 0.701 5.020 4.320 -0.000 0.000 0.263 11 K C -1.668 174.914 176.600 -0.029 0.000 0.973 11 K CA -0.519 55.756 56.287 -0.020 0.000 0.846 11 K CB 2.343 34.830 32.500 -0.022 0.000 1.100 11 K HN 0.092 nan 8.250 nan 0.000 0.438 12 V N 3.819 123.718 119.914 -0.024 0.000 2.448 12 V HA 0.367 4.487 4.120 -0.000 0.000 0.295 12 V C -0.420 175.677 176.094 0.006 0.000 1.025 12 V CA -0.891 61.402 62.300 -0.013 0.000 0.859 12 V CB 1.829 33.675 31.823 0.037 0.000 0.988 12 V HN 0.446 nan 8.190 nan 0.000 0.431 13 V N 3.746 123.666 119.914 0.010 0.000 2.581 13 V HA 0.461 4.581 4.120 -0.000 0.000 0.303 13 V C -0.314 175.846 176.094 0.110 0.000 1.041 13 V CA -0.541 61.774 62.300 0.025 0.000 0.907 13 V CB 1.942 33.765 31.823 0.001 0.000 0.994 13 V HN 0.985 nan 8.190 nan 0.000 0.442 14 C N 5.261 124.611 119.300 0.083 0.000 2.319 14 C HA 0.673 5.133 4.460 -0.000 0.000 0.323 14 C C -0.164 174.849 174.990 0.039 0.000 1.277 14 C CA -0.453 58.634 59.018 0.115 0.000 1.517 14 C CB 0.392 28.160 27.740 0.047 0.000 2.206 14 C HN 0.693 nan 8.230 nan 0.000 0.486 15 V N 6.108 126.057 119.914 0.059 0.000 2.389 15 V HA 0.721 4.841 4.120 -0.000 0.000 0.264 15 V C 0.830 176.941 176.094 0.027 0.000 1.049 15 V CA 0.946 63.266 62.300 0.034 0.000 0.932 15 V CB 0.210 32.057 31.823 0.040 0.000 1.011 15 V HN 1.421 nan 8.190 nan 0.000 0.475 16 G N 3.978 112.785 108.800 0.010 0.000 3.393 16 G HA2 0.306 4.266 3.960 -0.000 0.000 0.676 16 G HA3 0.306 4.266 3.960 -0.000 0.000 0.676 16 G C -0.223 174.681 174.900 0.006 0.000 1.224 16 G CA -0.351 44.755 45.100 0.009 0.000 1.109 16 G HN 1.349 nan 8.290 nan 0.000 0.519 17 A N 1.481 124.327 122.820 0.042 0.000 3.012 17 A HA 0.779 5.099 4.320 -0.000 0.000 0.295 17 A C 1.331 179.065 177.584 0.249 0.000 1.338 17 A CA 1.130 53.202 52.037 0.057 0.000 0.981 17 A CB -0.179 18.881 19.000 0.100 0.000 1.091 17 A HN 1.948 nan 8.150 nan 0.000 0.602 18 G N -1.891 107.007 108.800 0.164 0.000 2.857 18 G HA2 0.354 4.314 3.960 -0.000 0.000 0.217 18 G HA3 0.354 4.314 3.960 -0.000 0.000 0.217 18 G C 0.495 175.517 174.900 0.203 0.000 1.357 18 G CA -0.339 44.884 45.100 0.205 0.000 1.033 18 G HN 0.223 nan 8.290 nan 0.000 0.571 19 Y N -0.920 119.449 120.300 0.114 0.000 2.333 19 Y HA -0.101 4.449 4.550 -0.000 0.000 0.290 19 Y C 2.792 178.725 175.900 0.055 0.000 1.144 19 Y CA 1.442 59.597 58.100 0.093 0.000 1.228 19 Y CB 0.239 38.729 38.460 0.050 0.000 0.985 19 Y HN 0.065 nan 8.280 nan 0.000 0.542 20 V N -1.750 118.265 119.914 0.168 0.000 2.341 20 V HA -0.077 4.043 4.120 -0.000 0.000 0.240 20 V C 2.450 178.529 176.094 -0.024 0.000 1.035 20 V CA 1.597 63.935 62.300 0.065 0.000 1.033 20 V CB -1.262 30.572 31.823 0.018 0.000 0.678 20 V HN 0.427 nan 8.190 nan 0.000 0.464 21 G N 0.295 109.069 108.800 -0.043 0.000 2.421 21 G HA2 -0.119 3.841 3.960 -0.000 0.000 0.216 21 G HA3 -0.119 3.841 3.960 -0.000 0.000 0.216 21 G C 1.624 176.413 174.900 -0.184 0.000 1.171 21 G CA 1.067 46.092 45.100 -0.125 0.000 0.775 21 G HN 0.570 nan 8.290 nan 0.000 0.543 22 G N 1.902 110.590 108.800 -0.186 0.000 2.721 22 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.218 22 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.218 22 G C 0.106 174.868 174.900 -0.230 0.000 1.265 22 G CA 1.517 46.386 45.100 -0.385 0.000 0.796 22 G HN 0.408 nan 8.290 nan 0.000 0.620 23 P HA -0.061 nan 4.420 nan 0.000 0.216 23 P C 2.118 179.361 177.300 -0.094 0.000 1.153 23 P CA 2.100 65.162 63.100 -0.064 0.000 0.858 23 P CB -0.268 31.418 31.700 -0.023 0.000 0.789 24 T N -1.462 113.027 114.554 -0.108 0.000 2.708 24 T HA -0.161 4.189 4.350 -0.000 0.000 0.266 24 T C 1.889 176.482 174.700 -0.179 0.000 1.037 24 T CA 1.397 63.423 62.100 -0.123 0.000 1.146 24 T CB -1.321 67.424 68.868 -0.204 0.000 0.865 24 T HN 0.140 nan 8.240 nan 0.000 0.435 25 C N 1.628 120.788 119.300 -0.234 0.000 2.429 25 C HA 0.051 4.511 4.460 -0.000 0.000 0.277 25 C C 3.223 178.080 174.990 -0.222 0.000 1.262 25 C CA 0.365 59.244 59.018 -0.231 0.000 1.733 25 C CB -1.446 26.129 27.740 -0.274 0.000 2.010 25 C HN 0.663 nan 8.230 nan 0.000 0.483 26 A N -0.188 122.507 122.820 -0.208 0.000 1.908 26 A HA -0.262 4.058 4.320 -0.000 0.000 0.218 26 A C 2.054 179.536 177.584 -0.170 0.000 1.181 26 A CA 2.321 54.257 52.037 -0.169 0.000 0.627 26 A CB -0.613 18.317 19.000 -0.117 0.000 0.818 26 A HN 0.504 nan 8.150 nan 0.000 0.445 27 M N -0.149 119.334 119.600 -0.195 0.000 2.175 27 M HA 0.014 4.494 4.480 -0.000 0.000 0.264 27 M C 1.786 177.808 176.300 -0.464 0.000 1.063 27 M CA 1.355 56.477 55.300 -0.296 0.000 1.119 27 M CB -0.615 31.824 32.600 -0.269 0.000 1.377 27 M HN 0.422 nan 8.290 nan 0.000 0.415 28 I N -0.469 119.902 120.570 -0.331 0.000 2.133 28 I HA -0.249 3.921 4.170 -0.000 0.000 0.238 28 I C 2.398 178.366 176.117 -0.249 0.000 1.074 28 I CA 1.140 62.270 61.300 -0.284 0.000 1.342 28 I CB -0.885 37.059 38.000 -0.095 0.000 1.053 28 I HN 0.343 nan 8.210 nan 0.000 0.404 29 A N 0.370 123.071 122.820 -0.199 0.000 1.903 29 A HA -0.369 3.951 4.320 -0.000 0.000 0.219 29 A C 2.200 179.690 177.584 -0.158 0.000 1.191 29 A CA 2.647 54.578 52.037 -0.177 0.000 0.638 29 A CB -1.226 17.664 19.000 -0.185 0.000 0.823 29 A HN 0.611 nan 8.150 nan 0.000 0.451 30 H N -0.319 118.598 119.070 -0.255 0.000 2.321 30 H HA -0.023 4.533 4.556 -0.000 0.000 0.300 30 H C 1.673 176.857 175.328 -0.240 0.000 1.087 30 H CA 2.090 57.998 56.048 -0.233 0.000 1.319 30 H CB 0.070 29.683 29.762 -0.248 0.000 1.379 30 H HN 0.273 nan 8.280 nan 0.000 0.501 31 K N -0.468 119.649 120.400 -0.471 0.000 2.400 31 K HA 0.126 4.446 4.320 -0.000 0.000 0.194 31 K C -0.006 176.482 176.600 -0.187 0.000 1.033 31 K CA 0.363 56.386 56.287 -0.440 0.000 1.021 31 K CB 0.237 32.377 32.500 -0.600 0.000 0.808 31 K HN 0.241 nan 8.250 nan 0.000 0.505 32 C N 2.899 122.081 119.300 -0.196 0.000 3.003 32 C HA 0.245 4.704 4.460 -0.000 0.000 0.241 32 C C -1.417 173.416 174.990 -0.262 0.000 1.224 32 C CA -1.347 57.556 59.018 -0.192 0.000 1.560 32 C CB 0.752 28.331 27.740 -0.268 0.000 1.768 32 C HN 0.168 nan 8.230 nan 0.000 0.440 33 P HA -0.183 nan 4.420 nan 0.000 0.219 33 P C 1.024 178.318 177.300 -0.010 0.000 1.146 33 P CA 1.730 64.805 63.100 -0.043 0.000 0.808 33 P CB -0.115 31.592 31.700 0.012 0.000 0.779 34 H N -1.751 117.311 119.070 -0.012 0.000 2.495 34 H HA 0.168 4.724 4.556 -0.000 0.000 0.287 34 H C 0.974 176.306 175.328 0.007 0.000 1.033 34 H CA -0.109 55.939 56.048 0.000 0.000 1.307 34 H CB -0.925 28.839 29.762 0.002 0.000 1.401 34 H HN 0.084 nan 8.280 nan 0.000 0.555 35 I N 2.330 122.685 120.570 -0.359 0.000 2.365 35 I HA 0.108 4.278 4.170 -0.000 0.000 0.291 35 I C -0.154 175.907 176.117 -0.093 0.000 1.004 35 I CA -0.554 60.616 61.300 -0.216 0.000 1.311 35 I CB 1.657 39.482 38.000 -0.293 0.000 1.401 35 I HN 0.156 nan 8.210 nan 0.000 0.491 36 T N 6.214 120.756 114.554 -0.021 0.000 2.737 36 T HA 0.298 4.648 4.350 -0.000 0.000 0.296 36 T C -0.033 174.678 174.700 0.019 0.000 0.922 36 T CA -0.356 61.772 62.100 0.046 0.000 1.079 36 T CB 0.613 69.510 68.868 0.049 0.000 0.892 36 T HN 0.217 nan 8.240 nan 0.000 0.514 37 V N 4.497 124.421 119.914 0.017 0.000 2.384 37 V HA 0.478 4.598 4.120 -0.000 0.000 0.287 37 V C 0.294 176.351 176.094 -0.062 0.000 1.020 37 V CA -0.777 61.493 62.300 -0.051 0.000 0.850 37 V CB 1.650 33.394 31.823 -0.132 0.000 0.987 37 V HN 0.901 nan 8.190 nan 0.000 0.436 38 T N 4.224 118.732 114.554 -0.076 0.000 2.809 38 T HA 0.536 4.886 4.350 -0.000 0.000 0.284 38 T C -0.359 174.239 174.700 -0.169 0.000 0.992 38 T CA -0.421 61.612 62.100 -0.111 0.000 0.957 38 T CB 1.641 70.478 68.868 -0.052 0.000 0.942 38 T HN 0.345 nan 8.240 nan 0.000 0.439 39 V N 4.534 124.268 119.914 -0.299 0.000 2.370 39 V HA 0.626 4.746 4.120 -0.000 0.000 0.279 39 V C 0.274 176.317 176.094 -0.085 0.000 1.029 39 V CA -0.745 61.419 62.300 -0.227 0.000 0.870 39 V CB 1.080 32.679 31.823 -0.374 0.000 0.984 39 V HN 0.796 nan 8.190 nan 0.000 0.451 40 V N 1.000 120.892 119.914 -0.037 0.000 2.864 40 V HA 0.846 4.966 4.120 -0.000 0.000 0.314 40 V C -0.949 175.155 176.094 0.016 0.000 1.073 40 V CA -0.519 61.782 62.300 0.002 0.000 0.956 40 V CB 2.251 34.069 31.823 -0.008 0.000 1.023 40 V HN 0.831 nan 8.190 nan 0.000 0.435 41 D N 3.420 123.839 120.400 0.032 0.000 2.886 41 D HA 0.273 4.913 4.640 -0.000 0.000 0.216 41 D C 0.899 177.216 176.300 0.028 0.000 1.256 41 D CA -0.460 53.560 54.000 0.032 0.000 0.844 41 D CB 2.250 43.088 40.800 0.063 0.000 1.669 41 D HN 0.659 nan 8.370 nan 0.000 0.513 42 M N 0.796 120.402 119.600 0.011 0.000 2.337 42 M HA -0.087 4.393 4.480 -0.000 0.000 0.261 42 M C 0.569 176.880 176.300 0.019 0.000 1.067 42 M CA 1.176 56.483 55.300 0.011 0.000 1.074 42 M CB -1.001 31.599 32.600 -0.000 0.000 1.395 42 M HN 0.092 nan 8.290 nan 0.000 0.431 43 N N 2.805 121.521 118.700 0.026 0.000 2.482 43 N HA 0.086 4.826 4.740 -0.000 0.000 0.242 43 N C 0.795 176.336 175.510 0.051 0.000 1.100 43 N CA 0.368 53.437 53.050 0.033 0.000 0.946 43 N CB 0.885 39.392 38.487 0.033 0.000 1.227 43 N HN 0.345 nan 8.380 nan 0.000 0.508 44 T N 0.198 114.777 114.554 0.042 0.000 2.867 44 T HA -0.081 4.269 4.350 -0.000 0.000 0.268 44 T C 1.809 176.538 174.700 0.050 0.000 1.057 44 T CA 0.977 63.106 62.100 0.049 0.000 1.136 44 T CB -0.090 68.801 68.868 0.037 0.000 0.874 44 T HN 0.332 nan 8.240 nan 0.000 0.466 45 A N 2.024 124.864 122.820 0.034 0.000 1.933 45 A HA -0.048 4.272 4.320 -0.000 0.000 0.218 45 A C 2.342 179.936 177.584 0.016 0.000 1.175 45 A CA 2.041 54.090 52.037 0.019 0.000 0.628 45 A CB -0.674 18.331 19.000 0.008 0.000 0.814 45 A HN 0.515 nan 8.150 nan 0.000 0.444 46 K N -0.203 120.221 120.400 0.039 0.000 2.062 46 K HA 0.008 4.328 4.320 -0.000 0.000 0.205 46 K C 1.641 178.334 176.600 0.155 0.000 1.051 46 K CA 1.202 57.522 56.287 0.054 0.000 0.941 46 K CB -0.257 32.306 32.500 0.106 0.000 0.719 46 K HN 0.344 nan 8.250 nan 0.000 0.440 47 I N 1.141 121.825 120.570 0.190 0.000 2.315 47 I HA -0.174 3.996 4.170 -0.000 0.000 0.248 47 I C 2.251 178.463 176.117 0.158 0.000 1.117 47 I CA 1.402 62.845 61.300 0.238 0.000 1.404 47 I CB -1.426 36.685 38.000 0.184 0.000 1.071 47 I HN 0.248 nan 8.210 nan 0.000 0.419 48 A N 0.811 123.684 122.820 0.088 0.000 1.865 48 A HA -0.236 4.084 4.320 -0.000 0.000 0.217 48 A C 2.243 179.830 177.584 0.005 0.000 1.191 48 A CA 1.772 53.838 52.037 0.049 0.000 0.623 48 A CB -0.743 18.274 19.000 0.028 0.000 0.826 48 A HN 0.464 nan 8.150 nan 0.000 0.444 49 E N -1.496 118.671 120.200 -0.056 0.000 2.097 49 E HA -0.270 4.080 4.350 -0.000 0.000 0.196 49 E C 1.808 178.262 176.600 -0.242 0.000 1.000 49 E CA 1.520 57.819 56.400 -0.167 0.000 0.804 49 E CB -0.270 29.267 29.700 -0.270 0.000 0.740 49 E HN 0.876 nan 8.360 nan 0.000 0.454 50 W N 0.873 121.995 121.300 -0.297 0.000 2.425 50 W HA -0.057 4.602 4.660 -0.000 0.000 0.277 50 W C 1.780 177.990 176.519 -0.516 0.000 1.231 50 W CA 0.120 57.081 57.345 -0.640 0.000 1.248 50 W CB 0.134 28.941 29.460 -1.087 0.000 1.117 50 W HN -0.008 nan 8.180 nan 0.000 0.568 51 N N -0.120 118.586 118.700 0.010 0.000 2.336 51 N HA -0.010 4.730 4.740 -0.000 0.000 0.189 51 N C 0.632 176.206 175.510 0.107 0.000 1.113 51 N CA 0.691 53.803 53.050 0.103 0.000 0.858 51 N CB -0.002 38.575 38.487 0.150 0.000 0.970 51 N HN 0.034 nan 8.380 nan 0.000 0.471 52 S N 0.190 115.934 115.700 0.073 0.000 2.690 52 S HA 0.204 4.674 4.470 -0.000 0.000 0.285 52 S C 0.731 175.431 174.600 0.167 0.000 1.135 52 S CA -0.485 57.761 58.200 0.077 0.000 1.020 52 S CB 1.035 64.244 63.200 0.015 0.000 1.159 52 S HN 0.092 nan 8.310 nan 0.000 0.534 53 D N -1.211 119.237 120.400 0.079 0.000 2.349 53 D HA 0.125 4.765 4.640 -0.000 0.000 0.224 53 D C 0.184 176.572 176.300 0.147 0.000 1.029 53 D CA 0.321 54.337 54.000 0.028 0.000 0.879 53 D CB -0.201 40.548 40.800 -0.085 0.000 0.906 53 D HN 0.491 nan 8.370 nan 0.000 0.528 54 K N 0.879 121.356 120.400 0.127 0.000 2.656 54 K HA 0.299 4.618 4.320 -0.000 0.000 0.241 54 K C -0.838 175.725 176.600 -0.062 0.000 0.967 54 K CA -0.551 55.775 56.287 0.064 0.000 0.946 54 K CB 0.699 33.195 32.500 -0.006 0.000 1.164 54 K HN -0.032 nan 8.250 nan 0.000 0.459 55 L N 5.269 126.416 121.223 -0.126 0.000 2.483 55 L HA 0.177 4.517 4.340 -0.000 0.000 0.275 55 L C -1.163 175.382 176.870 -0.542 0.000 1.220 55 L CA -1.376 53.190 54.840 -0.457 0.000 0.833 55 L CB 0.458 42.199 42.059 -0.530 0.000 1.102 55 L HN 0.599 nan 8.230 nan 0.000 0.490 56 P HA 0.022 nan 4.420 nan 0.000 0.241 56 P C -0.145 176.872 177.300 -0.471 0.000 1.191 56 P CA 0.831 63.547 63.100 -0.640 0.000 0.771 56 P CB 0.009 31.231 31.700 -0.797 0.000 0.929 57 I N -4.790 115.450 120.570 -0.550 0.000 2.689 57 I HA 0.533 4.703 4.170 -0.000 0.000 0.299 57 I C -1.127 174.895 176.117 -0.158 0.000 1.059 57 I CA -1.805 59.313 61.300 -0.303 0.000 1.055 57 I CB 2.089 39.790 38.000 -0.498 0.000 1.243 57 I HN -0.349 nan 8.210 nan 0.000 0.425 58 Y N 4.254 124.494 120.300 -0.099 0.000 2.367 58 Y HA 0.511 5.061 4.550 -0.000 0.000 0.342 58 Y C -0.643 175.261 175.900 0.007 0.000 0.979 58 Y CA -0.066 58.004 58.100 -0.050 0.000 1.161 58 Y CB 0.721 39.174 38.460 -0.011 0.000 1.155 58 Y HN 0.564 nan 8.280 nan 0.000 0.503 59 E N 7.918 127.682 120.200 -0.726 0.000 2.256 59 E HA 0.302 4.651 4.350 -0.000 0.000 0.268 59 E C -2.763 173.331 176.600 -0.844 0.000 0.877 59 E CA -2.366 53.641 56.400 -0.655 0.000 0.757 59 E CB 1.812 31.353 29.700 -0.265 0.000 1.183 59 E HN 0.481 nan 8.360 nan 0.000 0.418 60 P HA -0.031 nan 4.420 nan 0.000 0.260 60 P C 0.854 178.041 177.300 -0.189 0.000 1.172 60 P CA 1.198 64.120 63.100 -0.297 0.000 0.760 60 P CB 0.336 31.973 31.700 -0.105 0.000 0.773 61 G N 2.392 111.117 108.800 -0.124 0.000 2.245 61 G HA2 -0.355 3.605 3.960 -0.000 0.000 0.264 61 G HA3 -0.355 3.605 3.960 -0.000 0.000 0.264 61 G C 0.744 175.555 174.900 -0.148 0.000 0.985 61 G CA 0.392 45.425 45.100 -0.110 0.000 0.625 61 G HN 0.555 nan 8.290 nan 0.000 0.536 62 L N 1.157 122.271 121.223 -0.181 0.000 2.072 62 L HA 0.179 4.519 4.340 -0.000 0.000 0.205 62 L C 2.289 179.051 176.870 -0.180 0.000 1.079 62 L CA 2.777 57.508 54.840 -0.181 0.000 0.752 62 L CB -0.426 41.515 42.059 -0.196 0.000 0.906 62 L HN 0.260 nan 8.230 nan 0.000 0.436 63 D N -0.322 119.996 120.400 -0.136 0.000 2.104 63 D HA -0.274 4.366 4.640 -0.000 0.000 0.194 63 D C 1.941 178.245 176.300 0.007 0.000 0.994 63 D CA 1.635 55.576 54.000 -0.098 0.000 0.830 63 D CB -0.051 40.850 40.800 0.167 0.000 0.959 63 D HN 0.582 nan 8.370 nan 0.000 0.452 64 E N 0.150 120.359 120.200 0.014 0.000 2.085 64 E HA -0.187 4.163 4.350 -0.000 0.000 0.194 64 E C 2.002 178.577 176.600 -0.043 0.000 0.994 64 E CA 0.800 57.211 56.400 0.019 0.000 0.801 64 E CB 0.127 29.813 29.700 -0.023 0.000 0.743 64 E HN 0.071 nan 8.360 nan 0.000 0.453 65 I N 0.550 121.027 120.570 -0.155 0.000 2.193 65 I HA -0.176 3.994 4.170 -0.000 0.000 0.240 65 I C 2.503 178.551 176.117 -0.115 0.000 1.084 65 I CA 0.631 61.792 61.300 -0.232 0.000 1.365 65 I CB -1.162 36.628 38.000 -0.350 0.000 1.064 65 I HN 0.074 nan 8.210 nan 0.000 0.410 66 V N 0.502 120.328 119.914 -0.146 0.000 2.295 66 V HA -0.256 3.864 4.120 -0.000 0.000 0.246 66 V C 2.385 178.435 176.094 -0.073 0.000 1.049 66 V CA 1.699 63.919 62.300 -0.132 0.000 1.024 66 V CB -0.702 30.987 31.823 -0.223 0.000 0.648 66 V HN 0.154 nan 8.190 nan 0.000 0.447 67 F N 0.709 120.674 119.950 0.025 0.000 2.325 67 F HA 0.028 4.555 4.527 -0.000 0.000 0.299 67 F C 2.352 178.153 175.800 0.002 0.000 1.090 67 F CA 0.766 58.776 58.000 0.016 0.000 1.392 67 F CB -1.100 37.904 39.000 0.007 0.000 1.053 67 F HN 0.094 nan 8.300 nan 0.000 0.521 68 A N -0.468 122.446 122.820 0.158 0.000 1.969 68 A HA 0.114 4.434 4.320 -0.000 0.000 0.218 68 A C 2.304 179.913 177.584 0.042 0.000 1.169 68 A CA 1.643 53.733 52.037 0.089 0.000 0.635 68 A CB -0.866 18.181 19.000 0.078 0.000 0.810 68 A HN 0.269 nan 8.150 nan 0.000 0.445 69 A N -1.192 121.635 122.820 0.012 0.000 2.085 69 A HA 0.269 4.589 4.320 -0.000 0.000 0.208 69 A C 1.376 178.870 177.584 -0.150 0.000 1.191 69 A CA -0.058 51.941 52.037 -0.064 0.000 0.799 69 A CB -0.160 18.793 19.000 -0.078 0.000 0.877 69 A HN 0.397 nan 8.150 nan 0.000 0.473 70 R N -0.105 120.349 120.500 -0.078 0.000 2.570 70 R HA 0.289 4.629 4.340 -0.000 0.000 0.277 70 R C 1.278 177.456 176.300 -0.203 0.000 1.039 70 R CA 1.090 57.118 56.100 -0.120 0.000 1.065 70 R CB -0.050 30.325 30.300 0.125 0.000 0.964 70 R HN 0.771 nan 8.270 nan 0.000 0.428 71 G N 3.310 111.821 108.800 -0.482 0.000 2.220 71 G HA2 -0.360 3.600 3.960 -0.000 0.000 0.269 71 G HA3 -0.360 3.600 3.960 -0.000 0.000 0.269 71 G C 0.807 175.582 174.900 -0.209 0.000 0.977 71 G CA 0.808 45.728 45.100 -0.300 0.000 0.634 71 G HN 0.691 nan 8.290 nan 0.000 0.539 72 R N -0.107 120.208 120.500 -0.309 0.000 2.009 72 R HA 0.154 4.493 4.340 -0.000 0.000 0.206 72 R C 1.829 178.087 176.300 -0.070 0.000 1.356 72 R CA 0.997 57.039 56.100 -0.097 0.000 1.088 72 R CB -0.369 29.895 30.300 -0.060 0.000 0.959 72 R HN 0.456 nan 8.270 nan 0.000 0.469 73 N N 0.668 119.249 118.700 -0.199 0.000 2.197 73 N HA 0.081 4.821 4.740 -0.000 0.000 0.228 73 N C -0.569 174.795 175.510 -0.244 0.000 1.212 73 N CA -0.131 52.875 53.050 -0.073 0.000 0.883 73 N CB 0.601 39.068 38.487 -0.033 0.000 1.107 73 N HN 0.070 nan 8.380 nan 0.000 0.519 74 L N 0.391 121.205 121.223 -0.681 0.000 2.409 74 L HA 0.691 5.031 4.340 -0.000 0.000 0.272 74 L C -1.933 174.311 176.870 -1.043 0.000 0.980 74 L CA -0.618 53.825 54.840 -0.662 0.000 0.826 74 L CB 1.215 43.000 42.059 -0.457 0.000 1.268 74 L HN -0.059 nan 8.230 nan 0.000 0.407 75 F N 4.488 124.156 119.950 -0.471 0.000 2.578 75 F HA 0.612 5.139 4.527 -0.000 0.000 0.311 75 F C -0.953 174.490 175.800 -0.596 0.000 1.094 75 F CA -0.418 57.376 58.000 -0.344 0.000 0.923 75 F CB 1.969 40.868 39.000 -0.168 0.000 1.230 75 F HN 0.176 nan 8.300 nan 0.000 0.450 76 F N 1.243 121.243 119.950 0.083 0.000 2.460 76 F HA 0.659 5.186 4.527 -0.000 0.000 0.341 76 F C -0.199 175.631 175.800 0.051 0.000 1.130 76 F CA -0.583 57.416 58.000 -0.003 0.000 0.962 76 F CB 1.947 40.936 39.000 -0.019 0.000 1.171 76 F HN 0.322 nan 8.300 nan 0.000 0.436 77 S N -0.153 115.637 115.700 0.149 0.000 2.595 77 S HA 0.397 4.867 4.470 -0.000 0.000 0.281 77 S C 0.140 174.782 174.600 0.069 0.000 1.117 77 S CA -0.893 57.365 58.200 0.097 0.000 0.873 77 S CB 1.765 64.990 63.200 0.041 0.000 1.108 77 S HN 0.560 nan 8.310 nan 0.000 0.477 78 S N -0.908 114.823 115.700 0.052 0.000 2.572 78 S HA 0.167 4.637 4.470 -0.000 0.000 0.228 78 S C -0.245 174.353 174.600 -0.002 0.000 0.963 78 S CA -0.214 58.004 58.200 0.030 0.000 0.939 78 S CB -0.252 62.970 63.200 0.036 0.000 0.804 78 S HN 0.617 nan 8.310 nan 0.000 0.480 79 D N 1.501 121.891 120.400 -0.016 0.000 2.524 79 D HA 0.397 5.037 4.640 -0.000 0.000 0.222 79 D C 0.790 177.043 176.300 -0.078 0.000 1.142 79 D CA -0.428 53.540 54.000 -0.053 0.000 0.973 79 D CB -0.113 40.655 40.800 -0.054 0.000 1.025 79 D HN 0.276 nan 8.370 nan 0.000 0.519 80 I N 2.931 123.449 120.570 -0.087 0.000 2.163 80 I HA -0.089 4.081 4.170 -0.000 0.000 0.240 80 I C -0.688 175.337 176.117 -0.154 0.000 1.081 80 I CA 0.516 61.765 61.300 -0.085 0.000 1.353 80 I CB -0.984 36.987 38.000 -0.048 0.000 1.054 80 I HN 0.260 nan 8.210 nan 0.000 0.407 81 P HA -0.241 nan 4.420 nan 0.000 0.216 81 P C 1.528 178.655 177.300 -0.288 0.000 1.154 81 P CA 1.627 64.359 63.100 -0.613 0.000 0.865 81 P CB -0.033 30.962 31.700 -1.174 0.000 0.789 82 K N -0.501 119.780 120.400 -0.198 0.000 2.025 82 K HA -0.084 4.236 4.320 -0.000 0.000 0.207 82 K C 2.029 178.585 176.600 -0.073 0.000 1.049 82 K CA 1.402 57.623 56.287 -0.109 0.000 0.933 82 K CB -0.603 31.840 32.500 -0.094 0.000 0.714 82 K HN -0.047 nan 8.250 nan 0.000 0.438 83 A N 1.708 124.484 122.820 -0.073 0.000 1.877 83 A HA -0.143 4.177 4.320 -0.000 0.000 0.216 83 A C 2.044 179.615 177.584 -0.023 0.000 1.186 83 A CA 1.321 53.327 52.037 -0.052 0.000 0.620 83 A CB -0.543 18.428 19.000 -0.049 0.000 0.822 83 A HN 0.293 nan 8.150 nan 0.000 0.443 84 I N 0.157 120.722 120.570 -0.009 0.000 2.118 84 I HA -0.312 3.858 4.170 -0.000 0.000 0.241 84 I C 3.006 179.161 176.117 0.063 0.000 1.070 84 I CA 1.624 62.949 61.300 0.042 0.000 1.327 84 I CB -1.684 36.367 38.000 0.084 0.000 1.034 84 I HN 0.384 nan 8.210 nan 0.000 0.405 85 A N 0.419 123.273 122.820 0.057 0.000 1.927 85 A HA -0.244 4.076 4.320 -0.000 0.000 0.220 85 A C 2.207 179.812 177.584 0.035 0.000 1.185 85 A CA 2.135 54.210 52.037 0.064 0.000 0.639 85 A CB -0.618 18.412 19.000 0.050 0.000 0.820 85 A HN 0.597 nan 8.150 nan 0.000 0.451 86 E N -0.582 119.622 120.200 0.007 0.000 2.307 86 E HA 0.320 4.669 4.350 -0.000 0.000 0.195 86 E C 0.954 177.551 176.600 -0.005 0.000 0.975 86 E CA 0.092 56.488 56.400 -0.008 0.000 0.878 86 E CB -0.097 29.582 29.700 -0.035 0.000 0.845 86 E HN 0.593 nan 8.360 nan 0.000 0.488 87 A N 1.938 124.758 122.820 -0.001 0.000 2.555 87 A HA -0.083 4.237 4.320 -0.000 0.000 0.233 87 A C 0.473 178.061 177.584 0.008 0.000 1.060 87 A CA 0.168 52.203 52.037 -0.004 0.000 0.759 87 A CB 0.237 19.235 19.000 -0.004 0.000 0.995 87 A HN 0.027 nan 8.150 nan 0.000 0.506 88 D N 0.157 120.554 120.400 -0.005 0.000 2.201 88 D HA 0.082 4.722 4.640 -0.000 0.000 0.209 88 D C 0.349 176.627 176.300 -0.037 0.000 0.961 88 D CA 0.994 54.996 54.000 0.004 0.000 0.861 88 D CB 0.064 40.866 40.800 0.004 0.000 0.997 88 D HN 0.422 nan 8.370 nan 0.000 0.486 89 L N 0.864 122.031 121.223 -0.093 0.000 2.409 89 L HA 0.429 4.769 4.340 -0.000 0.000 0.272 89 L C -1.497 175.243 176.870 -0.216 0.000 0.980 89 L CA -0.557 54.162 54.840 -0.200 0.000 0.826 89 L CB 1.992 43.877 42.059 -0.290 0.000 1.268 89 L HN -0.242 nan 8.230 nan 0.000 0.407 90 I N 4.579 125.020 120.570 -0.215 0.000 2.389 90 I HA 0.332 4.502 4.170 -0.000 0.000 0.288 90 I C -0.882 175.107 176.117 -0.212 0.000 0.999 90 I CA -0.386 60.832 61.300 -0.137 0.000 1.129 90 I CB 1.329 39.309 38.000 -0.033 0.000 1.288 90 I HN 0.401 nan 8.210 nan 0.000 0.444 91 F N 6.187 126.126 119.950 -0.017 0.000 2.396 91 F HA 0.415 4.942 4.527 -0.000 0.000 0.343 91 F C 0.519 176.313 175.800 -0.009 0.000 1.104 91 F CA -0.349 57.643 58.000 -0.012 0.000 1.161 91 F CB 0.798 39.790 39.000 -0.014 0.000 1.146 91 F HN 0.212 nan 8.300 nan 0.000 0.522 92 I N 2.791 123.475 120.570 0.190 0.000 2.307 92 I HA 0.227 4.397 4.170 -0.000 0.000 0.289 92 I C -0.348 175.834 176.117 0.108 0.000 1.021 92 I CA -0.175 61.195 61.300 0.117 0.000 1.224 92 I CB 0.798 38.844 38.000 0.077 0.000 1.376 92 I HN 0.469 nan 8.210 nan 0.000 0.470 93 S N 5.963 121.709 115.700 0.077 0.000 2.062 93 S HA 0.333 4.803 4.470 -0.000 0.000 0.163 93 S C -0.097 174.524 174.600 0.034 0.000 1.612 93 S CA -0.650 57.576 58.200 0.042 0.000 1.251 93 S CB 0.426 63.633 63.200 0.010 0.000 1.174 93 S HN 0.467 nan 8.310 nan 0.000 0.428 94 V N -0.755 119.187 119.914 0.047 0.000 2.881 94 V HA 0.633 4.753 4.120 -0.000 0.000 0.316 94 V C -0.222 175.915 176.094 0.072 0.000 1.070 94 V CA -1.357 60.969 62.300 0.043 0.000 0.976 94 V CB 0.978 32.846 31.823 0.075 0.000 1.038 94 V HN 0.382 nan 8.190 nan 0.000 0.446 95 N N 2.048 120.795 118.700 0.078 0.000 2.454 95 N HA 0.173 4.913 4.740 -0.000 0.000 0.254 95 N C 0.354 175.992 175.510 0.212 0.000 1.228 95 N CA 0.583 53.711 53.050 0.130 0.000 0.900 95 N CB 0.779 39.348 38.487 0.137 0.000 1.089 95 N HN 1.043 nan 8.380 nan 0.000 0.449 96 T N -1.662 112.958 114.554 0.109 0.000 3.332 96 T HA 0.296 4.646 4.350 -0.000 0.000 0.385 96 T C -2.485 172.225 174.700 0.018 0.000 1.695 96 T CA -1.790 60.347 62.100 0.062 0.000 1.397 96 T CB 0.737 69.618 68.868 0.023 0.000 1.100 96 T HN 0.254 nan 8.240 nan 0.000 0.669 97 P HA 0.154 nan 4.420 nan 0.000 0.270 97 P C -0.060 177.197 177.300 -0.071 0.000 1.223 97 P CA -0.069 63.030 63.100 -0.002 0.000 0.785 97 P CB 0.501 32.218 31.700 0.029 0.000 0.923 98 T N 2.116 116.621 114.554 -0.082 0.000 2.884 98 T HA 0.112 4.462 4.350 -0.000 0.000 0.298 98 T C 0.529 175.120 174.700 -0.182 0.000 0.998 98 T CA -0.369 61.659 62.100 -0.120 0.000 1.124 98 T CB 0.106 68.918 68.868 -0.092 0.000 0.931 98 T HN 0.230 nan 8.240 nan 0.000 0.531 99 K N 3.145 123.409 120.400 -0.228 0.000 2.484 99 K HA 0.060 4.379 4.320 -0.000 0.000 0.280 99 K C 1.066 177.459 176.600 -0.346 0.000 1.013 99 K CA 0.081 56.176 56.287 -0.319 0.000 1.029 99 K CB 0.337 32.672 32.500 -0.275 0.000 0.902 99 K HN 0.520 nan 8.250 nan 0.000 0.481 100 M N 2.296 121.548 119.600 -0.579 0.000 2.492 100 M HA 0.056 4.536 4.480 -0.000 0.000 0.255 100 M C -0.198 175.915 176.300 -0.312 0.000 1.139 100 M CA 0.710 55.748 55.300 -0.437 0.000 1.096 100 M CB 0.078 32.417 32.600 -0.435 0.000 1.360 100 M HN 0.531 nan 8.290 nan 0.000 0.480 101 Y N -2.522 117.759 120.300 -0.032 0.000 2.615 101 Y HA 0.709 5.259 4.550 -0.000 0.000 0.341 101 Y C 0.551 176.433 175.900 -0.030 0.000 1.089 101 Y CA -0.888 57.198 58.100 -0.024 0.000 1.049 101 Y CB 0.316 38.766 38.460 -0.017 0.000 1.296 101 Y HN 0.235 nan 8.280 nan 0.000 0.470 102 G N 1.180 110.101 108.800 0.202 0.000 2.525 102 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.248 102 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.248 102 G C -0.682 174.260 174.900 0.069 0.000 1.238 102 G CA -0.165 45.014 45.100 0.132 0.000 0.926 102 G HN 0.976 nan 8.290 nan 0.000 0.574 103 R N 1.593 122.130 120.500 0.062 0.000 2.343 103 R HA 0.436 4.775 4.340 -0.000 0.000 0.326 103 R C 1.483 177.773 176.300 -0.017 0.000 1.055 103 R CA 1.623 57.762 56.100 0.066 0.000 0.961 103 R CB -0.520 29.834 30.300 0.090 0.000 0.978 103 R HN 2.382 nan 8.270 nan 0.000 0.443 104 G N 3.355 112.143 108.800 -0.020 0.000 2.143 104 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.249 104 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.249 104 G C 0.069 174.815 174.900 -0.257 0.000 0.981 104 G CA 0.257 45.161 45.100 -0.326 0.000 0.665 104 G HN 0.640 nan 8.290 nan 0.000 0.528 105 K N 0.405 120.737 120.400 -0.113 0.000 2.504 105 K HA 0.327 4.647 4.320 -0.000 0.000 0.278 105 K C 1.647 178.196 176.600 -0.085 0.000 1.025 105 K CA 1.367 57.596 56.287 -0.098 0.000 1.093 105 K CB -0.467 32.018 32.500 -0.026 0.000 0.873 105 K HN 1.576 nan 8.250 nan 0.000 0.483 106 G N 3.431 112.169 108.800 -0.104 0.000 2.179 106 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.260 106 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.260 106 G C 0.531 175.393 174.900 -0.064 0.000 0.977 106 G CA 0.568 45.629 45.100 -0.065 0.000 0.641 106 G HN 0.633 nan 8.290 nan 0.000 0.533 107 M N -1.140 118.388 119.600 -0.119 0.000 1.904 107 M HA 0.394 4.874 4.480 -0.000 0.000 0.203 107 M C 1.247 177.417 176.300 -0.217 0.000 1.379 107 M CA 0.711 55.949 55.300 -0.103 0.000 0.949 107 M CB 0.534 33.122 32.600 -0.020 0.000 1.612 107 M HN 0.541 nan 8.290 nan 0.000 0.585 108 A N 2.977 125.508 122.820 -0.482 0.000 2.366 108 A HA 0.535 4.855 4.320 -0.000 0.000 0.272 108 A C -2.495 174.921 177.584 -0.279 0.000 1.135 108 A CA -1.138 50.553 52.037 -0.577 0.000 0.804 108 A CB -0.554 17.833 19.000 -1.021 0.000 1.064 108 A HN 0.012 nan 8.150 nan 0.000 0.499 109 P HA 0.094 nan 4.420 nan 0.000 0.271 109 P C -0.714 176.516 177.300 -0.117 0.000 1.216 109 P CA -0.129 62.906 63.100 -0.108 0.000 0.776 109 P CB 0.591 32.260 31.700 -0.052 0.000 0.881 110 D N 2.670 122.995 120.400 -0.124 0.000 2.295 110 D HA 0.100 4.740 4.640 -0.000 0.000 0.248 110 D C 0.603 176.833 176.300 -0.117 0.000 1.154 110 D CA -0.141 53.776 54.000 -0.138 0.000 0.857 110 D CB 0.637 41.323 40.800 -0.190 0.000 1.117 110 D HN 0.286 nan 8.370 nan 0.000 0.468 111 L N 4.420 125.592 121.223 -0.085 0.000 2.645 111 L HA 0.015 4.355 4.340 -0.000 0.000 0.234 111 L C 2.309 179.133 176.870 -0.078 0.000 1.165 111 L CA -0.071 54.737 54.840 -0.054 0.000 0.944 111 L CB -0.117 41.931 42.059 -0.018 0.000 1.149 111 L HN 0.422 nan 8.230 nan 0.000 0.446 112 K N -0.534 119.759 120.400 -0.179 0.000 2.063 112 K HA -0.231 4.089 4.320 -0.000 0.000 0.208 112 K C 1.532 178.046 176.600 -0.143 0.000 1.048 112 K CA 1.708 57.865 56.287 -0.216 0.000 0.928 112 K CB -0.495 31.799 32.500 -0.342 0.000 0.713 112 K HN 0.143 nan 8.250 nan 0.000 0.442 113 Y N 1.507 121.816 120.300 0.014 0.000 2.263 113 Y HA -0.044 4.506 4.550 -0.000 0.000 0.292 113 Y C 2.504 178.414 175.900 0.017 0.000 1.130 113 Y CA 0.095 58.206 58.100 0.018 0.000 1.179 113 Y CB -0.631 37.840 38.460 0.019 0.000 0.998 113 Y HN -0.159 nan 8.280 nan 0.000 0.532 114 V N 0.148 120.147 119.914 0.141 0.000 2.407 114 V HA -0.265 3.855 4.120 -0.000 0.000 0.248 114 V C 2.336 178.462 176.094 0.055 0.000 1.055 114 V CA 2.081 64.432 62.300 0.086 0.000 1.049 114 V CB -0.460 31.398 31.823 0.059 0.000 0.662 114 V HN 0.399 nan 8.190 nan 0.000 0.455 115 E N -0.053 120.169 120.200 0.037 0.000 2.031 115 E HA -0.220 4.130 4.350 -0.000 0.000 0.193 115 E C 2.492 179.114 176.600 0.036 0.000 0.994 115 E CA 1.445 57.858 56.400 0.021 0.000 0.800 115 E CB -0.188 29.515 29.700 0.004 0.000 0.752 115 E HN 0.492 nan 8.360 nan 0.000 0.447 116 S N -0.293 115.445 115.700 0.064 0.000 2.380 116 S HA -0.211 4.259 4.470 -0.000 0.000 0.229 116 S C 2.016 176.664 174.600 0.080 0.000 1.050 116 S CA 1.670 59.923 58.200 0.089 0.000 1.100 116 S CB -0.352 62.942 63.200 0.156 0.000 0.984 116 S HN 0.208 nan 8.310 nan 0.000 0.434 117 V N 0.819 120.783 119.914 0.083 0.000 2.343 117 V HA -0.124 3.995 4.120 -0.000 0.000 0.247 117 V C 2.519 178.633 176.094 0.033 0.000 1.051 117 V CA 2.056 64.395 62.300 0.064 0.000 1.036 117 V CB -0.930 30.931 31.823 0.064 0.000 0.654 117 V HN 0.442 nan 8.190 nan 0.000 0.451 118 S N -0.392 115.315 115.700 0.011 0.000 2.356 118 S HA -0.198 4.272 4.470 -0.000 0.000 0.223 118 S C 2.094 176.664 174.600 -0.050 0.000 1.032 118 S CA 1.526 59.703 58.200 -0.039 0.000 1.005 118 S CB -0.309 62.866 63.200 -0.042 0.000 0.867 118 S HN 0.538 nan 8.310 nan 0.000 0.449 119 R N 0.393 120.884 120.500 -0.015 0.000 2.148 119 R HA -0.008 4.332 4.340 -0.000 0.000 0.227 119 R C 2.264 178.567 176.300 0.005 0.000 1.103 119 R CA 1.443 57.534 56.100 -0.015 0.000 0.983 119 R CB -0.535 29.766 30.300 0.001 0.000 0.874 119 R HN 0.340 nan 8.270 nan 0.000 0.451 120 T N 1.229 115.816 114.554 0.056 0.000 2.812 120 T HA -0.005 4.345 4.350 -0.000 0.000 0.264 120 T C 1.901 176.696 174.700 0.159 0.000 1.042 120 T CA 0.854 63.045 62.100 0.150 0.000 1.140 120 T CB -0.040 68.933 68.868 0.175 0.000 0.870 120 T HN 0.122 nan 8.240 nan 0.000 0.445 121 I N 1.626 122.239 120.570 0.071 0.000 2.163 121 I HA -0.209 3.961 4.170 -0.000 0.000 0.243 121 I C 2.990 179.121 176.117 0.023 0.000 1.085 121 I CA 1.260 62.588 61.300 0.047 0.000 1.347 121 I CB -0.567 37.408 38.000 -0.043 0.000 1.044 121 I HN 0.194 nan 8.210 nan 0.000 0.408 122 A N 0.120 122.894 122.820 -0.076 0.000 1.940 122 A HA -0.304 4.016 4.320 -0.000 0.000 0.219 122 A C 2.320 179.900 177.584 -0.007 0.000 1.176 122 A CA 2.122 54.122 52.037 -0.061 0.000 0.631 122 A CB -0.725 18.214 19.000 -0.100 0.000 0.814 122 A HN 0.572 nan 8.150 nan 0.000 0.446 123 Q N -2.182 117.569 119.800 -0.081 0.000 2.083 123 Q HA -0.135 4.205 4.340 -0.000 0.000 0.198 123 Q C 1.023 176.841 176.000 -0.302 0.000 0.969 123 Q CA 1.583 57.228 55.803 -0.265 0.000 0.838 123 Q CB -0.115 28.336 28.738 -0.478 0.000 0.900 123 Q HN 0.721 nan 8.270 nan 0.000 0.436 124 Y N -0.834 119.499 120.300 0.054 0.000 2.467 124 Y HA 0.404 4.954 4.550 -0.000 0.000 0.250 124 Y C 1.520 177.464 175.900 0.072 0.000 1.155 124 Y CA -0.009 58.123 58.100 0.052 0.000 1.249 124 Y CB 0.129 38.611 38.460 0.036 0.000 1.146 124 Y HN 0.238 nan 8.280 nan 0.000 0.524 125 A N 0.359 123.313 122.820 0.224 0.000 1.824 125 A HA 0.216 4.536 4.320 -0.000 0.000 0.215 125 A C 2.422 180.096 177.584 0.150 0.000 1.209 125 A CA 2.355 54.532 52.037 0.234 0.000 0.614 125 A CB -1.236 18.014 19.000 0.417 0.000 0.852 125 A HN 0.630 nan 8.150 nan 0.000 0.447 126 G N -2.764 106.104 108.800 0.113 0.000 2.527 126 G HA2 0.044 4.004 3.960 -0.000 0.000 0.218 126 G HA3 0.044 4.004 3.960 -0.000 0.000 0.218 126 G C 0.992 175.889 174.900 -0.004 0.000 1.177 126 G CA 0.762 45.892 45.100 0.051 0.000 0.695 126 G HN 1.783 nan 8.290 nan 0.000 0.517 127 G N 0.308 109.095 108.800 -0.022 0.000 3.209 127 G HA2 0.738 4.698 3.960 -0.000 0.000 0.236 127 G HA3 0.738 4.698 3.960 -0.000 0.000 0.236 127 G C -3.073 171.717 174.900 -0.182 0.000 1.329 127 G CA -0.574 44.476 45.100 -0.083 0.000 1.015 127 G HN 0.307 nan 8.290 nan 0.000 0.571 128 P HA 0.278 nan 4.420 nan 0.000 0.271 128 P C -0.890 176.447 177.300 0.063 0.000 1.220 128 P CA 0.069 63.081 63.100 -0.147 0.000 0.768 128 P CB 0.760 32.376 31.700 -0.140 0.000 0.848 129 K N 3.399 123.878 120.400 0.130 0.000 2.378 129 K HA 0.477 4.797 4.320 -0.000 0.000 0.252 129 K C -0.103 176.599 176.600 0.170 0.000 0.931 129 K CA -0.725 55.701 56.287 0.230 0.000 0.794 129 K CB 2.149 34.867 32.500 0.363 0.000 1.181 129 K HN 0.409 nan 8.250 nan 0.000 0.425 130 I N 2.343 122.831 120.570 -0.136 0.000 2.416 130 I HA 0.144 4.314 4.170 -0.000 0.000 0.288 130 I C -0.068 175.950 176.117 -0.166 0.000 1.051 130 I CA -0.828 60.286 61.300 -0.309 0.000 1.375 130 I CB 0.896 38.602 38.000 -0.491 0.000 1.407 130 I HN 0.021 nan 8.210 nan 0.000 0.516 131 V N 7.547 127.393 119.914 -0.114 0.000 2.448 131 V HA 0.398 4.518 4.120 -0.000 0.000 0.295 131 V C -0.124 175.903 176.094 -0.111 0.000 1.025 131 V CA -0.615 61.630 62.300 -0.091 0.000 0.859 131 V CB 2.012 33.808 31.823 -0.045 0.000 0.988 131 V HN 0.417 nan 8.190 nan 0.000 0.431 132 V N 4.061 123.904 119.914 -0.120 0.000 2.443 132 V HA 0.360 4.480 4.120 -0.000 0.000 0.293 132 V C -0.046 176.089 176.094 0.068 0.000 1.021 132 V CA -0.805 61.454 62.300 -0.069 0.000 0.848 132 V CB 1.772 33.472 31.823 -0.204 0.000 0.998 132 V HN 0.920 nan 8.190 nan 0.000 0.424 133 E N 3.321 123.559 120.200 0.063 0.000 2.159 133 E HA 0.083 4.433 4.350 -0.000 0.000 0.272 133 E C 0.488 177.152 176.600 0.107 0.000 1.138 133 E CA -0.109 56.338 56.400 0.079 0.000 0.915 133 E CB 1.066 30.795 29.700 0.049 0.000 1.028 133 E HN 0.554 nan 8.360 nan 0.000 0.423 134 K N 2.174 122.654 120.400 0.135 0.000 2.172 134 K HA -0.000 4.320 4.320 -0.000 0.000 0.203 134 K C 0.532 177.128 176.600 -0.007 0.000 1.040 134 K CA 0.413 56.753 56.287 0.087 0.000 0.974 134 K CB 0.203 32.757 32.500 0.089 0.000 0.857 134 K HN 0.406 nan 8.250 nan 0.000 0.464 135 S N 0.082 115.787 115.700 0.008 0.000 2.600 135 S HA 0.158 4.627 4.470 -0.000 0.000 0.265 135 S C -0.112 174.472 174.600 -0.026 0.000 1.325 135 S CA -0.689 57.501 58.200 -0.017 0.000 1.002 135 S CB 0.963 64.169 63.200 0.010 0.000 0.921 135 S HN 0.208 nan 8.310 nan 0.000 0.554 136 T N 1.948 116.475 114.554 -0.045 0.000 2.834 136 T HA 0.467 4.817 4.350 -0.000 0.000 0.298 136 T C 0.250 174.942 174.700 -0.014 0.000 0.966 136 T CA -0.450 61.618 62.100 -0.052 0.000 1.141 136 T CB 0.041 68.865 68.868 -0.073 0.000 0.905 136 T HN 0.835 nan 8.240 nan 0.000 0.535 137 V N 1.980 121.894 119.914 -0.001 0.000 2.960 137 V HA 0.801 4.921 4.120 -0.000 0.000 0.315 137 V C -2.611 173.499 176.094 0.027 0.000 1.087 137 V CA -2.932 59.381 62.300 0.022 0.000 0.982 137 V CB 1.556 33.404 31.823 0.042 0.000 1.039 137 V HN 0.568 nan 8.190 nan 0.000 0.437 138 P HA 0.225 nan 4.420 nan 0.000 0.272 138 P C -0.093 177.241 177.300 0.056 0.000 1.223 138 P CA -0.074 63.051 63.100 0.042 0.000 0.784 138 P CB 0.935 32.664 31.700 0.047 0.000 0.923 139 V N 4.060 124.003 119.914 0.049 0.000 2.788 139 V HA -0.082 4.038 4.120 -0.000 0.000 0.307 139 V C 1.406 177.493 176.094 -0.012 0.000 1.069 139 V CA 0.571 62.905 62.300 0.057 0.000 1.173 139 V CB -0.678 31.160 31.823 0.024 0.000 0.925 139 V HN 0.729 nan 8.190 nan 0.000 0.492 140 K N 1.026 121.414 120.400 -0.020 0.000 3.553 140 K HA -0.274 4.046 4.320 -0.000 0.000 0.303 140 K C 1.386 178.017 176.600 0.050 0.000 1.327 140 K CA 1.193 57.364 56.287 -0.195 0.000 0.983 140 K CB -2.118 30.157 32.500 -0.375 0.000 1.275 140 K HN 0.995 nan 8.250 nan 0.000 0.453 141 A N 0.980 123.869 122.820 0.116 0.000 1.917 141 A HA -0.039 4.281 4.320 -0.000 0.000 0.219 141 A C 2.393 180.063 177.584 0.144 0.000 1.182 141 A CA 2.779 54.878 52.037 0.103 0.000 0.633 141 A CB -0.503 18.549 19.000 0.087 0.000 0.819 141 A HN 0.584 nan 8.150 nan 0.000 0.448 142 A N -0.744 122.226 122.820 0.249 0.000 2.024 142 A HA -0.194 4.126 4.320 -0.000 0.000 0.220 142 A C 1.972 179.707 177.584 0.251 0.000 1.164 142 A CA 1.822 53.996 52.037 0.229 0.000 0.643 142 A CB -0.475 18.645 19.000 0.199 0.000 0.806 142 A HN 0.703 nan 8.150 nan 0.000 0.451 143 E N -0.220 120.175 120.200 0.325 0.000 2.072 143 E HA -0.113 4.237 4.350 -0.000 0.000 0.191 143 E C 2.133 178.797 176.600 0.106 0.000 0.985 143 E CA 1.186 57.723 56.400 0.229 0.000 0.801 143 E CB -0.006 29.758 29.700 0.106 0.000 0.750 143 E HN 0.610 nan 8.360 nan 0.000 0.452 144 S N 0.636 116.379 115.700 0.072 0.000 2.368 144 S HA -0.120 4.350 4.470 -0.000 0.000 0.224 144 S C 1.968 176.584 174.600 0.027 0.000 1.029 144 S CA 0.828 59.051 58.200 0.037 0.000 0.988 144 S CB -0.203 63.013 63.200 0.026 0.000 0.838 144 S HN 0.273 nan 8.310 nan 0.000 0.462 145 I N 1.710 122.300 120.570 0.034 0.000 2.091 145 I HA -0.219 3.950 4.170 -0.000 0.000 0.239 145 I C 2.795 178.901 176.117 -0.019 0.000 1.061 145 I CA 1.483 62.784 61.300 0.001 0.000 1.317 145 I CB -1.150 36.855 38.000 0.008 0.000 1.031 145 I HN 0.396 nan 8.210 nan 0.000 0.401 146 G N -0.261 108.554 108.800 0.024 0.000 2.442 146 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.219 146 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.219 146 G C 1.893 176.809 174.900 0.026 0.000 1.141 146 G CA 0.919 46.038 45.100 0.032 0.000 0.763 146 G HN 0.514 nan 8.290 nan 0.000 0.554 147 C N 0.139 119.457 119.300 0.030 0.000 2.413 147 C HA 0.040 4.500 4.460 -0.000 0.000 0.277 147 C C 2.878 177.868 174.990 0.001 0.000 1.265 147 C CA 0.858 59.890 59.018 0.023 0.000 1.752 147 C CB -0.990 26.763 27.740 0.023 0.000 1.998 147 C HN 0.470 nan 8.230 nan 0.000 0.489 148 I N 0.435 120.991 120.570 -0.023 0.000 2.252 148 I HA -0.156 4.014 4.170 -0.000 0.000 0.245 148 I C 2.333 178.400 176.117 -0.084 0.000 1.102 148 I CA 1.426 62.697 61.300 -0.047 0.000 1.385 148 I CB -0.290 37.676 38.000 -0.057 0.000 1.064 148 I HN 0.324 nan 8.210 nan 0.000 0.414 149 L N -0.175 120.961 121.223 -0.145 0.000 2.217 149 L HA -0.092 4.248 4.340 -0.000 0.000 0.211 149 L C 2.609 179.492 176.870 0.021 0.000 1.107 149 L CA 0.877 55.556 54.840 -0.269 0.000 0.783 149 L CB -0.550 41.164 42.059 -0.576 0.000 0.919 149 L HN 0.169 nan 8.230 nan 0.000 0.442 150 R N -0.012 120.522 120.500 0.055 0.000 2.092 150 R HA -0.114 4.226 4.340 -0.000 0.000 0.231 150 R C 2.129 178.478 176.300 0.081 0.000 1.119 150 R CA 0.847 57.008 56.100 0.100 0.000 0.970 150 R CB -0.009 30.336 30.300 0.075 0.000 0.864 150 R HN 0.286 nan 8.270 nan 0.000 0.440 151 E N 0.325 120.553 120.200 0.048 0.000 2.204 151 E HA -0.133 4.217 4.350 -0.000 0.000 0.195 151 E C 1.764 178.393 176.600 0.049 0.000 0.990 151 E CA 1.147 57.569 56.400 0.037 0.000 0.821 151 E CB -0.053 29.657 29.700 0.015 0.000 0.750 151 E HN 0.330 nan 8.360 nan 0.000 0.477 152 A N 1.472 124.338 122.820 0.075 0.000 1.970 152 A HA -0.144 4.176 4.320 -0.000 0.000 0.216 152 A C 1.767 179.431 177.584 0.133 0.000 1.170 152 A CA 0.815 52.916 52.037 0.106 0.000 0.645 152 A CB -0.361 18.726 19.000 0.145 0.000 0.816 152 A HN 0.288 nan 8.150 nan 0.000 0.447 153 Q N 0.430 120.330 119.800 0.166 0.000 2.294 153 Q HA 0.288 4.628 4.340 -0.000 0.000 0.256 153 Q C -0.531 175.503 176.000 0.057 0.000 0.907 153 Q CA -0.107 55.760 55.803 0.107 0.000 0.954 153 Q CB -0.594 28.211 28.738 0.112 0.000 1.102 153 Q HN 0.695 nan 8.270 nan 0.000 0.429 160 K N 3.660 123.624 120.400 -0.728 0.000 2.762 160 K HA 0.509 4.829 4.320 -0.000 0.000 0.272 160 K C -1.957 174.470 176.600 -0.287 0.000 1.093 160 K CA -0.314 55.725 56.287 -0.413 0.000 1.048 160 K CB 0.803 33.093 32.500 -0.350 0.000 1.304 160 K HN 0.324 nan 8.250 nan 0.000 0.511 161 F N 1.734 121.787 119.950 0.172 0.000 2.450 161 F HA 0.461 4.988 4.527 -0.000 0.000 0.332 161 F C 0.470 176.405 175.800 0.226 0.000 1.093 161 F CA -0.516 57.607 58.000 0.205 0.000 1.003 161 F CB 1.710 40.767 39.000 0.096 0.000 1.151 161 F HN 0.206 nan 8.300 nan 0.000 0.474 162 Q N 1.829 121.826 119.800 0.328 0.000 2.365 162 Q HA 0.568 4.908 4.340 -0.000 0.000 0.269 162 Q C -1.161 174.845 176.000 0.010 0.000 1.061 162 Q CA -0.849 55.022 55.803 0.113 0.000 0.816 162 Q CB 3.006 31.735 28.738 -0.014 0.000 1.325 162 Q HN 0.420 nan 8.270 nan 0.000 0.446 163 V N 3.788 123.699 119.914 -0.005 0.000 2.394 163 V HA 0.500 4.620 4.120 -0.000 0.000 0.282 163 V C 0.102 176.145 176.094 -0.085 0.000 1.031 163 V CA -0.535 61.740 62.300 -0.040 0.000 0.881 163 V CB 1.046 32.862 31.823 -0.012 0.000 0.982 163 V HN 0.534 nan 8.190 nan 0.000 0.451 164 L N 2.938 124.106 121.223 -0.091 0.000 2.313 164 L HA 0.709 5.049 4.340 -0.000 0.000 0.268 164 L C 0.157 176.996 176.870 -0.051 0.000 1.010 164 L CA -0.526 54.259 54.840 -0.092 0.000 0.814 164 L CB 2.016 44.018 42.059 -0.095 0.000 1.304 164 L HN 0.609 nan 8.230 nan 0.000 0.441 165 S N 1.103 116.774 115.700 -0.049 0.000 2.449 165 S HA 0.459 4.929 4.470 -0.000 0.000 0.310 165 S C -0.713 173.893 174.600 0.010 0.000 1.096 165 S CA -0.498 57.695 58.200 -0.012 0.000 1.095 165 S CB 0.557 63.745 63.200 -0.020 0.000 1.007 165 S HN 0.650 nan 8.310 nan 0.000 0.474 166 N N 4.895 123.622 118.700 0.045 0.000 2.707 166 N HA 0.436 5.176 4.740 -0.000 0.000 0.249 166 N C -3.120 172.387 175.510 -0.005 0.000 1.299 166 N CA -1.500 51.586 53.050 0.060 0.000 0.769 166 N CB 1.365 39.975 38.487 0.206 0.000 1.236 166 N HN 0.283 nan 8.380 nan 0.000 0.524 167 P HA 0.017 nan 4.420 nan 0.000 0.269 167 P C -0.448 176.570 177.300 -0.470 0.000 1.209 167 P CA 0.084 62.999 63.100 -0.308 0.000 0.776 167 P CB 0.524 31.970 31.700 -0.423 0.000 0.876 168 E N 2.969 122.897 120.200 -0.454 0.000 2.316 168 E HA 0.080 4.430 4.350 -0.000 0.000 0.275 168 E C -1.253 174.959 176.600 -0.647 0.000 1.029 168 E CA -0.042 56.138 56.400 -0.367 0.000 0.871 168 E CB 0.077 29.662 29.700 -0.192 0.000 1.022 168 E HN 0.277 nan 8.360 nan 0.000 0.418 169 F N 4.972 124.914 119.950 -0.013 0.000 2.530 169 F HA 0.287 4.814 4.527 -0.000 0.000 0.318 169 F C -0.542 175.262 175.800 0.007 0.000 1.356 169 F CA -0.651 57.340 58.000 -0.016 0.000 1.135 169 F CB 0.518 39.501 39.000 -0.029 0.000 1.315 169 F HN 0.268 nan 8.300 nan 0.000 0.549 170 L N 1.545 122.832 121.223 0.107 0.000 2.334 170 L HA 0.871 5.211 4.340 -0.000 0.000 0.276 170 L C -0.092 176.821 176.870 0.072 0.000 1.014 170 L CA -1.162 53.738 54.840 0.101 0.000 0.815 170 L CB 1.632 43.748 42.059 0.096 0.000 1.268 170 L HN 0.331 nan 8.230 nan 0.000 0.428 171 A N 2.550 125.419 122.820 0.081 0.000 2.365 171 A HA 0.498 4.818 4.320 -0.000 0.000 0.318 171 A C -0.350 177.260 177.584 0.044 0.000 1.091 171 A CA -0.629 51.440 52.037 0.052 0.000 0.763 171 A CB 0.883 19.937 19.000 0.090 0.000 1.248 171 A HN 0.671 nan 8.150 nan 0.000 0.442 172 E N 0.598 120.772 120.200 -0.043 0.000 2.558 172 E HA 0.263 4.613 4.350 -0.000 0.000 0.255 172 E C 1.284 177.908 176.600 0.041 0.000 0.968 172 E CA 1.679 58.044 56.400 -0.058 0.000 0.939 172 E CB 0.195 29.782 29.700 -0.188 0.000 0.921 172 E HN 1.547 nan 8.360 nan 0.000 0.477 173 G N 3.199 112.052 108.800 0.088 0.000 2.258 173 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.233 173 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.233 173 G C 0.723 175.648 174.900 0.041 0.000 1.006 173 G CA 0.613 45.749 45.100 0.060 0.000 0.620 173 G HN 0.700 nan 8.290 nan 0.000 0.511 174 T N -2.640 111.947 114.554 0.056 0.000 3.275 174 T HA 0.696 5.046 4.350 -0.000 0.000 0.298 174 T C 1.936 176.671 174.700 0.059 0.000 0.988 174 T CA 1.279 63.409 62.100 0.049 0.000 0.936 174 T CB 0.665 69.569 68.868 0.059 0.000 1.159 174 T HN 1.374 nan 8.240 nan 0.000 0.519 175 A N 2.298 125.163 122.820 0.075 0.000 1.908 175 A HA 0.005 4.325 4.320 -0.000 0.000 0.218 175 A C 2.269 179.884 177.584 0.053 0.000 1.181 175 A CA 1.384 53.477 52.037 0.092 0.000 0.627 175 A CB -0.595 18.492 19.000 0.144 0.000 0.818 175 A HN 0.439 nan 8.150 nan 0.000 0.445 176 M N -0.511 119.094 119.600 0.009 0.000 2.156 176 M HA -0.051 4.429 4.480 -0.000 0.000 0.264 176 M C 1.947 178.256 176.300 0.015 0.000 1.067 176 M CA 1.495 56.784 55.300 -0.018 0.000 1.131 176 M CB -1.123 31.434 32.600 -0.072 0.000 1.368 176 M HN 0.397 nan 8.290 nan 0.000 0.416 177 K N 0.090 120.506 120.400 0.027 0.000 2.097 177 K HA -0.153 4.167 4.320 -0.000 0.000 0.205 177 K C 1.513 178.161 176.600 0.079 0.000 1.050 177 K CA 1.118 57.435 56.287 0.050 0.000 0.938 177 K CB -0.095 32.430 32.500 0.042 0.000 0.718 177 K HN 0.262 nan 8.250 nan 0.000 0.442 178 D N 0.913 121.364 120.400 0.084 0.000 2.144 178 D HA -0.132 4.508 4.640 -0.000 0.000 0.199 178 D C 1.850 178.238 176.300 0.148 0.000 0.984 178 D CA 1.051 55.115 54.000 0.107 0.000 0.834 178 D CB -0.007 40.860 40.800 0.111 0.000 0.955 178 D HN 0.148 nan 8.370 nan 0.000 0.465 179 L N 0.158 121.475 121.223 0.157 0.000 2.162 179 L HA 0.062 4.402 4.340 -0.000 0.000 0.205 179 L C 2.370 179.471 176.870 0.385 0.000 1.086 179 L CA 0.689 55.675 54.840 0.245 0.000 0.778 179 L CB -0.131 42.024 42.059 0.160 0.000 0.928 179 L HN -0.058 nan 8.230 nan 0.000 0.446 180 A N -0.625 122.337 122.820 0.237 0.000 1.970 180 A HA -0.081 4.239 4.320 -0.000 0.000 0.216 180 A C 1.165 178.958 177.584 0.348 0.000 1.170 180 A CA 1.140 53.332 52.037 0.258 0.000 0.645 180 A CB -0.197 18.857 19.000 0.090 0.000 0.816 180 A HN 0.386 nan 8.150 nan 0.000 0.447 181 N N 0.058 118.892 118.700 0.223 0.000 2.765 181 N HA 0.257 4.997 4.740 -0.000 0.000 0.277 181 N C -3.120 172.452 175.510 0.104 0.000 1.750 181 N CA -1.868 51.275 53.050 0.156 0.000 0.827 181 N CB 0.948 39.499 38.487 0.106 0.000 1.200 181 N HN 0.123 nan 8.380 nan 0.000 0.494 182 P HA 0.193 nan 4.420 nan 0.000 0.271 182 P C 0.162 177.451 177.300 -0.018 0.000 1.218 182 P CA -0.106 63.023 63.100 0.048 0.000 0.780 182 P CB 1.413 33.138 31.700 0.040 0.000 0.901 183 D N 1.059 121.427 120.400 -0.054 0.000 2.133 183 D HA -0.141 4.499 4.640 -0.000 0.000 0.195 183 D C 1.052 177.269 176.300 -0.138 0.000 0.997 183 D CA 1.792 55.730 54.000 -0.103 0.000 0.840 183 D CB 0.135 40.847 40.800 -0.147 0.000 0.947 183 D HN 0.484 nan 8.370 nan 0.000 0.452 184 R N -1.039 119.357 120.500 -0.174 0.000 2.664 184 R HA 0.413 4.753 4.340 -0.000 0.000 0.266 184 R C -1.794 174.408 176.300 -0.164 0.000 1.046 184 R CA -0.715 55.277 56.100 -0.180 0.000 0.885 184 R CB 0.620 30.791 30.300 -0.214 0.000 1.254 184 R HN -0.162 nan 8.270 nan 0.000 0.465 185 V N 2.356 122.156 119.914 -0.190 0.000 2.483 185 V HA 0.498 4.618 4.120 -0.000 0.000 0.295 185 V C -0.478 175.512 176.094 -0.173 0.000 1.035 185 V CA -0.913 61.239 62.300 -0.248 0.000 0.896 185 V CB 1.408 32.902 31.823 -0.549 0.000 0.986 185 V HN 0.649 nan 8.190 nan 0.000 0.447 186 L N 6.901 128.083 121.223 -0.069 0.000 2.349 186 L HA 0.730 5.070 4.340 -0.000 0.000 0.278 186 L C -0.869 175.979 176.870 -0.036 0.000 0.996 186 L CA 0.143 54.978 54.840 -0.009 0.000 0.825 186 L CB 1.292 43.440 42.059 0.149 0.000 1.243 186 L HN 0.569 nan 8.230 nan 0.000 0.412 187 I N 4.546 125.085 120.570 -0.051 0.000 2.499 187 I HA 0.678 4.848 4.170 -0.000 0.000 0.288 187 I C 0.212 176.299 176.117 -0.050 0.000 1.048 187 I CA -0.439 60.837 61.300 -0.039 0.000 1.062 187 I CB 2.153 40.134 38.000 -0.032 0.000 1.238 187 I HN 0.737 nan 8.210 nan 0.000 0.426 188 G N 3.246 112.009 108.800 -0.061 0.000 2.461 188 G HA2 0.780 4.740 3.960 -0.000 0.000 0.323 188 G HA3 0.780 4.740 3.960 -0.000 0.000 0.323 188 G C -0.709 174.106 174.900 -0.141 0.000 1.229 188 G CA -0.699 44.339 45.100 -0.104 0.000 0.941 188 G HN 0.822 nan 8.290 nan 0.000 0.477 189 G N -0.039 108.661 108.800 -0.166 0.000 2.725 189 G HA2 0.574 4.534 3.960 -0.000 0.000 0.288 189 G HA3 0.574 4.534 3.960 -0.000 0.000 0.288 189 G C -0.796 173.970 174.900 -0.223 0.000 1.399 189 G CA -0.726 44.266 45.100 -0.181 0.000 0.859 189 G HN 0.676 nan 8.290 nan 0.000 0.479 190 E N -0.364 119.721 120.200 -0.191 0.000 2.467 190 E HA 0.117 4.467 4.350 -0.000 0.000 0.264 190 E C 0.202 176.739 176.600 -0.105 0.000 1.020 190 E CA 0.110 56.414 56.400 -0.159 0.000 0.945 190 E CB 0.320 29.974 29.700 -0.078 0.000 0.942 190 E HN 0.206 nan 8.360 nan 0.000 0.449 191 S N 2.434 118.083 115.700 -0.086 0.000 3.811 191 S HA 0.105 4.575 4.470 -0.000 0.000 0.205 191 S C -0.683 173.906 174.600 -0.018 0.000 1.445 191 S CA -0.077 58.095 58.200 -0.047 0.000 1.097 191 S CB -0.525 62.658 63.200 -0.030 0.000 1.350 191 S HN 0.460 nan 8.310 nan 0.000 0.471 192 S N -0.145 115.546 115.700 -0.014 0.000 2.537 192 S HA 0.536 5.006 4.470 -0.000 0.000 0.270 192 S C -2.837 171.768 174.600 0.009 0.000 1.142 192 S CA -1.392 56.810 58.200 0.004 0.000 0.870 192 S CB 1.692 64.900 63.200 0.014 0.000 1.112 192 S HN -0.044 nan 8.310 nan 0.000 0.466 193 P HA -0.157 nan 4.420 nan 0.000 0.216 193 P C 1.306 178.629 177.300 0.038 0.000 1.154 193 P CA 1.542 64.653 63.100 0.017 0.000 0.865 193 P CB 0.117 31.823 31.700 0.011 0.000 0.789 194 E N -0.761 119.470 120.200 0.052 0.000 2.072 194 E HA -0.123 4.227 4.350 -0.000 0.000 0.191 194 E C 2.216 178.899 176.600 0.139 0.000 0.985 194 E CA 1.257 57.723 56.400 0.111 0.000 0.801 194 E CB -0.880 28.881 29.700 0.103 0.000 0.750 194 E HN 0.143 nan 8.360 nan 0.000 0.452 195 G N 1.070 109.910 108.800 0.067 0.000 2.446 195 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.217 195 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.217 195 G C 1.521 176.419 174.900 -0.003 0.000 1.168 195 G CA 0.812 45.921 45.100 0.015 0.000 0.771 195 G HN 0.201 nan 8.290 nan 0.000 0.551 196 L N -0.244 120.982 121.223 0.005 0.000 2.201 196 L HA -0.011 4.329 4.340 -0.000 0.000 0.212 196 L C 2.917 179.795 176.870 0.014 0.000 1.105 196 L CA 1.047 55.885 54.840 -0.003 0.000 0.775 196 L CB -0.315 41.742 42.059 -0.002 0.000 0.913 196 L HN 0.261 nan 8.230 nan 0.000 0.440 197 Q N -0.241 119.589 119.800 0.051 0.000 1.993 197 Q HA -0.221 4.119 4.340 -0.000 0.000 0.202 197 Q C 2.430 178.466 176.000 0.060 0.000 0.984 197 Q CA 1.841 57.697 55.803 0.087 0.000 0.837 197 Q CB -0.207 28.634 28.738 0.171 0.000 0.902 197 Q HN 0.518 nan 8.270 nan 0.000 0.423 198 A N -0.188 122.646 122.820 0.023 0.000 1.927 198 A HA -0.216 4.104 4.320 -0.000 0.000 0.220 198 A C 2.225 179.727 177.584 -0.135 0.000 1.185 198 A CA 1.858 53.778 52.037 -0.195 0.000 0.639 198 A CB -0.962 17.839 19.000 -0.331 0.000 0.820 198 A HN 0.325 nan 8.150 nan 0.000 0.451 199 V N -0.395 119.474 119.914 -0.075 0.000 2.295 199 V HA -0.236 3.884 4.120 -0.000 0.000 0.246 199 V C 3.061 179.140 176.094 -0.026 0.000 1.049 199 V CA 1.917 64.186 62.300 -0.052 0.000 1.024 199 V CB -1.254 30.542 31.823 -0.046 0.000 0.648 199 V HN 0.648 nan 8.190 nan 0.000 0.447 200 A N -0.390 122.421 122.820 -0.015 0.000 1.940 200 A HA -0.231 4.089 4.320 -0.000 0.000 0.219 200 A C 2.173 179.759 177.584 0.003 0.000 1.176 200 A CA 1.831 53.867 52.037 -0.001 0.000 0.631 200 A CB -0.417 18.589 19.000 0.009 0.000 0.814 200 A HN 0.525 nan 8.150 nan 0.000 0.446 201 E N -0.648 119.546 120.200 -0.010 0.000 2.106 201 E HA -0.122 4.228 4.350 -0.000 0.000 0.192 201 E C 1.941 178.530 176.600 -0.019 0.000 0.984 201 E CA 0.896 57.287 56.400 -0.015 0.000 0.806 201 E CB -0.527 29.150 29.700 -0.038 0.000 0.750 201 E HN 0.509 nan 8.360 nan 0.000 0.458 202 L N 0.499 121.708 121.223 -0.024 0.000 2.093 202 L HA -0.096 4.244 4.340 -0.000 0.000 0.208 202 L C 2.232 179.180 176.870 0.130 0.000 1.085 202 L CA 1.067 55.930 54.840 0.040 0.000 0.755 202 L CB -0.389 41.707 42.059 0.062 0.000 0.904 202 L HN -0.101 nan 8.230 nan 0.000 0.435 203 V N -0.232 119.734 119.914 0.087 0.000 2.490 203 V HA -0.284 3.836 4.120 -0.000 0.000 0.250 203 V C 2.773 178.902 176.094 0.058 0.000 1.061 203 V CA 1.946 64.295 62.300 0.081 0.000 1.064 203 V CB -0.748 31.088 31.823 0.022 0.000 0.670 203 V HN 0.474 nan 8.190 nan 0.000 0.461 204 R N -0.243 120.279 120.500 0.037 0.000 2.075 204 R HA -0.076 4.264 4.340 -0.000 0.000 0.232 204 R C 2.308 178.630 176.300 0.036 0.000 1.126 204 R CA 1.476 57.595 56.100 0.032 0.000 0.963 204 R CB -0.246 30.073 30.300 0.033 0.000 0.858 204 R HN 0.451 nan 8.270 nan 0.000 0.435 205 I N -0.099 120.477 120.570 0.010 0.000 2.087 205 I HA -0.367 3.802 4.170 -0.000 0.000 0.240 205 I C 1.901 177.938 176.117 -0.134 0.000 1.054 205 I CA 1.807 63.081 61.300 -0.043 0.000 1.311 205 I CB -0.558 37.367 38.000 -0.125 0.000 1.024 205 I HN 0.247 nan 8.210 nan 0.000 0.402 206 Y N 0.547 120.757 120.300 -0.150 0.000 2.352 206 Y HA -0.185 4.365 4.550 -0.000 0.000 0.292 206 Y C 2.503 178.107 175.900 -0.494 0.000 1.136 206 Y CA 1.024 58.798 58.100 -0.543 0.000 1.227 206 Y CB -0.263 37.932 38.460 -0.442 0.000 0.991 206 Y HN 0.192 nan 8.280 nan 0.000 0.545 207 E N 0.094 120.249 120.200 -0.076 0.000 2.333 207 E HA -0.178 4.172 4.350 -0.000 0.000 0.198 207 E C 1.603 178.213 176.600 0.015 0.000 1.007 207 E CA 0.315 56.686 56.400 -0.049 0.000 0.845 207 E CB -0.101 29.594 29.700 -0.009 0.000 0.766 207 E HN 0.519 nan 8.360 nan 0.000 0.507 208 N N -0.064 118.693 118.700 0.095 0.000 2.205 208 N HA -0.186 4.554 4.740 -0.000 0.000 0.186 208 N C 1.389 177.111 175.510 0.354 0.000 1.015 208 N CA 1.635 54.833 53.050 0.247 0.000 0.862 208 N CB -0.031 38.678 38.487 0.370 0.000 0.986 208 N HN 0.499 nan 8.380 nan 0.000 0.429 209 W N -1.141 120.197 121.300 0.063 0.000 2.520 209 W HA 0.418 5.078 4.660 -0.000 0.000 0.272 209 W C -0.722 175.841 176.519 0.074 0.000 0.984 209 W CA -0.276 57.106 57.345 0.062 0.000 1.314 209 W CB 0.078 29.575 29.460 0.061 0.000 0.945 209 W HN -0.376 nan 8.180 nan 0.000 0.596 210 V N 4.946 124.648 119.914 -0.354 0.000 2.394 210 V HA 0.383 4.503 4.120 -0.000 0.000 0.282 210 V C -1.684 174.329 176.094 -0.134 0.000 1.031 210 V CA -2.156 59.976 62.300 -0.279 0.000 0.881 210 V CB 0.924 32.482 31.823 -0.442 0.000 0.982 210 V HN -0.212 nan 8.190 nan 0.000 0.451 211 P HA 0.069 nan 4.420 nan 0.000 0.266 211 P C 0.405 177.665 177.300 -0.066 0.000 1.193 211 P CA -0.200 62.872 63.100 -0.047 0.000 0.770 211 P CB 0.938 32.620 31.700 -0.030 0.000 0.836 212 R N 3.435 123.906 120.500 -0.049 0.000 2.115 212 R HA -0.105 4.235 4.340 -0.000 0.000 0.230 212 R C 1.697 177.962 176.300 -0.058 0.000 1.111 212 R CA 1.662 57.730 56.100 -0.052 0.000 0.976 212 R CB -1.098 29.181 30.300 -0.036 0.000 0.870 212 R HN 0.572 nan 8.270 nan 0.000 0.445 213 N N -0.197 118.473 118.700 -0.051 0.000 2.571 213 N HA -0.118 4.622 4.740 -0.000 0.000 0.189 213 N C 0.621 176.091 175.510 -0.067 0.000 1.154 213 N CA 0.525 53.543 53.050 -0.053 0.000 0.907 213 N CB 0.030 38.492 38.487 -0.041 0.000 0.977 213 N HN 0.219 nan 8.380 nan 0.000 0.449 214 R N 0.119 120.571 120.500 -0.081 0.000 2.437 214 R HA 0.375 4.715 4.340 -0.000 0.000 0.257 214 R C 0.017 176.239 176.300 -0.130 0.000 0.927 214 R CA -0.146 55.894 56.100 -0.101 0.000 1.078 214 R CB 0.818 31.060 30.300 -0.097 0.000 1.161 214 R HN 0.192 nan 8.270 nan 0.000 0.529 215 I N 2.017 122.513 120.570 -0.123 0.000 2.312 215 I HA 0.302 4.472 4.170 -0.000 0.000 0.290 215 I C -0.250 175.803 176.117 -0.107 0.000 1.008 215 I CA -0.451 60.765 61.300 -0.141 0.000 1.226 215 I CB 1.369 39.291 38.000 -0.130 0.000 1.371 215 I HN -0.165 nan 8.210 nan 0.000 0.468 216 I N 5.815 126.320 120.570 -0.109 0.000 2.433 216 I HA 0.338 4.508 4.170 -0.000 0.000 0.292 216 I C 0.059 176.133 176.117 -0.070 0.000 1.001 216 I CA -0.329 60.921 61.300 -0.083 0.000 1.119 216 I CB 2.153 40.102 38.000 -0.084 0.000 1.289 216 I HN 0.547 nan 8.210 nan 0.000 0.438 217 T N 1.358 115.877 114.554 -0.059 0.000 2.841 217 T HA 0.821 5.171 4.350 -0.000 0.000 0.283 217 T C -0.297 174.372 174.700 -0.051 0.000 1.000 217 T CA -0.631 61.436 62.100 -0.054 0.000 0.977 217 T CB 1.834 70.673 68.868 -0.049 0.000 0.979 217 T HN 0.696 nan 8.240 nan 0.000 0.446 218 T N -0.343 114.176 114.554 -0.057 0.000 2.778 218 T HA 0.615 4.965 4.350 -0.000 0.000 0.293 218 T C -0.343 174.304 174.700 -0.088 0.000 1.144 218 T CA -1.051 61.015 62.100 -0.057 0.000 1.010 218 T CB 0.976 69.819 68.868 -0.041 0.000 1.325 218 T HN 0.846 nan 8.240 nan 0.000 0.515 219 N N -0.233 118.406 118.700 -0.101 0.000 2.354 219 N HA 0.223 4.963 4.740 -0.000 0.000 0.246 219 N C 1.099 176.447 175.510 -0.270 0.000 1.285 219 N CA 0.163 53.096 53.050 -0.194 0.000 0.925 219 N CB -0.357 38.016 38.487 -0.190 0.000 1.174 219 N HN 0.636 nan 8.380 nan 0.000 0.478 220 T N -0.881 113.358 114.554 -0.526 0.000 2.788 220 T HA -0.115 4.235 4.350 -0.000 0.000 0.268 220 T C 1.198 175.724 174.700 -0.290 0.000 1.044 220 T CA 1.452 63.224 62.100 -0.548 0.000 1.139 220 T CB -0.499 67.806 68.868 -0.938 0.000 0.867 220 T HN 0.648 nan 8.240 nan 0.000 0.454 221 W N 1.470 122.772 121.300 0.003 0.000 2.418 221 W HA 0.015 4.675 4.660 -0.000 0.000 0.292 221 W C 2.869 179.389 176.519 0.001 0.000 1.213 221 W CA 0.048 57.394 57.345 0.002 0.000 1.283 221 W CB -0.596 28.865 29.460 0.002 0.000 1.119 221 W HN 0.086 nan 8.180 nan 0.000 0.542 222 S N 0.801 116.595 115.700 0.156 0.000 2.370 222 S HA -0.239 4.231 4.470 -0.000 0.000 0.226 222 S C 2.036 176.673 174.600 0.063 0.000 1.033 222 S CA 1.937 60.190 58.200 0.088 0.000 1.011 222 S CB -0.735 62.487 63.200 0.037 0.000 0.852 222 S HN 0.372 nan 8.310 nan 0.000 0.457 223 S N 1.822 117.544 115.700 0.037 0.000 2.357 223 S HA -0.054 4.416 4.470 -0.000 0.000 0.221 223 S C 1.678 176.311 174.600 0.055 0.000 1.031 223 S CA 0.827 59.047 58.200 0.034 0.000 0.982 223 S CB -0.564 62.634 63.200 -0.003 0.000 0.853 223 S HN 0.525 nan 8.310 nan 0.000 0.458 224 E N 1.137 121.385 120.200 0.078 0.000 2.038 224 E HA -0.130 4.220 4.350 -0.000 0.000 0.195 224 E C 2.084 178.727 176.600 0.072 0.000 1.000 224 E CA 1.278 57.730 56.400 0.086 0.000 0.803 224 E CB -0.385 29.411 29.700 0.160 0.000 0.750 224 E HN 0.353 nan 8.360 nan 0.000 0.448 225 L N 1.090 122.369 121.223 0.092 0.000 2.012 225 L HA -0.200 4.140 4.340 -0.000 0.000 0.210 225 L C 2.216 179.109 176.870 0.039 0.000 1.073 225 L CA 1.799 56.673 54.840 0.057 0.000 0.748 225 L CB -0.579 41.522 42.059 0.070 0.000 0.891 225 L HN -0.057 nan 8.230 nan 0.000 0.431 226 S N -0.630 115.103 115.700 0.055 0.000 2.383 226 S HA -0.251 4.219 4.470 -0.000 0.000 0.229 226 S C 1.935 176.595 174.600 0.100 0.000 1.030 226 S CA 1.592 59.828 58.200 0.060 0.000 1.002 226 S CB -0.335 62.907 63.200 0.069 0.000 0.829 226 S HN 0.415 nan 8.310 nan 0.000 0.467 227 K N 1.733 122.190 120.400 0.095 0.000 2.025 227 K HA 0.064 4.384 4.320 -0.000 0.000 0.207 227 K C 1.796 178.425 176.600 0.048 0.000 1.049 227 K CA 1.294 57.629 56.287 0.079 0.000 0.933 227 K CB -0.613 31.844 32.500 -0.072 0.000 0.714 227 K HN 0.326 nan 8.250 nan 0.000 0.438 228 L N -0.112 121.115 121.223 0.006 0.000 2.056 228 L HA -0.128 4.212 4.340 -0.000 0.000 0.207 228 L C 2.272 179.111 176.870 -0.052 0.000 1.078 228 L CA 0.856 55.679 54.840 -0.027 0.000 0.749 228 L CB -0.428 41.601 42.059 -0.050 0.000 0.901 228 L HN -0.013 nan 8.230 nan 0.000 0.433 229 V N 0.058 119.944 119.914 -0.046 0.000 2.427 229 V HA -0.224 3.896 4.120 -0.000 0.000 0.248 229 V C 2.761 178.905 176.094 0.084 0.000 1.051 229 V CA 1.618 63.887 62.300 -0.052 0.000 1.048 229 V CB -0.779 31.047 31.823 0.004 0.000 0.666 229 V HN 0.450 nan 8.190 nan 0.000 0.456 230 A N 0.489 123.349 122.820 0.066 0.000 1.908 230 A HA -0.240 4.080 4.320 -0.000 0.000 0.218 230 A C 2.065 179.722 177.584 0.121 0.000 1.181 230 A CA 2.162 54.239 52.037 0.067 0.000 0.627 230 A CB -0.653 18.393 19.000 0.076 0.000 0.818 230 A HN 0.566 nan 8.150 nan 0.000 0.445 231 N N 0.161 118.944 118.700 0.139 0.000 2.244 231 N HA -0.027 4.713 4.740 -0.000 0.000 0.183 231 N C 1.819 177.421 175.510 0.154 0.000 1.016 231 N CA 1.349 54.537 53.050 0.231 0.000 0.866 231 N CB -0.501 38.112 38.487 0.211 0.000 0.980 231 N HN 0.467 nan 8.380 nan 0.000 0.430 232 A N 0.152 122.998 122.820 0.042 0.000 1.898 232 A HA -0.068 4.252 4.320 -0.000 0.000 0.216 232 A C 2.014 179.668 177.584 0.116 0.000 1.181 232 A CA 0.862 52.869 52.037 -0.051 0.000 0.620 232 A CB -0.902 17.798 19.000 -0.499 0.000 0.819 232 A HN 0.175 nan 8.150 nan 0.000 0.442 233 F N 0.124 120.091 119.950 0.029 0.000 2.126 233 F HA -0.158 4.369 4.527 -0.000 0.000 0.299 233 F C 2.137 177.917 175.800 -0.033 0.000 1.096 233 F CA 1.608 59.672 58.000 0.107 0.000 1.255 233 F CB -0.297 38.738 39.000 0.058 0.000 0.997 233 F HN 0.111 nan 8.300 nan 0.000 0.479 234 L N -1.040 120.190 121.223 0.012 0.000 2.027 234 L HA -0.189 4.151 4.340 -0.000 0.000 0.206 234 L C 2.715 179.367 176.870 -0.364 0.000 1.074 234 L CA 1.148 55.816 54.840 -0.285 0.000 0.745 234 L CB -1.086 40.686 42.059 -0.478 0.000 0.898 234 L HN 0.104 nan 8.230 nan 0.000 0.433 235 A N -0.469 121.995 122.820 -0.594 0.000 1.902 235 A HA -0.295 4.025 4.320 -0.000 0.000 0.217 235 A C 2.267 179.656 177.584 -0.324 0.000 1.181 235 A CA 1.922 53.440 52.037 -0.864 0.000 0.623 235 A CB -0.632 17.816 19.000 -0.921 0.000 0.818 235 A HN 0.507 nan 8.150 nan 0.000 0.443 236 Q N -0.422 119.318 119.800 -0.101 0.000 2.096 236 Q HA -0.229 4.110 4.340 -0.000 0.000 0.204 236 Q C 2.259 178.248 176.000 -0.018 0.000 0.982 236 Q CA 1.727 57.513 55.803 -0.028 0.000 0.850 236 Q CB -0.127 28.596 28.738 -0.024 0.000 0.901 236 Q HN 0.688 nan 8.270 nan 0.000 0.422 237 R N -0.081 120.425 120.500 0.010 0.000 2.083 237 R HA -0.162 4.178 4.340 -0.000 0.000 0.237 237 R C 2.321 178.669 176.300 0.080 0.000 1.137 237 R CA 1.601 57.740 56.100 0.066 0.000 0.951 237 R CB -0.311 30.067 30.300 0.130 0.000 0.851 237 R HN 0.333 nan 8.270 nan 0.000 0.434 238 I N 0.526 121.145 120.570 0.082 0.000 2.142 238 I HA -0.227 3.943 4.170 -0.000 0.000 0.240 238 I C 2.187 178.399 176.117 0.158 0.000 1.078 238 I CA 1.513 62.884 61.300 0.119 0.000 1.343 238 I CB -1.243 36.853 38.000 0.160 0.000 1.046 238 I HN 0.067 nan 8.210 nan 0.000 0.405 239 S N 0.674 116.488 115.700 0.190 0.000 2.382 239 S HA -0.121 4.349 4.470 -0.000 0.000 0.228 239 S C 2.243 176.894 174.600 0.085 0.000 1.027 239 S CA 1.399 59.704 58.200 0.174 0.000 0.991 239 S CB -0.118 63.196 63.200 0.191 0.000 0.823 239 S HN 0.413 nan 8.310 nan 0.000 0.469 240 S N 1.421 117.145 115.700 0.039 0.000 2.359 240 S HA -0.071 4.399 4.470 -0.000 0.000 0.224 240 S C 1.817 176.445 174.600 0.046 0.000 1.035 240 S CA 1.112 59.320 58.200 0.014 0.000 1.018 240 S CB -0.354 62.842 63.200 -0.008 0.000 0.876 240 S HN 0.385 nan 8.310 nan 0.000 0.448 241 I N 2.420 123.029 120.570 0.064 0.000 2.439 241 I HA -0.087 4.083 4.170 -0.000 0.000 0.251 241 I C 1.662 177.830 176.117 0.084 0.000 1.139 241 I CA 1.010 62.351 61.300 0.068 0.000 1.438 241 I CB -0.360 37.679 38.000 0.065 0.000 1.085 241 I HN 0.107 nan 8.210 nan 0.000 0.427 242 N N 0.107 118.870 118.700 0.104 0.000 2.142 242 N HA -0.159 4.581 4.740 -0.000 0.000 0.186 242 N C 2.151 177.796 175.510 0.224 0.000 1.023 242 N CA 1.572 54.703 53.050 0.135 0.000 0.852 242 N CB -0.519 38.051 38.487 0.139 0.000 0.998 242 N HN 0.526 nan 8.380 nan 0.000 0.424 243 S N 0.816 116.639 115.700 0.204 0.000 2.370 243 S HA -0.100 4.370 4.470 -0.000 0.000 0.226 243 S C 1.849 176.547 174.600 0.163 0.000 1.033 243 S CA 0.839 59.149 58.200 0.183 0.000 1.011 243 S CB -0.401 62.796 63.200 -0.004 0.000 0.852 243 S HN 0.128 nan 8.310 nan 0.000 0.457 244 I N 3.311 123.945 120.570 0.107 0.000 2.546 244 I HA -0.067 4.103 4.170 -0.000 0.000 0.255 244 I C 2.919 179.097 176.117 0.101 0.000 1.163 244 I CA 1.264 62.616 61.300 0.087 0.000 1.457 244 I CB -2.007 36.028 38.000 0.060 0.000 1.092 244 I HN 0.623 nan 8.210 nan 0.000 0.434 245 S N 1.896 117.663 115.700 0.112 0.000 2.383 245 S HA -0.178 4.292 4.470 -0.000 0.000 0.229 245 S C 2.223 176.889 174.600 0.110 0.000 1.030 245 S CA 1.249 59.506 58.200 0.094 0.000 1.002 245 S CB -0.534 62.709 63.200 0.071 0.000 0.829 245 S HN 0.405 nan 8.310 nan 0.000 0.467 246 A N 1.127 124.049 122.820 0.171 0.000 1.968 246 A HA 0.179 4.499 4.320 -0.000 0.000 0.217 246 A C 2.385 180.059 177.584 0.151 0.000 1.169 246 A CA 1.307 53.457 52.037 0.188 0.000 0.638 246 A CB -0.881 18.357 19.000 0.396 0.000 0.812 246 A HN 0.481 nan 8.150 nan 0.000 0.446 247 V N -0.732 119.261 119.914 0.132 0.000 2.358 247 V HA -0.308 3.812 4.120 -0.000 0.000 0.246 247 V C 2.619 178.756 176.094 0.072 0.000 1.047 247 V CA 1.870 64.224 62.300 0.090 0.000 1.035 247 V CB -1.289 30.574 31.823 0.067 0.000 0.658 247 V HN 0.699 nan 8.190 nan 0.000 0.452 248 C N 0.225 119.567 119.300 0.070 0.000 2.376 248 C HA -0.233 4.226 4.460 -0.000 0.000 0.275 248 C C 2.729 177.755 174.990 0.060 0.000 1.200 248 C CA 1.531 60.584 59.018 0.059 0.000 1.756 248 C CB -1.092 26.682 27.740 0.057 0.000 2.050 248 C HN 0.634 nan 8.230 nan 0.000 0.460 249 E N 0.652 120.896 120.200 0.073 0.000 2.110 249 E HA -0.150 4.200 4.350 -0.000 0.000 0.193 249 E C 2.263 178.906 176.600 0.072 0.000 0.988 249 E CA 1.390 57.837 56.400 0.077 0.000 0.804 249 E CB -0.258 29.496 29.700 0.090 0.000 0.745 249 E HN 0.698 nan 8.360 nan 0.000 0.458 250 A N 0.693 123.557 122.820 0.073 0.000 2.067 250 A HA -0.089 4.231 4.320 -0.000 0.000 0.217 250 A C 2.210 179.824 177.584 0.051 0.000 1.156 250 A CA 1.622 53.698 52.037 0.064 0.000 0.683 250 A CB -0.342 18.700 19.000 0.070 0.000 0.808 250 A HN 0.365 nan 8.150 nan 0.000 0.455 251 T N -6.271 108.311 114.554 0.047 0.000 2.969 251 T HA 0.437 4.787 4.350 -0.000 0.000 0.250 251 T C 1.438 176.157 174.700 0.031 0.000 1.021 251 T CA 1.109 63.231 62.100 0.036 0.000 1.003 251 T CB 0.436 69.324 68.868 0.034 0.000 1.040 251 T HN 1.550 nan 8.240 nan 0.000 0.492 252 G N 1.597 110.417 108.800 0.033 0.000 2.176 252 G HA2 0.013 3.973 3.960 -0.000 0.000 0.232 252 G HA3 0.013 3.973 3.960 -0.000 0.000 0.232 252 G C 0.406 175.320 174.900 0.023 0.000 0.986 252 G CA -0.053 45.063 45.100 0.026 0.000 0.643 252 G HN 1.121 nan 8.290 nan 0.000 0.522 253 A N -0.149 122.688 122.820 0.028 0.000 2.429 253 A HA 0.568 4.888 4.320 -0.000 0.000 0.242 253 A C 0.390 177.992 177.584 0.029 0.000 1.088 253 A CA 0.420 52.474 52.037 0.027 0.000 0.784 253 A CB 0.308 19.326 19.000 0.031 0.000 1.038 253 A HN 0.304 nan 8.150 nan 0.000 0.501 254 E N 0.457 120.673 120.200 0.028 0.000 2.176 254 E HA 0.259 4.609 4.350 -0.000 0.000 0.267 254 E C 0.397 177.018 176.600 0.034 0.000 0.893 254 E CA -0.680 55.736 56.400 0.027 0.000 0.761 254 E CB 1.704 31.414 29.700 0.017 0.000 1.133 254 E HN 0.532 nan 8.360 nan 0.000 0.409 255 I N 2.318 122.910 120.570 0.037 0.000 2.394 255 I HA -0.233 3.937 4.170 -0.000 0.000 0.251 255 I C 1.743 177.887 176.117 0.045 0.000 1.136 255 I CA 1.594 62.920 61.300 0.044 0.000 1.425 255 I CB 0.013 38.040 38.000 0.045 0.000 1.079 255 I HN 0.320 nan 8.210 nan 0.000 0.425 256 S N 0.075 115.795 115.700 0.033 0.000 2.382 256 S HA -0.177 4.293 4.470 -0.000 0.000 0.228 256 S C 1.874 176.506 174.600 0.053 0.000 1.027 256 S CA 1.356 59.574 58.200 0.030 0.000 0.991 256 S CB -0.299 62.901 63.200 0.001 0.000 0.823 256 S HN 0.544 nan 8.310 nan 0.000 0.469 257 E N 0.487 120.716 120.200 0.049 0.000 2.047 257 E HA -0.093 4.257 4.350 -0.000 0.000 0.191 257 E C 2.151 178.805 176.600 0.090 0.000 0.987 257 E CA 1.122 57.566 56.400 0.073 0.000 0.799 257 E CB -0.189 29.537 29.700 0.043 0.000 0.752 257 E HN 0.233 nan 8.360 nan 0.000 0.449 258 V N 1.528 121.482 119.914 0.066 0.000 2.287 258 V HA -0.318 3.802 4.120 -0.000 0.000 0.248 258 V C 2.353 178.493 176.094 0.078 0.000 1.053 258 V CA 1.995 64.331 62.300 0.060 0.000 1.027 258 V CB -0.789 31.064 31.823 0.050 0.000 0.646 258 V HN 0.336 nan 8.190 nan 0.000 0.447 259 A N -1.232 121.644 122.820 0.094 0.000 1.902 259 A HA -0.293 4.027 4.320 -0.000 0.000 0.217 259 A C 2.241 179.923 177.584 0.164 0.000 1.181 259 A CA 2.088 54.192 52.037 0.111 0.000 0.623 259 A CB -0.915 18.144 19.000 0.099 0.000 0.818 259 A HN 0.739 nan 8.150 nan 0.000 0.443 260 H N -0.482 118.623 119.070 0.059 0.000 2.326 260 H HA -0.057 4.499 4.556 -0.000 0.000 0.301 260 H C 2.345 177.711 175.328 0.063 0.000 1.081 260 H CA 1.344 57.437 56.048 0.075 0.000 1.334 260 H CB -0.006 29.762 29.762 0.010 0.000 1.385 260 H HN 0.445 nan 8.280 nan 0.000 0.504 261 A N 0.445 123.247 122.820 -0.028 0.000 1.902 261 A HA -0.100 4.220 4.320 -0.000 0.000 0.217 261 A C 2.713 180.299 177.584 0.003 0.000 1.181 261 A CA 1.496 53.476 52.037 -0.094 0.000 0.623 261 A CB -0.784 18.188 19.000 -0.047 0.000 0.818 261 A HN 0.315 nan 8.150 nan 0.000 0.443 262 V N -0.282 119.661 119.914 0.048 0.000 2.379 262 V HA -0.116 4.004 4.120 -0.000 0.000 0.245 262 V C 2.784 178.929 176.094 0.086 0.000 1.044 262 V CA 1.824 64.161 62.300 0.061 0.000 1.036 262 V CB -1.256 30.602 31.823 0.059 0.000 0.664 262 V HN 0.603 nan 8.190 nan 0.000 0.453 263 G N -1.855 107.014 108.800 0.115 0.000 2.470 263 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.220 263 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.220 263 G C 1.381 176.352 174.900 0.117 0.000 1.121 263 G CA 0.505 45.678 45.100 0.123 0.000 0.766 263 G HN 0.525 nan 8.290 nan 0.000 0.553 264 Y N 0.684 120.951 120.300 -0.056 0.000 2.571 264 Y HA 0.080 4.630 4.550 -0.000 0.000 0.294 264 Y C 1.105 176.983 175.900 -0.036 0.000 1.141 264 Y CA -0.288 57.772 58.100 -0.067 0.000 1.308 264 Y CB 0.187 38.566 38.460 -0.135 0.000 1.002 264 Y HN 0.086 nan 8.280 nan 0.000 0.551 265 D N 0.143 120.598 120.400 0.092 0.000 2.363 265 D HA -0.056 4.584 4.640 -0.000 0.000 0.263 265 D C 1.325 177.631 176.300 0.011 0.000 1.258 265 D CA 0.595 54.622 54.000 0.045 0.000 0.907 265 D CB 1.056 41.882 40.800 0.044 0.000 1.107 265 D HN 0.372 nan 8.370 nan 0.000 0.495 266 T N 1.987 116.535 114.554 -0.010 0.000 2.929 266 T HA -0.151 4.199 4.350 -0.000 0.000 0.271 266 T C 1.653 176.346 174.700 -0.011 0.000 1.085 266 T CA 0.833 62.917 62.100 -0.028 0.000 1.125 266 T CB -0.002 68.845 68.868 -0.036 0.000 0.874 266 T HN 0.394 nan 8.240 nan 0.000 0.494 267 R N 0.226 120.728 120.500 0.003 0.000 2.153 267 R HA 0.337 4.676 4.340 -0.000 0.000 0.218 267 R C 2.246 178.560 176.300 0.023 0.000 1.072 267 R CA 0.848 56.954 56.100 0.010 0.000 0.990 267 R CB -0.298 30.012 30.300 0.016 0.000 0.889 267 R HN 0.436 nan 8.270 nan 0.000 0.452 268 I N -0.144 120.443 120.570 0.030 0.000 2.429 268 I HA 0.099 4.269 4.170 -0.000 0.000 0.247 268 I C 0.995 177.136 176.117 0.040 0.000 1.099 268 I CA 0.670 61.997 61.300 0.045 0.000 1.422 268 I CB -0.322 37.709 38.000 0.052 0.000 1.112 268 I HN 0.287 nan 8.210 nan 0.000 0.430 269 G N 0.929 109.743 108.800 0.023 0.000 2.733 269 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.686 269 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.686 269 G C 0.402 175.326 174.900 0.040 0.000 1.373 269 G CA -0.060 45.048 45.100 0.013 0.000 0.838 269 G HN 0.401 nan 8.290 nan 0.000 0.588 270 S N -0.481 115.238 115.700 0.032 0.000 2.556 270 S HA 0.291 4.761 4.470 -0.000 0.000 0.216 270 S C 0.783 175.443 174.600 0.101 0.000 0.970 270 S CA 0.619 58.858 58.200 0.066 0.000 0.912 270 S CB 0.275 63.495 63.200 0.033 0.000 0.790 270 S HN 0.668 nan 8.310 nan 0.000 0.504 271 K N 1.005 121.475 120.400 0.118 0.000 2.087 271 K HA 0.393 4.712 4.320 -0.000 0.000 0.255 271 K C -0.415 176.361 176.600 0.293 0.000 0.988 271 K CA -0.942 55.459 56.287 0.190 0.000 0.915 271 K CB -0.025 32.598 32.500 0.206 0.000 1.043 271 K HN 0.159 nan 8.250 nan 0.000 0.457 272 F N 0.433 120.400 119.950 0.029 0.000 3.074 272 F HA -0.223 4.304 4.527 -0.000 0.000 0.287 272 F C 0.274 176.084 175.800 0.018 0.000 0.932 272 F CA 0.378 58.386 58.000 0.015 0.000 0.995 272 F CB -1.286 37.710 39.000 -0.007 0.000 0.966 272 F HN 0.432 nan 8.300 nan 0.000 0.721 273 L N -0.179 121.101 121.223 0.096 0.000 3.289 273 L HA 0.213 4.553 4.340 -0.000 0.000 0.291 273 L C 0.638 177.529 176.870 0.035 0.000 1.279 273 L CA -0.205 54.682 54.840 0.077 0.000 1.025 273 L CB 0.538 42.656 42.059 0.098 0.000 1.413 273 L HN 0.056 nan 8.230 nan 0.000 0.593 274 Q N 2.310 122.098 119.800 -0.020 0.000 2.361 274 Q HA 0.451 4.791 4.340 -0.000 0.000 0.250 274 Q C 0.172 176.156 176.000 -0.027 0.000 1.023 274 Q CA -0.069 55.713 55.803 -0.035 0.000 0.915 274 Q CB 1.203 29.892 28.738 -0.083 0.000 1.238 274 Q HN 0.340 nan 8.270 nan 0.000 0.451 275 A N 3.753 126.572 122.820 -0.002 0.000 2.520 275 A HA 0.511 4.831 4.320 -0.000 0.000 0.235 275 A C -0.091 177.473 177.584 -0.033 0.000 1.065 275 A CA 0.546 52.583 52.037 -0.000 0.000 0.764 275 A CB 0.068 19.077 19.000 0.015 0.000 1.002 275 A HN 1.028 nan 8.150 nan 0.000 0.502 276 S N 0.059 115.729 115.700 -0.049 0.000 2.661 276 S HA 0.339 4.809 4.470 -0.000 0.000 0.268 276 S C 0.383 174.883 174.600 -0.166 0.000 1.162 276 S CA 0.121 58.260 58.200 -0.102 0.000 0.817 276 S CB 0.776 63.929 63.200 -0.079 0.000 1.141 276 S HN 1.665 nan 8.310 nan 0.000 0.477 277 V N 0.600 120.349 119.914 -0.275 0.000 2.759 277 V HA 0.415 4.535 4.120 -0.000 0.000 0.256 277 V C 0.969 176.928 176.094 -0.226 0.000 1.080 277 V CA 2.280 64.353 62.300 -0.378 0.000 1.101 277 V CB -0.350 31.117 31.823 -0.593 0.000 0.698 277 V HN 1.769 nan 8.190 nan 0.000 0.477 278 G N -0.978 107.727 108.800 -0.159 0.000 2.368 278 G HA2 0.248 4.208 3.960 -0.000 0.000 0.303 278 G HA3 0.248 4.208 3.960 -0.000 0.000 0.303 278 G C -0.720 174.132 174.900 -0.080 0.000 1.590 278 G CA -0.457 44.542 45.100 -0.167 0.000 0.938 278 G HN 0.652 nan 8.290 nan 0.000 0.675 279 F N 0.590 120.560 119.950 0.034 0.000 2.545 279 F HA 0.703 5.230 4.527 -0.000 0.000 0.348 279 F C 0.772 176.671 175.800 0.166 0.000 1.163 279 F CA 0.132 58.199 58.000 0.110 0.000 1.331 279 F CB 0.650 39.704 39.000 0.091 0.000 1.138 279 F HN 0.905 nan 8.300 nan 0.000 0.602 280 G N -0.636 108.485 108.800 0.536 0.000 2.947 280 G HA2 0.699 4.659 3.960 -0.000 0.000 0.293 280 G HA3 0.699 4.659 3.960 -0.000 0.000 0.293 280 G C -0.544 174.375 174.900 0.032 0.000 1.243 280 G CA -0.493 44.797 45.100 0.316 0.000 0.802 280 G HN 1.805 nan 8.290 nan 0.000 0.560 281 G N -1.659 106.748 108.800 -0.654 0.000 2.612 281 G HA2 0.310 4.270 3.960 -0.000 0.000 0.686 281 G HA3 0.310 4.270 3.960 -0.000 0.000 0.686 281 G C 0.864 175.444 174.900 -0.534 0.000 1.274 281 G CA 0.570 44.896 45.100 -1.290 0.000 0.849 281 G HN 2.016 nan 8.290 nan 0.000 0.595 282 S N -1.728 113.682 115.700 -0.484 0.000 2.607 282 S HA 0.102 4.572 4.470 -0.000 0.000 0.224 282 S C 1.803 176.270 174.600 -0.221 0.000 0.969 282 S CA 1.839 59.882 58.200 -0.262 0.000 0.927 282 S CB -0.272 62.802 63.200 -0.210 0.000 0.772 282 S HN 1.128 nan 8.310 nan 0.000 0.533 283 C N -0.324 118.784 119.300 -0.319 0.000 2.406 283 C HA 0.457 4.916 4.460 -0.000 0.000 0.343 283 C C 2.035 176.912 174.990 -0.187 0.000 1.397 283 C CA -0.343 58.481 59.018 -0.324 0.000 2.069 283 C CB -1.310 26.100 27.740 -0.551 0.000 2.374 283 C HN 0.514 nan 8.230 nan 0.000 0.545 284 F N 1.816 121.753 119.950 -0.021 0.000 2.074 284 F HA -0.090 4.437 4.527 -0.000 0.000 0.293 284 F C 2.727 178.557 175.800 0.050 0.000 1.116 284 F CA 1.743 59.713 58.000 -0.051 0.000 1.212 284 F CB -1.295 37.579 39.000 -0.211 0.000 0.998 284 F HN 0.256 nan 8.300 nan 0.000 0.471 285 Q N 0.779 120.816 119.800 0.395 0.000 2.061 285 Q HA -0.262 4.078 4.340 -0.000 0.000 0.204 285 Q C 2.350 178.443 176.000 0.154 0.000 0.984 285 Q CA 2.070 58.061 55.803 0.313 0.000 0.846 285 Q CB -0.213 28.673 28.738 0.246 0.000 0.902 285 Q HN 0.361 nan 8.270 nan 0.000 0.421 286 K N -0.141 120.310 120.400 0.086 0.000 2.020 286 K HA -0.223 4.097 4.320 -0.000 0.000 0.212 286 K C 1.433 178.052 176.600 0.032 0.000 1.050 286 K CA 2.057 58.363 56.287 0.032 0.000 0.929 286 K CB -0.060 32.433 32.500 -0.011 0.000 0.714 286 K HN 0.284 nan 8.250 nan 0.000 0.443 287 D N -0.027 120.393 120.400 0.033 0.000 2.183 287 D HA -0.098 4.542 4.640 -0.000 0.000 0.203 287 D C 1.948 178.259 176.300 0.019 0.000 0.969 287 D CA 0.765 54.775 54.000 0.017 0.000 0.842 287 D CB -0.070 40.734 40.800 0.008 0.000 0.957 287 D HN 0.051 nan 8.370 nan 0.000 0.484 288 V N 0.957 120.907 119.914 0.059 0.000 2.343 288 V HA -0.180 3.940 4.120 -0.000 0.000 0.247 288 V C 2.538 178.682 176.094 0.083 0.000 1.051 288 V CA 1.089 63.427 62.300 0.062 0.000 1.036 288 V CB -0.356 31.556 31.823 0.148 0.000 0.654 288 V HN 0.216 nan 8.190 nan 0.000 0.451 289 L N -0.560 120.719 121.223 0.094 0.000 2.156 289 L HA -0.100 4.240 4.340 -0.000 0.000 0.208 289 L C 2.618 179.545 176.870 0.096 0.000 1.095 289 L CA 1.126 56.023 54.840 0.096 0.000 0.770 289 L CB -0.479 41.624 42.059 0.074 0.000 0.914 289 L HN 0.308 nan 8.230 nan 0.000 0.439 290 S N 0.280 116.018 115.700 0.063 0.000 2.359 290 S HA -0.204 4.266 4.470 -0.000 0.000 0.224 290 S C 1.836 176.490 174.600 0.089 0.000 1.035 290 S CA 1.417 59.661 58.200 0.074 0.000 1.018 290 S CB -0.318 62.900 63.200 0.030 0.000 0.876 290 S HN 0.262 nan 8.310 nan 0.000 0.448 291 L N 1.726 122.962 121.223 0.021 0.000 2.083 291 L HA -0.005 4.335 4.340 -0.000 0.000 0.209 291 L C 2.148 179.037 176.870 0.031 0.000 1.083 291 L CA 1.520 56.337 54.840 -0.038 0.000 0.752 291 L CB -0.695 41.241 42.059 -0.206 0.000 0.899 291 L HN 0.126 nan 8.230 nan 0.000 0.433 292 V N -1.093 118.880 119.914 0.098 0.000 2.358 292 V HA -0.310 3.810 4.120 -0.000 0.000 0.246 292 V C 2.278 178.452 176.094 0.133 0.000 1.047 292 V CA 1.942 64.330 62.300 0.148 0.000 1.035 292 V CB -0.868 31.057 31.823 0.170 0.000 0.658 292 V HN 0.616 nan 8.190 nan 0.000 0.452 293 Y N 0.490 120.809 120.300 0.032 0.000 2.128 293 Y HA -0.273 4.277 4.550 -0.000 0.000 0.284 293 Y C 2.242 178.148 175.900 0.009 0.000 1.154 293 Y CA 1.957 60.068 58.100 0.018 0.000 1.149 293 Y CB -0.344 38.120 38.460 0.007 0.000 0.976 293 Y HN 0.219 nan 8.280 nan 0.000 0.505 294 L N -0.050 121.163 121.223 -0.016 0.000 1.990 294 L HA -0.288 4.052 4.340 -0.000 0.000 0.213 294 L C 2.451 179.242 176.870 -0.131 0.000 1.072 294 L CA 2.236 57.014 54.840 -0.105 0.000 0.755 294 L CB -1.378 40.669 42.059 -0.019 0.000 0.889 294 L HN 0.454 nan 8.230 nan 0.000 0.432 295 C N -0.193 119.078 119.300 -0.050 0.000 2.413 295 C HA -0.177 4.283 4.460 -0.000 0.000 0.276 295 C C 2.558 177.513 174.990 -0.058 0.000 1.236 295 C CA 1.132 60.141 59.018 -0.016 0.000 1.735 295 C CB -1.113 26.671 27.740 0.073 0.000 2.031 295 C HN 0.618 nan 8.230 nan 0.000 0.474 296 E N 0.576 120.723 120.200 -0.089 0.000 2.085 296 E HA -0.189 4.161 4.350 -0.000 0.000 0.194 296 E C 2.281 178.774 176.600 -0.179 0.000 0.994 296 E CA 1.636 57.968 56.400 -0.113 0.000 0.801 296 E CB -0.236 29.403 29.700 -0.102 0.000 0.743 296 E HN 0.544 nan 8.360 nan 0.000 0.453 297 S N 0.612 116.121 115.700 -0.318 0.000 2.419 297 S HA -0.057 4.413 4.470 -0.000 0.000 0.233 297 S C 1.660 176.158 174.600 -0.170 0.000 1.016 297 S CA 0.699 58.717 58.200 -0.304 0.000 0.974 297 S CB -0.008 62.926 63.200 -0.443 0.000 0.786 297 S HN 0.194 nan 8.310 nan 0.000 0.492 298 L N 1.187 122.329 121.223 -0.135 0.000 2.627 298 L HA 0.225 4.564 4.340 -0.000 0.000 0.232 298 L C -0.195 176.638 176.870 -0.061 0.000 1.150 298 L CA -0.124 54.664 54.840 -0.088 0.000 0.917 298 L CB -0.923 41.093 42.059 -0.071 0.000 1.104 298 L HN 0.280 nan 8.230 nan 0.000 0.445 299 N N 0.692 119.355 118.700 -0.062 0.000 2.714 299 N HA -0.207 4.533 4.740 -0.000 0.000 0.252 299 N C -0.408 175.087 175.510 -0.024 0.000 1.014 299 N CA 0.174 53.200 53.050 -0.040 0.000 0.735 299 N CB -1.156 37.311 38.487 -0.033 0.000 0.924 299 N HN 0.311 nan 8.380 nan 0.000 0.540 300 L N -0.018 121.195 121.223 -0.017 0.000 2.709 300 L HA 0.291 4.631 4.340 -0.000 0.000 0.236 300 L C -1.343 175.539 176.870 0.020 0.000 1.266 300 L CA -1.490 53.352 54.840 0.004 0.000 0.987 300 L CB 0.667 42.734 42.059 0.015 0.000 1.306 300 L HN 0.024 nan 8.230 nan 0.000 0.467 301 P HA -0.158 nan 4.420 nan 0.000 0.220 301 P C 0.931 178.254 177.300 0.037 0.000 1.148 301 P CA 1.091 64.205 63.100 0.023 0.000 0.803 301 P CB 0.425 32.131 31.700 0.011 0.000 0.782 302 Q N -0.077 119.738 119.800 0.026 0.000 2.084 302 Q HA -0.091 4.249 4.340 -0.000 0.000 0.202 302 Q C 2.289 178.322 176.000 0.054 0.000 0.978 302 Q CA 1.397 57.214 55.803 0.024 0.000 0.844 302 Q CB -1.527 27.208 28.738 -0.006 0.000 0.898 302 Q HN 0.118 nan 8.270 nan 0.000 0.426 303 V N 0.827 120.785 119.914 0.075 0.000 2.379 303 V HA -0.206 3.914 4.120 -0.000 0.000 0.245 303 V C 2.223 178.491 176.094 0.290 0.000 1.044 303 V CA 1.480 63.879 62.300 0.165 0.000 1.036 303 V CB -1.240 30.691 31.823 0.180 0.000 0.664 303 V HN 0.429 nan 8.190 nan 0.000 0.453 304 A N 0.400 123.340 122.820 0.200 0.000 1.873 304 A HA -0.317 4.003 4.320 -0.000 0.000 0.218 304 A C 1.990 179.681 177.584 0.178 0.000 1.193 304 A CA 2.417 54.569 52.037 0.192 0.000 0.629 304 A CB -0.771 18.292 19.000 0.105 0.000 0.826 304 A HN 0.534 nan 8.150 nan 0.000 0.447 305 D N -2.028 118.443 120.400 0.118 0.000 2.117 305 D HA -0.138 4.502 4.640 -0.000 0.000 0.197 305 D C 1.685 178.018 176.300 0.055 0.000 0.987 305 D CA 1.488 55.532 54.000 0.073 0.000 0.829 305 D CB -0.486 40.341 40.800 0.044 0.000 0.961 305 D HN 0.610 nan 8.370 nan 0.000 0.460 306 Y N -0.172 120.070 120.300 -0.097 0.000 2.128 306 Y HA -0.241 4.309 4.550 -0.000 0.000 0.284 306 Y C 1.984 177.674 175.900 -0.349 0.000 1.154 306 Y CA 1.716 59.651 58.100 -0.275 0.000 1.149 306 Y CB -0.558 37.659 38.460 -0.404 0.000 0.976 306 Y HN 0.001 nan 8.280 nan 0.000 0.505 307 W N -0.023 121.320 121.300 0.070 0.000 2.436 307 W HA -0.107 4.552 4.660 -0.000 0.000 0.284 307 W C 2.554 179.051 176.519 -0.036 0.000 1.225 307 W CA 1.030 58.362 57.345 -0.022 0.000 1.271 307 W CB -0.634 28.869 29.460 0.072 0.000 1.114 307 W HN 0.084 nan 8.180 nan 0.000 0.559 308 Q N 0.808 120.710 119.800 0.171 0.000 2.197 308 Q HA -0.124 4.216 4.340 -0.000 0.000 0.207 308 Q C 2.272 178.287 176.000 0.025 0.000 0.984 308 Q CA 2.234 58.097 55.803 0.100 0.000 0.869 308 Q CB -0.951 27.832 28.738 0.076 0.000 0.906 308 Q HN 0.233 nan 8.270 nan 0.000 0.426 309 G N -0.571 108.184 108.800 -0.074 0.000 2.469 309 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.220 309 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.220 309 G C 1.432 176.278 174.900 -0.090 0.000 1.136 309 G CA 1.160 46.174 45.100 -0.143 0.000 0.759 309 G HN 0.329 nan 8.290 nan 0.000 0.562 310 V N 1.589 121.476 119.914 -0.046 0.000 2.287 310 V HA -0.189 3.931 4.120 -0.000 0.000 0.248 310 V C 2.784 178.994 176.094 0.194 0.000 1.053 310 V CA 1.439 63.792 62.300 0.089 0.000 1.027 310 V CB -0.379 31.542 31.823 0.164 0.000 0.646 310 V HN 0.302 nan 8.190 nan 0.000 0.447 311 I N 0.510 121.186 120.570 0.177 0.000 2.286 311 I HA -0.121 4.049 4.170 -0.000 0.000 0.245 311 I C 2.315 178.465 176.117 0.055 0.000 1.104 311 I CA 1.242 62.627 61.300 0.141 0.000 1.397 311 I CB -1.683 36.395 38.000 0.129 0.000 1.072 311 I HN 0.360 nan 8.210 nan 0.000 0.417 312 N N 1.482 120.205 118.700 0.039 0.000 2.061 312 N HA -0.183 4.557 4.740 -0.000 0.000 0.193 312 N C 1.872 177.417 175.510 0.060 0.000 1.030 312 N CA 1.321 54.384 53.050 0.022 0.000 0.856 312 N CB -0.344 38.126 38.487 -0.028 0.000 1.023 312 N HN 0.223 nan 8.380 nan 0.000 0.424 313 I N 1.161 121.755 120.570 0.040 0.000 2.226 313 I HA -0.209 3.961 4.170 -0.000 0.000 0.245 313 I C 1.923 178.173 176.117 0.222 0.000 1.100 313 I CA 1.039 62.427 61.300 0.147 0.000 1.374 313 I CB -1.201 36.837 38.000 0.064 0.000 1.057 313 I HN 0.158 nan 8.210 nan 0.000 0.413 314 N N 1.615 120.341 118.700 0.043 0.000 2.069 314 N HA -0.189 4.551 4.740 -0.000 0.000 0.191 314 N C 1.512 176.962 175.510 -0.100 0.000 1.031 314 N CA 1.562 54.508 53.050 -0.174 0.000 0.852 314 N CB -0.138 37.976 38.487 -0.621 0.000 1.018 314 N HN 0.256 nan 8.380 nan 0.000 0.423 315 N N -0.708 117.973 118.700 -0.031 0.000 2.188 315 N HA -0.140 4.600 4.740 -0.000 0.000 0.184 315 N C 1.424 176.998 175.510 0.107 0.000 1.018 315 N CA 0.797 53.852 53.050 0.008 0.000 0.858 315 N CB -0.599 37.895 38.487 0.011 0.000 0.989 315 N HN 0.502 nan 8.380 nan 0.000 0.426 316 W N 2.113 123.385 121.300 -0.047 0.000 2.388 316 W HA -0.141 4.519 4.660 0.000 0.000 0.294 316 W C 2.400 178.908 176.519 -0.018 0.000 1.212 316 W CA 1.202 58.527 57.345 -0.032 0.000 1.271 316 W CB -0.267 29.174 29.460 -0.033 0.000 1.126 316 W HN 0.057 nan 8.180 nan 0.000 0.535 317 Q N 0.842 120.599 119.800 -0.071 0.000 2.061 317 Q HA -0.213 4.127 4.340 -0.000 0.000 0.204 317 Q C 2.227 178.098 176.000 -0.216 0.000 0.984 317 Q CA 2.507 58.122 55.803 -0.313 0.000 0.846 317 Q CB -0.279 28.393 28.738 -0.110 0.000 0.902 317 Q HN 0.325 nan 8.270 nan 0.000 0.421 318 R N -0.720 119.727 120.500 -0.089 0.000 2.066 318 R HA -0.102 4.238 4.340 -0.000 0.000 0.232 318 R C 2.390 178.755 176.300 0.109 0.000 1.131 318 R CA 1.455 57.573 56.100 0.030 0.000 0.955 318 R CB -0.283 30.055 30.300 0.063 0.000 0.851 318 R HN 0.086 nan 8.270 nan 0.000 0.432 319 R N 1.703 122.207 120.500 0.006 0.000 2.073 319 R HA -0.139 4.201 4.340 -0.000 0.000 0.234 319 R C 2.220 178.377 176.300 -0.238 0.000 1.134 319 R CA 2.024 58.000 56.100 -0.207 0.000 0.952 319 R CB -0.322 29.857 30.300 -0.201 0.000 0.850 319 R HN 0.290 nan 8.270 nan 0.000 0.433 320 R N -0.996 119.307 120.500 -0.328 0.000 2.115 320 R HA -0.121 4.219 4.340 -0.000 0.000 0.230 320 R C 2.098 178.269 176.300 -0.215 0.000 1.111 320 R CA 1.566 57.455 56.100 -0.351 0.000 0.976 320 R CB -0.873 29.043 30.300 -0.641 0.000 0.870 320 R HN 0.320 nan 8.270 nan 0.000 0.445 321 F N 2.034 121.804 119.950 -0.299 0.000 2.146 321 F HA 0.075 4.602 4.527 -0.000 0.000 0.298 321 F C 2.435 178.071 175.800 -0.275 0.000 1.096 321 F CA 1.280 59.136 58.000 -0.240 0.000 1.275 321 F CB -0.411 38.482 39.000 -0.178 0.000 1.008 321 F HN 0.130 nan 8.300 nan 0.000 0.480 322 A N -0.092 122.637 122.820 -0.153 0.000 1.933 322 A HA -0.187 4.133 4.320 -0.000 0.000 0.218 322 A C 1.951 179.329 177.584 -0.343 0.000 1.175 322 A CA 1.964 53.850 52.037 -0.251 0.000 0.628 322 A CB -0.987 18.007 19.000 -0.010 0.000 0.814 322 A HN 0.420 nan 8.150 nan 0.000 0.444 323 D N -0.223 120.003 120.400 -0.290 0.000 2.144 323 D HA -0.105 4.534 4.640 -0.000 0.000 0.199 323 D C 1.922 178.036 176.300 -0.310 0.000 0.984 323 D CA 1.222 55.066 54.000 -0.259 0.000 0.834 323 D CB -0.201 40.475 40.800 -0.207 0.000 0.955 323 D HN 0.493 nan 8.370 nan 0.000 0.465 324 K N 0.109 120.275 120.400 -0.391 0.000 2.057 324 K HA -0.046 4.274 4.320 -0.000 0.000 0.206 324 K C 2.271 178.490 176.600 -0.636 0.000 1.050 324 K CA 0.562 56.585 56.287 -0.440 0.000 0.935 324 K CB -0.031 32.221 32.500 -0.413 0.000 0.715 324 K HN 0.168 nan 8.250 nan 0.000 0.439 325 I N 1.029 120.995 120.570 -1.006 0.000 2.163 325 I HA -0.314 3.856 4.170 -0.000 0.000 0.243 325 I C 2.225 178.008 176.117 -0.557 0.000 1.085 325 I CA 1.426 62.009 61.300 -1.194 0.000 1.347 325 I CB -0.313 36.980 38.000 -1.179 0.000 1.044 325 I HN 0.096 nan 8.210 nan 0.000 0.408 326 I N 0.628 120.953 120.570 -0.407 0.000 2.226 326 I HA -0.273 3.897 4.170 -0.000 0.000 0.245 326 I C 2.791 178.792 176.117 -0.193 0.000 1.100 326 I CA 1.338 62.489 61.300 -0.249 0.000 1.374 326 I CB -0.526 37.358 38.000 -0.192 0.000 1.057 326 I HN 0.185 nan 8.210 nan 0.000 0.413 327 A N 0.541 123.243 122.820 -0.196 0.000 1.858 327 A HA -0.282 4.038 4.320 -0.000 0.000 0.216 327 A C 2.239 179.752 177.584 -0.119 0.000 1.190 327 A CA 2.139 54.100 52.037 -0.127 0.000 0.617 327 A CB -0.660 18.265 19.000 -0.124 0.000 0.827 327 A HN 0.408 nan 8.150 nan 0.000 0.443 328 E N -0.454 119.644 120.200 -0.170 0.000 2.160 328 E HA -0.139 4.211 4.350 -0.000 0.000 0.195 328 E C 0.699 177.121 176.600 -0.297 0.000 0.991 328 E CA 0.852 57.167 56.400 -0.141 0.000 0.810 328 E CB -0.289 29.384 29.700 -0.045 0.000 0.742 328 E HN 0.358 nan 8.360 nan 0.000 0.466 329 L N 0.550 121.583 121.223 -0.315 0.000 2.888 329 L HA 0.245 4.585 4.340 -0.000 0.000 0.237 329 L C -0.220 176.421 176.870 -0.383 0.000 1.288 329 L CA 0.489 55.044 54.840 -0.474 0.000 1.110 329 L CB -1.097 40.799 42.059 -0.270 0.000 1.441 329 L HN 0.206 nan 8.230 nan 0.000 0.474 330 F N -1.520 118.429 119.950 -0.003 0.000 2.988 330 F HA -0.381 4.146 4.527 -0.000 0.000 0.287 330 F C 1.335 177.120 175.800 -0.025 0.000 0.781 330 F CA 0.375 58.372 58.000 -0.006 0.000 1.221 330 F CB -2.018 36.984 39.000 0.005 0.000 1.392 330 F HN 0.412 nan 8.300 nan 0.000 0.425 331 N N -0.116 118.619 118.700 0.059 0.000 2.753 331 N HA -0.230 4.510 4.740 -0.000 0.000 0.251 331 N C -0.287 175.230 175.510 0.011 0.000 1.097 331 N CA 1.659 54.716 53.050 0.012 0.000 0.786 331 N CB -0.590 37.908 38.487 0.020 0.000 1.137 331 N HN 0.625 nan 8.380 nan 0.000 0.566 332 T N -1.304 113.263 114.554 0.023 0.000 2.928 332 T HA 0.568 4.918 4.350 -0.000 0.000 0.296 332 T C 0.398 175.077 174.700 -0.035 0.000 1.000 332 T CA -0.036 62.068 62.100 0.007 0.000 0.989 332 T CB 1.096 69.985 68.868 0.035 0.000 1.005 332 T HN 0.487 nan 8.240 nan 0.000 0.442 333 V N 1.514 121.399 119.914 -0.048 0.000 3.276 333 V HA 0.421 4.541 4.120 -0.000 0.000 0.319 333 V C 0.637 176.704 176.094 -0.045 0.000 1.476 333 V CA -0.357 61.894 62.300 -0.082 0.000 1.097 333 V CB -0.293 31.471 31.823 -0.098 0.000 0.988 333 V HN 0.785 nan 8.190 nan 0.000 0.473 334 T N 2.847 117.393 114.554 -0.013 0.000 2.871 334 T HA 0.161 4.511 4.350 -0.000 0.000 0.296 334 T C 0.660 175.357 174.700 -0.006 0.000 0.998 334 T CA 1.326 63.435 62.100 0.016 0.000 1.162 334 T CB 0.102 68.959 68.868 -0.018 0.000 0.947 334 T HN 0.677 nan 8.240 nan 0.000 0.536 335 D N -0.123 120.289 120.400 0.019 0.000 2.978 335 D HA -0.151 4.489 4.640 -0.000 0.000 0.205 335 D C 0.332 176.625 176.300 -0.012 0.000 1.093 335 D CA 1.352 55.359 54.000 0.011 0.000 1.006 335 D CB -0.464 40.342 40.800 0.010 0.000 1.116 335 D HN 0.636 nan 8.370 nan 0.000 0.419 336 K N 1.352 121.716 120.400 -0.061 0.000 2.201 336 K HA 0.238 4.558 4.320 -0.000 0.000 0.278 336 K C 0.031 176.589 176.600 -0.069 0.000 1.027 336 K CA -0.467 55.726 56.287 -0.157 0.000 0.909 336 K CB 1.122 33.425 32.500 -0.328 0.000 1.062 336 K HN -0.143 nan 8.250 nan 0.000 0.465 337 K N 5.527 125.953 120.400 0.044 0.000 2.312 337 K HA 0.218 4.538 4.320 -0.000 0.000 0.287 337 K C -0.879 175.776 176.600 0.091 0.000 1.062 337 K CA -0.286 56.056 56.287 0.091 0.000 0.934 337 K CB 0.451 33.025 32.500 0.124 0.000 1.027 337 K HN 0.563 nan 8.250 nan 0.000 0.478 338 I N 3.275 123.868 120.570 0.037 0.000 2.466 338 I HA 0.291 4.461 4.170 -0.000 0.000 0.289 338 I C -0.352 175.772 176.117 0.012 0.000 1.026 338 I CA -0.922 60.387 61.300 0.015 0.000 1.078 338 I CB 2.027 40.010 38.000 -0.028 0.000 1.249 338 I HN 0.605 nan 8.210 nan 0.000 0.429 339 A N 7.530 130.339 122.820 -0.019 0.000 2.309 339 A HA 0.743 5.063 4.320 -0.000 0.000 0.298 339 A C -0.524 177.007 177.584 -0.088 0.000 1.165 339 A CA -0.386 51.637 52.037 -0.024 0.000 0.821 339 A CB 0.487 19.453 19.000 -0.055 0.000 1.102 339 A HN 0.535 nan 8.150 nan 0.000 0.500 340 I N 2.914 123.522 120.570 0.063 0.000 2.355 340 I HA 0.234 4.404 4.170 -0.000 0.000 0.288 340 I C -0.740 175.560 176.117 0.305 0.000 0.999 340 I CA -0.177 61.187 61.300 0.105 0.000 1.163 340 I CB 0.495 38.590 38.000 0.159 0.000 1.316 340 I HN 0.578 nan 8.210 nan 0.000 0.454 341 F N 4.489 124.380 119.950 -0.098 0.000 2.350 341 F HA 0.550 5.077 4.527 -0.000 0.000 0.365 341 F C 1.030 176.790 175.800 -0.066 0.000 1.122 341 F CA -0.596 57.173 58.000 -0.385 0.000 1.139 341 F CB 1.427 39.742 39.000 -1.141 0.000 1.220 341 F HN 0.680 nan 8.300 nan 0.000 0.499 342 G N 2.849 111.927 108.800 0.464 0.000 3.069 342 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.686 342 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.686 342 G C -1.120 174.050 174.900 0.451 0.000 1.161 342 G CA -0.775 44.701 45.100 0.628 0.000 0.804 342 G HN 0.617 nan 8.290 nan 0.000 0.608 343 F N 1.955 122.070 119.950 0.274 0.000 2.754 343 F HA 0.649 5.176 4.527 -0.000 0.000 0.316 343 F C 1.716 177.625 175.800 0.182 0.000 0.959 343 F CA 1.344 59.447 58.000 0.173 0.000 1.148 343 F CB 0.226 39.287 39.000 0.102 0.000 0.951 343 F HN 1.090 nan 8.300 nan 0.000 0.625 344 A N 0.861 123.910 122.820 0.381 0.000 2.406 344 A HA 0.167 4.487 4.320 -0.000 0.000 0.243 344 A C 0.876 178.507 177.584 0.079 0.000 1.082 344 A CA 0.160 52.344 52.037 0.244 0.000 0.786 344 A CB -0.542 18.614 19.000 0.261 0.000 1.029 344 A HN 0.603 nan 8.150 nan 0.000 0.495 345 F N 0.226 120.170 119.950 -0.009 0.000 2.333 345 F HA 0.118 4.645 4.527 -0.000 0.000 0.300 345 F C 0.647 176.415 175.800 -0.054 0.000 1.083 345 F CA 1.099 59.078 58.000 -0.035 0.000 1.395 345 F CB -0.232 38.765 39.000 -0.005 0.000 1.056 345 F HN 0.614 nan 8.300 nan 0.000 0.529 346 K N 0.200 120.150 120.400 -0.750 0.000 2.615 346 K HA 0.303 4.623 4.320 -0.000 0.000 0.291 346 K C -1.197 174.933 176.600 -0.784 0.000 1.017 346 K CA -1.171 54.692 56.287 -0.707 0.000 0.882 346 K CB 1.148 33.119 32.500 -0.881 0.000 1.522 346 K HN 0.148 nan 8.250 nan 0.000 0.412 347 K N 0.910 120.797 120.400 -0.855 0.000 2.286 347 K HA 0.113 4.433 4.320 -0.000 0.000 0.256 347 K C -0.495 175.467 176.600 -1.063 0.000 0.999 347 K CA 0.112 55.576 56.287 -1.371 0.000 0.908 347 K CB -0.009 31.887 32.500 -1.006 0.000 0.981 347 K HN 0.720 nan 8.250 nan 0.000 0.500 348 N N -0.679 117.229 118.700 -1.320 0.000 2.780 348 N HA -0.163 4.577 4.740 -0.000 0.000 0.248 348 N C -1.182 174.240 175.510 -0.147 0.000 1.102 348 N CA 1.622 54.437 53.050 -0.391 0.000 0.697 348 N CB -1.540 36.816 38.487 -0.219 0.000 1.028 348 N HN 0.862 nan 8.380 nan 0.000 0.554 349 T N -3.039 111.460 114.554 -0.091 0.000 2.840 349 T HA 0.595 4.945 4.350 -0.000 0.000 0.317 349 T C 0.808 175.637 174.700 0.214 0.000 1.401 349 T CA 0.093 62.227 62.100 0.056 0.000 1.028 349 T CB 1.341 70.173 68.868 -0.060 0.000 1.317 349 T HN 0.067 nan 8.240 nan 0.000 0.495 350 G N 0.966 109.880 108.800 0.191 0.000 3.088 350 G HA2 0.176 4.136 3.960 -0.000 0.000 0.217 350 G HA3 0.176 4.136 3.960 -0.000 0.000 0.217 350 G C 0.241 175.264 174.900 0.205 0.000 1.159 350 G CA -0.077 45.142 45.100 0.199 0.000 0.760 350 G HN 0.680 nan 8.290 nan 0.000 0.550 351 D N 1.167 121.695 120.400 0.214 0.000 2.417 351 D HA 0.165 4.805 4.640 -0.000 0.000 0.250 351 D C 1.457 177.965 176.300 0.347 0.000 1.166 351 D CA 0.375 54.532 54.000 0.262 0.000 0.881 351 D CB 1.331 42.330 40.800 0.333 0.000 1.164 351 D HN 0.107 nan 8.370 nan 0.000 0.467 352 T N 0.549 115.256 114.554 0.255 0.000 3.085 352 T HA 0.235 4.585 4.350 -0.000 0.000 0.264 352 T C 0.843 175.610 174.700 0.113 0.000 1.019 352 T CA -0.494 61.742 62.100 0.226 0.000 0.910 352 T CB 0.075 69.117 68.868 0.290 0.000 1.059 352 T HN 0.210 nan 8.240 nan 0.000 0.542 353 R N 2.359 122.885 120.500 0.043 0.000 2.442 353 R HA 0.185 4.525 4.340 -0.000 0.000 0.291 353 R C 0.128 176.373 176.300 -0.093 0.000 1.069 353 R CA -0.222 55.850 56.100 -0.048 0.000 1.022 353 R CB 0.135 30.370 30.300 -0.109 0.000 0.976 353 R HN 0.211 nan 8.270 nan 0.000 0.443 354 E N -0.245 119.949 120.200 -0.010 0.000 2.604 354 E HA -0.235 4.115 4.350 -0.000 0.000 0.255 354 E C -0.389 176.257 176.600 0.078 0.000 1.164 354 E CA 0.989 57.424 56.400 0.058 0.000 0.737 354 E CB -1.433 28.284 29.700 0.028 0.000 1.317 354 E HN 0.585 nan 8.360 nan 0.000 0.417 355 S N -0.377 115.346 115.700 0.038 0.000 2.546 355 S HA 0.128 4.598 4.470 -0.000 0.000 0.290 355 S C 1.538 176.135 174.600 -0.006 0.000 1.290 355 S CA 0.444 58.659 58.200 0.026 0.000 1.069 355 S CB 0.884 64.001 63.200 -0.139 0.000 0.846 355 S HN 0.231 nan 8.310 nan 0.000 0.495 356 S N 4.490 120.196 115.700 0.009 0.000 2.400 356 S HA -0.133 4.337 4.470 -0.000 0.000 0.232 356 S C 2.218 176.766 174.600 -0.087 0.000 1.025 356 S CA 1.229 59.415 58.200 -0.022 0.000 0.993 356 S CB -0.641 62.523 63.200 -0.061 0.000 0.808 356 S HN 0.889 nan 8.310 nan 0.000 0.478 357 A N 1.622 124.340 122.820 -0.171 0.000 1.917 357 A HA -0.135 4.185 4.320 -0.000 0.000 0.219 357 A C 2.021 179.410 177.584 -0.325 0.000 1.182 357 A CA 1.442 53.338 52.037 -0.235 0.000 0.633 357 A CB -0.789 18.017 19.000 -0.322 0.000 0.819 357 A HN 0.504 nan 8.150 nan 0.000 0.448 358 I N -1.029 119.234 120.570 -0.512 0.000 2.118 358 I HA -0.322 3.848 4.170 -0.000 0.000 0.241 358 I C 2.518 178.368 176.117 -0.445 0.000 1.070 358 I CA 1.714 62.726 61.300 -0.480 0.000 1.327 358 I CB -0.593 37.077 38.000 -0.551 0.000 1.034 358 I HN 0.449 nan 8.210 nan 0.000 0.405 359 H N -0.247 118.688 119.070 -0.225 0.000 2.395 359 H HA -0.030 4.526 4.556 -0.000 0.000 0.299 359 H C 2.501 177.524 175.328 -0.507 0.000 1.070 359 H CA 1.377 57.221 56.048 -0.339 0.000 1.356 359 H CB -0.243 29.356 29.762 -0.272 0.000 1.401 359 H HN 0.208 nan 8.280 nan 0.000 0.524 360 V N 1.442 121.261 119.914 -0.160 0.000 2.343 360 V HA -0.218 3.902 4.120 -0.000 0.000 0.247 360 V C 2.675 178.738 176.094 -0.052 0.000 1.051 360 V CA 1.449 63.723 62.300 -0.043 0.000 1.036 360 V CB -0.531 31.353 31.823 0.102 0.000 0.654 360 V HN 0.248 nan 8.190 nan 0.000 0.451 361 I N 0.035 120.568 120.570 -0.061 0.000 2.226 361 I HA -0.279 3.890 4.170 -0.000 0.000 0.245 361 I C 2.607 178.695 176.117 -0.048 0.000 1.100 361 I CA 1.893 63.182 61.300 -0.018 0.000 1.374 361 I CB -0.459 37.572 38.000 0.051 0.000 1.057 361 I HN 0.311 nan 8.210 nan 0.000 0.413 362 K N 0.495 120.825 120.400 -0.117 0.000 2.044 362 K HA -0.283 4.037 4.320 -0.000 0.000 0.210 362 K C 2.252 178.834 176.600 -0.030 0.000 1.049 362 K CA 1.889 58.112 56.287 -0.107 0.000 0.927 362 K CB -0.225 32.177 32.500 -0.162 0.000 0.713 362 K HN 0.347 nan 8.250 nan 0.000 0.443 363 H N 0.793 119.854 119.070 -0.013 0.000 2.352 363 H HA -0.110 4.446 4.556 -0.000 0.000 0.299 363 H C 2.208 177.504 175.328 -0.053 0.000 1.097 363 H CA 1.573 57.603 56.048 -0.029 0.000 1.311 363 H CB -0.371 29.370 29.762 -0.034 0.000 1.377 363 H HN 0.233 nan 8.280 nan 0.000 0.504 364 L N -0.409 120.850 121.223 0.059 0.000 2.109 364 L HA -0.128 4.212 4.340 -0.000 0.000 0.207 364 L C 2.608 179.463 176.870 -0.024 0.000 1.086 364 L CA 0.766 55.600 54.840 -0.010 0.000 0.760 364 L CB -0.372 41.665 42.059 -0.036 0.000 0.910 364 L HN 0.195 nan 8.230 nan 0.000 0.437 365 M N -0.512 119.069 119.600 -0.033 0.000 2.159 365 M HA -0.225 4.255 4.480 -0.000 0.000 0.263 365 M C 2.030 178.245 176.300 -0.142 0.000 1.063 365 M CA 1.649 56.900 55.300 -0.082 0.000 1.110 365 M CB -0.322 32.233 32.600 -0.075 0.000 1.374 365 M HN 0.199 nan 8.290 nan 0.000 0.411 366 E N 0.040 120.200 120.200 -0.066 0.000 2.267 366 E HA -0.169 4.181 4.350 -0.000 0.000 0.197 366 E C 1.244 177.852 176.600 0.013 0.000 0.998 366 E CA 0.747 57.119 56.400 -0.046 0.000 0.830 366 E CB 0.057 29.771 29.700 0.024 0.000 0.751 366 E HN 0.482 nan 8.360 nan 0.000 0.491 367 E N -0.199 120.016 120.200 0.025 0.000 2.465 367 E HA -0.012 4.338 4.350 -0.000 0.000 0.191 367 E C -0.381 176.326 176.600 0.179 0.000 1.053 367 E CA 0.000 56.456 56.400 0.092 0.000 0.869 367 E CB 0.198 29.908 29.700 0.017 0.000 0.977 367 E HN 0.373 nan 8.360 nan 0.000 0.483 368 H N -0.878 118.183 119.070 -0.015 0.000 2.820 368 H HA -0.164 4.392 4.556 -0.000 0.000 0.295 368 H C 0.404 175.718 175.328 -0.024 0.000 1.187 368 H CA 0.431 56.470 56.048 -0.014 0.000 1.144 368 H CB -1.758 27.997 29.762 -0.012 0.000 1.354 368 H HN 0.217 nan 8.280 nan 0.000 0.395 369 A N 1.238 124.078 122.820 0.032 0.000 2.483 369 A HA 0.263 4.583 4.320 -0.000 0.000 0.238 369 A C 0.678 178.264 177.584 0.004 0.000 1.070 369 A CA 0.163 52.199 52.037 -0.003 0.000 0.770 369 A CB 0.379 19.358 19.000 -0.034 0.000 1.008 369 A HN 0.350 nan 8.150 nan 0.000 0.497 370 K N 1.381 121.784 120.400 0.006 0.000 2.264 370 K HA 0.456 4.776 4.320 -0.000 0.000 0.277 370 K C -1.261 175.350 176.600 0.018 0.000 1.067 370 K CA 0.190 56.487 56.287 0.016 0.000 0.900 370 K CB 0.708 33.223 32.500 0.025 0.000 1.124 370 K HN 0.569 nan 8.250 nan 0.000 0.469 371 L N 2.214 123.449 121.223 0.020 0.000 2.282 371 L HA 0.329 4.669 4.340 -0.000 0.000 0.288 371 L C -0.203 176.695 176.870 0.047 0.000 1.033 371 L CA -0.520 54.339 54.840 0.032 0.000 0.807 371 L CB 1.742 43.822 42.059 0.035 0.000 1.209 371 L HN 0.456 nan 8.230 nan 0.000 0.423 372 S N 2.583 118.321 115.700 0.063 0.000 2.422 372 S HA 0.533 5.003 4.470 -0.000 0.000 0.308 372 S C -0.170 174.506 174.600 0.128 0.000 1.097 372 S CA -0.591 57.659 58.200 0.083 0.000 1.099 372 S CB 1.422 64.674 63.200 0.085 0.000 0.976 372 S HN 0.275 nan 8.310 nan 0.000 0.471 373 V N 4.679 124.668 119.914 0.126 0.000 2.398 373 V HA 0.421 4.541 4.120 -0.000 0.000 0.286 373 V C -0.940 175.277 176.094 0.206 0.000 1.026 373 V CA -0.752 61.648 62.300 0.167 0.000 0.868 373 V CB 0.987 32.871 31.823 0.102 0.000 0.982 373 V HN 0.834 nan 8.190 nan 0.000 0.443 374 Y N 4.047 124.426 120.300 0.133 0.000 2.331 374 Y HA 0.610 5.160 4.550 -0.000 0.000 0.334 374 Y C -0.701 175.271 175.900 0.120 0.000 0.960 374 Y CA -0.821 57.318 58.100 0.064 0.000 1.130 374 Y CB 1.576 40.026 38.460 -0.015 0.000 1.164 374 Y HN 0.718 nan 8.280 nan 0.000 0.458 375 D N 7.350 127.371 120.400 -0.630 0.000 2.646 375 D HA 0.317 4.957 4.640 -0.000 0.000 0.245 375 D C -2.307 173.286 176.300 -1.178 0.000 1.099 375 D CA -2.167 51.392 54.000 -0.734 0.000 0.849 375 D CB 3.185 43.900 40.800 -0.142 0.000 1.448 375 D HN 0.326 nan 8.370 nan 0.000 0.489 376 P HA -0.049 nan 4.420 nan 0.000 0.222 376 P C 0.689 177.585 177.300 -0.673 0.000 1.147 376 P CA 1.142 63.623 63.100 -1.031 0.000 0.790 376 P CB 0.525 31.463 31.700 -1.270 0.000 0.780 377 K N -1.533 118.512 120.400 -0.592 0.000 2.485 377 K HA 0.127 4.447 4.320 -0.000 0.000 0.200 377 K C 0.109 176.667 176.600 -0.071 0.000 1.352 377 K CA 0.234 56.387 56.287 -0.222 0.000 0.953 377 K CB 0.071 32.563 32.500 -0.015 0.000 1.387 377 K HN -0.274 nan 8.250 nan 0.000 0.512 378 V N 3.992 123.894 119.914 -0.020 0.000 2.617 378 V HA -0.008 4.112 4.120 -0.000 0.000 0.304 378 V C 0.045 176.107 176.094 -0.054 0.000 1.040 378 V CA 0.271 62.589 62.300 0.030 0.000 1.149 378 V CB 0.795 32.688 31.823 0.115 0.000 0.914 378 V HN 0.352 nan 8.190 nan 0.000 0.487 379 Q N 3.274 123.053 119.800 -0.035 0.000 2.352 379 Q HA 0.102 4.442 4.340 -0.000 0.000 0.260 379 Q C 1.332 177.273 176.000 -0.097 0.000 0.976 379 Q CA -0.077 55.692 55.803 -0.057 0.000 0.881 379 Q CB 0.718 29.437 28.738 -0.031 0.000 1.235 379 Q HN 0.656 nan 8.270 nan 0.000 0.419 380 K N 1.221 121.564 120.400 -0.094 0.000 2.059 380 K HA -0.274 4.046 4.320 -0.000 0.000 0.212 380 K C 1.825 178.361 176.600 -0.107 0.000 1.050 380 K CA 2.152 58.373 56.287 -0.110 0.000 0.927 380 K CB -0.076 32.381 32.500 -0.070 0.000 0.714 380 K HN 0.724 nan 8.250 nan 0.000 0.447 381 S N 0.037 115.696 115.700 -0.069 0.000 2.368 381 S HA -0.215 4.255 4.470 -0.000 0.000 0.224 381 S C 2.102 176.672 174.600 -0.050 0.000 1.029 381 S CA 1.164 59.334 58.200 -0.051 0.000 0.988 381 S CB -0.436 62.746 63.200 -0.030 0.000 0.838 381 S HN 0.397 nan 8.310 nan 0.000 0.462 382 Q N 1.337 121.110 119.800 -0.045 0.000 2.061 382 Q HA -0.023 4.317 4.340 -0.000 0.000 0.204 382 Q C 2.182 178.148 176.000 -0.057 0.000 0.984 382 Q CA 1.941 57.734 55.803 -0.018 0.000 0.846 382 Q CB -0.576 28.174 28.738 0.021 0.000 0.902 382 Q HN 0.652 nan 8.270 nan 0.000 0.421 383 M N -0.677 118.790 119.600 -0.221 0.000 2.065 383 M HA -0.216 4.264 4.480 -0.000 0.000 0.259 383 M C 2.069 178.219 176.300 -0.250 0.000 1.069 383 M CA 1.589 56.573 55.300 -0.526 0.000 1.110 383 M CB -0.403 31.744 32.600 -0.755 0.000 1.328 383 M HN 0.284 nan 8.290 nan 0.000 0.405 384 L N -0.277 120.850 121.223 -0.160 0.000 2.046 384 L HA -0.233 4.107 4.340 -0.000 0.000 0.208 384 L C 2.148 178.999 176.870 -0.032 0.000 1.077 384 L CA 0.922 55.714 54.840 -0.081 0.000 0.747 384 L CB -0.938 41.082 42.059 -0.065 0.000 0.896 384 L HN 0.356 nan 8.230 nan 0.000 0.432 385 N N -0.106 118.581 118.700 -0.021 0.000 2.188 385 N HA -0.160 4.580 4.740 -0.000 0.000 0.184 385 N C 1.461 176.988 175.510 0.029 0.000 1.018 385 N CA 1.158 54.211 53.050 0.006 0.000 0.858 385 N CB -0.306 38.187 38.487 0.009 0.000 0.989 385 N HN 0.288 nan 8.380 nan 0.000 0.426 386 D N 0.954 121.390 120.400 0.059 0.000 2.084 386 D HA -0.066 4.574 4.640 -0.000 0.000 0.194 386 D C 2.166 178.512 176.300 0.077 0.000 0.990 386 D CA 0.616 54.679 54.000 0.105 0.000 0.826 386 D CB -0.322 40.634 40.800 0.260 0.000 0.971 386 D HN 0.198 nan 8.370 nan 0.000 0.453 387 L N 0.535 121.814 121.223 0.095 0.000 2.131 387 L HA -0.127 4.213 4.340 -0.000 0.000 0.210 387 L C 2.467 179.345 176.870 0.013 0.000 1.092 387 L CA 0.974 55.847 54.840 0.055 0.000 0.759 387 L CB -0.372 41.726 42.059 0.064 0.000 0.903 387 L HN -0.022 nan 8.230 nan 0.000 0.435 388 A N 0.054 122.881 122.820 0.011 0.000 1.969 388 A HA -0.185 4.135 4.320 -0.000 0.000 0.218 388 A C 2.516 180.104 177.584 0.007 0.000 1.169 388 A CA 1.688 53.728 52.037 0.004 0.000 0.635 388 A CB -0.549 18.453 19.000 0.004 0.000 0.810 388 A HN 0.505 nan 8.150 nan 0.000 0.445 389 S N -0.076 115.630 115.700 0.011 0.000 2.447 389 S HA -0.079 4.391 4.470 -0.000 0.000 0.233 389 S C 1.513 176.119 174.600 0.009 0.000 1.006 389 S CA 1.438 59.646 58.200 0.013 0.000 0.957 389 S CB -0.710 62.502 63.200 0.019 0.000 0.773 389 S HN 1.093 nan 8.310 nan 0.000 0.507 390 V N -0.847 119.064 119.914 -0.005 0.000 3.643 390 V HA 0.321 4.441 4.120 -0.000 0.000 0.280 390 V C 1.279 177.369 176.094 -0.006 0.000 1.351 390 V CA 0.707 63.002 62.300 -0.008 0.000 1.073 390 V CB -0.540 31.252 31.823 -0.050 0.000 0.863 390 V HN 0.711 nan 8.190 nan 0.000 0.436 391 T N -1.230 113.319 114.554 -0.008 0.000 2.206 391 T HA 0.587 4.936 4.350 -0.000 0.000 0.168 391 T C 0.534 175.232 174.700 -0.003 0.000 0.753 391 T CA 0.578 62.671 62.100 -0.010 0.000 1.041 391 T CB 0.713 69.566 68.868 -0.025 0.000 2.919 391 T HN 1.237 nan 8.240 nan 0.000 0.392 392 S N -0.836 114.860 115.700 -0.007 0.000 2.565 392 S HA 0.710 5.180 4.470 -0.000 0.000 0.269 392 S C 1.105 175.704 174.600 -0.002 0.000 1.153 392 S CA -0.227 57.973 58.200 -0.001 0.000 0.835 392 S CB 1.083 64.284 63.200 0.002 0.000 1.122 392 S HN 1.107 nan 8.310 nan 0.000 0.462 393 A N 1.029 123.850 122.820 0.001 0.000 1.940 393 A HA -0.147 4.173 4.320 -0.000 0.000 0.219 393 A C 2.126 179.709 177.584 -0.001 0.000 1.176 393 A CA 2.093 54.130 52.037 0.000 0.000 0.631 393 A CB -1.130 17.872 19.000 0.003 0.000 0.814 393 A HN 0.922 nan 8.150 nan 0.000 0.446 394 Q N -0.651 119.149 119.800 0.001 0.000 2.079 394 Q HA -0.209 4.131 4.340 -0.000 0.000 0.200 394 Q C 1.330 177.329 176.000 -0.001 0.000 0.974 394 Q CA 1.634 57.439 55.803 0.004 0.000 0.840 394 Q CB -0.171 28.572 28.738 0.009 0.000 0.898 394 Q HN 0.593 nan 8.270 nan 0.000 0.430 395 D N 0.146 120.540 120.400 -0.010 0.000 2.104 395 D HA -0.179 4.461 4.640 -0.000 0.000 0.194 395 D C 1.933 178.218 176.300 -0.026 0.000 0.994 395 D CA 1.626 55.609 54.000 -0.028 0.000 0.830 395 D CB -0.426 40.346 40.800 -0.046 0.000 0.959 395 D HN 0.316 nan 8.370 nan 0.000 0.452 396 V N 0.614 120.517 119.914 -0.018 0.000 2.427 396 V HA -0.202 3.918 4.120 -0.000 0.000 0.248 396 V C 2.158 178.246 176.094 -0.010 0.000 1.051 396 V CA 2.132 64.423 62.300 -0.015 0.000 1.048 396 V CB -0.241 31.573 31.823 -0.014 0.000 0.666 396 V HN -0.055 nan 8.190 nan 0.000 0.456 397 E N 0.792 120.988 120.200 -0.006 0.000 2.077 397 E HA -0.227 4.123 4.350 -0.000 0.000 0.193 397 E C 2.270 178.872 176.600 0.003 0.000 0.989 397 E CA 1.813 58.212 56.400 -0.002 0.000 0.800 397 E CB -0.352 29.349 29.700 0.001 0.000 0.746 397 E HN 0.606 nan 8.360 nan 0.000 0.452 398 R N -0.756 119.748 120.500 0.006 0.000 2.081 398 R HA 0.040 4.380 4.340 -0.000 0.000 0.235 398 R C 1.993 178.301 176.300 0.014 0.000 1.131 398 R CA 1.571 57.680 56.100 0.015 0.000 0.960 398 R CB -0.078 30.236 30.300 0.023 0.000 0.856 398 R HN 0.260 nan 8.270 nan 0.000 0.436 399 L N -0.568 120.656 121.223 0.001 0.000 2.642 399 L HA 0.281 4.621 4.340 -0.000 0.000 0.233 399 L C -0.161 176.711 176.870 0.004 0.000 1.077 399 L CA -0.313 54.527 54.840 -0.000 0.000 0.879 399 L CB 0.548 42.592 42.059 -0.026 0.000 1.151 399 L HN 0.009 nan 8.230 nan 0.000 0.495 400 I N 1.096 121.666 120.570 0.001 0.000 2.354 400 I HA 0.241 4.411 4.170 -0.000 0.000 0.292 400 I C 0.275 176.393 176.117 0.002 0.000 0.989 400 I CA 0.077 61.378 61.300 0.002 0.000 1.188 400 I CB 1.472 39.467 38.000 -0.008 0.000 1.342 400 I HN -0.018 nan 8.210 nan 0.000 0.457 401 T N 4.448 119.008 114.554 0.011 0.000 2.824 401 T HA 0.604 4.954 4.350 -0.000 0.000 0.282 401 T C -0.630 174.078 174.700 0.013 0.000 0.993 401 T CA -0.701 61.405 62.100 0.011 0.000 0.967 401 T CB 1.922 70.802 68.868 0.020 0.000 0.960 401 T HN 0.380 nan 8.240 nan 0.000 0.441 402 V N 3.045 122.957 119.914 -0.002 0.000 2.427 402 V HA 0.693 4.813 4.120 -0.000 0.000 0.286 402 V C -0.693 175.420 176.094 0.031 0.000 1.034 402 V CA -0.410 61.890 62.300 -0.001 0.000 0.893 402 V CB 1.244 33.032 31.823 -0.058 0.000 0.982 402 V HN 0.998 nan 8.190 nan 0.000 0.452 403 E N 3.541 123.789 120.200 0.080 0.000 2.244 403 E HA 0.419 4.769 4.350 -0.000 0.000 0.266 403 E C 0.360 177.059 176.600 0.166 0.000 0.914 403 E CA -0.049 56.407 56.400 0.094 0.000 0.794 403 E CB 2.121 31.875 29.700 0.089 0.000 1.210 403 E HN 0.875 nan 8.360 nan 0.000 0.414 404 S N -0.140 115.621 115.700 0.101 0.000 2.556 404 S HA 0.107 4.577 4.470 -0.000 0.000 0.216 404 S C 0.253 174.853 174.600 0.000 0.000 0.970 404 S CA -0.222 58.063 58.200 0.140 0.000 0.912 404 S CB 0.364 63.598 63.200 0.056 0.000 0.790 404 S HN 0.436 nan 8.310 nan 0.000 0.504 405 D N 1.204 121.469 120.400 -0.224 0.000 2.936 405 D HA 0.249 4.889 4.640 -0.000 0.000 0.238 405 D C -2.370 173.535 176.300 -0.659 0.000 1.248 405 D CA -1.806 51.900 54.000 -0.489 0.000 0.903 405 D CB 2.628 43.325 40.800 -0.171 0.000 1.544 405 D HN -0.143 nan 8.370 nan 0.000 0.543 406 P HA -0.128 nan 4.420 nan 0.000 0.218 406 P C 1.099 178.144 177.300 -0.425 0.000 1.149 406 P CA 0.962 63.527 63.100 -0.891 0.000 0.817 406 P CB 0.252 31.192 31.700 -1.267 0.000 0.785 407 Y N 0.666 120.841 120.300 -0.208 0.000 2.263 407 Y HA 0.019 4.569 4.550 -0.000 0.000 0.292 407 Y C 2.882 178.764 175.900 -0.029 0.000 1.130 407 Y CA 1.032 59.091 58.100 -0.068 0.000 1.179 407 Y CB -1.511 36.898 38.460 -0.085 0.000 0.998 407 Y HN -0.058 nan 8.280 nan 0.000 0.532 408 A N 0.438 123.303 122.820 0.076 0.000 1.883 408 A HA -0.194 4.126 4.320 -0.000 0.000 0.217 408 A C 2.466 180.087 177.584 0.060 0.000 1.186 408 A CA 2.024 54.089 52.037 0.046 0.000 0.624 408 A CB -1.271 17.734 19.000 0.008 0.000 0.822 408 A HN 0.409 nan 8.150 nan 0.000 0.444 409 A N -0.327 122.535 122.820 0.070 0.000 1.902 409 A HA 0.156 4.476 4.320 -0.000 0.000 0.217 409 A C 2.439 180.107 177.584 0.140 0.000 1.181 409 A CA 2.142 54.260 52.037 0.135 0.000 0.623 409 A CB -0.915 18.229 19.000 0.240 0.000 0.818 409 A HN 1.128 nan 8.150 nan 0.000 0.443 410 A N -0.887 122.034 122.820 0.169 0.000 2.119 410 A HA 0.101 4.421 4.320 -0.000 0.000 0.216 410 A C 1.482 179.119 177.584 0.089 0.000 1.152 410 A CA 0.450 52.570 52.037 0.138 0.000 0.708 410 A CB -0.300 18.824 19.000 0.206 0.000 0.805 410 A HN 0.483 nan 8.150 nan 0.000 0.460 411 R N -0.097 120.454 120.500 0.086 0.000 2.458 411 R HA 0.305 4.645 4.340 -0.000 0.000 0.303 411 R C 1.200 177.510 176.300 0.017 0.000 1.013 411 R CA 0.980 57.111 56.100 0.051 0.000 1.026 411 R CB -0.243 30.088 30.300 0.052 0.000 0.948 411 R HN 0.681 nan 8.270 nan 0.000 0.417 412 G N 2.309 111.093 108.800 -0.027 0.000 2.168 412 G HA2 -0.356 3.604 3.960 -0.000 0.000 0.263 412 G HA3 -0.356 3.604 3.960 -0.000 0.000 0.263 412 G C 0.187 175.053 174.900 -0.056 0.000 0.977 412 G CA 0.241 45.306 45.100 -0.059 0.000 0.659 412 G HN 0.919 nan 8.290 nan 0.000 0.533 413 A N -0.443 122.362 122.820 -0.026 0.000 2.407 413 A HA 0.615 4.935 4.320 -0.000 0.000 0.248 413 A C 1.074 178.634 177.584 -0.041 0.000 1.082 413 A CA 0.629 52.681 52.037 0.025 0.000 0.785 413 A CB 0.188 19.207 19.000 0.032 0.000 1.020 413 A HN 0.497 nan 8.150 nan 0.000 0.489 414 H N 0.626 119.676 119.070 -0.033 0.000 2.520 414 H HA 0.297 4.853 4.556 -0.000 0.000 0.279 414 H C 0.759 176.091 175.328 0.008 0.000 0.990 414 H CA 1.086 57.112 56.048 -0.035 0.000 1.288 414 H CB 0.478 30.216 29.762 -0.039 0.000 1.446 414 H HN 0.739 nan 8.280 nan 0.000 0.538 415 A N 1.341 124.249 122.820 0.147 0.000 2.435 415 A HA 0.541 4.861 4.320 -0.000 0.000 0.304 415 A C -0.858 176.752 177.584 0.044 0.000 1.064 415 A CA -0.589 51.535 52.037 0.145 0.000 0.727 415 A CB 1.827 20.929 19.000 0.170 0.000 1.284 415 A HN 0.024 nan 8.150 nan 0.000 0.415 416 I N 1.515 122.089 120.570 0.007 0.000 2.441 416 I HA 0.515 4.685 4.170 -0.000 0.000 0.295 416 I C -0.641 175.404 176.117 -0.120 0.000 0.994 416 I CA -0.792 60.372 61.300 -0.227 0.000 1.144 416 I CB 1.341 39.116 38.000 -0.375 0.000 1.314 416 I HN 0.267 nan 8.210 nan 0.000 0.445 417 V N 6.256 126.046 119.914 -0.207 0.000 2.419 417 V HA 0.238 4.358 4.120 -0.000 0.000 0.287 417 V C -0.156 175.931 176.094 -0.012 0.000 1.017 417 V CA -0.868 61.436 62.300 0.007 0.000 0.844 417 V CB 2.263 34.104 31.823 0.030 0.000 1.011 417 V HN 0.529 nan 8.190 nan 0.000 0.429 418 V N 7.286 127.246 119.914 0.075 0.000 2.389 418 V HA 0.429 4.549 4.120 -0.000 0.000 0.264 418 V C 0.358 176.546 176.094 0.156 0.000 1.049 418 V CA 0.453 62.823 62.300 0.116 0.000 0.932 418 V CB 0.916 32.824 31.823 0.140 0.000 1.011 418 V HN 0.827 nan 8.190 nan 0.000 0.475 419 L N 5.037 126.363 121.223 0.172 0.000 2.701 419 L HA 0.374 4.714 4.340 -0.000 0.000 0.238 419 L C 0.484 177.424 176.870 0.116 0.000 1.106 419 L CA 0.245 55.146 54.840 0.100 0.000 0.898 419 L CB 0.628 42.746 42.059 0.098 0.000 1.188 419 L HN 0.692 nan 8.230 nan 0.000 0.508 420 T N -0.467 114.249 114.554 0.270 0.000 2.933 420 T HA 0.136 4.486 4.350 -0.000 0.000 0.305 420 T C 0.176 175.027 174.700 0.250 0.000 1.092 420 T CA -0.581 61.639 62.100 0.200 0.000 1.008 420 T CB 2.115 71.139 68.868 0.261 0.000 1.102 420 T HN 0.076 nan 8.240 nan 0.000 0.469 421 E N 1.388 121.561 120.200 -0.046 0.000 2.296 421 E HA -0.008 4.341 4.350 -0.000 0.000 0.196 421 E C -0.806 175.736 176.600 -0.097 0.000 1.143 421 E CA -0.537 55.853 56.400 -0.016 0.000 1.145 421 E CB -0.227 29.418 29.700 -0.092 0.000 1.215 421 E HN 0.606 nan 8.360 nan 0.000 0.447 422 W N 1.699 122.901 121.300 -0.163 0.000 2.295 422 W HA 0.025 4.685 4.660 -0.000 0.000 0.335 422 W C 1.245 177.544 176.519 -0.367 0.000 1.351 422 W CA -0.113 56.969 57.345 -0.439 0.000 1.273 422 W CB 0.532 29.420 29.460 -0.953 0.000 1.214 422 W HN 0.123 nan 8.180 nan 0.000 0.563 423 D N 2.016 122.427 120.400 0.018 0.000 2.218 423 D HA -0.219 4.421 4.640 -0.000 0.000 0.204 423 D C 1.868 178.186 176.300 0.030 0.000 0.976 423 D CA 1.626 55.644 54.000 0.029 0.000 0.853 423 D CB 0.002 40.821 40.800 0.032 0.000 0.939 423 D HN 0.712 nan 8.370 nan 0.000 0.481 424 E N 0.442 120.613 120.200 -0.049 0.000 2.268 424 E HA -0.169 4.181 4.350 -0.000 0.000 0.195 424 E C 1.541 178.198 176.600 0.096 0.000 0.995 424 E CA 0.629 57.011 56.400 -0.030 0.000 0.836 424 E CB -0.341 29.305 29.700 -0.090 0.000 0.763 424 E HN 0.146 nan 8.360 nan 0.000 0.491 425 F N 1.984 122.027 119.950 0.154 0.000 2.234 425 F HA 0.023 4.550 4.527 -0.000 0.000 0.299 425 F C 1.165 177.137 175.800 0.286 0.000 1.087 425 F CA -0.138 57.981 58.000 0.199 0.000 1.340 425 F CB -0.762 38.420 39.000 0.304 0.000 1.031 425 F HN -0.173 nan 8.300 nan 0.000 0.500 426 V N 0.706 120.843 119.914 0.373 0.000 2.637 426 V HA 0.088 4.208 4.120 -0.000 0.000 0.296 426 V C 0.656 176.907 176.094 0.261 0.000 1.046 426 V CA -0.826 61.646 62.300 0.288 0.000 1.066 426 V CB 0.623 32.549 31.823 0.171 0.000 0.968 426 V HN 0.272 nan 8.190 nan 0.000 0.483 427 E N 1.660 122.037 120.200 0.294 0.000 2.389 427 E HA -0.216 4.134 4.350 -0.000 0.000 0.243 427 E C -0.302 176.410 176.600 0.186 0.000 1.154 427 E CA 0.445 56.984 56.400 0.231 0.000 0.723 427 E CB -1.204 28.585 29.700 0.148 0.000 1.261 427 E HN 0.638 nan 8.360 nan 0.000 0.390 428 L N -0.171 121.156 121.223 0.173 0.000 2.479 428 L HA 0.226 4.566 4.340 -0.000 0.000 0.248 428 L C 1.130 177.992 176.870 -0.014 0.000 1.205 428 L CA -0.423 54.395 54.840 -0.036 0.000 0.817 428 L CB 0.261 42.069 42.059 -0.420 0.000 1.162 428 L HN 0.109 nan 8.230 nan 0.000 0.486 429 N N -0.260 118.493 118.700 0.088 0.000 2.602 429 N HA 0.070 4.810 4.740 -0.000 0.000 0.238 429 N C 0.181 175.774 175.510 0.139 0.000 1.084 429 N CA 0.203 53.350 53.050 0.162 0.000 0.952 429 N CB 0.097 38.689 38.487 0.175 0.000 1.244 429 N HN 0.357 nan 8.380 nan 0.000 0.512 430 Y N 0.902 121.370 120.300 0.281 0.000 2.457 430 Y HA -0.022 4.528 4.550 -0.000 0.000 0.292 430 Y C 2.278 178.414 175.900 0.392 0.000 1.125 430 Y CA 0.482 58.803 58.100 0.367 0.000 1.254 430 Y CB 0.344 38.999 38.460 0.326 0.000 1.012 430 Y HN 0.438 nan 8.280 nan 0.000 0.555 431 S N -0.065 115.851 115.700 0.360 0.000 2.348 431 S HA -0.290 4.180 4.470 -0.000 0.000 0.221 431 S C 2.008 176.734 174.600 0.210 0.000 1.033 431 S CA 1.580 59.915 58.200 0.225 0.000 1.010 431 S CB -0.369 62.915 63.200 0.140 0.000 0.891 431 S HN 0.529 nan 8.310 nan 0.000 0.442 432 Q N 0.531 120.443 119.800 0.187 0.000 2.084 432 Q HA -0.098 4.242 4.340 -0.000 0.000 0.202 432 Q C 2.122 178.244 176.000 0.204 0.000 0.978 432 Q CA 1.235 57.127 55.803 0.148 0.000 0.844 432 Q CB -0.250 28.537 28.738 0.082 0.000 0.898 432 Q HN 0.526 nan 8.270 nan 0.000 0.426 433 I N 0.317 121.064 120.570 0.295 0.000 2.127 433 I HA -0.355 3.815 4.170 -0.000 0.000 0.241 433 I C 2.708 178.993 176.117 0.280 0.000 1.075 433 I CA 1.614 63.106 61.300 0.320 0.000 1.334 433 I CB -0.648 37.560 38.000 0.348 0.000 1.040 433 I HN 0.422 nan 8.210 nan 0.000 0.405 434 H N 1.241 120.414 119.070 0.171 0.000 2.352 434 H HA -0.232 4.324 4.556 -0.000 0.000 0.299 434 H C 2.059 177.423 175.328 0.060 0.000 1.097 434 H CA 2.015 57.974 56.048 -0.148 0.000 1.311 434 H CB -0.234 29.214 29.762 -0.522 0.000 1.377 434 H HN 0.387 nan 8.280 nan 0.000 0.504 435 N N 0.533 119.321 118.700 0.146 0.000 2.104 435 N HA -0.145 4.595 4.740 -0.000 0.000 0.190 435 N C 0.581 176.133 175.510 0.071 0.000 1.024 435 N CA 1.525 54.651 53.050 0.126 0.000 0.853 435 N CB -0.091 38.458 38.487 0.103 0.000 1.008 435 N HN 0.384 nan 8.380 nan 0.000 0.424 436 D N 0.070 120.486 120.400 0.027 0.000 2.340 436 D HA 0.105 4.745 4.640 -0.000 0.000 0.220 436 D C 0.506 176.740 176.300 -0.110 0.000 1.039 436 D CA 0.192 54.184 54.000 -0.013 0.000 0.866 436 D CB 0.276 41.095 40.800 0.032 0.000 0.913 436 D HN 0.380 nan 8.370 nan 0.000 0.523 437 M N 0.273 119.723 119.600 -0.250 0.000 2.283 437 M HA 0.155 4.635 4.480 -0.000 0.000 0.314 437 M C 0.507 176.403 176.300 -0.674 0.000 1.153 437 M CA -0.585 54.483 55.300 -0.385 0.000 1.084 437 M CB 0.905 33.294 32.600 -0.353 0.000 1.468 437 M HN -0.315 nan 8.290 nan 0.000 0.474 438 Q N 0.777 120.226 119.800 -0.584 0.000 2.432 438 Q HA 0.105 4.445 4.340 -0.000 0.000 0.264 438 Q C -1.385 174.176 176.000 -0.732 0.000 1.035 438 Q CA 1.084 56.505 55.803 -0.637 0.000 0.908 438 Q CB 0.422 28.622 28.738 -0.897 0.000 1.280 438 Q HN 0.425 nan 8.270 nan 0.000 0.455 439 H N 1.197 120.163 119.070 -0.173 0.000 2.600 439 H HA 0.423 4.979 4.556 -0.000 0.000 0.357 439 H C -1.853 173.484 175.328 0.014 0.000 1.106 439 H CA -1.925 54.058 56.048 -0.107 0.000 1.193 439 H CB 0.823 30.510 29.762 -0.125 0.000 1.594 439 H HN 0.597 nan 8.280 nan 0.000 0.526 440 P HA 0.255 nan 4.420 nan 0.000 0.271 440 P C -0.933 176.418 177.300 0.085 0.000 1.216 440 P CA -0.551 62.654 63.100 0.176 0.000 0.776 440 P CB 0.929 32.740 31.700 0.185 0.000 0.881 441 A N 1.820 124.697 122.820 0.094 0.000 2.276 441 A HA 0.646 4.965 4.320 -0.000 0.000 0.316 441 A C -0.037 177.710 177.584 0.272 0.000 1.229 441 A CA -0.497 51.578 52.037 0.063 0.000 0.851 441 A CB 0.683 19.593 19.000 -0.150 0.000 1.165 441 A HN 0.732 nan 8.150 nan 0.000 0.513 442 A N 2.281 125.247 122.820 0.244 0.000 2.340 442 A HA 0.786 5.106 4.320 -0.000 0.000 0.331 442 A C -0.556 177.075 177.584 0.078 0.000 1.140 442 A CA -0.494 51.647 52.037 0.172 0.000 0.801 442 A CB 0.722 19.796 19.000 0.123 0.000 1.234 442 A HN 1.271 nan 8.150 nan 0.000 0.469 443 I N 0.722 121.163 120.570 -0.214 0.000 2.582 443 I HA 0.714 4.884 4.170 -0.000 0.000 0.292 443 I C -1.927 173.919 176.117 -0.452 0.000 1.066 443 I CA -0.884 60.214 61.300 -0.337 0.000 1.053 443 I CB 1.516 39.125 38.000 -0.653 0.000 1.241 443 I HN 0.560 nan 8.210 nan 0.000 0.421 444 F N 5.498 125.427 119.950 -0.034 0.000 2.496 444 F HA 0.339 4.866 4.527 -0.000 0.000 0.341 444 F C -0.460 175.452 175.800 0.187 0.000 1.134 444 F CA -0.711 57.331 58.000 0.071 0.000 0.968 444 F CB 1.318 40.220 39.000 -0.163 0.000 1.205 444 F HN 0.321 nan 8.300 nan 0.000 0.436 445 D N 2.505 123.095 120.400 0.317 0.000 2.443 445 D HA 0.263 4.903 4.640 -0.000 0.000 0.221 445 D C 0.945 177.360 176.300 0.191 0.000 1.097 445 D CA -0.172 53.950 54.000 0.204 0.000 0.865 445 D CB 1.547 42.386 40.800 0.066 0.000 1.034 445 D HN 0.710 nan 8.370 nan 0.000 0.511 446 G N 3.242 112.071 108.800 0.049 0.000 2.985 446 G HA2 -0.066 3.894 3.960 -0.000 0.000 0.209 446 G HA3 -0.066 3.894 3.960 -0.000 0.000 0.209 446 G C 1.127 175.903 174.900 -0.207 0.000 1.165 446 G CA -0.081 44.776 45.100 -0.404 0.000 0.776 446 G HN 0.317 nan 8.290 nan 0.000 0.541 447 R N -0.738 119.729 120.500 -0.055 0.000 2.531 447 R HA 0.208 4.548 4.340 -0.000 0.000 0.316 447 R C 0.307 176.602 176.300 -0.008 0.000 0.955 447 R CA -0.571 55.512 56.100 -0.029 0.000 1.120 447 R CB 0.133 30.445 30.300 0.021 0.000 1.361 447 R HN 0.191 nan 8.270 nan 0.000 0.534 448 L N 1.437 122.662 121.223 0.003 0.000 3.678 448 L HA -0.208 4.132 4.340 -0.000 0.000 0.425 448 L C 0.956 177.832 176.870 0.010 0.000 1.240 448 L CA 0.925 55.768 54.840 0.005 0.000 0.876 448 L CB -1.918 40.139 42.059 -0.004 0.000 1.766 448 L HN 0.340 nan 8.230 nan 0.000 0.917 449 I N -4.697 115.893 120.570 0.033 0.000 4.070 449 I HA 0.264 4.434 4.170 -0.000 0.000 0.328 449 I C 0.955 177.096 176.117 0.041 0.000 1.298 449 I CA -0.195 61.134 61.300 0.047 0.000 1.173 449 I CB 0.200 38.254 38.000 0.091 0.000 1.051 449 I HN 0.072 nan 8.210 nan 0.000 0.409 450 L N 1.279 122.506 121.223 0.007 0.000 2.387 450 L HA 0.436 4.776 4.340 -0.000 0.000 0.266 450 L C -0.358 176.471 176.870 -0.067 0.000 1.059 450 L CA -0.613 54.196 54.840 -0.051 0.000 0.801 450 L CB 0.708 42.671 42.059 -0.160 0.000 1.223 450 L HN -0.004 nan 8.230 nan 0.000 0.456 451 D N 0.672 121.020 120.400 -0.086 0.000 2.380 451 D HA 0.063 4.702 4.640 -0.000 0.000 0.230 451 D C 0.631 176.871 176.300 -0.101 0.000 1.154 451 D CA -0.194 53.765 54.000 -0.068 0.000 0.859 451 D CB 1.303 42.081 40.800 -0.037 0.000 1.045 451 D HN 0.376 nan 8.370 nan 0.000 0.495 452 Q N 3.372 123.118 119.800 -0.091 0.000 2.046 452 Q HA -0.158 4.182 4.340 -0.000 0.000 0.200 452 Q C 1.642 177.585 176.000 -0.095 0.000 0.975 452 Q CA 1.107 56.844 55.803 -0.110 0.000 0.836 452 Q CB -0.154 28.527 28.738 -0.094 0.000 0.896 452 Q HN 0.571 nan 8.270 nan 0.000 0.428 453 K N 0.474 120.834 120.400 -0.067 0.000 2.009 453 K HA -0.142 4.178 4.320 -0.000 0.000 0.210 453 K C 2.053 178.630 176.600 -0.039 0.000 1.049 453 K CA 1.380 57.637 56.287 -0.051 0.000 0.929 453 K CB -0.162 32.317 32.500 -0.036 0.000 0.714 453 K HN 0.132 nan 8.250 nan 0.000 0.440 454 A N 1.288 124.089 122.820 -0.031 0.000 1.892 454 A HA -0.183 4.137 4.320 -0.000 0.000 0.218 454 A C 2.162 179.750 177.584 0.006 0.000 1.188 454 A CA 1.705 53.737 52.037 -0.008 0.000 0.631 454 A CB -0.755 18.246 19.000 0.001 0.000 0.822 454 A HN 0.364 nan 8.150 nan 0.000 0.447 455 L N -1.736 119.469 121.223 -0.031 0.000 2.093 455 L HA -0.147 4.193 4.340 -0.000 0.000 0.208 455 L C 2.776 179.699 176.870 0.089 0.000 1.085 455 L CA 1.610 56.468 54.840 0.029 0.000 0.755 455 L CB -0.392 41.553 42.059 -0.190 0.000 0.904 455 L HN 0.366 nan 8.230 nan 0.000 0.435 456 R N 0.432 120.923 120.500 -0.014 0.000 2.081 456 R HA -0.181 4.159 4.340 -0.000 0.000 0.235 456 R C 2.148 178.422 176.300 -0.042 0.000 1.131 456 R CA 1.452 57.530 56.100 -0.038 0.000 0.960 456 R CB -0.067 30.189 30.300 -0.073 0.000 0.856 456 R HN 0.332 nan 8.270 nan 0.000 0.436 457 E N -0.206 119.973 120.200 -0.035 0.000 2.077 457 E HA -0.169 4.181 4.350 -0.000 0.000 0.193 457 E C 1.880 178.434 176.600 -0.077 0.000 0.989 457 E CA 1.465 57.838 56.400 -0.044 0.000 0.800 457 E CB -0.090 29.595 29.700 -0.025 0.000 0.746 457 E HN 0.376 nan 8.360 nan 0.000 0.452 458 I N -0.422 120.106 120.570 -0.070 0.000 2.335 458 I HA -0.187 3.983 4.170 -0.000 0.000 0.251 458 I C 1.674 177.490 176.117 -0.501 0.000 1.129 458 I CA 1.218 62.404 61.300 -0.191 0.000 1.402 458 I CB -0.161 37.809 38.000 -0.050 0.000 1.069 458 I HN 0.370 nan 8.210 nan 0.000 0.424 459 G N -0.133 108.445 108.800 -0.370 0.000 2.175 459 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.182 459 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.182 459 G C 0.202 174.966 174.900 -0.227 0.000 1.003 459 G CA -0.732 44.152 45.100 -0.361 0.000 0.666 459 G HN 0.167 nan 8.290 nan 0.000 0.506 460 F N 1.879 121.749 119.950 -0.135 0.000 2.602 460 F HA 0.291 4.818 4.527 -0.000 0.000 0.367 460 F C 1.669 177.431 175.800 -0.063 0.000 1.126 460 F CA 0.092 58.111 58.000 0.031 0.000 1.321 460 F CB 0.514 39.501 39.000 -0.022 0.000 1.094 460 F HN -0.054 nan 8.300 nan 0.000 0.594 461 R N 2.003 122.611 120.500 0.179 0.000 2.291 461 R HA 0.142 4.482 4.340 -0.000 0.000 0.333 461 R C -0.100 176.065 176.300 -0.224 0.000 1.082 461 R CA -0.121 55.962 56.100 -0.029 0.000 0.948 461 R CB 0.541 30.904 30.300 0.104 0.000 1.009 461 R HN 0.512 nan 8.270 nan 0.000 0.460 462 T N 3.350 117.583 114.554 -0.535 0.000 2.855 462 T HA 0.643 4.993 4.350 -0.000 0.000 0.281 462 T C -1.093 173.052 174.700 -0.926 0.000 1.007 462 T CA -0.464 61.308 62.100 -0.547 0.000 1.009 462 T CB 0.514 69.186 68.868 -0.326 0.000 0.983 462 T HN 0.334 nan 8.240 nan 0.000 0.455 463 F N 1.881 121.636 119.950 -0.325 0.000 2.578 463 F HA 0.764 5.291 4.527 -0.000 0.000 0.311 463 F C 0.111 175.889 175.800 -0.037 0.000 1.094 463 F CA -0.960 56.939 58.000 -0.168 0.000 0.923 463 F CB 2.239 41.129 39.000 -0.183 0.000 1.230 463 F HN 0.747 nan 8.300 nan 0.000 0.450 464 A N 2.486 125.418 122.820 0.186 0.000 2.475 464 A HA 0.773 5.093 4.320 -0.000 0.000 0.301 464 A C -0.868 176.825 177.584 0.181 0.000 1.059 464 A CA -0.770 51.367 52.037 0.168 0.000 0.710 464 A CB 1.096 20.133 19.000 0.062 0.000 1.288 464 A HN 0.755 nan 8.150 nan 0.000 0.408 465 I N 1.622 122.290 120.570 0.163 0.000 2.683 465 I HA 0.279 4.449 4.170 -0.000 0.000 0.286 465 I C 1.489 177.646 176.117 0.067 0.000 1.175 465 I CA 1.930 63.292 61.300 0.103 0.000 1.429 465 I CB 0.565 38.567 38.000 0.004 0.000 1.371 465 I HN 1.222 nan 8.210 nan 0.000 0.569 466 G N 3.797 112.639 108.800 0.070 0.000 2.176 466 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.253 466 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.253 466 G C 0.213 175.145 174.900 0.053 0.000 0.979 466 G CA -0.012 45.123 45.100 0.058 0.000 0.641 466 G HN 0.585 nan 8.290 nan 0.000 0.530 467 T N 0.552 115.143 114.554 0.062 0.000 2.848 467 T HA 0.595 4.945 4.350 -0.000 0.000 0.285 467 T C 0.166 174.902 174.700 0.060 0.000 0.995 467 T CA 0.365 62.492 62.100 0.046 0.000 0.970 467 T CB 1.801 70.683 68.868 0.023 0.000 0.976 467 T HN 0.744 nan 8.240 nan 0.000 0.441 468 S N 3.420 119.147 115.700 0.046 0.000 2.516 468 S HA 0.148 4.618 4.470 -0.000 0.000 0.282 468 S C -1.381 173.240 174.600 0.035 0.000 1.286 468 S CA -1.133 57.099 58.200 0.053 0.000 1.066 468 S CB 0.429 63.652 63.200 0.039 0.000 0.884 468 S HN 0.372 nan 8.310 nan 0.000 0.491 469 P HA -0.041 nan 4.420 nan 0.000 0.215 469 P C -0.295 176.969 177.300 -0.059 0.000 1.157 469 P CA 1.024 64.129 63.100 0.008 0.000 0.863 469 P CB -0.060 31.776 31.700 0.227 0.000 0.787 470 D N 0.077 120.479 120.400 0.002 0.000 2.479 470 D HA 0.129 4.769 4.640 -0.000 0.000 0.218 470 D C 0.066 176.360 176.300 -0.009 0.000 1.131 470 D CA -0.345 53.649 54.000 -0.010 0.000 0.916 470 D CB 0.884 41.695 40.800 0.018 0.000 1.022 470 D HN 0.048 nan 8.370 nan 0.000 0.515 471 Q N 0.000 119.784 119.800 -0.027 0.000 2.315 471 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 471 Q CA 0.000 55.791 55.803 -0.020 0.000 1.022 471 Q CB 0.000 28.719 28.738 -0.031 0.000 1.108 471 Q HN 0.000 nan 8.270 nan 0.000 0.481