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 2dc6_1_A DATA FIRST_RESID 1 DATA SEQUENCE LPESFDAREQ WPNcPTIKEI RDQGScGSCW AFGAVEAISD RIcIHSNXXV DATA SEQUENCE NVEVSAEDML TccGGEcGDG cNGGFPSGAW NFWTKKGLVS GGLYNSHVGc DATA SEQUENCE RPYSIPPcEH HVNGSRPPcT GEGDTPKcSK TcEPGYSPSY KEDKHFGcSS DATA SEQUENCE YSVANNEKEI MAEIYKNGPV EGAFSVYSDF LLYKSGVYQH VSGEIMGGHA DATA SEQUENCE IRILGWGVEN GTPYWLVGNS WNTDWGDNGF FKILRGQDHC GIESEIVAGM DATA SEQUENCE PcT 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 1 L HA 0.000 nan 4.340 nan 0.000 0.249 1 L C 0.000 176.852 176.870 -0.030 0.000 1.165 1 L CA 0.000 54.699 54.840 -0.235 0.000 0.813 1 L CB 0.000 41.920 42.059 -0.232 0.000 0.961 2 P HA 0.241 nan 4.420 nan 0.000 0.274 2 P C 0.332 177.804 177.300 0.287 0.000 1.237 2 P CA -0.382 62.823 63.100 0.174 0.000 0.793 2 P CB 1.206 33.033 31.700 0.213 0.000 0.977 3 E N 0.211 120.517 120.200 0.177 0.000 2.204 3 E HA -0.036 4.314 4.350 0.001 0.000 0.194 3 E C -0.118 176.630 176.600 0.247 0.000 0.989 3 E CA 0.648 57.154 56.400 0.177 0.000 0.824 3 E CB 0.217 29.957 29.700 0.066 0.000 0.756 3 E HN 0.437 nan 8.360 nan 0.000 0.477 4 S N -1.322 114.434 115.700 0.093 0.000 2.632 4 S HA 0.627 5.097 4.470 0.001 0.000 0.289 4 S C -1.322 173.041 174.600 -0.395 0.000 1.115 4 S CA -0.686 57.398 58.200 -0.192 0.000 0.889 4 S CB 1.884 65.008 63.200 -0.126 0.000 1.116 4 S HN 0.254 nan 8.310 nan 0.000 0.486 5 F N 1.755 121.161 119.950 -0.907 0.000 2.683 5 F HA 0.329 4.856 4.527 0.000 0.000 0.333 5 F C -2.199 173.267 175.800 -0.556 0.000 1.160 5 F CA -0.433 57.059 58.000 -0.846 0.000 1.099 5 F CB 1.251 39.341 39.000 -1.517 0.000 1.344 5 F HN 0.524 nan 8.300 nan 0.000 0.534 6 D N 4.757 124.671 120.400 -0.809 0.000 2.469 6 D HA 0.481 5.121 4.640 0.001 0.000 0.251 6 D C 0.671 176.622 176.300 -0.581 0.000 1.173 6 D CA 0.303 54.020 54.000 -0.471 0.000 0.882 6 D CB 2.069 42.681 40.800 -0.313 0.000 1.129 6 D HN 0.724 nan 8.370 nan 0.000 0.549 7 A N 4.571 127.249 122.820 -0.237 0.000 1.986 7 A HA -0.219 4.101 4.320 0.001 0.000 0.220 7 A C 2.025 179.660 177.584 0.085 0.000 1.171 7 A CA 1.260 53.355 52.037 0.095 0.000 0.640 7 A CB -0.183 19.098 19.000 0.470 0.000 0.811 7 A HN 0.639 nan 8.150 nan 0.000 0.451 8 R N -0.480 120.012 120.500 -0.013 0.000 2.096 8 R HA -0.135 4.205 4.340 0.001 0.000 0.235 8 R C 1.954 178.214 176.300 -0.066 0.000 1.127 8 R CA 1.695 57.790 56.100 -0.008 0.000 0.968 8 R CB -0.244 30.024 30.300 -0.053 0.000 0.861 8 R HN 0.711 nan 8.270 nan 0.000 0.440 9 E N -0.118 119.972 120.200 -0.183 0.000 2.250 9 E HA -0.074 4.276 4.350 0.001 0.000 0.192 9 E C 1.989 178.421 176.600 -0.280 0.000 0.986 9 E CA 0.314 56.589 56.400 -0.208 0.000 0.849 9 E CB 0.217 29.773 29.700 -0.240 0.000 0.797 9 E HN 0.275 nan 8.360 nan 0.000 0.482 10 Q N -0.453 119.078 119.800 -0.447 0.000 2.172 10 Q HA -0.081 4.259 4.340 0.001 0.000 0.200 10 Q C 0.352 175.996 176.000 -0.593 0.000 0.964 10 Q CA 0.767 56.168 55.803 -0.670 0.000 0.855 10 Q CB 0.316 28.354 28.738 -1.166 0.000 0.918 10 Q HN 0.362 nan 8.270 nan 0.000 0.444 11 W N 1.141 122.365 121.300 -0.126 0.000 2.148 11 W HA 0.277 4.937 4.660 0.001 0.000 0.288 11 W C -2.040 174.441 176.519 -0.062 0.000 0.920 11 W CA -2.037 55.263 57.345 -0.075 0.000 1.904 11 W CB 0.912 30.343 29.460 -0.050 0.000 2.083 11 W HN 0.069 nan 8.180 nan 0.000 0.398 12 P HA -0.151 nan 4.420 nan 0.000 0.221 12 P C 0.713 178.051 177.300 0.062 0.000 1.145 12 P CA 1.684 64.811 63.100 0.046 0.000 0.795 12 P CB 0.371 32.072 31.700 0.002 0.000 0.775 13 N N -1.961 116.792 118.700 0.089 0.000 2.314 13 N HA 0.053 4.793 4.740 0.001 0.000 0.200 13 N C -0.624 174.920 175.510 0.056 0.000 1.135 13 N CA 0.152 53.241 53.050 0.066 0.000 0.835 13 N CB -0.151 38.375 38.487 0.064 0.000 0.989 13 N HN 0.077 nan 8.380 nan 0.000 0.478 14 c N 1.439 120.080 118.600 0.069 0.000 3.169 14 c HA 0.267 4.838 4.570 0.001 0.000 0.232 14 c C -1.234 172.879 174.090 0.038 0.000 1.316 14 c CA -1.369 54.980 56.329 0.033 0.000 1.545 14 c CB 0.554 43.067 42.510 0.004 0.000 1.785 14 c HN 0.306 nan 8.230 nan 0.000 0.454 15 P HA -0.174 nan 4.420 nan 0.000 0.220 15 P C 1.522 178.843 177.300 0.035 0.000 1.144 15 P CA 1.836 64.958 63.100 0.037 0.000 0.800 15 P CB -0.126 31.591 31.700 0.029 0.000 0.772 16 T N -2.199 112.360 114.554 0.009 0.000 2.833 16 T HA -0.111 4.239 4.350 0.001 0.000 0.269 16 T C 1.956 176.671 174.700 0.025 0.000 1.054 16 T CA 0.741 62.837 62.100 -0.006 0.000 1.135 16 T CB -1.319 67.516 68.868 -0.055 0.000 0.869 16 T HN 0.074 nan 8.240 nan 0.000 0.466 17 I N 1.952 122.549 120.570 0.045 0.000 2.423 17 I HA -0.152 4.018 4.170 0.001 0.000 0.254 17 I C 2.479 178.695 176.117 0.164 0.000 1.151 17 I CA 1.525 62.881 61.300 0.093 0.000 1.421 17 I CB -0.316 37.750 38.000 0.110 0.000 1.079 17 I HN 0.497 nan 8.210 nan 0.000 0.431 18 K N 1.425 121.919 120.400 0.157 0.000 2.358 18 K HA 0.141 4.461 4.320 0.001 0.000 0.197 18 K C 0.346 177.119 176.600 0.289 0.000 1.025 18 K CA -0.202 56.237 56.287 0.252 0.000 1.104 18 K CB 0.043 32.629 32.500 0.144 0.000 0.855 18 K HN 0.338 nan 8.250 nan 0.000 0.531 19 E N 1.496 121.786 120.200 0.151 0.000 2.277 19 E HA 0.256 4.607 4.350 0.001 0.000 0.274 19 E C -0.609 175.985 176.600 -0.010 0.000 1.022 19 E CA -0.876 55.573 56.400 0.081 0.000 0.853 19 E CB 1.044 30.769 29.700 0.042 0.000 1.086 19 E HN -0.065 nan 8.360 nan 0.000 0.397 20 I N 2.527 123.066 120.570 -0.052 0.000 2.404 20 I HA 0.328 4.499 4.170 0.001 0.000 0.293 20 I C 0.588 176.680 176.117 -0.042 0.000 0.992 20 I CA -0.698 60.521 61.300 -0.135 0.000 1.149 20 I CB 1.430 39.310 38.000 -0.199 0.000 1.315 20 I HN 0.654 nan 8.210 nan 0.000 0.446 21 R N 2.901 123.382 120.500 -0.032 0.000 2.705 21 R HA 0.501 4.842 4.340 0.001 0.000 0.246 21 R C -0.881 175.390 176.300 -0.048 0.000 1.142 21 R CA -0.870 55.248 56.100 0.031 0.000 1.114 21 R CB 1.062 31.471 30.300 0.182 0.000 1.256 21 R HN 0.427 nan 8.270 nan 0.000 0.536 22 D N 0.675 121.031 120.400 -0.074 0.000 2.575 22 D HA 0.018 4.658 4.640 0.001 0.000 0.250 22 D C 0.306 176.372 176.300 -0.389 0.000 1.279 22 D CA -0.335 53.580 54.000 -0.142 0.000 0.925 22 D CB 1.466 42.303 40.800 0.061 0.000 1.261 22 D HN 0.581 nan 8.370 nan 0.000 0.567 23 Q N 2.778 122.109 119.800 -0.782 0.000 2.437 23 Q HA 0.145 4.485 4.340 0.001 0.000 0.210 23 Q C 1.047 177.001 176.000 -0.076 0.000 0.972 23 Q CA 0.677 55.872 55.803 -1.013 0.000 0.903 23 Q CB -0.043 28.137 28.738 -0.929 0.000 0.967 23 Q HN 0.559 nan 8.270 nan 0.000 0.486 24 G N 0.995 109.832 108.800 0.062 0.000 2.598 24 G HA2 -0.280 3.681 3.960 0.001 0.000 0.244 24 G HA3 -0.280 3.681 3.960 0.001 0.000 0.244 24 G C -0.411 174.467 174.900 -0.036 0.000 1.302 24 G CA -0.100 45.025 45.100 0.043 0.000 0.903 24 G HN 0.333 nan 8.290 nan 0.000 0.575 25 S N 0.042 115.672 115.700 -0.116 0.000 4.120 25 S HA 0.461 4.931 4.470 0.001 0.000 0.196 25 S C 0.005 174.562 174.600 -0.072 0.000 1.447 25 S CA 0.499 58.615 58.200 -0.139 0.000 0.939 25 S CB -0.436 62.661 63.200 -0.172 0.000 1.496 25 S HN 1.536 nan 8.310 nan 0.000 0.460 26 c N 0.779 119.366 118.600 -0.021 0.000 2.931 26 c HA 0.657 5.227 4.570 0.001 0.000 0.370 26 c C 0.847 174.967 174.090 0.050 0.000 1.071 26 c CA -0.700 55.643 56.329 0.024 0.000 1.266 26 c CB 0.441 42.993 42.510 0.070 0.000 1.691 26 c HN 0.638 nan 8.230 nan 0.000 0.511 27 G N 3.890 112.733 108.800 0.071 0.000 3.284 27 G HA2 0.298 4.259 3.960 0.001 0.000 0.251 27 G HA3 0.298 4.259 3.960 0.001 0.000 0.251 27 G C 0.801 175.813 174.900 0.187 0.000 0.913 27 G CA 0.507 45.674 45.100 0.113 0.000 1.947 27 G HN 1.405 nan 8.290 nan 0.000 0.635 28 S N -1.050 114.705 115.700 0.092 0.000 2.583 28 S HA -0.021 4.449 4.470 0.001 0.000 0.239 28 S C 2.100 176.585 174.600 -0.191 0.000 0.966 28 S CA 0.094 58.245 58.200 -0.083 0.000 0.973 28 S CB -0.834 62.387 63.200 0.036 0.000 0.794 28 S HN 0.728 nan 8.310 nan 0.000 0.463 29 C N 1.059 120.352 119.300 -0.012 0.000 2.413 29 C HA -0.073 4.387 4.460 0.001 0.000 0.277 29 C C 2.709 177.664 174.990 -0.059 0.000 1.265 29 C CA 0.585 59.586 59.018 -0.028 0.000 1.752 29 C CB -2.020 25.733 27.740 0.020 0.000 1.998 29 C HN 0.886 nan 8.230 nan 0.000 0.489 30 W N 2.576 123.874 121.300 -0.004 0.000 2.342 30 W HA -0.048 4.611 4.660 -0.001 0.000 0.297 30 W C 2.208 178.719 176.519 -0.013 0.000 1.213 30 W CA 1.578 58.912 57.345 -0.017 0.000 1.251 30 W CB -1.548 27.882 29.460 -0.051 0.000 1.136 30 W HN 0.491 nan 8.180 nan 0.000 0.526 31 A N 0.517 122.711 122.820 -1.043 0.000 1.897 31 A HA -0.021 4.300 4.320 0.001 0.000 0.215 31 A C 1.881 179.111 177.584 -0.589 0.000 1.181 31 A CA 1.204 52.615 52.037 -1.043 0.000 0.620 31 A CB -1.285 16.809 19.000 -1.509 0.000 0.821 31 A HN 0.183 nan 8.150 nan 0.000 0.443 32 F N 0.480 120.118 119.950 -0.520 0.000 2.146 32 F HA 0.015 4.543 4.527 0.002 0.000 0.298 32 F C 2.655 178.276 175.800 -0.298 0.000 1.096 32 F CA 1.195 58.958 58.000 -0.394 0.000 1.275 32 F CB -0.853 37.934 39.000 -0.355 0.000 1.008 32 F HN 0.276 nan 8.300 nan 0.000 0.480 33 G N -0.609 108.154 108.800 -0.062 0.000 2.442 33 G HA2 -0.198 3.762 3.960 0.001 0.000 0.219 33 G HA3 -0.198 3.762 3.960 0.001 0.000 0.219 33 G C 1.848 176.711 174.900 -0.061 0.000 1.141 33 G CA 0.907 45.981 45.100 -0.044 0.000 0.763 33 G HN 0.468 nan 8.290 nan 0.000 0.554 34 A N 0.631 123.361 122.820 -0.151 0.000 1.840 34 A HA 0.078 4.398 4.320 0.001 0.000 0.214 34 A C 2.718 179.899 177.584 -0.672 0.000 1.198 34 A CA 2.544 54.339 52.037 -0.403 0.000 0.608 34 A CB -0.976 17.760 19.000 -0.439 0.000 0.839 34 A HN 0.878 nan 8.150 nan 0.000 0.443 35 V N -1.613 117.941 119.914 -0.601 0.000 2.490 35 V HA -0.229 3.891 4.120 0.001 0.000 0.250 35 V C 1.870 177.664 176.094 -0.500 0.000 1.061 35 V CA 2.389 64.316 62.300 -0.622 0.000 1.064 35 V CB -1.128 30.331 31.823 -0.605 0.000 0.670 35 V HN 0.605 nan 8.190 nan 0.000 0.461 36 E N 1.531 121.505 120.200 -0.376 0.000 2.031 36 E HA -0.076 4.274 4.350 0.001 0.000 0.193 36 E C 2.438 178.912 176.600 -0.209 0.000 0.994 36 E CA 1.507 57.760 56.400 -0.245 0.000 0.800 36 E CB -0.492 29.120 29.700 -0.146 0.000 0.752 36 E HN 0.689 nan 8.360 nan 0.000 0.447 37 A N 1.063 123.780 122.820 -0.172 0.000 1.898 37 A HA -0.158 4.162 4.320 0.001 0.000 0.216 37 A C 2.204 179.666 177.584 -0.204 0.000 1.181 37 A CA 1.067 53.069 52.037 -0.058 0.000 0.620 37 A CB -0.626 18.497 19.000 0.205 0.000 0.819 37 A HN 0.147 nan 8.150 nan 0.000 0.442 38 I N -0.207 120.012 120.570 -0.585 0.000 2.286 38 I HA -0.242 3.928 4.170 0.001 0.000 0.248 38 I C 2.680 178.480 176.117 -0.528 0.000 1.115 38 I CA 1.388 62.148 61.300 -0.901 0.000 1.392 38 I CB -0.234 36.839 38.000 -1.545 0.000 1.065 38 I HN 0.232 nan 8.210 nan 0.000 0.418 39 S N 0.455 115.904 115.700 -0.418 0.000 2.356 39 S HA -0.196 4.274 4.470 0.001 0.000 0.223 39 S C 1.607 176.094 174.600 -0.189 0.000 1.032 39 S CA 1.524 59.553 58.200 -0.285 0.000 1.005 39 S CB -0.335 62.714 63.200 -0.251 0.000 0.867 39 S HN 0.438 nan 8.310 nan 0.000 0.449 40 D N 1.175 121.479 120.400 -0.160 0.000 2.104 40 D HA -0.095 4.545 4.640 0.001 0.000 0.194 40 D C 2.143 178.357 176.300 -0.143 0.000 0.994 40 D CA 1.082 55.005 54.000 -0.128 0.000 0.830 40 D CB -0.292 40.453 40.800 -0.092 0.000 0.959 40 D HN 0.331 nan 8.370 nan 0.000 0.452 41 R N 0.119 120.571 120.500 -0.079 0.000 2.092 41 R HA 0.005 4.345 4.340 0.001 0.000 0.231 41 R C 2.593 178.972 176.300 0.132 0.000 1.119 41 R CA 0.509 56.649 56.100 0.066 0.000 0.970 41 R CB -0.287 30.117 30.300 0.173 0.000 0.864 41 R HN 0.260 nan 8.270 nan 0.000 0.440 42 I N 0.089 120.691 120.570 0.054 0.000 2.286 42 I HA -0.365 3.805 4.170 0.001 0.000 0.248 42 I C 2.774 178.916 176.117 0.043 0.000 1.115 42 I CA 0.973 62.333 61.300 0.100 0.000 1.392 42 I CB -0.308 37.705 38.000 0.022 0.000 1.065 42 I HN 0.312 nan 8.210 nan 0.000 0.418 43 c N 0.993 119.571 118.600 -0.037 0.000 2.476 43 c HA -0.103 4.468 4.570 0.001 0.000 0.278 43 c C 2.764 176.785 174.090 -0.116 0.000 1.274 43 c CA 0.378 56.670 56.329 -0.062 0.000 1.713 43 c CB -0.697 41.763 42.510 -0.083 0.000 2.039 43 c HN 0.381 nan 8.230 nan 0.000 0.484 44 I N 0.515 120.933 120.570 -0.253 0.000 2.127 44 I HA -0.118 4.052 4.170 0.001 0.000 0.241 44 I C 0.976 176.845 176.117 -0.413 0.000 1.075 44 I CA 1.788 62.770 61.300 -0.530 0.000 1.334 44 I CB -1.914 35.508 38.000 -0.962 0.000 1.040 44 I HN 0.471 nan 8.210 nan 0.000 0.405 45 H N 0.067 119.108 119.070 -0.049 0.000 2.483 45 H HA 0.306 4.862 4.556 0.001 0.000 0.224 45 H C 0.813 176.173 175.328 0.053 0.000 1.690 45 H CA 0.385 56.451 56.048 0.030 0.000 1.217 45 H CB 0.113 29.915 29.762 0.066 0.000 1.619 45 H HN 0.260 nan 8.280 nan 0.000 0.528 46 S N -1.256 114.506 115.700 0.104 0.000 2.423 46 S HA 0.039 4.509 4.470 0.001 0.000 0.243 46 S C 0.219 174.857 174.600 0.065 0.000 0.939 46 S CA -0.618 57.640 58.200 0.097 0.000 1.552 46 S CB -0.162 63.100 63.200 0.103 0.000 1.245 46 S HN 0.223 nan 8.310 nan 0.000 0.635 51 N N 1.593 120.294 118.700 0.001 0.000 2.434 51 N HA 0.778 5.518 4.740 0.001 0.000 0.272 51 N C -0.836 174.646 175.510 -0.048 0.000 1.040 51 N CA -0.061 52.974 53.050 -0.024 0.000 0.956 51 N CB 1.809 40.290 38.487 -0.011 0.000 1.108 51 N HN 1.050 nan 8.380 nan 0.000 0.481 52 V N 2.294 122.146 119.914 -0.104 0.000 2.777 52 V HA 0.325 4.445 4.120 0.001 0.000 0.306 52 V C -1.347 174.637 176.094 -0.183 0.000 1.112 52 V CA -0.719 61.484 62.300 -0.162 0.000 0.917 52 V CB 1.898 33.522 31.823 -0.331 0.000 1.018 52 V HN 0.543 nan 8.190 nan 0.000 0.426 53 E N 4.872 124.979 120.200 -0.155 0.000 1.996 53 E HA 0.264 4.614 4.350 0.001 0.000 0.280 53 E C -0.295 176.173 176.600 -0.220 0.000 1.092 53 E CA -0.035 56.264 56.400 -0.168 0.000 0.862 53 E CB 1.423 31.050 29.700 -0.123 0.000 1.066 53 E HN 0.602 nan 8.360 nan 0.000 0.396 54 V N 2.833 122.580 119.914 -0.279 0.000 2.585 54 V HA -0.069 4.052 4.120 0.001 0.000 0.296 54 V C 1.043 176.955 176.094 -0.302 0.000 1.035 54 V CA 0.059 62.172 62.300 -0.310 0.000 1.084 54 V CB 1.092 32.673 31.823 -0.403 0.000 0.953 54 V HN 0.539 nan 8.190 nan 0.000 0.483 55 S N 4.458 120.014 115.700 -0.240 0.000 2.481 55 S HA 0.270 4.741 4.470 0.001 0.000 0.282 55 S C 1.284 175.707 174.600 -0.295 0.000 1.243 55 S CA -0.121 57.948 58.200 -0.218 0.000 1.078 55 S CB 0.813 63.940 63.200 -0.122 0.000 0.916 55 S HN 0.972 nan 8.310 nan 0.000 0.495 56 A N 4.487 127.050 122.820 -0.428 0.000 1.968 56 A HA 0.010 4.331 4.320 0.001 0.000 0.217 56 A C 1.951 179.355 177.584 -0.299 0.000 1.169 56 A CA 1.517 53.160 52.037 -0.657 0.000 0.638 56 A CB -0.690 17.466 19.000 -1.407 0.000 0.812 56 A HN 0.876 nan 8.150 nan 0.000 0.446 57 E N 0.420 120.588 120.200 -0.053 0.000 2.051 57 E HA -0.222 4.128 4.350 0.001 0.000 0.192 57 E C 1.627 178.225 176.600 -0.005 0.000 0.991 57 E CA 1.625 58.059 56.400 0.058 0.000 0.799 57 E CB -0.249 29.497 29.700 0.075 0.000 0.748 57 E HN 0.506 nan 8.360 nan 0.000 0.449 58 D N -0.898 119.499 120.400 -0.005 0.000 2.117 58 D HA -0.178 4.462 4.640 0.001 0.000 0.197 58 D C 1.870 178.169 176.300 -0.003 0.000 0.987 58 D CA 1.404 55.449 54.000 0.076 0.000 0.829 58 D CB -0.147 40.728 40.800 0.125 0.000 0.961 58 D HN 0.226 nan 8.370 nan 0.000 0.460 59 M N -0.044 119.486 119.600 -0.116 0.000 2.077 59 M HA -0.047 4.434 4.480 0.001 0.000 0.261 59 M C 2.014 178.159 176.300 -0.258 0.000 1.070 59 M CA 1.285 56.433 55.300 -0.253 0.000 1.125 59 M CB -0.624 31.784 32.600 -0.319 0.000 1.339 59 M HN 0.138 nan 8.290 nan 0.000 0.409 60 L N -0.536 120.529 121.223 -0.263 0.000 2.012 60 L HA -0.223 4.117 4.340 0.001 0.000 0.210 60 L C 2.128 179.025 176.870 0.046 0.000 1.073 60 L CA 2.408 57.164 54.840 -0.141 0.000 0.748 60 L CB -0.773 41.243 42.059 -0.072 0.000 0.891 60 L HN 0.658 nan 8.230 nan 0.000 0.431 61 T N -5.241 109.310 114.554 -0.005 0.000 3.031 61 T HA -0.072 4.279 4.350 0.001 0.000 0.254 61 T C 1.691 176.386 174.700 -0.008 0.000 1.060 61 T CA 0.674 62.781 62.100 0.010 0.000 1.135 61 T CB -0.551 68.321 68.868 0.007 0.000 0.896 61 T HN 0.421 nan 8.240 nan 0.000 0.472 62 c N 0.502 119.070 118.600 -0.052 0.000 2.865 62 c HA 0.379 4.950 4.570 0.001 0.000 0.280 62 c C 2.960 176.943 174.090 -0.178 0.000 1.255 62 c CA -0.607 55.714 56.329 -0.014 0.000 1.705 62 c CB -1.410 41.223 42.510 0.206 0.000 2.080 62 c HN 0.795 nan 8.230 nan 0.000 0.591 63 c N 1.119 119.336 118.600 -0.639 0.000 2.425 63 c HA 0.331 4.902 4.570 0.001 0.000 0.277 63 c C 1.861 175.876 174.090 -0.124 0.000 1.280 63 c CA 1.613 57.488 56.329 -0.757 0.000 1.744 63 c CB -1.618 40.447 42.510 -0.741 0.000 1.989 63 c HN 0.799 nan 8.230 nan 0.000 0.491 64 G N -0.581 108.176 108.800 -0.071 0.000 2.598 64 G HA2 -0.056 3.904 3.960 0.001 0.000 0.244 64 G HA3 -0.056 3.904 3.960 0.001 0.000 0.244 64 G C 0.861 175.747 174.900 -0.023 0.000 1.302 64 G CA 0.087 45.181 45.100 -0.011 0.000 0.903 64 G HN 1.217 nan 8.290 nan 0.000 0.575 65 G N -0.592 108.212 108.800 0.008 0.000 2.507 65 G HA2 -0.178 3.782 3.960 0.001 0.000 0.221 65 G HA3 -0.178 3.782 3.960 0.001 0.000 0.221 65 G C 1.424 176.349 174.900 0.043 0.000 1.119 65 G CA 1.732 46.842 45.100 0.017 0.000 0.751 65 G HN 0.867 nan 8.290 nan 0.000 0.574 66 E N -0.252 119.983 120.200 0.058 0.000 2.209 66 E HA -0.109 4.242 4.350 0.001 0.000 0.196 66 E C 1.814 178.474 176.600 0.101 0.000 0.993 66 E CA 0.851 57.305 56.400 0.089 0.000 0.819 66 E CB -0.219 29.564 29.700 0.137 0.000 0.745 66 E HN 0.449 nan 8.360 nan 0.000 0.477 67 c N -0.952 117.640 118.600 -0.014 0.000 3.070 67 c HA 0.479 5.050 4.570 0.001 0.000 0.280 67 c C 1.252 175.012 174.090 -0.551 0.000 1.264 67 c CA 0.169 56.370 56.329 -0.213 0.000 1.690 67 c CB -0.147 42.103 42.510 -0.434 0.000 2.049 67 c HN 0.625 nan 8.230 nan 0.000 0.636 68 G N 0.967 109.576 108.800 -0.319 0.000 2.254 68 G HA2 -0.048 3.912 3.960 0.001 0.000 0.193 68 G HA3 -0.048 3.912 3.960 0.001 0.000 0.193 68 G C -1.208 173.475 174.900 -0.362 0.000 1.233 68 G CA 0.345 45.109 45.100 -0.561 0.000 1.290 68 G HN 0.122 nan 8.290 nan 0.000 0.517 69 D N 0.810 120.960 120.400 -0.416 0.000 2.945 69 D HA 0.549 5.189 4.640 0.001 0.000 0.369 69 D C 1.310 177.575 176.300 -0.059 0.000 1.294 69 D CA 1.575 55.469 54.000 -0.178 0.000 0.778 69 D CB -0.064 40.655 40.800 -0.134 0.000 1.188 69 D HN 1.611 nan 8.370 nan 0.000 0.479 70 G N 0.554 109.379 108.800 0.042 0.000 2.702 70 G HA2 -0.446 3.514 3.960 0.001 0.000 0.342 70 G HA3 -0.446 3.514 3.960 0.001 0.000 0.342 70 G C 1.549 176.661 174.900 0.354 0.000 1.258 70 G CA 0.662 45.939 45.100 0.294 0.000 0.990 70 G HN 0.502 nan 8.290 nan 0.000 0.548 71 c N 0.977 119.692 118.600 0.191 0.000 2.511 71 c HA 0.159 4.730 4.570 0.001 0.000 0.277 71 c C 2.281 176.436 174.090 0.108 0.000 1.451 71 c CA 1.030 57.450 56.329 0.151 0.000 1.735 71 c CB -1.618 40.937 42.510 0.075 0.000 1.704 71 c HN 0.573 nan 8.230 nan 0.000 0.571 72 N N 0.402 119.146 118.700 0.073 0.000 2.270 72 N HA 0.342 5.083 4.740 0.001 0.000 0.198 72 N C 0.498 175.988 175.510 -0.032 0.000 1.117 72 N CA 0.912 53.967 53.050 0.008 0.000 0.845 72 N CB 0.303 38.775 38.487 -0.026 0.000 0.980 72 N HN 0.551 nan 8.380 nan 0.000 0.486 73 G N -2.010 106.803 108.800 0.022 0.000 2.576 73 G HA2 0.348 4.309 3.960 0.001 0.000 0.686 73 G HA3 0.348 4.309 3.960 0.001 0.000 0.686 73 G C -0.392 174.122 174.900 -0.644 0.000 1.242 73 G CA -0.682 44.353 45.100 -0.108 0.000 0.819 73 G HN 0.398 nan 8.290 nan 0.000 0.655 74 G N -1.150 106.988 108.800 -1.103 0.000 2.721 74 G HA2 0.852 4.813 3.960 0.001 0.000 0.296 74 G HA3 0.852 4.813 3.960 0.001 0.000 0.296 74 G C -1.363 172.795 174.900 -1.236 0.000 1.383 74 G CA -0.827 43.127 45.100 -1.911 0.000 0.788 74 G HN 1.015 nan 8.290 nan 0.000 0.500 75 F N 0.425 120.094 119.950 -0.469 0.000 2.403 75 F HA 0.406 4.934 4.527 0.001 0.000 0.355 75 F C -1.580 174.254 175.800 0.058 0.000 1.119 75 F CA -1.824 56.099 58.000 -0.128 0.000 1.007 75 F CB 2.464 41.395 39.000 -0.115 0.000 1.194 75 F HN 0.198 nan 8.300 nan 0.000 0.443 76 P HA -0.297 nan 4.420 nan 0.000 0.216 76 P C 1.798 179.357 177.300 0.431 0.000 1.167 76 P CA 2.600 65.926 63.100 0.377 0.000 0.914 76 P CB 0.083 31.943 31.700 0.267 0.000 0.793 77 S N -1.260 114.610 115.700 0.283 0.000 2.400 77 S HA -0.145 4.326 4.470 0.001 0.000 0.232 77 S C 2.302 177.084 174.600 0.304 0.000 1.025 77 S CA 1.548 59.890 58.200 0.237 0.000 0.993 77 S CB -1.985 61.281 63.200 0.111 0.000 0.808 77 S HN 0.255 nan 8.310 nan 0.000 0.478 78 G N 1.551 110.523 108.800 0.286 0.000 2.418 78 G HA2 0.058 4.018 3.960 0.001 0.000 0.217 78 G HA3 0.058 4.018 3.960 0.001 0.000 0.217 78 G C 1.693 176.792 174.900 0.331 0.000 1.158 78 G CA 0.889 46.146 45.100 0.262 0.000 0.771 78 G HN 0.808 nan 8.290 nan 0.000 0.545 79 A N 0.275 123.330 122.820 0.392 0.000 1.877 79 A HA -0.060 4.261 4.320 0.001 0.000 0.216 79 A C 2.170 179.952 177.584 0.329 0.000 1.186 79 A CA 1.566 53.836 52.037 0.388 0.000 0.620 79 A CB -0.719 18.511 19.000 0.383 0.000 0.822 79 A HN 0.491 nan 8.150 nan 0.000 0.443 80 W N 0.377 121.818 121.300 0.235 0.000 2.425 80 W HA -0.071 4.589 4.660 -0.000 0.000 0.277 80 W C 2.044 178.753 176.519 0.316 0.000 1.231 80 W CA 1.051 58.558 57.345 0.269 0.000 1.248 80 W CB -0.432 29.122 29.460 0.157 0.000 1.117 80 W HN 0.321 nan 8.180 nan 0.000 0.568 81 N N -0.195 118.776 118.700 0.451 0.000 2.106 81 N HA -0.196 4.544 4.740 0.001 0.000 0.188 81 N C 1.556 177.255 175.510 0.316 0.000 1.029 81 N CA 1.373 54.616 53.050 0.321 0.000 0.848 81 N CB -1.203 37.437 38.487 0.255 0.000 1.007 81 N HN 0.145 nan 8.380 nan 0.000 0.423 82 F N -0.099 119.977 119.950 0.210 0.000 2.161 82 F HA -0.203 4.325 4.527 0.002 0.000 0.300 82 F C 2.160 178.069 175.800 0.183 0.000 1.089 82 F CA 1.203 59.306 58.000 0.172 0.000 1.282 82 F CB -0.166 38.931 39.000 0.162 0.000 1.010 82 F HN 0.142 nan 8.300 nan 0.000 0.485 83 W N 1.672 123.003 121.300 0.052 0.000 2.363 83 W HA -0.183 4.477 4.660 0.001 0.000 0.296 83 W C 2.642 179.114 176.519 -0.078 0.000 1.212 83 W CA 2.813 60.096 57.345 -0.102 0.000 1.260 83 W CB -1.018 28.383 29.460 -0.098 0.000 1.131 83 W HN 0.145 nan 8.180 nan 0.000 0.530 84 T N -2.318 112.235 114.554 -0.002 0.000 3.014 84 T HA 0.011 4.362 4.350 0.001 0.000 0.263 84 T C 1.709 176.439 174.700 0.049 0.000 1.078 84 T CA 1.235 63.278 62.100 -0.096 0.000 1.135 84 T CB -0.040 68.804 68.868 -0.041 0.000 0.895 84 T HN -0.086 nan 8.240 nan 0.000 0.480 85 K N 0.803 121.216 120.400 0.022 0.000 2.078 85 K HA 0.288 4.609 4.320 0.001 0.000 0.203 85 K C 2.164 178.787 176.600 0.037 0.000 1.043 85 K CA 0.771 57.076 56.287 0.030 0.000 0.960 85 K CB 0.180 32.693 32.500 0.022 0.000 0.761 85 K HN 0.054 nan 8.250 nan 0.000 0.448 86 K N -0.404 119.805 120.400 -0.317 0.000 2.360 86 K HA 0.268 4.589 4.320 0.001 0.000 0.196 86 K C 0.272 176.387 176.600 -0.808 0.000 1.049 86 K CA 0.611 56.621 56.287 -0.462 0.000 1.049 86 K CB 0.746 32.723 32.500 -0.871 0.000 0.881 86 K HN 0.349 nan 8.250 nan 0.000 0.542 87 G N 1.617 109.845 108.800 -0.953 0.000 2.846 87 G HA2 -0.252 3.708 3.960 0.001 0.000 0.660 87 G HA3 -0.252 3.708 3.960 0.001 0.000 0.660 87 G C -0.809 173.774 174.900 -0.528 0.000 1.464 87 G CA -0.670 43.754 45.100 -1.128 0.000 0.891 87 G HN 0.129 nan 8.290 nan 0.000 0.552 88 L N -0.194 120.899 121.223 -0.216 0.000 2.381 88 L HA 0.719 5.059 4.340 0.001 0.000 0.268 88 L C 0.972 177.800 176.870 -0.069 0.000 0.997 88 L CA -1.293 53.506 54.840 -0.069 0.000 0.818 88 L CB 1.994 44.040 42.059 -0.022 0.000 1.310 88 L HN 0.965 nan 8.230 nan 0.000 0.416 89 V N -0.840 119.009 119.914 -0.108 0.000 3.262 89 V HA 0.657 4.778 4.120 0.001 0.000 0.313 89 V C 0.476 176.537 176.094 -0.056 0.000 1.070 89 V CA -0.595 61.659 62.300 -0.076 0.000 1.049 89 V CB 1.520 33.230 31.823 -0.189 0.000 1.157 89 V HN 0.872 nan 8.190 nan 0.000 0.454 90 S N -0.019 115.648 115.700 -0.054 0.000 2.617 90 S HA 0.815 5.285 4.470 0.001 0.000 0.269 90 S C 0.159 174.647 174.600 -0.187 0.000 1.292 90 S CA 0.076 58.195 58.200 -0.134 0.000 1.010 90 S CB 0.882 64.025 63.200 -0.096 0.000 0.944 90 S HN 2.324 nan 8.310 nan 0.000 0.536 91 G N -0.162 108.531 108.800 -0.179 0.000 2.405 91 G HA2 0.539 4.500 3.960 0.001 0.000 0.312 91 G HA3 0.539 4.500 3.960 0.001 0.000 0.312 91 G C -0.310 174.512 174.900 -0.129 0.000 1.579 91 G CA -0.351 44.655 45.100 -0.157 0.000 0.933 91 G HN 0.995 nan 8.290 nan 0.000 0.628 92 G N 0.094 108.838 108.800 -0.093 0.000 2.606 92 G HA2 0.666 4.626 3.960 0.001 0.000 0.262 92 G HA3 0.666 4.626 3.960 0.001 0.000 0.262 92 G C 0.520 175.420 174.900 -0.000 0.000 1.394 92 G CA -1.077 43.990 45.100 -0.056 0.000 1.044 92 G HN 0.760 nan 8.290 nan 0.000 0.553 93 L N -0.672 120.572 121.223 0.035 0.000 2.473 93 L HA 0.099 4.439 4.340 0.001 0.000 0.265 93 L C 0.406 177.366 176.870 0.150 0.000 1.243 93 L CA -0.515 54.395 54.840 0.117 0.000 0.822 93 L CB 0.267 42.392 42.059 0.111 0.000 1.101 93 L HN 0.539 nan 8.230 nan 0.000 0.507 94 Y N 2.731 123.109 120.300 0.129 0.000 2.632 94 Y HA -0.135 4.416 4.550 0.002 0.000 0.329 94 Y C 1.195 177.104 175.900 0.014 0.000 1.174 94 Y CA 0.564 58.713 58.100 0.080 0.000 1.469 94 Y CB -0.017 38.508 38.460 0.109 0.000 1.242 94 Y HN 0.632 nan 8.280 nan 0.000 0.540 95 N N 2.080 120.361 118.700 -0.699 0.000 2.800 95 N HA -0.271 4.469 4.740 0.001 0.000 0.250 95 N C 0.858 176.248 175.510 -0.201 0.000 1.078 95 N CA 1.185 53.878 53.050 -0.596 0.000 0.804 95 N CB -1.211 36.945 38.487 -0.552 0.000 1.135 95 N HN 0.763 nan 8.380 nan 0.000 0.565 96 S N -1.442 114.183 115.700 -0.126 0.000 2.501 96 S HA 0.002 4.472 4.470 0.001 0.000 0.220 96 S C 0.686 175.363 174.600 0.128 0.000 0.997 96 S CA 1.222 59.445 58.200 0.038 0.000 0.919 96 S CB -0.135 63.080 63.200 0.026 0.000 0.778 96 S HN 0.514 nan 8.310 nan 0.000 0.523 97 H N -0.604 118.428 119.070 -0.062 0.000 2.861 97 H HA -0.100 4.457 4.556 0.001 0.000 0.289 97 H C -0.571 174.742 175.328 -0.026 0.000 1.176 97 H CA 0.679 56.700 56.048 -0.044 0.000 1.146 97 H CB -2.422 27.324 29.762 -0.027 0.000 1.330 97 H HN 0.336 nan 8.280 nan 0.000 0.379 98 V N 0.297 120.224 119.914 0.023 0.000 2.439 98 V HA 0.606 4.726 4.120 0.001 0.000 0.282 98 V C 1.267 177.301 176.094 -0.100 0.000 1.039 98 V CA 0.498 62.800 62.300 0.003 0.000 0.913 98 V CB 1.303 33.127 31.823 0.003 0.000 0.983 98 V HN 0.931 nan 8.190 nan 0.000 0.460 99 G N 3.451 112.155 108.800 -0.160 0.000 2.828 99 G HA2 -0.235 3.725 3.960 0.001 0.000 0.463 99 G HA3 -0.235 3.725 3.960 0.001 0.000 0.463 99 G C 0.896 175.260 174.900 -0.893 0.000 1.394 99 G CA -0.086 44.711 45.100 -0.505 0.000 0.862 99 G HN 1.142 nan 8.290 nan 0.000 0.540 100 c N 0.064 117.969 118.600 -1.158 0.000 2.413 100 c HA 0.167 4.737 4.570 0.001 0.000 0.276 100 c C 1.512 175.452 174.090 -0.250 0.000 1.236 100 c CA 1.909 57.803 56.329 -0.724 0.000 1.735 100 c CB -1.041 41.281 42.510 -0.313 0.000 2.031 100 c HN 0.616 nan 8.230 nan 0.000 0.474 101 R N 0.316 120.710 120.500 -0.177 0.000 2.607 101 R HA 0.324 4.665 4.340 0.001 0.000 0.278 101 R C -2.863 173.392 176.300 -0.075 0.000 1.637 101 R CA -1.342 54.712 56.100 -0.077 0.000 1.325 101 R CB 1.284 31.591 30.300 0.013 0.000 1.211 101 R HN 0.305 nan 8.270 nan 0.000 0.565 102 P HA -0.084 nan 4.420 nan 0.000 0.272 102 P C -0.772 176.556 177.300 0.046 0.000 1.230 102 P CA -0.303 62.766 63.100 -0.051 0.000 0.788 102 P CB 0.417 32.041 31.700 -0.127 0.000 0.949 103 Y N 1.597 121.881 120.300 -0.026 0.000 2.610 103 Y HA 0.027 4.576 4.550 -0.000 0.000 0.332 103 Y C 1.527 177.510 175.900 0.138 0.000 1.201 103 Y CA 0.460 58.594 58.100 0.057 0.000 1.465 103 Y CB 0.307 38.854 38.460 0.145 0.000 1.283 103 Y HN 0.349 nan 8.280 nan 0.000 0.563 104 S N 4.105 119.665 115.700 -0.234 0.000 2.540 104 S HA 0.316 4.786 4.470 0.001 0.000 0.218 104 S C 0.009 174.528 174.600 -0.135 0.000 0.977 104 S CA -0.242 57.908 58.200 -0.083 0.000 0.918 104 S CB -0.483 62.649 63.200 -0.113 0.000 0.806 104 S HN 0.467 nan 8.310 nan 0.000 0.496 105 I N 2.818 123.037 120.570 -0.584 0.000 2.321 105 I HA 0.412 4.582 4.170 0.001 0.000 0.291 105 I C -2.686 173.122 176.117 -0.515 0.000 0.998 105 I CA -2.805 58.190 61.300 -0.509 0.000 1.227 105 I CB 1.467 39.132 38.000 -0.557 0.000 1.368 105 I HN -0.084 nan 8.210 nan 0.000 0.466 106 P HA 0.026 nan 4.420 nan 0.000 0.265 106 P C -2.350 174.687 177.300 -0.438 0.000 1.187 106 P CA -0.608 61.848 63.100 -1.072 0.000 0.766 106 P CB -0.237 31.033 31.700 -0.716 0.000 0.820 107 P HA 0.101 nan 4.420 nan 0.000 0.274 107 P C -0.673 176.550 177.300 -0.127 0.000 1.231 107 P CA -0.026 63.030 63.100 -0.073 0.000 0.790 107 P CB 0.591 32.308 31.700 0.028 0.000 0.951 108 c N -0.678 117.837 118.600 -0.142 0.000 3.291 108 c HA 0.509 5.079 4.570 0.001 0.000 0.316 108 c C -0.445 173.463 174.090 -0.303 0.000 1.391 108 c CA -0.955 55.221 56.329 -0.255 0.000 1.394 108 c CB 1.272 43.559 42.510 -0.370 0.000 1.744 108 c HN 0.405 nan 8.230 nan 0.000 0.461 109 E N 1.315 121.351 120.200 -0.273 0.000 2.217 109 E HA 0.208 4.559 4.350 0.001 0.000 0.279 109 E C -0.327 176.045 176.600 -0.380 0.000 1.068 109 E CA 0.320 56.605 56.400 -0.193 0.000 0.882 109 E CB 0.121 29.753 29.700 -0.114 0.000 1.039 109 E HN 0.641 nan 8.360 nan 0.000 0.418 110 H N 4.136 123.089 119.070 -0.195 0.000 2.818 110 H HA 0.090 4.646 4.556 0.000 0.000 0.269 110 H C 0.070 175.273 175.328 -0.208 0.000 1.277 110 H CA -0.288 55.486 56.048 -0.458 0.000 1.290 110 H CB 0.032 29.482 29.762 -0.520 0.000 1.479 110 H HN 0.560 nan 8.280 nan 0.000 0.507 111 H N -0.193 118.856 119.070 -0.035 0.000 2.791 111 H HA -0.155 4.400 4.556 -0.002 0.000 0.302 111 H C 0.041 175.443 175.328 0.124 0.000 1.198 111 H CA 0.903 56.981 56.048 0.049 0.000 1.145 111 H CB -2.077 27.746 29.762 0.101 0.000 1.385 111 H HN 0.438 nan 8.280 nan 0.000 0.409 112 V N -3.355 116.638 119.914 0.133 0.000 3.204 112 V HA 0.547 4.668 4.120 0.001 0.000 0.298 112 V C -0.030 176.090 176.094 0.043 0.000 1.328 112 V CA -1.318 61.047 62.300 0.109 0.000 1.035 112 V CB 2.656 34.570 31.823 0.152 0.000 1.095 112 V HN 0.090 nan 8.190 nan 0.000 0.442 113 N N 0.855 119.574 118.700 0.032 0.000 2.509 113 N HA 0.850 5.590 4.740 0.001 0.000 0.287 113 N C 0.109 175.629 175.510 0.017 0.000 1.121 113 N CA 0.674 53.730 53.050 0.011 0.000 0.977 113 N CB 1.909 40.401 38.487 0.008 0.000 1.167 113 N HN 1.383 nan 8.380 nan 0.000 0.476 114 G N -1.089 107.714 108.800 0.005 0.000 2.489 114 G HA2 0.155 4.116 3.960 0.001 0.000 0.305 114 G HA3 0.155 4.116 3.960 0.001 0.000 0.305 114 G C -0.020 174.881 174.900 0.002 0.000 1.311 114 G CA -0.308 44.800 45.100 0.013 0.000 0.813 114 G HN 0.376 nan 8.290 nan 0.000 0.480 115 S N -1.054 114.651 115.700 0.008 0.000 2.593 115 S HA 0.237 4.707 4.470 0.001 0.000 0.217 115 S C 0.978 175.575 174.600 -0.005 0.000 0.966 115 S CA 0.066 58.268 58.200 0.004 0.000 0.914 115 S CB 0.074 63.282 63.200 0.013 0.000 0.776 115 S HN 0.490 nan 8.310 nan 0.000 0.523 116 R N 1.650 122.142 120.500 -0.013 0.000 2.549 116 R HA 0.503 4.843 4.340 0.001 0.000 0.267 116 R C -2.852 173.410 176.300 -0.062 0.000 1.045 116 R CA -2.254 53.825 56.100 -0.034 0.000 1.115 116 R CB 0.105 30.384 30.300 -0.036 0.000 1.121 116 R HN 0.145 nan 8.270 nan 0.000 0.543 117 P HA 0.086 nan 4.420 nan 0.000 0.271 117 P C -2.468 174.745 177.300 -0.145 0.000 1.218 117 P CA -1.158 61.881 63.100 -0.101 0.000 0.780 117 P CB 0.243 31.879 31.700 -0.106 0.000 0.901 118 P HA 0.037 nan 4.420 nan 0.000 0.275 118 P C -0.484 176.660 177.300 -0.260 0.000 1.227 118 P CA -0.076 62.905 63.100 -0.199 0.000 0.781 118 P CB 0.440 32.047 31.700 -0.154 0.000 0.906 119 c N 2.836 121.202 118.600 -0.389 0.000 2.657 119 c HA 0.133 4.703 4.570 0.001 0.000 0.420 119 c C 2.226 176.127 174.090 -0.314 0.000 1.323 119 c CA 0.574 56.642 56.329 -0.435 0.000 1.894 119 c CB -0.649 41.437 42.510 -0.707 0.000 2.681 119 c HN 0.697 nan 8.230 nan 0.000 0.613 120 T N -1.462 112.946 114.554 -0.243 0.000 3.044 120 T HA 0.327 4.677 4.350 0.001 0.000 0.260 120 T C 1.523 176.129 174.700 -0.156 0.000 1.019 120 T CA 0.805 62.799 62.100 -0.176 0.000 0.921 120 T CB 0.073 68.860 68.868 -0.135 0.000 1.053 120 T HN 1.493 nan 8.240 nan 0.000 0.533 121 G N 2.010 110.701 108.800 -0.181 0.000 2.413 121 G HA2 -0.319 3.642 3.960 0.001 0.000 0.259 121 G HA3 -0.319 3.642 3.960 0.001 0.000 0.259 121 G C 0.040 174.885 174.900 -0.092 0.000 1.003 121 G CA 0.593 45.611 45.100 -0.137 0.000 0.629 121 G HN 0.661 nan 8.290 nan 0.000 0.548 122 E N 1.166 121.312 120.200 -0.089 0.000 1.986 122 E HA 0.507 4.857 4.350 0.001 0.000 0.264 122 E C 0.449 177.009 176.600 -0.067 0.000 1.023 122 E CA 0.183 56.544 56.400 -0.066 0.000 0.834 122 E CB 0.804 30.467 29.700 -0.060 0.000 1.111 122 E HN 0.464 nan 8.360 nan 0.000 0.417 123 G N 2.664 111.431 108.800 -0.055 0.000 2.591 123 G HA2 0.253 4.213 3.960 0.001 0.000 0.306 123 G HA3 0.253 4.213 3.960 0.001 0.000 0.306 123 G C -0.779 174.100 174.900 -0.034 0.000 1.334 123 G CA -0.673 44.393 45.100 -0.055 0.000 0.981 123 G HN 0.226 nan 8.290 nan 0.000 0.491 124 D N 0.974 121.351 120.400 -0.038 0.000 2.304 124 D HA 0.332 4.972 4.640 0.001 0.000 0.247 124 D C 0.497 176.786 176.300 -0.018 0.000 1.089 124 D CA 0.239 54.225 54.000 -0.024 0.000 0.910 124 D CB 1.365 42.149 40.800 -0.027 0.000 1.199 124 D HN 0.172 nan 8.370 nan 0.000 0.426 125 T N 2.876 117.432 114.554 0.002 0.000 2.853 125 T HA 0.255 4.605 4.350 0.001 0.000 0.298 125 T C -1.932 172.764 174.700 -0.007 0.000 0.978 125 T CA -0.813 61.297 62.100 0.016 0.000 1.152 125 T CB 0.563 69.456 68.868 0.041 0.000 0.914 125 T HN 0.131 nan 8.240 nan 0.000 0.539 126 P HA 0.221 nan 4.420 nan 0.000 0.272 126 P C 0.026 177.315 177.300 -0.020 0.000 1.240 126 P CA -0.621 62.457 63.100 -0.036 0.000 0.791 126 P CB 0.572 32.233 31.700 -0.065 0.000 0.978 127 K N 0.031 120.417 120.400 -0.024 0.000 2.258 127 K HA 0.158 4.479 4.320 0.001 0.000 0.264 127 K C -0.056 176.532 176.600 -0.020 0.000 1.007 127 K CA -0.220 56.056 56.287 -0.020 0.000 0.941 127 K CB 0.310 32.795 32.500 -0.025 0.000 0.966 127 K HN 0.466 nan 8.250 nan 0.000 0.480 128 c N 2.873 121.464 118.600 -0.015 0.000 2.252 128 c HA 0.202 4.772 4.570 0.001 0.000 0.342 128 c C 0.396 174.452 174.090 -0.057 0.000 1.110 128 c CA -0.283 56.037 56.329 -0.015 0.000 1.581 128 c CB -1.360 41.157 42.510 0.011 0.000 2.087 128 c HN 0.627 nan 8.230 nan 0.000 0.500 129 S N 5.086 120.733 115.700 -0.088 0.000 2.438 129 S HA 0.409 4.880 4.470 0.001 0.000 0.316 129 S C 0.225 174.629 174.600 -0.326 0.000 1.084 129 S CA -0.501 57.611 58.200 -0.147 0.000 1.107 129 S CB 0.269 63.411 63.200 -0.097 0.000 0.981 129 S HN 0.839 nan 8.310 nan 0.000 0.466 130 K N 3.858 123.966 120.400 -0.487 0.000 3.192 130 K HA 0.148 4.469 4.320 0.001 0.000 0.269 130 K C 0.115 176.254 176.600 -0.768 0.000 1.270 130 K CA -0.151 55.439 56.287 -1.162 0.000 1.249 130 K CB -0.261 31.746 32.500 -0.822 0.000 1.528 130 K HN 0.738 nan 8.250 nan 0.000 0.360 131 T N -3.221 111.108 114.554 -0.375 0.000 2.896 131 T HA 0.419 4.769 4.350 0.001 0.000 0.297 131 T C 0.019 174.771 174.700 0.086 0.000 1.108 131 T CA -0.874 61.196 62.100 -0.050 0.000 1.004 131 T CB 1.241 70.089 68.868 -0.032 0.000 1.159 131 T HN 0.088 nan 8.240 nan 0.000 0.499 132 c N 2.106 120.806 118.600 0.168 0.000 2.335 132 c HA 0.638 5.209 4.570 0.001 0.000 0.363 132 c C 0.961 175.119 174.090 0.113 0.000 1.198 132 c CA -0.769 55.663 56.329 0.171 0.000 2.279 132 c CB 0.573 43.272 42.510 0.315 0.000 2.334 132 c HN 1.103 nan 8.230 nan 0.000 0.559 133 E N 2.795 123.037 120.200 0.070 0.000 2.436 133 E HA 0.148 4.498 4.350 0.001 0.000 0.262 133 E C -2.338 174.335 176.600 0.121 0.000 1.063 133 E CA -0.620 55.818 56.400 0.064 0.000 0.944 133 E CB -0.134 29.583 29.700 0.029 0.000 0.950 133 E HN 0.427 nan 8.360 nan 0.000 0.444 134 P HA 0.002 nan 4.420 nan 0.000 0.268 134 P C 0.717 178.085 177.300 0.114 0.000 1.204 134 P CA 0.902 64.057 63.100 0.093 0.000 0.768 134 P CB 0.918 32.658 31.700 0.066 0.000 0.842 135 G N 1.682 110.542 108.800 0.099 0.000 2.268 135 G HA2 -0.288 3.673 3.960 0.001 0.000 0.240 135 G HA3 -0.288 3.673 3.960 0.001 0.000 0.240 135 G C -0.122 174.846 174.900 0.112 0.000 1.010 135 G CA 0.036 45.190 45.100 0.088 0.000 0.618 135 G HN 0.611 nan 8.290 nan 0.000 0.516 136 Y N 2.268 122.592 120.300 0.040 0.000 2.301 136 Y HA 0.605 5.155 4.550 0.001 0.000 0.328 136 Y C 0.308 176.232 175.900 0.040 0.000 1.242 136 Y CA 0.272 58.397 58.100 0.042 0.000 1.323 136 Y CB 1.437 39.926 38.460 0.049 0.000 1.266 136 Y HN 0.217 nan 8.280 nan 0.000 0.527 137 S N 6.126 121.246 115.700 -0.967 0.000 2.541 137 S HA 0.441 4.911 4.470 0.001 0.000 0.271 137 S C -2.649 171.427 174.600 -0.873 0.000 1.133 137 S CA -1.130 56.703 58.200 -0.610 0.000 0.876 137 S CB 2.137 65.156 63.200 -0.302 0.000 1.105 137 S HN 0.605 nan 8.310 nan 0.000 0.470 138 P HA 0.277 nan 4.420 nan 0.000 0.318 138 P C -0.062 177.252 177.300 0.024 0.000 1.309 138 P CA -0.418 62.613 63.100 -0.116 0.000 0.736 138 P CB 0.089 31.762 31.700 -0.046 0.000 1.440 139 S N -1.870 113.870 115.700 0.066 0.000 2.606 139 S HA -0.026 4.444 4.470 0.001 0.000 0.257 139 S C 1.312 176.028 174.600 0.193 0.000 1.327 139 S CA -0.263 58.020 58.200 0.138 0.000 0.984 139 S CB -0.509 62.757 63.200 0.109 0.000 0.941 139 S HN 0.492 nan 8.310 nan 0.000 0.576 140 Y N 1.555 121.916 120.300 0.101 0.000 2.081 140 Y HA -0.209 4.342 4.550 0.000 0.000 0.280 140 Y C 2.604 178.545 175.900 0.069 0.000 1.163 140 Y CA 2.449 60.602 58.100 0.088 0.000 1.135 140 Y CB -0.455 38.044 38.460 0.065 0.000 0.970 140 Y HN 0.854 nan 8.280 nan 0.000 0.498 141 K N 0.314 120.800 120.400 0.144 0.000 2.147 141 K HA -0.206 4.114 4.320 0.001 0.000 0.205 141 K C 1.553 178.146 176.600 -0.011 0.000 1.049 141 K CA 2.034 58.348 56.287 0.046 0.000 0.936 141 K CB -0.229 32.352 32.500 0.133 0.000 0.722 141 K HN 0.540 nan 8.250 nan 0.000 0.446 142 E N -0.157 120.049 120.200 0.010 0.000 2.478 142 E HA -0.093 4.257 4.350 0.001 0.000 0.194 142 E C 0.598 177.173 176.600 -0.043 0.000 1.045 142 E CA 0.484 56.880 56.400 -0.006 0.000 0.868 142 E CB 0.242 29.947 29.700 0.009 0.000 0.885 142 E HN 0.317 nan 8.360 nan 0.000 0.505 143 D N 0.495 120.865 120.400 -0.051 0.000 2.349 143 D HA -0.010 4.631 4.640 0.001 0.000 0.214 143 D C -0.067 176.134 176.300 -0.165 0.000 1.063 143 D CA 0.126 54.110 54.000 -0.025 0.000 0.847 143 D CB 0.330 41.214 40.800 0.139 0.000 0.933 143 D HN -0.225 nan 8.370 nan 0.000 0.513 144 K N 0.708 120.956 120.400 -0.253 0.000 2.412 144 K HA 0.123 4.443 4.320 0.001 0.000 0.281 144 K C -0.730 175.636 176.600 -0.391 0.000 1.027 144 K CA 0.040 56.117 56.287 -0.350 0.000 0.989 144 K CB 0.510 32.763 32.500 -0.412 0.000 0.935 144 K HN 0.295 nan 8.250 nan 0.000 0.475 145 H N 2.060 121.000 119.070 -0.217 0.000 2.511 145 H HA 0.313 4.869 4.556 0.001 0.000 0.328 145 H C -0.727 174.538 175.328 -0.105 0.000 1.044 145 H CA -0.379 55.664 56.048 -0.009 0.000 1.212 145 H CB 0.447 30.272 29.762 0.106 0.000 1.428 145 H HN 0.302 nan 8.280 nan 0.000 0.483 146 F N 1.084 121.010 119.950 -0.040 0.000 2.422 146 F HA 0.485 5.013 4.527 0.001 0.000 0.333 146 F C 1.253 176.567 175.800 -0.811 0.000 1.095 146 F CA -0.670 57.112 58.000 -0.362 0.000 1.038 146 F CB 1.521 40.348 39.000 -0.288 0.000 1.156 146 F HN 0.579 nan 8.300 nan 0.000 0.483 147 G N 0.292 108.181 108.800 -1.519 0.000 2.400 147 G HA2 0.339 4.299 3.960 0.001 0.000 0.301 147 G HA3 0.339 4.299 3.960 0.001 0.000 0.301 147 G C -0.240 174.219 174.900 -0.735 0.000 1.154 147 G CA -0.404 43.476 45.100 -2.034 0.000 0.852 147 G HN 0.907 nan 8.290 nan 0.000 0.511 148 c N 0.883 119.211 118.600 -0.453 0.000 2.906 148 c HA 0.549 5.119 4.570 0.001 0.000 0.274 148 c C 1.099 175.133 174.090 -0.094 0.000 1.257 148 c CA 0.199 56.407 56.329 -0.202 0.000 1.695 148 c CB -1.822 40.611 42.510 -0.128 0.000 1.958 148 c HN 0.882 nan 8.230 nan 0.000 0.619 149 S N -0.898 114.762 115.700 -0.067 0.000 2.558 149 S HA 0.555 5.025 4.470 0.001 0.000 0.277 149 S C -1.082 173.607 174.600 0.149 0.000 1.143 149 S CA -0.317 57.935 58.200 0.087 0.000 0.865 149 S CB 1.414 64.724 63.200 0.183 0.000 1.102 149 S HN 0.152 nan 8.310 nan 0.000 0.454 150 S N 1.843 117.645 115.700 0.170 0.000 2.594 150 S HA 0.843 5.313 4.470 0.001 0.000 0.296 150 S C -1.249 173.408 174.600 0.095 0.000 1.124 150 S CA -0.582 57.691 58.200 0.122 0.000 1.011 150 S CB 0.432 63.772 63.200 0.234 0.000 1.016 150 S HN 1.395 nan 8.310 nan 0.000 0.485 151 Y N 0.482 120.763 120.300 -0.031 0.000 2.689 151 Y HA 0.829 5.380 4.550 0.001 0.000 0.333 151 Y C -0.804 175.014 175.900 -0.136 0.000 1.190 151 Y CA -1.275 56.786 58.100 -0.065 0.000 1.063 151 Y CB 0.778 39.205 38.460 -0.054 0.000 1.294 151 Y HN 0.379 nan 8.280 nan 0.000 0.466 152 S N 1.012 116.809 115.700 0.162 0.000 2.519 152 S HA 0.634 5.104 4.470 0.001 0.000 0.309 152 S C -0.973 173.681 174.600 0.091 0.000 1.100 152 S CA -0.814 57.414 58.200 0.047 0.000 1.059 152 S CB 1.562 64.770 63.200 0.015 0.000 1.008 152 S HN 0.573 nan 8.310 nan 0.000 0.478 153 V N 2.729 122.673 119.914 0.049 0.000 2.546 153 V HA 0.555 4.676 4.120 0.001 0.000 0.284 153 V C 0.833 176.929 176.094 0.005 0.000 1.050 153 V CA -0.780 61.542 62.300 0.037 0.000 0.981 153 V CB 1.007 32.843 31.823 0.023 0.000 0.990 153 V HN 1.037 nan 8.190 nan 0.000 0.474 154 A N 3.444 126.266 122.820 0.003 0.000 2.448 154 A HA 0.123 4.443 4.320 0.001 0.000 0.239 154 A C 0.867 178.454 177.584 0.006 0.000 1.080 154 A CA -0.139 51.899 52.037 0.002 0.000 0.779 154 A CB -0.120 18.880 19.000 -0.001 0.000 1.026 154 A HN 0.852 nan 8.150 nan 0.000 0.499 155 N N 2.052 120.760 118.700 0.013 0.000 3.027 155 N HA -0.038 4.703 4.740 0.001 0.000 0.309 155 N C -0.837 174.695 175.510 0.037 0.000 1.222 155 N CA 0.226 53.293 53.050 0.028 0.000 1.187 155 N CB -0.714 37.792 38.487 0.033 0.000 1.458 155 N HN 0.620 nan 8.380 nan 0.000 0.535 156 N N 1.283 120.005 118.700 0.037 0.000 2.533 156 N HA 0.008 4.748 4.740 0.001 0.000 0.289 156 N C 0.584 176.128 175.510 0.056 0.000 1.103 156 N CA -0.271 52.800 53.050 0.034 0.000 0.877 156 N CB 1.240 39.732 38.487 0.008 0.000 1.419 156 N HN 0.337 nan 8.380 nan 0.000 0.517 157 E N 2.799 123.047 120.200 0.081 0.000 2.086 157 E HA -0.286 4.065 4.350 0.001 0.000 0.205 157 E C 0.598 177.200 176.600 0.003 0.000 1.027 157 E CA 1.766 58.235 56.400 0.114 0.000 0.830 157 E CB 0.323 30.021 29.700 -0.002 0.000 0.751 157 E HN 0.388 nan 8.360 nan 0.000 0.456 158 K N 0.708 121.063 120.400 -0.075 0.000 2.057 158 K HA -0.134 4.186 4.320 0.001 0.000 0.207 158 K C 2.005 178.549 176.600 -0.094 0.000 1.049 158 K CA 1.742 57.950 56.287 -0.132 0.000 0.931 158 K CB -0.156 32.277 32.500 -0.112 0.000 0.714 158 K HN 0.266 nan 8.250 nan 0.000 0.440 159 E N -0.294 119.882 120.200 -0.040 0.000 2.106 159 E HA -0.149 4.201 4.350 0.001 0.000 0.192 159 E C 1.723 178.324 176.600 0.002 0.000 0.984 159 E CA 0.917 57.304 56.400 -0.021 0.000 0.806 159 E CB -0.110 29.582 29.700 -0.013 0.000 0.750 159 E HN 0.115 nan 8.360 nan 0.000 0.458 160 I N 0.720 121.303 120.570 0.022 0.000 2.226 160 I HA -0.255 3.916 4.170 0.001 0.000 0.245 160 I C 2.252 178.413 176.117 0.072 0.000 1.100 160 I CA 1.439 62.757 61.300 0.030 0.000 1.374 160 I CB -0.516 37.485 38.000 0.002 0.000 1.057 160 I HN 0.139 nan 8.210 nan 0.000 0.413 161 M N -0.195 119.404 119.600 -0.001 0.000 2.099 161 M HA -0.162 4.319 4.480 0.001 0.000 0.262 161 M C 2.404 178.686 176.300 -0.030 0.000 1.067 161 M CA 1.983 57.122 55.300 -0.268 0.000 1.124 161 M CB -0.498 31.548 32.600 -0.922 0.000 1.353 161 M HN 0.262 nan 8.290 nan 0.000 0.410 162 A N -0.027 122.770 122.820 -0.037 0.000 1.933 162 A HA -0.219 4.102 4.320 0.001 0.000 0.218 162 A C 1.945 179.629 177.584 0.166 0.000 1.175 162 A CA 2.140 54.212 52.037 0.058 0.000 0.628 162 A CB -0.683 18.320 19.000 0.006 0.000 0.814 162 A HN 0.471 nan 8.150 nan 0.000 0.444 163 E N 0.261 120.540 120.200 0.133 0.000 2.077 163 E HA -0.151 4.199 4.350 0.001 0.000 0.193 163 E C 1.754 178.494 176.600 0.233 0.000 0.989 163 E CA 1.414 57.913 56.400 0.165 0.000 0.800 163 E CB -0.257 29.519 29.700 0.127 0.000 0.746 163 E HN 0.484 nan 8.360 nan 0.000 0.452 164 I N 0.236 120.964 120.570 0.263 0.000 2.202 164 I HA -0.230 3.940 4.170 0.001 0.000 0.242 164 I C 2.238 178.552 176.117 0.327 0.000 1.091 164 I CA 1.275 62.782 61.300 0.344 0.000 1.368 164 I CB -1.263 37.016 38.000 0.466 0.000 1.058 164 I HN 0.245 nan 8.210 nan 0.000 0.410 165 Y N 1.924 122.224 120.300 0.000 0.000 2.114 165 Y HA -0.340 4.211 4.550 0.000 0.000 0.282 165 Y C 2.838 178.811 175.900 0.122 0.000 1.165 165 Y CA 2.512 60.427 58.100 -0.308 0.000 1.148 165 Y CB -0.038 38.333 38.460 -0.148 0.000 0.972 165 Y HN 0.064 nan 8.280 nan 0.000 0.504 166 K N -0.357 120.228 120.400 0.307 0.000 2.078 166 K HA -0.041 4.280 4.320 0.001 0.000 0.203 166 K C 1.086 177.930 176.600 0.408 0.000 1.043 166 K CA 1.562 58.029 56.287 0.299 0.000 0.960 166 K CB -0.115 32.552 32.500 0.278 0.000 0.761 166 K HN 0.397 nan 8.250 nan 0.000 0.448 167 N N -0.418 118.513 118.700 0.386 0.000 2.236 167 N HA 0.159 4.900 4.740 0.001 0.000 0.196 167 N C -0.340 175.352 175.510 0.303 0.000 1.114 167 N CA 0.088 53.392 53.050 0.422 0.000 0.859 167 N CB 1.448 40.111 38.487 0.294 0.000 0.982 167 N HN 0.357 nan 8.380 nan 0.000 0.493 168 G N 1.135 110.087 108.800 0.253 0.000 2.655 168 G HA2 -0.168 3.793 3.960 0.001 0.000 0.680 168 G HA3 -0.168 3.793 3.960 0.001 0.000 0.680 168 G C -2.925 172.087 174.900 0.188 0.000 1.302 168 G CA -1.302 43.817 45.100 0.032 0.000 0.872 168 G HN -0.139 nan 8.290 nan 0.000 0.540 169 P HA 0.343 nan 4.420 nan 0.000 0.264 169 P C 0.529 177.911 177.300 0.136 0.000 1.179 169 P CA 0.578 63.783 63.100 0.175 0.000 0.763 169 P CB 0.842 32.627 31.700 0.141 0.000 0.806 170 V N -0.285 119.685 119.914 0.094 0.000 3.158 170 V HA 0.604 4.724 4.120 0.001 0.000 0.315 170 V C -0.380 175.742 176.094 0.045 0.000 1.148 170 V CA -1.011 61.298 62.300 0.015 0.000 1.042 170 V CB 1.951 33.725 31.823 -0.082 0.000 1.101 170 V HN 0.441 nan 8.190 nan 0.000 0.448 171 E N 0.049 120.271 120.200 0.036 0.000 2.204 171 E HA 0.704 5.054 4.350 0.001 0.000 0.276 171 E C -0.204 176.389 176.600 -0.010 0.000 0.974 171 E CA -0.172 56.284 56.400 0.094 0.000 0.815 171 E CB 1.695 31.588 29.700 0.321 0.000 1.119 171 E HN 1.205 nan 8.360 nan 0.000 0.393 172 G N 1.400 110.195 108.800 -0.008 0.000 2.949 172 G HA2 0.787 4.748 3.960 0.001 0.000 0.285 172 G HA3 0.787 4.748 3.960 0.001 0.000 0.285 172 G C -1.576 173.348 174.900 0.041 0.000 1.395 172 G CA -0.349 44.736 45.100 -0.024 0.000 0.901 172 G HN 0.658 nan 8.290 nan 0.000 0.519 173 A N -0.899 121.969 122.820 0.081 0.000 2.574 173 A HA 0.874 5.194 4.320 0.001 0.000 0.297 173 A C -1.246 176.472 177.584 0.224 0.000 1.062 173 A CA -0.590 51.517 52.037 0.116 0.000 0.686 173 A CB 1.277 20.308 19.000 0.052 0.000 1.285 173 A HN 2.041 nan 8.150 nan 0.000 0.403 174 F N -0.636 119.285 119.950 -0.047 0.000 2.711 174 F HA 0.803 5.331 4.527 0.003 0.000 0.313 174 F C -0.373 175.366 175.800 -0.103 0.000 1.141 174 F CA -1.031 56.940 58.000 -0.048 0.000 0.941 174 F CB 0.996 39.985 39.000 -0.018 0.000 1.349 174 F HN 0.332 nan 8.300 nan 0.000 0.464 175 S N 1.421 117.031 115.700 -0.150 0.000 2.474 175 S HA 0.515 4.986 4.470 0.001 0.000 0.276 175 S C -0.461 173.786 174.600 -0.588 0.000 1.227 175 S CA -0.586 57.371 58.200 -0.404 0.000 1.050 175 S CB 0.935 63.947 63.200 -0.314 0.000 0.939 175 S HN 0.539 nan 8.310 nan 0.000 0.490 176 V N 5.002 124.457 119.914 -0.764 0.000 2.407 176 V HA 0.358 4.478 4.120 0.001 0.000 0.278 176 V C -0.832 174.982 176.094 -0.467 0.000 1.037 176 V CA -0.403 61.529 62.300 -0.613 0.000 0.900 176 V CB 0.352 31.821 31.823 -0.591 0.000 0.983 176 V HN 0.768 nan 8.190 nan 0.000 0.459 177 Y N 2.060 122.326 120.300 -0.057 0.000 2.528 177 Y HA 0.247 4.796 4.550 -0.001 0.000 0.335 177 Y C 1.683 177.669 175.900 0.144 0.000 1.093 177 Y CA 0.027 58.128 58.100 0.002 0.000 1.134 177 Y CB 1.938 40.328 38.460 -0.117 0.000 1.253 177 Y HN 0.699 nan 8.280 nan 0.000 0.478 178 S N -0.384 115.484 115.700 0.279 0.000 2.407 178 S HA -0.278 4.193 4.470 0.001 0.000 0.235 178 S C 1.327 176.078 174.600 0.251 0.000 1.036 178 S CA 1.958 60.274 58.200 0.194 0.000 1.013 178 S CB -0.519 62.769 63.200 0.145 0.000 0.820 178 S HN 0.880 nan 8.310 nan 0.000 0.476 179 D N 0.414 121.036 120.400 0.370 0.000 2.350 179 D HA -0.112 4.528 4.640 0.001 0.000 0.216 179 D C 1.414 177.988 176.300 0.457 0.000 0.968 179 D CA 0.449 54.681 54.000 0.386 0.000 0.894 179 D CB -0.846 40.209 40.800 0.426 0.000 0.909 179 D HN 0.590 nan 8.370 nan 0.000 0.520 180 F N 1.068 121.183 119.950 0.275 0.000 2.367 180 F HA 0.153 4.679 4.527 -0.001 0.000 0.298 180 F C 1.881 177.800 175.800 0.199 0.000 1.094 180 F CA 0.358 58.363 58.000 0.009 0.000 1.409 180 F CB 0.017 38.853 39.000 -0.274 0.000 1.064 180 F HN -0.140 nan 8.300 nan 0.000 0.528 181 L N -0.266 121.072 121.223 0.191 0.000 2.127 181 L HA -0.206 4.135 4.340 0.001 0.000 0.211 181 L C 1.607 178.625 176.870 0.247 0.000 1.089 181 L CA 0.586 55.517 54.840 0.153 0.000 0.757 181 L CB -0.698 41.226 42.059 -0.225 0.000 0.899 181 L HN 0.184 nan 8.230 nan 0.000 0.434 182 L N -1.418 119.879 121.223 0.124 0.000 2.592 182 L HA 0.083 4.424 4.340 0.001 0.000 0.227 182 L C 0.493 177.327 176.870 -0.059 0.000 1.127 182 L CA -0.109 54.765 54.840 0.058 0.000 0.884 182 L CB -1.294 40.801 42.059 0.059 0.000 1.065 182 L HN 0.091 nan 8.230 nan 0.000 0.457 183 Y N 0.405 120.563 120.300 -0.237 0.000 2.895 183 Y HA -0.168 4.382 4.550 -0.000 0.000 0.334 183 Y C 1.369 176.989 175.900 -0.466 0.000 1.261 183 Y CA 0.964 58.862 58.100 -0.336 0.000 1.560 183 Y CB 0.453 38.583 38.460 -0.549 0.000 1.253 183 Y HN -0.021 nan 8.280 nan 0.000 0.582 184 K N 2.338 122.105 120.400 -1.055 0.000 2.424 184 K HA 0.239 4.559 4.320 0.001 0.000 0.200 184 K C -0.551 175.498 176.600 -0.918 0.000 1.279 184 K CA 0.818 56.631 56.287 -0.790 0.000 0.918 184 K CB 0.624 32.869 32.500 -0.424 0.000 1.287 184 K HN 0.710 nan 8.250 nan 0.000 0.502 185 S N -2.053 113.001 115.700 -1.076 0.000 2.703 185 S HA 0.697 5.167 4.470 0.001 0.000 0.273 185 S C 0.130 174.550 174.600 -0.299 0.000 1.178 185 S CA -0.458 57.407 58.200 -0.558 0.000 0.838 185 S CB 0.768 63.817 63.200 -0.252 0.000 1.178 185 S HN 0.591 nan 8.310 nan 0.000 0.494 186 G N -0.605 108.175 108.800 -0.033 0.000 2.693 186 G HA2 -0.016 3.944 3.960 0.001 0.000 0.226 186 G HA3 -0.016 3.944 3.960 0.001 0.000 0.226 186 G C -0.744 174.281 174.900 0.209 0.000 1.354 186 G CA -0.402 44.729 45.100 0.052 0.000 0.873 186 G HN 1.728 nan 8.290 nan 0.000 0.562 187 V N 1.152 121.168 119.914 0.169 0.000 2.348 187 V HA 0.427 4.547 4.120 0.001 0.000 0.270 187 V C 0.368 176.638 176.094 0.292 0.000 1.037 187 V CA -0.256 62.173 62.300 0.216 0.000 0.872 187 V CB 0.842 32.755 31.823 0.149 0.000 1.002 187 V HN 0.830 nan 8.190 nan 0.000 0.464 188 Y N 5.246 125.741 120.300 0.325 0.000 2.511 188 Y HA 0.283 4.833 4.550 -0.000 0.000 0.332 188 Y C 0.364 176.384 175.900 0.200 0.000 1.177 188 Y CA 0.465 58.766 58.100 0.335 0.000 1.422 188 Y CB 0.441 39.131 38.460 0.384 0.000 1.271 188 Y HN 0.622 nan 8.280 nan 0.000 0.550 189 Q N 4.675 124.015 119.800 -0.767 0.000 2.263 189 Q HA 0.095 4.435 4.340 0.001 0.000 0.266 189 Q C -1.631 174.020 176.000 -0.582 0.000 1.002 189 Q CA -1.047 54.338 55.803 -0.697 0.000 0.790 189 Q CB 1.348 29.856 28.738 -0.382 0.000 1.272 189 Q HN 0.781 nan 8.270 nan 0.000 0.435 190 H N 2.330 121.287 119.070 -0.188 0.000 3.026 190 H HA 0.139 4.695 4.556 -0.000 0.000 0.289 190 H C 0.419 175.741 175.328 -0.011 0.000 1.022 190 H CA 0.488 56.540 56.048 0.006 0.000 1.477 190 H CB 0.498 30.328 29.762 0.114 0.000 1.510 190 H HN 0.439 nan 8.280 nan 0.000 0.535 191 V N 1.294 121.015 119.914 -0.322 0.000 3.539 191 V HA 0.340 4.460 4.120 0.001 0.000 0.262 191 V C 0.522 176.401 176.094 -0.357 0.000 1.381 191 V CA 0.481 62.572 62.300 -0.349 0.000 1.060 191 V CB 0.183 31.930 31.823 -0.128 0.000 0.842 191 V HN 0.629 nan 8.190 nan 0.000 0.445 192 S N -1.139 114.451 115.700 -0.184 0.000 2.615 192 S HA 0.738 5.209 4.470 0.001 0.000 0.269 192 S C -0.410 174.330 174.600 0.234 0.000 1.161 192 S CA 0.514 58.710 58.200 -0.007 0.000 0.817 192 S CB 1.204 64.421 63.200 0.029 0.000 1.131 192 S HN 2.316 nan 8.310 nan 0.000 0.467 193 G N 1.886 110.820 108.800 0.222 0.000 2.617 193 G HA2 0.118 4.078 3.960 0.001 0.000 0.686 193 G HA3 0.118 4.078 3.960 0.001 0.000 0.686 193 G C -0.945 174.160 174.900 0.343 0.000 1.214 193 G CA -0.218 45.048 45.100 0.278 0.000 0.796 193 G HN 1.080 nan 8.290 nan 0.000 0.654 194 E N 0.461 120.815 120.200 0.258 0.000 2.366 194 E HA 0.541 4.891 4.350 0.001 0.000 0.266 194 E C 0.526 177.274 176.600 0.246 0.000 1.051 194 E CA -0.907 55.636 56.400 0.239 0.000 0.884 194 E CB 1.578 31.354 29.700 0.127 0.000 1.006 194 E HN 0.964 nan 8.360 nan 0.000 0.417 195 I N 2.752 123.423 120.570 0.168 0.000 2.683 195 I HA -0.109 4.061 4.170 0.001 0.000 0.286 195 I C 0.442 176.459 176.117 -0.167 0.000 1.175 195 I CA 0.276 61.454 61.300 -0.202 0.000 1.429 195 I CB 0.508 38.398 38.000 -0.183 0.000 1.371 195 I HN 0.726 nan 8.210 nan 0.000 0.569 196 M N 5.546 124.992 119.600 -0.257 0.000 2.461 196 M HA 0.392 4.873 4.480 0.001 0.000 0.255 196 M C 0.823 177.013 176.300 -0.184 0.000 1.137 196 M CA 0.651 55.852 55.300 -0.164 0.000 1.086 196 M CB -0.821 31.696 32.600 -0.138 0.000 1.356 196 M HN 0.818 nan 8.290 nan 0.000 0.487 197 G N -0.177 108.464 108.800 -0.266 0.000 2.408 197 G HA2 0.092 4.052 3.960 0.001 0.000 0.682 197 G HA3 0.092 4.052 3.960 0.001 0.000 0.682 197 G C -0.367 174.373 174.900 -0.267 0.000 1.303 197 G CA -0.774 44.197 45.100 -0.215 0.000 0.966 197 G HN 0.448 nan 8.290 nan 0.000 0.560 198 G N -0.959 107.728 108.800 -0.188 0.000 2.467 198 G HA2 0.564 4.525 3.960 0.001 0.000 0.257 198 G HA3 0.564 4.525 3.960 0.001 0.000 0.257 198 G C -0.523 174.286 174.900 -0.151 0.000 1.227 198 G CA 0.325 45.309 45.100 -0.194 0.000 0.835 198 G HN 1.243 nan 8.290 nan 0.000 0.556 199 H N 0.406 119.219 119.070 -0.429 0.000 2.744 199 H HA 0.604 5.161 4.556 0.002 0.000 0.339 199 H C -0.153 175.054 175.328 -0.203 0.000 1.004 199 H CA -0.223 55.599 56.048 -0.377 0.000 1.257 199 H CB 1.300 30.659 29.762 -0.672 0.000 1.552 199 H HN 0.685 nan 8.280 nan 0.000 0.522 200 A N 4.678 127.316 122.820 -0.303 0.000 2.331 200 A HA 0.634 4.954 4.320 0.001 0.000 0.283 200 A C -0.535 176.829 177.584 -0.366 0.000 1.142 200 A CA -0.079 51.849 52.037 -0.182 0.000 0.812 200 A CB -0.285 18.716 19.000 0.002 0.000 1.074 200 A HN 0.677 nan 8.150 nan 0.000 0.497 201 I N -1.212 119.267 120.570 -0.152 0.000 3.493 201 I HA 0.694 4.864 4.170 0.001 0.000 0.315 201 I C -0.379 175.711 176.117 -0.045 0.000 1.202 201 I CA -1.057 60.165 61.300 -0.130 0.000 0.943 201 I CB 1.631 39.625 38.000 -0.010 0.000 1.349 201 I HN 0.610 nan 8.210 nan 0.000 0.480 202 R N 1.359 121.831 120.500 -0.047 0.000 2.360 202 R HA 0.750 5.090 4.340 0.001 0.000 0.318 202 R C -1.774 174.522 176.300 -0.006 0.000 0.950 202 R CA -0.499 55.596 56.100 -0.009 0.000 0.837 202 R CB 0.965 31.264 30.300 -0.003 0.000 1.165 202 R HN 0.756 nan 8.270 nan 0.000 0.458 203 I N 7.318 127.888 120.570 -0.001 0.000 2.315 203 I HA 0.148 4.319 4.170 0.001 0.000 0.291 203 I C 0.823 177.030 176.117 0.150 0.000 1.006 203 I CA -0.475 60.840 61.300 0.025 0.000 1.265 203 I CB 1.550 39.475 38.000 -0.125 0.000 1.387 203 I HN 0.672 nan 8.210 nan 0.000 0.475 204 L N 3.675 125.036 121.223 0.230 0.000 2.959 204 L HA 0.795 5.136 4.340 0.001 0.000 0.259 204 L C 0.443 177.543 176.870 0.384 0.000 1.185 204 L CA -0.276 54.741 54.840 0.296 0.000 0.998 204 L CB 0.251 42.458 42.059 0.248 0.000 1.337 204 L HN 0.671 nan 8.230 nan 0.000 0.555 205 G N -0.391 108.689 108.800 0.468 0.000 2.325 205 G HA2 0.404 4.365 3.960 0.001 0.000 0.295 205 G HA3 0.404 4.365 3.960 0.001 0.000 0.295 205 G C -2.559 172.727 174.900 0.643 0.000 1.274 205 G CA -0.122 45.258 45.100 0.467 0.000 0.857 205 G HN 0.421 nan 8.290 nan 0.000 0.499 206 W N -1.645 119.816 121.300 0.268 0.000 2.982 206 W HA 0.839 5.499 4.660 0.000 0.000 0.344 206 W C -0.042 176.271 176.519 -0.344 0.000 1.215 206 W CA -0.593 56.721 57.345 -0.052 0.000 1.182 206 W CB 0.739 30.093 29.460 -0.177 0.000 1.437 206 W HN 1.834 nan 8.180 nan 0.000 0.570 207 G N -0.391 107.969 108.800 -0.733 0.000 2.490 207 G HA2 0.598 4.558 3.960 0.001 0.000 0.308 207 G HA3 0.598 4.558 3.960 0.001 0.000 0.308 207 G C -2.468 171.920 174.900 -0.853 0.000 1.286 207 G CA -0.552 44.108 45.100 -0.733 0.000 0.825 207 G HN 1.090 nan 8.290 nan 0.000 0.479 208 V N 0.447 120.195 119.914 -0.276 0.000 2.525 208 V HA 0.622 4.742 4.120 0.001 0.000 0.299 208 V C -0.690 175.546 176.094 0.236 0.000 1.034 208 V CA -0.583 61.708 62.300 -0.015 0.000 0.863 208 V CB 1.641 33.455 31.823 -0.014 0.000 0.999 208 V HN 0.798 nan 8.190 nan 0.000 0.423 209 E N 3.817 124.220 120.200 0.339 0.000 2.145 209 E HA 0.427 4.777 4.350 0.001 0.000 0.262 209 E C -0.349 176.326 176.600 0.125 0.000 0.883 209 E CA -0.553 55.988 56.400 0.235 0.000 0.748 209 E CB 0.561 30.377 29.700 0.194 0.000 1.140 209 E HN 0.747 nan 8.360 nan 0.000 0.417 210 N N 3.504 122.252 118.700 0.080 0.000 2.714 210 N HA -0.238 4.502 4.740 0.001 0.000 0.253 210 N C 0.567 176.102 175.510 0.042 0.000 1.024 210 N CA 1.307 54.386 53.050 0.048 0.000 0.726 210 N CB -1.192 37.318 38.487 0.038 0.000 0.908 210 N HN 0.932 nan 8.380 nan 0.000 0.542 211 G N -2.540 106.284 108.800 0.041 0.000 2.212 211 G HA2 -0.348 3.613 3.960 0.001 0.000 0.266 211 G HA3 -0.348 3.613 3.960 0.001 0.000 0.266 211 G C 0.234 175.148 174.900 0.024 0.000 0.978 211 G CA 0.737 45.851 45.100 0.024 0.000 0.632 211 G HN 0.562 nan 8.290 nan 0.000 0.537 212 T N 4.341 118.927 114.554 0.054 0.000 2.738 212 T HA 0.541 4.891 4.350 0.001 0.000 0.298 212 T C -2.068 172.685 174.700 0.088 0.000 0.962 212 T CA -0.741 61.394 62.100 0.059 0.000 0.972 212 T CB 2.393 71.305 68.868 0.074 0.000 0.928 212 T HN 0.256 nan 8.240 nan 0.000 0.474 213 P HA 0.211 nan 4.420 nan 0.000 0.271 213 P C -1.256 176.010 177.300 -0.057 0.000 1.216 213 P CA -0.251 62.783 63.100 -0.109 0.000 0.776 213 P CB 0.443 32.032 31.700 -0.185 0.000 0.881 214 Y N -0.513 119.723 120.300 -0.108 0.000 2.677 214 Y HA 0.719 5.270 4.550 0.001 0.000 0.334 214 Y C -1.660 174.191 175.900 -0.081 0.000 1.154 214 Y CA -1.647 56.412 58.100 -0.067 0.000 1.070 214 Y CB 0.785 39.291 38.460 0.076 0.000 1.294 214 Y HN 0.289 nan 8.280 nan 0.000 0.475 215 W N 2.132 123.683 121.300 0.418 0.000 2.573 215 W HA 0.611 5.271 4.660 0.000 0.000 0.326 215 W C -1.153 175.590 176.519 0.372 0.000 1.049 215 W CA -0.960 56.579 57.345 0.322 0.000 1.220 215 W CB 2.057 31.620 29.460 0.172 0.000 1.373 215 W HN 0.527 nan 8.180 nan 0.000 0.507 216 L N 4.893 126.471 121.223 0.591 0.000 2.260 216 L HA 0.573 4.913 4.340 0.001 0.000 0.289 216 L C -0.688 176.275 176.870 0.156 0.000 1.057 216 L CA -0.345 54.698 54.840 0.339 0.000 0.811 216 L CB 0.213 42.449 42.059 0.295 0.000 1.184 216 L HN 0.193 nan 8.230 nan 0.000 0.429 217 V N 3.948 123.792 119.914 -0.117 0.000 2.715 217 V HA 0.756 4.876 4.120 0.001 0.000 0.310 217 V C 0.507 176.501 176.094 -0.166 0.000 1.054 217 V CA -0.517 61.574 62.300 -0.348 0.000 0.928 217 V CB 1.695 32.849 31.823 -1.114 0.000 1.007 217 V HN 0.855 nan 8.190 nan 0.000 0.437 218 G N 1.694 110.448 108.800 -0.076 0.000 2.415 218 G HA2 0.414 4.374 3.960 0.001 0.000 0.317 218 G HA3 0.414 4.374 3.960 0.001 0.000 0.317 218 G C -0.516 174.292 174.900 -0.154 0.000 1.152 218 G CA -0.340 44.658 45.100 -0.171 0.000 0.956 218 G HN 0.531 nan 8.290 nan 0.000 0.458 219 N N 0.591 119.239 118.700 -0.087 0.000 2.413 219 N HA 0.319 5.059 4.740 0.001 0.000 0.266 219 N C 0.893 176.227 175.510 -0.293 0.000 1.238 219 N CA -0.448 52.502 53.050 -0.167 0.000 0.972 219 N CB 1.414 39.711 38.487 -0.316 0.000 1.210 219 N HN 0.344 nan 8.380 nan 0.000 0.547 220 S N 0.033 115.477 115.700 -0.427 0.000 2.525 220 S HA 0.281 4.752 4.470 0.001 0.000 0.242 220 S C -0.595 173.857 174.600 -0.247 0.000 1.164 220 S CA -0.706 57.307 58.200 -0.312 0.000 1.154 220 S CB -0.538 62.456 63.200 -0.343 0.000 0.875 220 S HN 0.517 nan 8.310 nan 0.000 0.482 221 W N 2.343 123.335 121.300 -0.514 0.000 2.570 221 W HA 0.525 5.186 4.660 0.003 0.000 0.410 221 W C 0.677 177.046 176.519 -0.251 0.000 0.889 221 W CA -1.585 55.240 57.345 -0.866 0.000 2.386 221 W CB -1.423 27.419 29.460 -1.031 0.000 1.228 221 W HN 0.456 nan 8.180 nan 0.000 0.692 222 N N -0.192 118.551 118.700 0.071 0.000 6.584 222 N HA -0.230 4.510 4.740 0.001 0.000 0.411 222 N C 1.115 176.734 175.510 0.182 0.000 0.981 222 N CA 1.877 55.011 53.050 0.139 0.000 1.762 222 N CB -0.651 37.960 38.487 0.206 0.000 0.760 222 N HN 0.122 nan 8.380 nan 0.000 0.447 223 T N -2.470 112.179 114.554 0.157 0.000 3.081 223 T HA 0.022 4.372 4.350 0.001 0.000 0.255 223 T C 0.921 175.732 174.700 0.185 0.000 1.113 223 T CA 1.377 63.574 62.100 0.161 0.000 1.082 223 T CB -0.201 68.741 68.868 0.123 0.000 0.939 223 T HN 0.566 nan 8.240 nan 0.000 0.506 224 D N -0.785 119.735 120.400 0.199 0.000 2.328 224 D HA 0.067 4.707 4.640 0.001 0.000 0.226 224 D C 0.064 176.492 176.300 0.213 0.000 1.066 224 D CA -0.683 53.417 54.000 0.166 0.000 0.861 224 D CB -0.522 40.356 40.800 0.131 0.000 0.912 224 D HN 0.657 nan 8.370 nan 0.000 0.521 225 W N 1.522 122.910 121.300 0.148 0.000 2.496 225 W HA 0.488 5.148 4.660 0.000 0.000 0.327 225 W C 1.077 177.706 176.519 0.184 0.000 1.086 225 W CA 0.731 58.190 57.345 0.190 0.000 1.222 225 W CB 1.205 30.842 29.460 0.296 0.000 1.304 225 W HN 0.231 nan 8.180 nan 0.000 0.547 226 G N 3.649 111.712 108.800 -1.228 0.000 2.594 226 G HA2 -0.383 3.578 3.960 0.001 0.000 0.297 226 G HA3 -0.383 3.578 3.960 0.001 0.000 0.297 226 G C -0.274 174.465 174.900 -0.268 0.000 1.273 226 G CA 0.711 45.199 45.100 -1.019 0.000 0.974 226 G HN 0.748 nan 8.290 nan 0.000 0.552 227 D N 2.130 122.547 120.400 0.028 0.000 2.563 227 D HA 0.323 4.964 4.640 0.001 0.000 0.222 227 D C 0.931 177.381 176.300 0.250 0.000 1.145 227 D CA 0.223 54.300 54.000 0.127 0.000 1.001 227 D CB -1.760 39.167 40.800 0.213 0.000 1.049 227 D HN 0.577 nan 8.370 nan 0.000 0.515 228 N N 1.719 120.532 118.700 0.188 0.000 2.747 228 N HA -0.240 4.501 4.740 0.001 0.000 0.249 228 N C 0.941 176.622 175.510 0.285 0.000 1.107 228 N CA 0.361 53.559 53.050 0.246 0.000 0.707 228 N CB -0.889 37.770 38.487 0.286 0.000 1.054 228 N HN 0.580 nan 8.380 nan 0.000 0.555 229 G N -1.957 107.016 108.800 0.287 0.000 2.241 229 G HA2 -0.330 3.631 3.960 0.001 0.000 0.244 229 G HA3 -0.330 3.631 3.960 0.001 0.000 0.244 229 G C 0.121 175.130 174.900 0.182 0.000 0.998 229 G CA 0.426 45.670 45.100 0.240 0.000 0.621 229 G HN 0.355 nan 8.290 nan 0.000 0.519 230 F N 0.395 120.540 119.950 0.324 0.000 2.457 230 F HA 0.840 5.368 4.527 0.001 0.000 0.330 230 F C 0.462 176.497 175.800 0.391 0.000 1.069 230 F CA -0.537 57.619 58.000 0.260 0.000 1.009 230 F CB 1.195 40.263 39.000 0.113 0.000 1.276 230 F HN 0.280 nan 8.300 nan 0.000 0.492 231 F N -1.606 118.550 119.950 0.343 0.000 2.713 231 F HA 0.691 5.219 4.527 0.003 0.000 0.311 231 F C -1.901 173.921 175.800 0.037 0.000 1.141 231 F CA -1.540 56.460 58.000 -0.001 0.000 0.939 231 F CB 1.397 40.085 39.000 -0.520 0.000 1.325 231 F HN 0.244 nan 8.300 nan 0.000 0.453 232 K N 2.523 123.028 120.400 0.175 0.000 2.207 232 K HA 0.712 5.033 4.320 0.001 0.000 0.255 232 K C -1.607 175.218 176.600 0.375 0.000 0.941 232 K CA -1.021 55.346 56.287 0.133 0.000 0.825 232 K CB 2.574 34.955 32.500 -0.199 0.000 1.119 232 K HN 0.656 nan 8.250 nan 0.000 0.430 233 I N 3.271 124.093 120.570 0.421 0.000 2.686 233 I HA 0.220 4.391 4.170 0.001 0.000 0.295 233 I C -1.127 175.218 176.117 0.380 0.000 1.114 233 I CA -1.317 60.269 61.300 0.477 0.000 1.038 233 I CB 1.919 40.213 38.000 0.490 0.000 1.238 233 I HN 0.564 nan 8.210 nan 0.000 0.420 234 L N 7.473 128.831 121.223 0.225 0.000 2.640 234 L HA 0.087 4.427 4.340 0.001 0.000 0.280 234 L C 0.091 177.050 176.870 0.148 0.000 1.229 234 L CA 0.909 55.801 54.840 0.087 0.000 0.919 234 L CB -0.028 41.927 42.059 -0.174 0.000 1.168 234 L HN 0.752 nan 8.230 nan 0.000 0.496 235 R N 3.756 124.234 120.500 -0.037 0.000 2.664 235 R HA 0.670 5.011 4.340 0.001 0.000 0.286 235 R C 0.635 176.846 176.300 -0.149 0.000 0.967 235 R CA 0.100 56.045 56.100 -0.258 0.000 0.933 235 R CB 1.280 30.961 30.300 -1.031 0.000 1.146 235 R HN 0.890 nan 8.270 nan 0.000 0.468 236 G N 1.844 110.624 108.800 -0.032 0.000 2.195 236 G HA2 -0.241 3.720 3.960 0.001 0.000 0.224 236 G HA3 -0.241 3.720 3.960 0.001 0.000 0.224 236 G C 0.188 175.120 174.900 0.054 0.000 0.990 236 G CA 0.302 45.390 45.100 -0.020 0.000 0.639 236 G HN 0.593 nan 8.290 nan 0.000 0.514 237 Q N -0.163 119.706 119.800 0.116 0.000 2.089 237 Q HA 0.340 4.680 4.340 0.001 0.000 0.248 237 Q C 0.314 176.421 176.000 0.177 0.000 0.828 237 Q CA 0.101 55.980 55.803 0.126 0.000 1.102 237 Q CB 0.904 29.712 28.738 0.115 0.000 1.221 237 Q HN 0.307 nan 8.270 nan 0.000 0.455 238 D N 1.648 122.171 120.400 0.206 0.000 2.702 238 D HA -0.257 4.383 4.640 0.001 0.000 0.233 238 D C -0.435 176.002 176.300 0.228 0.000 1.164 238 D CA 0.650 54.774 54.000 0.206 0.000 0.638 238 D CB -0.891 39.992 40.800 0.139 0.000 1.041 238 D HN 0.480 nan 8.370 nan 0.000 0.422 239 H N 0.043 119.227 119.070 0.190 0.000 3.107 239 H HA 0.099 4.656 4.556 0.001 0.000 0.301 239 H C 1.175 176.655 175.328 0.254 0.000 0.981 239 H CA 1.244 57.413 56.048 0.203 0.000 1.443 239 H CB 0.178 30.057 29.762 0.196 0.000 1.479 239 H HN 0.486 nan 8.280 nan 0.000 0.564 240 C N 3.230 122.458 119.300 -0.121 0.000 4.297 240 C HA -0.211 4.250 4.460 0.001 0.000 0.290 240 C C 1.628 176.727 174.990 0.182 0.000 1.444 240 C CA 1.073 60.145 59.018 0.089 0.000 1.982 240 C CB -2.331 25.575 27.740 0.276 0.000 1.276 240 C HN 1.252 nan 8.230 nan 0.000 0.797 241 G N -0.324 108.566 108.800 0.150 0.000 2.160 241 G HA2 -0.325 3.635 3.960 0.001 0.000 0.251 241 G HA3 -0.325 3.635 3.960 0.001 0.000 0.251 241 G C 0.592 175.588 174.900 0.159 0.000 1.008 241 G CA 0.311 45.494 45.100 0.138 0.000 0.724 241 G HN 0.804 nan 8.290 nan 0.000 0.514 242 I N 0.033 120.721 120.570 0.197 0.000 2.423 242 I HA -0.054 4.116 4.170 0.001 0.000 0.254 242 I C 1.823 177.950 176.117 0.017 0.000 1.151 242 I CA 2.197 63.578 61.300 0.135 0.000 1.421 242 I CB -0.160 37.924 38.000 0.140 0.000 1.079 242 I HN 0.505 nan 8.210 nan 0.000 0.431 243 E N -0.758 119.488 120.200 0.077 0.000 2.481 243 E HA 0.012 4.362 4.350 0.001 0.000 0.198 243 E C 1.749 178.363 176.600 0.025 0.000 1.027 243 E CA 0.389 56.805 56.400 0.027 0.000 0.900 243 E CB 0.267 30.059 29.700 0.153 0.000 0.993 243 E HN 0.421 nan 8.360 nan 0.000 0.482 244 S N 0.161 115.887 115.700 0.043 0.000 2.558 244 S HA 0.031 4.501 4.470 0.001 0.000 0.217 244 S C 1.017 175.629 174.600 0.020 0.000 0.975 244 S CA 0.068 58.291 58.200 0.037 0.000 0.912 244 S CB 0.293 63.524 63.200 0.053 0.000 0.776 244 S HN 0.142 nan 8.310 nan 0.000 0.526 245 E N 0.661 120.866 120.200 0.008 0.000 4.230 245 E HA 0.265 4.615 4.350 0.001 0.000 0.216 245 E C -1.428 175.156 176.600 -0.027 0.000 1.132 245 E CA -0.349 56.054 56.400 0.004 0.000 1.404 245 E CB 0.322 30.041 29.700 0.032 0.000 1.183 245 E HN 0.358 nan 8.360 nan 0.000 0.431 246 I N 1.945 122.479 120.570 -0.061 0.000 2.396 246 I HA 0.094 4.264 4.170 0.001 0.000 0.289 246 I C 0.255 176.285 176.117 -0.145 0.000 1.056 246 I CA -0.388 60.846 61.300 -0.110 0.000 1.365 246 I CB 0.974 38.898 38.000 -0.127 0.000 1.407 246 I HN 0.017 nan 8.210 nan 0.000 0.509 247 V N 3.390 123.154 119.914 -0.249 0.000 2.914 247 V HA 1.078 5.198 4.120 0.001 0.000 0.314 247 V C -0.330 175.175 176.094 -0.982 0.000 1.084 247 V CA -0.479 61.532 62.300 -0.482 0.000 0.963 247 V CB 1.443 33.019 31.823 -0.412 0.000 1.025 247 V HN 0.975 nan 8.190 nan 0.000 0.432 248 A N 1.714 123.682 122.820 -1.420 0.000 2.594 248 A HA 1.089 5.409 4.320 0.001 0.000 0.307 248 A C -0.074 176.418 177.584 -1.820 0.000 1.203 248 A CA -0.288 50.545 52.037 -2.007 0.000 0.644 248 A CB 0.999 19.429 19.000 -0.950 0.000 1.349 248 A HN 2.602 nan 8.150 nan 0.000 0.510 249 G N -1.301 106.903 108.800 -0.994 0.000 2.451 249 G HA2 0.583 4.543 3.960 0.001 0.000 0.292 249 G HA3 0.583 4.543 3.960 0.001 0.000 0.292 249 G C -1.690 173.416 174.900 0.344 0.000 1.427 249 G CA -0.600 44.396 45.100 -0.172 0.000 0.792 249 G HN 0.630 nan 8.290 nan 0.000 0.498 250 M N 1.547 121.338 119.600 0.319 0.000 2.383 250 M HA 0.449 4.929 4.480 0.001 0.000 0.325 250 M C -2.513 173.832 176.300 0.074 0.000 1.092 250 M CA -2.637 52.782 55.300 0.198 0.000 0.961 250 M CB 1.803 34.450 32.600 0.080 0.000 1.672 250 M HN 0.340 nan 8.290 nan 0.000 0.438 251 P HA 0.220 nan 4.420 nan 0.000 0.276 251 P C -0.543 176.741 177.300 -0.026 0.000 1.244 251 P CA -0.380 62.763 63.100 0.071 0.000 0.801 251 P CB 0.644 32.562 31.700 0.364 0.000 1.006 252 c N 1.919 120.472 118.600 -0.077 0.000 2.662 252 c HA 0.283 4.853 4.570 0.001 0.000 0.420 252 c C 1.424 175.523 174.090 0.015 0.000 1.314 252 c CA 1.091 57.391 56.329 -0.048 0.000 1.963 252 c CB -1.111 41.359 42.510 -0.067 0.000 2.686 252 c HN 1.016 nan 8.230 nan 0.000 0.609 253 T N 0.000 114.559 114.554 0.008 0.000 3.816 253 T HA 0.000 4.350 4.350 0.001 0.000 0.228 253 T CA 0.000 62.117 62.100 0.028 0.000 1.349 253 T CB 0.000 68.881 68.868 0.022 0.000 0.612 253 T HN 0.000 nan 8.240 nan 0.000 0.658