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 3e59_1_C DATA FIRST_RESID 8 DATA SEQUENCE TLPARVLKEL LLYRRRYXXX XXXXXEADEI RRIEQVQLPR IAAFIEAGEP DATA SEQUENCE IEFVLPAFPA KSPNPGKVLD SRPDMAERLS LSFLNHLCQR IQLFYAPGAK DATA SEQUENCE ITVCSDGRVF GDLVRIGDAH ISAYQDALRL MIEEIGATHI GVFNLEDVRA DATA SEQUENCE FEAQRDNHEQ LRQLLIGGYA EPLESIRETL LASEEGLLLY RAITRFLYED DATA SEQUENCE GLTPDYQGSK TALQRDAKER AYGVIQRSWA WGALLADQFP RAIRLSIHPQ DATA SEQUENCE PADSLKFGIH MMPTRDDWLT PWHGVAVNTE DRFVLMKRSE VLELGGELVQ DATA SEQUENCE INGQPSHYRL P 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 8 T HA 0.000 nan 4.350 nan 0.000 0.228 8 T C 0.000 174.654 174.700 -0.076 0.000 1.109 8 T CA 0.000 62.069 62.100 -0.051 0.000 1.349 8 T CB 0.000 68.838 68.868 -0.051 0.000 0.612 9 L N 2.548 123.741 121.223 -0.049 0.000 2.027 9 L HA 0.288 4.632 4.340 0.006 0.000 0.206 9 L C -1.123 175.736 176.870 -0.019 0.000 1.074 9 L CA 2.216 57.037 54.840 -0.031 0.000 0.745 9 L CB -1.103 40.976 42.059 0.033 0.000 0.898 9 L HN 0.241 nan 8.230 nan 0.000 0.433 10 P HA -0.157 nan 4.420 nan 0.000 0.215 10 P C 1.522 178.813 177.300 -0.014 0.000 1.153 10 P CA 1.912 64.994 63.100 -0.029 0.000 0.853 10 P CB -0.140 31.536 31.700 -0.039 0.000 0.788 11 A N -0.170 122.631 122.820 -0.031 0.000 1.933 11 A HA -0.220 4.103 4.320 0.006 0.000 0.218 11 A C 2.313 179.867 177.584 -0.050 0.000 1.175 11 A CA 1.442 53.460 52.037 -0.032 0.000 0.628 11 A CB -1.029 17.947 19.000 -0.039 0.000 0.814 11 A HN 0.047 nan 8.150 nan 0.000 0.444 12 R N -0.713 119.717 120.500 -0.116 0.000 2.075 12 R HA -0.078 4.265 4.340 0.006 0.000 0.232 12 R C 2.058 178.358 176.300 -0.000 0.000 1.126 12 R CA 1.471 57.425 56.100 -0.244 0.000 0.963 12 R CB -0.505 29.364 30.300 -0.718 0.000 0.858 12 R HN 0.425 nan 8.270 nan 0.000 0.435 13 V N 1.343 121.362 119.914 0.175 0.000 2.343 13 V HA -0.229 3.895 4.120 0.006 0.000 0.247 13 V C 2.198 178.382 176.094 0.150 0.000 1.051 13 V CA 1.391 63.866 62.300 0.290 0.000 1.036 13 V CB -0.416 31.530 31.823 0.206 0.000 0.654 13 V HN 0.241 nan 8.190 nan 0.000 0.451 14 L N 0.042 121.304 121.223 0.066 0.000 2.141 14 L HA -0.106 4.237 4.340 0.006 0.000 0.209 14 L C 2.341 179.239 176.870 0.048 0.000 1.094 14 L CA 1.825 56.675 54.840 0.017 0.000 0.763 14 L CB -0.695 41.369 42.059 0.007 0.000 0.908 14 L HN 0.220 nan 8.230 nan 0.000 0.437 15 K N -0.554 119.878 120.400 0.054 0.000 2.032 15 K HA -0.179 4.144 4.320 0.006 0.000 0.209 15 K C 1.948 178.598 176.600 0.084 0.000 1.048 15 K CA 1.554 57.874 56.287 0.055 0.000 0.927 15 K CB -0.241 32.268 32.500 0.015 0.000 0.712 15 K HN 0.297 nan 8.250 nan 0.000 0.441 16 E N 1.027 121.304 120.200 0.128 0.000 2.097 16 E HA -0.193 4.161 4.350 0.006 0.000 0.196 16 E C 2.119 178.830 176.600 0.184 0.000 1.000 16 E CA 1.183 57.683 56.400 0.167 0.000 0.804 16 E CB -0.262 29.566 29.700 0.213 0.000 0.740 16 E HN 0.343 nan 8.360 nan 0.000 0.454 17 L N 0.082 121.381 121.223 0.127 0.000 2.072 17 L HA -0.112 4.231 4.340 0.006 0.000 0.205 17 L C 2.623 179.717 176.870 0.373 0.000 1.079 17 L CA 0.635 55.554 54.840 0.132 0.000 0.752 17 L CB -0.453 41.435 42.059 -0.285 0.000 0.906 17 L HN 0.067 nan 8.230 nan 0.000 0.436 18 L N -0.292 121.120 121.223 0.315 0.000 2.191 18 L HA -0.207 4.137 4.340 0.006 0.000 0.212 18 L C 2.461 179.444 176.870 0.188 0.000 1.103 18 L CA 0.878 55.941 54.840 0.372 0.000 0.769 18 L CB -0.371 41.830 42.059 0.238 0.000 0.908 18 L HN 0.280 nan 8.230 nan 0.000 0.438 19 L N -1.461 119.778 121.223 0.027 0.000 2.187 19 L HA -0.231 4.113 4.340 0.006 0.000 0.213 19 L C 1.258 177.932 176.870 -0.328 0.000 1.100 19 L CA 1.306 55.995 54.840 -0.253 0.000 0.765 19 L CB -0.261 41.465 42.059 -0.555 0.000 0.904 19 L HN 0.319 nan 8.230 nan 0.000 0.437 20 Y N -1.688 118.776 120.300 0.275 0.000 2.612 20 Y HA 0.249 4.802 4.550 0.006 0.000 0.250 20 Y C 0.981 177.097 175.900 0.359 0.000 1.175 20 Y CA -0.845 57.451 58.100 0.326 0.000 1.205 20 Y CB 0.023 38.737 38.460 0.423 0.000 1.201 20 Y HN -0.024 nan 8.280 nan 0.000 0.532 21 R N 2.089 122.811 120.500 0.370 0.000 2.442 21 R HA 0.187 4.531 4.340 0.006 0.000 0.291 21 R C -0.099 176.249 176.300 0.080 0.000 1.069 21 R CA -0.292 55.861 56.100 0.089 0.000 1.022 21 R CB 0.509 30.757 30.300 -0.086 0.000 0.976 21 R HN 0.168 nan 8.270 nan 0.000 0.443 22 R N 2.244 122.685 120.500 -0.100 0.000 2.401 22 R HA 0.063 4.407 4.340 0.006 0.000 0.299 22 R C 0.253 176.570 176.300 0.028 0.000 1.064 22 R CA 0.008 56.033 56.100 -0.125 0.000 1.000 22 R CB 0.393 30.563 30.300 -0.217 0.000 0.973 22 R HN 0.612 nan 8.270 nan 0.000 0.438 23 R N 3.122 123.704 120.500 0.138 0.000 2.491 23 R HA 0.042 4.385 4.340 0.006 0.000 0.283 23 R C -0.569 175.835 176.300 0.173 0.000 1.072 23 R CA 0.101 56.291 56.100 0.150 0.000 1.048 23 R CB -0.024 30.375 30.300 0.165 0.000 0.983 23 R HN 0.754 nan 8.270 nan 0.000 0.450 34 A N -0.555 122.285 122.820 0.033 0.000 2.208 34 A HA 0.401 4.725 4.320 0.006 0.000 0.209 34 A C 1.912 179.517 177.584 0.035 0.000 1.161 34 A CA 1.823 53.881 52.037 0.034 0.000 0.782 34 A CB -0.573 18.443 19.000 0.027 0.000 0.816 34 A HN 0.988 nan 8.150 nan 0.000 0.477 35 D N 0.120 120.541 120.400 0.034 0.000 2.183 35 D HA -0.126 4.517 4.640 0.006 0.000 0.203 35 D C 1.767 178.090 176.300 0.039 0.000 0.969 35 D CA 1.166 55.186 54.000 0.033 0.000 0.842 35 D CB -0.371 40.447 40.800 0.030 0.000 0.957 35 D HN 0.514 nan 8.370 nan 0.000 0.484 36 E N 0.194 120.422 120.200 0.046 0.000 2.038 36 E HA -0.119 4.234 4.350 0.006 0.000 0.195 36 E C 2.456 179.093 176.600 0.060 0.000 1.000 36 E CA 0.720 57.151 56.400 0.052 0.000 0.803 36 E CB -0.306 29.430 29.700 0.059 0.000 0.750 36 E HN 0.645 nan 8.360 nan 0.000 0.448 37 I N 0.862 121.471 120.570 0.065 0.000 2.208 37 I HA -0.331 3.842 4.170 0.006 0.000 0.245 37 I C 3.063 179.219 176.117 0.066 0.000 1.097 37 I CA 1.754 63.101 61.300 0.077 0.000 1.363 37 I CB -0.606 37.436 38.000 0.069 0.000 1.051 37 I HN 0.073 nan 8.210 nan 0.000 0.413 38 R N 1.064 121.593 120.500 0.048 0.000 2.096 38 R HA -0.209 4.134 4.340 0.006 0.000 0.240 38 R C 2.549 178.872 176.300 0.039 0.000 1.139 38 R CA 2.374 58.497 56.100 0.038 0.000 0.952 38 R CB -2.026 28.292 30.300 0.029 0.000 0.854 38 R HN 0.515 nan 8.270 nan 0.000 0.436 39 R N 0.728 121.253 120.500 0.041 0.000 2.081 39 R HA 0.125 4.468 4.340 0.006 0.000 0.235 39 R C 2.549 178.880 176.300 0.052 0.000 1.131 39 R CA 1.756 57.878 56.100 0.038 0.000 0.960 39 R CB -1.078 29.240 30.300 0.030 0.000 0.856 39 R HN 0.684 nan 8.270 nan 0.000 0.436 40 I N 1.533 122.150 120.570 0.079 0.000 2.252 40 I HA -0.250 3.923 4.170 0.006 0.000 0.245 40 I C 2.733 178.912 176.117 0.103 0.000 1.102 40 I CA 1.856 63.231 61.300 0.125 0.000 1.385 40 I CB -0.316 37.808 38.000 0.207 0.000 1.064 40 I HN 0.610 nan 8.210 nan 0.000 0.414 41 E N 1.091 121.338 120.200 0.078 0.000 2.153 41 E HA -0.265 4.089 4.350 0.006 0.000 0.194 41 E C 2.245 178.864 176.600 0.031 0.000 0.988 41 E CA 1.322 57.752 56.400 0.049 0.000 0.811 41 E CB -0.556 29.167 29.700 0.038 0.000 0.746 41 E HN 0.630 nan 8.360 nan 0.000 0.466 42 Q N 1.623 121.441 119.800 0.030 0.000 2.084 42 Q HA -0.075 4.269 4.340 0.006 0.000 0.202 42 Q C 2.401 178.410 176.000 0.016 0.000 0.978 42 Q CA 2.079 57.893 55.803 0.018 0.000 0.844 42 Q CB -1.036 27.712 28.738 0.017 0.000 0.898 42 Q HN 0.275 nan 8.270 nan 0.000 0.426 43 V N 0.388 120.320 119.914 0.030 0.000 2.346 43 V HA -0.193 3.931 4.120 0.006 0.000 0.244 43 V C 2.482 178.591 176.094 0.026 0.000 1.037 43 V CA 1.662 63.980 62.300 0.029 0.000 1.029 43 V CB -0.126 31.726 31.823 0.047 0.000 0.663 43 V HN 0.662 nan 8.190 nan 0.000 0.454 44 Q N -0.662 119.161 119.800 0.038 0.000 2.297 44 Q HA 0.167 4.511 4.340 0.006 0.000 0.203 44 Q C 2.282 178.276 176.000 -0.009 0.000 0.931 44 Q CA 0.711 56.525 55.803 0.019 0.000 0.885 44 Q CB -0.082 28.673 28.738 0.028 0.000 0.991 44 Q HN 0.487 nan 8.270 nan 0.000 0.498 45 L N 1.769 122.990 121.223 -0.004 0.000 1.990 45 L HA -0.172 4.171 4.340 0.006 0.000 0.213 45 L C -0.402 176.449 176.870 -0.032 0.000 1.072 45 L CA 1.679 56.509 54.840 -0.016 0.000 0.755 45 L CB -1.902 40.152 42.059 -0.009 0.000 0.889 45 L HN 0.158 nan 8.230 nan 0.000 0.432 46 P HA -0.151 nan 4.420 nan 0.000 0.220 46 P C 1.326 178.577 177.300 -0.082 0.000 1.148 46 P CA 1.376 64.444 63.100 -0.054 0.000 0.803 46 P CB -0.119 31.553 31.700 -0.047 0.000 0.782 47 R N -0.458 120.000 120.500 -0.071 0.000 2.073 47 R HA 0.053 4.396 4.340 0.006 0.000 0.229 47 R C 2.599 178.860 176.300 -0.066 0.000 1.120 47 R CA 0.991 57.036 56.100 -0.092 0.000 0.967 47 R CB -0.745 29.524 30.300 -0.051 0.000 0.862 47 R HN 0.209 nan 8.270 nan 0.000 0.436 48 I N 0.829 121.382 120.570 -0.028 0.000 2.226 48 I HA -0.255 3.918 4.170 0.006 0.000 0.245 48 I C 2.616 178.725 176.117 -0.013 0.000 1.100 48 I CA 1.248 62.552 61.300 0.006 0.000 1.374 48 I CB -0.421 37.555 38.000 -0.040 0.000 1.057 48 I HN 0.185 nan 8.210 nan 0.000 0.413 49 A N 0.870 123.654 122.820 -0.061 0.000 1.908 49 A HA -0.201 4.123 4.320 0.006 0.000 0.218 49 A C 2.568 180.092 177.584 -0.100 0.000 1.181 49 A CA 1.886 53.878 52.037 -0.075 0.000 0.627 49 A CB -0.889 18.073 19.000 -0.064 0.000 0.818 49 A HN 0.438 nan 8.150 nan 0.000 0.445 50 A N -1.141 121.574 122.820 -0.176 0.000 1.986 50 A HA -0.067 4.257 4.320 0.006 0.000 0.220 50 A C 1.907 179.312 177.584 -0.297 0.000 1.171 50 A CA 1.731 53.600 52.037 -0.280 0.000 0.640 50 A CB -0.731 18.012 19.000 -0.427 0.000 0.811 50 A HN 0.502 nan 8.150 nan 0.000 0.451 51 F N -0.413 119.478 119.950 -0.097 0.000 2.187 51 F HA 0.065 4.595 4.527 0.006 0.000 0.295 51 F C 2.135 177.916 175.800 -0.031 0.000 1.091 51 F CA 0.838 58.798 58.000 -0.068 0.000 1.308 51 F CB -0.393 38.545 39.000 -0.103 0.000 1.030 51 F HN 0.093 nan 8.300 nan 0.000 0.487 52 I N 0.029 120.619 120.570 0.035 0.000 2.252 52 I HA -0.205 3.969 4.170 0.006 0.000 0.245 52 I C 2.178 178.344 176.117 0.083 0.000 1.102 52 I CA 1.073 62.338 61.300 -0.058 0.000 1.385 52 I CB -0.433 37.410 38.000 -0.262 0.000 1.064 52 I HN 0.091 nan 8.210 nan 0.000 0.414 53 E N 1.220 121.436 120.200 0.027 0.000 2.153 53 E HA -0.154 4.199 4.350 0.006 0.000 0.194 53 E C 2.176 178.804 176.600 0.046 0.000 0.988 53 E CA 1.369 57.785 56.400 0.026 0.000 0.811 53 E CB -0.308 29.383 29.700 -0.015 0.000 0.746 53 E HN 0.500 nan 8.360 nan 0.000 0.466 54 A N 0.254 123.107 122.820 0.055 0.000 2.208 54 A HA 0.277 4.600 4.320 0.006 0.000 0.209 54 A C 1.782 179.431 177.584 0.107 0.000 1.161 54 A CA 0.995 53.069 52.037 0.062 0.000 0.782 54 A CB -0.366 18.662 19.000 0.046 0.000 0.816 54 A HN 0.277 nan 8.150 nan 0.000 0.477 55 G N -0.455 108.447 108.800 0.171 0.000 2.168 55 G HA2 -0.265 3.698 3.960 0.006 0.000 0.257 55 G HA3 -0.265 3.698 3.960 0.006 0.000 0.257 55 G C -0.089 174.921 174.900 0.185 0.000 0.997 55 G CA 0.634 45.846 45.100 0.188 0.000 0.708 55 G HN 0.657 nan 8.290 nan 0.000 0.520 56 E N 0.452 120.809 120.200 0.262 0.000 2.250 56 E HA 0.446 4.799 4.350 0.006 0.000 0.269 56 E C -2.389 174.374 176.600 0.271 0.000 1.018 56 E CA -2.269 54.264 56.400 0.222 0.000 0.873 56 E CB 1.087 30.945 29.700 0.262 0.000 1.134 56 E HN 0.088 nan 8.360 nan 0.000 0.403 57 P HA -0.027 nan 4.420 nan 0.000 0.266 57 P C -0.688 176.506 177.300 -0.176 0.000 1.195 57 P CA 0.430 63.557 63.100 0.044 0.000 0.768 57 P CB 0.299 31.974 31.700 -0.041 0.000 0.838 58 I N 2.670 123.101 120.570 -0.233 0.000 2.436 58 I HA 0.066 4.239 4.170 0.006 0.000 0.289 58 I C 0.952 176.540 176.117 -0.882 0.000 1.083 58 I CA 0.255 61.094 61.300 -0.768 0.000 1.372 58 I CB -0.021 37.743 38.000 -0.393 0.000 1.408 58 I HN 0.232 nan 8.210 nan 0.000 0.516 59 E N 6.165 125.461 120.200 -1.507 0.000 2.227 59 E HA 0.475 4.829 4.350 0.006 0.000 0.282 59 E C -1.176 174.996 176.600 -0.713 0.000 1.015 59 E CA -0.388 55.531 56.400 -0.803 0.000 0.823 59 E CB 1.215 30.554 29.700 -0.601 0.000 1.081 59 E HN 0.297 nan 8.360 nan 0.000 0.396 60 F N 1.258 121.035 119.950 -0.288 0.000 2.561 60 F HA 0.445 4.976 4.527 0.006 0.000 0.321 60 F C -0.083 175.592 175.800 -0.209 0.000 1.065 60 F CA -1.115 56.772 58.000 -0.188 0.000 0.934 60 F CB 1.564 40.475 39.000 -0.148 0.000 1.215 60 F HN 0.158 nan 8.300 nan 0.000 0.471 61 V N 1.362 121.296 119.914 0.033 0.000 2.735 61 V HA 0.871 4.995 4.120 0.006 0.000 0.310 61 V C -1.624 174.504 176.094 0.057 0.000 1.061 61 V CA -0.946 61.313 62.300 -0.067 0.000 0.913 61 V CB 1.894 33.604 31.823 -0.189 0.000 1.005 61 V HN 0.683 nan 8.190 nan 0.000 0.428 62 L N 5.134 126.399 121.223 0.070 0.000 2.555 62 L HA 0.730 5.073 4.340 0.006 0.000 0.264 62 L C -2.978 174.000 176.870 0.179 0.000 0.972 62 L CA -1.632 53.292 54.840 0.140 0.000 0.876 62 L CB 2.222 44.370 42.059 0.149 0.000 1.216 62 L HN 0.537 nan 8.230 nan 0.000 0.415 63 P HA 0.574 nan 4.420 nan 0.000 0.275 63 P C -0.882 176.533 177.300 0.192 0.000 1.276 63 P CA 0.095 63.374 63.100 0.299 0.000 0.782 63 P CB 1.012 32.947 31.700 0.392 0.000 0.851 64 A N 2.788 125.648 122.820 0.066 0.000 2.511 64 A HA 0.641 4.965 4.320 0.006 0.000 0.293 64 A C -1.038 176.216 177.584 -0.550 0.000 1.098 64 A CA -0.737 51.099 52.037 -0.335 0.000 0.643 64 A CB -0.051 18.840 19.000 -0.182 0.000 1.302 64 A HN 0.243 nan 8.150 nan 0.000 0.446 65 F N -1.585 117.449 119.950 -1.527 0.000 2.866 65 F HA -0.180 4.350 4.527 0.006 0.000 0.254 65 F C -1.350 174.074 175.800 -0.627 0.000 1.009 65 F CA 0.891 58.295 58.000 -0.993 0.000 0.907 65 F CB -1.383 37.484 39.000 -0.221 0.000 0.859 65 F HN 0.500 nan 8.300 nan 0.000 0.842 66 P HA 0.143 nan 4.420 nan 0.000 0.216 66 P C 0.475 177.446 177.300 -0.547 0.000 1.153 66 P CA 2.182 65.017 63.100 -0.442 0.000 0.844 66 P CB 0.461 31.984 31.700 -0.295 0.000 0.787 67 A N -2.508 119.725 122.820 -0.978 0.000 2.519 67 A HA 0.343 4.666 4.320 0.006 0.000 0.298 67 A C -1.204 175.872 177.584 -0.847 0.000 0.963 67 A CA -0.846 50.360 52.037 -1.386 0.000 0.624 67 A CB 0.118 18.786 19.000 -0.553 0.000 1.356 67 A HN -0.225 nan 8.150 nan 0.000 0.441 68 K N 0.941 120.989 120.400 -0.587 0.000 2.258 68 K HA 0.344 4.667 4.320 0.006 0.000 0.264 68 K C 0.821 177.387 176.600 -0.057 0.000 1.007 68 K CA 0.139 56.353 56.287 -0.122 0.000 0.941 68 K CB 1.154 33.668 32.500 0.024 0.000 0.966 68 K HN 0.887 nan 8.250 nan 0.000 0.480 69 S N 3.006 118.746 115.700 0.065 0.000 2.563 69 S HA 0.011 4.484 4.470 0.006 0.000 0.294 69 S C -1.221 173.377 174.600 -0.002 0.000 1.279 69 S CA -1.006 57.245 58.200 0.086 0.000 1.069 69 S CB 0.337 63.611 63.200 0.124 0.000 0.828 69 S HN 0.332 nan 8.310 nan 0.000 0.497 70 P HA -0.071 nan 4.420 nan 0.000 0.228 70 P C 0.041 177.324 177.300 -0.028 0.000 1.151 70 P CA 0.476 63.556 63.100 -0.033 0.000 0.770 70 P CB -0.232 31.458 31.700 -0.017 0.000 0.786 71 N N 1.214 119.894 118.700 -0.034 0.000 2.401 71 N HA 0.086 4.830 4.740 0.006 0.000 0.255 71 N C -1.720 173.778 175.510 -0.019 0.000 1.110 71 N CA -2.206 50.819 53.050 -0.041 0.000 0.949 71 N CB 0.725 39.164 38.487 -0.080 0.000 1.110 71 N HN -0.099 nan 8.380 nan 0.000 0.490 72 P HA 0.028 nan 4.420 nan 0.000 0.225 72 P C 1.032 178.339 177.300 0.012 0.000 1.148 72 P CA 0.651 63.758 63.100 0.011 0.000 0.779 72 P CB 0.173 31.884 31.700 0.018 0.000 0.780 73 G N -0.391 108.404 108.800 -0.009 0.000 2.534 73 G HA2 -0.151 3.813 3.960 0.006 0.000 0.217 73 G HA3 -0.151 3.813 3.960 0.006 0.000 0.217 73 G C 1.486 176.373 174.900 -0.021 0.000 1.128 73 G CA 0.434 45.523 45.100 -0.018 0.000 0.784 73 G HN 0.272 nan 8.290 nan 0.000 0.542 74 K N -0.651 119.740 120.400 -0.016 0.000 2.190 74 K HA 0.220 4.543 4.320 0.006 0.000 0.202 74 K C 0.821 177.440 176.600 0.031 0.000 1.045 74 K CA 0.527 56.809 56.287 -0.008 0.000 0.976 74 K CB 0.462 32.946 32.500 -0.027 0.000 0.849 74 K HN 0.277 nan 8.250 nan 0.000 0.468 75 V N -1.621 118.320 119.914 0.046 0.000 2.919 75 V HA 0.254 4.377 4.120 0.006 0.000 0.316 75 V C 1.043 177.195 176.094 0.097 0.000 1.077 75 V CA -0.858 61.490 62.300 0.079 0.000 0.977 75 V CB 1.663 33.529 31.823 0.071 0.000 1.039 75 V HN 0.064 nan 8.190 nan 0.000 0.441 76 L N 0.122 121.418 121.223 0.123 0.000 2.093 76 L HA 0.174 4.517 4.340 0.006 0.000 0.208 76 L C 0.827 177.736 176.870 0.066 0.000 1.085 76 L CA 2.040 56.947 54.840 0.111 0.000 0.755 76 L CB 0.001 42.110 42.059 0.083 0.000 0.904 76 L HN 1.003 nan 8.230 nan 0.000 0.435 77 D N -3.549 116.886 120.400 0.058 0.000 2.769 77 D HA 0.035 4.679 4.640 0.006 0.000 0.309 77 D C 0.314 176.633 176.300 0.032 0.000 1.315 77 D CA 0.294 54.316 54.000 0.036 0.000 0.780 77 D CB 0.839 41.660 40.800 0.036 0.000 1.312 77 D HN -0.154 nan 8.370 nan 0.000 0.437 78 S N -0.367 115.329 115.700 -0.007 0.000 2.562 78 S HA 0.176 4.649 4.470 0.006 0.000 0.221 78 S C 0.836 175.507 174.600 0.119 0.000 0.975 78 S CA 0.061 58.236 58.200 -0.041 0.000 0.918 78 S CB -0.015 63.021 63.200 -0.274 0.000 0.772 78 S HN 0.287 nan 8.310 nan 0.000 0.531 79 R N 2.504 123.072 120.500 0.113 0.000 2.490 79 R HA 0.384 4.727 4.340 0.006 0.000 0.278 79 R C -2.660 173.726 176.300 0.142 0.000 1.069 79 R CA -2.208 53.959 56.100 0.112 0.000 1.080 79 R CB 0.177 30.502 30.300 0.042 0.000 1.030 79 R HN 0.228 nan 8.270 nan 0.000 0.491 80 P HA -0.006 nan 4.420 nan 0.000 0.271 80 P C -1.297 176.017 177.300 0.023 0.000 1.216 80 P CA 0.028 63.135 63.100 0.012 0.000 0.776 80 P CB 0.901 32.421 31.700 -0.300 0.000 0.881 81 D N 2.007 122.450 120.400 0.072 0.000 2.898 81 D HA 0.236 4.880 4.640 0.006 0.000 0.266 81 D C 1.206 177.526 176.300 0.032 0.000 1.173 81 D CA -0.652 53.377 54.000 0.048 0.000 1.078 81 D CB -0.503 40.338 40.800 0.069 0.000 1.326 81 D HN 0.104 nan 8.370 nan 0.000 0.622 82 M N 0.289 119.908 119.600 0.032 0.000 2.195 82 M HA 0.006 4.489 4.480 0.006 0.000 0.260 82 M C 1.694 177.938 176.300 -0.094 0.000 1.066 82 M CA 1.999 57.262 55.300 -0.061 0.000 1.089 82 M CB -0.928 31.627 32.600 -0.074 0.000 1.377 82 M HN 0.525 nan 8.290 nan 0.000 0.411 83 A N 0.507 123.330 122.820 0.005 0.000 1.851 83 A HA -0.197 4.126 4.320 0.006 0.000 0.216 83 A C 1.928 179.573 177.584 0.102 0.000 1.195 83 A CA 2.061 54.118 52.037 0.032 0.000 0.622 83 A CB -0.980 18.066 19.000 0.076 0.000 0.831 83 A HN 0.676 nan 8.150 nan 0.000 0.444 84 E N 0.061 120.377 120.200 0.192 0.000 2.204 84 E HA -0.203 4.150 4.350 0.006 0.000 0.194 84 E C 2.033 178.690 176.600 0.095 0.000 0.989 84 E CA 1.054 57.638 56.400 0.306 0.000 0.824 84 E CB -0.550 29.401 29.700 0.419 0.000 0.756 84 E HN 0.684 nan 8.360 nan 0.000 0.477 85 R N 0.841 121.341 120.500 0.000 0.000 2.083 85 R HA -0.086 4.258 4.340 0.006 0.000 0.237 85 R C 2.610 178.877 176.300 -0.055 0.000 1.137 85 R CA 1.407 57.470 56.100 -0.061 0.000 0.951 85 R CB -0.235 30.011 30.300 -0.089 0.000 0.851 85 R HN 0.188 nan 8.270 nan 0.000 0.434 86 L N -0.415 120.761 121.223 -0.079 0.000 2.056 86 L HA -0.137 4.207 4.340 0.006 0.000 0.207 86 L C 2.690 179.602 176.870 0.070 0.000 1.078 86 L CA 1.334 56.131 54.840 -0.072 0.000 0.749 86 L CB -0.502 41.433 42.059 -0.207 0.000 0.901 86 L HN 0.254 nan 8.230 nan 0.000 0.433 87 S N 0.257 116.041 115.700 0.140 0.000 2.348 87 S HA -0.153 4.320 4.470 0.006 0.000 0.221 87 S C 2.051 176.814 174.600 0.271 0.000 1.033 87 S CA 1.246 59.624 58.200 0.298 0.000 1.010 87 S CB -0.271 63.178 63.200 0.414 0.000 0.891 87 S HN 0.275 nan 8.310 nan 0.000 0.442 88 L N 1.104 122.409 121.223 0.137 0.000 2.012 88 L HA -0.101 4.243 4.340 0.006 0.000 0.210 88 L C 2.920 179.747 176.870 -0.072 0.000 1.073 88 L CA 1.671 56.480 54.840 -0.050 0.000 0.748 88 L CB -0.756 41.179 42.059 -0.206 0.000 0.891 88 L HN 0.416 nan 8.230 nan 0.000 0.431 89 S N -0.257 115.421 115.700 -0.037 0.000 2.382 89 S HA -0.233 4.241 4.470 0.006 0.000 0.228 89 S C 1.989 176.601 174.600 0.020 0.000 1.027 89 S CA 1.339 59.501 58.200 -0.062 0.000 0.991 89 S CB -0.384 62.804 63.200 -0.020 0.000 0.823 89 S HN 0.440 nan 8.310 nan 0.000 0.469 90 F N 2.189 122.136 119.950 -0.005 0.000 2.113 90 F HA 0.077 4.608 4.527 0.006 0.000 0.297 90 F C 1.714 177.475 175.800 -0.066 0.000 1.103 90 F CA 1.366 59.364 58.000 -0.003 0.000 1.248 90 F CB -0.712 38.247 39.000 -0.069 0.000 0.999 90 F HN 0.199 nan 8.300 nan 0.000 0.475 91 L N 0.647 121.483 121.223 -0.644 0.000 2.042 91 L HA -0.268 4.075 4.340 0.006 0.000 0.210 91 L C 2.619 179.241 176.870 -0.413 0.000 1.076 91 L CA 1.790 56.228 54.840 -0.669 0.000 0.749 91 L CB -1.092 40.776 42.059 -0.319 0.000 0.893 91 L HN 0.373 nan 8.230 nan 0.000 0.432 92 N N -0.596 117.946 118.700 -0.265 0.000 2.104 92 N HA -0.238 4.506 4.740 0.006 0.000 0.190 92 N C 1.921 177.339 175.510 -0.153 0.000 1.024 92 N CA 1.283 54.225 53.050 -0.180 0.000 0.853 92 N CB -0.026 38.338 38.487 -0.204 0.000 1.008 92 N HN 0.431 nan 8.380 nan 0.000 0.424 93 H N 0.475 119.473 119.070 -0.119 0.000 2.421 93 H HA -0.083 4.476 4.556 0.006 0.000 0.298 93 H C 2.012 177.266 175.328 -0.123 0.000 1.087 93 H CA 0.572 56.578 56.048 -0.069 0.000 1.330 93 H CB -0.150 29.613 29.762 0.002 0.000 1.388 93 H HN 0.228 nan 8.280 nan 0.000 0.526 94 L N 0.368 121.498 121.223 -0.154 0.000 2.046 94 L HA -0.156 4.187 4.340 0.006 0.000 0.208 94 L C 2.458 179.195 176.870 -0.221 0.000 1.077 94 L CA 1.372 56.083 54.840 -0.215 0.000 0.747 94 L CB -0.807 40.969 42.059 -0.472 0.000 0.896 94 L HN 0.212 nan 8.230 nan 0.000 0.432 95 C N -1.070 118.063 119.300 -0.279 0.000 2.453 95 C HA -0.136 4.328 4.460 0.006 0.000 0.277 95 C C 2.673 177.412 174.990 -0.419 0.000 1.262 95 C CA 0.595 59.400 59.018 -0.355 0.000 1.718 95 C CB -0.854 26.652 27.740 -0.390 0.000 2.031 95 C HN 0.589 nan 8.230 nan 0.000 0.480 96 Q N 0.318 119.936 119.800 -0.303 0.000 2.112 96 Q HA -0.277 4.067 4.340 0.006 0.000 0.206 96 Q C 2.393 178.310 176.000 -0.138 0.000 0.987 96 Q CA 1.822 57.525 55.803 -0.166 0.000 0.858 96 Q CB -0.224 28.549 28.738 0.057 0.000 0.905 96 Q HN 0.539 nan 8.270 nan 0.000 0.420 97 R N 0.629 121.073 120.500 -0.093 0.000 2.092 97 R HA -0.083 4.260 4.340 0.006 0.000 0.231 97 R C 1.870 178.028 176.300 -0.236 0.000 1.119 97 R CA 1.185 57.248 56.100 -0.061 0.000 0.970 97 R CB -0.243 30.082 30.300 0.042 0.000 0.864 97 R HN 0.247 nan 8.270 nan 0.000 0.440 98 I N 0.098 120.465 120.570 -0.339 0.000 2.252 98 I HA -0.247 3.926 4.170 0.006 0.000 0.245 98 I C 2.452 178.119 176.117 -0.749 0.000 1.102 98 I CA 1.370 62.272 61.300 -0.663 0.000 1.385 98 I CB -0.261 37.557 38.000 -0.304 0.000 1.064 98 I HN 0.341 nan 8.210 nan 0.000 0.414 99 Q N 0.655 120.202 119.800 -0.420 0.000 2.364 99 Q HA -0.208 4.136 4.340 0.006 0.000 0.207 99 Q C 2.154 178.005 176.000 -0.249 0.000 0.970 99 Q CA 0.904 56.526 55.803 -0.303 0.000 0.888 99 Q CB 0.038 28.621 28.738 -0.259 0.000 0.951 99 Q HN 0.424 nan 8.270 nan 0.000 0.469 100 L N 0.094 121.163 121.223 -0.258 0.000 2.083 100 L HA -0.137 4.206 4.340 0.006 0.000 0.209 100 L C 1.622 178.489 176.870 -0.005 0.000 1.083 100 L CA 1.777 56.560 54.840 -0.094 0.000 0.752 100 L CB -0.270 41.785 42.059 -0.007 0.000 0.899 100 L HN 0.463 nan 8.230 nan 0.000 0.433 101 F N -3.807 116.177 119.950 0.057 0.000 2.694 101 F HA 0.239 4.769 4.527 0.006 0.000 0.292 101 F C 0.567 176.447 175.800 0.134 0.000 1.121 101 F CA -0.834 57.212 58.000 0.076 0.000 1.352 101 F CB -0.650 38.393 39.000 0.071 0.000 1.107 101 F HN -0.083 nan 8.300 nan 0.000 0.597 102 Y N 1.546 121.757 120.300 -0.148 0.000 2.388 102 Y HA 0.644 5.197 4.550 0.006 0.000 0.328 102 Y C 1.149 176.997 175.900 -0.087 0.000 0.963 102 Y CA -1.161 56.919 58.100 -0.033 0.000 1.240 102 Y CB 1.560 40.009 38.460 -0.018 0.000 1.118 102 Y HN 0.106 nan 8.280 nan 0.000 0.484 103 A N 6.497 129.065 122.820 -0.420 0.000 1.883 103 A HA -0.101 4.222 4.320 0.006 0.000 0.217 103 A C -0.654 176.689 177.584 -0.403 0.000 1.186 103 A CA 1.656 53.493 52.037 -0.334 0.000 0.624 103 A CB -1.582 17.286 19.000 -0.220 0.000 0.822 103 A HN 0.745 nan 8.150 nan 0.000 0.444 104 P HA 0.102 nan 4.420 nan 0.000 0.221 104 P C 1.118 178.275 177.300 -0.238 0.000 1.145 104 P CA 1.492 64.342 63.100 -0.417 0.000 0.795 104 P CB -0.185 31.246 31.700 -0.447 0.000 0.775 105 G N -0.670 107.997 108.800 -0.222 0.000 2.553 105 G HA2 0.101 4.065 3.960 0.006 0.000 0.242 105 G HA3 0.101 4.065 3.960 0.006 0.000 0.242 105 G C -0.537 174.367 174.900 0.007 0.000 1.277 105 G CA -0.408 44.635 45.100 -0.094 0.000 0.910 105 G HN 0.517 nan 8.290 nan 0.000 0.576 106 A N -1.483 121.267 122.820 -0.117 0.000 2.549 106 A HA 1.165 5.489 4.320 0.006 0.000 0.297 106 A C -0.237 177.306 177.584 -0.068 0.000 1.061 106 A CA 0.967 52.982 52.037 -0.036 0.000 0.690 106 A CB 1.340 20.370 19.000 0.051 0.000 1.287 106 A HN 2.503 nan 8.150 nan 0.000 0.402 107 K N 1.249 121.658 120.400 0.015 0.000 2.468 107 K HA 0.753 5.076 4.320 0.006 0.000 0.252 107 K C -1.327 175.297 176.600 0.041 0.000 0.932 107 K CA -0.399 55.892 56.287 0.005 0.000 0.794 107 K CB 1.307 33.788 32.500 -0.031 0.000 1.241 107 K HN 0.797 nan 8.250 nan 0.000 0.428 108 I N 2.362 122.922 120.570 -0.017 0.000 2.339 108 I HA 0.338 4.511 4.170 0.006 0.000 0.290 108 I C -0.099 175.980 176.117 -0.064 0.000 0.994 108 I CA -0.964 60.320 61.300 -0.026 0.000 1.191 108 I CB 2.263 40.209 38.000 -0.089 0.000 1.343 108 I HN 0.623 nan 8.210 nan 0.000 0.458 109 T N 6.019 120.506 114.554 -0.111 0.000 2.781 109 T HA 0.219 4.573 4.350 0.006 0.000 0.305 109 T C 0.045 174.711 174.700 -0.057 0.000 1.001 109 T CA -0.472 61.543 62.100 -0.141 0.000 0.950 109 T CB 0.896 69.546 68.868 -0.363 0.000 0.955 109 T HN 0.446 nan 8.240 nan 0.000 0.471 110 V N 1.919 121.848 119.914 0.025 0.000 2.470 110 V HA 0.285 4.409 4.120 0.006 0.000 0.276 110 V C 0.167 176.377 176.094 0.194 0.000 1.040 110 V CA -0.677 61.695 62.300 0.121 0.000 1.008 110 V CB -0.304 31.618 31.823 0.164 0.000 0.990 110 V HN 0.957 nan 8.190 nan 0.000 0.477 111 C N 6.093 125.550 119.300 0.261 0.000 2.203 111 C HA 0.446 4.909 4.460 0.006 0.000 0.413 111 C C 1.184 176.554 174.990 0.635 0.000 1.054 111 C CA -0.123 59.190 59.018 0.491 0.000 1.496 111 C CB -1.259 26.668 27.740 0.310 0.000 1.573 111 C HN 1.083 nan 8.230 nan 0.000 0.498 112 S N 1.987 117.908 115.700 0.368 0.000 2.546 112 S HA -0.008 4.465 4.470 0.006 0.000 0.290 112 S C 0.994 175.509 174.600 -0.141 0.000 1.290 112 S CA 0.119 58.384 58.200 0.109 0.000 1.069 112 S CB 0.315 63.530 63.200 0.025 0.000 0.846 112 S HN 0.760 nan 8.310 nan 0.000 0.495 113 D N 3.525 123.769 120.400 -0.259 0.000 2.358 113 D HA 0.179 4.822 4.640 0.006 0.000 0.224 113 D C 1.536 177.440 176.300 -0.661 0.000 1.123 113 D CA 0.251 53.841 54.000 -0.684 0.000 0.833 113 D CB -0.587 39.958 40.800 -0.425 0.000 0.946 113 D HN 0.579 nan 8.370 nan 0.000 0.505 114 G N 1.320 109.890 108.800 -0.384 0.000 2.459 114 G HA2 -0.359 3.604 3.960 0.006 0.000 0.217 114 G HA3 -0.359 3.604 3.960 0.006 0.000 0.217 114 G C 1.779 176.507 174.900 -0.287 0.000 1.183 114 G CA 0.356 45.313 45.100 -0.238 0.000 0.776 114 G HN 0.249 nan 8.290 nan 0.000 0.552 115 R N 0.035 120.306 120.500 -0.381 0.000 2.152 115 R HA 0.029 4.372 4.340 0.006 0.000 0.232 115 R C 2.537 178.601 176.300 -0.394 0.000 1.117 115 R CA 0.859 56.738 56.100 -0.368 0.000 0.981 115 R CB -0.743 29.323 30.300 -0.389 0.000 0.870 115 R HN 0.265 nan 8.270 nan 0.000 0.451 116 V N 0.103 119.629 119.914 -0.645 0.000 2.515 116 V HA -0.186 3.938 4.120 0.006 0.000 0.250 116 V C 1.483 177.287 176.094 -0.483 0.000 1.058 116 V CA 1.624 63.508 62.300 -0.693 0.000 1.064 116 V CB -0.464 30.717 31.823 -1.071 0.000 0.675 116 V HN 0.181 nan 8.190 nan 0.000 0.461 117 F N 0.050 119.941 119.950 -0.098 0.000 2.220 117 F HA 0.438 4.967 4.527 0.005 0.000 0.290 117 F C 2.024 177.808 175.800 -0.026 0.000 1.080 117 F CA 0.559 58.536 58.000 -0.038 0.000 1.318 117 F CB -1.380 37.606 39.000 -0.024 0.000 1.063 117 F HN 0.249 nan 8.300 nan 0.000 0.498 118 G N 1.650 110.525 108.800 0.125 0.000 2.629 118 G HA2 -0.436 3.527 3.960 0.006 0.000 0.313 118 G HA3 -0.436 3.527 3.960 0.006 0.000 0.313 118 G C 0.905 175.862 174.900 0.095 0.000 1.217 118 G CA 0.796 45.943 45.100 0.077 0.000 0.994 118 G HN 0.390 nan 8.290 nan 0.000 0.549 119 D N 1.181 121.626 120.400 0.075 0.000 2.354 119 D HA -0.051 4.593 4.640 0.006 0.000 0.216 119 D C 2.489 178.825 176.300 0.061 0.000 0.970 119 D CA 1.516 55.553 54.000 0.062 0.000 0.905 119 D CB -0.259 40.572 40.800 0.052 0.000 0.903 119 D HN 0.531 nan 8.370 nan 0.000 0.508 120 L N -0.098 121.174 121.223 0.081 0.000 2.162 120 L HA -0.008 4.335 4.340 0.006 0.000 0.205 120 L C 2.356 179.230 176.870 0.006 0.000 1.086 120 L CA 0.425 55.297 54.840 0.055 0.000 0.778 120 L CB -0.034 42.076 42.059 0.086 0.000 0.928 120 L HN -0.060 nan 8.230 nan 0.000 0.446 121 V N -1.080 118.841 119.914 0.011 0.000 3.590 121 V HA 0.102 4.225 4.120 0.006 0.000 0.265 121 V C 0.794 176.885 176.094 -0.006 0.000 1.239 121 V CA 0.143 62.415 62.300 -0.047 0.000 1.117 121 V CB -0.320 31.439 31.823 -0.107 0.000 0.818 121 V HN 0.471 nan 8.190 nan 0.000 0.451 122 R N -0.297 120.218 120.500 0.025 0.000 3.532 122 R HA -0.147 4.197 4.340 0.006 0.000 0.284 122 R C -0.412 175.914 176.300 0.043 0.000 1.140 122 R CA 0.532 56.650 56.100 0.031 0.000 0.768 122 R CB -2.319 27.990 30.300 0.015 0.000 1.252 122 R HN 0.423 nan 8.270 nan 0.000 0.454 123 I N 0.248 120.850 120.570 0.055 0.000 2.389 123 I HA 0.334 4.507 4.170 0.006 0.000 0.288 123 I C 1.353 177.521 176.117 0.085 0.000 0.999 123 I CA -0.560 60.785 61.300 0.075 0.000 1.129 123 I CB 1.914 39.938 38.000 0.039 0.000 1.288 123 I HN 0.127 nan 8.210 nan 0.000 0.444 124 G N 3.424 112.292 108.800 0.114 0.000 2.594 124 G HA2 0.016 3.979 3.960 0.006 0.000 0.243 124 G HA3 0.016 3.979 3.960 0.006 0.000 0.243 124 G C 0.520 175.448 174.900 0.048 0.000 1.229 124 G CA -0.269 44.867 45.100 0.061 0.000 0.843 124 G HN 0.680 nan 8.290 nan 0.000 0.578 125 D N 1.205 121.621 120.400 0.027 0.000 2.178 125 D HA -0.141 4.503 4.640 0.006 0.000 0.201 125 D C 2.621 178.927 176.300 0.009 0.000 0.980 125 D CA 1.437 55.438 54.000 0.002 0.000 0.842 125 D CB 0.002 40.858 40.800 0.092 0.000 0.948 125 D HN 0.411 nan 8.370 nan 0.000 0.472 126 A N 0.567 123.392 122.820 0.007 0.000 1.930 126 A HA -0.191 4.132 4.320 0.006 0.000 0.217 126 A C 1.928 179.522 177.584 0.017 0.000 1.175 126 A CA 1.178 53.207 52.037 -0.013 0.000 0.627 126 A CB -0.585 18.367 19.000 -0.079 0.000 0.815 126 A HN 0.224 nan 8.150 nan 0.000 0.443 127 H N -0.073 119.011 119.070 0.023 0.000 2.389 127 H HA -0.048 4.511 4.556 0.006 0.000 0.299 127 H C 2.135 177.483 175.328 0.034 0.000 1.081 127 H CA 1.369 57.436 56.048 0.032 0.000 1.345 127 H CB -0.189 29.586 29.762 0.022 0.000 1.393 127 H HN 0.352 nan 8.280 nan 0.000 0.520 128 I N 0.270 120.910 120.570 0.117 0.000 2.163 128 I HA -0.232 3.942 4.170 0.006 0.000 0.243 128 I C 2.373 178.517 176.117 0.044 0.000 1.085 128 I CA 0.986 62.304 61.300 0.029 0.000 1.347 128 I CB -1.137 36.819 38.000 -0.074 0.000 1.044 128 I HN 0.089 nan 8.210 nan 0.000 0.408 129 S N 1.114 116.826 115.700 0.019 0.000 2.356 129 S HA -0.133 4.341 4.470 0.006 0.000 0.223 129 S C 2.267 176.901 174.600 0.057 0.000 1.032 129 S CA 1.444 59.657 58.200 0.021 0.000 1.005 129 S CB -0.406 62.811 63.200 0.028 0.000 0.867 129 S HN 0.561 nan 8.310 nan 0.000 0.449 130 A N 0.374 123.249 122.820 0.091 0.000 1.902 130 A HA -0.137 4.186 4.320 0.006 0.000 0.217 130 A C 1.972 179.618 177.584 0.104 0.000 1.181 130 A CA 1.636 53.730 52.037 0.095 0.000 0.623 130 A CB -0.949 18.130 19.000 0.132 0.000 0.818 130 A HN 0.601 nan 8.150 nan 0.000 0.443 131 Y N 0.170 120.482 120.300 0.020 0.000 2.200 131 Y HA -0.218 4.336 4.550 0.006 0.000 0.290 131 Y C 2.565 178.450 175.900 -0.026 0.000 1.137 131 Y CA 2.127 60.226 58.100 -0.002 0.000 1.163 131 Y CB -0.065 38.391 38.460 -0.006 0.000 0.988 131 Y HN 0.281 nan 8.280 nan 0.000 0.518 132 Q N 0.371 120.243 119.800 0.121 0.000 2.079 132 Q HA -0.174 4.170 4.340 0.006 0.000 0.200 132 Q C 1.792 177.751 176.000 -0.068 0.000 0.974 132 Q CA 1.724 57.537 55.803 0.017 0.000 0.840 132 Q CB -0.514 28.238 28.738 0.022 0.000 0.898 132 Q HN 0.579 nan 8.270 nan 0.000 0.430 133 D N 0.375 120.747 120.400 -0.045 0.000 2.144 133 D HA -0.093 4.551 4.640 0.006 0.000 0.199 133 D C 1.663 177.905 176.300 -0.097 0.000 0.984 133 D CA 1.361 55.327 54.000 -0.056 0.000 0.834 133 D CB -0.065 40.719 40.800 -0.027 0.000 0.955 133 D HN 0.238 nan 8.370 nan 0.000 0.465 134 A N 0.465 123.206 122.820 -0.131 0.000 1.929 134 A HA -0.067 4.257 4.320 0.006 0.000 0.216 134 A C 2.175 179.613 177.584 -0.245 0.000 1.176 134 A CA 0.618 52.553 52.037 -0.170 0.000 0.628 134 A CB -0.563 18.336 19.000 -0.170 0.000 0.816 134 A HN 0.188 nan 8.150 nan 0.000 0.444 135 L N -0.310 120.705 121.223 -0.346 0.000 2.027 135 L HA -0.104 4.240 4.340 0.006 0.000 0.206 135 L C 2.544 179.267 176.870 -0.246 0.000 1.074 135 L CA 1.743 56.366 54.840 -0.362 0.000 0.745 135 L CB -0.412 41.391 42.059 -0.428 0.000 0.898 135 L HN 0.321 nan 8.230 nan 0.000 0.433 136 R N -1.121 119.271 120.500 -0.181 0.000 2.096 136 R HA -0.224 4.119 4.340 0.006 0.000 0.240 136 R C 2.183 178.408 176.300 -0.126 0.000 1.139 136 R CA 1.895 57.915 56.100 -0.133 0.000 0.952 136 R CB -0.729 29.517 30.300 -0.091 0.000 0.854 136 R HN 0.275 nan 8.270 nan 0.000 0.436 137 L N 0.689 121.840 121.223 -0.119 0.000 2.056 137 L HA -0.134 4.209 4.340 0.006 0.000 0.207 137 L C 2.342 179.144 176.870 -0.114 0.000 1.078 137 L CA 1.589 56.368 54.840 -0.102 0.000 0.749 137 L CB -0.343 41.664 42.059 -0.087 0.000 0.901 137 L HN 0.195 nan 8.230 nan 0.000 0.433 138 M N -1.134 118.381 119.600 -0.141 0.000 2.080 138 M HA -0.270 4.213 4.480 0.006 0.000 0.260 138 M C 2.232 178.443 176.300 -0.148 0.000 1.068 138 M CA 2.058 57.271 55.300 -0.145 0.000 1.109 138 M CB -0.222 32.272 32.600 -0.178 0.000 1.342 138 M HN 0.295 nan 8.290 nan 0.000 0.405 139 I N 0.273 120.740 120.570 -0.172 0.000 2.208 139 I HA -0.319 3.855 4.170 0.006 0.000 0.245 139 I C 2.356 178.389 176.117 -0.141 0.000 1.097 139 I CA 1.252 62.449 61.300 -0.170 0.000 1.363 139 I CB -0.573 37.318 38.000 -0.182 0.000 1.051 139 I HN 0.339 nan 8.210 nan 0.000 0.413 140 E N 0.874 121.002 120.200 -0.121 0.000 2.051 140 E HA -0.258 4.096 4.350 0.006 0.000 0.192 140 E C 1.966 178.508 176.600 -0.096 0.000 0.991 140 E CA 1.757 58.096 56.400 -0.103 0.000 0.799 140 E CB -0.437 29.212 29.700 -0.085 0.000 0.748 140 E HN 0.703 nan 8.360 nan 0.000 0.449 141 E N 1.041 121.186 120.200 -0.091 0.000 2.208 141 E HA -0.120 4.233 4.350 0.006 0.000 0.193 141 E C 2.118 178.670 176.600 -0.081 0.000 0.988 141 E CA 1.014 57.368 56.400 -0.077 0.000 0.828 141 E CB -0.551 29.108 29.700 -0.068 0.000 0.763 141 E HN 0.444 nan 8.360 nan 0.000 0.478 142 I N -2.451 118.060 120.570 -0.098 0.000 3.684 142 I HA 0.390 4.563 4.170 0.006 0.000 0.304 142 I C 1.244 177.292 176.117 -0.116 0.000 1.278 142 I CA 0.428 61.668 61.300 -0.100 0.000 1.272 142 I CB 0.010 37.946 38.000 -0.107 0.000 1.029 142 I HN 0.157 nan 8.210 nan 0.000 0.458 143 G N 1.997 110.724 108.800 -0.121 0.000 2.198 143 G HA2 -0.276 3.688 3.960 0.006 0.000 0.260 143 G HA3 -0.276 3.688 3.960 0.006 0.000 0.260 143 G C 0.454 175.244 174.900 -0.184 0.000 1.025 143 G CA 0.129 45.147 45.100 -0.137 0.000 0.769 143 G HN 0.936 nan 8.290 nan 0.000 0.507 144 A N 0.206 122.913 122.820 -0.189 0.000 3.037 144 A HA 0.646 4.970 4.320 0.006 0.000 0.272 144 A C 1.478 178.919 177.584 -0.238 0.000 1.723 144 A CA 1.419 53.326 52.037 -0.217 0.000 1.413 144 A CB -0.111 18.772 19.000 -0.195 0.000 1.112 144 A HN 0.894 nan 8.150 nan 0.000 0.606 145 T N 0.040 114.393 114.554 -0.336 0.000 3.035 145 T HA -0.082 4.271 4.350 0.006 0.000 0.268 145 T C 1.235 175.713 174.700 -0.370 0.000 1.109 145 T CA 1.356 63.242 62.100 -0.358 0.000 1.119 145 T CB -0.487 68.151 68.868 -0.384 0.000 0.900 145 T HN 0.744 nan 8.240 nan 0.000 0.503 146 H N 0.331 119.327 119.070 -0.124 0.000 2.539 146 H HA 0.255 4.815 4.556 0.006 0.000 0.267 146 H C 0.147 175.401 175.328 -0.124 0.000 0.982 146 H CA 0.079 56.056 56.048 -0.120 0.000 1.146 146 H CB 0.163 29.846 29.762 -0.132 0.000 1.382 146 H HN 0.345 nan 8.280 nan 0.000 0.577 147 I N 1.359 121.886 120.570 -0.070 0.000 2.339 147 I HA 0.348 4.522 4.170 0.006 0.000 0.290 147 I C 1.021 177.084 176.117 -0.089 0.000 0.994 147 I CA -0.465 60.781 61.300 -0.091 0.000 1.191 147 I CB 1.326 39.244 38.000 -0.137 0.000 1.343 147 I HN -0.005 nan 8.210 nan 0.000 0.458 148 G N 5.119 113.879 108.800 -0.067 0.000 2.537 148 G HA2 0.681 4.645 3.960 0.006 0.000 0.323 148 G HA3 0.681 4.645 3.960 0.006 0.000 0.323 148 G C -1.158 173.732 174.900 -0.017 0.000 1.207 148 G CA -0.451 44.624 45.100 -0.041 0.000 0.976 148 G HN 0.307 nan 8.290 nan 0.000 0.487 149 V N 0.199 120.130 119.914 0.028 0.000 2.604 149 V HA 0.634 4.758 4.120 0.006 0.000 0.305 149 V C -1.346 174.870 176.094 0.204 0.000 1.043 149 V CA -0.620 61.724 62.300 0.074 0.000 0.888 149 V CB 1.616 33.444 31.823 0.008 0.000 0.995 149 V HN 0.643 nan 8.190 nan 0.000 0.429 150 F N 4.356 124.365 119.950 0.099 0.000 2.539 150 F HA 0.606 5.137 4.527 0.006 0.000 0.318 150 F C -0.218 175.754 175.800 0.287 0.000 1.135 150 F CA -0.300 57.818 58.000 0.196 0.000 0.915 150 F CB 1.641 40.791 39.000 0.251 0.000 1.176 150 F HN 0.456 nan 8.300 nan 0.000 0.440 151 N N 4.592 123.136 118.700 -0.259 0.000 2.381 151 N HA 0.255 4.998 4.740 0.006 0.000 0.294 151 N C 0.566 175.911 175.510 -0.274 0.000 1.216 151 N CA -0.568 52.372 53.050 -0.183 0.000 0.803 151 N CB 2.224 40.606 38.487 -0.175 0.000 1.372 151 N HN 0.741 nan 8.380 nan 0.000 0.500 152 L N 1.933 122.970 121.223 -0.309 0.000 2.081 152 L HA -0.174 4.169 4.340 0.006 0.000 0.212 152 L C 2.118 178.982 176.870 -0.011 0.000 1.080 152 L CA 1.908 56.670 54.840 -0.129 0.000 0.754 152 L CB -0.515 41.388 42.059 -0.260 0.000 0.893 152 L HN 0.664 nan 8.230 nan 0.000 0.433 153 E N -1.754 118.402 120.200 -0.073 0.000 2.478 153 E HA -0.189 4.165 4.350 0.006 0.000 0.198 153 E C 0.761 177.333 176.600 -0.046 0.000 1.046 153 E CA 1.022 57.426 56.400 0.007 0.000 0.870 153 E CB -0.456 29.269 29.700 0.041 0.000 0.818 153 E HN 0.557 nan 8.360 nan 0.000 0.527 154 D N 1.060 121.331 120.400 -0.215 0.000 2.354 154 D HA 0.042 4.685 4.640 0.006 0.000 0.209 154 D C 0.242 176.449 176.300 -0.154 0.000 1.015 154 D CA 0.083 53.917 54.000 -0.277 0.000 0.867 154 D CB 0.511 40.937 40.800 -0.623 0.000 0.933 154 D HN -0.009 nan 8.370 nan 0.000 0.520 155 V N 2.354 122.207 119.914 -0.102 0.000 2.425 155 V HA -0.038 4.085 4.120 0.006 0.000 0.276 155 V C 1.871 177.938 176.094 -0.045 0.000 1.017 155 V CA 0.180 62.468 62.300 -0.020 0.000 1.062 155 V CB 0.819 32.504 31.823 -0.230 0.000 0.997 155 V HN 0.032 nan 8.190 nan 0.000 0.476 156 R N 4.887 125.382 120.500 -0.008 0.000 2.105 156 R HA -0.203 4.141 4.340 0.006 0.000 0.239 156 R C 2.108 178.405 176.300 -0.005 0.000 1.135 156 R CA 1.840 57.944 56.100 0.005 0.000 0.967 156 R CB -0.163 30.143 30.300 0.011 0.000 0.861 156 R HN 0.821 nan 8.270 nan 0.000 0.442 157 A N 0.068 122.831 122.820 -0.096 0.000 1.972 157 A HA -0.111 4.212 4.320 0.006 0.000 0.219 157 A C 1.122 178.837 177.584 0.219 0.000 1.169 157 A CA 0.976 52.997 52.037 -0.026 0.000 0.635 157 A CB -0.278 18.636 19.000 -0.143 0.000 0.810 157 A HN 0.357 nan 8.150 nan 0.000 0.446 158 F N 0.049 120.048 119.950 0.083 0.000 2.645 158 F HA 0.247 4.778 4.527 0.008 0.000 0.300 158 F C 1.578 177.408 175.800 0.050 0.000 1.115 158 F CA -0.721 57.323 58.000 0.072 0.000 1.355 158 F CB -0.853 38.200 39.000 0.089 0.000 1.026 158 F HN 0.400 nan 8.300 nan 0.000 0.536 159 E N 0.895 121.215 120.200 0.200 0.000 2.118 159 E HA -0.202 4.152 4.350 0.006 0.000 0.195 159 E C 2.331 178.987 176.600 0.093 0.000 0.992 159 E CA 1.147 57.618 56.400 0.119 0.000 0.804 159 E CB 0.186 29.934 29.700 0.080 0.000 0.741 159 E HN 0.343 nan 8.360 nan 0.000 0.458 160 A N 0.387 123.264 122.820 0.094 0.000 1.969 160 A HA -0.127 4.196 4.320 0.006 0.000 0.218 160 A C 1.761 179.370 177.584 0.042 0.000 1.169 160 A CA 0.964 53.036 52.037 0.059 0.000 0.635 160 A CB 0.030 19.062 19.000 0.054 0.000 0.810 160 A HN 0.152 nan 8.150 nan 0.000 0.445 161 Q N -0.844 118.991 119.800 0.058 0.000 2.201 161 Q HA 0.160 4.504 4.340 0.006 0.000 0.217 161 Q C 1.377 177.399 176.000 0.036 0.000 0.860 161 Q CA -0.114 55.704 55.803 0.024 0.000 0.984 161 Q CB 0.118 28.854 28.738 -0.004 0.000 1.095 161 Q HN 0.725 nan 8.270 nan 0.000 0.477 162 R N 0.849 121.381 120.500 0.053 0.000 2.105 162 R HA -0.133 4.211 4.340 0.006 0.000 0.239 162 R C 0.178 176.489 176.300 0.018 0.000 1.135 162 R CA 1.412 57.550 56.100 0.065 0.000 0.967 162 R CB 0.433 30.766 30.300 0.055 0.000 0.861 162 R HN 0.160 nan 8.270 nan 0.000 0.442 163 D N -0.565 119.795 120.400 -0.067 0.000 2.369 163 D HA -0.008 4.636 4.640 0.006 0.000 0.211 163 D C -0.303 175.803 176.300 -0.324 0.000 1.077 163 D CA 0.121 53.996 54.000 -0.207 0.000 0.842 163 D CB 0.140 40.867 40.800 -0.122 0.000 0.947 163 D HN 0.065 nan 8.370 nan 0.000 0.509 164 N N 1.147 119.727 118.700 -0.200 0.000 2.817 164 N HA -0.008 4.735 4.740 0.006 0.000 0.234 164 N C 0.832 176.288 175.510 -0.090 0.000 1.066 164 N CA -0.205 52.747 53.050 -0.164 0.000 0.926 164 N CB 0.162 38.601 38.487 -0.080 0.000 1.176 164 N HN -0.016 nan 8.380 nan 0.000 0.506 165 H N 0.726 119.782 119.070 -0.022 0.000 2.457 165 H HA -0.054 4.505 4.556 0.005 0.000 0.297 165 H C 1.048 176.354 175.328 -0.036 0.000 1.092 165 H CA 0.888 56.917 56.048 -0.031 0.000 1.309 165 H CB 0.535 30.278 29.762 -0.031 0.000 1.382 165 H HN 0.555 nan 8.280 nan 0.000 0.535 166 E N 0.593 120.838 120.200 0.076 0.000 2.072 166 E HA -0.117 4.236 4.350 0.006 0.000 0.190 166 E C 2.620 179.219 176.600 -0.001 0.000 0.982 166 E CA 1.204 57.623 56.400 0.032 0.000 0.803 166 E CB -0.089 29.624 29.700 0.021 0.000 0.755 166 E HN 0.746 nan 8.360 nan 0.000 0.453 167 Q N 0.854 120.644 119.800 -0.018 0.000 2.167 167 Q HA -0.017 4.326 4.340 0.006 0.000 0.202 167 Q C 2.365 178.310 176.000 -0.092 0.000 0.970 167 Q CA 1.120 56.894 55.803 -0.049 0.000 0.855 167 Q CB -0.832 27.878 28.738 -0.046 0.000 0.911 167 Q HN 0.291 nan 8.270 nan 0.000 0.438 168 L N -0.419 120.771 121.223 -0.056 0.000 2.042 168 L HA -0.237 4.106 4.340 0.006 0.000 0.210 168 L C 2.965 179.769 176.870 -0.109 0.000 1.076 168 L CA 1.766 56.559 54.840 -0.078 0.000 0.749 168 L CB -0.272 41.818 42.059 0.051 0.000 0.893 168 L HN 0.444 nan 8.230 nan 0.000 0.432 169 R N -0.948 119.523 120.500 -0.049 0.000 2.092 169 R HA -0.154 4.189 4.340 0.006 0.000 0.231 169 R C 2.293 178.571 176.300 -0.036 0.000 1.119 169 R CA 0.904 56.985 56.100 -0.032 0.000 0.970 169 R CB -0.163 30.130 30.300 -0.011 0.000 0.864 169 R HN 0.377 nan 8.270 nan 0.000 0.440 170 Q N 0.657 120.422 119.800 -0.058 0.000 2.119 170 Q HA -0.079 4.264 4.340 0.006 0.000 0.201 170 Q C 2.224 178.157 176.000 -0.111 0.000 0.972 170 Q CA 1.224 56.993 55.803 -0.057 0.000 0.847 170 Q CB -0.136 28.572 28.738 -0.050 0.000 0.903 170 Q HN 0.393 nan 8.270 nan 0.000 0.433 171 L N -0.054 121.013 121.223 -0.260 0.000 2.056 171 L HA -0.181 4.162 4.340 0.006 0.000 0.207 171 L C 2.330 178.998 176.870 -0.337 0.000 1.078 171 L CA 0.555 55.092 54.840 -0.505 0.000 0.749 171 L CB -0.497 40.855 42.059 -1.178 0.000 0.901 171 L HN 0.206 nan 8.230 nan 0.000 0.433 172 L N 0.225 121.357 121.223 -0.151 0.000 1.994 172 L HA -0.211 4.133 4.340 0.006 0.000 0.208 172 L C 2.335 179.360 176.870 0.258 0.000 1.071 172 L CA 1.805 56.797 54.840 0.254 0.000 0.745 172 L CB -0.325 41.886 42.059 0.253 0.000 0.892 172 L HN 0.054 nan 8.230 nan 0.000 0.431 173 I N -0.217 120.433 120.570 0.134 0.000 2.099 173 I HA -0.246 3.928 4.170 0.006 0.000 0.239 173 I C 2.534 178.717 176.117 0.111 0.000 1.066 173 I CA 1.644 63.022 61.300 0.131 0.000 1.324 173 I CB -1.267 36.783 38.000 0.084 0.000 1.037 173 I HN 0.424 nan 8.210 nan 0.000 0.401 174 G N 0.040 108.872 108.800 0.054 0.000 2.422 174 G HA2 -0.168 3.795 3.960 0.006 0.000 0.218 174 G HA3 -0.168 3.795 3.960 0.006 0.000 0.218 174 G C 1.679 176.592 174.900 0.022 0.000 1.146 174 G CA 0.868 45.984 45.100 0.028 0.000 0.769 174 G HN 0.533 nan 8.290 nan 0.000 0.547 175 G N -1.261 107.575 108.800 0.059 0.000 2.494 175 G HA2 0.126 4.089 3.960 0.006 0.000 0.216 175 G HA3 0.126 4.089 3.960 0.006 0.000 0.216 175 G C 1.210 175.919 174.900 -0.319 0.000 1.140 175 G CA 0.583 45.653 45.100 -0.049 0.000 0.801 175 G HN 0.461 nan 8.290 nan 0.000 0.536 176 Y N -0.447 119.953 120.300 0.168 0.000 2.515 176 Y HA 0.551 5.104 4.550 0.005 0.000 0.267 176 Y C 1.391 177.392 175.900 0.169 0.000 1.058 176 Y CA -0.722 57.480 58.100 0.170 0.000 1.231 176 Y CB 0.491 39.079 38.460 0.213 0.000 1.350 176 Y HN 0.244 nan 8.280 nan 0.000 0.554 177 A N 0.873 123.851 122.820 0.264 0.000 2.322 177 A HA 0.433 4.756 4.320 0.006 0.000 0.269 177 A C 0.124 177.820 177.584 0.187 0.000 1.094 177 A CA -0.469 51.714 52.037 0.242 0.000 0.807 177 A CB 0.378 19.501 19.000 0.204 0.000 1.047 177 A HN 0.113 nan 8.150 nan 0.000 0.487 178 E N 0.874 121.202 120.200 0.213 0.000 2.319 178 E HA 0.331 4.685 4.350 0.006 0.000 0.268 178 E C -2.439 174.245 176.600 0.141 0.000 1.050 178 E CA -1.866 54.634 56.400 0.167 0.000 0.878 178 E CB -0.109 29.712 29.700 0.201 0.000 1.066 178 E HN 0.340 nan 8.360 nan 0.000 0.406 179 P HA 0.006 nan 4.420 nan 0.000 0.266 179 P C 0.990 178.334 177.300 0.074 0.000 1.195 179 P CA 0.149 63.293 63.100 0.073 0.000 0.768 179 P CB 0.556 32.285 31.700 0.047 0.000 0.838 180 L N 2.386 123.645 121.223 0.061 0.000 2.013 180 L HA -0.215 4.128 4.340 0.006 0.000 0.212 180 L C 2.217 179.079 176.870 -0.012 0.000 1.073 180 L CA 1.729 56.597 54.840 0.046 0.000 0.753 180 L CB -0.489 41.596 42.059 0.045 0.000 0.890 180 L HN 0.548 nan 8.230 nan 0.000 0.432 181 E N -0.471 119.716 120.200 -0.023 0.000 2.516 181 E HA -0.141 4.212 4.350 0.006 0.000 0.199 181 E C 1.686 178.247 176.600 -0.064 0.000 1.069 181 E CA 1.209 57.568 56.400 -0.067 0.000 0.876 181 E CB -0.122 29.552 29.700 -0.044 0.000 0.843 181 E HN 0.527 nan 8.360 nan 0.000 0.530 182 S N -0.066 115.624 115.700 -0.016 0.000 2.503 182 S HA 0.090 4.564 4.470 0.006 0.000 0.215 182 S C 1.889 176.511 174.600 0.037 0.000 1.003 182 S CA -0.244 57.963 58.200 0.011 0.000 0.910 182 S CB -0.141 63.087 63.200 0.047 0.000 0.790 182 S HN 0.091 nan 8.310 nan 0.000 0.514 183 I N 2.677 123.269 120.570 0.038 0.000 2.179 183 I HA -0.088 4.085 4.170 0.006 0.000 0.242 183 I C 2.868 179.010 176.117 0.041 0.000 1.088 183 I CA 1.325 62.695 61.300 0.117 0.000 1.357 183 I CB -1.181 36.873 38.000 0.091 0.000 1.051 183 I HN 0.441 nan 8.210 nan 0.000 0.409 184 R N 0.995 121.376 120.500 -0.198 0.000 2.094 184 R HA -0.229 4.114 4.340 0.006 0.000 0.239 184 R C 2.238 178.478 176.300 -0.102 0.000 1.137 184 R CA 1.935 57.857 56.100 -0.297 0.000 0.943 184 R CB -0.271 29.648 30.300 -0.635 0.000 0.850 184 R HN 0.358 nan 8.270 nan 0.000 0.433 185 E N -0.727 119.428 120.200 -0.074 0.000 2.085 185 E HA -0.178 4.175 4.350 0.006 0.000 0.194 185 E C 1.675 178.293 176.600 0.030 0.000 0.994 185 E CA 2.053 58.439 56.400 -0.024 0.000 0.801 185 E CB 0.029 29.717 29.700 -0.019 0.000 0.743 185 E HN 0.456 nan 8.360 nan 0.000 0.453 186 T N 1.600 116.206 114.554 0.087 0.000 2.674 186 T HA -0.155 4.199 4.350 0.006 0.000 0.265 186 T C 2.032 176.842 174.700 0.183 0.000 1.039 186 T CA 1.098 63.283 62.100 0.143 0.000 1.150 186 T CB -0.383 68.629 68.868 0.240 0.000 0.864 186 T HN 0.134 nan 8.240 nan 0.000 0.427 187 L N 0.477 121.848 121.223 0.246 0.000 2.051 187 L HA -0.125 4.219 4.340 0.006 0.000 0.214 187 L C 2.405 179.330 176.870 0.092 0.000 1.076 187 L CA 1.312 56.273 54.840 0.203 0.000 0.758 187 L CB -0.616 41.503 42.059 0.100 0.000 0.890 187 L HN 0.267 nan 8.230 nan 0.000 0.433 188 L N -0.964 120.279 121.223 0.032 0.000 2.478 188 L HA -0.058 4.285 4.340 0.006 0.000 0.223 188 L C 2.636 179.524 176.870 0.031 0.000 1.140 188 L CA 0.373 55.220 54.840 0.011 0.000 0.842 188 L CB -0.547 41.501 42.059 -0.019 0.000 0.953 188 L HN 0.216 nan 8.230 nan 0.000 0.452 189 A N -0.323 122.524 122.820 0.045 0.000 2.015 189 A HA -0.045 4.278 4.320 0.006 0.000 0.219 189 A C 1.157 178.767 177.584 0.042 0.000 1.163 189 A CA 1.294 53.354 52.037 0.037 0.000 0.646 189 A CB -0.164 18.857 19.000 0.035 0.000 0.806 189 A HN 0.464 nan 8.150 nan 0.000 0.448 190 S N -2.364 113.372 115.700 0.060 0.000 2.556 190 S HA 0.430 4.903 4.470 0.006 0.000 0.271 190 S C 0.028 174.678 174.600 0.084 0.000 1.135 190 S CA -0.255 57.985 58.200 0.068 0.000 0.858 190 S CB 1.138 64.381 63.200 0.071 0.000 1.114 190 S HN 0.283 nan 8.310 nan 0.000 0.468 191 E N 0.861 121.110 120.200 0.082 0.000 2.219 191 E HA -0.173 4.180 4.350 0.006 0.000 0.198 191 E C 2.220 178.890 176.600 0.116 0.000 0.998 191 E CA 1.675 58.123 56.400 0.080 0.000 0.818 191 E CB -0.425 29.313 29.700 0.064 0.000 0.741 191 E HN 0.902 nan 8.360 nan 0.000 0.477 192 E N 1.238 121.540 120.200 0.171 0.000 2.107 192 E HA -0.050 4.304 4.350 0.006 0.000 0.191 192 E C 2.189 178.902 176.600 0.189 0.000 0.982 192 E CA 1.094 57.630 56.400 0.226 0.000 0.809 192 E CB -1.218 28.615 29.700 0.221 0.000 0.756 192 E HN 0.379 nan 8.360 nan 0.000 0.459 193 G N 0.671 109.579 108.800 0.180 0.000 2.421 193 G HA2 -0.165 3.799 3.960 0.006 0.000 0.216 193 G HA3 -0.165 3.799 3.960 0.006 0.000 0.216 193 G C 1.859 176.863 174.900 0.173 0.000 1.171 193 G CA 1.039 46.268 45.100 0.216 0.000 0.775 193 G HN 0.437 nan 8.290 nan 0.000 0.543 194 L N 0.466 121.768 121.223 0.132 0.000 2.043 194 L HA -0.169 4.174 4.340 0.006 0.000 0.212 194 L C 3.512 180.447 176.870 0.107 0.000 1.075 194 L CA 1.525 56.441 54.840 0.127 0.000 0.752 194 L CB -0.929 41.180 42.059 0.083 0.000 0.891 194 L HN 0.316 nan 8.230 nan 0.000 0.432 195 L N -0.844 120.425 121.223 0.077 0.000 2.046 195 L HA -0.195 4.149 4.340 0.006 0.000 0.208 195 L C 2.554 179.427 176.870 0.004 0.000 1.077 195 L CA 2.359 57.219 54.840 0.035 0.000 0.747 195 L CB -1.451 40.641 42.059 0.054 0.000 0.896 195 L HN 0.300 nan 8.230 nan 0.000 0.432 196 L N -1.799 119.444 121.223 0.032 0.000 2.027 196 L HA -0.148 4.196 4.340 0.006 0.000 0.206 196 L C 2.522 179.344 176.870 -0.081 0.000 1.074 196 L CA 2.217 57.015 54.840 -0.070 0.000 0.745 196 L CB -0.872 41.188 42.059 0.002 0.000 0.898 196 L HN 0.559 nan 8.230 nan 0.000 0.433 197 Y N 0.186 120.416 120.300 -0.116 0.000 2.114 197 Y HA -0.340 4.213 4.550 0.005 0.000 0.282 197 Y C 2.680 178.470 175.900 -0.183 0.000 1.165 197 Y CA 1.968 59.979 58.100 -0.148 0.000 1.148 197 Y CB -0.013 38.399 38.460 -0.082 0.000 0.972 197 Y HN 0.152 nan 8.280 nan 0.000 0.504 198 R N -0.130 120.256 120.500 -0.191 0.000 2.073 198 R HA -0.164 4.179 4.340 0.006 0.000 0.234 198 R C 2.549 178.661 176.300 -0.313 0.000 1.134 198 R CA 1.078 57.017 56.100 -0.269 0.000 0.952 198 R CB -0.773 29.446 30.300 -0.136 0.000 0.850 198 R HN 0.438 nan 8.270 nan 0.000 0.433 199 A N 1.680 124.321 122.820 -0.299 0.000 1.883 199 A HA -0.167 4.157 4.320 0.006 0.000 0.217 199 A C 2.137 179.265 177.584 -0.760 0.000 1.186 199 A CA 1.314 53.086 52.037 -0.441 0.000 0.624 199 A CB -0.401 18.385 19.000 -0.356 0.000 0.822 199 A HN 0.097 nan 8.150 nan 0.000 0.444 200 I N -0.013 120.190 120.570 -0.612 0.000 2.202 200 I HA -0.160 4.013 4.170 0.006 0.000 0.242 200 I C 2.547 178.433 176.117 -0.385 0.000 1.091 200 I CA 1.974 62.959 61.300 -0.526 0.000 1.368 200 I CB -1.967 35.841 38.000 -0.321 0.000 1.058 200 I HN 0.260 nan 8.210 nan 0.000 0.410 201 T N 0.700 114.980 114.554 -0.456 0.000 2.699 201 T HA -0.227 4.126 4.350 0.006 0.000 0.268 201 T C 2.124 176.694 174.700 -0.217 0.000 1.036 201 T CA 1.388 63.243 62.100 -0.407 0.000 1.147 201 T CB -0.234 68.279 68.868 -0.591 0.000 0.862 201 T HN 0.271 nan 8.240 nan 0.000 0.446 202 R N -0.422 119.947 120.500 -0.219 0.000 2.081 202 R HA -0.046 4.298 4.340 0.006 0.000 0.235 202 R C 2.269 178.607 176.300 0.064 0.000 1.131 202 R CA 1.201 57.262 56.100 -0.065 0.000 0.960 202 R CB -0.347 29.899 30.300 -0.090 0.000 0.856 202 R HN 0.315 nan 8.270 nan 0.000 0.436 203 F N 1.148 121.012 119.950 -0.144 0.000 2.043 203 F HA -0.230 4.300 4.527 0.005 0.000 0.297 203 F C 2.315 177.986 175.800 -0.215 0.000 1.121 203 F CA 1.200 59.058 58.000 -0.237 0.000 1.199 203 F CB -1.164 37.716 39.000 -0.200 0.000 0.968 203 F HN -0.005 nan 8.300 nan 0.000 0.478 204 L N -1.642 119.607 121.223 0.042 0.000 2.046 204 L HA -0.280 4.063 4.340 0.006 0.000 0.208 204 L C 2.469 179.315 176.870 -0.040 0.000 1.077 204 L CA 1.589 56.408 54.840 -0.035 0.000 0.747 204 L CB -1.027 40.992 42.059 -0.067 0.000 0.896 204 L HN 0.112 nan 8.230 nan 0.000 0.432 205 Y N 1.109 121.329 120.300 -0.134 0.000 2.145 205 Y HA -0.289 4.264 4.550 0.005 0.000 0.286 205 Y C 2.517 178.327 175.900 -0.150 0.000 1.145 205 Y CA 1.923 59.936 58.100 -0.145 0.000 1.148 205 Y CB -0.137 38.239 38.460 -0.140 0.000 0.981 205 Y HN 0.147 nan 8.280 nan 0.000 0.507 206 E N -0.198 119.896 120.200 -0.177 0.000 2.106 206 E HA -0.184 4.169 4.350 0.006 0.000 0.192 206 E C 1.759 178.197 176.600 -0.270 0.000 0.984 206 E CA 1.333 57.579 56.400 -0.257 0.000 0.806 206 E CB -0.114 29.517 29.700 -0.115 0.000 0.750 206 E HN 0.465 nan 8.360 nan 0.000 0.458 207 D N -0.626 119.642 120.400 -0.220 0.000 2.149 207 D HA -0.123 4.520 4.640 0.006 0.000 0.198 207 D C 1.835 178.004 176.300 -0.218 0.000 0.990 207 D CA 1.344 55.232 54.000 -0.186 0.000 0.839 207 D CB -0.466 40.250 40.800 -0.139 0.000 0.948 207 D HN 0.305 nan 8.370 nan 0.000 0.460 208 G N -0.093 108.528 108.800 -0.297 0.000 2.430 208 G HA2 -0.107 3.856 3.960 0.006 0.000 0.216 208 G HA3 -0.107 3.856 3.960 0.006 0.000 0.216 208 G C 0.780 175.314 174.900 -0.611 0.000 1.146 208 G CA -0.235 44.638 45.100 -0.379 0.000 0.793 208 G HN 0.211 nan 8.290 nan 0.000 0.537 209 L N 3.767 124.588 121.223 -0.670 0.000 2.388 209 L HA 0.258 4.602 4.340 0.006 0.000 0.252 209 L C 1.117 177.769 176.870 -0.363 0.000 1.357 209 L CA -0.227 54.211 54.840 -0.671 0.000 1.214 209 L CB -0.995 40.642 42.059 -0.703 0.000 1.392 209 L HN 0.153 nan 8.230 nan 0.000 0.432 210 T N 1.095 115.475 114.554 -0.289 0.000 2.813 210 T HA 0.361 4.714 4.350 0.006 0.000 0.297 210 T C -2.354 172.350 174.700 0.006 0.000 1.036 210 T CA -1.577 60.473 62.100 -0.082 0.000 1.044 210 T CB 0.121 68.992 68.868 0.005 0.000 0.993 210 T HN 0.280 nan 8.240 nan 0.000 0.535 211 P HA 0.192 nan 4.420 nan 0.000 0.264 211 P C 0.576 177.911 177.300 0.059 0.000 1.183 211 P CA 1.312 64.427 63.100 0.025 0.000 0.763 211 P CB -0.799 30.910 31.700 0.016 0.000 0.807 212 D N 0.435 120.865 120.400 0.051 0.000 2.702 212 D HA -0.274 4.370 4.640 0.006 0.000 0.233 212 D C -0.009 176.334 176.300 0.071 0.000 1.164 212 D CA 0.602 54.630 54.000 0.048 0.000 0.638 212 D CB -2.422 38.391 40.800 0.022 0.000 1.041 212 D HN 0.530 nan 8.370 nan 0.000 0.422 213 Y N 0.343 120.624 120.300 -0.031 0.000 2.729 213 Y HA 0.288 4.841 4.550 0.005 0.000 0.331 213 Y C 1.516 177.404 175.900 -0.020 0.000 1.208 213 Y CA 0.682 58.762 58.100 -0.033 0.000 1.521 213 Y CB 0.913 39.341 38.460 -0.054 0.000 1.233 213 Y HN 0.336 nan 8.280 nan 0.000 0.539 214 Q N 4.432 123.924 119.800 -0.513 0.000 2.408 214 Q HA 0.159 4.503 4.340 0.006 0.000 0.205 214 Q C 1.099 176.783 176.000 -0.525 0.000 0.919 214 Q CA 0.661 56.229 55.803 -0.392 0.000 0.932 214 Q CB 0.254 28.858 28.738 -0.223 0.000 1.058 214 Q HN 0.939 nan 8.270 nan 0.000 0.517 215 G N 0.982 109.128 108.800 -1.089 0.000 2.485 215 G HA2 0.252 4.216 3.960 0.006 0.000 0.260 215 G HA3 0.252 4.216 3.960 0.006 0.000 0.260 215 G C -0.355 174.391 174.900 -0.258 0.000 1.459 215 G CA -0.245 44.464 45.100 -0.651 0.000 1.060 215 G HN 0.249 nan 8.290 nan 0.000 0.546 216 S N -1.918 113.807 115.700 0.042 0.000 2.462 216 S HA 0.569 5.042 4.470 0.006 0.000 0.294 216 S C 0.850 175.623 174.600 0.288 0.000 1.144 216 S CA 0.092 58.372 58.200 0.133 0.000 1.088 216 S CB 1.666 64.914 63.200 0.079 0.000 1.009 216 S HN 0.948 nan 8.310 nan 0.000 0.484 217 K N 1.010 121.563 120.400 0.255 0.000 2.432 217 K HA 0.200 4.524 4.320 0.006 0.000 0.196 217 K C 1.958 178.682 176.600 0.206 0.000 1.038 217 K CA 1.509 57.963 56.287 0.279 0.000 0.986 217 K CB -1.767 30.883 32.500 0.251 0.000 0.782 217 K HN 0.936 nan 8.250 nan 0.000 0.485 218 T N -0.421 114.210 114.554 0.128 0.000 2.937 218 T HA 0.434 4.787 4.350 0.006 0.000 0.260 218 T C 2.399 177.140 174.700 0.069 0.000 1.051 218 T CA 1.602 63.742 62.100 0.067 0.000 1.141 218 T CB -0.190 68.704 68.868 0.044 0.000 0.879 218 T HN 0.484 nan 8.240 nan 0.000 0.459 219 A N 0.183 123.060 122.820 0.095 0.000 2.067 219 A HA 0.391 4.715 4.320 0.006 0.000 0.217 219 A C 2.320 179.967 177.584 0.106 0.000 1.156 219 A CA 1.106 53.195 52.037 0.087 0.000 0.683 219 A CB -0.408 18.643 19.000 0.086 0.000 0.808 219 A HN 0.458 nan 8.150 nan 0.000 0.455 220 L N -0.182 121.134 121.223 0.154 0.000 2.007 220 L HA -0.129 4.214 4.340 0.006 0.000 0.205 220 L C 2.554 179.520 176.870 0.161 0.000 1.073 220 L CA 2.656 57.582 54.840 0.143 0.000 0.744 220 L CB -0.801 41.317 42.059 0.099 0.000 0.898 220 L HN 0.550 nan 8.230 nan 0.000 0.435 221 Q N -0.555 119.360 119.800 0.190 0.000 2.096 221 Q HA -0.257 4.087 4.340 0.006 0.000 0.204 221 Q C 2.313 178.287 176.000 -0.044 0.000 0.982 221 Q CA 2.752 58.555 55.803 0.001 0.000 0.850 221 Q CB -0.133 28.401 28.738 -0.340 0.000 0.901 221 Q HN 0.467 nan 8.270 nan 0.000 0.422 222 R N 0.846 121.338 120.500 -0.012 0.000 2.083 222 R HA -0.205 4.138 4.340 0.006 0.000 0.237 222 R C 1.809 178.111 176.300 0.003 0.000 1.137 222 R CA 2.059 58.156 56.100 -0.006 0.000 0.951 222 R CB -1.977 28.333 30.300 0.017 0.000 0.851 222 R HN 0.724 nan 8.270 nan 0.000 0.434 223 D N -0.479 119.934 120.400 0.022 0.000 2.182 223 D HA -0.012 4.632 4.640 0.006 0.000 0.201 223 D C 2.008 178.303 176.300 -0.009 0.000 0.986 223 D CA 1.576 55.588 54.000 0.021 0.000 0.847 223 D CB -0.094 40.727 40.800 0.036 0.000 0.942 223 D HN 0.524 nan 8.370 nan 0.000 0.467 224 A N 0.179 122.985 122.820 -0.024 0.000 1.898 224 A HA -0.052 4.271 4.320 0.006 0.000 0.214 224 A C 2.129 179.611 177.584 -0.169 0.000 1.183 224 A CA 1.089 53.083 52.037 -0.072 0.000 0.622 224 A CB -0.339 18.645 19.000 -0.027 0.000 0.824 224 A HN 0.147 nan 8.150 nan 0.000 0.444 225 K N -0.219 120.069 120.400 -0.186 0.000 2.097 225 K HA -0.119 4.205 4.320 0.006 0.000 0.206 225 K C 2.338 178.797 176.600 -0.234 0.000 1.049 225 K CA 1.626 57.757 56.287 -0.260 0.000 0.933 225 K CB -0.245 32.182 32.500 -0.123 0.000 0.717 225 K HN 0.613 nan 8.250 nan 0.000 0.442 226 E N 1.669 121.819 120.200 -0.084 0.000 2.051 226 E HA -0.174 4.180 4.350 0.006 0.000 0.192 226 E C 1.895 178.497 176.600 0.003 0.000 0.991 226 E CA 1.302 57.717 56.400 0.025 0.000 0.799 226 E CB -0.473 29.277 29.700 0.083 0.000 0.748 226 E HN 0.317 nan 8.360 nan 0.000 0.449 227 R N -0.499 119.977 120.500 -0.041 0.000 2.189 227 R HA 0.153 4.497 4.340 0.006 0.000 0.218 227 R C 2.747 179.006 176.300 -0.068 0.000 1.074 227 R CA 0.784 56.869 56.100 -0.024 0.000 0.991 227 R CB -0.276 30.005 30.300 -0.032 0.000 0.883 227 R HN 0.447 nan 8.270 nan 0.000 0.457 228 A N 0.696 123.408 122.820 -0.180 0.000 1.917 228 A HA -0.224 4.100 4.320 0.006 0.000 0.219 228 A C 1.617 179.155 177.584 -0.077 0.000 1.182 228 A CA 1.391 53.305 52.037 -0.205 0.000 0.633 228 A CB -0.693 18.074 19.000 -0.387 0.000 0.819 228 A HN 0.287 nan 8.150 nan 0.000 0.448 229 Y N -0.004 120.348 120.300 0.087 0.000 2.165 229 Y HA -0.111 4.442 4.550 0.005 0.000 0.286 229 Y C 2.807 178.698 175.900 -0.015 0.000 1.155 229 Y CA 0.782 58.896 58.100 0.022 0.000 1.164 229 Y CB -1.296 37.182 38.460 0.030 0.000 0.978 229 Y HN 0.297 nan 8.280 nan 0.000 0.513 230 G N -0.699 108.205 108.800 0.173 0.000 2.403 230 G HA2 -0.154 3.810 3.960 0.006 0.000 0.216 230 G HA3 -0.154 3.810 3.960 0.006 0.000 0.216 230 G C 1.807 176.775 174.900 0.113 0.000 1.154 230 G CA 1.125 46.301 45.100 0.128 0.000 0.784 230 G HN 0.295 nan 8.290 nan 0.000 0.538 231 V N 1.089 121.040 119.914 0.062 0.000 2.343 231 V HA -0.138 3.986 4.120 0.006 0.000 0.247 231 V C 2.757 178.908 176.094 0.095 0.000 1.051 231 V CA 1.481 63.817 62.300 0.060 0.000 1.036 231 V CB -0.338 31.395 31.823 -0.151 0.000 0.654 231 V HN 0.379 nan 8.190 nan 0.000 0.451 232 I N -0.464 120.060 120.570 -0.076 0.000 2.252 232 I HA -0.267 3.906 4.170 0.006 0.000 0.245 232 I C 2.661 178.565 176.117 -0.355 0.000 1.102 232 I CA 1.557 62.651 61.300 -0.343 0.000 1.385 232 I CB -0.438 37.211 38.000 -0.585 0.000 1.064 232 I HN 0.369 nan 8.210 nan 0.000 0.414 233 Q N 1.054 120.782 119.800 -0.120 0.000 2.096 233 Q HA -0.273 4.071 4.340 0.006 0.000 0.208 233 Q C 2.395 178.515 176.000 0.201 0.000 0.993 233 Q CA 1.827 57.685 55.803 0.091 0.000 0.862 233 Q CB 0.014 28.830 28.738 0.130 0.000 0.915 233 Q HN 0.383 nan 8.270 nan 0.000 0.416 234 R N -0.247 120.375 120.500 0.203 0.000 2.075 234 R HA -0.033 4.311 4.340 0.006 0.000 0.232 234 R C 2.441 178.900 176.300 0.265 0.000 1.126 234 R CA 1.324 57.560 56.100 0.227 0.000 0.963 234 R CB -0.793 29.654 30.300 0.244 0.000 0.858 234 R HN 0.222 nan 8.270 nan 0.000 0.435 235 S N 0.109 116.003 115.700 0.324 0.000 2.356 235 S HA -0.125 4.349 4.470 0.006 0.000 0.223 235 S C 1.586 176.479 174.600 0.488 0.000 1.032 235 S CA 0.948 59.386 58.200 0.398 0.000 1.005 235 S CB -0.197 63.237 63.200 0.390 0.000 0.867 235 S HN 0.377 nan 8.310 nan 0.000 0.449 236 W N 1.696 123.157 121.300 0.268 0.000 2.363 236 W HA 0.105 4.768 4.660 0.006 0.000 0.296 236 W C 2.739 179.390 176.519 0.220 0.000 1.212 236 W CA 0.229 57.704 57.345 0.216 0.000 1.260 236 W CB -1.386 28.183 29.460 0.181 0.000 1.131 236 W HN 0.337 nan 8.180 nan 0.000 0.530 237 A N -0.367 122.739 122.820 0.476 0.000 1.902 237 A HA -0.215 4.108 4.320 0.006 0.000 0.217 237 A C 2.025 179.829 177.584 0.367 0.000 1.181 237 A CA 1.500 53.784 52.037 0.412 0.000 0.623 237 A CB -1.503 17.723 19.000 0.377 0.000 0.818 237 A HN 0.488 nan 8.150 nan 0.000 0.443 238 W N 0.610 121.998 121.300 0.147 0.000 2.378 238 W HA -0.125 4.539 4.660 0.006 0.000 0.313 238 W C 2.116 178.678 176.519 0.073 0.000 1.197 238 W CA 1.213 58.603 57.345 0.075 0.000 1.304 238 W CB -0.416 29.077 29.460 0.054 0.000 1.148 238 W HN 0.385 nan 8.180 nan 0.000 0.494 239 G N 0.889 109.789 108.800 0.166 0.000 2.513 239 G HA2 -0.356 3.608 3.960 0.006 0.000 0.219 239 G HA3 -0.356 3.608 3.960 0.006 0.000 0.219 239 G C 1.588 176.458 174.900 -0.050 0.000 1.160 239 G CA 1.922 47.042 45.100 0.034 0.000 0.767 239 G HN 0.416 nan 8.290 nan 0.000 0.571 240 A N 0.136 122.972 122.820 0.026 0.000 1.968 240 A HA 0.206 4.529 4.320 0.006 0.000 0.217 240 A C 2.369 179.794 177.584 -0.265 0.000 1.169 240 A CA 1.378 53.430 52.037 0.025 0.000 0.638 240 A CB -0.322 18.826 19.000 0.247 0.000 0.812 240 A HN 0.446 nan 8.150 nan 0.000 0.446 241 L N -0.480 120.350 121.223 -0.655 0.000 2.017 241 L HA -0.112 4.231 4.340 0.006 0.000 0.208 241 L C 2.266 178.758 176.870 -0.629 0.000 1.073 241 L CA 1.425 55.562 54.840 -1.171 0.000 0.745 241 L CB -0.222 41.366 42.059 -0.785 0.000 0.894 241 L HN 0.393 nan 8.230 nan 0.000 0.432 242 L N -0.279 120.624 121.223 -0.533 0.000 2.201 242 L HA -0.142 4.202 4.340 0.006 0.000 0.212 242 L C 2.775 179.514 176.870 -0.218 0.000 1.105 242 L CA 0.809 55.403 54.840 -0.411 0.000 0.775 242 L CB -0.790 41.003 42.059 -0.444 0.000 0.913 242 L HN 0.358 nan 8.230 nan 0.000 0.440 243 A N -0.132 122.583 122.820 -0.174 0.000 1.972 243 A HA -0.211 4.113 4.320 0.006 0.000 0.219 243 A C 1.851 179.375 177.584 -0.099 0.000 1.169 243 A CA 1.920 53.906 52.037 -0.086 0.000 0.635 243 A CB -0.323 18.654 19.000 -0.039 0.000 0.810 243 A HN 0.343 nan 8.150 nan 0.000 0.446 244 D N -0.931 119.382 120.400 -0.145 0.000 2.213 244 D HA -0.055 4.589 4.640 0.006 0.000 0.205 244 D C 2.154 178.294 176.300 -0.267 0.000 0.961 244 D CA 0.719 54.640 54.000 -0.130 0.000 0.853 244 D CB -0.236 40.552 40.800 -0.021 0.000 0.967 244 D HN 0.337 nan 8.370 nan 0.000 0.496 245 Q N -0.325 119.192 119.800 -0.471 0.000 2.046 245 Q HA -0.035 4.308 4.340 0.006 0.000 0.200 245 Q C 0.305 175.679 176.000 -1.043 0.000 0.975 245 Q CA 0.872 56.135 55.803 -0.901 0.000 0.836 245 Q CB -0.071 27.826 28.738 -1.402 0.000 0.896 245 Q HN 0.337 nan 8.270 nan 0.000 0.428 246 F N 0.507 120.319 119.950 -0.231 0.000 2.531 246 F HA 0.296 4.826 4.527 0.006 0.000 0.333 246 F C -1.678 174.059 175.800 -0.105 0.000 1.292 246 F CA -2.115 55.785 58.000 -0.167 0.000 1.184 246 F CB 1.119 39.998 39.000 -0.202 0.000 1.426 246 F HN -0.039 nan 8.300 nan 0.000 0.559 247 P HA -0.089 nan 4.420 nan 0.000 0.221 247 P C 1.256 178.557 177.300 0.002 0.000 1.150 247 P CA 1.276 64.370 63.100 -0.011 0.000 0.800 247 P CB 0.319 31.992 31.700 -0.044 0.000 0.787 248 R N -0.524 119.994 120.500 0.029 0.000 2.223 248 R HA 0.289 4.633 4.340 0.006 0.000 0.198 248 R C 1.103 177.505 176.300 0.169 0.000 0.984 248 R CA 0.016 56.098 56.100 -0.030 0.000 1.018 248 R CB -0.228 29.925 30.300 -0.244 0.000 0.945 248 R HN 0.084 nan 8.270 nan 0.000 0.479 249 A N 2.151 125.120 122.820 0.248 0.000 2.531 249 A HA 0.101 4.425 4.320 0.006 0.000 0.236 249 A C 0.339 177.936 177.584 0.021 0.000 1.062 249 A CA -0.096 52.023 52.037 0.137 0.000 0.760 249 A CB 0.098 19.090 19.000 -0.013 0.000 0.995 249 A HN 0.065 nan 8.150 nan 0.000 0.501 250 I N 2.226 122.710 120.570 -0.143 0.000 2.598 250 I HA 0.055 4.228 4.170 0.006 0.000 0.284 250 I C 0.840 176.983 176.117 0.044 0.000 1.140 250 I CA 0.577 61.809 61.300 -0.113 0.000 1.420 250 I CB -0.171 37.614 38.000 -0.358 0.000 1.387 250 I HN 0.608 nan 8.210 nan 0.000 0.553 251 R N 6.935 127.494 120.500 0.099 0.000 2.210 251 R HA 0.507 4.851 4.340 0.006 0.000 0.338 251 R C -0.527 175.907 176.300 0.224 0.000 1.062 251 R CA -0.517 55.665 56.100 0.137 0.000 0.902 251 R CB 0.573 30.938 30.300 0.108 0.000 1.050 251 R HN 0.482 nan 8.270 nan 0.000 0.461 252 L N 1.103 122.470 121.223 0.240 0.000 2.399 252 L HA 0.497 4.840 4.340 0.006 0.000 0.265 252 L C 0.501 177.511 176.870 0.233 0.000 1.089 252 L CA -0.520 54.489 54.840 0.281 0.000 0.802 252 L CB 1.661 43.869 42.059 0.249 0.000 1.180 252 L HN 0.531 nan 8.230 nan 0.000 0.454 253 S N -0.003 115.835 115.700 0.231 0.000 2.564 253 S HA 0.423 4.896 4.470 0.006 0.000 0.274 253 S C 0.411 175.098 174.600 0.145 0.000 1.124 253 S CA -0.797 57.528 58.200 0.209 0.000 0.869 253 S CB 1.562 64.908 63.200 0.244 0.000 1.105 253 S HN 0.584 nan 8.310 nan 0.000 0.472 254 I N 0.365 120.980 120.570 0.076 0.000 2.928 254 I HA 0.278 4.451 4.170 0.006 0.000 0.266 254 I C 0.383 176.432 176.117 -0.114 0.000 1.234 254 I CA 0.348 61.627 61.300 -0.036 0.000 1.483 254 I CB -0.264 37.717 38.000 -0.031 0.000 1.097 254 I HN 0.472 nan 8.210 nan 0.000 0.455 255 H N 3.353 122.527 119.070 0.174 0.000 2.481 255 H HA 0.407 4.966 4.556 0.006 0.000 0.339 255 H C -2.215 173.180 175.328 0.112 0.000 1.131 255 H CA -2.331 53.809 56.048 0.153 0.000 1.301 255 H CB 0.505 30.376 29.762 0.181 0.000 1.476 255 H HN 0.047 nan 8.280 nan 0.000 0.529 256 P HA -0.009 nan 4.420 nan 0.000 0.267 256 P C -0.358 177.083 177.300 0.235 0.000 1.200 256 P CA 0.032 63.266 63.100 0.223 0.000 0.772 256 P CB 0.979 32.863 31.700 0.308 0.000 0.855 257 Q N 1.925 121.744 119.800 0.032 0.000 2.372 257 Q HA 0.433 4.776 4.340 0.006 0.000 0.273 257 Q C -2.387 173.254 176.000 -0.598 0.000 1.078 257 Q CA -2.120 53.559 55.803 -0.207 0.000 0.806 257 Q CB 1.855 30.539 28.738 -0.090 0.000 1.332 257 Q HN 0.357 nan 8.270 nan 0.000 0.435 258 P HA 0.043 nan 4.420 nan 0.000 0.270 258 P C -0.003 177.110 177.300 -0.313 0.000 1.223 258 P CA 0.089 62.691 63.100 -0.830 0.000 0.785 258 P CB 0.627 31.968 31.700 -0.600 0.000 0.923 259 A N 1.769 124.490 122.820 -0.164 0.000 2.121 259 A HA -0.178 4.146 4.320 0.006 0.000 0.218 259 A C 1.354 178.926 177.584 -0.021 0.000 1.154 259 A CA 1.845 53.851 52.037 -0.051 0.000 0.679 259 A CB -1.287 17.713 19.000 0.001 0.000 0.795 259 A HN 0.697 nan 8.150 nan 0.000 0.458 260 D N -1.744 118.628 120.400 -0.046 0.000 2.349 260 D HA 0.176 4.820 4.640 0.006 0.000 0.214 260 D C 0.786 177.073 176.300 -0.022 0.000 1.063 260 D CA 0.433 54.421 54.000 -0.021 0.000 0.847 260 D CB -0.039 40.749 40.800 -0.021 0.000 0.933 260 D HN 0.151 nan 8.370 nan 0.000 0.513 261 S N -0.201 115.475 115.700 -0.040 0.000 2.592 261 S HA 0.146 4.620 4.470 0.006 0.000 0.271 261 S C 0.815 175.433 174.600 0.030 0.000 1.326 261 S CA -0.765 57.422 58.200 -0.021 0.000 1.024 261 S CB 0.856 64.027 63.200 -0.048 0.000 0.921 261 S HN 0.243 nan 8.310 nan 0.000 0.527 262 L N 3.109 124.352 121.223 0.034 0.000 2.313 262 L HA 0.302 4.646 4.340 0.006 0.000 0.214 262 L C 0.638 177.571 176.870 0.105 0.000 1.119 262 L CA 1.397 56.271 54.840 0.058 0.000 0.809 262 L CB -0.321 41.758 42.059 0.033 0.000 0.933 262 L HN 0.559 nan 8.230 nan 0.000 0.449 263 K N -0.660 119.805 120.400 0.108 0.000 2.218 263 K HA 0.222 4.546 4.320 0.006 0.000 0.276 263 K C -1.070 175.657 176.600 0.212 0.000 1.022 263 K CA -0.165 56.219 56.287 0.162 0.000 0.946 263 K CB 0.841 33.427 32.500 0.144 0.000 1.000 263 K HN -0.083 nan 8.250 nan 0.000 0.468 264 F N 1.646 121.657 119.950 0.102 0.000 2.434 264 F HA 0.396 4.927 4.527 0.006 0.000 0.355 264 F C 0.209 176.081 175.800 0.121 0.000 1.115 264 F CA -0.685 57.380 58.000 0.107 0.000 1.010 264 F CB 1.023 40.102 39.000 0.132 0.000 1.234 264 F HN 0.574 nan 8.300 nan 0.000 0.439 265 G N 7.074 115.785 108.800 -0.149 0.000 2.364 265 G HA2 0.424 4.388 3.960 0.006 0.000 0.267 265 G HA3 0.424 4.388 3.960 0.006 0.000 0.267 265 G C -1.073 173.765 174.900 -0.103 0.000 1.233 265 G CA -0.330 44.738 45.100 -0.054 0.000 0.885 265 G HN 0.770 nan 8.290 nan 0.000 0.490 266 I N 1.300 121.911 120.570 0.069 0.000 2.730 266 I HA 0.336 4.510 4.170 0.006 0.000 0.298 266 I C -0.315 175.857 176.117 0.091 0.000 1.089 266 I CA -1.137 60.267 61.300 0.173 0.000 1.041 266 I CB 1.981 40.193 38.000 0.353 0.000 1.235 266 I HN 0.450 nan 8.210 nan 0.000 0.423 267 H N 6.964 126.150 119.070 0.193 0.000 2.815 267 H HA 0.169 4.728 4.556 0.006 0.000 0.350 267 H C 0.407 175.837 175.328 0.169 0.000 1.080 267 H CA 0.202 56.306 56.048 0.094 0.000 1.433 267 H CB 1.470 31.251 29.762 0.032 0.000 1.432 267 H HN 0.520 nan 8.280 nan 0.000 0.592 268 M N 2.382 122.091 119.600 0.182 0.000 2.495 268 M HA 0.072 4.556 4.480 0.006 0.000 0.237 268 M C -0.125 176.275 176.300 0.166 0.000 1.131 268 M CA 0.331 55.751 55.300 0.200 0.000 1.032 268 M CB -0.255 32.358 32.600 0.021 0.000 1.513 268 M HN 0.454 nan 8.290 nan 0.000 0.488 269 M N 0.273 119.802 119.600 -0.119 0.000 2.446 269 M HA 0.361 4.844 4.480 0.006 0.000 0.294 269 M C -1.822 173.920 176.300 -0.930 0.000 1.158 269 M CA -1.959 53.098 55.300 -0.404 0.000 0.899 269 M CB 2.316 34.770 32.600 -0.242 0.000 1.687 269 M HN -0.315 nan 8.290 nan 0.000 0.455 270 P HA -0.060 nan 4.420 nan 0.000 0.225 270 P C 0.579 177.661 177.300 -0.363 0.000 1.148 270 P CA 1.236 63.738 63.100 -0.996 0.000 0.779 270 P CB -0.268 31.126 31.700 -0.510 0.000 0.780 271 T N -3.918 110.444 114.554 -0.319 0.000 3.081 271 T HA 0.120 4.474 4.350 0.006 0.000 0.255 271 T C 0.999 175.524 174.700 -0.292 0.000 1.113 271 T CA -0.272 61.700 62.100 -0.212 0.000 1.082 271 T CB -0.637 68.140 68.868 -0.152 0.000 0.939 271 T HN 0.051 nan 8.240 nan 0.000 0.506 272 R N 1.039 121.260 120.500 -0.465 0.000 3.641 272 R HA -0.121 4.222 4.340 0.006 0.000 0.286 272 R C -0.925 174.839 176.300 -0.893 0.000 1.153 272 R CA 0.965 56.512 56.100 -0.923 0.000 0.775 272 R CB -2.114 27.793 30.300 -0.654 0.000 1.215 272 R HN 0.458 nan 8.270 nan 0.000 0.474 273 D N 0.582 120.580 120.400 -0.670 0.000 2.582 273 D HA 0.001 4.644 4.640 0.006 0.000 0.246 273 D C -0.293 175.432 176.300 -0.958 0.000 1.334 273 D CA -0.022 53.570 54.000 -0.680 0.000 0.805 273 D CB 0.349 41.049 40.800 -0.168 0.000 1.087 273 D HN 0.323 nan 8.370 nan 0.000 0.499 274 D N 0.267 120.187 120.400 -0.799 0.000 2.352 274 D HA 0.017 4.660 4.640 0.006 0.000 0.245 274 D C 0.064 176.012 176.300 -0.587 0.000 1.224 274 D CA -0.550 53.137 54.000 -0.521 0.000 0.879 274 D CB 0.230 40.871 40.800 -0.264 0.000 1.057 274 D HN 0.168 nan 8.370 nan 0.000 0.491 275 W N 3.099 124.425 121.300 0.043 0.000 3.151 275 W HA 0.401 5.064 4.660 0.005 0.000 0.424 275 W C 0.052 176.583 176.519 0.020 0.000 1.012 275 W CA -0.766 56.605 57.345 0.045 0.000 2.018 275 W CB 0.419 29.903 29.460 0.041 0.000 1.087 275 W HN 0.222 nan 8.180 nan 0.000 0.740 276 L N 0.904 122.160 121.223 0.055 0.000 2.591 276 L HA 0.451 4.794 4.340 0.006 0.000 0.257 276 L C 0.178 176.912 176.870 -0.227 0.000 0.935 276 L CA -0.575 54.246 54.840 -0.032 0.000 0.873 276 L CB 1.701 43.757 42.059 -0.006 0.000 1.397 276 L HN -0.111 nan 8.230 nan 0.000 0.414 277 T N 0.522 114.806 114.554 -0.450 0.000 2.904 277 T HA 0.433 4.786 4.350 0.006 0.000 0.290 277 T C -2.085 172.092 174.700 -0.872 0.000 1.018 277 T CA -1.539 59.987 62.100 -0.957 0.000 1.075 277 T CB 1.302 69.007 68.868 -1.938 0.000 0.986 277 T HN 0.480 nan 8.240 nan 0.000 0.523 278 P HA -0.051 nan 4.420 nan 0.000 0.217 278 P C 0.872 178.102 177.300 -0.116 0.000 1.148 278 P CA 1.196 64.152 63.100 -0.240 0.000 0.828 278 P CB -0.205 31.529 31.700 0.056 0.000 0.783 279 W N -2.722 118.457 121.300 -0.202 0.000 3.180 279 W HA 0.160 4.823 4.660 0.005 0.000 0.254 279 W C 1.099 177.442 176.519 -0.294 0.000 1.318 279 W CA 0.207 57.413 57.345 -0.232 0.000 1.608 279 W CB -1.694 27.554 29.460 -0.354 0.000 1.124 279 W HN 0.141 nan 8.180 nan 0.000 0.694 280 H N -0.490 118.367 119.070 -0.355 0.000 2.784 280 H HA 0.453 5.013 4.556 0.006 0.000 0.273 280 H C 0.957 176.181 175.328 -0.172 0.000 1.112 280 H CA -0.098 55.774 56.048 -0.292 0.000 1.162 280 H CB 0.752 30.226 29.762 -0.480 0.000 1.586 280 H HN 0.169 nan 8.280 nan 0.000 0.548 281 G N 0.330 109.118 108.800 -0.019 0.000 2.782 281 G HA2 0.456 4.420 3.960 0.006 0.000 0.304 281 G HA3 0.456 4.420 3.960 0.006 0.000 0.304 281 G C -1.347 173.592 174.900 0.064 0.000 1.315 281 G CA -0.315 44.795 45.100 0.016 0.000 0.791 281 G HN 0.107 nan 8.290 nan 0.000 0.519 282 V N -2.318 117.658 119.914 0.104 0.000 2.769 282 V HA 0.888 5.011 4.120 0.006 0.000 0.312 282 V C 0.473 176.684 176.094 0.196 0.000 1.061 282 V CA -0.639 61.772 62.300 0.185 0.000 0.931 282 V CB 1.056 33.070 31.823 0.318 0.000 1.010 282 V HN 1.725 nan 8.190 nan 0.000 0.433 283 A N 3.104 126.057 122.820 0.222 0.000 2.425 283 A HA 0.686 5.009 4.320 0.006 0.000 0.249 283 A C -0.190 177.657 177.584 0.438 0.000 1.084 283 A CA -0.277 51.925 52.037 0.275 0.000 0.781 283 A CB 0.580 19.656 19.000 0.127 0.000 1.019 283 A HN 1.426 nan 8.150 nan 0.000 0.490 284 V N 3.832 123.995 119.914 0.415 0.000 2.447 284 V HA 0.185 4.308 4.120 0.006 0.000 0.292 284 V C -0.293 175.777 176.094 -0.039 0.000 1.021 284 V CA -0.905 61.549 62.300 0.256 0.000 0.850 284 V CB 1.563 33.477 31.823 0.151 0.000 1.005 284 V HN 0.928 nan 8.190 nan 0.000 0.426 285 N N 4.464 122.975 118.700 -0.315 0.000 2.405 285 N HA 0.607 5.350 4.740 0.006 0.000 0.260 285 N C -0.170 175.167 175.510 -0.288 0.000 1.152 285 N CA 0.643 53.246 53.050 -0.745 0.000 0.948 285 N CB 1.067 39.080 38.487 -0.790 0.000 1.111 285 N HN 1.023 nan 8.380 nan 0.000 0.485 286 T N 0.157 114.563 114.554 -0.247 0.000 3.041 286 T HA 0.533 4.887 4.350 0.006 0.000 0.321 286 T C 0.168 174.805 174.700 -0.104 0.000 1.184 286 T CA -0.116 61.912 62.100 -0.121 0.000 1.050 286 T CB 0.310 69.140 68.868 -0.063 0.000 1.159 286 T HN 0.577 nan 8.240 nan 0.000 0.469 287 E N 0.806 120.963 120.200 -0.073 0.000 2.199 287 E HA 0.234 4.587 4.350 0.006 0.000 0.208 287 E C 1.058 177.619 176.600 -0.064 0.000 1.310 287 E CA 2.168 58.536 56.400 -0.054 0.000 0.709 287 E CB -2.733 26.947 29.700 -0.035 0.000 1.127 287 E HN 2.724 nan 8.360 nan 0.000 0.354 288 D N -4.310 116.038 120.400 -0.087 0.000 2.837 288 D HA 0.326 4.970 4.640 0.006 0.000 0.230 288 D C 0.602 176.854 176.300 -0.079 0.000 1.152 288 D CA 2.735 56.687 54.000 -0.080 0.000 0.736 288 D CB -2.449 38.327 40.800 -0.041 0.000 1.084 288 D HN 2.585 nan 8.370 nan 0.000 0.429 289 R N -1.847 118.575 120.500 -0.130 0.000 2.766 289 R HA 0.897 5.240 4.340 0.006 0.000 0.270 289 R C -1.124 175.058 176.300 -0.196 0.000 1.035 289 R CA -0.196 55.855 56.100 -0.081 0.000 0.911 289 R CB 0.846 31.131 30.300 -0.025 0.000 1.243 289 R HN 0.773 nan 8.270 nan 0.000 0.460 290 F N 0.739 120.660 119.950 -0.048 0.000 2.443 290 F HA 0.690 5.221 4.527 0.006 0.000 0.335 290 F C 0.739 176.510 175.800 -0.048 0.000 1.104 290 F CA -0.360 57.610 58.000 -0.050 0.000 1.013 290 F CB 2.608 41.562 39.000 -0.077 0.000 1.136 290 F HN 0.608 nan 8.300 nan 0.000 0.470 291 V N 1.535 121.539 119.914 0.149 0.000 3.046 291 V HA 0.636 4.759 4.120 0.006 0.000 0.316 291 V C -0.817 175.340 176.094 0.105 0.000 1.104 291 V CA -1.191 61.159 62.300 0.083 0.000 1.006 291 V CB 1.970 33.823 31.823 0.050 0.000 1.058 291 V HN 0.588 nan 8.190 nan 0.000 0.440 292 L N 3.055 124.305 121.223 0.044 0.000 2.289 292 L HA 0.683 5.027 4.340 0.006 0.000 0.285 292 L C -0.120 176.778 176.870 0.047 0.000 1.049 292 L CA -0.154 54.709 54.840 0.039 0.000 0.804 292 L CB 1.413 43.456 42.059 -0.027 0.000 1.195 292 L HN 0.632 nan 8.230 nan 0.000 0.428 293 M N 1.709 121.342 119.600 0.055 0.000 2.618 293 M HA 0.408 4.891 4.480 0.006 0.000 0.281 293 M C -0.178 176.134 176.300 0.020 0.000 1.267 293 M CA -0.945 54.377 55.300 0.037 0.000 0.845 293 M CB 1.804 34.419 32.600 0.025 0.000 1.732 293 M HN 0.442 nan 8.290 nan 0.000 0.461 294 K N 0.795 121.196 120.400 0.001 0.000 2.416 294 K HA 0.140 4.463 4.320 0.006 0.000 0.283 294 K C 0.693 177.267 176.600 -0.042 0.000 1.037 294 K CA 0.192 56.470 56.287 -0.015 0.000 0.995 294 K CB -0.025 32.460 32.500 -0.025 0.000 0.938 294 K HN 0.878 nan 8.250 nan 0.000 0.475 295 R N 1.515 121.998 120.500 -0.029 0.000 2.096 295 R HA -0.211 4.132 4.340 0.006 0.000 0.240 295 R C 2.317 178.515 176.300 -0.170 0.000 1.139 295 R CA 2.815 58.866 56.100 -0.081 0.000 0.952 295 R CB -0.361 29.963 30.300 0.039 0.000 0.854 295 R HN 0.866 nan 8.270 nan 0.000 0.436 296 S N -0.099 115.547 115.700 -0.091 0.000 2.399 296 S HA -0.143 4.331 4.470 0.006 0.000 0.231 296 S C 1.665 176.207 174.600 -0.097 0.000 1.022 296 S CA 1.387 59.537 58.200 -0.084 0.000 0.983 296 S CB -0.207 62.964 63.200 -0.049 0.000 0.803 296 S HN 0.513 nan 8.310 nan 0.000 0.480 297 E N 0.738 120.884 120.200 -0.090 0.000 2.216 297 E HA -0.001 4.352 4.350 0.006 0.000 0.192 297 E C 2.025 178.563 176.600 -0.104 0.000 0.988 297 E CA 0.805 57.161 56.400 -0.074 0.000 0.834 297 E CB -0.197 29.476 29.700 -0.045 0.000 0.772 297 E HN 0.445 nan 8.360 nan 0.000 0.479 298 V N 1.470 121.281 119.914 -0.172 0.000 2.270 298 V HA -0.264 3.860 4.120 0.006 0.000 0.245 298 V C 2.333 178.274 176.094 -0.254 0.000 1.043 298 V CA 1.432 63.586 62.300 -0.244 0.000 1.014 298 V CB -0.552 30.988 31.823 -0.472 0.000 0.645 298 V HN 0.259 nan 8.190 nan 0.000 0.447 299 L N 0.435 121.478 121.223 -0.299 0.000 2.012 299 L HA -0.202 4.141 4.340 0.006 0.000 0.210 299 L C 3.037 179.849 176.870 -0.096 0.000 1.073 299 L CA 2.210 56.935 54.840 -0.192 0.000 0.748 299 L CB -1.059 40.911 42.059 -0.149 0.000 0.891 299 L HN 0.532 nan 8.230 nan 0.000 0.431 300 E N 0.422 120.573 120.200 -0.082 0.000 2.268 300 E HA -0.105 4.249 4.350 0.006 0.000 0.195 300 E C 1.910 178.486 176.600 -0.042 0.000 0.995 300 E CA 0.990 57.360 56.400 -0.049 0.000 0.836 300 E CB -0.660 29.016 29.700 -0.042 0.000 0.763 300 E HN 0.572 nan 8.360 nan 0.000 0.491 301 L N -0.850 120.342 121.223 -0.052 0.000 2.591 301 L HA 0.345 4.689 4.340 0.006 0.000 0.228 301 L C 1.629 178.482 176.870 -0.029 0.000 1.133 301 L CA 0.347 55.165 54.840 -0.037 0.000 0.880 301 L CB 0.273 42.310 42.059 -0.037 0.000 1.033 301 L HN 0.474 nan 8.230 nan 0.000 0.450 302 G N 0.564 109.345 108.800 -0.033 0.000 2.248 302 G HA2 -0.194 3.770 3.960 0.006 0.000 0.263 302 G HA3 -0.194 3.770 3.960 0.006 0.000 0.263 302 G C 0.427 175.327 174.900 0.001 0.000 1.082 302 G CA -0.145 44.947 45.100 -0.013 0.000 0.863 302 G HN 0.483 nan 8.290 nan 0.000 0.495 303 G N -1.037 107.752 108.800 -0.019 0.000 2.503 303 G HA2 0.765 4.728 3.960 0.006 0.000 0.257 303 G HA3 0.765 4.728 3.960 0.006 0.000 0.257 303 G C -0.042 174.956 174.900 0.163 0.000 1.214 303 G CA 0.778 45.903 45.100 0.041 0.000 0.839 303 G HN 1.423 nan 8.290 nan 0.000 0.559 304 E N 1.472 121.807 120.200 0.225 0.000 2.145 304 E HA 0.496 4.850 4.350 0.006 0.000 0.270 304 E C -0.287 176.412 176.600 0.164 0.000 0.906 304 E CA -1.029 55.481 56.400 0.183 0.000 0.761 304 E CB 1.608 31.356 29.700 0.079 0.000 1.116 304 E HN 0.758 nan 8.360 nan 0.000 0.408 305 L N 3.055 124.315 121.223 0.063 0.000 2.534 305 L HA 0.296 4.639 4.340 0.006 0.000 0.271 305 L C -0.366 176.346 176.870 -0.263 0.000 1.178 305 L CA 0.050 54.702 54.840 -0.314 0.000 0.907 305 L CB 0.716 42.620 42.059 -0.259 0.000 1.164 305 L HN 0.401 nan 8.230 nan 0.000 0.482 306 V N 5.877 125.546 119.914 -0.409 0.000 2.407 306 V HA 0.384 4.508 4.120 0.006 0.000 0.278 306 V C 0.161 176.033 176.094 -0.370 0.000 1.037 306 V CA -0.729 61.335 62.300 -0.394 0.000 0.900 306 V CB 1.292 32.751 31.823 -0.608 0.000 0.983 306 V HN 0.729 nan 8.190 nan 0.000 0.459 307 Q N 4.031 123.704 119.800 -0.212 0.000 2.222 307 Q HA 0.627 4.971 4.340 0.006 0.000 0.252 307 Q C -0.978 174.963 176.000 -0.099 0.000 0.926 307 Q CA -0.458 55.258 55.803 -0.145 0.000 0.899 307 Q CB 2.900 31.584 28.738 -0.091 0.000 1.250 307 Q HN 0.607 nan 8.270 nan 0.000 0.441 308 I N 2.717 123.251 120.570 -0.061 0.000 2.447 308 I HA 0.086 4.259 4.170 0.006 0.000 0.287 308 I C 0.146 176.255 176.117 -0.013 0.000 1.023 308 I CA -0.436 60.857 61.300 -0.013 0.000 1.083 308 I CB 1.283 39.304 38.000 0.036 0.000 1.245 308 I HN 0.713 nan 8.210 nan 0.000 0.434 309 N N 4.986 123.681 118.700 -0.009 0.000 2.701 309 N HA -0.291 4.453 4.740 0.006 0.000 0.257 309 N C 0.666 176.167 175.510 -0.015 0.000 0.969 309 N CA 0.942 53.986 53.050 -0.011 0.000 0.786 309 N CB -1.205 37.277 38.487 -0.008 0.000 0.917 309 N HN 1.158 nan 8.380 nan 0.000 0.541 310 G N -1.278 107.511 108.800 -0.020 0.000 2.232 310 G HA2 -0.286 3.678 3.960 0.006 0.000 0.226 310 G HA3 -0.286 3.678 3.960 0.006 0.000 0.226 310 G C -0.228 174.658 174.900 -0.024 0.000 0.996 310 G CA 0.386 45.474 45.100 -0.020 0.000 0.626 310 G HN 0.634 nan 8.290 nan 0.000 0.509 311 Q N 1.363 121.147 119.800 -0.028 0.000 2.342 311 Q HA 0.524 4.867 4.340 0.006 0.000 0.267 311 Q C -2.678 173.292 176.000 -0.051 0.000 1.038 311 Q CA -2.236 53.549 55.803 -0.030 0.000 0.832 311 Q CB 2.818 31.543 28.738 -0.021 0.000 1.323 311 Q HN 0.195 nan 8.270 nan 0.000 0.448 312 P HA -0.061 nan 4.420 nan 0.000 0.267 312 P C -0.301 176.946 177.300 -0.089 0.000 1.205 312 P CA 0.427 63.465 63.100 -0.104 0.000 0.765 312 P CB 1.627 33.272 31.700 -0.091 0.000 0.828 313 S N 2.059 117.676 115.700 -0.139 0.000 3.039 313 S HA 0.128 4.602 4.470 0.006 0.000 0.251 313 S C 0.391 175.029 174.600 0.063 0.000 1.064 313 S CA 0.080 58.267 58.200 -0.023 0.000 0.822 313 S CB 0.024 63.239 63.200 0.025 0.000 0.802 313 S HN 0.768 nan 8.310 nan 0.000 0.519 314 H N -1.957 117.056 119.070 -0.096 0.000 2.863 314 H HA 0.413 4.972 4.556 0.006 0.000 0.274 314 H C -1.982 173.223 175.328 -0.206 0.000 1.457 314 H CA -0.691 55.342 56.048 -0.025 0.000 1.151 314 H CB 0.076 29.965 29.762 0.210 0.000 1.844 314 H HN 0.279 nan 8.280 nan 0.000 0.562 315 Y N -0.079 120.377 120.300 0.261 0.000 2.509 315 Y HA 0.555 5.108 4.550 0.006 0.000 0.341 315 Y C 0.512 176.519 175.900 0.178 0.000 1.038 315 Y CA -0.860 57.317 58.100 0.129 0.000 1.089 315 Y CB 2.139 40.651 38.460 0.086 0.000 1.241 315 Y HN 0.408 nan 8.280 nan 0.000 0.468 316 R N 2.376 123.016 120.500 0.234 0.000 2.562 316 R HA 0.601 4.945 4.340 0.006 0.000 0.298 316 R C -1.780 174.572 176.300 0.087 0.000 0.961 316 R CA -0.625 55.545 56.100 0.117 0.000 0.881 316 R CB 0.989 31.330 30.300 0.068 0.000 1.159 316 R HN 0.755 nan 8.270 nan 0.000 0.450 317 L N 4.879 126.121 121.223 0.031 0.000 2.309 317 L HA 0.544 4.887 4.340 0.006 0.000 0.282 317 L C -1.388 175.481 176.870 -0.001 0.000 1.036 317 L CA -1.145 53.704 54.840 0.015 0.000 0.806 317 L CB 1.646 43.705 42.059 0.000 0.000 1.220 317 L HN 0.674 nan 8.230 nan 0.000 0.429 318 P HA 0.000 nan 4.420 nan 0.000 0.216 318 P CA 0.000 63.100 63.100 -0.001 0.000 0.800 318 P CB 0.000 31.702 31.700 0.004 0.000 0.726