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 3ebl_1_C DATA FIRST_RESID 16 DATA SEQUENCE VPLHTWVLIS NFKLSYNILR RADGTFERDL GEYLDRRVPA NARPLEGVSS DATA SEQUENCE FDHIIDQSVG LEVRIYRAXX XXXXXXXXXX XXXXXXXXXX XXXXXXXFPV DATA SEQUENCE IIFFHGGSFV HSSASSTIYD SLCRRFVKLS KGVVVSVNYR RAPEHRYPCA DATA SEQUENCE YDDGWTALKW VMSQPFMRXX XXXXARVFLS GDSSGGNIAH HVAVRAADEG DATA SEQUENCE VKVCGNILLN AMFGGTERTE SERRLDGKYF VTLQDRDWYW KAYLPEDADR DATA SEQUENCE DHPACNPFGP NGRRLGGLPF AKSLIIVSGL DLTCDRQLAY ADALREDGHH DATA SEQUENCE VKVVQCENAT VGFYLLPNTV HYHEVMEEIS DFLNAN 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 16 V HA 0.000 nan 4.120 nan 0.000 0.244 16 V C 0.000 176.237 176.094 0.238 0.000 1.182 16 V CA 0.000 62.461 62.300 0.268 0.000 1.235 16 V CB 0.000 32.104 31.823 0.469 0.000 1.184 17 P HA 0.212 nan 4.420 nan 0.000 0.266 17 P C 0.813 178.267 177.300 0.257 0.000 1.195 17 P CA -0.299 62.905 63.100 0.173 0.000 0.768 17 P CB 0.753 32.527 31.700 0.123 0.000 0.838 18 L N 3.261 124.631 121.223 0.245 0.000 2.043 18 L HA -0.246 4.095 4.340 0.002 0.000 0.212 18 L C 1.830 178.894 176.870 0.323 0.000 1.075 18 L CA 2.170 57.168 54.840 0.263 0.000 0.752 18 L CB -0.963 41.206 42.059 0.182 0.000 0.891 18 L HN 0.434 nan 8.230 nan 0.000 0.432 19 H N -1.356 117.780 119.070 0.110 0.000 2.389 19 H HA -0.057 4.500 4.556 0.002 0.000 0.299 19 H C 2.147 177.512 175.328 0.062 0.000 1.081 19 H CA 1.745 57.833 56.048 0.066 0.000 1.345 19 H CB -0.722 29.048 29.762 0.015 0.000 1.393 19 H HN 0.350 nan 8.280 nan 0.000 0.520 20 T N -0.482 114.210 114.554 0.230 0.000 2.737 20 T HA -0.179 4.172 4.350 0.002 0.000 0.265 20 T C 1.765 176.533 174.700 0.113 0.000 1.038 20 T CA 1.131 63.307 62.100 0.127 0.000 1.144 20 T CB -0.519 68.454 68.868 0.173 0.000 0.866 20 T HN 0.448 nan 8.240 nan 0.000 0.434 21 W N 1.542 122.933 121.300 0.153 0.000 2.335 21 W HA -0.190 4.471 4.660 0.002 0.000 0.311 21 W C 2.213 178.760 176.519 0.047 0.000 1.213 21 W CA 0.943 58.429 57.345 0.235 0.000 1.274 21 W CB -0.573 29.045 29.460 0.263 0.000 1.148 21 W HN -0.052 nan 8.180 nan 0.000 0.498 22 V N 0.396 120.479 119.914 0.282 0.000 2.307 22 V HA -0.289 3.832 4.120 0.002 0.000 0.245 22 V C 2.107 178.121 176.094 -0.133 0.000 1.045 22 V CA 1.842 64.205 62.300 0.105 0.000 1.024 22 V CB -1.155 30.728 31.823 0.101 0.000 0.651 22 V HN 0.256 nan 8.190 nan 0.000 0.449 23 L N -0.050 121.100 121.223 -0.122 0.000 1.994 23 L HA -0.117 4.225 4.340 0.002 0.000 0.208 23 L C 2.211 178.968 176.870 -0.189 0.000 1.071 23 L CA 2.084 56.836 54.840 -0.147 0.000 0.745 23 L CB -0.558 41.456 42.059 -0.075 0.000 0.892 23 L HN 0.164 nan 8.230 nan 0.000 0.431 24 I N -0.862 119.468 120.570 -0.400 0.000 2.315 24 I HA -0.167 4.005 4.170 0.002 0.000 0.248 24 I C 2.468 178.168 176.117 -0.695 0.000 1.117 24 I CA 1.113 62.031 61.300 -0.637 0.000 1.404 24 I CB -1.670 35.581 38.000 -1.249 0.000 1.071 24 I HN 0.242 nan 8.210 nan 0.000 0.419 25 S N 1.286 116.516 115.700 -0.784 0.000 2.399 25 S HA -0.172 4.300 4.470 0.002 0.000 0.231 25 S C 1.862 176.239 174.600 -0.372 0.000 1.022 25 S CA 1.278 59.127 58.200 -0.587 0.000 0.983 25 S CB -0.373 62.297 63.200 -0.884 0.000 0.803 25 S HN 0.460 nan 8.310 nan 0.000 0.480 26 N N 0.947 119.438 118.700 -0.349 0.000 2.120 26 N HA -0.044 4.697 4.740 0.002 0.000 0.188 26 N C 1.348 176.614 175.510 -0.407 0.000 1.024 26 N CA 1.269 54.117 53.050 -0.336 0.000 0.852 26 N CB -0.429 37.835 38.487 -0.371 0.000 1.003 26 N HN 0.341 nan 8.380 nan 0.000 0.424 27 F N 1.603 121.258 119.950 -0.492 0.000 2.102 27 F HA -0.057 4.471 4.527 0.002 0.000 0.298 27 F C 2.508 177.836 175.800 -0.787 0.000 1.105 27 F CA 1.233 58.761 58.000 -0.788 0.000 1.239 27 F CB -0.463 38.023 39.000 -0.857 0.000 0.991 27 F HN 0.058 nan 8.300 nan 0.000 0.474 28 K N 0.798 121.021 120.400 -0.295 0.000 2.020 28 K HA -0.218 4.104 4.320 0.002 0.000 0.212 28 K C 2.018 178.570 176.600 -0.081 0.000 1.050 28 K CA 1.840 58.034 56.287 -0.155 0.000 0.929 28 K CB -0.530 31.917 32.500 -0.087 0.000 0.714 28 K HN 0.277 nan 8.250 nan 0.000 0.443 29 L N 0.403 121.560 121.223 -0.111 0.000 2.141 29 L HA -0.128 4.213 4.340 0.002 0.000 0.209 29 L C 2.713 179.566 176.870 -0.029 0.000 1.094 29 L CA 0.908 55.713 54.840 -0.059 0.000 0.763 29 L CB -0.416 41.598 42.059 -0.075 0.000 0.908 29 L HN 0.266 nan 8.230 nan 0.000 0.437 30 S N -0.997 114.666 115.700 -0.060 0.000 2.356 30 S HA -0.172 4.300 4.470 0.002 0.000 0.223 30 S C 2.056 176.784 174.600 0.213 0.000 1.032 30 S CA 1.163 59.382 58.200 0.031 0.000 1.005 30 S CB -0.198 62.990 63.200 -0.019 0.000 0.867 30 S HN 0.328 nan 8.310 nan 0.000 0.449 31 Y N 2.320 122.627 120.300 0.012 0.000 2.293 31 Y HA 0.072 4.623 4.550 0.002 0.000 0.291 31 Y C 2.341 178.266 175.900 0.042 0.000 1.137 31 Y CA 0.256 58.401 58.100 0.076 0.000 1.202 31 Y CB -1.251 37.209 38.460 -0.001 0.000 0.990 31 Y HN 0.276 nan 8.280 nan 0.000 0.537 32 N N 0.834 119.627 118.700 0.154 0.000 2.137 32 N HA -0.186 4.556 4.740 0.002 0.000 0.190 32 N C 1.796 177.297 175.510 -0.016 0.000 1.017 32 N CA 1.890 54.962 53.050 0.038 0.000 0.859 32 N CB -0.588 37.912 38.487 0.021 0.000 1.002 32 N HN 0.607 nan 8.380 nan 0.000 0.428 33 I N -2.786 117.786 120.570 0.003 0.000 3.603 33 I HA 0.110 4.281 4.170 0.002 0.000 0.297 33 I C 1.395 177.456 176.117 -0.092 0.000 1.269 33 I CA 0.502 61.778 61.300 -0.040 0.000 1.361 33 I CB -0.065 37.919 38.000 -0.026 0.000 1.063 33 I HN -0.094 nan 8.210 nan 0.000 0.448 34 L N 0.636 121.804 121.223 -0.092 0.000 2.307 34 L HA 0.208 4.549 4.340 0.002 0.000 0.211 34 L C 1.093 177.751 176.870 -0.352 0.000 1.099 34 L CA 0.243 54.905 54.840 -0.296 0.000 0.816 34 L CB -0.358 41.530 42.059 -0.285 0.000 0.952 34 L HN 0.115 nan 8.230 nan 0.000 0.455 35 R N 1.693 122.021 120.500 -0.287 0.000 2.316 35 R HA 0.237 4.578 4.340 0.002 0.000 0.314 35 R C -0.302 175.818 176.300 -0.300 0.000 1.069 35 R CA -0.140 55.594 56.100 -0.611 0.000 0.959 35 R CB 0.523 30.016 30.300 -1.344 0.000 0.987 35 R HN 0.191 nan 8.270 nan 0.000 0.446 36 R N 1.606 122.128 120.500 0.036 0.000 2.457 36 R HA 0.230 4.571 4.340 0.002 0.000 0.284 36 R C 0.928 177.395 176.300 0.278 0.000 1.024 36 R CA -0.294 55.878 56.100 0.120 0.000 1.025 36 R CB 1.095 31.474 30.300 0.132 0.000 1.063 36 R HN 0.663 nan 8.270 nan 0.000 0.493 37 A N 1.926 124.850 122.820 0.173 0.000 2.024 37 A HA -0.202 4.119 4.320 0.002 0.000 0.220 37 A C 1.318 179.032 177.584 0.217 0.000 1.164 37 A CA 1.880 54.040 52.037 0.204 0.000 0.643 37 A CB -0.471 18.594 19.000 0.109 0.000 0.806 37 A HN 0.870 nan 8.150 nan 0.000 0.451 38 D N -1.926 118.578 120.400 0.172 0.000 2.352 38 D HA 0.249 4.890 4.640 0.002 0.000 0.232 38 D C 1.156 177.515 176.300 0.097 0.000 1.055 38 D CA 0.914 54.981 54.000 0.112 0.000 0.891 38 D CB -0.722 40.122 40.800 0.074 0.000 0.897 38 D HN 0.777 nan 8.370 nan 0.000 0.529 39 G N -0.205 108.711 108.800 0.192 0.000 2.179 39 G HA2 -0.281 3.680 3.960 0.002 0.000 0.260 39 G HA3 -0.281 3.680 3.960 0.002 0.000 0.260 39 G C 0.532 175.457 174.900 0.042 0.000 0.977 39 G CA 0.725 45.791 45.100 -0.057 0.000 0.641 39 G HN 0.815 nan 8.290 nan 0.000 0.533 40 T N -2.207 112.483 114.554 0.227 0.000 2.849 40 T HA 0.751 5.103 4.350 0.002 0.000 0.276 40 T C -0.382 174.599 174.700 0.469 0.000 0.971 40 T CA -0.467 61.782 62.100 0.248 0.000 0.949 40 T CB 2.453 71.406 68.868 0.142 0.000 1.093 40 T HN 1.085 nan 8.240 nan 0.000 0.545 41 F N 0.007 120.070 119.950 0.187 0.000 2.578 41 F HA 0.408 4.936 4.527 0.002 0.000 0.311 41 F C -0.289 175.558 175.800 0.079 0.000 1.094 41 F CA -1.116 56.988 58.000 0.173 0.000 0.923 41 F CB 2.057 41.173 39.000 0.193 0.000 1.230 41 F HN 0.551 nan 8.300 nan 0.000 0.450 42 E N 4.621 124.362 120.200 -0.764 0.000 1.999 42 E HA 0.001 4.353 4.350 0.002 0.000 0.296 42 E C 1.080 177.354 176.600 -0.544 0.000 1.187 42 E CA 0.033 56.107 56.400 -0.544 0.000 1.229 42 E CB 0.161 29.592 29.700 -0.449 0.000 1.131 42 E HN 0.551 nan 8.360 nan 0.000 0.478 43 R N 1.677 122.103 120.500 -0.124 0.000 2.066 43 R HA -0.127 4.215 4.340 0.002 0.000 0.232 43 R C 1.047 177.403 176.300 0.093 0.000 1.131 43 R CA 1.641 57.846 56.100 0.174 0.000 0.955 43 R CB -0.064 30.395 30.300 0.266 0.000 0.851 43 R HN 0.151 nan 8.270 nan 0.000 0.432 44 D N -0.124 120.299 120.400 0.038 0.000 2.117 44 D HA -0.136 4.505 4.640 0.002 0.000 0.197 44 D C 1.714 178.051 176.300 0.061 0.000 0.987 44 D CA 1.058 55.087 54.000 0.049 0.000 0.829 44 D CB -0.245 40.563 40.800 0.013 0.000 0.961 44 D HN 0.162 nan 8.370 nan 0.000 0.460 45 L N 0.623 121.846 121.223 -0.002 0.000 2.027 45 L HA 0.051 4.393 4.340 0.002 0.000 0.206 45 L C 2.204 179.136 176.870 0.105 0.000 1.074 45 L CA 2.016 56.868 54.840 0.020 0.000 0.745 45 L CB -1.089 40.929 42.059 -0.069 0.000 0.898 45 L HN 0.080 nan 8.230 nan 0.000 0.433 46 G N -0.968 107.861 108.800 0.047 0.000 2.476 46 G HA2 -0.263 3.699 3.960 0.002 0.000 0.218 46 G HA3 -0.263 3.699 3.960 0.002 0.000 0.218 46 G C 1.443 176.465 174.900 0.202 0.000 1.164 46 G CA 0.771 45.971 45.100 0.166 0.000 0.768 46 G HN 0.461 nan 8.290 nan 0.000 0.560 47 E N -0.263 120.046 120.200 0.182 0.000 2.051 47 E HA -0.160 4.191 4.350 0.002 0.000 0.192 47 E C 2.116 178.795 176.600 0.131 0.000 0.991 47 E CA 1.014 57.502 56.400 0.147 0.000 0.799 47 E CB -0.403 29.374 29.700 0.129 0.000 0.748 47 E HN 0.593 nan 8.360 nan 0.000 0.449 48 Y N 1.255 121.576 120.300 0.036 0.000 2.207 48 Y HA -0.162 4.390 4.550 0.002 0.000 0.287 48 Y C 2.073 177.982 175.900 0.014 0.000 1.156 48 Y CA 1.386 59.496 58.100 0.017 0.000 1.182 48 Y CB -0.110 38.352 38.460 0.004 0.000 0.979 48 Y HN -0.066 nan 8.280 nan 0.000 0.521 49 L N -0.190 121.104 121.223 0.118 0.000 2.558 49 L HA 0.062 4.403 4.340 0.002 0.000 0.225 49 L C 0.307 177.166 176.870 -0.017 0.000 1.128 49 L CA 0.001 54.858 54.840 0.027 0.000 0.868 49 L CB -0.323 41.805 42.059 0.116 0.000 1.006 49 L HN 0.062 nan 8.230 nan 0.000 0.454 50 D N 1.151 121.569 120.400 0.030 0.000 2.382 50 D HA 0.016 4.657 4.640 0.002 0.000 0.245 50 D C 0.224 176.505 176.300 -0.032 0.000 1.120 50 D CA -0.064 53.967 54.000 0.052 0.000 0.890 50 D CB 0.744 41.611 40.800 0.111 0.000 1.201 50 D HN -0.076 nan 8.370 nan 0.000 0.433 51 R N 3.133 123.610 120.500 -0.039 0.000 2.202 51 R HA 0.453 4.795 4.340 0.002 0.000 0.334 51 R C -0.398 175.888 176.300 -0.024 0.000 1.036 51 R CA -0.415 55.645 56.100 -0.067 0.000 0.878 51 R CB 0.378 30.613 30.300 -0.108 0.000 1.067 51 R HN 0.461 nan 8.270 nan 0.000 0.457 52 R N 2.330 122.810 120.500 -0.034 0.000 2.836 52 R HA 0.523 4.864 4.340 0.002 0.000 0.269 52 R C -1.160 175.126 176.300 -0.023 0.000 1.010 52 R CA -1.018 55.074 56.100 -0.014 0.000 0.930 52 R CB 2.390 32.683 30.300 -0.011 0.000 1.218 52 R HN 0.462 nan 8.270 nan 0.000 0.473 53 V N -1.406 118.503 119.914 -0.009 0.000 3.007 53 V HA 0.684 4.805 4.120 0.002 0.000 0.311 53 V C -2.530 173.554 176.094 -0.016 0.000 1.120 53 V CA -2.192 60.099 62.300 -0.015 0.000 0.980 53 V CB 1.862 33.680 31.823 -0.009 0.000 1.033 53 V HN 0.679 nan 8.190 nan 0.000 0.429 54 P HA 0.484 nan 4.420 nan 0.000 0.276 54 P C -0.189 177.073 177.300 -0.063 0.000 1.252 54 P CA -0.107 62.969 63.100 -0.040 0.000 0.802 54 P CB 1.266 32.942 31.700 -0.040 0.000 1.035 55 A N 1.733 124.499 122.820 -0.090 0.000 2.406 55 A HA 0.321 4.643 4.320 0.002 0.000 0.243 55 A C 0.317 177.796 177.584 -0.174 0.000 1.082 55 A CA 0.112 52.051 52.037 -0.165 0.000 0.786 55 A CB -0.466 18.429 19.000 -0.176 0.000 1.029 55 A HN 0.682 nan 8.150 nan 0.000 0.495 56 N N -0.545 117.995 118.700 -0.266 0.000 2.537 56 N HA 0.393 5.135 4.740 0.002 0.000 0.281 56 N C 0.310 175.606 175.510 -0.358 0.000 1.097 56 N CA 0.195 53.105 53.050 -0.234 0.000 0.964 56 N CB 1.817 40.222 38.487 -0.136 0.000 1.588 56 N HN 0.585 nan 8.380 nan 0.000 0.511 57 A N 3.346 125.980 122.820 -0.311 0.000 1.933 57 A HA -0.082 4.239 4.320 0.002 0.000 0.218 57 A C 1.190 178.703 177.584 -0.118 0.000 1.175 57 A CA 0.830 52.708 52.037 -0.265 0.000 0.628 57 A CB -0.203 18.820 19.000 0.039 0.000 0.814 57 A HN 0.644 nan 8.150 nan 0.000 0.444 58 R N 0.998 121.452 120.500 -0.078 0.000 2.484 58 R HA 0.136 4.478 4.340 0.002 0.000 0.293 58 R C -2.780 173.486 176.300 -0.057 0.000 1.023 58 R CA -1.349 54.725 56.100 -0.043 0.000 1.037 58 R CB 0.153 30.434 30.300 -0.031 0.000 0.951 58 R HN 0.107 nan 8.270 nan 0.000 0.418 59 P HA 0.061 nan 4.420 nan 0.000 0.276 59 P C -1.054 176.236 177.300 -0.018 0.000 1.230 59 P CA -0.381 62.705 63.100 -0.024 0.000 0.776 59 P CB 0.778 32.478 31.700 -0.000 0.000 0.888 60 L N 2.537 123.751 121.223 -0.015 0.000 2.296 60 L HA 0.320 4.661 4.340 0.002 0.000 0.286 60 L C 0.271 177.141 176.870 0.001 0.000 1.023 60 L CA -0.134 54.700 54.840 -0.009 0.000 0.812 60 L CB 0.298 42.350 42.059 -0.012 0.000 1.223 60 L HN 0.437 nan 8.230 nan 0.000 0.421 61 E N 4.648 124.849 120.200 0.001 0.000 2.103 61 E HA -0.287 4.064 4.350 0.002 0.000 0.186 61 E C 1.039 177.646 176.600 0.012 0.000 1.392 61 E CA 0.748 57.152 56.400 0.007 0.000 0.691 61 E CB -1.333 28.371 29.700 0.007 0.000 1.068 61 E HN 1.210 nan 8.360 nan 0.000 0.328 62 G N -1.485 107.323 108.800 0.013 0.000 2.176 62 G HA2 -0.329 3.632 3.960 0.002 0.000 0.253 62 G HA3 -0.329 3.632 3.960 0.002 0.000 0.253 62 G C 0.251 175.168 174.900 0.027 0.000 0.979 62 G CA 0.154 45.265 45.100 0.018 0.000 0.641 62 G HN 0.405 nan 8.290 nan 0.000 0.530 63 V N 0.771 120.703 119.914 0.030 0.000 2.540 63 V HA 0.779 4.900 4.120 0.002 0.000 0.302 63 V C 0.184 176.295 176.094 0.028 0.000 1.035 63 V CA -0.335 61.997 62.300 0.053 0.000 0.873 63 V CB 1.886 33.756 31.823 0.078 0.000 0.992 63 V HN 0.310 nan 8.190 nan 0.000 0.428 64 S N 2.239 117.948 115.700 0.014 0.000 2.664 64 S HA 0.872 5.344 4.470 0.002 0.000 0.304 64 S C -0.233 174.211 174.600 -0.260 0.000 1.099 64 S CA -0.632 57.484 58.200 -0.139 0.000 1.003 64 S CB 1.960 65.084 63.200 -0.127 0.000 1.092 64 S HN 1.018 nan 8.310 nan 0.000 0.525 65 S N 0.668 115.985 115.700 -0.639 0.000 2.569 65 S HA 0.852 5.324 4.470 0.002 0.000 0.280 65 S C -1.558 172.400 174.600 -1.069 0.000 1.111 65 S CA -0.789 56.976 58.200 -0.725 0.000 0.887 65 S CB 0.814 63.646 63.200 -0.613 0.000 1.095 65 S HN 0.455 nan 8.310 nan 0.000 0.476 66 F N 0.295 120.121 119.950 -0.206 0.000 2.573 66 F HA 0.430 4.959 4.527 0.002 0.000 0.316 66 F C -0.513 175.226 175.800 -0.101 0.000 1.148 66 F CA -0.736 57.200 58.000 -0.107 0.000 0.940 66 F CB 1.742 40.710 39.000 -0.055 0.000 1.214 66 F HN 0.458 nan 8.300 nan 0.000 0.448 67 D N 1.148 121.595 120.400 0.078 0.000 2.255 67 D HA 0.321 4.962 4.640 0.002 0.000 0.249 67 D C -0.922 175.459 176.300 0.135 0.000 1.078 67 D CA 0.208 54.238 54.000 0.051 0.000 0.896 67 D CB 1.167 41.968 40.800 0.002 0.000 1.194 67 D HN 0.627 nan 8.370 nan 0.000 0.429 68 H N 1.002 120.037 119.070 -0.059 0.000 3.099 68 H HA 0.285 4.843 4.556 0.002 0.000 0.342 68 H C -1.182 174.044 175.328 -0.170 0.000 1.054 68 H CA -0.626 55.368 56.048 -0.090 0.000 1.328 68 H CB 0.538 30.250 29.762 -0.083 0.000 1.876 68 H HN 0.138 nan 8.280 nan 0.000 0.495 69 I N 7.458 127.655 120.570 -0.622 0.000 2.416 69 I HA 0.073 4.244 4.170 0.002 0.000 0.288 69 I C 1.471 177.169 176.117 -0.700 0.000 1.051 69 I CA 0.092 61.093 61.300 -0.497 0.000 1.375 69 I CB 0.643 38.468 38.000 -0.293 0.000 1.407 69 I HN 0.756 nan 8.210 nan 0.000 0.516 70 I N 0.865 121.123 120.570 -0.520 0.000 4.057 70 I HA 0.367 4.539 4.170 0.002 0.000 0.334 70 I C -0.005 175.984 176.117 -0.213 0.000 1.308 70 I CA 0.278 61.268 61.300 -0.517 0.000 1.125 70 I CB 0.494 37.989 38.000 -0.842 0.000 1.034 70 I HN 0.345 nan 8.210 nan 0.000 0.401 71 D N 1.283 121.585 120.400 -0.163 0.000 2.319 71 D HA 0.162 4.804 4.640 0.002 0.000 0.237 71 D C 0.544 176.805 176.300 -0.066 0.000 1.353 71 D CA -0.216 53.741 54.000 -0.072 0.000 0.992 71 D CB 1.241 42.019 40.800 -0.036 0.000 1.368 71 D HN 0.175 nan 8.370 nan 0.000 0.564 72 Q N 0.869 120.638 119.800 -0.052 0.000 2.124 72 Q HA -0.131 4.211 4.340 0.002 0.000 0.202 72 Q C 1.698 177.685 176.000 -0.020 0.000 0.977 72 Q CA 1.382 57.161 55.803 -0.041 0.000 0.850 72 Q CB 0.048 28.769 28.738 -0.028 0.000 0.901 72 Q HN 0.483 nan 8.270 nan 0.000 0.429 73 S N -0.025 115.670 115.700 -0.008 0.000 2.402 73 S HA -0.137 4.335 4.470 0.002 0.000 0.233 73 S C 1.656 176.258 174.600 0.004 0.000 1.030 73 S CA 1.366 59.568 58.200 0.004 0.000 1.003 73 S CB 0.080 63.288 63.200 0.013 0.000 0.813 73 S HN 0.275 nan 8.310 nan 0.000 0.477 74 V N -0.175 119.735 119.914 -0.007 0.000 3.432 74 V HA 0.454 4.575 4.120 0.002 0.000 0.298 74 V C 0.999 177.077 176.094 -0.027 0.000 1.464 74 V CA 0.611 62.905 62.300 -0.011 0.000 1.046 74 V CB -0.139 31.677 31.823 -0.012 0.000 0.887 74 V HN 0.725 nan 8.190 nan 0.000 0.441 75 G N 1.610 110.391 108.800 -0.032 0.000 2.273 75 G HA2 -0.249 3.712 3.960 0.002 0.000 0.280 75 G HA3 -0.249 3.712 3.960 0.002 0.000 0.280 75 G C -0.158 174.705 174.900 -0.061 0.000 1.047 75 G CA 0.656 45.730 45.100 -0.044 0.000 0.869 75 G HN 0.584 nan 8.290 nan 0.000 0.502 76 L N 0.281 121.461 121.223 -0.071 0.000 2.319 76 L HA 0.732 5.073 4.340 0.002 0.000 0.280 76 L C 0.288 177.084 176.870 -0.124 0.000 1.099 76 L CA -0.266 54.529 54.840 -0.074 0.000 0.828 76 L CB 0.983 43.014 42.059 -0.048 0.000 1.150 76 L HN 0.350 nan 8.230 nan 0.000 0.442 77 E N 3.516 123.655 120.200 -0.103 0.000 2.277 77 E HA 0.713 5.064 4.350 0.002 0.000 0.266 77 E C -1.546 174.989 176.600 -0.107 0.000 0.901 77 E CA -0.916 55.404 56.400 -0.132 0.000 0.782 77 E CB 2.081 31.727 29.700 -0.090 0.000 1.228 77 E HN 0.523 nan 8.360 nan 0.000 0.424 78 V N 0.301 120.133 119.914 -0.137 0.000 3.001 78 V HA 0.696 4.817 4.120 0.002 0.000 0.314 78 V C -0.903 175.169 176.094 -0.036 0.000 1.099 78 V CA -1.047 61.204 62.300 -0.082 0.000 0.989 78 V CB 1.836 33.564 31.823 -0.158 0.000 1.040 78 V HN 0.726 nan 8.190 nan 0.000 0.434 79 R N 2.183 122.687 120.500 0.008 0.000 2.393 79 R HA 0.749 5.091 4.340 0.002 0.000 0.315 79 R C -1.456 174.793 176.300 -0.086 0.000 0.952 79 R CA -0.665 55.386 56.100 -0.082 0.000 0.842 79 R CB 1.410 31.626 30.300 -0.139 0.000 1.163 79 R HN 0.858 nan 8.270 nan 0.000 0.450 80 I N 4.832 125.356 120.570 -0.076 0.000 2.359 80 I HA 0.284 4.455 4.170 0.002 0.000 0.294 80 I C -0.899 175.191 176.117 -0.044 0.000 0.987 80 I CA -0.513 60.842 61.300 0.093 0.000 1.225 80 I CB 1.097 39.238 38.000 0.234 0.000 1.366 80 I HN 0.536 nan 8.210 nan 0.000 0.466 81 Y N 4.332 124.741 120.300 0.181 0.000 2.429 81 Y HA 0.791 5.342 4.550 0.002 0.000 0.342 81 Y C 0.221 176.212 175.900 0.151 0.000 1.004 81 Y CA -0.774 57.404 58.100 0.131 0.000 1.075 81 Y CB 1.776 40.282 38.460 0.076 0.000 1.214 81 Y HN 0.321 nan 8.280 nan 0.000 0.455 82 R N 0.167 120.830 120.500 0.273 0.000 2.707 82 R HA 0.895 5.236 4.340 0.002 0.000 0.272 82 R C -0.591 175.785 176.300 0.126 0.000 1.011 82 R CA -0.918 55.291 56.100 0.182 0.000 0.893 82 R CB 1.530 31.942 30.300 0.186 0.000 1.233 82 R HN 0.940 nan 8.270 nan 0.000 0.464 114 P HA 0.468 nan 4.420 nan 0.000 0.282 114 P C -1.254 176.158 177.300 0.186 0.000 1.249 114 P CA -0.442 62.748 63.100 0.149 0.000 0.806 114 P CB 2.307 34.065 31.700 0.096 0.000 0.984 115 V N 4.290 124.301 119.914 0.162 0.000 2.334 115 V HA 0.287 4.409 4.120 0.002 0.000 0.281 115 V C 0.470 176.713 176.094 0.249 0.000 1.016 115 V CA -0.512 61.907 62.300 0.199 0.000 0.832 115 V CB 0.906 32.793 31.823 0.107 0.000 0.999 115 V HN 0.398 nan 8.190 nan 0.000 0.439 116 I N 6.195 126.905 120.570 0.234 0.000 2.297 116 I HA 0.380 4.552 4.170 0.002 0.000 0.291 116 I C -0.039 176.218 176.117 0.234 0.000 1.033 116 I CA -0.081 61.361 61.300 0.237 0.000 1.253 116 I CB 1.031 39.128 38.000 0.161 0.000 1.396 116 I HN 0.425 nan 8.210 nan 0.000 0.476 117 I N 6.802 127.487 120.570 0.193 0.000 2.337 117 I HA 0.187 4.358 4.170 0.002 0.000 0.291 117 I C -0.446 175.647 176.117 -0.041 0.000 1.046 117 I CA -0.178 61.153 61.300 0.053 0.000 1.324 117 I CB 0.465 38.479 38.000 0.023 0.000 1.409 117 I HN 0.425 nan 8.210 nan 0.000 0.494 118 F N 7.980 127.771 119.950 -0.265 0.000 2.469 118 F HA 0.579 5.108 4.527 0.002 0.000 0.332 118 F C -1.273 174.259 175.800 -0.447 0.000 1.103 118 F CA -0.906 56.981 58.000 -0.189 0.000 0.979 118 F CB 1.098 40.117 39.000 0.031 0.000 1.137 118 F HN 0.130 nan 8.300 nan 0.000 0.463 119 F N 5.141 124.512 119.950 -0.964 0.000 2.403 119 F HA 0.296 4.824 4.527 0.002 0.000 0.355 119 F C -0.097 174.944 175.800 -1.266 0.000 1.119 119 F CA -0.884 56.655 58.000 -0.769 0.000 1.007 119 F CB 0.528 39.238 39.000 -0.483 0.000 1.194 119 F HN 0.579 nan 8.300 nan 0.000 0.443 120 H N 0.646 119.280 119.070 -0.728 0.000 2.852 120 H HA 0.501 5.059 4.556 0.002 0.000 0.362 120 H C 0.602 175.581 175.328 -0.582 0.000 1.122 120 H CA -0.398 55.081 56.048 -0.949 0.000 1.419 120 H CB 0.291 29.505 29.762 -0.913 0.000 1.401 120 H HN 0.687 nan 8.280 nan 0.000 0.609 121 G N -0.583 107.949 108.800 -0.447 0.000 2.494 121 G HA2 0.422 4.383 3.960 0.002 0.000 0.270 121 G HA3 0.422 4.383 3.960 0.002 0.000 0.270 121 G C 0.702 175.655 174.900 0.088 0.000 1.423 121 G CA -0.818 44.216 45.100 -0.110 0.000 1.055 121 G HN 1.587 nan 8.290 nan 0.000 0.536 122 G N -2.686 106.122 108.800 0.013 0.000 2.159 122 G HA2 0.075 4.036 3.960 0.002 0.000 0.170 122 G HA3 0.075 4.036 3.960 0.002 0.000 0.170 122 G C 0.578 175.372 174.900 -0.177 0.000 1.007 122 G CA 0.547 45.669 45.100 0.036 0.000 0.672 122 G HN 1.794 nan 8.290 nan 0.000 0.507 123 S N -1.643 113.827 115.700 -0.383 0.000 3.635 123 S HA -0.282 4.190 4.470 0.002 0.000 0.328 123 S C 1.225 175.626 174.600 -0.331 0.000 1.135 123 S CA 1.343 59.210 58.200 -0.555 0.000 0.942 123 S CB -1.813 60.834 63.200 -0.922 0.000 0.930 123 S HN 1.799 nan 8.310 nan 0.000 0.512 124 F N -4.382 115.404 119.950 -0.274 0.000 2.705 124 F HA -0.316 4.212 4.527 0.002 0.000 0.413 124 F C 1.361 177.096 175.800 -0.108 0.000 0.588 124 F CA 1.112 58.981 58.000 -0.219 0.000 1.187 124 F CB -1.564 37.160 39.000 -0.461 0.000 1.737 124 F HN 0.361 nan 8.300 nan 0.000 0.285 125 V N -2.044 117.829 119.914 -0.068 0.000 3.219 125 V HA 0.154 4.275 4.120 0.002 0.000 0.240 125 V C 1.017 176.794 176.094 -0.528 0.000 1.222 125 V CA 0.811 62.904 62.300 -0.344 0.000 1.181 125 V CB 0.117 31.713 31.823 -0.377 0.000 0.941 125 V HN 0.224 nan 8.190 nan 0.000 0.471 126 H N -0.206 118.742 119.070 -0.203 0.000 2.615 126 H HA 0.690 5.247 4.556 0.002 0.000 0.346 126 H C 0.237 175.534 175.328 -0.051 0.000 1.200 126 H CA 0.321 56.273 56.048 -0.159 0.000 1.264 126 H CB 1.774 31.372 29.762 -0.273 0.000 1.699 126 H HN 0.284 nan 8.280 nan 0.000 0.567 127 S N -0.086 115.676 115.700 0.104 0.000 3.914 127 S HA -0.123 4.349 4.470 0.002 0.000 0.674 127 S C -0.174 174.114 174.600 -0.519 0.000 1.528 127 S CA 0.497 58.650 58.200 -0.078 0.000 1.636 127 S CB -0.676 62.568 63.200 0.072 0.000 0.356 127 S HN 1.079 nan 8.310 nan 0.000 1.280 128 S N -0.624 114.706 115.700 -0.617 0.000 2.643 128 S HA 0.833 5.305 4.470 0.002 0.000 0.270 128 S C 0.667 175.071 174.600 -0.327 0.000 1.166 128 S CA 0.211 58.066 58.200 -0.575 0.000 0.815 128 S CB 1.066 64.153 63.200 -0.189 0.000 1.139 128 S HN 2.032 nan 8.310 nan 0.000 0.472 129 A N 1.169 123.956 122.820 -0.056 0.000 2.067 129 A HA 0.096 4.418 4.320 0.002 0.000 0.219 129 A C 2.093 179.760 177.584 0.139 0.000 1.158 129 A CA 1.866 53.983 52.037 0.133 0.000 0.661 129 A CB -1.241 17.853 19.000 0.157 0.000 0.801 129 A HN 1.573 nan 8.150 nan 0.000 0.452 130 S N -0.588 115.147 115.700 0.058 0.000 2.562 130 S HA 0.106 4.577 4.470 0.002 0.000 0.221 130 S C 0.744 175.382 174.600 0.064 0.000 0.975 130 S CA 0.301 58.535 58.200 0.057 0.000 0.918 130 S CB -0.401 62.808 63.200 0.015 0.000 0.772 130 S HN 0.265 nan 8.310 nan 0.000 0.531 131 S N 2.729 118.475 115.700 0.078 0.000 2.546 131 S HA 0.111 4.582 4.470 0.002 0.000 0.290 131 S C 1.229 175.872 174.600 0.072 0.000 1.290 131 S CA -0.029 58.225 58.200 0.091 0.000 1.069 131 S CB 0.781 64.080 63.200 0.166 0.000 0.846 131 S HN 0.513 nan 8.310 nan 0.000 0.495 132 T N 3.793 118.359 114.554 0.021 0.000 2.720 132 T HA -0.177 4.174 4.350 0.002 0.000 0.268 132 T C 1.873 176.533 174.700 -0.067 0.000 1.037 132 T CA 1.837 63.928 62.100 -0.015 0.000 1.144 132 T CB -0.570 68.278 68.868 -0.033 0.000 0.864 132 T HN 0.809 nan 8.240 nan 0.000 0.444 133 I N -1.674 118.816 120.570 -0.132 0.000 2.361 133 I HA -0.161 4.010 4.170 0.002 0.000 0.251 133 I C 2.082 177.971 176.117 -0.380 0.000 1.133 133 I CA 1.651 62.772 61.300 -0.297 0.000 1.413 133 I CB -0.650 37.085 38.000 -0.442 0.000 1.073 133 I HN 0.126 nan 8.210 nan 0.000 0.424 134 Y N 1.297 121.585 120.300 -0.021 0.000 2.347 134 Y HA -0.043 4.508 4.550 0.002 0.000 0.294 134 Y C 2.283 178.093 175.900 -0.150 0.000 1.117 134 Y CA 1.112 59.187 58.100 -0.041 0.000 1.184 134 Y CB -0.724 37.837 38.460 0.169 0.000 1.047 134 Y HN 0.251 nan 8.280 nan 0.000 0.546 135 D N -0.701 119.741 120.400 0.069 0.000 2.123 135 D HA -0.209 4.433 4.640 0.002 0.000 0.196 135 D C 2.420 178.632 176.300 -0.147 0.000 0.992 135 D CA 1.676 55.701 54.000 0.042 0.000 0.833 135 D CB -0.052 40.827 40.800 0.131 0.000 0.954 135 D HN 0.153 nan 8.370 nan 0.000 0.455 136 S N -1.036 114.582 115.700 -0.137 0.000 2.368 136 S HA -0.141 4.331 4.470 0.002 0.000 0.225 136 S C 1.898 176.336 174.600 -0.270 0.000 1.030 136 S CA 0.857 58.959 58.200 -0.164 0.000 0.999 136 S CB -0.430 62.694 63.200 -0.128 0.000 0.844 136 S HN 0.330 nan 8.310 nan 0.000 0.459 137 L N 1.591 122.594 121.223 -0.366 0.000 2.017 137 L HA 0.001 4.343 4.340 0.002 0.000 0.208 137 L C 2.551 178.860 176.870 -0.935 0.000 1.073 137 L CA 1.922 56.390 54.840 -0.620 0.000 0.745 137 L CB -1.177 40.483 42.059 -0.665 0.000 0.894 137 L HN 0.473 nan 8.230 nan 0.000 0.432 138 C N -0.379 118.388 119.300 -0.888 0.000 2.413 138 C HA -0.144 4.317 4.460 0.002 0.000 0.276 138 C C 2.768 177.352 174.990 -0.677 0.000 1.248 138 C CA 0.907 59.370 59.018 -0.925 0.000 1.742 138 C CB -1.154 25.834 27.740 -1.252 0.000 2.017 138 C HN 0.510 nan 8.230 nan 0.000 0.481 139 R N 0.433 120.598 120.500 -0.558 0.000 2.091 139 R HA -0.117 4.225 4.340 0.002 0.000 0.238 139 R C 2.456 178.686 176.300 -0.117 0.000 1.136 139 R CA 1.374 57.331 56.100 -0.239 0.000 0.959 139 R CB -0.302 29.923 30.300 -0.124 0.000 0.856 139 R HN 0.571 nan 8.270 nan 0.000 0.437 140 R N -0.412 120.006 120.500 -0.137 0.000 2.091 140 R HA -0.126 4.216 4.340 0.002 0.000 0.238 140 R C 2.075 178.452 176.300 0.128 0.000 1.136 140 R CA 1.375 57.468 56.100 -0.012 0.000 0.959 140 R CB -0.267 30.021 30.300 -0.021 0.000 0.856 140 R HN 0.139 nan 8.270 nan 0.000 0.437 141 F N 0.220 120.072 119.950 -0.164 0.000 2.171 141 F HA -0.137 4.391 4.527 0.002 0.000 0.300 141 F C 2.343 178.090 175.800 -0.089 0.000 1.090 141 F CA 0.544 58.456 58.000 -0.147 0.000 1.293 141 F CB -0.885 37.991 39.000 -0.207 0.000 1.013 141 F HN -0.211 nan 8.300 nan 0.000 0.486 142 V N 0.128 120.110 119.914 0.112 0.000 2.261 142 V HA -0.296 3.825 4.120 0.002 0.000 0.246 142 V C 2.370 178.501 176.094 0.061 0.000 1.047 142 V CA 1.809 64.159 62.300 0.084 0.000 1.015 142 V CB -0.610 31.264 31.823 0.086 0.000 0.642 142 V HN 0.233 nan 8.190 nan 0.000 0.446 143 K N 0.143 120.575 120.400 0.053 0.000 2.103 143 K HA -0.190 4.132 4.320 0.002 0.000 0.207 143 K C 1.954 178.578 176.600 0.039 0.000 1.048 143 K CA 1.829 58.142 56.287 0.043 0.000 0.930 143 K CB -0.351 32.175 32.500 0.043 0.000 0.716 143 K HN 0.539 nan 8.250 nan 0.000 0.444 144 L N -1.401 119.849 121.223 0.044 0.000 2.446 144 L HA 0.098 4.439 4.340 0.002 0.000 0.219 144 L C 1.871 178.731 176.870 -0.017 0.000 1.116 144 L CA 1.243 56.094 54.840 0.018 0.000 0.844 144 L CB -0.121 41.948 42.059 0.017 0.000 0.970 144 L HN -0.034 nan 8.230 nan 0.000 0.457 145 S N -1.769 113.921 115.700 -0.016 0.000 2.502 145 S HA 0.109 4.580 4.470 0.002 0.000 0.215 145 S C 0.826 175.432 174.600 0.011 0.000 1.009 145 S CA -0.257 57.919 58.200 -0.041 0.000 0.908 145 S CB -0.284 62.875 63.200 -0.069 0.000 0.801 145 S HN 0.383 nan 8.310 nan 0.000 0.505 146 K N 1.326 121.743 120.400 0.027 0.000 3.012 146 K HA -0.129 4.192 4.320 0.002 0.000 0.259 146 K C 0.486 177.124 176.600 0.063 0.000 0.989 146 K CA 0.909 57.215 56.287 0.033 0.000 0.728 146 K CB -2.524 29.991 32.500 0.024 0.000 1.260 146 K HN 0.665 nan 8.250 nan 0.000 0.480 147 G N -1.065 107.798 108.800 0.104 0.000 3.262 147 G HA2 0.659 4.621 3.960 0.002 0.000 0.229 147 G HA3 0.659 4.621 3.960 0.002 0.000 0.229 147 G C -0.852 174.170 174.900 0.204 0.000 1.280 147 G CA -0.503 44.740 45.100 0.238 0.000 0.951 147 G HN 0.021 nan 8.290 nan 0.000 0.589 148 V N -0.053 120.060 119.914 0.332 0.000 2.513 148 V HA 0.558 4.680 4.120 0.002 0.000 0.299 148 V C -0.379 175.886 176.094 0.285 0.000 1.035 148 V CA -0.581 61.896 62.300 0.295 0.000 0.889 148 V CB 1.592 33.633 31.823 0.363 0.000 0.988 148 V HN 0.447 nan 8.190 nan 0.000 0.440 149 V N 4.965 125.062 119.914 0.306 0.000 2.459 149 V HA 0.464 4.585 4.120 0.002 0.000 0.295 149 V C -0.283 176.045 176.094 0.390 0.000 1.029 149 V CA -0.586 61.904 62.300 0.317 0.000 0.874 149 V CB 1.943 33.903 31.823 0.228 0.000 0.985 149 V HN 0.587 nan 8.190 nan 0.000 0.438 150 V N 3.857 123.959 119.914 0.313 0.000 2.284 150 V HA 0.317 4.439 4.120 0.002 0.000 0.274 150 V C 0.336 176.550 176.094 0.201 0.000 1.023 150 V CA -0.166 62.297 62.300 0.270 0.000 0.808 150 V CB 1.493 33.474 31.823 0.263 0.000 1.035 150 V HN 0.871 nan 8.190 nan 0.000 0.445 151 S N 4.566 120.434 115.700 0.281 0.000 2.465 151 S HA 0.525 4.996 4.470 0.002 0.000 0.279 151 S C -0.292 174.376 174.600 0.113 0.000 1.201 151 S CA -0.410 57.949 58.200 0.264 0.000 1.053 151 S CB 0.904 64.388 63.200 0.473 0.000 0.953 151 S HN 0.455 nan 8.310 nan 0.000 0.488 152 V N 6.588 126.494 119.914 -0.013 0.000 2.407 152 V HA 0.303 4.425 4.120 0.002 0.000 0.278 152 V C 0.522 176.697 176.094 0.136 0.000 1.037 152 V CA -0.851 61.465 62.300 0.027 0.000 0.900 152 V CB 1.282 33.099 31.823 -0.009 0.000 0.983 152 V HN 0.807 nan 8.190 nan 0.000 0.459 153 N N 4.683 123.435 118.700 0.086 0.000 3.124 153 N HA 0.141 4.882 4.740 0.002 0.000 0.284 153 N C -0.318 175.213 175.510 0.034 0.000 1.209 153 N CA -0.098 52.976 53.050 0.041 0.000 1.149 153 N CB 0.163 38.651 38.487 0.000 0.000 1.434 153 N HN 0.751 nan 8.380 nan 0.000 0.529 154 Y N -0.490 119.863 120.300 0.088 0.000 2.426 154 Y HA 0.214 4.765 4.550 0.002 0.000 0.344 154 Y C 0.727 176.629 175.900 0.003 0.000 1.256 154 Y CA -0.906 57.218 58.100 0.039 0.000 1.451 154 Y CB 0.406 38.885 38.460 0.030 0.000 1.342 154 Y HN 0.033 nan 8.280 nan 0.000 0.600 155 R N 2.748 123.317 120.500 0.114 0.000 2.537 155 R HA 0.280 4.622 4.340 0.002 0.000 0.280 155 R C -0.452 175.954 176.300 0.176 0.000 1.058 155 R CA -0.207 55.858 56.100 -0.059 0.000 1.057 155 R CB 0.424 30.447 30.300 -0.462 0.000 0.973 155 R HN 0.733 nan 8.270 nan 0.000 0.438 156 R N 1.193 121.803 120.500 0.183 0.000 2.664 156 R HA 0.425 4.767 4.340 0.002 0.000 0.286 156 R C -0.345 176.090 176.300 0.225 0.000 0.967 156 R CA -0.687 55.537 56.100 0.207 0.000 0.933 156 R CB 1.903 32.236 30.300 0.054 0.000 1.146 156 R HN 0.623 nan 8.270 nan 0.000 0.468 157 A N 3.193 126.130 122.820 0.194 0.000 2.327 157 A HA 0.245 4.567 4.320 0.002 0.000 0.255 157 A C -1.633 175.932 177.584 -0.032 0.000 1.099 157 A CA -1.089 51.017 52.037 0.115 0.000 0.801 157 A CB -0.141 18.964 19.000 0.176 0.000 1.062 157 A HN 0.599 nan 8.150 nan 0.000 0.496 158 P HA 0.033 nan 4.420 nan 0.000 0.245 158 P C 0.319 177.591 177.300 -0.046 0.000 1.212 158 P CA 0.695 63.769 63.100 -0.045 0.000 0.774 158 P CB 0.288 31.940 31.700 -0.079 0.000 0.999 159 E N -0.577 119.593 120.200 -0.049 0.000 2.152 159 E HA -0.090 4.261 4.350 0.002 0.000 0.192 159 E C 0.064 176.444 176.600 -0.367 0.000 0.983 159 E CA 1.064 57.347 56.400 -0.196 0.000 0.818 159 E CB -0.520 29.041 29.700 -0.232 0.000 0.758 159 E HN 0.530 nan 8.360 nan 0.000 0.467 160 H N -0.031 119.049 119.070 0.018 0.000 2.887 160 H HA 0.364 4.921 4.556 0.002 0.000 0.300 160 H C -0.313 175.021 175.328 0.009 0.000 1.038 160 H CA -0.606 55.450 56.048 0.013 0.000 1.352 160 H CB 0.839 30.627 29.762 0.044 0.000 1.473 160 H HN -0.099 nan 8.280 nan 0.000 0.503 161 R N 0.834 121.338 120.500 0.007 0.000 2.531 161 R HA 0.147 4.489 4.340 0.002 0.000 0.260 161 R C -0.276 175.824 176.300 -0.334 0.000 1.144 161 R CA -1.036 54.968 56.100 -0.160 0.000 1.171 161 R CB 0.700 30.877 30.300 -0.205 0.000 1.199 161 R HN 0.526 nan 8.270 nan 0.000 0.594 162 Y N 2.756 122.449 120.300 -1.011 0.000 2.904 162 Y HA -0.053 4.499 4.550 0.003 0.000 0.336 162 Y C -1.719 173.933 175.900 -0.414 0.000 1.263 162 Y CA -0.647 56.843 58.100 -1.016 0.000 1.547 162 Y CB 0.516 38.294 38.460 -1.136 0.000 1.272 162 Y HN 0.362 nan 8.280 nan 0.000 0.596 163 P HA 0.230 nan 4.420 nan 0.000 0.285 163 P C 0.475 177.539 177.300 -0.393 0.000 1.758 163 P CA -0.034 62.461 63.100 -1.008 0.000 1.278 163 P CB -0.240 30.737 31.700 -1.205 0.000 1.620 164 C N 0.553 119.720 119.300 -0.222 0.000 2.376 164 C HA -0.170 4.292 4.460 0.002 0.000 0.275 164 C C 2.931 177.907 174.990 -0.023 0.000 1.200 164 C CA 1.821 60.799 59.018 -0.067 0.000 1.756 164 C CB -1.647 26.100 27.740 0.012 0.000 2.050 164 C HN 0.379 nan 8.230 nan 0.000 0.460 165 A N -0.662 122.144 122.820 -0.024 0.000 1.908 165 A HA -0.195 4.127 4.320 0.002 0.000 0.218 165 A C 1.916 179.462 177.584 -0.063 0.000 1.181 165 A CA 1.762 53.753 52.037 -0.076 0.000 0.627 165 A CB -1.027 17.810 19.000 -0.272 0.000 0.818 165 A HN 0.762 nan 8.150 nan 0.000 0.445 166 Y N 0.083 120.350 120.300 -0.054 0.000 2.145 166 Y HA -0.246 4.306 4.550 0.002 0.000 0.286 166 Y C 2.426 178.331 175.900 0.007 0.000 1.145 166 Y CA 0.535 58.593 58.100 -0.070 0.000 1.148 166 Y CB -0.296 38.117 38.460 -0.078 0.000 0.981 166 Y HN 0.280 nan 8.280 nan 0.000 0.507 167 D N 0.317 120.807 120.400 0.151 0.000 2.123 167 D HA -0.170 4.471 4.640 0.002 0.000 0.196 167 D C 1.521 177.948 176.300 0.212 0.000 0.992 167 D CA 1.529 55.627 54.000 0.163 0.000 0.833 167 D CB -0.465 40.381 40.800 0.075 0.000 0.954 167 D HN 0.377 nan 8.370 nan 0.000 0.455 168 D N -0.176 120.320 120.400 0.160 0.000 2.144 168 D HA -0.065 4.576 4.640 0.002 0.000 0.200 168 D C 2.158 178.619 176.300 0.269 0.000 0.978 168 D CA 1.193 55.302 54.000 0.182 0.000 0.833 168 D CB -0.590 40.314 40.800 0.173 0.000 0.961 168 D HN 0.281 nan 8.370 nan 0.000 0.470 169 G N 0.031 109.001 108.800 0.282 0.000 2.408 169 G HA2 -0.239 3.722 3.960 0.002 0.000 0.217 169 G HA3 -0.239 3.722 3.960 0.002 0.000 0.217 169 G C 1.485 176.633 174.900 0.413 0.000 1.150 169 G CA 0.262 45.605 45.100 0.406 0.000 0.776 169 G HN 0.309 nan 8.290 nan 0.000 0.542 170 W N 1.652 123.038 121.300 0.144 0.000 2.354 170 W HA -0.175 4.486 4.660 0.002 0.000 0.315 170 W C 2.355 178.960 176.519 0.143 0.000 1.206 170 W CA 1.831 59.250 57.345 0.123 0.000 1.290 170 W CB -0.463 29.045 29.460 0.080 0.000 1.152 170 W HN 0.232 nan 8.180 nan 0.000 0.489 171 T N 1.407 116.047 114.554 0.144 0.000 2.685 171 T HA -0.264 4.088 4.350 0.002 0.000 0.268 171 T C 1.933 176.666 174.700 0.056 0.000 1.034 171 T CA 2.396 64.520 62.100 0.041 0.000 1.149 171 T CB -0.824 68.104 68.868 0.100 0.000 0.860 171 T HN 0.286 nan 8.240 nan 0.000 0.449 172 A N 1.040 123.941 122.820 0.135 0.000 1.898 172 A HA 0.032 4.353 4.320 0.002 0.000 0.216 172 A C 2.240 179.937 177.584 0.188 0.000 1.181 172 A CA 1.290 53.434 52.037 0.178 0.000 0.620 172 A CB -0.771 18.341 19.000 0.187 0.000 0.819 172 A HN 0.401 nan 8.150 nan 0.000 0.442 173 L N 0.613 121.892 121.223 0.094 0.000 1.970 173 L HA -0.175 4.167 4.340 0.002 0.000 0.212 173 L C 2.432 179.232 176.870 -0.116 0.000 1.071 173 L CA 2.886 57.727 54.840 0.001 0.000 0.751 173 L CB -0.969 41.063 42.059 -0.045 0.000 0.889 173 L HN 0.226 nan 8.230 nan 0.000 0.432 174 K N -1.025 119.183 120.400 -0.320 0.000 2.089 174 K HA -0.294 4.027 4.320 0.002 0.000 0.210 174 K C 1.709 178.263 176.600 -0.078 0.000 1.048 174 K CA 1.839 57.947 56.287 -0.299 0.000 0.926 174 K CB -1.710 30.533 32.500 -0.427 0.000 0.714 174 K HN 0.774 nan 8.250 nan 0.000 0.448 175 W N 0.643 121.866 121.300 -0.128 0.000 2.335 175 W HA -0.234 4.427 4.660 0.002 0.000 0.311 175 W C 1.905 178.401 176.519 -0.037 0.000 1.213 175 W CA 1.459 58.773 57.345 -0.051 0.000 1.274 175 W CB -0.524 28.935 29.460 -0.001 0.000 1.148 175 W HN -0.014 nan 8.180 nan 0.000 0.498 176 V N 1.292 121.261 119.914 0.091 0.000 2.287 176 V HA -0.396 3.725 4.120 0.002 0.000 0.248 176 V C 2.407 178.349 176.094 -0.254 0.000 1.053 176 V CA 2.161 64.392 62.300 -0.114 0.000 1.027 176 V CB -0.944 30.944 31.823 0.110 0.000 0.646 176 V HN 0.190 nan 8.190 nan 0.000 0.447 177 M N 0.024 119.517 119.600 -0.178 0.000 2.082 177 M HA -0.183 4.299 4.480 0.002 0.000 0.258 177 M C 2.410 178.578 176.300 -0.221 0.000 1.071 177 M CA 2.074 57.267 55.300 -0.178 0.000 1.103 177 M CB -1.835 30.673 32.600 -0.154 0.000 1.307 177 M HN 0.370 nan 8.290 nan 0.000 0.409 178 S N 0.238 115.786 115.700 -0.254 0.000 2.441 178 S HA -0.115 4.356 4.470 0.002 0.000 0.242 178 S C 0.812 175.218 174.600 -0.323 0.000 1.018 178 S CA 0.764 58.808 58.200 -0.260 0.000 0.988 178 S CB -0.318 62.733 63.200 -0.249 0.000 0.778 178 S HN 0.468 nan 8.310 nan 0.000 0.498 179 Q N 0.676 120.205 119.800 -0.452 0.000 2.294 179 Q HA 0.254 4.595 4.340 0.002 0.000 0.257 179 Q C -1.921 173.931 176.000 -0.247 0.000 0.955 179 Q CA -2.211 53.328 55.803 -0.441 0.000 0.936 179 Q CB 0.565 28.874 28.738 -0.714 0.000 1.188 179 Q HN 0.102 nan 8.270 nan 0.000 0.420 180 P HA -0.194 nan 4.420 nan 0.000 0.216 180 P C 1.457 178.719 177.300 -0.063 0.000 1.153 180 P CA 1.869 64.908 63.100 -0.102 0.000 0.858 180 P CB -0.096 31.553 31.700 -0.084 0.000 0.789 181 F N -1.156 118.750 119.950 -0.075 0.000 2.161 181 F HA -0.209 4.319 4.527 0.002 0.000 0.300 181 F C 2.154 178.018 175.800 0.107 0.000 1.089 181 F CA 1.778 59.771 58.000 -0.012 0.000 1.282 181 F CB -1.704 37.264 39.000 -0.053 0.000 1.010 181 F HN -0.115 nan 8.300 nan 0.000 0.485 182 M N -0.204 119.415 119.600 0.032 0.000 2.349 182 M HA 0.005 4.486 4.480 0.002 0.000 0.266 182 M C 1.398 177.674 176.300 -0.041 0.000 1.076 182 M CA 0.541 55.889 55.300 0.080 0.000 1.126 182 M CB -0.936 31.621 32.600 -0.071 0.000 1.392 182 M HN 0.283 nan 8.290 nan 0.000 0.440 191 R N 0.999 121.338 120.500 -0.268 0.000 2.565 191 R HA 0.649 4.990 4.340 0.002 0.000 0.286 191 R C -0.233 176.000 176.300 -0.111 0.000 1.256 191 R CA 0.242 56.225 56.100 -0.194 0.000 1.238 191 R CB 0.392 30.599 30.300 -0.157 0.000 1.153 191 R HN 2.020 nan 8.270 nan 0.000 0.553 192 V N 3.705 123.509 119.914 -0.183 0.000 2.439 192 V HA 0.817 4.939 4.120 0.002 0.000 0.282 192 V C -0.939 175.016 176.094 -0.232 0.000 1.039 192 V CA -0.874 61.375 62.300 -0.085 0.000 0.913 192 V CB 0.870 32.659 31.823 -0.056 0.000 0.983 192 V HN 0.649 nan 8.190 nan 0.000 0.460 193 F N 6.052 126.015 119.950 0.022 0.000 2.508 193 F HA 0.631 5.159 4.527 0.002 0.000 0.325 193 F C -0.015 175.852 175.800 0.113 0.000 1.090 193 F CA -0.781 57.258 58.000 0.066 0.000 0.945 193 F CB 1.881 40.930 39.000 0.082 0.000 1.156 193 F HN 0.250 nan 8.300 nan 0.000 0.463 194 L N 2.229 123.630 121.223 0.297 0.000 2.317 194 L HA 0.679 5.020 4.340 0.002 0.000 0.281 194 L C -0.211 176.852 176.870 0.322 0.000 1.024 194 L CA -0.519 54.507 54.840 0.310 0.000 0.810 194 L CB 1.847 44.083 42.059 0.295 0.000 1.240 194 L HN 0.616 nan 8.230 nan 0.000 0.427 195 S N 1.296 117.203 115.700 0.345 0.000 2.541 195 S HA 0.925 5.397 4.470 0.002 0.000 0.271 195 S C -0.827 173.928 174.600 0.258 0.000 1.133 195 S CA -0.227 58.173 58.200 0.332 0.000 0.876 195 S CB 2.057 65.514 63.200 0.427 0.000 1.105 195 S HN 0.904 nan 8.310 nan 0.000 0.470 196 G N 2.366 111.247 108.800 0.134 0.000 2.616 196 G HA2 0.495 4.456 3.960 0.002 0.000 0.294 196 G HA3 0.495 4.456 3.960 0.002 0.000 0.294 196 G C -2.164 172.687 174.900 -0.082 0.000 1.489 196 G CA -0.660 44.336 45.100 -0.173 0.000 0.836 196 G HN 0.762 nan 8.290 nan 0.000 0.527 197 D N -0.256 120.066 120.400 -0.129 0.000 2.228 197 D HA 0.716 5.358 4.640 0.002 0.000 0.247 197 D C 0.826 177.038 176.300 -0.146 0.000 0.995 197 D CA 0.339 54.281 54.000 -0.097 0.000 0.903 197 D CB 1.708 42.500 40.800 -0.014 0.000 1.205 197 D HN 1.056 nan 8.370 nan 0.000 0.459 198 S N 1.618 117.243 115.700 -0.124 0.000 3.938 198 S HA -0.355 4.116 4.470 0.002 0.000 0.624 198 S C 1.653 175.999 174.600 -0.423 0.000 2.186 198 S CA 2.890 60.965 58.200 -0.209 0.000 4.144 198 S CB -1.868 61.243 63.200 -0.148 0.000 0.230 198 S HN 1.275 nan 8.310 nan 0.000 0.755 199 S N 1.368 116.685 115.700 -0.639 0.000 2.402 199 S HA -0.011 4.461 4.470 0.002 0.000 0.233 199 S C 2.180 176.241 174.600 -0.898 0.000 1.030 199 S CA 2.094 59.589 58.200 -1.173 0.000 1.003 199 S CB -1.684 60.405 63.200 -1.851 0.000 0.813 199 S HN 1.725 nan 8.310 nan 0.000 0.477 200 G N 1.182 109.611 108.800 -0.617 0.000 2.432 200 G HA2 0.117 4.078 3.960 0.002 0.000 0.219 200 G HA3 0.117 4.078 3.960 0.002 0.000 0.219 200 G C 1.386 176.085 174.900 -0.335 0.000 1.135 200 G CA 0.589 45.398 45.100 -0.486 0.000 0.767 200 G HN 0.674 nan 8.290 nan 0.000 0.550 201 G N 0.730 109.351 108.800 -0.299 0.000 2.408 201 G HA2 -0.254 3.707 3.960 0.002 0.000 0.217 201 G HA3 -0.254 3.707 3.960 0.002 0.000 0.217 201 G C 1.698 176.463 174.900 -0.225 0.000 1.150 201 G CA 1.054 46.035 45.100 -0.199 0.000 0.776 201 G HN 0.464 nan 8.290 nan 0.000 0.542 202 N N 1.008 119.494 118.700 -0.358 0.000 2.084 202 N HA -0.088 4.653 4.740 0.002 0.000 0.190 202 N C 2.341 177.926 175.510 0.126 0.000 1.030 202 N CA 1.170 54.112 53.050 -0.179 0.000 0.849 202 N CB -0.242 38.215 38.487 -0.050 0.000 1.012 202 N HN 0.362 nan 8.380 nan 0.000 0.423 203 I N 1.495 122.036 120.570 -0.049 0.000 2.151 203 I HA -0.287 3.884 4.170 0.002 0.000 0.243 203 I C 2.582 178.494 176.117 -0.341 0.000 1.080 203 I CA 1.397 62.589 61.300 -0.180 0.000 1.339 203 I CB -0.430 37.123 38.000 -0.745 0.000 1.039 203 I HN 0.159 nan 8.210 nan 0.000 0.409 204 A N 0.152 122.790 122.820 -0.304 0.000 1.917 204 A HA -0.347 3.974 4.320 0.002 0.000 0.219 204 A C 2.190 179.813 177.584 0.065 0.000 1.182 204 A CA 2.443 54.450 52.037 -0.049 0.000 0.633 204 A CB -1.130 17.961 19.000 0.152 0.000 0.819 204 A HN 0.618 nan 8.150 nan 0.000 0.448 205 H N -0.869 118.223 119.070 0.036 0.000 2.290 205 H HA -0.190 4.367 4.556 0.003 0.000 0.298 205 H C 2.014 177.335 175.328 -0.012 0.000 1.087 205 H CA 2.353 58.473 56.048 0.121 0.000 1.291 205 H CB -0.348 29.477 29.762 0.106 0.000 1.369 205 H HN 0.621 nan 8.280 nan 0.000 0.492 206 H N -0.827 118.085 119.070 -0.263 0.000 2.423 206 H HA -0.048 4.509 4.556 0.002 0.000 0.297 206 H C 2.557 177.700 175.328 -0.309 0.000 1.075 206 H CA 1.343 57.106 56.048 -0.474 0.000 1.342 206 H CB -0.049 29.181 29.762 -0.887 0.000 1.395 206 H HN 0.294 nan 8.280 nan 0.000 0.530 207 V N 1.190 121.055 119.914 -0.083 0.000 2.358 207 V HA -0.214 3.908 4.120 0.002 0.000 0.246 207 V C 2.842 179.004 176.094 0.113 0.000 1.047 207 V CA 1.399 63.742 62.300 0.071 0.000 1.035 207 V CB -0.950 30.945 31.823 0.121 0.000 0.658 207 V HN 0.431 nan 8.190 nan 0.000 0.452 208 A N -0.119 122.732 122.820 0.052 0.000 1.908 208 A HA -0.181 4.141 4.320 0.002 0.000 0.218 208 A C 2.417 180.062 177.584 0.103 0.000 1.181 208 A CA 2.205 54.251 52.037 0.015 0.000 0.627 208 A CB -0.737 18.196 19.000 -0.111 0.000 0.818 208 A HN 0.329 nan 8.150 nan 0.000 0.445 209 V N -0.082 119.901 119.914 0.115 0.000 2.295 209 V HA -0.266 3.855 4.120 0.002 0.000 0.246 209 V C 2.675 178.760 176.094 -0.016 0.000 1.049 209 V CA 2.388 64.724 62.300 0.059 0.000 1.024 209 V CB -0.764 30.940 31.823 -0.199 0.000 0.648 209 V HN 0.694 nan 8.190 nan 0.000 0.447 210 R N 0.103 120.541 120.500 -0.104 0.000 2.096 210 R HA -0.132 4.210 4.340 0.002 0.000 0.235 210 R C 2.215 178.419 176.300 -0.161 0.000 1.127 210 R CA 1.546 57.485 56.100 -0.268 0.000 0.968 210 R CB -0.402 29.564 30.300 -0.556 0.000 0.861 210 R HN 0.494 nan 8.270 nan 0.000 0.440 211 A N 0.493 123.391 122.820 0.130 0.000 1.969 211 A HA -0.038 4.284 4.320 0.002 0.000 0.218 211 A C 2.290 179.964 177.584 0.150 0.000 1.169 211 A CA 1.436 53.662 52.037 0.314 0.000 0.635 211 A CB -0.604 18.576 19.000 0.301 0.000 0.810 211 A HN 0.524 nan 8.150 nan 0.000 0.445 212 A N 0.047 122.926 122.820 0.099 0.000 1.855 212 A HA -0.173 4.149 4.320 0.002 0.000 0.215 212 A C 1.813 179.437 177.584 0.066 0.000 1.191 212 A CA 1.808 53.901 52.037 0.093 0.000 0.613 212 A CB -0.656 18.442 19.000 0.162 0.000 0.829 212 A HN 0.399 nan 8.150 nan 0.000 0.442 213 D N -0.203 120.215 120.400 0.030 0.000 2.190 213 D HA -0.124 4.517 4.640 0.002 0.000 0.200 213 D C 1.461 177.767 176.300 0.011 0.000 0.992 213 D CA 1.372 55.371 54.000 -0.000 0.000 0.854 213 D CB -0.126 40.640 40.800 -0.057 0.000 0.936 213 D HN 0.686 nan 8.370 nan 0.000 0.462 214 E N -1.310 118.913 120.200 0.037 0.000 2.526 214 E HA 0.282 4.633 4.350 0.002 0.000 0.208 214 E C 0.939 177.606 176.600 0.111 0.000 0.997 214 E CA 0.236 56.685 56.400 0.081 0.000 0.961 214 E CB 1.065 30.846 29.700 0.134 0.000 1.030 214 E HN 0.182 nan 8.360 nan 0.000 0.483 215 G N 1.701 110.555 108.800 0.091 0.000 2.147 215 G HA2 -0.267 3.695 3.960 0.002 0.000 0.244 215 G HA3 -0.267 3.695 3.960 0.002 0.000 0.244 215 G C 0.276 175.219 174.900 0.071 0.000 1.005 215 G CA 0.150 45.292 45.100 0.070 0.000 0.713 215 G HN 0.165 nan 8.290 nan 0.000 0.515 216 V N 0.803 120.784 119.914 0.112 0.000 2.461 216 V HA 0.474 4.595 4.120 0.002 0.000 0.275 216 V C 0.911 177.023 176.094 0.029 0.000 1.047 216 V CA -0.057 62.289 62.300 0.077 0.000 0.955 216 V CB 1.489 33.388 31.823 0.126 0.000 0.988 216 V HN 0.352 nan 8.190 nan 0.000 0.471 217 K N 5.160 125.546 120.400 -0.022 0.000 2.310 217 K HA 0.363 4.685 4.320 0.002 0.000 0.290 217 K C -0.666 175.866 176.600 -0.113 0.000 1.077 217 K CA -0.310 55.937 56.287 -0.067 0.000 0.922 217 K CB 0.732 33.184 32.500 -0.080 0.000 1.057 217 K HN 0.541 nan 8.250 nan 0.000 0.479 218 V N 5.811 125.641 119.914 -0.140 0.000 2.370 218 V HA 0.160 4.282 4.120 0.002 0.000 0.283 218 V C 1.506 177.410 176.094 -0.317 0.000 1.023 218 V CA -0.814 61.359 62.300 -0.211 0.000 0.857 218 V CB 0.925 32.648 31.823 -0.165 0.000 0.985 218 V HN 1.097 nan 8.190 nan 0.000 0.443 219 C N 3.423 122.415 119.300 -0.513 0.000 2.413 219 C HA 0.294 4.756 4.460 0.002 0.000 0.277 219 C C 1.318 175.955 174.990 -0.588 0.000 1.265 219 C CA 0.755 59.360 59.018 -0.689 0.000 1.752 219 C CB -1.150 25.850 27.740 -1.234 0.000 1.998 219 C HN 1.072 nan 8.230 nan 0.000 0.489 220 G N -0.444 108.064 108.800 -0.487 0.000 2.442 220 G HA2 0.386 4.348 3.960 0.002 0.000 0.296 220 G HA3 0.386 4.348 3.960 0.002 0.000 0.296 220 G C -1.992 173.118 174.900 0.350 0.000 1.564 220 G CA -0.586 44.593 45.100 0.130 0.000 0.828 220 G HN 0.086 nan 8.290 nan 0.000 0.571 221 N N 0.040 118.941 118.700 0.336 0.000 2.400 221 N HA 0.557 5.298 4.740 0.002 0.000 0.288 221 N C -0.523 175.109 175.510 0.203 0.000 1.024 221 N CA -0.415 52.789 53.050 0.256 0.000 0.894 221 N CB 1.988 40.582 38.487 0.179 0.000 1.173 221 N HN 0.419 nan 8.380 nan 0.000 0.487 222 I N 2.945 123.620 120.570 0.175 0.000 2.371 222 I HA 0.271 4.442 4.170 0.002 0.000 0.282 222 I C -0.386 175.774 176.117 0.071 0.000 1.031 222 I CA -0.408 60.905 61.300 0.022 0.000 1.180 222 I CB 0.700 38.693 38.000 -0.012 0.000 1.336 222 I HN 0.181 nan 8.210 nan 0.000 0.467 223 L N 7.158 128.412 121.223 0.053 0.000 2.272 223 L HA 0.514 4.855 4.340 0.002 0.000 0.289 223 L C -0.728 176.148 176.870 0.009 0.000 1.032 223 L CA -0.734 54.139 54.840 0.055 0.000 0.810 223 L CB 1.255 43.380 42.059 0.109 0.000 1.205 223 L HN 0.448 nan 8.230 nan 0.000 0.422 224 L N 4.633 125.824 121.223 -0.053 0.000 2.294 224 L HA 0.385 4.727 4.340 0.002 0.000 0.283 224 L C 0.206 177.044 176.870 -0.054 0.000 1.015 224 L CA -0.349 54.412 54.840 -0.131 0.000 0.831 224 L CB 0.805 42.562 42.059 -0.503 0.000 1.217 224 L HN 0.516 nan 8.230 nan 0.000 0.420 225 N N 1.802 120.544 118.700 0.070 0.000 2.714 225 N HA -0.203 4.538 4.740 0.002 0.000 0.252 225 N C 0.153 175.659 175.510 -0.007 0.000 1.014 225 N CA 0.968 54.079 53.050 0.102 0.000 0.735 225 N CB -0.562 38.045 38.487 0.201 0.000 0.924 225 N HN 0.814 nan 8.380 nan 0.000 0.540 226 A N 0.238 123.018 122.820 -0.067 0.000 2.565 226 A HA 0.146 4.468 4.320 0.002 0.000 0.237 226 A C 0.998 178.341 177.584 -0.401 0.000 1.053 226 A CA 0.153 52.019 52.037 -0.285 0.000 0.755 226 A CB 0.228 19.032 19.000 -0.328 0.000 0.980 226 A HN 0.469 nan 8.150 nan 0.000 0.506 227 M N 3.410 122.690 119.600 -0.533 0.000 2.077 227 M HA 0.584 5.066 4.480 0.002 0.000 0.348 227 M C -1.704 174.428 176.300 -0.280 0.000 1.252 227 M CA 0.276 55.407 55.300 -0.281 0.000 1.096 227 M CB -0.390 32.034 32.600 -0.292 0.000 1.568 227 M HN 0.604 nan 8.290 nan 0.000 0.456 228 F N 2.308 122.501 119.950 0.405 0.000 2.603 228 F HA 0.875 5.403 4.527 0.002 0.000 0.317 228 F C 0.463 176.456 175.800 0.321 0.000 1.066 228 F CA -0.758 57.447 58.000 0.341 0.000 0.941 228 F CB 2.337 41.381 39.000 0.075 0.000 1.291 228 F HN 0.607 nan 8.300 nan 0.000 0.472 229 G N -0.441 108.458 108.800 0.165 0.000 2.782 229 G HA2 0.731 4.692 3.960 0.002 0.000 0.304 229 G HA3 0.731 4.692 3.960 0.002 0.000 0.304 229 G C -1.344 173.470 174.900 -0.143 0.000 1.315 229 G CA -0.507 44.565 45.100 -0.048 0.000 0.791 229 G HN 1.033 nan 8.290 nan 0.000 0.519 230 G N -2.365 106.354 108.800 -0.135 0.000 2.506 230 G HA2 0.556 4.518 3.960 0.002 0.000 0.292 230 G HA3 0.556 4.518 3.960 0.002 0.000 0.292 230 G C 0.730 175.591 174.900 -0.065 0.000 1.425 230 G CA 1.129 46.165 45.100 -0.107 0.000 0.788 230 G HN 1.341 nan 8.290 nan 0.000 0.490 231 T N -3.278 111.245 114.554 -0.050 0.000 2.867 231 T HA 0.339 4.690 4.350 0.002 0.000 0.268 231 T C 1.102 175.805 174.700 0.006 0.000 1.057 231 T CA 2.315 64.401 62.100 -0.023 0.000 1.136 231 T CB -0.456 68.397 68.868 -0.024 0.000 0.874 231 T HN 1.279 nan 8.240 nan 0.000 0.466 232 E N 1.594 121.800 120.200 0.010 0.000 2.250 232 E HA 0.599 4.950 4.350 0.002 0.000 0.265 232 E C -0.171 176.454 176.600 0.043 0.000 1.033 232 E CA -1.057 55.358 56.400 0.026 0.000 0.888 232 E CB 0.496 30.209 29.700 0.021 0.000 1.151 232 E HN 0.304 nan 8.360 nan 0.000 0.412 233 R N 0.808 121.339 120.500 0.051 0.000 2.404 233 R HA 0.417 4.759 4.340 0.002 0.000 0.291 233 R C 0.498 176.835 176.300 0.063 0.000 1.025 233 R CA -0.172 55.968 56.100 0.067 0.000 0.991 233 R CB 0.954 31.296 30.300 0.070 0.000 1.053 233 R HN 0.862 nan 8.270 nan 0.000 0.479 234 T N -2.269 112.331 114.554 0.075 0.000 2.847 234 T HA 0.099 4.451 4.350 0.002 0.000 0.279 234 T C 1.174 175.915 174.700 0.069 0.000 0.984 234 T CA -0.699 61.443 62.100 0.070 0.000 0.988 234 T CB 1.413 70.330 68.868 0.082 0.000 1.040 234 T HN 0.511 nan 8.240 nan 0.000 0.528 235 E N 0.528 120.764 120.200 0.061 0.000 2.051 235 E HA -0.177 4.175 4.350 0.002 0.000 0.192 235 E C 2.289 178.929 176.600 0.068 0.000 0.991 235 E CA 1.931 58.366 56.400 0.058 0.000 0.799 235 E CB -0.555 29.174 29.700 0.048 0.000 0.748 235 E HN 0.823 nan 8.360 nan 0.000 0.449 236 S N 0.304 116.049 115.700 0.075 0.000 2.382 236 S HA -0.168 4.303 4.470 0.002 0.000 0.228 236 S C 1.898 176.558 174.600 0.100 0.000 1.027 236 S CA 1.295 59.546 58.200 0.085 0.000 0.991 236 S CB -0.372 62.881 63.200 0.088 0.000 0.823 236 S HN 0.278 nan 8.310 nan 0.000 0.469 237 E N 1.486 121.749 120.200 0.105 0.000 2.038 237 E HA -0.129 4.223 4.350 0.002 0.000 0.195 237 E C 2.549 179.210 176.600 0.103 0.000 1.000 237 E CA 1.384 57.855 56.400 0.117 0.000 0.803 237 E CB -0.159 29.616 29.700 0.124 0.000 0.750 237 E HN 0.564 nan 8.360 nan 0.000 0.448 238 R N 0.351 120.903 120.500 0.087 0.000 2.081 238 R HA -0.106 4.235 4.340 0.002 0.000 0.235 238 R C 2.496 178.839 176.300 0.071 0.000 1.131 238 R CA 1.300 57.444 56.100 0.074 0.000 0.960 238 R CB -0.277 30.060 30.300 0.062 0.000 0.856 238 R HN 0.056 nan 8.270 nan 0.000 0.436 239 R N 0.985 121.530 120.500 0.074 0.000 2.075 239 R HA -0.051 4.290 4.340 0.002 0.000 0.232 239 R C 1.623 177.977 176.300 0.090 0.000 1.126 239 R CA 1.245 57.389 56.100 0.074 0.000 0.963 239 R CB 0.016 30.360 30.300 0.073 0.000 0.858 239 R HN 0.188 nan 8.270 nan 0.000 0.435 240 L N 0.646 121.935 121.223 0.110 0.000 2.616 240 L HA 0.132 4.473 4.340 0.002 0.000 0.229 240 L C 0.099 177.043 176.870 0.122 0.000 1.110 240 L CA -0.447 54.481 54.840 0.146 0.000 0.884 240 L CB 0.103 42.270 42.059 0.180 0.000 1.115 240 L HN 0.138 nan 8.230 nan 0.000 0.481 241 D N 1.127 121.587 120.400 0.101 0.000 2.581 241 D HA 0.108 4.749 4.640 0.002 0.000 0.238 241 D C 1.382 177.717 176.300 0.058 0.000 1.145 241 D CA 1.458 55.513 54.000 0.093 0.000 0.866 241 D CB 0.668 41.522 40.800 0.090 0.000 1.151 241 D HN 0.318 nan 8.370 nan 0.000 0.500 242 G N 4.283 113.116 108.800 0.055 0.000 2.234 242 G HA2 -0.372 3.590 3.960 0.002 0.000 0.260 242 G HA3 -0.372 3.590 3.960 0.002 0.000 0.260 242 G C 1.283 176.138 174.900 -0.075 0.000 0.987 242 G CA 0.662 45.770 45.100 0.013 0.000 0.625 242 G HN 0.581 nan 8.290 nan 0.000 0.532 243 K N -1.014 119.313 120.400 -0.121 0.000 2.186 243 K HA 0.159 4.480 4.320 0.002 0.000 0.202 243 K C 0.192 176.303 176.600 -0.816 0.000 1.052 243 K CA 0.976 57.026 56.287 -0.396 0.000 0.965 243 K CB 0.203 32.510 32.500 -0.323 0.000 0.746 243 K HN 0.513 nan 8.250 nan 0.000 0.457 244 Y N -0.193 119.994 120.300 -0.187 0.000 2.477 244 Y HA 0.172 4.724 4.550 0.002 0.000 0.340 244 Y C -0.410 175.264 175.900 -0.377 0.000 0.987 244 Y CA -0.760 57.066 58.100 -0.456 0.000 1.127 244 Y CB -0.055 38.260 38.460 -0.241 0.000 1.139 244 Y HN 0.032 nan 8.280 nan 0.000 0.637 245 F N -2.611 117.377 119.950 0.064 0.000 2.504 245 F HA -0.323 4.206 4.527 0.003 0.000 0.597 245 F C 0.031 175.851 175.800 0.034 0.000 0.505 245 F CA 0.259 58.257 58.000 -0.004 0.000 1.106 245 F CB -1.111 37.862 39.000 -0.045 0.000 1.874 245 F HN -0.029 nan 8.300 nan 0.000 0.260 246 V N 1.030 121.075 119.914 0.219 0.000 2.483 246 V HA 0.659 4.780 4.120 0.002 0.000 0.295 246 V C 0.319 176.509 176.094 0.160 0.000 1.035 246 V CA 0.046 62.463 62.300 0.196 0.000 0.896 246 V CB 1.792 33.735 31.823 0.201 0.000 0.986 246 V HN 0.261 nan 8.190 nan 0.000 0.447 247 T N 1.320 115.976 114.554 0.169 0.000 2.908 247 T HA 0.613 4.965 4.350 0.002 0.000 0.290 247 T C 0.776 175.584 174.700 0.180 0.000 1.034 247 T CA -0.716 61.473 62.100 0.149 0.000 1.010 247 T CB 1.572 70.516 68.868 0.126 0.000 1.068 247 T HN 0.281 nan 8.240 nan 0.000 0.481 248 L N 0.803 122.123 121.223 0.163 0.000 2.093 248 L HA -0.085 4.256 4.340 0.002 0.000 0.208 248 L C 3.201 180.189 176.870 0.198 0.000 1.085 248 L CA 1.130 56.081 54.840 0.186 0.000 0.755 248 L CB -0.502 41.650 42.059 0.155 0.000 0.904 248 L HN 0.809 nan 8.230 nan 0.000 0.435 249 Q N 0.374 120.273 119.800 0.166 0.000 2.096 249 Q HA -0.305 4.036 4.340 0.002 0.000 0.208 249 Q C 1.815 177.942 176.000 0.211 0.000 0.993 249 Q CA 2.484 58.388 55.803 0.169 0.000 0.862 249 Q CB -0.206 28.608 28.738 0.127 0.000 0.915 249 Q HN 0.731 nan 8.270 nan 0.000 0.416 250 D N -0.531 119.994 120.400 0.208 0.000 2.144 250 D HA -0.171 4.471 4.640 0.002 0.000 0.200 250 D C 1.740 178.276 176.300 0.392 0.000 0.978 250 D CA 0.771 54.918 54.000 0.245 0.000 0.833 250 D CB -0.135 40.832 40.800 0.279 0.000 0.961 250 D HN -0.024 nan 8.370 nan 0.000 0.470 251 R N 0.759 121.486 120.500 0.378 0.000 2.094 251 R HA -0.131 4.210 4.340 0.002 0.000 0.239 251 R C 1.757 178.312 176.300 0.426 0.000 1.137 251 R CA 1.621 57.958 56.100 0.395 0.000 0.943 251 R CB -1.126 29.393 30.300 0.365 0.000 0.850 251 R HN 0.383 nan 8.270 nan 0.000 0.433 252 D N -0.661 119.968 120.400 0.381 0.000 2.123 252 D HA -0.193 4.448 4.640 0.002 0.000 0.196 252 D C 1.720 178.190 176.300 0.282 0.000 0.992 252 D CA 0.865 55.070 54.000 0.342 0.000 0.833 252 D CB -0.439 40.507 40.800 0.242 0.000 0.954 252 D HN 0.298 nan 8.370 nan 0.000 0.455 253 W N 0.377 121.706 121.300 0.048 0.000 2.335 253 W HA -0.251 4.410 4.660 0.002 0.000 0.311 253 W C 2.098 178.528 176.519 -0.149 0.000 1.213 253 W CA 1.477 58.761 57.345 -0.102 0.000 1.274 253 W CB -0.531 28.779 29.460 -0.249 0.000 1.148 253 W HN 0.034 nan 8.180 nan 0.000 0.498 254 Y N -1.678 118.853 120.300 0.385 0.000 2.200 254 Y HA -0.237 4.315 4.550 0.002 0.000 0.290 254 Y C 2.232 178.127 175.900 -0.009 0.000 1.137 254 Y CA 1.757 59.954 58.100 0.163 0.000 1.163 254 Y CB -1.159 37.335 38.460 0.057 0.000 0.988 254 Y HN -0.070 nan 8.280 nan 0.000 0.518 255 W N 0.519 121.969 121.300 0.250 0.000 2.355 255 W HA -0.203 4.458 4.660 0.002 0.000 0.309 255 W C 2.573 179.068 176.519 -0.039 0.000 1.206 255 W CA 1.236 58.653 57.345 0.120 0.000 1.284 255 W CB -0.246 29.285 29.460 0.120 0.000 1.145 255 W HN -0.092 nan 8.180 nan 0.000 0.502 256 K N 0.518 120.990 120.400 0.120 0.000 2.103 256 K HA -0.196 4.126 4.320 0.002 0.000 0.207 256 K C 2.106 178.571 176.600 -0.225 0.000 1.048 256 K CA 1.686 57.912 56.287 -0.102 0.000 0.930 256 K CB -0.362 32.016 32.500 -0.203 0.000 0.716 256 K HN 0.083 nan 8.250 nan 0.000 0.444 257 A N -0.315 122.310 122.820 -0.326 0.000 1.969 257 A HA -0.156 4.166 4.320 0.002 0.000 0.218 257 A C 1.983 179.499 177.584 -0.112 0.000 1.169 257 A CA 1.247 53.084 52.037 -0.333 0.000 0.635 257 A CB -0.589 18.135 19.000 -0.459 0.000 0.810 257 A HN 0.567 nan 8.150 nan 0.000 0.445 258 Y N -0.111 120.081 120.300 -0.179 0.000 2.343 258 Y HA 0.354 4.906 4.550 0.002 0.000 0.294 258 Y C 0.728 176.484 175.900 -0.240 0.000 1.122 258 Y CA -0.361 57.583 58.100 -0.260 0.000 1.173 258 Y CB -0.171 37.948 38.460 -0.568 0.000 1.077 258 Y HN 0.122 nan 8.280 nan 0.000 0.542 259 L N 2.228 123.278 121.223 -0.288 0.000 2.464 259 L HA 0.198 4.539 4.340 0.002 0.000 0.264 259 L C -1.971 174.662 176.870 -0.394 0.000 1.199 259 L CA -1.964 52.596 54.840 -0.467 0.000 0.818 259 L CB -0.053 41.824 42.059 -0.304 0.000 1.102 259 L HN 0.010 nan 8.230 nan 0.000 0.473 260 P HA 0.009 nan 4.420 nan 0.000 0.266 260 P C 0.523 177.715 177.300 -0.180 0.000 1.193 260 P CA 0.367 63.320 63.100 -0.246 0.000 0.770 260 P CB 0.506 32.084 31.700 -0.202 0.000 0.836 261 E N 2.469 122.591 120.200 -0.129 0.000 2.160 261 E HA -0.242 4.110 4.350 0.002 0.000 0.195 261 E C 1.198 177.746 176.600 -0.085 0.000 0.991 261 E CA 1.910 58.247 56.400 -0.105 0.000 0.810 261 E CB -1.227 28.422 29.700 -0.084 0.000 0.742 261 E HN 0.727 nan 8.360 nan 0.000 0.466 262 D N -0.670 119.686 120.400 -0.074 0.000 2.340 262 D HA 0.353 4.995 4.640 0.002 0.000 0.220 262 D C 0.941 177.208 176.300 -0.054 0.000 1.039 262 D CA 0.591 54.558 54.000 -0.055 0.000 0.866 262 D CB -0.194 40.583 40.800 -0.040 0.000 0.913 262 D HN 0.504 nan 8.370 nan 0.000 0.523 263 A N 0.722 123.497 122.820 -0.076 0.000 2.257 263 A HA 0.511 4.832 4.320 0.002 0.000 0.289 263 A C 0.034 177.580 177.584 -0.064 0.000 1.095 263 A CA -0.306 51.694 52.037 -0.063 0.000 0.836 263 A CB 0.674 19.601 19.000 -0.121 0.000 1.111 263 A HN 0.296 nan 8.150 nan 0.000 0.497 264 D N -1.466 118.906 120.400 -0.047 0.000 2.687 264 D HA 0.301 4.943 4.640 0.002 0.000 0.264 264 D C 0.333 176.583 176.300 -0.083 0.000 1.091 264 D CA -0.716 53.251 54.000 -0.055 0.000 1.123 264 D CB 0.507 41.282 40.800 -0.041 0.000 1.407 264 D HN 0.342 nan 8.370 nan 0.000 0.591 265 R N -0.821 119.613 120.500 -0.110 0.000 2.339 265 R HA 0.041 4.382 4.340 0.002 0.000 0.199 265 R C -0.077 176.101 176.300 -0.203 0.000 1.018 265 R CA 0.469 56.433 56.100 -0.227 0.000 1.036 265 R CB -0.019 30.140 30.300 -0.234 0.000 0.899 265 R HN 0.397 nan 8.270 nan 0.000 0.473 266 D N -0.522 119.810 120.400 -0.114 0.000 2.339 266 D HA -0.050 4.592 4.640 0.002 0.000 0.217 266 D C 0.300 176.548 176.300 -0.086 0.000 1.050 266 D CA 0.264 54.207 54.000 -0.095 0.000 0.856 266 D CB -0.104 40.653 40.800 -0.071 0.000 0.922 266 D HN 0.177 nan 8.370 nan 0.000 0.518 267 H N 2.428 121.385 119.070 -0.189 0.000 3.064 267 H HA -0.032 4.526 4.556 0.002 0.000 0.329 267 H C -1.399 173.819 175.328 -0.185 0.000 1.020 267 H CA -0.633 55.287 56.048 -0.213 0.000 1.402 267 H CB 1.495 31.085 29.762 -0.287 0.000 1.379 267 H HN -0.079 nan 8.280 nan 0.000 0.594 268 P HA -0.123 nan 4.420 nan 0.000 0.223 268 P C 0.991 178.385 177.300 0.156 0.000 1.144 268 P CA 1.453 64.507 63.100 -0.076 0.000 0.783 268 P CB 0.015 31.625 31.700 -0.148 0.000 0.771 269 A N -0.546 122.448 122.820 0.290 0.000 1.930 269 A HA -0.167 4.154 4.320 0.002 0.000 0.217 269 A C 2.540 180.393 177.584 0.448 0.000 1.175 269 A CA 1.690 53.926 52.037 0.331 0.000 0.627 269 A CB -1.653 17.531 19.000 0.306 0.000 0.815 269 A HN 0.353 nan 8.150 nan 0.000 0.443 270 C N -0.954 118.417 119.300 0.117 0.000 2.519 270 C HA 0.193 4.654 4.460 0.002 0.000 0.281 270 C C 1.005 175.950 174.990 -0.076 0.000 1.331 270 C CA 0.932 59.767 59.018 -0.305 0.000 1.725 270 C CB -0.744 26.477 27.740 -0.865 0.000 2.079 270 C HN 0.544 nan 8.230 nan 0.000 0.496 271 N N 0.383 119.044 118.700 -0.065 0.000 2.918 271 N HA 0.332 5.073 4.740 0.002 0.000 0.270 271 N C -1.832 173.611 175.510 -0.113 0.000 1.536 271 N CA -1.796 51.207 53.050 -0.077 0.000 0.877 271 N CB 0.937 39.364 38.487 -0.100 0.000 1.190 271 N HN 0.340 nan 8.380 nan 0.000 0.492 272 P HA -0.017 nan 4.420 nan 0.000 0.222 272 P C 0.114 177.069 177.300 -0.574 0.000 1.147 272 P CA 0.940 63.802 63.100 -0.396 0.000 0.790 272 P CB 0.042 31.342 31.700 -0.667 0.000 0.780 273 F N -0.811 119.076 119.950 -0.104 0.000 2.764 273 F HA 0.437 4.966 4.527 0.002 0.000 0.310 273 F C 1.674 177.425 175.800 -0.080 0.000 1.124 273 F CA -0.797 57.144 58.000 -0.099 0.000 1.252 273 F CB -0.183 38.736 39.000 -0.134 0.000 1.010 273 F HN -0.156 nan 8.300 nan 0.000 0.518 274 G N 0.525 109.346 108.800 0.035 0.000 2.543 274 G HA2 0.280 4.241 3.960 0.002 0.000 0.267 274 G HA3 0.280 4.241 3.960 0.002 0.000 0.267 274 G C -1.464 173.433 174.900 -0.006 0.000 1.406 274 G CA -1.028 44.079 45.100 0.011 0.000 1.048 274 G HN -0.104 nan 8.290 nan 0.000 0.548 275 P HA -0.103 nan 4.420 nan 0.000 0.218 275 P C 0.914 178.190 177.300 -0.040 0.000 1.147 275 P CA 1.218 64.302 63.100 -0.027 0.000 0.827 275 P CB 0.223 31.903 31.700 -0.033 0.000 0.778 276 N N -2.261 116.405 118.700 -0.058 0.000 2.170 276 N HA 0.127 4.868 4.740 0.002 0.000 0.222 276 N C 0.759 176.217 175.510 -0.086 0.000 1.218 276 N CA 0.187 53.186 53.050 -0.084 0.000 0.889 276 N CB 0.858 39.269 38.487 -0.128 0.000 1.083 276 N HN 0.055 nan 8.380 nan 0.000 0.520 277 G N 0.946 109.712 108.800 -0.056 0.000 2.389 277 G HA2 0.450 4.412 3.960 0.002 0.000 0.328 277 G HA3 0.450 4.412 3.960 0.002 0.000 0.328 277 G C 0.136 175.037 174.900 0.001 0.000 1.133 277 G CA -0.602 44.466 45.100 -0.053 0.000 0.891 277 G HN 0.158 nan 8.290 nan 0.000 0.485 278 R N 0.975 121.474 120.500 -0.001 0.000 2.615 278 R HA 0.514 4.855 4.340 0.002 0.000 0.270 278 R C -0.460 175.920 176.300 0.133 0.000 1.081 278 R CA -0.706 55.417 56.100 0.038 0.000 1.154 278 R CB 0.883 31.189 30.300 0.010 0.000 1.063 278 R HN 0.233 nan 8.270 nan 0.000 0.519 279 R N 1.794 122.361 120.500 0.112 0.000 2.536 279 R HA 0.280 4.621 4.340 0.002 0.000 0.279 279 R C 0.461 176.818 176.300 0.097 0.000 1.001 279 R CA -0.691 55.485 56.100 0.126 0.000 1.027 279 R CB 0.721 31.038 30.300 0.028 0.000 1.096 279 R HN 0.757 nan 8.270 nan 0.000 0.502 280 L N 0.346 121.636 121.223 0.112 0.000 2.906 280 L HA 0.307 4.649 4.340 0.002 0.000 0.255 280 L C 1.114 178.139 176.870 0.258 0.000 1.166 280 L CA -0.273 54.633 54.840 0.111 0.000 0.977 280 L CB 0.646 42.683 42.059 -0.037 0.000 1.313 280 L HN 0.648 nan 8.230 nan 0.000 0.549 281 G N -0.001 108.868 108.800 0.115 0.000 2.313 281 G HA2 0.360 4.322 3.960 0.002 0.000 0.250 281 G HA3 0.360 4.322 3.960 0.002 0.000 0.250 281 G C 1.011 175.937 174.900 0.043 0.000 1.281 281 G CA 0.795 45.889 45.100 -0.010 0.000 0.917 281 G HN 0.404 nan 8.290 nan 0.000 0.501 282 G N 1.410 110.250 108.800 0.067 0.000 2.316 282 G HA2 -0.212 3.750 3.960 0.002 0.000 0.203 282 G HA3 -0.212 3.750 3.960 0.002 0.000 0.203 282 G C 0.391 175.361 174.900 0.116 0.000 0.999 282 G CA -0.090 45.051 45.100 0.068 0.000 0.649 282 G HN 0.732 nan 8.290 nan 0.000 0.489 283 L N 2.641 123.978 121.223 0.189 0.000 2.334 283 L HA 0.410 4.752 4.340 0.002 0.000 0.277 283 L C -1.404 175.609 176.870 0.238 0.000 1.075 283 L CA -1.870 53.077 54.840 0.178 0.000 0.804 283 L CB 1.361 43.505 42.059 0.142 0.000 1.174 283 L HN -0.035 nan 8.230 nan 0.000 0.438 284 P HA -0.035 nan 4.420 nan 0.000 0.232 284 P C -0.449 176.925 177.300 0.123 0.000 1.738 284 P CA 0.078 63.260 63.100 0.136 0.000 0.948 284 P CB -0.617 31.127 31.700 0.074 0.000 1.943 285 F N 1.920 121.830 119.950 -0.066 0.000 2.456 285 F HA 0.389 4.918 4.527 0.002 0.000 0.358 285 F C 0.901 176.645 175.800 -0.094 0.000 1.095 285 F CA -0.554 57.325 58.000 -0.201 0.000 1.216 285 F CB 0.791 39.420 39.000 -0.620 0.000 1.125 285 F HN 0.217 nan 8.300 nan 0.000 0.549 286 A N 6.309 128.771 122.820 -0.597 0.000 2.639 286 A HA -0.030 4.292 4.320 0.002 0.000 0.229 286 A C 0.249 177.733 177.584 -0.167 0.000 1.062 286 A CA -0.020 51.765 52.037 -0.420 0.000 0.761 286 A CB -0.063 18.628 19.000 -0.515 0.000 0.988 286 A HN 0.843 nan 8.150 nan 0.000 0.510 287 K N 1.008 121.426 120.400 0.031 0.000 2.355 287 K HA 0.283 4.605 4.320 0.002 0.000 0.270 287 K C -0.234 176.591 176.600 0.374 0.000 1.003 287 K CA 0.312 56.765 56.287 0.276 0.000 0.957 287 K CB 0.466 33.141 32.500 0.292 0.000 0.939 287 K HN 0.568 nan 8.250 nan 0.000 0.482 288 S N 2.049 117.981 115.700 0.387 0.000 2.454 288 S HA 0.317 4.789 4.470 0.002 0.000 0.306 288 S C -1.109 173.522 174.600 0.053 0.000 1.100 288 S CA -0.783 57.571 58.200 0.258 0.000 1.087 288 S CB 0.889 64.269 63.200 0.300 0.000 1.019 288 S HN 0.347 nan 8.310 nan 0.000 0.480 289 L N 5.052 126.091 121.223 -0.308 0.000 2.276 289 L HA 0.602 4.944 4.340 0.002 0.000 0.286 289 L C -1.288 175.492 176.870 -0.149 0.000 1.024 289 L CA -0.187 54.377 54.840 -0.461 0.000 0.826 289 L CB 0.242 41.651 42.059 -1.084 0.000 1.211 289 L HN 0.617 nan 8.230 nan 0.000 0.422 290 I N 6.670 127.230 120.570 -0.016 0.000 2.359 290 I HA 0.351 4.522 4.170 0.002 0.000 0.284 290 I C -0.517 175.642 176.117 0.070 0.000 1.018 290 I CA -0.310 61.043 61.300 0.087 0.000 1.173 290 I CB 1.150 39.265 38.000 0.191 0.000 1.326 290 I HN 0.485 nan 8.210 nan 0.000 0.462 291 I N 7.073 127.686 120.570 0.072 0.000 2.336 291 I HA 0.369 4.541 4.170 0.002 0.000 0.292 291 I C -0.475 175.729 176.117 0.145 0.000 0.991 291 I CA -0.574 60.790 61.300 0.106 0.000 1.227 291 I CB 1.620 39.693 38.000 0.122 0.000 1.366 291 I HN 0.183 nan 8.210 nan 0.000 0.466 292 V N 4.930 124.919 119.914 0.124 0.000 2.482 292 V HA 0.285 4.406 4.120 0.002 0.000 0.295 292 V C -0.106 176.015 176.094 0.045 0.000 1.026 292 V CA -0.642 61.723 62.300 0.110 0.000 0.856 292 V CB 1.678 33.554 31.823 0.090 0.000 1.001 292 V HN 0.706 nan 8.190 nan 0.000 0.424 293 S N 3.283 119.041 115.700 0.095 0.000 2.505 293 S HA 0.291 4.763 4.470 0.002 0.000 0.276 293 S C 1.407 175.983 174.600 -0.040 0.000 1.274 293 S CA 0.262 58.453 58.200 -0.015 0.000 1.053 293 S CB 1.457 64.734 63.200 0.130 0.000 0.919 293 S HN 1.032 nan 8.310 nan 0.000 0.490 294 G N 2.485 111.208 108.800 -0.128 0.000 2.443 294 G HA2 -0.059 3.902 3.960 0.002 0.000 0.219 294 G HA3 -0.059 3.902 3.960 0.002 0.000 0.219 294 G C 0.756 175.605 174.900 -0.085 0.000 1.131 294 G CA 0.411 45.458 45.100 -0.089 0.000 0.775 294 G HN 0.664 nan 8.290 nan 0.000 0.547 295 L N 0.723 121.859 121.223 -0.144 0.000 2.685 295 L HA 0.242 4.583 4.340 0.002 0.000 0.233 295 L C 0.072 176.926 176.870 -0.027 0.000 1.173 295 L CA -0.415 54.299 54.840 -0.211 0.000 0.961 295 L CB 0.268 41.936 42.059 -0.652 0.000 1.217 295 L HN 0.004 nan 8.230 nan 0.000 0.478 296 D N 1.498 121.926 120.400 0.048 0.000 2.295 296 D HA 0.075 4.717 4.640 0.002 0.000 0.248 296 D C 1.320 177.695 176.300 0.124 0.000 1.154 296 D CA -0.337 53.735 54.000 0.121 0.000 0.857 296 D CB 1.418 42.303 40.800 0.141 0.000 1.117 296 D HN 0.206 nan 8.370 nan 0.000 0.468 297 L N 2.334 123.647 121.223 0.150 0.000 2.353 297 L HA -0.045 4.297 4.340 0.002 0.000 0.220 297 L C 1.299 178.258 176.870 0.149 0.000 1.133 297 L CA 1.530 56.459 54.840 0.148 0.000 0.798 297 L CB -0.869 41.285 42.059 0.158 0.000 0.922 297 L HN 0.406 nan 8.230 nan 0.000 0.445 298 T N -3.582 111.070 114.554 0.164 0.000 3.206 298 T HA 0.072 4.423 4.350 0.002 0.000 0.253 298 T C 1.741 176.542 174.700 0.167 0.000 1.042 298 T CA 0.127 62.336 62.100 0.181 0.000 0.931 298 T CB -1.015 67.987 68.868 0.223 0.000 1.029 298 T HN 0.657 nan 8.240 nan 0.000 0.564 299 C N 0.323 119.704 119.300 0.135 0.000 2.425 299 C HA -0.054 4.407 4.460 0.002 0.000 0.277 299 C C 2.156 177.218 174.990 0.120 0.000 1.280 299 C CA 0.616 59.706 59.018 0.120 0.000 1.744 299 C CB -1.157 26.632 27.740 0.082 0.000 1.989 299 C HN 0.406 nan 8.230 nan 0.000 0.491 300 D N 1.238 121.704 120.400 0.110 0.000 2.116 300 D HA -0.132 4.509 4.640 0.002 0.000 0.193 300 D C 2.471 178.841 176.300 0.118 0.000 0.998 300 D CA 1.503 55.562 54.000 0.098 0.000 0.836 300 D CB -0.454 40.398 40.800 0.087 0.000 0.951 300 D HN 0.607 nan 8.370 nan 0.000 0.449 301 R N 0.119 120.709 120.500 0.150 0.000 2.115 301 R HA -0.026 4.315 4.340 0.002 0.000 0.230 301 R C 2.388 178.821 176.300 0.222 0.000 1.111 301 R CA 0.795 57.000 56.100 0.176 0.000 0.976 301 R CB -0.077 30.355 30.300 0.219 0.000 0.870 301 R HN 0.348 nan 8.270 nan 0.000 0.445 302 Q N 0.333 120.284 119.800 0.251 0.000 2.119 302 Q HA -0.088 4.253 4.340 0.002 0.000 0.201 302 Q C 2.089 178.244 176.000 0.257 0.000 0.972 302 Q CA 1.068 57.051 55.803 0.300 0.000 0.847 302 Q CB 0.003 28.890 28.738 0.250 0.000 0.903 302 Q HN 0.349 nan 8.270 nan 0.000 0.433 303 L N 0.051 121.375 121.223 0.168 0.000 2.109 303 L HA -0.111 4.231 4.340 0.002 0.000 0.207 303 L C 2.480 179.400 176.870 0.083 0.000 1.086 303 L CA 0.795 55.703 54.840 0.114 0.000 0.760 303 L CB -0.515 41.589 42.059 0.076 0.000 0.910 303 L HN 0.200 nan 8.230 nan 0.000 0.437 304 A N -0.523 122.350 122.820 0.087 0.000 1.930 304 A HA -0.280 4.041 4.320 0.002 0.000 0.217 304 A C 2.196 179.797 177.584 0.029 0.000 1.175 304 A CA 1.436 53.497 52.037 0.040 0.000 0.627 304 A CB -0.840 18.191 19.000 0.053 0.000 0.815 304 A HN 0.502 nan 8.150 nan 0.000 0.443 305 Y N 0.689 120.969 120.300 -0.034 0.000 2.181 305 Y HA -0.106 4.446 4.550 0.002 0.000 0.288 305 Y C 2.534 178.410 175.900 -0.039 0.000 1.146 305 Y CA 1.388 59.465 58.100 -0.038 0.000 1.164 305 Y CB -0.448 37.864 38.460 -0.247 0.000 0.982 305 Y HN 0.299 nan 8.280 nan 0.000 0.515 306 A N 0.349 123.157 122.820 -0.019 0.000 1.873 306 A HA -0.178 4.144 4.320 0.002 0.000 0.215 306 A C 1.933 179.412 177.584 -0.174 0.000 1.186 306 A CA 1.880 53.858 52.037 -0.097 0.000 0.616 306 A CB -0.906 18.125 19.000 0.052 0.000 0.823 306 A HN 0.553 nan 8.150 nan 0.000 0.442 307 D N 0.319 120.637 120.400 -0.138 0.000 2.116 307 D HA -0.142 4.500 4.640 0.002 0.000 0.193 307 D C 2.222 178.358 176.300 -0.273 0.000 0.998 307 D CA 1.797 55.702 54.000 -0.159 0.000 0.836 307 D CB -0.553 40.179 40.800 -0.113 0.000 0.951 307 D HN 0.430 nan 8.370 nan 0.000 0.449 308 A N 0.585 123.147 122.820 -0.430 0.000 1.902 308 A HA -0.117 4.205 4.320 0.002 0.000 0.217 308 A C 2.442 179.600 177.584 -0.710 0.000 1.181 308 A CA 0.884 52.493 52.037 -0.714 0.000 0.623 308 A CB -0.774 17.440 19.000 -1.309 0.000 0.818 308 A HN 0.212 nan 8.150 nan 0.000 0.443 309 L N -1.346 119.502 121.223 -0.626 0.000 2.083 309 L HA -0.183 4.158 4.340 0.002 0.000 0.209 309 L C 2.875 179.653 176.870 -0.153 0.000 1.083 309 L CA 1.508 56.154 54.840 -0.323 0.000 0.752 309 L CB -0.422 41.490 42.059 -0.246 0.000 0.899 309 L HN 0.415 nan 8.230 nan 0.000 0.433 310 R N 0.255 120.650 120.500 -0.177 0.000 2.070 310 R HA -0.180 4.161 4.340 0.002 0.000 0.233 310 R C 2.167 178.372 176.300 -0.159 0.000 1.137 310 R CA 1.691 57.714 56.100 -0.127 0.000 0.945 310 R CB -0.143 30.087 30.300 -0.117 0.000 0.845 310 R HN 0.384 nan 8.270 nan 0.000 0.430 311 E N 0.122 120.206 120.200 -0.193 0.000 2.187 311 E HA -0.207 4.144 4.350 0.002 0.000 0.199 311 E C 1.040 177.517 176.600 -0.205 0.000 1.004 311 E CA 1.433 57.720 56.400 -0.189 0.000 0.813 311 E CB -0.047 29.529 29.700 -0.206 0.000 0.736 311 E HN 0.337 nan 8.360 nan 0.000 0.468 312 D N -1.216 119.036 120.400 -0.248 0.000 2.349 312 D HA 0.063 4.705 4.640 0.002 0.000 0.224 312 D C 0.933 176.956 176.300 -0.461 0.000 1.029 312 D CA 0.814 54.650 54.000 -0.272 0.000 0.879 312 D CB 0.604 41.296 40.800 -0.179 0.000 0.906 312 D HN 0.311 nan 8.370 nan 0.000 0.528 313 G N 0.514 109.093 108.800 -0.369 0.000 2.141 313 G HA2 -0.214 3.747 3.960 0.002 0.000 0.231 313 G HA3 -0.214 3.747 3.960 0.002 0.000 0.231 313 G C 0.168 174.870 174.900 -0.330 0.000 0.984 313 G CA -0.357 44.540 45.100 -0.339 0.000 0.660 313 G HN 0.372 nan 8.290 nan 0.000 0.525 314 H N -0.296 118.792 119.070 0.031 0.000 2.544 314 H HA 0.429 4.986 4.556 0.002 0.000 0.342 314 H C -0.125 175.286 175.328 0.138 0.000 1.185 314 H CA -0.457 55.666 56.048 0.127 0.000 1.264 314 H CB 0.989 30.874 29.762 0.205 0.000 1.607 314 H HN 0.245 nan 8.280 nan 0.000 0.550 315 H N 1.615 120.835 119.070 0.251 0.000 2.723 315 H HA 0.275 4.832 4.556 0.003 0.000 0.294 315 H C -1.143 174.301 175.328 0.193 0.000 1.079 315 H CA -0.221 55.933 56.048 0.176 0.000 1.411 315 H CB -0.041 29.816 29.762 0.159 0.000 1.439 315 H HN 0.139 nan 8.280 nan 0.000 0.474 316 V N 6.289 126.156 119.914 -0.080 0.000 2.656 316 V HA 0.258 4.380 4.120 0.002 0.000 0.307 316 V C -0.203 175.855 176.094 -0.060 0.000 1.051 316 V CA -0.877 61.434 62.300 0.019 0.000 0.893 316 V CB 2.165 33.993 31.823 0.008 0.000 0.999 316 V HN 0.657 nan 8.190 nan 0.000 0.426 317 K N 3.406 123.824 120.400 0.029 0.000 2.502 317 K HA 0.691 5.012 4.320 0.002 0.000 0.254 317 K C -1.566 175.041 176.600 0.012 0.000 0.947 317 K CA -0.450 55.848 56.287 0.017 0.000 0.834 317 K CB 1.957 34.501 32.500 0.073 0.000 1.112 317 K HN 0.492 nan 8.250 nan 0.000 0.427 318 V N 4.680 124.604 119.914 0.018 0.000 2.407 318 V HA 0.272 4.393 4.120 0.002 0.000 0.278 318 V C -0.330 175.781 176.094 0.028 0.000 1.037 318 V CA -0.836 61.483 62.300 0.032 0.000 0.900 318 V CB 1.522 33.367 31.823 0.037 0.000 0.983 318 V HN 0.473 nan 8.190 nan 0.000 0.459 319 V N 5.737 125.669 119.914 0.031 0.000 2.328 319 V HA 0.355 4.477 4.120 0.002 0.000 0.278 319 V C -0.015 176.092 176.094 0.022 0.000 1.021 319 V CA -0.549 61.772 62.300 0.034 0.000 0.838 319 V CB 1.074 32.925 31.823 0.047 0.000 0.999 319 V HN 0.910 nan 8.190 nan 0.000 0.447 320 Q N 3.391 123.191 119.800 -0.000 0.000 2.303 320 Q HA 0.401 4.742 4.340 0.002 0.000 0.257 320 Q C -0.870 175.051 176.000 -0.133 0.000 0.941 320 Q CA -0.412 55.365 55.803 -0.042 0.000 0.931 320 Q CB 1.599 30.325 28.738 -0.019 0.000 1.215 320 Q HN 0.780 nan 8.270 nan 0.000 0.437 321 C N 3.317 122.431 119.300 -0.309 0.000 2.170 321 C HA 0.083 4.544 4.460 0.002 0.000 0.339 321 C C 1.720 176.292 174.990 -0.697 0.000 1.056 321 C CA -0.574 57.949 59.018 -0.826 0.000 1.535 321 C CB -0.816 26.201 27.740 -1.206 0.000 1.785 321 C HN 0.970 nan 8.230 nan 0.000 0.440 322 E N 1.799 121.811 120.200 -0.313 0.000 2.160 322 E HA -0.217 4.134 4.350 0.002 0.000 0.195 322 E C 0.880 177.420 176.600 -0.100 0.000 0.991 322 E CA 1.468 57.796 56.400 -0.120 0.000 0.810 322 E CB -0.041 29.654 29.700 -0.007 0.000 0.742 322 E HN 0.646 nan 8.360 nan 0.000 0.466 323 N N 0.709 119.419 118.700 0.015 0.000 2.280 323 N HA 0.157 4.899 4.740 0.002 0.000 0.192 323 N C -0.232 175.248 175.510 -0.050 0.000 1.109 323 N CA 0.601 53.677 53.050 0.043 0.000 0.855 323 N CB 0.880 39.470 38.487 0.172 0.000 0.974 323 N HN 0.218 nan 8.380 nan 0.000 0.482 324 A N 0.820 123.490 122.820 -0.251 0.000 2.327 324 A HA 0.483 4.804 4.320 0.002 0.000 0.283 324 A C 0.871 178.371 177.584 -0.139 0.000 1.127 324 A CA -0.415 51.450 52.037 -0.287 0.000 0.810 324 A CB 0.354 18.806 19.000 -0.913 0.000 1.066 324 A HN 0.222 nan 8.150 nan 0.000 0.492 325 T N -0.716 113.863 114.554 0.043 0.000 2.849 325 T HA 0.551 4.902 4.350 0.002 0.000 0.276 325 T C 0.586 175.450 174.700 0.273 0.000 0.971 325 T CA -0.099 62.088 62.100 0.144 0.000 0.949 325 T CB 0.369 69.445 68.868 0.346 0.000 1.093 325 T HN 1.694 nan 8.240 nan 0.000 0.545 326 V N -0.901 119.175 119.914 0.271 0.000 3.061 326 V HA 0.440 4.562 4.120 0.002 0.000 0.306 326 V C 1.694 177.825 176.094 0.061 0.000 1.118 326 V CA 0.309 62.738 62.300 0.214 0.000 1.231 326 V CB -0.773 31.147 31.823 0.162 0.000 0.956 326 V HN 1.910 nan 8.190 nan 0.000 0.499 327 G N 2.923 111.593 108.800 -0.217 0.000 2.184 327 G HA2 -0.360 3.602 3.960 0.002 0.000 0.264 327 G HA3 -0.360 3.602 3.960 0.002 0.000 0.264 327 G C 0.355 174.819 174.900 -0.727 0.000 0.975 327 G CA 1.120 45.828 45.100 -0.654 0.000 0.642 327 G HN 2.052 nan 8.290 nan 0.000 0.536 328 F N 1.145 120.864 119.950 -0.385 0.000 2.202 328 F HA -0.041 4.488 4.527 0.003 0.000 0.301 328 F C 2.211 177.976 175.800 -0.059 0.000 1.082 328 F CA 1.407 59.330 58.000 -0.129 0.000 1.313 328 F CB -0.950 38.087 39.000 0.061 0.000 1.024 328 F HN 0.415 nan 8.300 nan 0.000 0.495 329 Y N -0.119 119.671 120.300 -0.851 0.000 2.632 329 Y HA 0.245 4.797 4.550 0.002 0.000 0.301 329 Y C 1.359 177.201 175.900 -0.096 0.000 1.172 329 Y CA 0.056 57.859 58.100 -0.496 0.000 1.328 329 Y CB -1.287 36.752 38.460 -0.702 0.000 1.016 329 Y HN 0.227 nan 8.280 nan 0.000 0.529 330 L N -0.062 120.932 121.223 -0.382 0.000 2.529 330 L HA 0.228 4.570 4.340 0.002 0.000 0.223 330 L C -0.599 176.163 176.870 -0.179 0.000 1.113 330 L CA 0.081 54.763 54.840 -0.263 0.000 0.861 330 L CB 0.215 42.022 42.059 -0.421 0.000 1.012 330 L HN 0.151 nan 8.230 nan 0.000 0.461 331 L N -0.021 121.087 121.223 -0.191 0.000 2.436 331 L HA 0.392 4.734 4.340 0.002 0.000 0.268 331 L C -2.430 174.065 176.870 -0.625 0.000 0.974 331 L CA -1.198 53.470 54.840 -0.287 0.000 0.826 331 L CB 1.625 43.583 42.059 -0.169 0.000 1.291 331 L HN -0.286 nan 8.230 nan 0.000 0.406 332 P HA 0.168 nan 4.420 nan 0.000 0.225 332 P C -0.640 176.270 177.300 -0.650 0.000 1.813 332 P CA -0.015 62.154 63.100 -1.551 0.000 1.013 332 P CB -0.080 31.018 31.700 -1.005 0.000 1.961 333 N N 0.009 118.470 118.700 -0.398 0.000 2.217 333 N HA 0.045 4.786 4.740 0.002 0.000 0.239 333 N C -0.454 175.047 175.510 -0.015 0.000 1.330 333 N CA -0.257 52.701 53.050 -0.154 0.000 0.838 333 N CB 0.198 38.575 38.487 -0.182 0.000 1.287 333 N HN 0.129 nan 8.380 nan 0.000 0.498 334 T N -3.995 110.595 114.554 0.060 0.000 2.883 334 T HA 0.453 4.805 4.350 0.002 0.000 0.296 334 T C 0.908 175.728 174.700 0.200 0.000 1.117 334 T CA -0.493 61.680 62.100 0.122 0.000 1.006 334 T CB 1.467 70.428 68.868 0.155 0.000 1.191 334 T HN -0.251 nan 8.240 nan 0.000 0.508 335 V N 0.985 120.951 119.914 0.087 0.000 2.407 335 V HA -0.167 3.954 4.120 0.002 0.000 0.248 335 V C 2.610 178.771 176.094 0.111 0.000 1.055 335 V CA 1.716 64.066 62.300 0.083 0.000 1.049 335 V CB -1.180 30.581 31.823 -0.103 0.000 0.662 335 V HN 0.874 nan 8.190 nan 0.000 0.455 336 H N -1.273 117.878 119.070 0.134 0.000 2.387 336 H HA -0.189 4.369 4.556 0.002 0.000 0.299 336 H C 2.150 177.681 175.328 0.338 0.000 1.090 336 H CA 2.055 58.158 56.048 0.091 0.000 1.332 336 H CB -0.510 29.097 29.762 -0.258 0.000 1.386 336 H HN 0.599 nan 8.280 nan 0.000 0.516 337 Y N 1.642 122.180 120.300 0.396 0.000 2.081 337 Y HA -0.305 4.247 4.550 0.002 0.000 0.280 337 Y C 2.745 178.705 175.900 0.100 0.000 1.163 337 Y CA 1.943 60.192 58.100 0.248 0.000 1.135 337 Y CB -0.385 38.053 38.460 -0.038 0.000 0.970 337 Y HN 0.244 nan 8.280 nan 0.000 0.498 338 H N -0.131 119.126 119.070 0.312 0.000 2.357 338 H HA -0.148 4.410 4.556 0.002 0.000 0.301 338 H C 2.235 177.605 175.328 0.071 0.000 1.082 338 H CA 1.668 57.813 56.048 0.162 0.000 1.342 338 H CB -0.442 29.440 29.762 0.200 0.000 1.389 338 H HN 0.593 nan 8.280 nan 0.000 0.511 339 E N 0.954 121.289 120.200 0.226 0.000 2.058 339 E HA -0.130 4.221 4.350 0.002 0.000 0.194 339 E C 2.260 178.936 176.600 0.127 0.000 0.997 339 E CA 1.383 57.884 56.400 0.167 0.000 0.801 339 E CB 0.163 29.980 29.700 0.196 0.000 0.746 339 E HN 0.113 nan 8.360 nan 0.000 0.450 340 V N 1.030 121.032 119.914 0.148 0.000 2.427 340 V HA -0.251 3.871 4.120 0.002 0.000 0.248 340 V C 2.469 178.559 176.094 -0.006 0.000 1.051 340 V CA 1.406 63.773 62.300 0.110 0.000 1.048 340 V CB -0.376 31.596 31.823 0.248 0.000 0.666 340 V HN 0.387 nan 8.190 nan 0.000 0.456 341 M N -0.181 119.356 119.600 -0.106 0.000 2.117 341 M HA -0.181 4.300 4.480 0.002 0.000 0.262 341 M C 2.178 178.456 176.300 -0.036 0.000 1.065 341 M CA 1.783 57.010 55.300 -0.122 0.000 1.114 341 M CB -1.237 31.226 32.600 -0.230 0.000 1.361 341 M HN 0.548 nan 8.290 nan 0.000 0.408 342 E N 0.285 120.491 120.200 0.011 0.000 2.051 342 E HA -0.197 4.155 4.350 0.002 0.000 0.192 342 E C 1.811 178.430 176.600 0.032 0.000 0.991 342 E CA 1.164 57.584 56.400 0.033 0.000 0.799 342 E CB 0.143 29.878 29.700 0.058 0.000 0.748 342 E HN 0.382 nan 8.360 nan 0.000 0.449 343 E N 0.586 120.809 120.200 0.039 0.000 2.070 343 E HA -0.222 4.130 4.350 0.002 0.000 0.197 343 E C 2.293 178.916 176.600 0.038 0.000 1.004 343 E CA 1.307 57.734 56.400 0.045 0.000 0.805 343 E CB -0.303 29.420 29.700 0.038 0.000 0.744 343 E HN 0.486 nan 8.360 nan 0.000 0.451 344 I N 0.747 121.304 120.570 -0.022 0.000 2.179 344 I HA -0.262 3.909 4.170 0.002 0.000 0.242 344 I C 2.766 178.856 176.117 -0.045 0.000 1.088 344 I CA 0.974 62.233 61.300 -0.068 0.000 1.357 344 I CB -0.370 37.501 38.000 -0.215 0.000 1.051 344 I HN 0.041 nan 8.210 nan 0.000 0.409 345 S N 0.779 116.447 115.700 -0.053 0.000 2.359 345 S HA -0.263 4.208 4.470 0.002 0.000 0.223 345 S C 1.753 176.345 174.600 -0.012 0.000 1.039 345 S CA 2.174 60.347 58.200 -0.045 0.000 1.042 345 S CB -0.355 62.834 63.200 -0.018 0.000 0.915 345 S HN 0.373 nan 8.310 nan 0.000 0.439 346 D N 0.250 120.669 120.400 0.033 0.000 2.106 346 D HA -0.114 4.527 4.640 0.002 0.000 0.191 346 D C 1.592 177.944 176.300 0.087 0.000 0.997 346 D CA 1.263 55.299 54.000 0.059 0.000 0.834 346 D CB -0.686 40.164 40.800 0.083 0.000 0.956 346 D HN 0.511 nan 8.370 nan 0.000 0.448 347 F N 1.111 121.036 119.950 -0.040 0.000 2.126 347 F HA -0.148 4.381 4.527 0.003 0.000 0.299 347 F C 2.131 177.888 175.800 -0.072 0.000 1.096 347 F CA 1.132 59.120 58.000 -0.021 0.000 1.255 347 F CB -0.268 38.721 39.000 -0.019 0.000 0.997 347 F HN -0.093 nan 8.300 nan 0.000 0.479 348 L N -0.100 121.015 121.223 -0.181 0.000 2.005 348 L HA -0.246 4.095 4.340 0.002 0.000 0.207 348 L C 2.367 179.105 176.870 -0.221 0.000 1.072 348 L CA 1.370 55.940 54.840 -0.450 0.000 0.744 348 L CB -1.005 40.783 42.059 -0.451 0.000 0.895 348 L HN 0.092 nan 8.230 nan 0.000 0.433 349 N N 0.525 119.154 118.700 -0.118 0.000 2.036 349 N HA -0.215 4.526 4.740 0.002 0.000 0.195 349 N C 1.802 177.284 175.510 -0.047 0.000 1.037 349 N CA 1.803 54.819 53.050 -0.057 0.000 0.855 349 N CB -0.489 37.982 38.487 -0.027 0.000 1.033 349 N HN 0.346 nan 8.380 nan 0.000 0.423 350 A N 0.612 123.400 122.820 -0.052 0.000 2.019 350 A HA -0.075 4.246 4.320 0.002 0.000 0.219 350 A C 1.081 178.619 177.584 -0.077 0.000 1.164 350 A CA 0.951 52.959 52.037 -0.048 0.000 0.644 350 A CB -0.139 18.847 19.000 -0.024 0.000 0.805 350 A HN 0.272 nan 8.150 nan 0.000 0.449 351 N N 0.000 118.639 118.700 -0.102 0.000 1.763 351 N HA 0.000 4.741 4.740 0.002 0.000 0.220 351 N CA 0.000 53.013 53.050 -0.062 0.000 0.885 351 N CB 0.000 38.416 38.487 -0.118 0.000 1.341 351 N HN 0.000 nan 8.380 nan 0.000 0.667