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 1nxd_1_2 DATA FIRST_RESID 1 DATA SEQUENCE ADTIVAVELD TYPNTDIGDP SYPHIGIDIK SVRSKKTAKW NMQNGKVGTA DATA SEQUENCE HIIYNSVDKR LSAVVSYPNA DSATVSYDVD LDNVLPEWVR VGLSASTGLY DATA SEQUENCE KETNTILSWS FTSKLKSNST HETNALHFMF NQFSKDQKDL ILQGDATTGT DATA SEQUENCE DGNLELTRVS SNGSPQGSSV GRALFYAPVH IWESSAVVAS FEATFTFLIK DATA SEQUENCE SPDSHPADGI AFFISNIDSS IPSGSTGRLL GLFPDAN VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.592 177.584 0.013 0.000 1.274 1 A CA 0.000 52.045 52.037 0.013 0.000 0.836 1 A CB 0.000 19.017 19.000 0.028 0.000 0.831 2 D N 0.853 121.249 120.400 -0.005 0.000 2.361 2 D HA 0.478 5.118 4.640 -0.000 0.000 0.239 2 D C -0.025 176.286 176.300 0.018 0.000 1.200 2 D CA 0.830 54.823 54.000 -0.011 0.000 0.915 2 D CB 0.640 41.401 40.800 -0.065 0.000 1.170 2 D HN 0.387 nan 8.370 nan 0.000 0.444 3 T N 1.579 116.151 114.554 0.030 0.000 2.770 3 T HA 0.453 4.802 4.350 -0.000 0.000 0.283 3 T C -0.159 174.571 174.700 0.049 0.000 0.988 3 T CA -0.599 61.540 62.100 0.065 0.000 0.957 3 T CB 0.560 69.478 68.868 0.083 0.000 0.930 3 T HN 0.097 nan 8.240 nan 0.000 0.443 4 I N 3.534 124.143 120.570 0.065 0.000 2.509 4 I HA 0.555 4.725 4.170 -0.000 0.000 0.293 4 I C -0.456 175.736 176.117 0.125 0.000 1.020 4 I CA -0.993 60.319 61.300 0.020 0.000 1.088 4 I CB 1.992 39.819 38.000 -0.288 0.000 1.267 4 I HN 0.296 nan 8.210 nan 0.000 0.430 5 V N 4.568 124.543 119.914 0.101 0.000 2.531 5 V HA 0.890 5.010 4.120 -0.000 0.000 0.301 5 V C -0.139 176.028 176.094 0.121 0.000 1.034 5 V CA -0.375 62.003 62.300 0.131 0.000 0.865 5 V CB 1.833 33.718 31.823 0.103 0.000 0.995 5 V HN 0.967 nan 8.190 nan 0.000 0.424 6 A N 4.137 127.059 122.820 0.170 0.000 2.609 6 A HA 0.906 5.225 4.320 -0.000 0.000 0.291 6 A C -1.638 176.074 177.584 0.213 0.000 1.096 6 A CA -0.569 51.572 52.037 0.172 0.000 0.684 6 A CB 2.175 21.252 19.000 0.127 0.000 1.282 6 A HN 0.614 nan 8.150 nan 0.000 0.412 7 V N 2.066 122.133 119.914 0.255 0.000 2.378 7 V HA 0.430 4.550 4.120 -0.000 0.000 0.288 7 V C -0.229 175.956 176.094 0.151 0.000 1.016 7 V CA -0.317 62.115 62.300 0.220 0.000 0.840 7 V CB 1.191 33.186 31.823 0.287 0.000 0.994 7 V HN 0.975 nan 8.190 nan 0.000 0.431 8 E N 5.340 125.587 120.200 0.078 0.000 2.204 8 E HA 0.663 5.013 4.350 -0.000 0.000 0.276 8 E C -1.395 175.140 176.600 -0.108 0.000 0.974 8 E CA -0.961 55.447 56.400 0.013 0.000 0.815 8 E CB 1.942 31.665 29.700 0.039 0.000 1.119 8 E HN 0.357 nan 8.360 nan 0.000 0.393 9 L N 3.131 124.245 121.223 -0.182 0.000 2.371 9 L HA 0.225 4.565 4.340 -0.000 0.000 0.262 9 L C -0.616 176.210 176.870 -0.073 0.000 1.054 9 L CA -0.293 54.296 54.840 -0.418 0.000 0.924 9 L CB 0.762 42.414 42.059 -0.679 0.000 1.295 9 L HN 0.622 nan 8.230 nan 0.000 0.441 10 D N 0.943 121.297 120.400 -0.077 0.000 2.365 10 D HA 0.088 4.728 4.640 -0.000 0.000 0.237 10 D C 1.250 177.631 176.300 0.136 0.000 1.190 10 D CA 0.092 54.045 54.000 -0.079 0.000 0.867 10 D CB 1.263 41.742 40.800 -0.535 0.000 1.050 10 D HN 0.578 nan 8.370 nan 0.000 0.491 11 T N 1.118 115.810 114.554 0.230 0.000 3.100 11 T HA 0.001 4.351 4.350 -0.000 0.000 0.253 11 T C 0.494 175.274 174.700 0.133 0.000 1.118 11 T CA 0.152 62.354 62.100 0.170 0.000 1.058 11 T CB -0.105 68.851 68.868 0.146 0.000 0.953 11 T HN 0.345 nan 8.240 nan 0.000 0.515 12 Y N 1.903 122.221 120.300 0.030 0.000 2.329 12 Y HA 0.494 5.044 4.550 -0.000 0.000 0.328 12 Y C -3.147 172.804 175.900 0.087 0.000 0.992 12 Y CA -3.017 55.094 58.100 0.018 0.000 1.151 12 Y CB 2.063 40.528 38.460 0.008 0.000 1.150 12 Y HN -0.075 nan 8.280 nan 0.000 0.450 13 P HA 0.173 nan 4.420 nan 0.000 0.269 13 P C -1.353 175.861 177.300 -0.143 0.000 1.252 13 P CA 0.209 63.210 63.100 -0.165 0.000 0.780 13 P CB 0.220 31.786 31.700 -0.223 0.000 0.829 14 N N 1.241 119.990 118.700 0.081 0.000 2.955 14 N HA 0.075 4.815 4.740 -0.000 0.000 0.242 14 N C 1.159 176.689 175.510 0.032 0.000 1.123 14 N CA -0.258 52.872 53.050 0.133 0.000 0.949 14 N CB 0.189 38.788 38.487 0.186 0.000 1.214 14 N HN 0.318 nan 8.380 nan 0.000 0.504 15 T N -2.562 111.983 114.554 -0.016 0.000 3.007 15 T HA -0.189 4.161 4.350 -0.000 0.000 0.270 15 T C 1.273 175.957 174.700 -0.028 0.000 1.107 15 T CA 0.937 63.006 62.100 -0.052 0.000 1.118 15 T CB -0.088 68.740 68.868 -0.068 0.000 0.889 15 T HN 0.404 nan 8.240 nan 0.000 0.506 16 D N 2.507 122.908 120.400 0.003 0.000 2.317 16 D HA -0.060 4.580 4.640 -0.000 0.000 0.211 16 D C 1.488 177.784 176.300 -0.006 0.000 0.966 16 D CA 0.426 54.427 54.000 0.002 0.000 0.876 16 D CB -0.424 40.387 40.800 0.019 0.000 0.927 16 D HN 0.778 nan 8.370 nan 0.000 0.519 17 I N -4.688 115.879 120.570 -0.006 0.000 3.654 17 I HA 0.628 4.798 4.170 -0.000 0.000 0.337 17 I C 1.041 177.135 176.117 -0.038 0.000 1.568 17 I CA -0.378 60.911 61.300 -0.018 0.000 1.115 17 I CB 0.805 38.801 38.000 -0.006 0.000 1.300 17 I HN -0.001 nan 8.210 nan 0.000 0.471 18 G N 0.474 109.242 108.800 -0.053 0.000 2.195 18 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.246 18 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.246 18 G C -0.133 174.693 174.900 -0.122 0.000 0.984 18 G CA 0.118 45.170 45.100 -0.080 0.000 0.633 18 G HN 0.497 nan 8.290 nan 0.000 0.525 19 D N 2.342 122.672 120.400 -0.116 0.000 2.399 19 D HA 0.428 5.068 4.640 -0.000 0.000 0.241 19 D C -1.270 174.813 176.300 -0.362 0.000 1.133 19 D CA -0.757 53.108 54.000 -0.226 0.000 0.890 19 D CB 1.172 41.935 40.800 -0.062 0.000 1.201 19 D HN 0.259 nan 8.370 nan 0.000 0.432 20 P HA 0.056 nan 4.420 nan 0.000 0.274 20 P C -0.140 176.740 177.300 -0.700 0.000 1.256 20 P CA -0.400 62.271 63.100 -0.715 0.000 0.795 20 P CB 0.477 31.543 31.700 -1.055 0.000 1.038 21 S N -0.249 115.080 115.700 -0.617 0.000 2.930 21 S HA 0.207 4.677 4.470 -0.000 0.000 0.257 21 S C -0.174 174.308 174.600 -0.198 0.000 1.208 21 S CA -0.298 57.710 58.200 -0.321 0.000 1.233 21 S CB -1.670 61.452 63.200 -0.130 0.000 0.900 21 S HN 0.477 nan 8.310 nan 0.000 0.472 22 Y N -4.799 115.501 120.300 0.000 0.000 2.641 22 Y HA 0.690 5.240 4.550 -0.000 0.000 0.333 22 Y C -3.597 172.417 175.900 0.191 0.000 1.174 22 Y CA -3.311 54.815 58.100 0.043 0.000 1.057 22 Y CB -0.247 38.237 38.460 0.041 0.000 1.322 22 Y HN -0.133 nan 8.280 nan 0.000 0.457 23 P HA 0.159 nan 4.420 nan 0.000 0.267 23 P C -0.735 176.939 177.300 0.622 0.000 1.200 23 P CA 0.929 64.226 63.100 0.328 0.000 0.772 23 P CB 0.241 31.957 31.700 0.026 0.000 0.855 24 H N 0.885 120.267 119.070 0.520 0.000 2.981 24 H HA 0.554 5.109 4.556 -0.000 0.000 0.327 24 H C -0.934 174.605 175.328 0.352 0.000 1.342 24 H CA -1.087 55.259 56.048 0.497 0.000 1.123 24 H CB 0.534 30.512 29.762 0.360 0.000 1.851 24 H HN 0.305 nan 8.280 nan 0.000 0.531 25 I N -0.834 119.868 120.570 0.221 0.000 2.603 25 I HA 0.900 5.070 4.170 -0.000 0.000 0.300 25 I C -0.225 175.970 176.117 0.130 0.000 1.017 25 I CA -0.853 60.435 61.300 -0.020 0.000 1.098 25 I CB 2.234 40.132 38.000 -0.171 0.000 1.279 25 I HN 0.811 nan 8.210 nan 0.000 0.437 26 G N 4.850 113.703 108.800 0.088 0.000 2.692 26 G HA2 0.654 4.613 3.960 -0.000 0.000 0.291 26 G HA3 0.654 4.613 3.960 -0.000 0.000 0.291 26 G C -1.539 173.414 174.900 0.089 0.000 1.423 26 G CA -0.838 44.334 45.100 0.121 0.000 0.843 26 G HN 0.640 nan 8.290 nan 0.000 0.486 27 I N 1.465 122.072 120.570 0.062 0.000 2.330 27 I HA 0.266 4.436 4.170 -0.000 0.000 0.289 27 I C -1.058 175.069 176.117 0.016 0.000 1.001 27 I CA -0.713 60.629 61.300 0.070 0.000 1.193 27 I CB 1.752 39.804 38.000 0.086 0.000 1.345 27 I HN 0.198 nan 8.210 nan 0.000 0.461 28 D N 7.881 128.334 120.400 0.089 0.000 2.303 28 D HA 0.402 5.042 4.640 -0.000 0.000 0.236 28 D C -0.318 176.064 176.300 0.137 0.000 1.068 28 D CA -0.186 53.869 54.000 0.091 0.000 0.830 28 D CB 2.186 43.109 40.800 0.205 0.000 1.109 28 D HN 0.156 nan 8.370 nan 0.000 0.496 29 I N 2.492 123.103 120.570 0.069 0.000 2.428 29 I HA 0.131 4.300 4.170 -0.000 0.000 0.279 29 I C 0.724 176.902 176.117 0.103 0.000 1.040 29 I CA -0.538 60.832 61.300 0.117 0.000 1.171 29 I CB 0.541 38.618 38.000 0.128 0.000 1.312 29 I HN 0.443 nan 8.210 nan 0.000 0.470 30 K N 1.737 122.261 120.400 0.207 0.000 3.209 30 K HA -0.197 4.123 4.320 -0.000 0.000 0.289 30 K C 0.201 176.808 176.600 0.011 0.000 1.191 30 K CA 0.955 57.379 56.287 0.227 0.000 0.851 30 K CB -0.904 31.673 32.500 0.128 0.000 1.242 30 K HN 0.616 nan 8.250 nan 0.000 0.480 31 S N -0.892 114.604 115.700 -0.340 0.000 2.542 31 S HA 0.291 4.761 4.470 -0.000 0.000 0.276 31 S C 0.189 174.118 174.600 -1.118 0.000 1.148 31 S CA -0.370 57.328 58.200 -0.837 0.000 0.886 31 S CB 2.207 65.189 63.200 -0.363 0.000 1.109 31 S HN 0.086 nan 8.310 nan 0.000 0.458 32 V N 4.127 123.260 119.914 -1.302 0.000 2.970 32 V HA 0.189 4.309 4.120 -0.000 0.000 0.260 32 V C 0.993 176.942 176.094 -0.242 0.000 1.100 32 V CA 1.301 63.246 62.300 -0.590 0.000 1.122 32 V CB -0.516 31.140 31.823 -0.278 0.000 0.721 32 V HN 0.725 nan 8.190 nan 0.000 0.483 33 R N 1.627 121.970 120.500 -0.261 0.000 2.429 33 R HA 0.230 4.570 4.340 -0.000 0.000 0.302 33 R C 0.480 176.700 176.300 -0.135 0.000 1.268 33 R CA -0.063 55.948 56.100 -0.149 0.000 1.090 33 R CB 0.183 30.399 30.300 -0.140 0.000 1.102 33 R HN 0.359 nan 8.270 nan 0.000 0.522 34 S N 2.866 118.518 115.700 -0.081 0.000 2.599 34 S HA -0.063 4.406 4.470 -0.000 0.000 0.303 34 S C 1.207 175.716 174.600 -0.152 0.000 1.267 34 S CA 0.019 58.171 58.200 -0.079 0.000 1.055 34 S CB 0.545 63.748 63.200 0.004 0.000 0.790 34 S HN 0.447 nan 8.310 nan 0.000 0.500 35 K N 1.572 121.809 120.400 -0.272 0.000 2.288 35 K HA 0.124 4.444 4.320 -0.000 0.000 0.201 35 K C 0.500 176.875 176.600 -0.375 0.000 1.048 35 K CA 0.919 56.931 56.287 -0.458 0.000 0.956 35 K CB -0.035 31.824 32.500 -1.067 0.000 0.746 35 K HN 0.518 nan 8.250 nan 0.000 0.461 36 K N 0.045 120.300 120.400 -0.242 0.000 2.542 36 K HA 0.189 4.509 4.320 -0.000 0.000 0.259 36 K C -1.384 175.224 176.600 0.012 0.000 0.932 36 K CA -0.330 55.913 56.287 -0.072 0.000 0.820 36 K CB 1.803 34.304 32.500 0.000 0.000 1.345 36 K HN 0.027 nan 8.250 nan 0.000 0.432 37 T N -0.582 114.007 114.554 0.059 0.000 2.883 37 T HA 0.917 5.266 4.350 -0.000 0.000 0.296 37 T C -1.226 173.572 174.700 0.163 0.000 1.117 37 T CA -0.914 61.264 62.100 0.130 0.000 1.006 37 T CB 1.833 70.767 68.868 0.109 0.000 1.191 37 T HN 0.609 nan 8.240 nan 0.000 0.508 38 A N 1.083 124.040 122.820 0.228 0.000 2.486 38 A HA 0.751 5.071 4.320 -0.000 0.000 0.300 38 A C -0.463 177.313 177.584 0.319 0.000 1.048 38 A CA -1.035 51.131 52.037 0.216 0.000 0.696 38 A CB 1.559 20.648 19.000 0.148 0.000 1.278 38 A HN 1.076 nan 8.150 nan 0.000 0.405 39 K N 0.796 121.327 120.400 0.219 0.000 2.448 39 K HA 0.208 4.528 4.320 -0.000 0.000 0.278 39 K C -1.097 175.673 176.600 0.284 0.000 1.009 39 K CA 0.209 56.572 56.287 0.127 0.000 0.995 39 K CB 0.426 32.706 32.500 -0.366 0.000 0.917 39 K HN 0.652 nan 8.250 nan 0.000 0.481 40 W N 5.656 127.038 121.300 0.136 0.000 2.554 40 W HA 0.324 4.984 4.660 -0.000 0.000 0.324 40 W C -1.259 175.340 176.519 0.132 0.000 1.018 40 W CA -1.131 56.296 57.345 0.137 0.000 1.243 40 W CB 0.750 30.301 29.460 0.152 0.000 1.345 40 W HN 0.498 nan 8.180 nan 0.000 0.441 41 N N 7.904 126.658 118.700 0.089 0.000 2.807 41 N HA 0.091 4.831 4.740 -0.000 0.000 0.259 41 N C 0.169 175.511 175.510 -0.281 0.000 1.149 41 N CA -0.054 52.935 53.050 -0.101 0.000 1.042 41 N CB 0.176 38.669 38.487 0.009 0.000 1.367 41 N HN 0.516 nan 8.380 nan 0.000 0.516 42 M N -0.235 118.908 119.600 -0.762 0.000 2.245 42 M HA 0.164 4.643 4.480 -0.000 0.000 0.330 42 M C -0.112 175.928 176.300 -0.434 0.000 1.098 42 M CA 0.358 55.208 55.300 -0.750 0.000 1.172 42 M CB 0.544 32.410 32.600 -1.223 0.000 1.467 42 M HN 0.058 nan 8.290 nan 0.000 0.454 43 Q N 2.366 121.843 119.800 -0.539 0.000 2.454 43 Q HA 0.368 4.708 4.340 -0.000 0.000 0.255 43 Q C -1.277 174.556 176.000 -0.279 0.000 1.034 43 Q CA -0.313 55.168 55.803 -0.536 0.000 0.736 43 Q CB 1.065 29.265 28.738 -0.898 0.000 1.210 43 Q HN 0.764 nan 8.270 nan 0.000 0.500 44 N N 0.662 119.272 118.700 -0.149 0.000 2.412 44 N HA 0.039 4.779 4.740 -0.000 0.000 0.258 44 N C 0.950 176.444 175.510 -0.026 0.000 1.236 44 N CA 0.799 53.823 53.050 -0.043 0.000 0.882 44 N CB 0.390 38.856 38.487 -0.035 0.000 1.066 44 N HN 0.914 nan 8.380 nan 0.000 0.465 45 G N 0.754 109.575 108.800 0.035 0.000 2.179 45 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.260 45 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.260 45 G C -0.193 174.727 174.900 0.033 0.000 0.977 45 G CA 0.171 45.293 45.100 0.037 0.000 0.641 45 G HN 0.447 nan 8.290 nan 0.000 0.533 46 K N 0.422 120.837 120.400 0.025 0.000 2.164 46 K HA 0.631 4.951 4.320 -0.000 0.000 0.258 46 K C 0.305 176.992 176.600 0.145 0.000 0.951 46 K CA -0.823 55.486 56.287 0.037 0.000 0.844 46 K CB 2.348 34.792 32.500 -0.094 0.000 1.099 46 K HN 0.089 nan 8.250 nan 0.000 0.435 47 V N 2.098 122.067 119.914 0.093 0.000 2.479 47 V HA 0.259 4.379 4.120 -0.000 0.000 0.281 47 V C 0.949 176.981 176.094 -0.103 0.000 1.031 47 V CA -0.089 62.202 62.300 -0.016 0.000 1.038 47 V CB 0.738 32.556 31.823 -0.008 0.000 0.981 47 V HN 0.867 nan 8.190 nan 0.000 0.478 48 G N 3.439 111.832 108.800 -0.679 0.000 2.537 48 G HA2 0.698 4.658 3.960 -0.000 0.000 0.323 48 G HA3 0.698 4.658 3.960 -0.000 0.000 0.323 48 G C -0.719 173.594 174.900 -0.979 0.000 1.207 48 G CA -0.488 43.952 45.100 -1.099 0.000 0.976 48 G HN 0.581 nan 8.290 nan 0.000 0.487 49 T N -0.183 114.060 114.554 -0.518 0.000 2.861 49 T HA 0.680 5.030 4.350 -0.000 0.000 0.287 49 T C -0.356 174.254 174.700 -0.149 0.000 1.003 49 T CA -0.148 61.812 62.100 -0.233 0.000 0.977 49 T CB 1.736 70.518 68.868 -0.144 0.000 0.996 49 T HN 0.955 nan 8.240 nan 0.000 0.448 50 A N 2.455 125.084 122.820 -0.319 0.000 2.343 50 A HA 0.700 5.020 4.320 -0.000 0.000 0.316 50 A C -1.013 176.422 177.584 -0.247 0.000 1.104 50 A CA -0.628 51.139 52.037 -0.450 0.000 0.768 50 A CB 0.903 19.225 19.000 -1.129 0.000 1.213 50 A HN 0.918 nan 8.150 nan 0.000 0.456 51 H N 2.704 121.657 119.070 -0.196 0.000 2.658 51 H HA 0.613 5.169 4.556 -0.000 0.000 0.337 51 H C -1.802 173.488 175.328 -0.063 0.000 1.009 51 H CA -0.339 55.646 56.048 -0.106 0.000 1.231 51 H CB 1.086 30.798 29.762 -0.082 0.000 1.508 51 H HN 0.566 nan 8.280 nan 0.000 0.517 52 I N 7.052 127.404 120.570 -0.363 0.000 2.465 52 I HA 0.329 4.499 4.170 -0.000 0.000 0.291 52 I C -0.140 175.823 176.117 -0.258 0.000 1.014 52 I CA -0.626 60.572 61.300 -0.170 0.000 1.093 52 I CB 1.908 39.894 38.000 -0.024 0.000 1.267 52 I HN 0.437 nan 8.210 nan 0.000 0.431 53 I N 3.052 123.524 120.570 -0.164 0.000 2.865 53 I HA 0.711 4.881 4.170 -0.000 0.000 0.302 53 I C -1.733 174.222 176.117 -0.269 0.000 1.140 53 I CA -1.044 60.103 61.300 -0.255 0.000 1.021 53 I CB 2.534 40.440 38.000 -0.157 0.000 1.233 53 I HN 0.625 nan 8.210 nan 0.000 0.427 54 Y N 3.687 123.584 120.300 -0.670 0.000 2.521 54 Y HA 0.511 5.061 4.550 -0.000 0.000 0.326 54 Y C -1.997 173.628 175.900 -0.458 0.000 1.176 54 Y CA -0.639 57.103 58.100 -0.596 0.000 1.079 54 Y CB 1.750 39.682 38.460 -0.879 0.000 1.341 54 Y HN 0.981 nan 8.280 nan 0.000 0.456 55 N N 0.284 118.444 118.700 -0.901 0.000 2.416 55 N HA 0.360 5.100 4.740 -0.000 0.000 0.276 55 N C -0.539 174.528 175.510 -0.740 0.000 1.261 55 N CA -0.284 52.413 53.050 -0.588 0.000 0.790 55 N CB 1.769 40.059 38.487 -0.328 0.000 1.554 55 N HN 0.427 nan 8.380 nan 0.000 0.481 56 S N -0.648 114.844 115.700 -0.346 0.000 2.561 56 S HA -0.021 4.449 4.470 -0.000 0.000 0.225 56 S C 1.144 175.631 174.600 -0.189 0.000 0.977 56 S CA 0.470 58.544 58.200 -0.211 0.000 0.926 56 S CB -0.485 62.694 63.200 -0.035 0.000 0.769 56 S HN 0.375 nan 8.310 nan 0.000 0.533 57 V N 2.268 122.057 119.914 -0.208 0.000 2.331 57 V HA -0.043 4.077 4.120 -0.000 0.000 0.242 57 V C 2.151 178.146 176.094 -0.165 0.000 1.034 57 V CA 1.735 63.943 62.300 -0.154 0.000 1.027 57 V CB -0.506 31.236 31.823 -0.134 0.000 0.667 57 V HN 0.436 nan 8.190 nan 0.000 0.457 58 D N -0.619 119.653 120.400 -0.215 0.000 2.271 58 D HA 0.007 4.647 4.640 -0.000 0.000 0.206 58 D C 0.722 176.896 176.300 -0.210 0.000 0.967 58 D CA 0.208 54.096 54.000 -0.187 0.000 0.867 58 D CB -0.054 40.641 40.800 -0.175 0.000 0.960 58 D HN 0.296 nan 8.370 nan 0.000 0.509 59 K N 0.530 120.718 120.400 -0.354 0.000 3.148 59 K HA -0.240 4.080 4.320 -0.000 0.000 0.267 59 K C 0.092 176.638 176.600 -0.090 0.000 0.996 59 K CA 0.319 56.425 56.287 -0.301 0.000 0.737 59 K CB -1.540 30.907 32.500 -0.089 0.000 1.308 59 K HN 0.276 nan 8.250 nan 0.000 0.470 60 R N 1.023 121.430 120.500 -0.155 0.000 2.476 60 R HA 0.364 4.704 4.340 -0.000 0.000 0.305 60 R C -0.920 175.479 176.300 0.164 0.000 0.965 60 R CA -0.855 55.258 56.100 0.021 0.000 0.867 60 R CB 0.893 31.171 30.300 -0.037 0.000 1.176 60 R HN 0.130 nan 8.270 nan 0.000 0.447 61 L N 3.523 124.927 121.223 0.301 0.000 2.278 61 L HA 0.471 4.810 4.340 -0.000 0.000 0.287 61 L C -1.142 175.845 176.870 0.194 0.000 1.072 61 L CA 0.637 55.660 54.840 0.306 0.000 0.819 61 L CB 1.375 43.619 42.059 0.309 0.000 1.176 61 L HN 0.685 nan 8.230 nan 0.000 0.435 62 S N 3.455 119.231 115.700 0.127 0.000 2.568 62 S HA 0.965 5.435 4.470 -0.000 0.000 0.293 62 S C -0.830 173.821 174.600 0.085 0.000 1.089 62 S CA -0.401 57.857 58.200 0.097 0.000 0.945 62 S CB 1.866 65.102 63.200 0.059 0.000 1.077 62 S HN 0.911 nan 8.310 nan 0.000 0.485 63 A N 1.518 124.385 122.820 0.079 0.000 2.515 63 A HA 0.831 5.151 4.320 -0.000 0.000 0.298 63 A C -1.525 176.079 177.584 0.034 0.000 1.059 63 A CA -0.630 51.440 52.037 0.054 0.000 0.698 63 A CB 1.350 20.383 19.000 0.055 0.000 1.289 63 A HN 0.614 nan 8.150 nan 0.000 0.404 64 V N 1.791 121.720 119.914 0.025 0.000 2.577 64 V HA 0.581 4.701 4.120 -0.000 0.000 0.303 64 V C -0.735 175.324 176.094 -0.058 0.000 1.042 64 V CA -0.513 61.788 62.300 0.002 0.000 0.872 64 V CB 1.629 33.468 31.823 0.027 0.000 0.998 64 V HN 0.746 nan 8.190 nan 0.000 0.423 65 V N 4.085 123.937 119.914 -0.102 0.000 2.588 65 V HA 0.916 5.035 4.120 -0.000 0.000 0.304 65 V C -0.124 175.919 176.094 -0.085 0.000 1.042 65 V CA -0.165 62.034 62.300 -0.169 0.000 0.877 65 V CB 2.025 33.606 31.823 -0.403 0.000 0.996 65 V HN 1.097 nan 8.190 nan 0.000 0.425 66 S N 3.778 119.396 115.700 -0.137 0.000 2.636 66 S HA 0.791 5.260 4.470 -0.000 0.000 0.268 66 S C -1.813 172.603 174.600 -0.305 0.000 1.159 66 S CA -0.837 57.306 58.200 -0.095 0.000 0.815 66 S CB 1.573 64.774 63.200 0.001 0.000 1.130 66 S HN 0.398 nan 8.310 nan 0.000 0.471 67 Y N -0.028 120.323 120.300 0.085 0.000 2.485 67 Y HA 0.649 5.199 4.550 -0.000 0.000 0.345 67 Y C -2.612 173.298 175.900 0.016 0.000 0.998 67 Y CA -2.228 55.891 58.100 0.032 0.000 1.059 67 Y CB 1.276 39.766 38.460 0.050 0.000 1.234 67 Y HN 0.463 nan 8.280 nan 0.000 0.461 68 P HA 0.013 nan 4.420 nan 0.000 0.265 68 P C -0.538 176.812 177.300 0.084 0.000 1.187 68 P CA 0.696 63.845 63.100 0.081 0.000 0.766 68 P CB 0.210 31.945 31.700 0.057 0.000 0.820 69 N N -0.980 117.754 118.700 0.057 0.000 2.741 69 N HA -0.171 4.569 4.740 -0.000 0.000 0.251 69 N C -0.362 175.182 175.510 0.057 0.000 1.112 69 N CA 0.363 53.440 53.050 0.046 0.000 0.750 69 N CB -1.106 37.401 38.487 0.033 0.000 1.119 69 N HN 0.546 nan 8.380 nan 0.000 0.561 70 A N -0.020 122.851 122.820 0.086 0.000 2.498 70 A HA 0.562 4.881 4.320 -0.000 0.000 0.298 70 A C -1.079 176.566 177.584 0.102 0.000 1.075 70 A CA -0.642 51.457 52.037 0.102 0.000 0.714 70 A CB 1.272 20.369 19.000 0.162 0.000 1.299 70 A HN 0.070 nan 8.150 nan 0.000 0.407 71 D N 2.050 122.505 120.400 0.092 0.000 2.425 71 D HA 0.364 5.003 4.640 -0.000 0.000 0.247 71 D C 0.935 177.305 176.300 0.116 0.000 1.147 71 D CA 0.730 54.779 54.000 0.082 0.000 0.879 71 D CB 1.045 41.884 40.800 0.065 0.000 1.179 71 D HN 0.598 nan 8.370 nan 0.000 0.456 72 S N 0.660 116.413 115.700 0.088 0.000 2.632 72 S HA 0.677 5.146 4.470 -0.000 0.000 0.267 72 S C -0.155 174.507 174.600 0.103 0.000 1.276 72 S CA -0.962 57.293 58.200 0.092 0.000 0.998 72 S CB 1.540 64.764 63.200 0.040 0.000 0.953 72 S HN 0.460 nan 8.310 nan 0.000 0.547 73 A N 0.739 123.624 122.820 0.108 0.000 2.330 73 A HA 0.725 5.045 4.320 -0.000 0.000 0.327 73 A C -0.062 177.551 177.584 0.049 0.000 1.155 73 A CA -0.687 51.414 52.037 0.108 0.000 0.803 73 A CB 1.411 20.515 19.000 0.174 0.000 1.208 73 A HN 0.898 nan 8.150 nan 0.000 0.477 74 T N 0.980 115.568 114.554 0.056 0.000 2.861 74 T HA 0.593 4.943 4.350 -0.000 0.000 0.287 74 T C -1.534 173.204 174.700 0.062 0.000 1.003 74 T CA -0.386 61.743 62.100 0.048 0.000 0.977 74 T CB 1.017 69.910 68.868 0.042 0.000 0.996 74 T HN 1.420 nan 8.240 nan 0.000 0.448 75 V N 3.929 123.883 119.914 0.066 0.000 2.888 75 V HA 0.854 4.974 4.120 -0.000 0.000 0.309 75 V C -1.095 175.062 176.094 0.105 0.000 1.114 75 V CA -0.265 62.088 62.300 0.089 0.000 0.940 75 V CB 2.531 34.410 31.823 0.093 0.000 1.021 75 V HN 1.012 nan 8.190 nan 0.000 0.426 76 S N 4.796 120.572 115.700 0.127 0.000 2.569 76 S HA 0.813 5.283 4.470 -0.000 0.000 0.280 76 S C -1.974 172.771 174.600 0.241 0.000 1.111 76 S CA -0.465 57.826 58.200 0.151 0.000 0.887 76 S CB 1.902 65.162 63.200 0.099 0.000 1.095 76 S HN 0.888 nan 8.310 nan 0.000 0.476 77 Y N 1.341 121.687 120.300 0.076 0.000 2.399 77 Y HA 0.317 4.867 4.550 -0.000 0.000 0.327 77 Y C -1.776 174.176 175.900 0.085 0.000 1.111 77 Y CA -0.986 57.159 58.100 0.074 0.000 1.047 77 Y CB 1.118 39.627 38.460 0.081 0.000 1.259 77 Y HN 0.561 nan 8.280 nan 0.000 0.434 78 D N 5.031 125.173 120.400 -0.430 0.000 2.343 78 D HA 0.406 5.046 4.640 -0.000 0.000 0.255 78 D C -0.928 175.050 176.300 -0.536 0.000 1.187 78 D CA 0.557 54.350 54.000 -0.346 0.000 0.875 78 D CB 1.812 42.461 40.800 -0.252 0.000 1.136 78 D HN 0.363 nan 8.370 nan 0.000 0.469 79 V N 2.400 122.212 119.914 -0.170 0.000 2.924 79 V HA 0.153 4.273 4.120 -0.000 0.000 0.300 79 V C -1.640 174.505 176.094 0.085 0.000 1.227 79 V CA -0.877 61.382 62.300 -0.069 0.000 0.954 79 V CB 2.539 34.406 31.823 0.075 0.000 1.055 79 V HN 0.349 nan 8.190 nan 0.000 0.429 80 D N 5.496 125.914 120.400 0.028 0.000 2.441 80 D HA 0.277 4.917 4.640 -0.000 0.000 0.221 80 D C 1.223 177.509 176.300 -0.023 0.000 1.156 80 D CA -0.100 53.920 54.000 0.032 0.000 0.896 80 D CB 1.135 41.907 40.800 -0.046 0.000 1.028 80 D HN 0.633 nan 8.370 nan 0.000 0.509 81 L N 2.460 123.688 121.223 0.009 0.000 2.349 81 L HA -0.163 4.177 4.340 -0.000 0.000 0.220 81 L C 1.306 177.994 176.870 -0.303 0.000 1.130 81 L CA 0.625 55.404 54.840 -0.102 0.000 0.791 81 L CB -0.087 41.870 42.059 -0.169 0.000 0.918 81 L HN 0.261 nan 8.230 nan 0.000 0.444 82 D N 0.193 120.271 120.400 -0.537 0.000 2.178 82 D HA -0.151 4.489 4.640 -0.000 0.000 0.201 82 D C 1.517 177.342 176.300 -0.792 0.000 0.980 82 D CA 1.161 54.386 54.000 -1.291 0.000 0.842 82 D CB -0.205 40.001 40.800 -0.989 0.000 0.948 82 D HN 0.460 nan 8.370 nan 0.000 0.472 83 N N -0.720 117.765 118.700 -0.358 0.000 2.336 83 N HA 0.049 4.789 4.740 -0.000 0.000 0.189 83 N C 0.843 176.319 175.510 -0.056 0.000 1.113 83 N CA -0.163 52.788 53.050 -0.165 0.000 0.858 83 N CB 1.203 39.627 38.487 -0.104 0.000 0.970 83 N HN -0.004 nan 8.380 nan 0.000 0.471 84 V N 0.325 120.213 119.914 -0.043 0.000 2.948 84 V HA 0.191 4.311 4.120 -0.000 0.000 0.234 84 V C 0.560 176.720 176.094 0.110 0.000 1.205 84 V CA 0.409 62.736 62.300 0.044 0.000 1.234 84 V CB 0.317 32.171 31.823 0.051 0.000 1.020 84 V HN 0.073 nan 8.190 nan 0.000 0.491 85 L N 2.359 123.677 121.223 0.159 0.000 2.375 85 L HA 0.436 4.776 4.340 -0.000 0.000 0.268 85 L C -2.240 174.916 176.870 0.477 0.000 1.058 85 L CA -1.752 53.247 54.840 0.265 0.000 0.803 85 L CB 1.115 43.326 42.059 0.253 0.000 1.212 85 L HN 0.129 nan 8.230 nan 0.000 0.451 86 P HA 0.028 nan 4.420 nan 0.000 0.274 86 P C 0.092 177.492 177.300 0.166 0.000 1.246 86 P CA -0.314 62.965 63.100 0.299 0.000 0.795 86 P CB 0.966 32.767 31.700 0.169 0.000 1.006 87 E N 0.613 120.690 120.200 -0.206 0.000 2.070 87 E HA -0.163 4.187 4.350 -0.000 0.000 0.197 87 E C -0.266 176.038 176.600 -0.493 0.000 1.004 87 E CA 1.221 57.092 56.400 -0.882 0.000 0.805 87 E CB -0.049 29.200 29.700 -0.753 0.000 0.744 87 E HN 0.419 nan 8.360 nan 0.000 0.451 88 W N 0.226 121.403 121.300 -0.206 0.000 2.469 88 W HA 0.396 5.056 4.660 -0.000 0.000 0.320 88 W C -0.271 176.214 176.519 -0.057 0.000 1.086 88 W CA -0.745 56.522 57.345 -0.131 0.000 1.211 88 W CB 1.461 30.812 29.460 -0.181 0.000 1.298 88 W HN -0.115 nan 8.180 nan 0.000 0.525 89 V N 0.125 120.150 119.914 0.185 0.000 3.103 89 V HA 0.691 4.811 4.120 -0.000 0.000 0.311 89 V C -0.885 175.251 176.094 0.069 0.000 1.322 89 V CA -1.762 60.594 62.300 0.093 0.000 1.063 89 V CB 2.183 34.022 31.823 0.026 0.000 1.090 89 V HN 0.540 nan 8.190 nan 0.000 0.462 90 R N -0.059 120.429 120.500 -0.019 0.000 2.750 90 R HA 0.840 5.180 4.340 -0.000 0.000 0.281 90 R C -1.243 174.925 176.300 -0.221 0.000 0.972 90 R CA -0.498 55.565 56.100 -0.062 0.000 0.912 90 R CB 2.339 32.601 30.300 -0.063 0.000 1.187 90 R HN 1.036 nan 8.270 nan 0.000 0.464 91 V N -1.189 118.575 119.914 -0.250 0.000 2.815 91 V HA 1.028 5.147 4.120 -0.000 0.000 0.314 91 V C 0.006 175.895 176.094 -0.341 0.000 1.064 91 V CA -0.430 61.595 62.300 -0.458 0.000 0.952 91 V CB 1.727 33.255 31.823 -0.491 0.000 1.020 91 V HN 0.929 nan 8.190 nan 0.000 0.439 92 G N 1.696 110.003 108.800 -0.820 0.000 2.488 92 G HA2 0.601 4.560 3.960 -0.000 0.000 0.301 92 G HA3 0.601 4.560 3.960 -0.000 0.000 0.301 92 G C -1.981 172.399 174.900 -0.868 0.000 1.339 92 G CA -0.996 43.689 45.100 -0.692 0.000 0.803 92 G HN 0.882 nan 8.290 nan 0.000 0.482 93 L N 0.480 121.346 121.223 -0.594 0.000 2.362 93 L HA 0.794 5.134 4.340 -0.000 0.000 0.271 93 L C -0.017 176.814 176.870 -0.065 0.000 1.002 93 L CA -0.888 53.682 54.840 -0.450 0.000 0.818 93 L CB 2.161 43.706 42.059 -0.858 0.000 1.298 93 L HN 0.576 nan 8.230 nan 0.000 0.420 94 S N 1.376 117.037 115.700 -0.065 0.000 2.569 94 S HA 0.953 5.423 4.470 -0.000 0.000 0.280 94 S C -1.258 173.243 174.600 -0.165 0.000 1.111 94 S CA -0.203 57.913 58.200 -0.139 0.000 0.887 94 S CB 2.035 65.037 63.200 -0.330 0.000 1.095 94 S HN 0.809 nan 8.310 nan 0.000 0.476 95 A N 1.738 124.470 122.820 -0.147 0.000 2.610 95 A HA 0.924 5.244 4.320 -0.000 0.000 0.291 95 A C -0.726 176.805 177.584 -0.089 0.000 1.086 95 A CA -0.289 51.684 52.037 -0.107 0.000 0.677 95 A CB 1.275 20.220 19.000 -0.092 0.000 1.278 95 A HN 1.780 nan 8.150 nan 0.000 0.414 96 S N -0.764 114.901 115.700 -0.057 0.000 2.615 96 S HA 0.909 5.379 4.470 -0.000 0.000 0.269 96 S C -0.513 174.069 174.600 -0.030 0.000 1.161 96 S CA 0.116 58.285 58.200 -0.051 0.000 0.817 96 S CB 1.331 64.495 63.200 -0.060 0.000 1.131 96 S HN 2.280 nan 8.310 nan 0.000 0.467 97 T N -2.273 112.259 114.554 -0.037 0.000 2.865 97 T HA 0.930 5.280 4.350 -0.000 0.000 0.294 97 T C 0.352 175.014 174.700 -0.062 0.000 1.119 97 T CA -0.194 61.886 62.100 -0.034 0.000 1.007 97 T CB 1.206 70.063 68.868 -0.018 0.000 1.225 97 T HN 1.493 nan 8.240 nan 0.000 0.515 98 G N -0.202 108.544 108.800 -0.091 0.000 3.495 98 G HA2 0.433 4.393 3.960 -0.000 0.000 0.178 98 G HA3 0.433 4.393 3.960 -0.000 0.000 0.178 98 G C 0.431 175.228 174.900 -0.172 0.000 1.262 98 G CA 0.062 45.085 45.100 -0.127 0.000 1.096 98 G HN 0.798 nan 8.290 nan 0.000 0.727 99 L N -0.043 121.007 121.223 -0.289 0.000 2.056 99 L HA 0.350 4.690 4.340 -0.000 0.000 0.207 99 L C 0.549 177.146 176.870 -0.455 0.000 1.078 99 L CA 0.991 55.573 54.840 -0.430 0.000 0.749 99 L CB -0.634 41.029 42.059 -0.659 0.000 0.901 99 L HN 0.379 nan 8.230 nan 0.000 0.433 100 Y N 0.371 120.589 120.300 -0.137 0.000 2.496 100 Y HA 0.496 5.045 4.550 -0.000 0.000 0.331 100 Y C 0.326 176.178 175.900 -0.080 0.000 1.140 100 Y CA -1.211 56.838 58.100 -0.085 0.000 1.166 100 Y CB 0.997 39.380 38.460 -0.127 0.000 1.249 100 Y HN -0.067 nan 8.280 nan 0.000 0.479 101 K N 0.661 121.150 120.400 0.149 0.000 2.399 101 K HA 0.683 5.002 4.320 -0.000 0.000 0.260 101 K C -1.628 175.016 176.600 0.074 0.000 1.049 101 K CA -0.905 55.426 56.287 0.074 0.000 0.890 101 K CB 2.730 35.259 32.500 0.048 0.000 1.430 101 K HN 0.867 nan 8.250 nan 0.000 0.459 102 E N -0.823 119.413 120.200 0.059 0.000 2.409 102 E HA 0.209 4.559 4.350 -0.000 0.000 0.280 102 E C -1.277 175.361 176.600 0.064 0.000 1.079 102 E CA -0.945 55.497 56.400 0.069 0.000 0.840 102 E CB 0.981 30.730 29.700 0.082 0.000 1.309 102 E HN 0.656 nan 8.360 nan 0.000 0.447 103 T N -0.548 114.052 114.554 0.076 0.000 2.897 103 T HA 0.389 4.739 4.350 -0.000 0.000 0.294 103 T C -0.175 174.581 174.700 0.093 0.000 1.004 103 T CA -0.632 61.511 62.100 0.071 0.000 1.106 103 T CB 0.188 69.102 68.868 0.077 0.000 0.949 103 T HN 0.514 nan 8.240 nan 0.000 0.520 104 N N 1.507 120.247 118.700 0.065 0.000 2.886 104 N HA 0.250 4.989 4.740 -0.000 0.000 0.285 104 N C -0.960 174.582 175.510 0.053 0.000 1.706 104 N CA -0.534 52.558 53.050 0.069 0.000 0.904 104 N CB 0.886 39.380 38.487 0.013 0.000 1.224 104 N HN 0.604 nan 8.380 nan 0.000 0.488 105 T N 1.279 115.898 114.554 0.107 0.000 2.832 105 T HA 0.285 4.635 4.350 -0.000 0.000 0.296 105 T C 0.226 175.013 174.700 0.144 0.000 0.968 105 T CA -0.123 62.031 62.100 0.090 0.000 1.107 105 T CB 1.032 69.964 68.868 0.108 0.000 0.916 105 T HN 0.100 nan 8.240 nan 0.000 0.517 106 I N 4.340 124.939 120.570 0.050 0.000 2.339 106 I HA 0.256 4.426 4.170 -0.000 0.000 0.290 106 I C 0.900 177.148 176.117 0.217 0.000 0.994 106 I CA -0.547 60.828 61.300 0.124 0.000 1.191 106 I CB 1.408 39.353 38.000 -0.092 0.000 1.343 106 I HN 0.659 nan 8.210 nan 0.000 0.458 107 L N 4.115 125.550 121.223 0.353 0.000 2.463 107 L HA 0.132 4.472 4.340 -0.000 0.000 0.219 107 L C 0.602 177.788 176.870 0.527 0.000 1.088 107 L CA 0.412 55.483 54.840 0.385 0.000 0.849 107 L CB 0.008 42.220 42.059 0.255 0.000 1.012 107 L HN 0.764 nan 8.230 nan 0.000 0.468 108 S N -2.137 113.918 115.700 0.593 0.000 2.552 108 S HA 0.509 4.979 4.470 -0.000 0.000 0.272 108 S C -2.129 172.941 174.600 0.784 0.000 1.150 108 S CA -0.725 57.832 58.200 0.594 0.000 0.849 108 S CB 2.261 65.682 63.200 0.368 0.000 1.113 108 S HN 0.162 nan 8.310 nan 0.000 0.458 109 W N 2.465 124.093 121.300 0.548 0.000 3.615 109 W HA 0.669 5.328 4.660 -0.000 0.000 0.319 109 W C -1.344 175.451 176.519 0.461 0.000 1.172 109 W CA -0.133 57.560 57.345 0.580 0.000 1.240 109 W CB 1.441 31.336 29.460 0.726 0.000 1.313 109 W HN 1.329 nan 8.180 nan 0.000 0.487 110 S N 4.770 120.605 115.700 0.226 0.000 2.599 110 S HA 0.909 5.379 4.470 -0.000 0.000 0.287 110 S C -1.650 172.677 174.600 -0.454 0.000 1.105 110 S CA -0.621 57.427 58.200 -0.253 0.000 0.899 110 S CB 2.735 65.905 63.200 -0.050 0.000 1.100 110 S HN 0.764 nan 8.310 nan 0.000 0.482 111 F N 0.410 119.678 119.950 -1.137 0.000 2.628 111 F HA 0.656 5.183 4.527 -0.000 0.000 0.309 111 F C -1.430 173.980 175.800 -0.650 0.000 1.108 111 F CA 0.018 57.464 58.000 -0.924 0.000 0.971 111 F CB 2.006 40.191 39.000 -1.359 0.000 1.279 111 F HN 0.778 nan 8.300 nan 0.000 0.441 112 T N 3.443 117.362 114.554 -1.058 0.000 2.921 112 T HA 0.563 4.913 4.350 -0.000 0.000 0.297 112 T C -1.476 172.720 174.700 -0.839 0.000 1.013 112 T CA -0.790 60.916 62.100 -0.657 0.000 0.990 112 T CB 1.619 70.313 68.868 -0.291 0.000 1.023 112 T HN 0.603 nan 8.240 nan 0.000 0.447 113 S N 2.456 117.871 115.700 -0.475 0.000 2.557 113 S HA 0.700 5.169 4.470 -0.000 0.000 0.291 113 S C -1.432 173.130 174.600 -0.063 0.000 1.116 113 S CA -0.800 57.276 58.200 -0.206 0.000 0.992 113 S CB 0.676 63.888 63.200 0.019 0.000 1.028 113 S HN 0.598 nan 8.310 nan 0.000 0.484 114 K N 2.603 122.984 120.400 -0.031 0.000 2.422 114 K HA 0.651 4.971 4.320 -0.000 0.000 0.251 114 K C -1.857 174.730 176.600 -0.021 0.000 0.933 114 K CA -0.857 55.413 56.287 -0.028 0.000 0.798 114 K CB 1.905 34.375 32.500 -0.050 0.000 1.238 114 K HN 0.368 nan 8.250 nan 0.000 0.428 115 L N 2.389 123.591 121.223 -0.036 0.000 2.441 115 L HA 0.345 4.685 4.340 -0.000 0.000 0.270 115 L C -0.840 176.007 176.870 -0.039 0.000 0.973 115 L CA -0.284 54.520 54.840 -0.060 0.000 0.842 115 L CB 1.736 43.708 42.059 -0.145 0.000 1.239 115 L HN 0.462 nan 8.230 nan 0.000 0.406 116 K N 1.971 122.352 120.400 -0.032 0.000 2.234 116 K HA 0.458 4.778 4.320 -0.000 0.000 0.277 116 K C -0.049 176.558 176.600 0.012 0.000 1.038 116 K CA -0.254 56.023 56.287 -0.016 0.000 0.888 116 K CB 1.253 33.726 32.500 -0.046 0.000 1.091 116 K HN 0.553 nan 8.250 nan 0.000 0.467 117 S N 2.889 118.618 115.700 0.048 0.000 2.549 117 S HA -0.021 4.449 4.470 -0.000 0.000 0.283 117 S C 1.038 175.734 174.600 0.160 0.000 1.320 117 S CA -0.341 57.906 58.200 0.078 0.000 1.058 117 S CB 0.560 63.804 63.200 0.073 0.000 0.882 117 S HN 0.841 nan 8.310 nan 0.000 0.498 118 N N 2.862 121.642 118.700 0.134 0.000 2.409 118 N HA -0.096 4.644 4.740 -0.000 0.000 0.179 118 N C 1.571 177.151 175.510 0.117 0.000 1.032 118 N CA 1.342 54.502 53.050 0.183 0.000 0.898 118 N CB -0.077 38.476 38.487 0.109 0.000 0.971 118 N HN 0.728 nan 8.380 nan 0.000 0.441 119 S N -1.135 114.600 115.700 0.057 0.000 2.458 119 S HA -0.030 4.440 4.470 -0.000 0.000 0.223 119 S C 1.812 176.373 174.600 -0.064 0.000 1.019 119 S CA 1.239 59.432 58.200 -0.012 0.000 0.937 119 S CB -0.086 63.120 63.200 0.011 0.000 0.788 119 S HN 0.416 nan 8.310 nan 0.000 0.511 120 T N -2.972 111.575 114.554 -0.012 0.000 2.958 120 T HA 0.298 4.648 4.350 -0.000 0.000 0.256 120 T C 0.469 175.202 174.700 0.056 0.000 0.983 120 T CA 0.409 62.497 62.100 -0.020 0.000 0.924 120 T CB -0.734 68.146 68.868 0.020 0.000 1.136 120 T HN 0.584 nan 8.240 nan 0.000 0.506 121 H N 1.121 120.193 119.070 0.004 0.000 3.080 121 H HA -0.110 4.446 4.556 -0.000 0.000 0.254 121 H C -0.389 174.938 175.328 -0.002 0.000 1.179 121 H CA 0.569 56.617 56.048 -0.001 0.000 1.144 121 H CB -1.276 28.484 29.762 -0.003 0.000 1.261 121 H HN 0.610 nan 8.280 nan 0.000 0.333 122 E N 0.744 121.012 120.200 0.114 0.000 2.250 122 E HA 0.368 4.718 4.350 -0.000 0.000 0.269 122 E C 0.047 176.673 176.600 0.044 0.000 1.018 122 E CA -0.374 56.063 56.400 0.063 0.000 0.873 122 E CB 1.566 31.296 29.700 0.051 0.000 1.134 122 E HN 0.065 nan 8.360 nan 0.000 0.403 123 T N 1.713 116.283 114.554 0.027 0.000 2.885 123 T HA 0.378 4.728 4.350 -0.000 0.000 0.285 123 T C -0.561 174.153 174.700 0.024 0.000 1.019 123 T CA -0.853 61.256 62.100 0.015 0.000 1.010 123 T CB 0.897 69.763 68.868 -0.004 0.000 1.022 123 T HN 0.241 nan 8.240 nan 0.000 0.466 124 N N 1.015 119.729 118.700 0.024 0.000 2.362 124 N HA 0.768 5.508 4.740 -0.000 0.000 0.298 124 N C -1.030 174.500 175.510 0.035 0.000 1.048 124 N CA -0.437 52.641 53.050 0.046 0.000 0.858 124 N CB 1.707 40.233 38.487 0.066 0.000 1.218 124 N HN 0.859 nan 8.380 nan 0.000 0.488 125 A N 1.147 123.998 122.820 0.051 0.000 2.556 125 A HA 0.783 5.103 4.320 -0.000 0.000 0.294 125 A C -1.862 175.768 177.584 0.077 0.000 1.091 125 A CA -0.498 51.562 52.037 0.039 0.000 0.704 125 A CB 1.236 20.240 19.000 0.007 0.000 1.300 125 A HN 0.532 nan 8.150 nan 0.000 0.406 126 L N 1.155 122.421 121.223 0.072 0.000 2.464 126 L HA 0.823 5.163 4.340 -0.000 0.000 0.266 126 L C -1.229 175.669 176.870 0.046 0.000 0.965 126 L CA -0.060 54.848 54.840 0.113 0.000 0.833 126 L CB 2.048 44.233 42.059 0.209 0.000 1.296 126 L HN 0.990 nan 8.230 nan 0.000 0.405 127 H N 4.248 123.269 119.070 -0.081 0.000 2.856 127 H HA 0.728 5.284 4.556 -0.000 0.000 0.355 127 H C -1.881 173.325 175.328 -0.204 0.000 1.079 127 H CA -0.636 55.278 56.048 -0.224 0.000 1.240 127 H CB 1.397 31.044 29.762 -0.193 0.000 1.701 127 H HN 0.532 nan 8.280 nan 0.000 0.527 128 F N 3.199 122.447 119.950 -1.171 0.000 2.601 128 F HA 0.627 5.154 4.527 -0.000 0.000 0.309 128 F C -1.756 173.325 175.800 -1.198 0.000 1.089 128 F CA -1.400 55.905 58.000 -1.159 0.000 0.940 128 F CB 1.753 40.024 39.000 -1.216 0.000 1.273 128 F HN 0.612 nan 8.300 nan 0.000 0.450 129 M N 4.143 123.329 119.600 -0.690 0.000 2.271 129 M HA 0.597 5.077 4.480 -0.000 0.000 0.285 129 M C -2.542 173.481 176.300 -0.461 0.000 1.059 129 M CA -0.279 54.763 55.300 -0.431 0.000 0.940 129 M CB 1.787 34.278 32.600 -0.183 0.000 1.636 129 M HN 0.733 nan 8.290 nan 0.000 0.460 130 F N 3.967 123.917 119.950 0.000 0.000 2.449 130 F HA 0.457 4.984 4.527 -0.000 0.000 0.342 130 F C 0.769 176.469 175.800 -0.166 0.000 1.127 130 F CA -0.578 57.298 58.000 -0.207 0.000 0.975 130 F CB 1.361 40.092 39.000 -0.447 0.000 1.146 130 F HN 0.630 nan 8.300 nan 0.000 0.444 131 N N 1.846 120.544 118.700 -0.002 0.000 2.159 131 N HA 0.035 4.775 4.740 -0.000 0.000 0.217 131 N C -0.726 174.798 175.510 0.024 0.000 1.223 131 N CA 0.251 53.336 53.050 0.058 0.000 0.896 131 N CB 1.078 39.605 38.487 0.067 0.000 1.064 131 N HN 0.648 nan 8.380 nan 0.000 0.518 132 Q N 0.036 119.765 119.800 -0.118 0.000 2.281 132 Q HA 0.299 4.639 4.340 -0.000 0.000 0.263 132 Q C -1.867 174.016 176.000 -0.195 0.000 0.989 132 Q CA -0.388 55.391 55.803 -0.040 0.000 0.852 132 Q CB 1.222 29.980 28.738 0.034 0.000 1.337 132 Q HN -0.116 nan 8.270 nan 0.000 0.418 133 F N 1.627 121.643 119.950 0.109 0.000 2.427 133 F HA 0.470 4.997 4.527 -0.000 0.000 0.346 133 F C 0.644 176.467 175.800 0.038 0.000 1.120 133 F CA -0.482 57.545 58.000 0.044 0.000 1.033 133 F CB 1.947 40.946 39.000 -0.001 0.000 1.126 133 F HN 0.465 nan 8.300 nan 0.000 0.462 134 S N 1.950 117.752 115.700 0.169 0.000 2.713 134 S HA 0.326 4.795 4.470 -0.000 0.000 0.283 134 S C 1.111 175.766 174.600 0.092 0.000 1.161 134 S CA -0.900 57.367 58.200 0.111 0.000 0.999 134 S CB 1.623 64.868 63.200 0.075 0.000 1.039 134 S HN 0.783 nan 8.310 nan 0.000 0.548 135 K N -0.167 120.271 120.400 0.064 0.000 2.160 135 K HA -0.160 4.160 4.320 -0.000 0.000 0.206 135 K C -0.221 176.399 176.600 0.033 0.000 1.047 135 K CA 1.755 58.069 56.287 0.044 0.000 0.930 135 K CB -0.120 32.399 32.500 0.033 0.000 0.720 135 K HN 0.701 nan 8.250 nan 0.000 0.450 136 D N 0.732 121.152 120.400 0.034 0.000 2.441 136 D HA 0.061 4.700 4.640 -0.000 0.000 0.287 136 D C -1.474 174.840 176.300 0.023 0.000 1.198 136 D CA -0.360 53.653 54.000 0.021 0.000 0.894 136 D CB 0.857 41.663 40.800 0.011 0.000 1.070 136 D HN -0.035 nan 8.370 nan 0.000 0.499 137 Q N 2.158 121.977 119.800 0.031 0.000 2.553 137 Q HA 0.181 4.520 4.340 -0.000 0.000 0.221 137 Q C 0.911 176.915 176.000 0.006 0.000 1.219 137 Q CA 0.090 55.911 55.803 0.031 0.000 0.955 137 Q CB 0.506 29.267 28.738 0.037 0.000 1.399 137 Q HN 0.215 nan 8.270 nan 0.000 0.551 138 K N 1.076 121.465 120.400 -0.018 0.000 2.442 138 K HA -0.131 4.189 4.320 -0.000 0.000 0.198 138 K C 0.208 176.723 176.600 -0.141 0.000 1.044 138 K CA 1.248 57.488 56.287 -0.079 0.000 0.948 138 K CB 0.353 32.781 32.500 -0.120 0.000 0.762 138 K HN 0.608 nan 8.250 nan 0.000 0.472 139 D N -0.191 120.168 120.400 -0.068 0.000 2.325 139 D HA 0.014 4.654 4.640 -0.000 0.000 0.225 139 D C 0.071 176.342 176.300 -0.048 0.000 1.096 139 D CA 0.147 54.080 54.000 -0.112 0.000 0.844 139 D CB 0.024 40.834 40.800 0.018 0.000 0.925 139 D HN 0.040 nan 8.370 nan 0.000 0.513 140 L N 0.378 121.616 121.223 0.025 0.000 2.362 140 L HA 0.474 4.814 4.340 -0.000 0.000 0.271 140 L C -0.380 176.531 176.870 0.069 0.000 1.002 140 L CA -1.040 53.823 54.840 0.039 0.000 0.818 140 L CB 2.658 44.714 42.059 -0.005 0.000 1.298 140 L HN -0.186 nan 8.230 nan 0.000 0.420 141 I N 4.248 124.838 120.570 0.034 0.000 2.306 141 I HA 0.286 4.456 4.170 -0.000 0.000 0.288 141 I C -0.359 175.754 176.117 -0.007 0.000 1.036 141 I CA -0.318 60.980 61.300 -0.002 0.000 1.221 141 I CB 0.955 38.900 38.000 -0.091 0.000 1.385 141 I HN 0.318 nan 8.210 nan 0.000 0.472 142 L N 7.149 128.366 121.223 -0.010 0.000 2.292 142 L HA 0.430 4.769 4.340 -0.000 0.000 0.284 142 L C -0.155 176.695 176.870 -0.033 0.000 1.065 142 L CA -0.415 54.408 54.840 -0.028 0.000 0.806 142 L CB 0.895 42.934 42.059 -0.033 0.000 1.175 142 L HN 0.571 nan 8.230 nan 0.000 0.431 143 Q N 1.496 121.271 119.800 -0.042 0.000 2.394 143 Q HA 0.607 4.947 4.340 -0.000 0.000 0.273 143 Q C 0.405 176.369 176.000 -0.059 0.000 1.089 143 Q CA -0.245 55.529 55.803 -0.048 0.000 0.812 143 Q CB 2.576 31.285 28.738 -0.049 0.000 1.353 143 Q HN 0.823 nan 8.270 nan 0.000 0.438 144 G N 2.073 110.839 108.800 -0.057 0.000 2.556 144 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.283 144 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.283 144 G C -0.059 174.809 174.900 -0.053 0.000 1.177 144 G CA 0.340 45.405 45.100 -0.059 0.000 0.978 144 G HN 0.742 nan 8.290 nan 0.000 0.554 145 D N 2.018 122.385 120.400 -0.056 0.000 2.340 145 D HA 0.417 5.057 4.640 -0.000 0.000 0.220 145 D C 1.470 177.737 176.300 -0.055 0.000 1.039 145 D CA 0.918 54.888 54.000 -0.049 0.000 0.866 145 D CB -0.243 40.529 40.800 -0.046 0.000 0.913 145 D HN 0.874 nan 8.370 nan 0.000 0.523 146 A N 1.119 123.899 122.820 -0.067 0.000 2.511 146 A HA 0.391 4.711 4.320 -0.000 0.000 0.242 146 A C 0.849 178.391 177.584 -0.070 0.000 1.069 146 A CA 0.165 52.154 52.037 -0.081 0.000 0.763 146 A CB 0.065 19.006 19.000 -0.097 0.000 1.001 146 A HN 0.179 nan 8.150 nan 0.000 0.498 147 T N -0.790 113.718 114.554 -0.077 0.000 2.883 147 T HA 0.833 5.183 4.350 -0.000 0.000 0.296 147 T C -0.394 174.262 174.700 -0.074 0.000 1.117 147 T CA -0.041 62.024 62.100 -0.057 0.000 1.006 147 T CB 1.708 70.555 68.868 -0.036 0.000 1.191 147 T HN 1.406 nan 8.240 nan 0.000 0.508 148 T N -2.575 111.958 114.554 -0.036 0.000 2.903 148 T HA 0.772 5.122 4.350 -0.000 0.000 0.299 148 T C 0.860 175.584 174.700 0.041 0.000 1.093 148 T CA -0.013 62.083 62.100 -0.007 0.000 1.002 148 T CB 1.288 70.176 68.868 0.033 0.000 1.127 148 T HN 2.053 nan 8.240 nan 0.000 0.488 149 G N 1.390 110.240 108.800 0.083 0.000 2.491 149 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.203 149 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.203 149 G C 0.417 175.360 174.900 0.071 0.000 1.052 149 G CA 0.243 45.391 45.100 0.080 0.000 0.675 149 G HN 1.791 nan 8.290 nan 0.000 0.504 150 T N 0.448 115.034 114.554 0.052 0.000 2.765 150 T HA 0.431 4.781 4.350 -0.000 0.000 0.284 150 T C 0.537 175.277 174.700 0.066 0.000 0.946 150 T CA 0.879 63.008 62.100 0.048 0.000 1.185 150 T CB 0.847 69.734 68.868 0.032 0.000 0.887 150 T HN 0.704 nan 8.240 nan 0.000 0.532 151 D N 2.436 122.877 120.400 0.068 0.000 3.079 151 D HA -0.190 4.449 4.640 -0.000 0.000 0.214 151 D C 1.232 177.597 176.300 0.109 0.000 1.145 151 D CA 2.092 56.139 54.000 0.079 0.000 0.958 151 D CB -1.589 39.256 40.800 0.076 0.000 1.117 151 D HN 1.486 nan 8.370 nan 0.000 0.416 152 G N -0.956 107.918 108.800 0.124 0.000 2.148 152 G HA2 -0.339 3.621 3.960 -0.000 0.000 0.254 152 G HA3 -0.339 3.621 3.960 -0.000 0.000 0.254 152 G C 0.181 175.251 174.900 0.284 0.000 0.981 152 G CA 0.458 45.662 45.100 0.174 0.000 0.670 152 G HN 0.485 nan 8.290 nan 0.000 0.528 153 N N -0.731 118.104 118.700 0.224 0.000 2.518 153 N HA 0.681 5.421 4.740 -0.000 0.000 0.284 153 N C -0.553 174.950 175.510 -0.011 0.000 1.230 153 N CA -0.712 52.470 53.050 0.220 0.000 0.941 153 N CB 1.625 40.190 38.487 0.130 0.000 1.219 153 N HN 0.323 nan 8.380 nan 0.000 0.560 154 L N 0.904 121.909 121.223 -0.363 0.000 2.280 154 L HA 0.354 4.694 4.340 -0.000 0.000 0.287 154 L C -0.529 176.174 176.870 -0.279 0.000 1.023 154 L CA -0.178 54.322 54.840 -0.567 0.000 0.819 154 L CB 0.549 41.855 42.059 -1.254 0.000 1.212 154 L HN 0.287 nan 8.230 nan 0.000 0.420 155 E N 6.156 126.255 120.200 -0.169 0.000 2.035 155 E HA 0.169 4.519 4.350 -0.000 0.000 0.271 155 E C 0.856 177.389 176.600 -0.112 0.000 0.953 155 E CA -0.150 56.192 56.400 -0.098 0.000 0.777 155 E CB 1.451 31.122 29.700 -0.049 0.000 1.104 155 E HN 0.794 nan 8.360 nan 0.000 0.408 156 L N 1.465 122.615 121.223 -0.121 0.000 2.083 156 L HA -0.119 4.221 4.340 -0.000 0.000 0.209 156 L C 1.369 178.187 176.870 -0.086 0.000 1.083 156 L CA 1.243 56.008 54.840 -0.124 0.000 0.752 156 L CB -0.279 41.696 42.059 -0.140 0.000 0.899 156 L HN 0.391 nan 8.230 nan 0.000 0.433 157 T N -3.279 111.239 114.554 -0.060 0.000 2.924 157 T HA 0.450 4.799 4.350 -0.000 0.000 0.291 157 T C -0.205 174.477 174.700 -0.031 0.000 1.045 157 T CA -0.973 61.100 62.100 -0.044 0.000 1.015 157 T CB 2.172 71.020 68.868 -0.033 0.000 1.103 157 T HN -0.113 nan 8.240 nan 0.000 0.496 158 R N 0.575 121.058 120.500 -0.027 0.000 2.537 158 R HA 0.413 4.753 4.340 -0.000 0.000 0.281 158 R C -0.979 175.317 176.300 -0.007 0.000 0.988 158 R CA 0.315 56.404 56.100 -0.019 0.000 1.077 158 R CB -0.381 29.907 30.300 -0.019 0.000 0.932 158 R HN 0.588 nan 8.270 nan 0.000 0.409 159 V N 4.129 124.040 119.914 -0.003 0.000 2.789 159 V HA 0.350 4.470 4.120 -0.000 0.000 0.311 159 V C -0.147 175.951 176.094 0.006 0.000 1.073 159 V CA -0.688 61.616 62.300 0.006 0.000 0.921 159 V CB 2.104 33.934 31.823 0.011 0.000 1.009 159 V HN 1.040 nan 8.190 nan 0.000 0.426 160 S N 2.366 118.072 115.700 0.009 0.000 2.671 160 S HA 0.290 4.760 4.470 -0.000 0.000 0.272 160 S C 1.334 175.941 174.600 0.011 0.000 1.174 160 S CA 0.157 58.362 58.200 0.009 0.000 1.004 160 S CB 1.195 64.400 63.200 0.008 0.000 1.077 160 S HN 0.914 nan 8.310 nan 0.000 0.553 161 S N 1.381 117.087 115.700 0.011 0.000 2.371 161 S HA -0.174 4.296 4.470 -0.000 0.000 0.224 161 S C 1.907 176.516 174.600 0.015 0.000 1.029 161 S CA 0.831 59.039 58.200 0.012 0.000 0.978 161 S CB -1.114 62.092 63.200 0.011 0.000 0.833 161 S HN 0.884 nan 8.310 nan 0.000 0.466 162 N N 2.838 121.547 118.700 0.015 0.000 2.149 162 N HA -0.095 4.645 4.740 -0.000 0.000 0.188 162 N C 1.437 176.959 175.510 0.019 0.000 1.019 162 N CA 2.139 55.198 53.050 0.016 0.000 0.857 162 N CB -0.825 37.671 38.487 0.015 0.000 0.997 162 N HN 0.662 nan 8.380 nan 0.000 0.426 163 G N -1.189 107.623 108.800 0.020 0.000 2.485 163 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.181 163 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.181 163 G C -0.393 174.523 174.900 0.027 0.000 0.999 163 G CA 0.131 45.245 45.100 0.025 0.000 0.721 163 G HN 0.438 nan 8.290 nan 0.000 0.486 164 S N 3.761 119.475 115.700 0.024 0.000 2.533 164 S HA 0.485 4.955 4.470 -0.000 0.000 0.282 164 S C -1.919 172.696 174.600 0.024 0.000 1.304 164 S CA -0.472 57.744 58.200 0.027 0.000 1.063 164 S CB 1.465 64.679 63.200 0.024 0.000 0.881 164 S HN 0.418 nan 8.310 nan 0.000 0.493 165 P HA 0.092 nan 4.420 nan 0.000 0.275 165 P C -0.786 176.526 177.300 0.021 0.000 1.227 165 P CA -0.465 62.650 63.100 0.027 0.000 0.781 165 P CB 0.494 32.217 31.700 0.037 0.000 0.906 166 Q N 2.059 121.865 119.800 0.010 0.000 2.230 166 Q HA 0.585 4.925 4.340 -0.000 0.000 0.248 166 Q C 0.023 176.020 176.000 -0.005 0.000 0.915 166 Q CA -0.689 55.115 55.803 0.002 0.000 0.900 166 Q CB 0.869 29.603 28.738 -0.006 0.000 1.229 166 Q HN 0.515 nan 8.270 nan 0.000 0.439 167 G N 0.452 109.243 108.800 -0.014 0.000 2.557 167 G HA2 0.355 4.315 3.960 -0.000 0.000 0.292 167 G HA3 0.355 4.315 3.960 -0.000 0.000 0.292 167 G C -0.524 174.349 174.900 -0.044 0.000 1.237 167 G CA -0.517 44.564 45.100 -0.032 0.000 0.978 167 G HN 0.928 nan 8.290 nan 0.000 0.498 168 S N -1.699 113.966 115.700 -0.060 0.000 3.549 168 S HA -0.172 4.298 4.470 -0.000 0.000 0.366 168 S C 0.407 174.977 174.600 -0.049 0.000 1.012 168 S CA 1.011 59.175 58.200 -0.059 0.000 1.141 168 S CB -1.490 61.675 63.200 -0.058 0.000 0.910 168 S HN 1.100 nan 8.310 nan 0.000 0.471 169 S N -0.325 115.347 115.700 -0.047 0.000 2.532 169 S HA 0.839 5.309 4.470 -0.000 0.000 0.301 169 S C -0.614 173.954 174.600 -0.054 0.000 1.083 169 S CA -0.235 57.938 58.200 -0.045 0.000 1.025 169 S CB 2.121 65.299 63.200 -0.036 0.000 1.056 169 S HN 0.852 nan 8.310 nan 0.000 0.494 170 V N 2.893 122.771 119.914 -0.061 0.000 2.891 170 V HA 0.891 5.011 4.120 -0.000 0.000 0.304 170 V C -0.296 175.749 176.094 -0.083 0.000 1.171 170 V CA 0.465 62.719 62.300 -0.078 0.000 0.943 170 V CB 1.523 33.294 31.823 -0.086 0.000 1.037 170 V HN 1.219 nan 8.190 nan 0.000 0.427 171 G N 5.599 114.341 108.800 -0.097 0.000 2.703 171 G HA2 0.790 4.750 3.960 -0.000 0.000 0.294 171 G HA3 0.790 4.750 3.960 -0.000 0.000 0.294 171 G C -1.767 173.066 174.900 -0.111 0.000 1.451 171 G CA -0.867 44.175 45.100 -0.096 0.000 0.869 171 G HN 0.820 nan 8.290 nan 0.000 0.516 172 R N -0.664 119.780 120.500 -0.093 0.000 2.799 172 R HA 0.822 5.161 4.340 -0.000 0.000 0.270 172 R C -1.182 175.087 176.300 -0.051 0.000 1.010 172 R CA -1.034 55.028 56.100 -0.063 0.000 0.916 172 R CB 2.503 32.793 30.300 -0.017 0.000 1.228 172 R HN 0.932 nan 8.270 nan 0.000 0.469 173 A N 1.881 124.668 122.820 -0.055 0.000 2.375 173 A HA 0.658 4.978 4.320 -0.000 0.000 0.295 173 A C -1.443 176.152 177.584 0.019 0.000 1.066 173 A CA -0.598 51.414 52.037 -0.041 0.000 0.722 173 A CB 0.918 19.855 19.000 -0.105 0.000 1.206 173 A HN 0.386 nan 8.150 nan 0.000 0.435 174 L N 1.943 123.212 121.223 0.077 0.000 2.346 174 L HA 0.578 4.917 4.340 -0.000 0.000 0.274 174 L C -0.210 176.766 176.870 0.177 0.000 1.007 174 L CA -0.411 54.490 54.840 0.102 0.000 0.818 174 L CB 1.380 43.434 42.059 -0.009 0.000 1.284 174 L HN 0.687 nan 8.230 nan 0.000 0.424 175 F N 1.051 121.044 119.950 0.071 0.000 2.529 175 F HA 0.036 4.563 4.527 -0.000 0.000 0.365 175 F C 1.119 176.897 175.800 -0.037 0.000 1.102 175 F CA 0.087 58.020 58.000 -0.112 0.000 1.271 175 F CB 0.439 39.208 39.000 -0.385 0.000 1.120 175 F HN 0.495 nan 8.300 nan 0.000 0.579 176 Y N 4.414 124.190 120.300 -0.873 0.000 2.114 176 Y HA -0.048 4.502 4.550 -0.000 0.000 0.282 176 Y C 1.286 176.923 175.900 -0.437 0.000 1.165 176 Y CA 1.583 59.333 58.100 -0.584 0.000 1.148 176 Y CB -0.522 37.605 38.460 -0.555 0.000 0.972 176 Y HN 0.582 nan 8.280 nan 0.000 0.504 177 A N 0.923 123.509 122.820 -0.391 0.000 2.363 177 A HA 0.373 4.693 4.320 -0.000 0.000 0.270 177 A C -2.382 175.302 177.584 0.167 0.000 1.121 177 A CA -1.408 50.639 52.037 0.017 0.000 0.800 177 A CB -0.306 18.814 19.000 0.200 0.000 1.052 177 A HN 0.165 nan 8.150 nan 0.000 0.493 178 P HA 0.286 nan 4.420 nan 0.000 0.270 178 P C -0.832 176.736 177.300 0.447 0.000 1.223 178 P CA -0.061 63.183 63.100 0.240 0.000 0.785 178 P CB 0.676 32.467 31.700 0.152 0.000 0.923 179 V N 1.619 121.777 119.914 0.407 0.000 2.540 179 V HA 0.199 4.319 4.120 -0.000 0.000 0.302 179 V C -0.146 175.950 176.094 0.004 0.000 1.035 179 V CA -0.482 61.989 62.300 0.284 0.000 0.873 179 V CB 1.394 33.335 31.823 0.197 0.000 0.992 179 V HN 0.565 nan 8.190 nan 0.000 0.428 180 H N 3.662 122.411 119.070 -0.535 0.000 3.008 180 H HA 0.254 4.810 4.556 -0.000 0.000 0.268 180 H C 0.817 175.886 175.328 -0.432 0.000 1.323 180 H CA -0.490 54.898 56.048 -1.100 0.000 1.401 180 H CB 0.915 29.872 29.762 -1.342 0.000 1.556 180 H HN 0.658 nan 8.280 nan 0.000 0.502 181 I N 5.908 126.402 120.570 -0.127 0.000 2.617 181 I HA -0.039 4.131 4.170 -0.000 0.000 0.256 181 I C -0.043 176.191 176.117 0.195 0.000 1.167 181 I CA 0.520 61.866 61.300 0.076 0.000 1.469 181 I CB 0.100 38.176 38.000 0.127 0.000 1.098 181 I HN 0.550 nan 8.210 nan 0.000 0.436 182 W N -0.033 121.233 121.300 -0.056 0.000 3.213 182 W HA 0.606 5.266 4.660 -0.000 0.000 0.318 182 W C -1.308 175.114 176.519 -0.161 0.000 1.248 182 W CA -0.845 56.464 57.345 -0.060 0.000 1.187 182 W CB 0.598 30.088 29.460 0.050 0.000 1.403 182 W HN -0.118 nan 8.180 nan 0.000 0.556 183 E N 0.962 121.263 120.200 0.167 0.000 2.311 183 E HA 0.271 4.621 4.350 -0.000 0.000 0.281 183 E C -0.037 176.724 176.600 0.269 0.000 0.905 183 E CA -0.331 56.078 56.400 0.015 0.000 0.778 183 E CB 2.489 31.999 29.700 -0.317 0.000 1.240 183 E HN 0.369 nan 8.360 nan 0.000 0.410 184 S N 1.209 117.131 115.700 0.370 0.000 2.387 184 S HA -0.181 4.289 4.470 -0.000 0.000 0.230 184 S C 1.572 176.262 174.600 0.151 0.000 1.035 184 S CA 1.694 60.062 58.200 0.281 0.000 1.014 184 S CB -0.143 63.222 63.200 0.274 0.000 0.836 184 S HN 0.635 nan 8.310 nan 0.000 0.466 185 S N 0.856 116.625 115.700 0.114 0.000 2.701 185 S HA 0.493 4.963 4.470 -0.000 0.000 0.220 185 S C 0.368 175.004 174.600 0.060 0.000 0.954 185 S CA -0.094 58.154 58.200 0.080 0.000 0.936 185 S CB -0.201 63.043 63.200 0.073 0.000 0.777 185 S HN 0.430 nan 8.310 nan 0.000 0.518 186 A N 0.825 123.677 122.820 0.052 0.000 2.274 186 A HA 0.681 5.001 4.320 -0.000 0.000 0.309 186 A C 0.904 178.507 177.584 0.031 0.000 1.226 186 A CA -0.643 51.409 52.037 0.026 0.000 0.853 186 A CB 1.167 20.162 19.000 -0.008 0.000 1.146 186 A HN 0.366 nan 8.150 nan 0.000 0.518 187 V N 3.296 123.222 119.914 0.020 0.000 2.548 187 V HA 0.057 4.176 4.120 -0.000 0.000 0.249 187 V C 0.338 176.410 176.094 -0.036 0.000 1.055 187 V CA 1.859 64.156 62.300 -0.004 0.000 1.065 187 V CB -0.040 31.763 31.823 -0.033 0.000 0.681 187 V HN 0.635 nan 8.190 nan 0.000 0.462 188 V N -0.152 119.736 119.914 -0.043 0.000 2.817 188 V HA 0.847 4.967 4.120 -0.000 0.000 0.303 188 V C -0.541 175.530 176.094 -0.038 0.000 1.151 188 V CA -0.077 62.190 62.300 -0.055 0.000 0.929 188 V CB 1.287 33.060 31.823 -0.084 0.000 1.030 188 V HN 0.384 nan 8.190 nan 0.000 0.427 189 A N 3.210 126.015 122.820 -0.025 0.000 2.515 189 A HA 1.063 5.383 4.320 -0.000 0.000 0.298 189 A C -0.470 177.122 177.584 0.012 0.000 1.059 189 A CA -0.031 52.014 52.037 0.013 0.000 0.698 189 A CB 2.260 21.305 19.000 0.075 0.000 1.289 189 A HN 1.677 nan 8.150 nan 0.000 0.404 190 S N -0.151 115.574 115.700 0.042 0.000 2.587 190 S HA 0.884 5.354 4.470 -0.000 0.000 0.269 190 S C -0.942 173.717 174.600 0.100 0.000 1.154 190 S CA -0.476 57.729 58.200 0.009 0.000 0.824 190 S CB 1.159 64.295 63.200 -0.106 0.000 1.118 190 S HN 2.076 nan 8.310 nan 0.000 0.462 191 F N -0.919 119.030 119.950 -0.002 0.000 2.668 191 F HA 0.928 5.455 4.527 -0.000 0.000 0.309 191 F C -1.282 174.413 175.800 -0.175 0.000 1.117 191 F CA -0.729 57.172 58.000 -0.166 0.000 0.951 191 F CB 1.269 40.250 39.000 -0.031 0.000 1.323 191 F HN 1.004 nan 8.300 nan 0.000 0.451 192 E N 1.914 122.070 120.200 -0.073 0.000 2.352 192 E HA 0.807 5.157 4.350 -0.000 0.000 0.280 192 E C -2.151 174.353 176.600 -0.161 0.000 0.930 192 E CA -1.309 55.000 56.400 -0.151 0.000 0.765 192 E CB 2.109 31.661 29.700 -0.247 0.000 1.219 192 E HN 1.241 nan 8.360 nan 0.000 0.434 193 A N 1.947 124.670 122.820 -0.162 0.000 2.414 193 A HA 0.810 5.130 4.320 -0.000 0.000 0.306 193 A C -0.910 176.606 177.584 -0.114 0.000 1.054 193 A CA -0.629 51.339 52.037 -0.116 0.000 0.724 193 A CB 2.266 20.966 19.000 -0.500 0.000 1.267 193 A HN 0.529 nan 8.150 nan 0.000 0.418 194 T N 1.707 116.343 114.554 0.137 0.000 2.952 194 T HA 0.717 5.067 4.350 -0.000 0.000 0.305 194 T C -1.071 173.924 174.700 0.491 0.000 1.064 194 T CA -0.194 62.025 62.100 0.198 0.000 1.008 194 T CB 0.903 69.887 68.868 0.194 0.000 1.078 194 T HN 1.126 nan 8.240 nan 0.000 0.459 195 F N -0.610 119.514 119.950 0.289 0.000 2.654 195 F HA 0.799 5.325 4.527 -0.000 0.000 0.308 195 F C -0.480 175.510 175.800 0.317 0.000 1.108 195 F CA -1.125 57.090 58.000 0.358 0.000 0.957 195 F CB 1.175 40.360 39.000 0.307 0.000 1.309 195 F HN 0.536 nan 8.300 nan 0.000 0.446 196 T N 0.797 115.649 114.554 0.498 0.000 2.829 196 T HA 0.803 5.153 4.350 -0.000 0.000 0.280 196 T C -1.005 173.958 174.700 0.439 0.000 0.999 196 T CA -0.534 61.725 62.100 0.265 0.000 0.983 196 T CB 1.428 70.387 68.868 0.151 0.000 0.968 196 T HN 0.908 nan 8.240 nan 0.000 0.446 197 F N 1.260 121.367 119.950 0.263 0.000 2.620 197 F HA 0.880 5.407 4.527 -0.000 0.000 0.320 197 F C -1.640 174.299 175.800 0.231 0.000 1.069 197 F CA -2.080 56.088 58.000 0.281 0.000 0.953 197 F CB 1.465 40.683 39.000 0.364 0.000 1.322 197 F HN 0.574 nan 8.300 nan 0.000 0.479 198 L N 3.398 124.835 121.223 0.358 0.000 2.427 198 L HA 0.588 4.928 4.340 -0.000 0.000 0.264 198 L C -1.575 175.486 176.870 0.317 0.000 0.989 198 L CA -0.698 54.295 54.840 0.255 0.000 0.865 198 L CB 1.010 43.165 42.059 0.160 0.000 1.209 198 L HN 0.689 nan 8.230 nan 0.000 0.430 199 I N 5.738 126.547 120.570 0.399 0.000 2.339 199 I HA 0.445 4.614 4.170 -0.000 0.000 0.290 199 I C -0.405 175.833 176.117 0.201 0.000 0.994 199 I CA -0.481 61.009 61.300 0.315 0.000 1.191 199 I CB 1.100 39.341 38.000 0.401 0.000 1.343 199 I HN 0.582 nan 8.210 nan 0.000 0.458 200 K N 3.854 124.337 120.400 0.137 0.000 2.498 200 K HA 0.701 5.020 4.320 -0.000 0.000 0.254 200 K C -1.039 175.604 176.600 0.072 0.000 0.933 200 K CA -0.748 55.593 56.287 0.089 0.000 0.806 200 K CB 2.170 34.716 32.500 0.076 0.000 1.301 200 K HN 0.483 nan 8.250 nan 0.000 0.432 201 S N 1.134 116.867 115.700 0.055 0.000 2.774 201 S HA 0.322 4.792 4.470 -0.000 0.000 0.297 201 S C -1.665 172.963 174.600 0.045 0.000 1.143 201 S CA -1.130 57.102 58.200 0.054 0.000 1.090 201 S CB 1.421 64.653 63.200 0.054 0.000 1.019 201 S HN 0.629 nan 8.310 nan 0.000 0.482 202 P HA -0.124 nan 4.420 nan 0.000 0.218 202 P C 0.541 177.864 177.300 0.037 0.000 1.148 202 P CA 1.182 64.305 63.100 0.038 0.000 0.822 202 P CB 0.065 31.787 31.700 0.036 0.000 0.784 203 D N -0.298 120.132 120.400 0.050 0.000 2.178 203 D HA -0.097 4.543 4.640 -0.000 0.000 0.201 203 D C 1.107 177.434 176.300 0.045 0.000 0.980 203 D CA 1.192 55.224 54.000 0.053 0.000 0.842 203 D CB -0.509 40.343 40.800 0.085 0.000 0.948 203 D HN 0.096 nan 8.370 nan 0.000 0.472 204 S N -1.125 114.603 115.700 0.047 0.000 3.450 204 S HA -0.231 4.239 4.470 -0.000 0.000 0.288 204 S C -0.020 174.627 174.600 0.079 0.000 1.256 204 S CA 0.445 58.669 58.200 0.040 0.000 0.910 204 S CB -1.880 61.330 63.200 0.016 0.000 1.090 204 S HN 0.631 nan 8.310 nan 0.000 0.630 205 H N 0.950 119.987 119.070 -0.054 0.000 2.488 205 H HA 0.321 4.877 4.556 -0.000 0.000 0.237 205 H C -2.788 172.505 175.328 -0.057 0.000 1.395 205 H CA -1.333 54.648 56.048 -0.112 0.000 1.491 205 H CB 1.237 30.854 29.762 -0.242 0.000 1.567 205 H HN 0.306 nan 8.280 nan 0.000 0.508 206 P HA 0.477 nan 4.420 nan 0.000 0.278 206 P C -1.007 176.303 177.300 0.018 0.000 1.258 206 P CA -0.314 62.778 63.100 -0.014 0.000 0.811 206 P CB 2.434 34.143 31.700 0.015 0.000 1.063 207 A N 1.028 123.884 122.820 0.060 0.000 2.590 207 A HA 0.390 4.710 4.320 -0.000 0.000 0.294 207 A C -0.665 176.944 177.584 0.041 0.000 1.046 207 A CA -0.422 51.653 52.037 0.063 0.000 0.684 207 A CB 0.235 19.191 19.000 -0.074 0.000 1.279 207 A HN 0.404 nan 8.150 nan 0.000 0.415 208 D N -0.382 120.039 120.400 0.035 0.000 2.454 208 D HA 0.455 5.095 4.640 -0.000 0.000 0.214 208 D C 0.701 177.055 176.300 0.090 0.000 1.088 208 D CA 1.466 55.504 54.000 0.064 0.000 0.855 208 D CB 1.016 41.831 40.800 0.025 0.000 1.025 208 D HN 1.416 nan 8.370 nan 0.000 0.502 209 G N -0.101 108.741 108.800 0.071 0.000 2.361 209 G HA2 0.162 4.122 3.960 -0.000 0.000 0.331 209 G HA3 0.162 4.122 3.960 -0.000 0.000 0.331 209 G C -1.690 173.214 174.900 0.006 0.000 1.324 209 G CA -0.999 44.144 45.100 0.072 0.000 0.984 209 G HN 0.023 nan 8.290 nan 0.000 0.586 210 I N 0.118 120.667 120.570 -0.036 0.000 2.828 210 I HA 0.792 4.962 4.170 -0.000 0.000 0.302 210 I C 0.286 176.349 176.117 -0.089 0.000 1.101 210 I CA -0.944 60.298 61.300 -0.097 0.000 1.031 210 I CB 2.258 40.175 38.000 -0.138 0.000 1.231 210 I HN 1.223 nan 8.210 nan 0.000 0.427 211 A N 3.602 126.359 122.820 -0.104 0.000 2.549 211 A HA 0.720 5.040 4.320 -0.000 0.000 0.297 211 A C -1.708 175.883 177.584 0.013 0.000 1.061 211 A CA -0.405 51.628 52.037 -0.007 0.000 0.690 211 A CB 1.536 20.537 19.000 0.001 0.000 1.287 211 A HN 0.554 nan 8.150 nan 0.000 0.402 212 F N 2.809 122.767 119.950 0.013 0.000 2.420 212 F HA 0.778 5.305 4.527 -0.000 0.000 0.342 212 F C -0.845 175.048 175.800 0.154 0.000 1.113 212 F CA -1.365 56.635 58.000 0.000 0.000 1.059 212 F CB 0.815 39.919 39.000 0.173 0.000 1.128 212 F HN 0.602 nan 8.300 nan 0.000 0.475 213 F N 5.083 124.481 119.950 -0.921 0.000 2.629 213 F HA 0.826 5.353 4.527 -0.000 0.000 0.316 213 F C -1.929 173.408 175.800 -0.772 0.000 1.081 213 F CA -1.861 55.734 58.000 -0.675 0.000 0.954 213 F CB 1.149 39.911 39.000 -0.396 0.000 1.337 213 F HN 0.285 nan 8.300 nan 0.000 0.474 214 I N 2.315 122.667 120.570 -0.363 0.000 2.498 214 I HA 0.639 4.809 4.170 -0.000 0.000 0.290 214 I C -0.681 175.405 176.117 -0.051 0.000 1.032 214 I CA -0.498 60.604 61.300 -0.331 0.000 1.073 214 I CB 2.185 40.031 38.000 -0.257 0.000 1.251 214 I HN 0.937 nan 8.210 nan 0.000 0.426 215 S N 3.938 119.620 115.700 -0.031 0.000 2.705 215 S HA 0.496 4.966 4.470 -0.000 0.000 0.280 215 S C -1.038 173.586 174.600 0.040 0.000 1.174 215 S CA -1.137 57.098 58.200 0.060 0.000 0.823 215 S CB 1.431 64.725 63.200 0.157 0.000 1.162 215 S HN 0.635 nan 8.310 nan 0.000 0.487 216 N N 0.954 119.683 118.700 0.049 0.000 2.441 216 N HA 0.060 4.800 4.740 -0.000 0.000 0.251 216 N C 1.708 177.234 175.510 0.026 0.000 1.242 216 N CA 0.077 53.155 53.050 0.046 0.000 0.898 216 N CB 0.176 38.686 38.487 0.038 0.000 1.100 216 N HN 0.908 nan 8.380 nan 0.000 0.443 217 I N -1.835 118.749 120.570 0.022 0.000 2.315 217 I HA -0.248 3.922 4.170 -0.000 0.000 0.251 217 I C 0.790 176.883 176.117 -0.040 0.000 1.125 217 I CA 1.648 62.942 61.300 -0.010 0.000 1.392 217 I CB -0.446 37.543 38.000 -0.018 0.000 1.065 217 I HN 0.437 nan 8.210 nan 0.000 0.424 218 D N 1.359 121.739 120.400 -0.033 0.000 2.370 218 D HA 0.048 4.688 4.640 -0.000 0.000 0.230 218 D C 0.741 177.020 176.300 -0.035 0.000 1.143 218 D CA -0.136 53.837 54.000 -0.046 0.000 0.834 218 D CB -0.206 40.568 40.800 -0.044 0.000 0.944 218 D HN 0.304 nan 8.370 nan 0.000 0.504 219 S N 0.436 116.126 115.700 -0.016 0.000 2.560 219 S HA 0.295 4.764 4.470 -0.000 0.000 0.284 219 S C 0.168 174.749 174.600 -0.031 0.000 1.327 219 S CA -0.263 57.929 58.200 -0.014 0.000 1.055 219 S CB 0.289 63.511 63.200 0.037 0.000 0.868 219 S HN 0.461 nan 8.310 nan 0.000 0.506 220 S N 4.211 119.873 115.700 -0.064 0.000 2.627 220 S HA 0.569 5.039 4.470 -0.000 0.000 0.283 220 S C -0.476 174.052 174.600 -0.120 0.000 1.127 220 S CA -1.057 57.097 58.200 -0.076 0.000 0.863 220 S CB 0.574 63.736 63.200 -0.064 0.000 1.121 220 S HN 0.690 nan 8.310 nan 0.000 0.479 221 I N 2.374 122.870 120.570 -0.123 0.000 2.662 221 I HA 0.170 4.340 4.170 -0.000 0.000 0.285 221 I C -2.135 173.909 176.117 -0.121 0.000 1.161 221 I CA -1.322 59.887 61.300 -0.151 0.000 1.415 221 I CB -0.032 37.891 38.000 -0.128 0.000 1.385 221 I HN 0.461 nan 8.210 nan 0.000 0.552 222 P HA 0.010 nan 4.420 nan 0.000 0.268 222 P C -0.268 176.991 177.300 -0.068 0.000 1.205 222 P CA -0.215 62.831 63.100 -0.090 0.000 0.771 222 P CB 0.648 32.294 31.700 -0.090 0.000 0.858 223 S N 2.280 117.951 115.700 -0.049 0.000 2.537 223 S HA 0.321 4.791 4.470 -0.000 0.000 0.286 223 S C 1.275 175.854 174.600 -0.035 0.000 1.299 223 S CA 0.770 58.946 58.200 -0.040 0.000 1.067 223 S CB -1.171 62.010 63.200 -0.031 0.000 0.864 223 S HN 0.904 nan 8.310 nan 0.000 0.494 224 G N 3.266 112.044 108.800 -0.037 0.000 2.221 224 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.265 224 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.265 224 G C 0.460 175.341 174.900 -0.031 0.000 1.041 224 G CA 0.571 45.651 45.100 -0.032 0.000 0.807 224 G HN 1.546 nan 8.290 nan 0.000 0.502 225 S N -0.886 114.787 115.700 -0.045 0.000 2.582 225 S HA 0.406 4.876 4.470 -0.000 0.000 0.234 225 S C 1.198 175.765 174.600 -0.054 0.000 0.961 225 S CA 0.784 58.956 58.200 -0.046 0.000 0.953 225 S CB 0.192 63.344 63.200 -0.080 0.000 0.800 225 S HN 1.452 nan 8.310 nan 0.000 0.471 226 T N -1.287 113.235 114.554 -0.053 0.000 2.698 226 T HA 0.599 4.949 4.350 -0.000 0.000 0.295 226 T C 1.318 175.989 174.700 -0.047 0.000 1.007 226 T CA 0.126 62.193 62.100 -0.056 0.000 0.980 226 T CB -0.010 68.823 68.868 -0.057 0.000 1.036 226 T HN 1.243 nan 8.240 nan 0.000 0.526 227 G N 1.729 110.497 108.800 -0.053 0.000 2.583 227 G HA2 -0.387 3.573 3.960 -0.000 0.000 0.292 227 G HA3 -0.387 3.573 3.960 -0.000 0.000 0.292 227 G C 0.853 175.740 174.900 -0.021 0.000 1.203 227 G CA 0.888 45.955 45.100 -0.054 0.000 0.987 227 G HN 1.248 nan 8.290 nan 0.000 0.554 228 R N 0.796 121.294 120.500 -0.002 0.000 2.241 228 R HA 0.125 4.465 4.340 -0.000 0.000 0.224 228 R C 2.220 178.554 176.300 0.058 0.000 1.101 228 R CA 1.816 57.944 56.100 0.048 0.000 0.995 228 R CB -0.393 29.950 30.300 0.071 0.000 0.870 228 R HN 0.511 nan 8.270 nan 0.000 0.463 229 L N 1.269 122.516 121.223 0.041 0.000 2.591 229 L HA 0.168 4.507 4.340 -0.000 0.000 0.228 229 L C 0.647 177.548 176.870 0.052 0.000 1.133 229 L CA -0.022 54.867 54.840 0.081 0.000 0.880 229 L CB -0.246 41.854 42.059 0.069 0.000 1.033 229 L HN 0.197 nan 8.230 nan 0.000 0.450 230 L N 0.661 121.885 121.223 0.001 0.000 3.970 230 L HA -0.315 4.025 4.340 -0.000 0.000 0.425 230 L C 1.232 178.011 176.870 -0.151 0.000 1.162 230 L CA 0.463 55.270 54.840 -0.055 0.000 0.968 230 L CB -2.386 39.657 42.059 -0.028 0.000 1.896 230 L HN 0.584 nan 8.230 nan 0.000 1.006 231 G N -1.102 107.606 108.800 -0.154 0.000 2.168 231 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.257 231 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.257 231 G C 0.652 175.320 174.900 -0.387 0.000 0.997 231 G CA 0.646 45.608 45.100 -0.231 0.000 0.708 231 G HN 0.472 nan 8.290 nan 0.000 0.520 232 L N -2.500 118.471 121.223 -0.420 0.000 2.577 232 L HA 0.490 4.830 4.340 -0.000 0.000 0.225 232 L C 0.678 177.014 176.870 -0.890 0.000 1.053 232 L CA 0.139 54.512 54.840 -0.779 0.000 0.866 232 L CB 0.220 41.706 42.059 -0.955 0.000 1.132 232 L HN 0.127 nan 8.230 nan 0.000 0.486 233 F N -0.148 119.720 119.950 -0.137 0.000 2.561 233 F HA 0.407 4.934 4.527 -0.000 0.000 0.321 233 F C -1.673 174.081 175.800 -0.076 0.000 1.065 233 F CA -2.024 55.920 58.000 -0.093 0.000 0.934 233 F CB 0.853 39.812 39.000 -0.068 0.000 1.215 233 F HN -0.315 nan 8.300 nan 0.000 0.471 234 P HA 0.021 nan 4.420 nan 0.000 0.231 234 P C -0.784 176.547 177.300 0.052 0.000 1.168 234 P CA 1.027 64.159 63.100 0.053 0.000 0.779 234 P CB 0.343 32.066 31.700 0.037 0.000 0.844 235 D N -2.031 118.414 120.400 0.076 0.000 2.768 235 D HA 0.424 5.064 4.640 -0.000 0.000 0.327 235 D C -0.470 175.832 176.300 0.003 0.000 1.302 235 D CA -0.914 53.104 54.000 0.030 0.000 0.897 235 D CB -0.073 40.733 40.800 0.009 0.000 1.420 235 D HN -0.179 nan 8.370 nan 0.000 0.494 236 A N -0.377 122.425 122.820 -0.029 0.000 2.507 236 A HA 0.247 4.567 4.320 -0.000 0.000 0.270 236 A C 0.199 177.722 177.584 -0.102 0.000 1.318 236 A CA -0.476 51.518 52.037 -0.071 0.000 0.924 236 A CB -1.364 17.612 19.000 -0.039 0.000 1.061 236 A HN 0.451 nan 8.150 nan 0.000 0.516 237 N N 0.000 118.643 118.700 -0.095 0.000 1.763 237 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 237 N CA 0.000 52.996 53.050 -0.091 0.000 0.885 237 N CB 0.000 38.451 38.487 -0.060 0.000 1.341 237 N HN 0.000 nan 8.380 nan 0.000 0.667