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 3gwq_1_B DATA FIRST_RESID 8 DATA SEQUENCE GATIDPYSKG LGXVPGTSIQ LTDAARLEWN LLNEDVSLPA AVLYADRVEH DATA SEQUENCE NLKWXQAFVA EYGVKLAPHG KTTXAPQLFR RQLETGAWGI TLATAHQVRA DATA SEQUENCE AYHGGVSRVL XANQLVGRRN XXXVAELLSD PEFEFFCLVD SVEGVEQLGE DATA SEQUENCE FFKSVNKQLQ VLLELGVPGG RTGVRDAAQR NAVLEAITRY PDTLKLAGVE DATA SEQUENCE LYEGVLKEEH EVREFLQSAV AVTRELVEQE RFARAPAVLS GAGSAWYDVV DATA SEQUENCE AEEFVKASET GKVEVVLRPG cYLTXXXXXX XXXXXXXXXX XXXXXXXGEG DATA SEQUENCE LLPALQLWAY VQSIPEPDRA IIGLGKRDSA FDAGXPEPAR HYRPGNEAPR DATA SEQUENCE DIAASEGWEI FGLXDQHAYL RIPAGADLKV GDXIAFDISH PcLTFDKWRQ DATA SEQUENCE VLVVDPAYRV TEVIETFF VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 8 G HA2 0.000 nan 3.960 nan 0.000 0.244 8 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 8 G C 0.000 174.925 174.900 0.042 0.000 0.946 8 G CA 0.000 45.123 45.100 0.039 0.000 0.502 9 A N 1.068 123.928 122.820 0.066 0.000 2.466 9 A HA 0.173 4.493 4.320 -0.000 0.000 0.295 9 A C 0.924 178.525 177.584 0.029 0.000 1.465 9 A CA 1.805 53.878 52.037 0.060 0.000 0.744 9 A CB -1.914 17.119 19.000 0.053 0.000 1.098 9 A HN 2.374 nan 8.150 nan 0.000 0.402 10 T N -1.839 112.730 114.554 0.025 0.000 2.908 10 T HA 0.745 5.095 4.350 -0.000 0.000 0.290 10 T C 0.109 174.817 174.700 0.014 0.000 1.034 10 T CA -0.700 61.407 62.100 0.012 0.000 1.010 10 T CB 1.514 70.390 68.868 0.013 0.000 1.068 10 T HN 0.653 nan 8.240 nan 0.000 0.481 11 I N 2.244 122.822 120.570 0.012 0.000 2.710 11 I HA 0.105 4.275 4.170 -0.000 0.000 0.286 11 I C 0.472 176.613 176.117 0.040 0.000 1.181 11 I CA -0.095 61.226 61.300 0.034 0.000 1.430 11 I CB 0.294 38.322 38.000 0.046 0.000 1.367 11 I HN 0.715 nan 8.210 nan 0.000 0.577 12 D N 9.096 129.526 120.400 0.050 0.000 2.339 12 D HA 0.157 4.796 4.640 -0.000 0.000 0.241 12 D C -1.586 174.739 176.300 0.042 0.000 1.183 12 D CA -2.364 51.670 54.000 0.056 0.000 0.859 12 D CB 1.192 42.025 40.800 0.055 0.000 1.067 12 D HN 0.198 nan 8.370 nan 0.000 0.484 13 P HA -0.092 nan 4.420 nan 0.000 0.230 13 P C 0.316 177.376 177.300 -0.401 0.000 1.158 13 P CA 0.753 63.740 63.100 -0.188 0.000 0.769 13 P CB -0.011 31.520 31.700 -0.281 0.000 0.807 14 Y N -1.023 119.291 120.300 0.022 0.000 2.458 14 Y HA 0.245 4.795 4.550 -0.000 0.000 0.256 14 Y C 1.441 177.340 175.900 -0.001 0.000 1.159 14 Y CA -0.154 57.950 58.100 0.006 0.000 1.261 14 Y CB -0.026 38.433 38.460 -0.001 0.000 1.119 14 Y HN -0.171 nan 8.280 nan 0.000 0.524 15 S N 1.148 116.902 115.700 0.089 0.000 2.603 15 S HA 0.170 4.640 4.470 -0.000 0.000 0.268 15 S C 0.305 174.929 174.600 0.039 0.000 1.317 15 S CA -0.863 57.375 58.200 0.063 0.000 1.012 15 S CB 0.429 63.671 63.200 0.069 0.000 0.926 15 S HN 0.342 nan 8.310 nan 0.000 0.539 16 K N 0.195 120.612 120.400 0.030 0.000 2.120 16 K HA 0.532 4.852 4.320 -0.000 0.000 0.245 16 K C 0.787 177.474 176.600 0.146 0.000 1.024 16 K CA 0.021 56.332 56.287 0.041 0.000 0.906 16 K CB -0.102 32.376 32.500 -0.037 0.000 1.051 16 K HN 0.758 nan 8.250 nan 0.000 0.491 17 G N 0.387 109.288 108.800 0.167 0.000 2.198 17 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.260 17 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.260 17 G C -0.361 174.518 174.900 -0.034 0.000 1.025 17 G CA 0.490 45.695 45.100 0.175 0.000 0.769 17 G HN 0.400 nan 8.290 nan 0.000 0.507 18 L N -0.965 120.164 121.223 -0.156 0.000 2.301 18 L HA 0.828 5.168 4.340 -0.000 0.000 0.264 18 L C 1.180 177.565 176.870 -0.809 0.000 1.016 18 L CA -0.817 53.758 54.840 -0.443 0.000 0.821 18 L CB 1.740 43.677 42.059 -0.203 0.000 1.346 18 L HN 0.193 nan 8.230 nan 0.000 0.429 22 P HA 0.258 nan 4.420 nan 0.000 0.245 22 P C 0.544 177.845 177.300 0.002 0.000 1.212 22 P CA 0.734 63.845 63.100 0.018 0.000 0.774 22 P CB 0.798 32.511 31.700 0.023 0.000 0.999 23 G N -0.767 108.032 108.800 -0.002 0.000 2.690 23 G HA2 0.393 4.352 3.960 -0.000 0.000 0.291 23 G HA3 0.393 4.352 3.960 -0.000 0.000 0.291 23 G C 0.276 175.176 174.900 0.000 0.000 1.403 23 G CA -0.071 45.028 45.100 -0.002 0.000 0.864 23 G HN -0.056 nan 8.290 nan 0.000 0.480 24 T N -2.563 111.997 114.554 0.012 0.000 3.107 24 T HA 0.216 4.566 4.350 -0.000 0.000 0.249 24 T C 0.981 175.692 174.700 0.018 0.000 1.096 24 T CA 0.768 62.882 62.100 0.023 0.000 1.012 24 T CB 0.237 69.132 68.868 0.044 0.000 0.977 24 T HN 0.264 nan 8.240 nan 0.000 0.527 25 S N 1.150 116.854 115.700 0.008 0.000 2.668 25 S HA 0.457 4.927 4.470 -0.000 0.000 0.244 25 S C -0.083 174.512 174.600 -0.009 0.000 1.140 25 S CA -0.661 57.541 58.200 0.004 0.000 1.134 25 S CB -0.199 63.004 63.200 0.004 0.000 0.954 25 S HN 0.489 nan 8.310 nan 0.000 0.490 26 I N 2.587 123.147 120.570 -0.016 0.000 2.301 26 I HA 0.165 4.335 4.170 -0.000 0.000 0.292 26 I C 0.407 176.502 176.117 -0.038 0.000 1.046 26 I CA -0.616 60.661 61.300 -0.038 0.000 1.282 26 I CB 0.586 38.551 38.000 -0.059 0.000 1.409 26 I HN 0.085 nan 8.210 nan 0.000 0.484 27 Q N 5.496 125.273 119.800 -0.038 0.000 2.304 27 Q HA 0.028 4.368 4.340 -0.000 0.000 0.301 27 Q C 1.153 177.124 176.000 -0.047 0.000 1.063 27 Q CA 0.329 56.114 55.803 -0.031 0.000 0.947 27 Q CB 1.043 29.764 28.738 -0.029 0.000 1.201 27 Q HN 0.683 nan 8.270 nan 0.000 0.389 28 L N 1.784 122.990 121.223 -0.028 0.000 2.081 28 L HA -0.259 4.081 4.340 -0.000 0.000 0.212 28 L C 2.223 179.063 176.870 -0.050 0.000 1.080 28 L CA 1.993 56.813 54.840 -0.032 0.000 0.754 28 L CB -0.724 41.334 42.059 -0.002 0.000 0.893 28 L HN 0.735 nan 8.230 nan 0.000 0.433 29 T N -5.279 109.252 114.554 -0.039 0.000 3.118 29 T HA -0.056 4.294 4.350 -0.000 0.000 0.260 29 T C 1.034 175.695 174.700 -0.064 0.000 1.139 29 T CA 0.523 62.598 62.100 -0.042 0.000 1.085 29 T CB -0.178 68.675 68.868 -0.025 0.000 0.934 29 T HN 0.151 nan 8.240 nan 0.000 0.518 30 D N 0.854 121.204 120.400 -0.083 0.000 2.388 30 D HA 0.455 5.095 4.640 -0.000 0.000 0.221 30 D C 1.868 178.067 176.300 -0.169 0.000 1.133 30 D CA 0.170 54.107 54.000 -0.105 0.000 0.831 30 D CB 0.198 40.944 40.800 -0.090 0.000 0.962 30 D HN 0.502 nan 8.370 nan 0.000 0.502 31 A N 0.835 123.532 122.820 -0.205 0.000 2.019 31 A HA -0.088 4.232 4.320 -0.000 0.000 0.219 31 A C 2.274 179.619 177.584 -0.398 0.000 1.164 31 A CA 1.634 53.453 52.037 -0.362 0.000 0.644 31 A CB -0.267 18.521 19.000 -0.354 0.000 0.805 31 A HN 0.247 nan 8.150 nan 0.000 0.449 32 A N 0.932 123.607 122.820 -0.242 0.000 1.978 32 A HA -0.200 4.120 4.320 -0.000 0.000 0.220 32 A C 2.162 179.626 177.584 -0.200 0.000 1.170 32 A CA 1.669 53.590 52.037 -0.193 0.000 0.636 32 A CB -0.540 18.391 19.000 -0.115 0.000 0.810 32 A HN 0.751 nan 8.150 nan 0.000 0.448 33 R N -0.024 120.360 120.500 -0.193 0.000 2.285 33 R HA 0.087 4.427 4.340 -0.000 0.000 0.213 33 R C 1.173 177.360 176.300 -0.187 0.000 1.068 33 R CA 1.229 57.236 56.100 -0.154 0.000 1.004 33 R CB -0.569 29.659 30.300 -0.121 0.000 0.873 33 R HN 0.465 nan 8.270 nan 0.000 0.467 34 L N 0.932 121.956 121.223 -0.331 0.000 2.478 34 L HA 0.085 4.425 4.340 -0.000 0.000 0.223 34 L C 0.141 176.856 176.870 -0.258 0.000 1.140 34 L CA 0.499 55.104 54.840 -0.392 0.000 0.842 34 L CB -0.484 41.063 42.059 -0.854 0.000 0.953 34 L HN 0.292 nan 8.230 nan 0.000 0.452 35 E N -1.028 119.050 120.200 -0.203 0.000 2.389 35 E HA -0.215 4.135 4.350 -0.000 0.000 0.243 35 E C -0.919 175.752 176.600 0.118 0.000 1.154 35 E CA 0.052 56.429 56.400 -0.038 0.000 0.723 35 E CB -1.185 28.513 29.700 -0.003 0.000 1.261 35 E HN 0.338 nan 8.360 nan 0.000 0.390 36 W N 1.344 122.621 121.300 -0.038 0.000 2.266 36 W HA 0.354 5.014 4.660 -0.000 0.000 0.317 36 W C 0.974 177.458 176.519 -0.058 0.000 1.310 36 W CA -0.667 56.649 57.345 -0.048 0.000 1.207 36 W CB 0.194 29.620 29.460 -0.058 0.000 1.199 36 W HN 0.044 nan 8.180 nan 0.000 0.544 37 N N 3.304 122.097 118.700 0.155 0.000 2.346 37 N HA 0.108 4.848 4.740 -0.000 0.000 0.289 37 N C 0.371 175.848 175.510 -0.055 0.000 1.027 37 N CA -0.437 52.639 53.050 0.043 0.000 0.864 37 N CB 1.781 40.282 38.487 0.024 0.000 1.370 37 N HN 0.272 nan 8.380 nan 0.000 0.481 38 L N 4.588 125.727 121.223 -0.139 0.000 2.046 38 L HA -0.005 4.335 4.340 -0.000 0.000 0.208 38 L C 1.960 178.609 176.870 -0.369 0.000 1.077 38 L CA 1.721 56.373 54.840 -0.313 0.000 0.747 38 L CB -0.300 41.454 42.059 -0.508 0.000 0.896 38 L HN 0.677 nan 8.230 nan 0.000 0.432 39 L N -0.966 119.992 121.223 -0.441 0.000 2.275 39 L HA -0.134 4.206 4.340 -0.000 0.000 0.215 39 L C 1.788 178.590 176.870 -0.113 0.000 1.119 39 L CA 0.964 55.477 54.840 -0.545 0.000 0.790 39 L CB -0.660 40.910 42.059 -0.815 0.000 0.919 39 L HN 0.346 nan 8.230 nan 0.000 0.443 40 N N 0.689 119.351 118.700 -0.063 0.000 2.521 40 N HA -0.110 4.630 4.740 -0.000 0.000 0.188 40 N C 0.076 175.607 175.510 0.035 0.000 1.146 40 N CA 0.209 53.271 53.050 0.019 0.000 0.893 40 N CB 0.090 38.587 38.487 0.017 0.000 0.975 40 N HN 0.205 nan 8.380 nan 0.000 0.451 41 E N -0.978 119.234 120.200 0.021 0.000 2.637 41 E HA -0.235 4.115 4.350 -0.000 0.000 0.265 41 E C -0.417 176.178 176.600 -0.008 0.000 1.073 41 E CA 0.511 56.943 56.400 0.054 0.000 0.778 41 E CB -1.219 28.563 29.700 0.137 0.000 1.362 41 E HN 0.484 nan 8.360 nan 0.000 0.413 42 D N -0.131 120.234 120.400 -0.059 0.000 2.269 42 D HA -0.015 4.625 4.640 -0.000 0.000 0.208 42 D C 0.699 176.813 176.300 -0.310 0.000 0.963 42 D CA 0.788 54.714 54.000 -0.123 0.000 0.864 42 D CB 0.387 41.162 40.800 -0.041 0.000 0.936 42 D HN 0.058 nan 8.370 nan 0.000 0.505 43 V N 0.625 120.373 119.914 -0.275 0.000 2.459 43 V HA 0.174 4.294 4.120 -0.000 0.000 0.295 43 V C 0.302 176.289 176.094 -0.178 0.000 1.029 43 V CA -0.958 61.123 62.300 -0.365 0.000 0.874 43 V CB 1.899 33.514 31.823 -0.347 0.000 0.985 43 V HN -0.072 nan 8.190 nan 0.000 0.438 44 S N 5.460 121.057 115.700 -0.171 0.000 2.537 44 S HA 0.377 4.847 4.470 -0.000 0.000 0.286 44 S C -0.442 174.165 174.600 0.011 0.000 1.299 44 S CA -0.263 57.919 58.200 -0.030 0.000 1.067 44 S CB -0.214 62.960 63.200 -0.043 0.000 0.864 44 S HN 0.490 nan 8.310 nan 0.000 0.494 45 L N 6.517 127.801 121.223 0.102 0.000 2.331 45 L HA 0.547 4.887 4.340 -0.000 0.000 0.275 45 L C -1.773 175.190 176.870 0.155 0.000 1.022 45 L CA -2.302 52.584 54.840 0.076 0.000 0.812 45 L CB 1.318 43.276 42.059 -0.167 0.000 1.257 45 L HN 0.542 nan 8.230 nan 0.000 0.435 46 P HA 0.326 nan 4.420 nan 0.000 0.272 46 P C -1.200 176.296 177.300 0.327 0.000 1.223 46 P CA -0.293 62.947 63.100 0.233 0.000 0.784 46 P CB 1.423 33.299 31.700 0.293 0.000 0.923 47 A N 1.000 123.906 122.820 0.143 0.000 2.539 47 A HA 0.712 5.031 4.320 -0.000 0.000 0.296 47 A C -1.040 176.191 177.584 -0.589 0.000 1.073 47 A CA -0.696 51.248 52.037 -0.155 0.000 0.700 47 A CB 1.621 20.544 19.000 -0.129 0.000 1.296 47 A HN 0.567 nan 8.150 nan 0.000 0.405 48 A N 0.785 122.928 122.820 -1.129 0.000 2.276 48 A HA 0.648 4.968 4.320 -0.000 0.000 0.316 48 A C -0.816 176.452 177.584 -0.527 0.000 1.229 48 A CA -0.398 51.008 52.037 -1.053 0.000 0.851 48 A CB 0.475 18.415 19.000 -1.766 0.000 1.165 48 A HN 1.316 nan 8.150 nan 0.000 0.513 49 V N 4.692 124.408 119.914 -0.330 0.000 2.409 49 V HA 0.290 4.410 4.120 -0.000 0.000 0.290 49 V C -0.305 175.535 176.094 -0.423 0.000 1.017 49 V CA -0.223 61.884 62.300 -0.321 0.000 0.841 49 V CB 1.248 32.923 31.823 -0.246 0.000 1.003 49 V HN 0.815 nan 8.190 nan 0.000 0.426 50 L N 4.986 125.997 121.223 -0.352 0.000 2.292 50 L HA 0.494 4.833 4.340 -0.000 0.000 0.284 50 L C -0.844 175.791 176.870 -0.392 0.000 1.065 50 L CA -0.542 54.138 54.840 -0.266 0.000 0.806 50 L CB 0.960 42.988 42.059 -0.052 0.000 1.175 50 L HN 0.535 nan 8.230 nan 0.000 0.431 51 Y N 1.840 122.160 120.300 0.034 0.000 2.404 51 Y HA 0.208 4.758 4.550 -0.000 0.000 0.344 51 Y C 1.124 177.026 175.900 0.003 0.000 0.995 51 Y CA -0.283 57.811 58.100 -0.010 0.000 1.201 51 Y CB 1.244 39.691 38.460 -0.022 0.000 1.151 51 Y HN 0.723 nan 8.280 nan 0.000 0.517 52 A N 2.510 125.383 122.820 0.088 0.000 1.892 52 A HA -0.288 4.032 4.320 -0.000 0.000 0.218 52 A C 2.050 179.688 177.584 0.090 0.000 1.188 52 A CA 2.236 54.313 52.037 0.067 0.000 0.631 52 A CB -0.571 18.448 19.000 0.032 0.000 0.822 52 A HN 0.879 nan 8.150 nan 0.000 0.447 53 D N -0.377 120.074 120.400 0.086 0.000 2.144 53 D HA -0.204 4.436 4.640 -0.000 0.000 0.199 53 D C 1.902 178.268 176.300 0.109 0.000 0.984 53 D CA 1.552 55.597 54.000 0.076 0.000 0.834 53 D CB -0.617 40.202 40.800 0.032 0.000 0.955 53 D HN 0.555 nan 8.370 nan 0.000 0.465 54 R N 0.301 120.871 120.500 0.117 0.000 2.090 54 R HA 0.042 4.381 4.340 -0.000 0.000 0.228 54 R C 2.643 179.047 176.300 0.174 0.000 1.110 54 R CA 0.759 56.931 56.100 0.121 0.000 0.973 54 R CB -0.308 30.058 30.300 0.110 0.000 0.869 54 R HN 0.089 nan 8.270 nan 0.000 0.440 55 V N 1.282 121.294 119.914 0.162 0.000 2.332 55 V HA -0.253 3.867 4.120 -0.000 0.000 0.248 55 V C 2.229 178.422 176.094 0.164 0.000 1.055 55 V CA 2.089 64.485 62.300 0.160 0.000 1.038 55 V CB -0.400 31.502 31.823 0.133 0.000 0.651 55 V HN 0.278 nan 8.190 nan 0.000 0.450 56 E N -0.221 120.067 120.200 0.148 0.000 2.107 56 E HA -0.219 4.131 4.350 -0.000 0.000 0.191 56 E C 2.045 178.735 176.600 0.150 0.000 0.982 56 E CA 1.597 58.077 56.400 0.133 0.000 0.809 56 E CB -0.410 29.354 29.700 0.106 0.000 0.756 56 E HN 0.792 nan 8.360 nan 0.000 0.459 57 H N 0.111 119.234 119.070 0.088 0.000 2.289 57 H HA -0.121 4.435 4.556 -0.000 0.000 0.296 57 H C 1.594 177.004 175.328 0.136 0.000 1.091 57 H CA 2.471 58.577 56.048 0.096 0.000 1.274 57 H CB -0.096 29.689 29.762 0.039 0.000 1.364 57 H HN 0.137 nan 8.280 nan 0.000 0.490 58 N N 0.181 119.002 118.700 0.202 0.000 2.188 58 N HA -0.106 4.634 4.740 -0.000 0.000 0.184 58 N C 2.155 177.747 175.510 0.137 0.000 1.018 58 N CA 1.172 54.318 53.050 0.160 0.000 0.858 58 N CB -0.341 38.255 38.487 0.182 0.000 0.989 58 N HN 0.382 nan 8.380 nan 0.000 0.426 59 L N 0.741 122.061 121.223 0.162 0.000 1.994 59 L HA -0.152 4.188 4.340 -0.000 0.000 0.208 59 L C 2.104 179.040 176.870 0.110 0.000 1.071 59 L CA 1.167 56.109 54.840 0.170 0.000 0.745 59 L CB -0.277 41.882 42.059 0.166 0.000 0.892 59 L HN 0.014 nan 8.230 nan 0.000 0.431 60 K N -0.643 119.803 120.400 0.077 0.000 2.097 60 K HA -0.139 4.181 4.320 -0.000 0.000 0.205 60 K C 0.859 177.476 176.600 0.027 0.000 1.050 60 K CA 0.449 56.761 56.287 0.042 0.000 0.938 60 K CB -0.506 32.012 32.500 0.031 0.000 0.718 60 K HN 0.291 nan 8.250 nan 0.000 0.442 64 A N 0.749 123.517 122.820 -0.088 0.000 2.067 64 A HA -0.009 4.311 4.320 -0.000 0.000 0.219 64 A C 0.590 178.079 177.584 -0.158 0.000 1.158 64 A CA 0.364 52.304 52.037 -0.161 0.000 0.661 64 A CB -0.560 18.269 19.000 -0.285 0.000 0.801 64 A HN 0.409 nan 8.150 nan 0.000 0.452 65 F N 1.383 121.164 119.950 -0.282 0.000 2.546 65 F HA 0.254 4.781 4.527 -0.000 0.000 0.388 65 F C -0.000 175.721 175.800 -0.131 0.000 1.051 65 F CA -0.133 57.727 58.000 -0.233 0.000 1.130 65 F CB 0.233 39.110 39.000 -0.206 0.000 1.044 65 F HN -0.108 nan 8.300 nan 0.000 0.553 66 V N 8.003 127.524 119.914 -0.656 0.000 2.348 66 V HA 0.469 4.588 4.120 -0.000 0.000 0.270 66 V C 0.657 176.197 176.094 -0.923 0.000 1.037 66 V CA -0.584 61.352 62.300 -0.607 0.000 0.872 66 V CB 0.227 31.846 31.823 -0.341 0.000 1.002 66 V HN 0.981 nan 8.190 nan 0.000 0.464 67 A N 3.843 126.177 122.820 -0.810 0.000 2.407 67 A HA 0.321 4.641 4.320 -0.000 0.000 0.248 67 A C 0.987 178.377 177.584 -0.323 0.000 1.082 67 A CA -0.246 51.472 52.037 -0.533 0.000 0.785 67 A CB 0.180 19.188 19.000 0.014 0.000 1.020 67 A HN 0.919 nan 8.150 nan 0.000 0.489 68 E N -0.113 119.872 120.200 -0.359 0.000 2.427 68 E HA 0.009 4.359 4.350 -0.000 0.000 0.196 68 E C -0.917 175.308 176.600 -0.625 0.000 1.028 68 E CA 0.775 56.828 56.400 -0.577 0.000 0.864 68 E CB -0.018 29.174 29.700 -0.845 0.000 0.813 68 E HN 0.723 nan 8.360 nan 0.000 0.514 69 Y N -0.835 119.456 120.300 -0.015 0.000 2.524 69 Y HA 0.508 5.058 4.550 -0.000 0.000 0.344 69 Y C 0.874 176.761 175.900 -0.022 0.000 1.012 69 Y CA -1.700 56.383 58.100 -0.029 0.000 1.068 69 Y CB 1.053 39.477 38.460 -0.060 0.000 1.249 69 Y HN -0.208 nan 8.280 nan 0.000 0.468 70 G N 1.466 110.343 108.800 0.128 0.000 2.661 70 G HA2 0.435 4.395 3.960 -0.000 0.000 0.292 70 G HA3 0.435 4.395 3.960 -0.000 0.000 0.292 70 G C -0.665 174.266 174.900 0.051 0.000 0.781 70 G CA -0.054 45.081 45.100 0.059 0.000 1.860 70 G HN 0.690 nan 8.290 nan 0.000 0.512 71 V N -0.879 119.079 119.914 0.073 0.000 2.971 71 V HA 0.795 4.915 4.120 -0.000 0.000 0.309 71 V C -0.732 175.390 176.094 0.047 0.000 1.130 71 V CA -1.547 60.781 62.300 0.047 0.000 0.964 71 V CB 2.197 34.093 31.823 0.121 0.000 1.029 71 V HN 0.423 nan 8.190 nan 0.000 0.427 72 K N 3.063 123.431 120.400 -0.053 0.000 2.395 72 K HA 0.777 5.097 4.320 -0.000 0.000 0.247 72 K C -1.548 175.036 176.600 -0.026 0.000 0.973 72 K CA -0.859 55.409 56.287 -0.032 0.000 0.828 72 K CB 2.814 35.222 32.500 -0.153 0.000 1.272 72 K HN 0.679 nan 8.250 nan 0.000 0.439 73 L N 1.215 122.501 121.223 0.104 0.000 2.322 73 L HA 0.545 4.885 4.340 -0.000 0.000 0.281 73 L C -0.337 176.633 176.870 0.167 0.000 1.014 73 L CA -0.870 54.045 54.840 0.125 0.000 0.815 73 L CB 1.813 43.987 42.059 0.192 0.000 1.247 73 L HN 0.712 nan 8.230 nan 0.000 0.421 74 A N 4.654 127.529 122.820 0.091 0.000 2.802 74 A HA 0.592 4.912 4.320 -0.000 0.000 0.344 74 A C -2.498 175.054 177.584 -0.054 0.000 1.215 74 A CA -1.454 50.638 52.037 0.093 0.000 0.821 74 A CB -0.118 18.971 19.000 0.148 0.000 1.099 74 A HN 0.328 nan 8.150 nan 0.000 0.479 75 P HA -0.024 nan 4.420 nan 0.000 0.266 75 P C -0.427 176.779 177.300 -0.156 0.000 1.195 75 P CA 0.381 63.441 63.100 -0.067 0.000 0.768 75 P CB 0.254 31.848 31.700 -0.177 0.000 0.838 76 H N 1.532 120.569 119.070 -0.055 0.000 3.091 76 H HA 0.020 4.576 4.556 -0.000 0.000 0.289 76 H C 1.773 177.049 175.328 -0.086 0.000 0.995 76 H CA 0.982 56.995 56.048 -0.058 0.000 1.461 76 H CB 0.167 29.924 29.762 -0.007 0.000 1.510 76 H HN 0.599 nan 8.280 nan 0.000 0.546 77 G N 3.358 112.124 108.800 -0.056 0.000 2.880 77 G HA2 -0.146 3.813 3.960 -0.000 0.000 0.209 77 G HA3 -0.146 3.813 3.960 -0.000 0.000 0.209 77 G C 1.537 176.588 174.900 0.252 0.000 1.157 77 G CA -0.111 44.977 45.100 -0.020 0.000 0.779 77 G HN 0.569 nan 8.290 nan 0.000 0.539 78 K N 0.824 121.351 120.400 0.212 0.000 2.442 78 K HA -0.069 4.251 4.320 -0.000 0.000 0.198 78 K C 2.011 178.818 176.600 0.346 0.000 1.042 78 K CA 1.666 58.113 56.287 0.266 0.000 0.958 78 K CB -0.447 32.185 32.500 0.220 0.000 0.766 78 K HN 0.260 nan 8.250 nan 0.000 0.474 79 T N -1.658 113.048 114.554 0.254 0.000 3.035 79 T HA -0.046 4.304 4.350 -0.000 0.000 0.259 79 T C 1.283 176.137 174.700 0.257 0.000 1.078 79 T CA 0.641 62.882 62.100 0.235 0.000 1.132 79 T CB -0.287 68.645 68.868 0.107 0.000 0.900 79 T HN 0.419 nan 8.240 nan 0.000 0.480 83 P HA -0.185 nan 4.420 nan 0.000 0.221 83 P C 1.491 178.679 177.300 -0.187 0.000 1.145 83 P CA 1.339 64.147 63.100 -0.487 0.000 0.795 83 P CB 0.280 31.867 31.700 -0.188 0.000 0.775 84 Q N -0.877 118.852 119.800 -0.120 0.000 2.135 84 Q HA -0.132 4.208 4.340 -0.000 0.000 0.204 84 Q C 2.044 178.031 176.000 -0.021 0.000 0.981 84 Q CA 1.214 56.997 55.803 -0.034 0.000 0.856 84 Q CB -0.594 28.145 28.738 0.001 0.000 0.902 84 Q HN 0.303 nan 8.270 nan 0.000 0.425 85 L N -0.851 120.329 121.223 -0.072 0.000 2.095 85 L HA -0.100 4.240 4.340 -0.000 0.000 0.204 85 L C 2.031 178.960 176.870 0.098 0.000 1.080 85 L CA 0.475 55.314 54.840 -0.001 0.000 0.759 85 L CB -0.394 41.649 42.059 -0.027 0.000 0.914 85 L HN 0.203 nan 8.230 nan 0.000 0.439 86 F N 0.855 120.791 119.950 -0.024 0.000 2.120 86 F HA -0.220 4.306 4.527 -0.000 0.000 0.300 86 F C 2.745 178.532 175.800 -0.020 0.000 1.095 86 F CA 1.139 59.114 58.000 -0.042 0.000 1.249 86 F CB -1.120 37.856 39.000 -0.040 0.000 0.995 86 F HN 0.015 nan 8.300 nan 0.000 0.480 87 R N -0.139 120.467 120.500 0.175 0.000 2.081 87 R HA -0.127 4.213 4.340 -0.000 0.000 0.235 87 R C 2.344 178.695 176.300 0.085 0.000 1.131 87 R CA 1.007 57.166 56.100 0.098 0.000 0.960 87 R CB -0.277 30.057 30.300 0.056 0.000 0.856 87 R HN 0.164 nan 8.270 nan 0.000 0.436 88 R N 1.074 121.627 120.500 0.088 0.000 2.081 88 R HA -0.131 4.209 4.340 -0.000 0.000 0.235 88 R C 2.183 178.552 176.300 0.116 0.000 1.131 88 R CA 1.433 57.589 56.100 0.093 0.000 0.960 88 R CB -0.484 29.872 30.300 0.094 0.000 0.856 88 R HN 0.475 nan 8.270 nan 0.000 0.436 89 Q N 0.382 120.255 119.800 0.122 0.000 2.084 89 Q HA -0.082 4.258 4.340 -0.000 0.000 0.202 89 Q C 2.333 178.408 176.000 0.124 0.000 0.978 89 Q CA 1.230 57.113 55.803 0.133 0.000 0.844 89 Q CB -0.171 28.581 28.738 0.024 0.000 0.898 89 Q HN 0.286 nan 8.270 nan 0.000 0.426 90 L N 0.811 122.088 121.223 0.091 0.000 2.093 90 L HA -0.186 4.154 4.340 -0.000 0.000 0.208 90 L C 2.371 179.282 176.870 0.068 0.000 1.085 90 L CA 1.280 56.161 54.840 0.068 0.000 0.755 90 L CB -0.491 41.593 42.059 0.040 0.000 0.904 90 L HN 0.351 nan 8.230 nan 0.000 0.435 91 E N -0.465 119.776 120.200 0.069 0.000 2.347 91 E HA -0.134 4.216 4.350 -0.000 0.000 0.196 91 E C 1.219 177.861 176.600 0.070 0.000 1.008 91 E CA 1.320 57.755 56.400 0.058 0.000 0.852 91 E CB -0.292 29.437 29.700 0.048 0.000 0.783 91 E HN 0.470 nan 8.360 nan 0.000 0.505 92 T N -2.964 111.647 114.554 0.096 0.000 3.223 92 T HA 0.508 4.858 4.350 -0.000 0.000 0.259 92 T C 1.165 175.935 174.700 0.117 0.000 1.015 92 T CA -0.012 62.149 62.100 0.103 0.000 0.908 92 T CB 0.750 69.692 68.868 0.123 0.000 1.054 92 T HN 0.352 nan 8.240 nan 0.000 0.567 93 G N 0.743 109.610 108.800 0.111 0.000 2.211 93 G HA2 0.050 4.010 3.960 -0.000 0.000 0.201 93 G HA3 0.050 4.010 3.960 -0.000 0.000 0.201 93 G C 0.371 175.364 174.900 0.155 0.000 0.997 93 G CA -0.307 44.864 45.100 0.119 0.000 0.652 93 G HN 1.082 nan 8.290 nan 0.000 0.500 94 A N -0.454 122.467 122.820 0.168 0.000 2.520 94 A HA 0.428 4.748 4.320 -0.000 0.000 0.235 94 A C 0.824 178.524 177.584 0.194 0.000 1.065 94 A CA 1.244 53.395 52.037 0.190 0.000 0.764 94 A CB 0.164 19.253 19.000 0.148 0.000 1.002 94 A HN 1.245 nan 8.150 nan 0.000 0.502 95 W N 2.313 123.626 121.300 0.021 0.000 2.476 95 W HA 0.363 5.023 4.660 -0.000 0.000 0.281 95 W C 0.743 177.253 176.519 -0.016 0.000 1.230 95 W CA 1.440 58.785 57.345 0.001 0.000 1.287 95 W CB 0.139 29.591 29.460 -0.013 0.000 1.108 95 W HN 0.974 nan 8.180 nan 0.000 0.567 96 G N -0.354 108.519 108.800 0.122 0.000 2.489 96 G HA2 0.363 4.323 3.960 -0.000 0.000 0.305 96 G HA3 0.363 4.323 3.960 -0.000 0.000 0.305 96 G C -1.978 172.910 174.900 -0.019 0.000 1.311 96 G CA -0.866 44.187 45.100 -0.079 0.000 0.813 96 G HN -0.133 nan 8.290 nan 0.000 0.480 97 I N 1.000 121.501 120.570 -0.116 0.000 2.404 97 I HA 0.434 4.603 4.170 -0.000 0.000 0.293 97 I C 0.090 176.102 176.117 -0.176 0.000 0.992 97 I CA -0.500 60.656 61.300 -0.240 0.000 1.149 97 I CB 1.337 39.022 38.000 -0.525 0.000 1.315 97 I HN 0.318 nan 8.210 nan 0.000 0.446 98 T N 7.327 121.758 114.554 -0.204 0.000 2.771 98 T HA 0.686 5.036 4.350 -0.000 0.000 0.291 98 T C 0.168 174.796 174.700 -0.119 0.000 0.954 98 T CA -0.213 61.778 62.100 -0.183 0.000 1.045 98 T CB 0.881 69.530 68.868 -0.365 0.000 0.917 98 T HN 0.289 nan 8.240 nan 0.000 0.484 99 L N 1.242 122.446 121.223 -0.032 0.000 2.303 99 L HA 0.744 5.084 4.340 -0.000 0.000 0.256 99 L C 0.891 177.817 176.870 0.094 0.000 1.034 99 L CA -1.127 53.740 54.840 0.045 0.000 0.832 99 L CB 1.699 43.788 42.059 0.049 0.000 1.403 99 L HN 0.682 nan 8.230 nan 0.000 0.419 100 A N -0.537 122.359 122.820 0.127 0.000 2.127 100 A HA 0.302 4.622 4.320 -0.000 0.000 0.204 100 A C 0.571 178.240 177.584 0.142 0.000 1.243 100 A CA 0.801 52.916 52.037 0.128 0.000 0.887 100 A CB 0.302 19.380 19.000 0.129 0.000 0.933 100 A HN 0.704 nan 8.150 nan 0.000 0.479 101 T N -5.050 109.601 114.554 0.162 0.000 2.906 101 T HA 0.648 4.997 4.350 -0.000 0.000 0.295 101 T C 0.975 175.781 174.700 0.176 0.000 1.075 101 T CA 0.082 62.286 62.100 0.173 0.000 1.005 101 T CB 1.580 70.569 68.868 0.203 0.000 1.136 101 T HN 0.593 nan 8.240 nan 0.000 0.498 102 A N 0.888 123.805 122.820 0.162 0.000 1.908 102 A HA -0.152 4.168 4.320 -0.000 0.000 0.218 102 A C 2.174 179.826 177.584 0.113 0.000 1.181 102 A CA 2.107 54.219 52.037 0.126 0.000 0.627 102 A CB -1.600 17.448 19.000 0.079 0.000 0.818 102 A HN 1.101 nan 8.150 nan 0.000 0.445 103 H N -0.159 118.959 119.070 0.079 0.000 2.319 103 H HA -0.201 4.355 4.556 -0.000 0.000 0.297 103 H C 2.001 177.385 175.328 0.095 0.000 1.097 103 H CA 2.218 58.317 56.048 0.085 0.000 1.285 103 H CB -0.195 29.625 29.762 0.097 0.000 1.368 103 H HN 0.644 nan 8.280 nan 0.000 0.495 104 Q N 0.129 119.811 119.800 -0.198 0.000 2.084 104 Q HA -0.095 4.245 4.340 -0.000 0.000 0.202 104 Q C 2.797 178.759 176.000 -0.064 0.000 0.978 104 Q CA 1.643 57.343 55.803 -0.171 0.000 0.844 104 Q CB 0.106 28.872 28.738 0.046 0.000 0.898 104 Q HN 0.299 nan 8.270 nan 0.000 0.426 105 V N 1.076 121.015 119.914 0.042 0.000 2.287 105 V HA -0.313 3.807 4.120 -0.000 0.000 0.248 105 V C 2.356 178.466 176.094 0.026 0.000 1.053 105 V CA 2.208 64.583 62.300 0.124 0.000 1.027 105 V CB -0.694 31.275 31.823 0.243 0.000 0.646 105 V HN 0.354 nan 8.190 nan 0.000 0.447 106 R N 0.429 120.902 120.500 -0.045 0.000 2.083 106 R HA -0.192 4.148 4.340 -0.000 0.000 0.237 106 R C 2.308 178.583 176.300 -0.042 0.000 1.137 106 R CA 1.831 57.898 56.100 -0.055 0.000 0.951 106 R CB -0.517 29.788 30.300 0.007 0.000 0.851 106 R HN 0.468 nan 8.270 nan 0.000 0.434 107 A N 0.852 123.557 122.820 -0.192 0.000 1.865 107 A HA -0.143 4.176 4.320 -0.000 0.000 0.217 107 A C 2.423 179.815 177.584 -0.321 0.000 1.191 107 A CA 1.913 53.680 52.037 -0.450 0.000 0.623 107 A CB -0.971 17.628 19.000 -0.667 0.000 0.826 107 A HN 0.581 nan 8.150 nan 0.000 0.444 108 A N -1.678 121.083 122.820 -0.098 0.000 1.902 108 A HA -0.105 4.215 4.320 -0.000 0.000 0.217 108 A C 2.161 179.738 177.584 -0.011 0.000 1.181 108 A CA 1.694 53.773 52.037 0.071 0.000 0.623 108 A CB -0.840 18.255 19.000 0.158 0.000 0.818 108 A HN 0.781 nan 8.150 nan 0.000 0.443 109 Y N 0.114 120.288 120.300 -0.210 0.000 2.145 109 Y HA -0.258 4.291 4.550 -0.000 0.000 0.286 109 Y C 2.461 178.107 175.900 -0.423 0.000 1.145 109 Y CA 2.307 60.149 58.100 -0.430 0.000 1.148 109 Y CB -0.319 37.647 38.460 -0.825 0.000 0.981 109 Y HN 0.478 nan 8.280 nan 0.000 0.507 110 H N -0.984 118.045 119.070 -0.069 0.000 2.546 110 H HA 0.067 4.623 4.556 -0.000 0.000 0.277 110 H C 1.875 177.096 175.328 -0.179 0.000 1.004 110 H CA 0.956 56.928 56.048 -0.127 0.000 1.231 110 H CB -0.427 29.315 29.762 -0.034 0.000 1.382 110 H HN 0.493 nan 8.280 nan 0.000 0.580 111 G N -0.406 108.325 108.800 -0.114 0.000 3.314 111 G HA2 0.258 4.218 3.960 -0.000 0.000 0.238 111 G HA3 0.258 4.218 3.960 -0.000 0.000 0.238 111 G C 1.140 175.992 174.900 -0.080 0.000 1.184 111 G CA 0.276 45.325 45.100 -0.086 0.000 0.806 111 G HN 0.527 nan 8.290 nan 0.000 0.536 112 G N -1.045 107.652 108.800 -0.172 0.000 2.143 112 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.249 112 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.249 112 G C 0.231 175.070 174.900 -0.102 0.000 0.981 112 G CA 0.086 45.088 45.100 -0.164 0.000 0.665 112 G HN 0.680 nan 8.290 nan 0.000 0.528 113 V N 1.780 121.658 119.914 -0.060 0.000 2.455 113 V HA 0.466 4.585 4.120 -0.000 0.000 0.273 113 V C 1.533 177.679 176.094 0.087 0.000 1.045 113 V CA 0.806 63.124 62.300 0.030 0.000 0.976 113 V CB 1.437 33.310 31.823 0.084 0.000 0.993 113 V HN 0.848 nan 8.190 nan 0.000 0.475 114 S N 4.432 120.174 115.700 0.069 0.000 2.556 114 S HA 0.227 4.697 4.470 -0.000 0.000 0.216 114 S C 0.625 175.244 174.600 0.031 0.000 0.970 114 S CA -0.295 58.001 58.200 0.160 0.000 0.912 114 S CB 0.096 63.318 63.200 0.036 0.000 0.790 114 S HN 0.703 nan 8.310 nan 0.000 0.504 115 R N 0.617 121.065 120.500 -0.085 0.000 2.510 115 R HA 0.602 4.942 4.340 -0.000 0.000 0.294 115 R C -2.250 173.946 176.300 -0.174 0.000 1.056 115 R CA -0.356 55.569 56.100 -0.292 0.000 0.918 115 R CB 1.900 31.909 30.300 -0.486 0.000 1.187 115 R HN 0.167 nan 8.270 nan 0.000 0.437 116 V N 6.129 125.952 119.914 -0.151 0.000 2.531 116 V HA 0.421 4.541 4.120 -0.000 0.000 0.301 116 V C 0.000 176.082 176.094 -0.020 0.000 1.034 116 V CA -0.753 61.546 62.300 -0.001 0.000 0.865 116 V CB 1.751 33.708 31.823 0.224 0.000 0.995 116 V HN 0.727 nan 8.190 nan 0.000 0.424 120 N N -0.537 118.194 118.700 0.051 0.000 3.127 120 N HA 0.421 5.161 4.740 -0.000 0.000 0.239 120 N C -1.164 174.393 175.510 0.079 0.000 1.407 120 N CA -0.279 52.813 53.050 0.070 0.000 0.891 120 N CB 1.127 39.666 38.487 0.087 0.000 1.447 120 N HN 0.237 nan 8.380 nan 0.000 0.507 121 Q N 0.510 120.357 119.800 0.078 0.000 2.352 121 Q HA 0.366 4.706 4.340 -0.000 0.000 0.260 121 Q C -0.648 175.411 176.000 0.098 0.000 0.976 121 Q CA -0.130 55.721 55.803 0.081 0.000 0.881 121 Q CB 0.637 29.416 28.738 0.067 0.000 1.235 121 Q HN 0.459 nan 8.270 nan 0.000 0.419 122 L N 3.797 125.089 121.223 0.115 0.000 2.255 122 L HA 0.528 4.868 4.340 -0.000 0.000 0.289 122 L C -1.450 175.470 176.870 0.083 0.000 1.046 122 L CA -0.262 54.655 54.840 0.127 0.000 0.816 122 L CB 0.925 43.101 42.059 0.195 0.000 1.197 122 L HN 0.431 nan 8.230 nan 0.000 0.427 123 V N 4.193 124.136 119.914 0.048 0.000 2.760 123 V HA 0.958 5.078 4.120 -0.000 0.000 0.309 123 V C 0.166 176.243 176.094 -0.028 0.000 1.077 123 V CA -0.213 62.095 62.300 0.014 0.000 0.910 123 V CB 1.356 33.194 31.823 0.025 0.000 1.008 123 V HN 1.053 nan 8.190 nan 0.000 0.424 124 G N 3.112 111.870 108.800 -0.069 0.000 2.784 124 G HA2 -0.101 3.859 3.960 -0.000 0.000 0.686 124 G HA3 -0.101 3.859 3.960 -0.000 0.000 0.686 124 G C -0.023 174.757 174.900 -0.201 0.000 1.156 124 G CA 0.159 45.202 45.100 -0.095 0.000 0.757 124 G HN 0.909 nan 8.290 nan 0.000 0.642 125 R N 0.903 121.279 120.500 -0.206 0.000 2.083 125 R HA -0.114 4.226 4.340 -0.000 0.000 0.237 125 R C 2.660 178.753 176.300 -0.345 0.000 1.137 125 R CA 2.202 58.100 56.100 -0.336 0.000 0.951 125 R CB -0.177 30.041 30.300 -0.137 0.000 0.851 125 R HN 0.513 nan 8.270 nan 0.000 0.434 126 R N 1.160 121.558 120.500 -0.170 0.000 2.092 126 R HA 0.002 4.342 4.340 -0.000 0.000 0.231 126 R C 0.301 176.529 176.300 -0.120 0.000 1.119 126 R CA 1.116 57.148 56.100 -0.114 0.000 0.970 126 R CB -0.569 29.702 30.300 -0.049 0.000 0.864 126 R HN 0.238 nan 8.270 nan 0.000 0.440 132 A N 0.428 123.314 122.820 0.111 0.000 1.948 132 A HA -0.276 4.044 4.320 -0.000 0.000 0.220 132 A C 1.748 179.332 177.584 0.001 0.000 1.177 132 A CA 2.527 54.653 52.037 0.147 0.000 0.636 132 A CB -0.450 18.598 19.000 0.081 0.000 0.815 132 A HN 0.718 nan 8.150 nan 0.000 0.449 133 E N -0.424 119.741 120.200 -0.059 0.000 2.209 133 E HA -0.128 4.222 4.350 -0.000 0.000 0.196 133 E C 1.547 178.009 176.600 -0.231 0.000 0.993 133 E CA 1.054 57.389 56.400 -0.109 0.000 0.819 133 E CB -0.222 29.423 29.700 -0.092 0.000 0.745 133 E HN 0.701 nan 8.360 nan 0.000 0.477 134 L N 0.014 121.031 121.223 -0.342 0.000 2.529 134 L HA 0.059 4.399 4.340 -0.000 0.000 0.223 134 L C 1.702 178.407 176.870 -0.276 0.000 1.113 134 L CA 0.125 54.578 54.840 -0.645 0.000 0.861 134 L CB 0.077 41.577 42.059 -0.932 0.000 1.012 134 L HN 0.116 nan 8.230 nan 0.000 0.461 135 L N -0.243 120.930 121.223 -0.084 0.000 2.591 135 L HA 0.039 4.379 4.340 -0.000 0.000 0.228 135 L C 2.099 178.990 176.870 0.034 0.000 1.133 135 L CA 0.305 55.170 54.840 0.042 0.000 0.880 135 L CB -0.123 41.980 42.059 0.073 0.000 1.033 135 L HN 0.274 nan 8.230 nan 0.000 0.450 136 S N -2.734 112.962 115.700 -0.006 0.000 2.575 136 S HA -0.013 4.457 4.470 -0.000 0.000 0.215 136 S C 0.555 175.173 174.600 0.029 0.000 0.966 136 S CA -0.414 57.792 58.200 0.010 0.000 0.911 136 S CB -0.236 62.961 63.200 -0.005 0.000 0.780 136 S HN 0.243 nan 8.310 nan 0.000 0.514 137 D N 2.841 123.272 120.400 0.051 0.000 2.380 137 D HA 0.339 4.979 4.640 -0.000 0.000 0.230 137 D C -1.853 174.526 176.300 0.133 0.000 1.154 137 D CA -2.328 51.739 54.000 0.113 0.000 0.859 137 D CB 1.667 42.587 40.800 0.201 0.000 1.045 137 D HN 0.051 nan 8.370 nan 0.000 0.495 138 P HA -0.061 nan 4.420 nan 0.000 0.225 138 P C 0.595 177.935 177.300 0.066 0.000 1.148 138 P CA 0.671 63.808 63.100 0.062 0.000 0.779 138 P CB 0.432 32.154 31.700 0.038 0.000 0.780 139 E N -1.536 118.722 120.200 0.096 0.000 2.489 139 E HA 0.052 4.402 4.350 -0.000 0.000 0.193 139 E C 0.147 176.834 176.600 0.146 0.000 1.057 139 E CA -0.063 56.387 56.400 0.083 0.000 0.866 139 E CB -0.328 29.410 29.700 0.064 0.000 0.916 139 E HN 0.286 nan 8.360 nan 0.000 0.500 140 F N 1.758 121.725 119.950 0.028 0.000 2.408 140 F HA 0.318 4.845 4.527 -0.000 0.000 0.344 140 F C -0.021 175.771 175.800 -0.014 0.000 1.112 140 F CA -1.343 56.688 58.000 0.051 0.000 1.096 140 F CB 1.055 40.167 39.000 0.187 0.000 1.129 140 F HN -0.287 nan 8.300 nan 0.000 0.486 141 E N 6.095 125.877 120.200 -0.696 0.000 2.171 141 E HA 0.404 4.754 4.350 -0.000 0.000 0.271 141 E C -2.022 173.960 176.600 -1.030 0.000 0.916 141 E CA -0.653 55.309 56.400 -0.731 0.000 0.774 141 E CB 1.272 30.666 29.700 -0.510 0.000 1.128 141 E HN 0.566 nan 8.360 nan 0.000 0.403 142 F N 4.675 124.032 119.950 -0.987 0.000 2.565 142 F HA 0.622 5.149 4.527 -0.000 0.000 0.313 142 F C -1.915 173.453 175.800 -0.719 0.000 1.091 142 F CA -0.689 56.893 58.000 -0.696 0.000 0.915 142 F CB 1.077 39.836 39.000 -0.402 0.000 1.208 142 F HN 0.406 nan 8.300 nan 0.000 0.453 143 F N 4.013 123.300 119.950 -1.105 0.000 2.588 143 F HA 0.638 5.165 4.527 -0.000 0.000 0.310 143 F C -0.246 174.928 175.800 -1.044 0.000 1.082 143 F CA -1.051 56.504 58.000 -0.741 0.000 0.929 143 F CB 1.446 40.229 39.000 -0.361 0.000 1.254 143 F HN 0.793 nan 8.300 nan 0.000 0.455 144 C N 0.748 119.866 119.300 -0.303 0.000 3.108 144 C HA 0.892 5.352 4.460 -0.000 0.000 0.321 144 C C -0.928 174.062 174.990 -0.001 0.000 1.357 144 C CA -1.345 57.605 59.018 -0.112 0.000 1.562 144 C CB 1.225 29.033 27.740 0.114 0.000 2.003 144 C HN 0.801 nan 8.230 nan 0.000 0.460 145 L N 2.096 123.335 121.223 0.027 0.000 2.325 145 L HA 0.763 5.103 4.340 -0.000 0.000 0.279 145 L C -0.014 176.887 176.870 0.052 0.000 1.054 145 L CA -0.477 54.386 54.840 0.038 0.000 0.804 145 L CB 1.517 43.601 42.059 0.042 0.000 1.200 145 L HN 0.795 nan 8.230 nan 0.000 0.436 146 V N -1.154 118.791 119.914 0.052 0.000 2.604 146 V HA 0.585 4.705 4.120 -0.000 0.000 0.305 146 V C -0.556 175.572 176.094 0.057 0.000 1.043 146 V CA -0.538 61.794 62.300 0.054 0.000 0.888 146 V CB 1.850 33.703 31.823 0.051 0.000 0.995 146 V HN 0.893 nan 8.190 nan 0.000 0.429 147 D N 1.456 121.889 120.400 0.056 0.000 2.563 147 D HA 0.192 4.832 4.640 -0.000 0.000 0.256 147 D C 0.123 176.454 176.300 0.052 0.000 1.400 147 D CA 0.673 54.708 54.000 0.057 0.000 0.800 147 D CB 0.372 41.211 40.800 0.064 0.000 1.145 147 D HN 0.960 nan 8.370 nan 0.000 0.501 148 S N -1.323 114.407 115.700 0.050 0.000 2.556 148 S HA 0.431 4.901 4.470 -0.000 0.000 0.271 148 S C 0.800 175.430 174.600 0.050 0.000 1.135 148 S CA -0.454 57.775 58.200 0.047 0.000 0.858 148 S CB 1.706 64.932 63.200 0.043 0.000 1.114 148 S HN -0.199 nan 8.310 nan 0.000 0.468 149 V N 1.382 121.327 119.914 0.052 0.000 2.332 149 V HA -0.139 3.981 4.120 -0.000 0.000 0.248 149 V C 2.786 178.918 176.094 0.063 0.000 1.055 149 V CA 2.622 64.960 62.300 0.062 0.000 1.038 149 V CB -1.040 30.819 31.823 0.060 0.000 0.651 149 V HN 1.038 nan 8.190 nan 0.000 0.450 150 E N 0.936 121.167 120.200 0.053 0.000 2.110 150 E HA -0.121 4.229 4.350 -0.000 0.000 0.193 150 E C 2.192 178.818 176.600 0.042 0.000 0.988 150 E CA 1.612 58.042 56.400 0.049 0.000 0.804 150 E CB -0.757 28.968 29.700 0.042 0.000 0.745 150 E HN 0.476 nan 8.360 nan 0.000 0.458 151 G N -0.148 108.676 108.800 0.041 0.000 2.408 151 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.217 151 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.217 151 G C 1.705 176.621 174.900 0.027 0.000 1.150 151 G CA 0.883 46.006 45.100 0.038 0.000 0.776 151 G HN 0.251 nan 8.290 nan 0.000 0.542 152 V N 0.736 120.665 119.914 0.025 0.000 2.358 152 V HA -0.161 3.959 4.120 -0.000 0.000 0.246 152 V C 2.679 178.715 176.094 -0.097 0.000 1.047 152 V CA 2.162 64.459 62.300 -0.004 0.000 1.035 152 V CB -0.470 31.381 31.823 0.047 0.000 0.658 152 V HN 0.463 nan 8.190 nan 0.000 0.452 153 E N -0.336 119.847 120.200 -0.028 0.000 2.077 153 E HA -0.271 4.078 4.350 -0.000 0.000 0.193 153 E C 2.331 178.873 176.600 -0.097 0.000 0.989 153 E CA 1.335 57.703 56.400 -0.054 0.000 0.800 153 E CB -0.158 29.609 29.700 0.111 0.000 0.746 153 E HN 0.666 nan 8.360 nan 0.000 0.452 154 Q N 0.408 120.199 119.800 -0.015 0.000 2.084 154 Q HA -0.145 4.194 4.340 -0.000 0.000 0.202 154 Q C 2.372 178.410 176.000 0.063 0.000 0.978 154 Q CA 1.006 56.825 55.803 0.027 0.000 0.844 154 Q CB -0.072 28.687 28.738 0.035 0.000 0.898 154 Q HN 0.308 nan 8.270 nan 0.000 0.426 155 L N -0.293 120.964 121.223 0.056 0.000 2.017 155 L HA -0.144 4.196 4.340 -0.000 0.000 0.208 155 L C 2.433 179.395 176.870 0.153 0.000 1.073 155 L CA 1.248 56.210 54.840 0.202 0.000 0.745 155 L CB -0.879 41.243 42.059 0.106 0.000 0.894 155 L HN 0.352 nan 8.230 nan 0.000 0.432 156 G N -0.598 108.026 108.800 -0.295 0.000 2.446 156 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.217 156 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.217 156 G C 1.443 176.172 174.900 -0.286 0.000 1.168 156 G CA 0.469 45.135 45.100 -0.723 0.000 0.771 156 G HN 0.272 nan 8.290 nan 0.000 0.551 157 E N 0.091 120.190 120.200 -0.169 0.000 2.051 157 E HA -0.108 4.242 4.350 -0.000 0.000 0.192 157 E C 2.106 178.745 176.600 0.064 0.000 0.991 157 E CA 0.621 57.066 56.400 0.075 0.000 0.799 157 E CB -0.502 29.260 29.700 0.103 0.000 0.748 157 E HN 0.467 nan 8.360 nan 0.000 0.449 158 F N 0.731 120.659 119.950 -0.036 0.000 2.051 158 F HA -0.202 4.324 4.527 -0.000 0.000 0.296 158 F C 2.182 177.866 175.800 -0.194 0.000 1.122 158 F CA 1.423 59.343 58.000 -0.134 0.000 1.201 158 F CB -0.478 38.389 39.000 -0.221 0.000 0.978 158 F HN -0.108 nan 8.300 nan 0.000 0.472 159 F N 0.762 120.726 119.950 0.025 0.000 2.216 159 F HA -0.137 4.390 4.527 -0.000 0.000 0.300 159 F C 2.458 178.197 175.800 -0.103 0.000 1.085 159 F CA 1.750 59.722 58.000 -0.047 0.000 1.326 159 F CB -0.756 38.288 39.000 0.073 0.000 1.027 159 F HN -0.060 nan 8.300 nan 0.000 0.497 160 K N 0.635 121.087 120.400 0.088 0.000 2.057 160 K HA -0.188 4.132 4.320 -0.000 0.000 0.207 160 K C 2.288 178.854 176.600 -0.058 0.000 1.049 160 K CA 1.660 57.981 56.287 0.056 0.000 0.931 160 K CB -0.271 32.310 32.500 0.135 0.000 0.714 160 K HN 0.259 nan 8.250 nan 0.000 0.440 161 S N -0.066 115.537 115.700 -0.162 0.000 2.442 161 S HA -0.090 4.380 4.470 -0.000 0.000 0.236 161 S C 1.636 176.066 174.600 -0.284 0.000 1.007 161 S CA 0.975 59.046 58.200 -0.215 0.000 0.965 161 S CB -0.250 62.795 63.200 -0.259 0.000 0.773 161 S HN 0.251 nan 8.310 nan 0.000 0.504 162 V N -2.103 117.584 119.914 -0.380 0.000 3.483 162 V HA 0.390 4.510 4.120 -0.000 0.000 0.301 162 V C 0.072 176.080 176.094 -0.144 0.000 1.389 162 V CA -0.318 61.796 62.300 -0.311 0.000 1.101 162 V CB -1.369 30.166 31.823 -0.481 0.000 0.971 162 V HN 0.416 nan 8.190 nan 0.000 0.434 163 N N 1.061 119.710 118.700 -0.085 0.000 2.758 163 N HA -0.139 4.601 4.740 -0.000 0.000 0.248 163 N C -0.217 175.306 175.510 0.021 0.000 1.076 163 N CA 1.007 54.046 53.050 -0.019 0.000 0.696 163 N CB -0.662 37.810 38.487 -0.026 0.000 0.979 163 N HN 0.616 nan 8.380 nan 0.000 0.550 164 K N 0.796 121.239 120.400 0.073 0.000 2.295 164 K HA 0.461 4.781 4.320 -0.000 0.000 0.239 164 K C 0.482 177.167 176.600 0.141 0.000 0.991 164 K CA -0.470 55.896 56.287 0.132 0.000 0.845 164 K CB 1.555 34.203 32.500 0.247 0.000 1.197 164 K HN 0.132 nan 8.250 nan 0.000 0.441 165 Q N 0.779 120.630 119.800 0.086 0.000 2.309 165 Q HA 0.549 4.889 4.340 -0.000 0.000 0.264 165 Q C -1.073 174.896 176.000 -0.052 0.000 1.008 165 Q CA -1.041 54.780 55.803 0.030 0.000 0.853 165 Q CB 1.985 30.732 28.738 0.014 0.000 1.314 165 Q HN 0.248 nan 8.270 nan 0.000 0.448 166 L N 1.684 122.829 121.223 -0.130 0.000 2.409 166 L HA 0.294 4.633 4.340 -0.000 0.000 0.272 166 L C -1.217 175.575 176.870 -0.129 0.000 0.980 166 L CA -0.143 54.552 54.840 -0.241 0.000 0.826 166 L CB 2.031 43.709 42.059 -0.635 0.000 1.268 166 L HN 0.552 nan 8.230 nan 0.000 0.407 167 Q N 3.943 123.675 119.800 -0.113 0.000 2.286 167 Q HA 0.583 4.923 4.340 -0.000 0.000 0.257 167 Q C -0.680 175.308 176.000 -0.020 0.000 0.941 167 Q CA -0.522 55.226 55.803 -0.092 0.000 0.912 167 Q CB 1.983 30.568 28.738 -0.256 0.000 1.192 167 Q HN 0.602 nan 8.270 nan 0.000 0.410 168 V N 0.612 120.554 119.914 0.046 0.000 2.769 168 V HA 0.656 4.776 4.120 -0.000 0.000 0.312 168 V C -0.786 175.374 176.094 0.110 0.000 1.061 168 V CA -1.097 61.243 62.300 0.067 0.000 0.931 168 V CB 1.541 33.390 31.823 0.043 0.000 1.010 168 V HN 0.616 nan 8.190 nan 0.000 0.433 169 L N 4.123 125.395 121.223 0.082 0.000 2.313 169 L HA 0.532 4.872 4.340 -0.000 0.000 0.283 169 L C -0.362 176.540 176.870 0.054 0.000 1.013 169 L CA -0.835 54.038 54.840 0.055 0.000 0.816 169 L CB 1.698 43.745 42.059 -0.018 0.000 1.236 169 L HN 0.658 nan 8.230 nan 0.000 0.419 170 L N 3.581 124.846 121.223 0.071 0.000 2.500 170 L HA 0.124 4.464 4.340 -0.000 0.000 0.272 170 L C 0.334 177.232 176.870 0.047 0.000 1.149 170 L CA 0.645 55.522 54.840 0.062 0.000 0.897 170 L CB 0.339 42.439 42.059 0.068 0.000 1.178 170 L HN 0.606 nan 8.230 nan 0.000 0.473 171 E N 5.502 125.735 120.200 0.056 0.000 2.200 171 E HA 0.361 4.711 4.350 -0.000 0.000 0.283 171 E C -1.240 175.417 176.600 0.095 0.000 1.015 171 E CA -0.640 55.801 56.400 0.070 0.000 0.819 171 E CB 0.756 30.505 29.700 0.082 0.000 1.081 171 E HN 0.678 nan 8.360 nan 0.000 0.397 172 L N 3.456 124.751 121.223 0.120 0.000 2.325 172 L HA 0.657 4.997 4.340 -0.000 0.000 0.279 172 L C 0.646 177.739 176.870 0.372 0.000 1.054 172 L CA -0.678 54.288 54.840 0.210 0.000 0.804 172 L CB 1.564 43.740 42.059 0.196 0.000 1.200 172 L HN 0.647 nan 8.230 nan 0.000 0.436 173 G N 0.998 109.969 108.800 0.285 0.000 2.949 173 G HA2 0.738 4.698 3.960 -0.000 0.000 0.285 173 G HA3 0.738 4.698 3.960 -0.000 0.000 0.285 173 G C -1.158 173.647 174.900 -0.157 0.000 1.395 173 G CA -0.490 44.692 45.100 0.135 0.000 0.901 173 G HN 0.527 nan 8.290 nan 0.000 0.519 174 V N -3.142 116.599 119.914 -0.288 0.000 2.962 174 V HA 0.778 4.898 4.120 -0.000 0.000 0.313 174 V C -2.877 173.105 176.094 -0.188 0.000 1.099 174 V CA -2.738 59.340 62.300 -0.369 0.000 0.971 174 V CB 1.851 33.299 31.823 -0.626 0.000 1.028 174 V HN 0.525 nan 8.190 nan 0.000 0.430 175 P HA 0.287 nan 4.420 nan 0.000 0.262 175 P C 1.026 178.276 177.300 -0.083 0.000 1.182 175 P CA 1.964 65.011 63.100 -0.090 0.000 0.761 175 P CB 0.670 32.324 31.700 -0.077 0.000 0.795 176 G N 1.948 110.717 108.800 -0.051 0.000 2.189 176 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.267 176 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.267 176 G C 0.721 175.599 174.900 -0.036 0.000 0.975 176 G CA 0.157 45.235 45.100 -0.038 0.000 0.644 176 G HN 0.847 nan 8.290 nan 0.000 0.537 177 G N -0.875 107.896 108.800 -0.049 0.000 2.783 177 G HA2 0.615 4.575 3.960 -0.000 0.000 0.182 177 G HA3 0.615 4.575 3.960 -0.000 0.000 0.182 177 G C 0.649 175.562 174.900 0.021 0.000 1.516 177 G CA 0.666 45.749 45.100 -0.028 0.000 1.079 177 G HN 0.574 nan 8.290 nan 0.000 0.573 178 R N -1.604 118.930 120.500 0.056 0.000 2.188 178 R HA 0.370 4.710 4.340 -0.000 0.000 0.118 178 R C 1.231 177.573 176.300 0.070 0.000 1.695 178 R CA 0.477 56.624 56.100 0.078 0.000 1.482 178 R CB -0.218 30.158 30.300 0.126 0.000 1.232 178 R HN 0.605 nan 8.270 nan 0.000 0.459 179 T N -1.731 112.878 114.554 0.091 0.000 2.810 179 T HA 0.635 4.985 4.350 -0.000 0.000 0.277 179 T C 0.359 175.118 174.700 0.098 0.000 0.973 179 T CA -0.072 62.078 62.100 0.083 0.000 0.949 179 T CB 1.094 70.012 68.868 0.083 0.000 1.075 179 T HN 0.817 nan 8.240 nan 0.000 0.537 180 G N -0.528 108.327 108.800 0.091 0.000 2.770 180 G HA2 0.231 4.191 3.960 -0.000 0.000 0.686 180 G HA3 0.231 4.191 3.960 -0.000 0.000 0.686 180 G C -0.406 174.543 174.900 0.082 0.000 1.180 180 G CA -0.639 44.524 45.100 0.106 0.000 0.767 180 G HN 1.925 nan 8.290 nan 0.000 0.646 181 V N 0.706 120.669 119.914 0.081 0.000 2.673 181 V HA 0.470 4.590 4.120 -0.000 0.000 0.303 181 V C 1.418 177.549 176.094 0.061 0.000 1.046 181 V CA 0.210 62.547 62.300 0.063 0.000 1.126 181 V CB 1.219 33.077 31.823 0.058 0.000 0.934 181 V HN 0.837 nan 8.190 nan 0.000 0.487 182 R N 2.415 122.936 120.500 0.035 0.000 2.223 182 R HA 0.227 4.566 4.340 -0.000 0.000 0.198 182 R C 0.095 176.404 176.300 0.015 0.000 0.984 182 R CA 0.914 57.022 56.100 0.013 0.000 1.018 182 R CB -0.426 29.873 30.300 -0.002 0.000 0.945 182 R HN 1.097 nan 8.270 nan 0.000 0.479 183 D N -2.933 117.481 120.400 0.024 0.000 2.677 183 D HA 0.320 4.960 4.640 -0.000 0.000 0.298 183 D C 0.259 176.574 176.300 0.024 0.000 1.250 183 D CA -0.312 53.701 54.000 0.021 0.000 0.888 183 D CB 0.267 41.073 40.800 0.011 0.000 1.397 183 D HN -0.165 nan 8.370 nan 0.000 0.461 184 A N -0.076 122.755 122.820 0.019 0.000 1.969 184 A HA 0.217 4.537 4.320 -0.000 0.000 0.218 184 A C 2.071 179.662 177.584 0.012 0.000 1.169 184 A CA 2.253 54.298 52.037 0.015 0.000 0.635 184 A CB -1.224 17.782 19.000 0.009 0.000 0.810 184 A HN 0.713 nan 8.150 nan 0.000 0.445 185 A N -0.689 122.138 122.820 0.012 0.000 1.873 185 A HA -0.168 4.152 4.320 -0.000 0.000 0.215 185 A C 2.119 179.712 177.584 0.015 0.000 1.186 185 A CA 1.581 53.625 52.037 0.011 0.000 0.616 185 A CB -0.565 18.441 19.000 0.010 0.000 0.823 185 A HN 0.606 nan 8.150 nan 0.000 0.442 186 Q N -0.872 118.939 119.800 0.019 0.000 2.030 186 Q HA -0.219 4.121 4.340 -0.000 0.000 0.204 186 Q C 2.426 178.442 176.000 0.027 0.000 0.986 186 Q CA 1.680 57.498 55.803 0.025 0.000 0.843 186 Q CB -0.285 28.470 28.738 0.028 0.000 0.904 186 Q HN 0.605 nan 8.270 nan 0.000 0.420 187 R N 0.712 121.228 120.500 0.027 0.000 2.112 187 R HA -0.218 4.121 4.340 -0.000 0.000 0.242 187 R C 1.565 177.875 176.300 0.016 0.000 1.137 187 R CA 1.890 58.005 56.100 0.025 0.000 0.944 187 R CB -0.320 29.994 30.300 0.023 0.000 0.857 187 R HN 0.323 nan 8.270 nan 0.000 0.435 188 N N 0.246 118.952 118.700 0.010 0.000 2.188 188 N HA -0.099 4.641 4.740 -0.000 0.000 0.184 188 N C 1.600 177.117 175.510 0.011 0.000 1.018 188 N CA 1.354 54.406 53.050 0.003 0.000 0.858 188 N CB -0.326 38.161 38.487 -0.001 0.000 0.989 188 N HN 0.341 nan 8.380 nan 0.000 0.426 189 A N 0.653 123.484 122.820 0.019 0.000 1.898 189 A HA -0.057 4.263 4.320 -0.000 0.000 0.216 189 A C 2.486 180.092 177.584 0.037 0.000 1.181 189 A CA 1.170 53.223 52.037 0.027 0.000 0.620 189 A CB -0.701 18.316 19.000 0.028 0.000 0.819 189 A HN 0.088 nan 8.150 nan 0.000 0.442 190 V N 0.194 120.131 119.914 0.038 0.000 2.295 190 V HA -0.259 3.861 4.120 -0.000 0.000 0.246 190 V C 2.570 178.693 176.094 0.047 0.000 1.049 190 V CA 1.953 64.282 62.300 0.047 0.000 1.024 190 V CB -0.840 31.010 31.823 0.046 0.000 0.648 190 V HN 0.564 nan 8.190 nan 0.000 0.447 191 L N -0.177 121.063 121.223 0.030 0.000 2.042 191 L HA -0.219 4.121 4.340 -0.000 0.000 0.210 191 L C 2.649 179.532 176.870 0.022 0.000 1.076 191 L CA 1.857 56.707 54.840 0.016 0.000 0.749 191 L CB -0.543 41.507 42.059 -0.015 0.000 0.893 191 L HN 0.371 nan 8.230 nan 0.000 0.432 192 E N 0.425 120.638 120.200 0.023 0.000 2.077 192 E HA -0.202 4.148 4.350 -0.000 0.000 0.193 192 E C 2.143 178.773 176.600 0.051 0.000 0.989 192 E CA 1.461 57.875 56.400 0.024 0.000 0.800 192 E CB -0.133 29.577 29.700 0.018 0.000 0.746 192 E HN 0.371 nan 8.360 nan 0.000 0.452 193 A N 0.429 123.296 122.820 0.079 0.000 1.940 193 A HA -0.168 4.152 4.320 -0.000 0.000 0.219 193 A C 2.320 180.032 177.584 0.212 0.000 1.176 193 A CA 1.557 53.678 52.037 0.141 0.000 0.631 193 A CB -0.732 18.352 19.000 0.140 0.000 0.814 193 A HN 0.370 nan 8.150 nan 0.000 0.446 194 I N 0.244 120.906 120.570 0.153 0.000 2.286 194 I HA -0.225 3.945 4.170 -0.000 0.000 0.248 194 I C 2.756 178.967 176.117 0.157 0.000 1.115 194 I CA 1.764 63.165 61.300 0.168 0.000 1.392 194 I CB -0.464 37.595 38.000 0.100 0.000 1.065 194 I HN 0.548 nan 8.210 nan 0.000 0.418 195 T N -1.459 113.145 114.554 0.082 0.000 3.007 195 T HA -0.108 4.242 4.350 -0.000 0.000 0.270 195 T C 1.812 176.507 174.700 -0.008 0.000 1.107 195 T CA 0.693 62.813 62.100 0.034 0.000 1.118 195 T CB -0.341 68.530 68.868 0.005 0.000 0.889 195 T HN 0.333 nan 8.240 nan 0.000 0.506 196 R N -0.293 120.186 120.500 -0.036 0.000 2.276 196 R HA 0.103 4.443 4.340 -0.000 0.000 0.203 196 R C -0.106 175.852 176.300 -0.570 0.000 1.017 196 R CA 0.528 56.464 56.100 -0.273 0.000 1.010 196 R CB -0.023 30.077 30.300 -0.332 0.000 0.900 196 R HN 0.539 nan 8.270 nan 0.000 0.469 197 Y N 0.326 120.646 120.300 0.032 0.000 2.553 197 Y HA 0.245 4.795 4.550 -0.000 0.000 0.369 197 Y C -1.629 174.290 175.900 0.032 0.000 0.964 197 Y CA -2.337 55.786 58.100 0.039 0.000 1.156 197 Y CB 0.871 39.365 38.460 0.056 0.000 1.218 197 Y HN -0.028 nan 8.280 nan 0.000 0.630 198 P HA -0.133 nan 4.420 nan 0.000 0.220 198 P C 0.384 177.722 177.300 0.064 0.000 1.148 198 P CA 1.538 64.671 63.100 0.055 0.000 0.803 198 P CB 0.580 32.289 31.700 0.015 0.000 0.782 199 D N -1.547 118.896 120.400 0.073 0.000 2.349 199 D HA 0.055 4.695 4.640 -0.000 0.000 0.214 199 D C 1.157 177.506 176.300 0.082 0.000 1.063 199 D CA 0.704 54.742 54.000 0.064 0.000 0.847 199 D CB 0.551 41.381 40.800 0.050 0.000 0.933 199 D HN 0.179 nan 8.370 nan 0.000 0.513 200 T N -0.140 114.486 114.554 0.120 0.000 3.221 200 T HA 0.222 4.572 4.350 -0.000 0.000 0.250 200 T C 0.923 175.675 174.700 0.087 0.000 0.988 200 T CA -0.064 62.113 62.100 0.128 0.000 1.163 200 T CB 0.995 69.981 68.868 0.197 0.000 1.098 200 T HN -0.080 nan 8.240 nan 0.000 0.422 201 L N 2.348 123.638 121.223 0.112 0.000 2.307 201 L HA 0.518 4.858 4.340 -0.000 0.000 0.282 201 L C -0.350 176.558 176.870 0.063 0.000 1.051 201 L CA -0.737 54.139 54.840 0.060 0.000 0.804 201 L CB 0.756 42.860 42.059 0.074 0.000 1.197 201 L HN -0.117 nan 8.230 nan 0.000 0.431 202 K N 4.052 124.475 120.400 0.038 0.000 2.535 202 K HA 0.355 4.675 4.320 -0.000 0.000 0.253 202 K C -0.944 175.708 176.600 0.086 0.000 0.953 202 K CA -0.812 55.508 56.287 0.055 0.000 0.863 202 K CB 2.216 34.731 32.500 0.024 0.000 1.111 202 K HN 0.341 nan 8.250 nan 0.000 0.431 203 L N 2.714 124.012 121.223 0.125 0.000 2.456 203 L HA 0.142 4.482 4.340 -0.000 0.000 0.277 203 L C 0.800 177.844 176.870 0.291 0.000 1.124 203 L CA 0.667 55.623 54.840 0.195 0.000 0.880 203 L CB 0.547 42.713 42.059 0.178 0.000 1.192 203 L HN 0.789 nan 8.230 nan 0.000 0.463 204 A N 3.468 126.422 122.820 0.223 0.000 2.343 204 A HA 0.735 5.055 4.320 -0.000 0.000 0.223 204 A C 0.814 178.336 177.584 -0.103 0.000 1.214 204 A CA 0.550 52.671 52.037 0.140 0.000 0.900 204 A CB -0.142 19.030 19.000 0.286 0.000 0.942 204 A HN 0.996 nan 8.150 nan 0.000 0.507 205 G N -1.907 106.857 108.800 -0.059 0.000 2.351 205 G HA2 0.412 4.372 3.960 -0.000 0.000 0.279 205 G HA3 0.412 4.372 3.960 -0.000 0.000 0.279 205 G C -1.721 173.189 174.900 0.017 0.000 1.297 205 G CA 0.095 45.024 45.100 -0.285 0.000 0.886 205 G HN 0.642 nan 8.290 nan 0.000 0.493 206 V N 0.560 120.416 119.914 -0.097 0.000 2.841 206 V HA 0.825 4.945 4.120 -0.000 0.000 0.310 206 V C -0.685 175.330 176.094 -0.131 0.000 1.090 206 V CA -0.667 61.600 62.300 -0.055 0.000 0.930 206 V CB 1.915 33.714 31.823 -0.042 0.000 1.014 206 V HN 0.919 nan 8.190 nan 0.000 0.425 207 E N 3.278 123.434 120.200 -0.075 0.000 2.356 207 E HA 0.725 5.075 4.350 -0.000 0.000 0.275 207 E C -2.157 174.436 176.600 -0.012 0.000 0.904 207 E CA -0.501 55.862 56.400 -0.062 0.000 0.757 207 E CB 2.537 32.206 29.700 -0.052 0.000 1.232 207 E HN 0.614 nan 8.360 nan 0.000 0.442 208 L N 0.483 121.714 121.223 0.013 0.000 2.491 208 L HA 0.591 4.931 4.340 -0.000 0.000 0.254 208 L C -1.457 175.527 176.870 0.190 0.000 1.048 208 L CA -1.064 53.815 54.840 0.064 0.000 0.855 208 L CB 0.969 42.902 42.059 -0.210 0.000 1.466 208 L HN 0.440 nan 8.230 nan 0.000 0.409 209 Y N 1.668 122.055 120.300 0.145 0.000 2.464 209 Y HA 0.431 4.981 4.550 -0.000 0.000 0.326 209 Y C 0.980 177.020 175.900 0.234 0.000 0.969 209 Y CA -0.973 57.219 58.100 0.154 0.000 1.270 209 Y CB 1.083 39.628 38.460 0.141 0.000 1.103 209 Y HN 0.892 nan 8.280 nan 0.000 0.491 210 E N 2.412 122.516 120.200 -0.161 0.000 2.427 210 E HA -0.024 4.326 4.350 -0.000 0.000 0.196 210 E C 1.299 177.628 176.600 -0.451 0.000 1.028 210 E CA 0.934 57.240 56.400 -0.156 0.000 0.864 210 E CB -0.176 29.388 29.700 -0.228 0.000 0.813 210 E HN 0.888 nan 8.360 nan 0.000 0.514 211 G N 1.964 110.216 108.800 -0.915 0.000 2.744 211 G HA2 -0.060 3.900 3.960 -0.000 0.000 0.211 211 G HA3 -0.060 3.900 3.960 -0.000 0.000 0.211 211 G C 1.655 176.315 174.900 -0.401 0.000 1.143 211 G CA 0.736 45.486 45.100 -0.584 0.000 0.788 211 G HN 0.282 nan 8.290 nan 0.000 0.534 212 V N -1.307 118.325 119.914 -0.471 0.000 2.759 212 V HA 0.202 4.322 4.120 -0.000 0.000 0.256 212 V C 1.308 177.333 176.094 -0.116 0.000 1.080 212 V CA 0.493 62.716 62.300 -0.129 0.000 1.101 212 V CB -0.657 31.128 31.823 -0.064 0.000 0.698 212 V HN 0.173 nan 8.190 nan 0.000 0.477 213 L N -0.132 120.979 121.223 -0.186 0.000 2.399 213 L HA 0.433 4.773 4.340 -0.000 0.000 0.266 213 L C 1.241 178.073 176.870 -0.064 0.000 1.114 213 L CA -0.357 54.381 54.840 -0.169 0.000 0.804 213 L CB 1.117 43.011 42.059 -0.275 0.000 1.146 213 L HN -0.038 nan 8.230 nan 0.000 0.451 214 K N 0.640 121.037 120.400 -0.004 0.000 2.387 214 K HA 0.150 4.470 4.320 -0.000 0.000 0.197 214 K C 0.436 177.170 176.600 0.224 0.000 1.127 214 K CA 0.452 56.828 56.287 0.149 0.000 0.950 214 K CB 0.544 33.105 32.500 0.102 0.000 1.017 214 K HN 0.641 nan 8.250 nan 0.000 0.519 215 E N 0.992 121.235 120.200 0.072 0.000 2.242 215 E HA 0.165 4.515 4.350 -0.000 0.000 0.275 215 E C 0.568 177.148 176.600 -0.034 0.000 1.002 215 E CA -0.188 56.272 56.400 0.101 0.000 0.841 215 E CB 1.012 30.752 29.700 0.068 0.000 1.109 215 E HN 0.316 nan 8.360 nan 0.000 0.394 216 E N 0.143 120.412 120.200 0.116 0.000 2.072 216 E HA -0.274 4.075 4.350 -0.000 0.000 0.191 216 E C 1.720 178.279 176.600 -0.067 0.000 0.985 216 E CA 1.732 58.143 56.400 0.017 0.000 0.801 216 E CB -0.178 29.690 29.700 0.280 0.000 0.750 216 E HN 0.879 nan 8.360 nan 0.000 0.452 217 H N 0.374 119.413 119.070 -0.052 0.000 2.421 217 H HA -0.066 4.490 4.556 -0.000 0.000 0.298 217 H C 1.758 177.032 175.328 -0.091 0.000 1.087 217 H CA 2.099 58.114 56.048 -0.055 0.000 1.330 217 H CB 0.169 29.916 29.762 -0.025 0.000 1.388 217 H HN 0.268 nan 8.280 nan 0.000 0.526 218 E N -0.380 119.725 120.200 -0.158 0.000 2.046 218 E HA -0.114 4.236 4.350 -0.000 0.000 0.190 218 E C 2.426 178.867 176.600 -0.265 0.000 0.982 218 E CA 1.164 57.435 56.400 -0.216 0.000 0.800 218 E CB 0.082 29.695 29.700 -0.146 0.000 0.756 218 E HN 0.294 nan 8.360 nan 0.000 0.449 219 V N 1.515 121.202 119.914 -0.378 0.000 2.255 219 V HA -0.309 3.810 4.120 -0.000 0.000 0.247 219 V C 2.295 178.204 176.094 -0.309 0.000 1.051 219 V CA 1.954 63.972 62.300 -0.469 0.000 1.018 219 V CB -0.536 30.657 31.823 -1.050 0.000 0.641 219 V HN 0.214 nan 8.190 nan 0.000 0.445 220 R N -0.403 119.923 120.500 -0.290 0.000 2.105 220 R HA -0.216 4.124 4.340 -0.000 0.000 0.239 220 R C 2.400 178.593 176.300 -0.179 0.000 1.135 220 R CA 1.811 57.784 56.100 -0.212 0.000 0.967 220 R CB -0.305 29.900 30.300 -0.158 0.000 0.861 220 R HN 0.664 nan 8.270 nan 0.000 0.442 221 E N 0.010 120.069 120.200 -0.236 0.000 2.072 221 E HA -0.185 4.165 4.350 -0.000 0.000 0.190 221 E C 1.651 178.241 176.600 -0.018 0.000 0.982 221 E CA 0.743 57.035 56.400 -0.180 0.000 0.803 221 E CB -0.043 29.469 29.700 -0.314 0.000 0.755 221 E HN 0.149 nan 8.360 nan 0.000 0.453 222 F N 1.541 121.372 119.950 -0.198 0.000 2.075 222 F HA -0.146 4.381 4.527 -0.000 0.000 0.297 222 F C 1.861 177.609 175.800 -0.087 0.000 1.113 222 F CA 1.299 59.213 58.000 -0.143 0.000 1.218 222 F CB -0.625 38.265 39.000 -0.184 0.000 0.984 222 F HN 0.016 nan 8.300 nan 0.000 0.472 223 L N -0.235 120.898 121.223 -0.150 0.000 2.042 223 L HA -0.276 4.064 4.340 -0.000 0.000 0.210 223 L C 2.506 179.375 176.870 -0.001 0.000 1.076 223 L CA 1.685 56.434 54.840 -0.152 0.000 0.749 223 L CB -0.911 40.975 42.059 -0.289 0.000 0.893 223 L HN 0.181 nan 8.230 nan 0.000 0.432 224 Q N -0.673 119.110 119.800 -0.029 0.000 2.124 224 Q HA -0.165 4.175 4.340 -0.000 0.000 0.202 224 Q C 2.427 178.426 176.000 -0.002 0.000 0.977 224 Q CA 1.685 57.483 55.803 -0.007 0.000 0.850 224 Q CB -0.060 28.662 28.738 -0.026 0.000 0.901 224 Q HN 0.406 nan 8.270 nan 0.000 0.429 225 S N 0.463 116.166 115.700 0.006 0.000 2.383 225 S HA -0.143 4.327 4.470 -0.000 0.000 0.227 225 S C 2.015 176.608 174.600 -0.010 0.000 1.026 225 S CA 0.916 59.127 58.200 0.019 0.000 0.981 225 S CB -0.233 63.014 63.200 0.078 0.000 0.818 225 S HN 0.512 nan 8.310 nan 0.000 0.472 226 A N 1.124 123.911 122.820 -0.055 0.000 1.902 226 A HA -0.048 4.272 4.320 -0.000 0.000 0.217 226 A C 2.318 179.836 177.584 -0.110 0.000 1.181 226 A CA 1.442 53.418 52.037 -0.101 0.000 0.623 226 A CB -0.877 18.028 19.000 -0.158 0.000 0.818 226 A HN 0.341 nan 8.150 nan 0.000 0.443 227 V N -0.173 119.699 119.914 -0.070 0.000 2.295 227 V HA -0.256 3.864 4.120 -0.000 0.000 0.246 227 V C 3.059 179.123 176.094 -0.051 0.000 1.049 227 V CA 1.987 64.238 62.300 -0.081 0.000 1.024 227 V CB -1.213 30.603 31.823 -0.011 0.000 0.648 227 V HN 0.623 nan 8.190 nan 0.000 0.447 228 A N -0.280 122.523 122.820 -0.028 0.000 1.877 228 A HA -0.155 4.165 4.320 -0.000 0.000 0.216 228 A C 2.390 179.960 177.584 -0.024 0.000 1.186 228 A CA 2.053 54.078 52.037 -0.020 0.000 0.620 228 A CB -0.702 18.292 19.000 -0.011 0.000 0.822 228 A HN 0.330 nan 8.150 nan 0.000 0.443 229 V N -0.111 119.789 119.914 -0.025 0.000 2.295 229 V HA -0.249 3.871 4.120 -0.000 0.000 0.246 229 V C 2.759 178.840 176.094 -0.021 0.000 1.049 229 V CA 2.522 64.807 62.300 -0.025 0.000 1.024 229 V CB -1.367 30.447 31.823 -0.016 0.000 0.648 229 V HN 0.620 nan 8.190 nan 0.000 0.447 230 T N -0.160 114.392 114.554 -0.003 0.000 2.652 230 T HA -0.228 4.122 4.350 -0.000 0.000 0.267 230 T C 2.052 176.800 174.700 0.079 0.000 1.039 230 T CA 1.747 63.896 62.100 0.082 0.000 1.153 230 T CB -0.285 68.569 68.868 -0.022 0.000 0.863 230 T HN 0.432 nan 8.240 nan 0.000 0.428 231 R N 0.731 121.238 120.500 0.012 0.000 2.096 231 R HA -0.072 4.268 4.340 -0.000 0.000 0.235 231 R C 2.581 178.874 176.300 -0.012 0.000 1.127 231 R CA 1.393 57.498 56.100 0.008 0.000 0.968 231 R CB -0.225 30.069 30.300 -0.009 0.000 0.861 231 R HN 0.542 nan 8.270 nan 0.000 0.440 232 E N 0.997 121.176 120.200 -0.034 0.000 2.110 232 E HA -0.170 4.180 4.350 -0.000 0.000 0.193 232 E C 1.863 178.396 176.600 -0.111 0.000 0.988 232 E CA 0.906 57.270 56.400 -0.059 0.000 0.804 232 E CB 0.046 29.712 29.700 -0.056 0.000 0.745 232 E HN 0.283 nan 8.360 nan 0.000 0.458 233 L N 0.034 121.147 121.223 -0.185 0.000 2.156 233 L HA -0.127 4.213 4.340 -0.000 0.000 0.208 233 L C 2.392 179.051 176.870 -0.351 0.000 1.095 233 L CA 0.308 54.894 54.840 -0.424 0.000 0.770 233 L CB -0.135 41.383 42.059 -0.901 0.000 0.914 233 L HN 0.087 nan 8.230 nan 0.000 0.439 234 V N -0.020 119.848 119.914 -0.076 0.000 2.270 234 V HA -0.272 3.848 4.120 -0.000 0.000 0.245 234 V C 2.344 178.439 176.094 0.003 0.000 1.043 234 V CA 1.870 64.213 62.300 0.072 0.000 1.014 234 V CB -0.398 31.500 31.823 0.125 0.000 0.645 234 V HN 0.439 nan 8.190 nan 0.000 0.447 235 E N -0.219 119.969 120.200 -0.020 0.000 2.077 235 E HA -0.270 4.080 4.350 -0.000 0.000 0.193 235 E C 2.171 178.749 176.600 -0.038 0.000 0.989 235 E CA 1.287 57.673 56.400 -0.023 0.000 0.800 235 E CB -0.161 29.525 29.700 -0.023 0.000 0.746 235 E HN 0.652 nan 8.360 nan 0.000 0.452 236 Q N 0.256 120.015 119.800 -0.068 0.000 2.482 236 Q HA -0.052 4.288 4.340 -0.000 0.000 0.209 236 Q C -0.441 175.515 176.000 -0.073 0.000 0.961 236 Q CA 0.207 55.965 55.803 -0.074 0.000 0.945 236 Q CB 0.167 28.845 28.738 -0.100 0.000 1.012 236 Q HN 0.222 nan 8.270 nan 0.000 0.515 237 E N -0.200 119.962 120.200 -0.062 0.000 2.360 237 E HA -0.259 4.090 4.350 -0.000 0.000 0.238 237 E C 0.259 176.823 176.600 -0.060 0.000 1.186 237 E CA -0.051 56.330 56.400 -0.031 0.000 0.719 237 E CB -0.493 29.202 29.700 -0.008 0.000 1.236 237 E HN 0.274 nan 8.360 nan 0.000 0.386 238 R N -0.455 119.943 120.500 -0.170 0.000 2.317 238 R HA 0.119 4.458 4.340 -0.000 0.000 0.208 238 R C 0.224 176.417 176.300 -0.178 0.000 0.914 238 R CA 0.323 56.304 56.100 -0.200 0.000 1.060 238 R CB 0.203 30.331 30.300 -0.287 0.000 1.015 238 R HN 0.026 nan 8.270 nan 0.000 0.498 239 F N 0.099 120.048 119.950 -0.001 0.000 2.396 239 F HA 0.253 4.779 4.527 -0.000 0.000 0.343 239 F C 1.374 177.180 175.800 0.011 0.000 1.104 239 F CA -0.811 57.191 58.000 0.004 0.000 1.161 239 F CB 1.193 40.191 39.000 -0.003 0.000 1.146 239 F HN -0.083 nan 8.300 nan 0.000 0.522 240 A N 3.433 126.396 122.820 0.238 0.000 2.308 240 A HA 0.181 4.501 4.320 -0.000 0.000 0.217 240 A C 0.968 178.612 177.584 0.099 0.000 1.216 240 A CA -0.013 52.102 52.037 0.130 0.000 0.864 240 A CB -0.082 18.975 19.000 0.095 0.000 0.902 240 A HN 0.658 nan 8.150 nan 0.000 0.499 241 R N -0.190 120.373 120.500 0.105 0.000 2.637 241 R HA 0.663 5.003 4.340 -0.000 0.000 0.291 241 R C -1.260 175.061 176.300 0.034 0.000 0.963 241 R CA -0.223 55.912 56.100 0.058 0.000 0.901 241 R CB 1.559 31.901 30.300 0.070 0.000 1.160 241 R HN 0.151 nan 8.270 nan 0.000 0.457 242 A N 5.452 128.291 122.820 0.031 0.000 2.310 242 A HA 0.482 4.802 4.320 -0.000 0.000 0.304 242 A C -2.299 175.298 177.584 0.022 0.000 1.231 242 A CA -1.424 50.624 52.037 0.019 0.000 0.799 242 A CB 0.860 19.877 19.000 0.028 0.000 1.162 242 A HN 0.627 nan 8.150 nan 0.000 0.486 243 P HA 0.509 nan 4.420 nan 0.000 0.276 243 P C 0.126 177.358 177.300 -0.113 0.000 1.244 243 P CA -0.213 62.859 63.100 -0.047 0.000 0.801 243 P CB 1.054 32.722 31.700 -0.052 0.000 1.006 244 A N 1.407 124.067 122.820 -0.267 0.000 2.425 244 A HA 0.303 4.623 4.320 -0.000 0.000 0.242 244 A C 0.088 177.412 177.584 -0.433 0.000 1.077 244 A CA -0.341 51.361 52.037 -0.558 0.000 0.781 244 A CB -0.090 18.091 19.000 -1.365 0.000 1.020 244 A HN 0.373 nan 8.150 nan 0.000 0.494 245 V N 2.598 122.250 119.914 -0.438 0.000 2.394 245 V HA 0.374 4.494 4.120 -0.000 0.000 0.282 245 V C -0.358 175.461 176.094 -0.459 0.000 1.031 245 V CA -0.371 61.668 62.300 -0.435 0.000 0.881 245 V CB 1.092 32.614 31.823 -0.501 0.000 0.982 245 V HN 0.736 nan 8.190 nan 0.000 0.451 246 L N 5.064 126.012 121.223 -0.457 0.000 2.319 246 L HA 0.707 5.046 4.340 -0.000 0.000 0.281 246 L C -0.164 176.456 176.870 -0.417 0.000 1.005 246 L CA 0.490 55.037 54.840 -0.490 0.000 0.828 246 L CB 1.702 43.362 42.059 -0.665 0.000 1.227 246 L HN 0.636 nan 8.230 nan 0.000 0.415 247 S N 3.111 118.640 115.700 -0.286 0.000 2.502 247 S HA 0.924 5.394 4.470 -0.000 0.000 0.304 247 S C -0.234 174.414 174.600 0.080 0.000 1.097 247 S CA -0.053 58.068 58.200 -0.131 0.000 1.045 247 S CB 1.068 64.137 63.200 -0.218 0.000 1.019 247 S HN 0.990 nan 8.310 nan 0.000 0.481 248 G N 1.680 110.604 108.800 0.207 0.000 2.685 248 G HA2 0.655 4.615 3.960 -0.000 0.000 0.298 248 G HA3 0.655 4.615 3.960 -0.000 0.000 0.298 248 G C 0.781 175.750 174.900 0.115 0.000 1.277 248 G CA -0.178 45.008 45.100 0.143 0.000 0.986 248 G HN 0.911 nan 8.290 nan 0.000 0.487 249 A N -0.653 122.283 122.820 0.193 0.000 1.841 249 A HA 0.369 4.689 4.320 -0.000 0.000 0.214 249 A C 2.195 179.897 177.584 0.197 0.000 1.195 249 A CA 2.210 54.407 52.037 0.266 0.000 0.611 249 A CB -1.179 18.114 19.000 0.489 0.000 0.835 249 A HN 2.555 nan 8.150 nan 0.000 0.443 250 G N -0.896 108.003 108.800 0.165 0.000 2.273 250 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.280 250 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.280 250 G C 0.771 175.830 174.900 0.265 0.000 1.047 250 G CA 1.481 46.679 45.100 0.163 0.000 0.869 250 G HN 1.477 nan 8.290 nan 0.000 0.502 251 S N -0.811 115.025 115.700 0.226 0.000 2.696 251 S HA 0.601 5.071 4.470 -0.000 0.000 0.172 251 S C 2.589 177.245 174.600 0.093 0.000 0.767 251 S CA 1.180 59.475 58.200 0.158 0.000 0.856 251 S CB -0.561 62.731 63.200 0.153 0.000 0.782 251 S HN 1.524 nan 8.310 nan 0.000 0.582 252 A N 0.527 123.361 122.820 0.025 0.000 1.940 252 A HA -0.009 4.311 4.320 -0.000 0.000 0.219 252 A C 1.507 178.859 177.584 -0.387 0.000 1.176 252 A CA 1.254 53.159 52.037 -0.219 0.000 0.631 252 A CB -1.102 17.703 19.000 -0.324 0.000 0.814 252 A HN 0.791 nan 8.150 nan 0.000 0.446 253 W N -2.049 119.272 121.300 0.034 0.000 3.194 253 W HA 0.329 4.989 4.660 -0.000 0.000 0.408 253 W C 1.196 177.689 176.519 -0.043 0.000 1.072 253 W CA -0.598 56.734 57.345 -0.022 0.000 1.953 253 W CB -0.426 28.984 29.460 -0.082 0.000 1.091 253 W HN 0.483 nan 8.180 nan 0.000 0.699 254 Y N 1.881 122.202 120.300 0.036 0.000 2.030 254 Y HA -0.418 4.132 4.550 -0.000 0.000 0.272 254 Y C 2.043 177.893 175.900 -0.083 0.000 1.185 254 Y CA 2.416 60.509 58.100 -0.012 0.000 1.120 254 Y CB -0.375 38.093 38.460 0.014 0.000 0.955 254 Y HN -0.050 nan 8.280 nan 0.000 0.495 255 D N -0.650 119.712 120.400 -0.062 0.000 2.097 255 D HA -0.182 4.458 4.640 -0.000 0.000 0.195 255 D C 2.349 178.493 176.300 -0.260 0.000 0.989 255 D CA 2.028 55.917 54.000 -0.184 0.000 0.827 255 D CB -0.289 40.565 40.800 0.090 0.000 0.966 255 D HN 0.364 nan 8.370 nan 0.000 0.456 256 V N 1.167 121.034 119.914 -0.080 0.000 2.358 256 V HA -0.189 3.931 4.120 -0.000 0.000 0.246 256 V C 2.708 178.636 176.094 -0.278 0.000 1.047 256 V CA 0.920 63.172 62.300 -0.080 0.000 1.035 256 V CB -0.369 31.526 31.823 0.120 0.000 0.658 256 V HN 0.034 nan 8.190 nan 0.000 0.452 257 V N 0.416 120.115 119.914 -0.358 0.000 2.295 257 V HA -0.274 3.846 4.120 -0.000 0.000 0.246 257 V C 2.729 178.415 176.094 -0.680 0.000 1.049 257 V CA 2.127 64.038 62.300 -0.649 0.000 1.024 257 V CB -1.184 30.299 31.823 -0.568 0.000 0.648 257 V HN 0.559 nan 8.190 nan 0.000 0.447 258 A N -0.434 121.955 122.820 -0.718 0.000 1.877 258 A HA -0.262 4.058 4.320 -0.000 0.000 0.216 258 A C 2.178 179.424 177.584 -0.563 0.000 1.186 258 A CA 2.003 53.533 52.037 -0.845 0.000 0.620 258 A CB -0.525 17.321 19.000 -1.924 0.000 0.822 258 A HN 0.627 nan 8.150 nan 0.000 0.443 259 E N -0.553 119.357 120.200 -0.484 0.000 2.077 259 E HA -0.180 4.170 4.350 -0.000 0.000 0.193 259 E C 2.024 178.556 176.600 -0.112 0.000 0.989 259 E CA 1.248 57.531 56.400 -0.195 0.000 0.800 259 E CB -0.081 29.548 29.700 -0.119 0.000 0.746 259 E HN 0.552 nan 8.360 nan 0.000 0.452 260 E N 0.001 120.108 120.200 -0.154 0.000 2.112 260 E HA -0.086 4.264 4.350 -0.000 0.000 0.190 260 E C 1.806 178.469 176.600 0.105 0.000 0.979 260 E CA 0.609 56.975 56.400 -0.057 0.000 0.814 260 E CB -0.111 29.516 29.700 -0.123 0.000 0.762 260 E HN 0.230 nan 8.360 nan 0.000 0.460 261 F N 0.656 120.506 119.950 -0.167 0.000 2.502 261 F HA -0.042 4.485 4.527 -0.000 0.000 0.298 261 F C 2.304 178.032 175.800 -0.121 0.000 1.111 261 F CA -0.263 57.644 58.000 -0.155 0.000 1.445 261 F CB -0.922 37.965 39.000 -0.188 0.000 1.081 261 F HN -0.134 nan 8.300 nan 0.000 0.558 262 V N 0.426 120.382 119.914 0.070 0.000 2.469 262 V HA -0.276 3.844 4.120 -0.000 0.000 0.251 262 V C 2.460 178.563 176.094 0.015 0.000 1.064 262 V CA 1.717 64.038 62.300 0.034 0.000 1.066 262 V CB -0.230 31.619 31.823 0.043 0.000 0.667 262 V HN 0.115 nan 8.190 nan 0.000 0.461 263 K N 0.111 120.523 120.400 0.019 0.000 2.211 263 K HA -0.072 4.247 4.320 -0.000 0.000 0.204 263 K C 2.113 178.701 176.600 -0.020 0.000 1.047 263 K CA 1.490 57.779 56.287 0.003 0.000 0.935 263 K CB -0.622 31.884 32.500 0.009 0.000 0.728 263 K HN 0.598 nan 8.250 nan 0.000 0.452 264 A N 0.569 123.360 122.820 -0.049 0.000 1.930 264 A HA -0.033 4.287 4.320 -0.000 0.000 0.215 264 A C 2.355 179.891 177.584 -0.080 0.000 1.176 264 A CA 1.260 53.242 52.037 -0.091 0.000 0.632 264 A CB -0.324 18.554 19.000 -0.203 0.000 0.819 264 A HN 0.177 nan 8.150 nan 0.000 0.445 265 S N 0.092 115.748 115.700 -0.073 0.000 2.399 265 S HA -0.166 4.304 4.470 -0.000 0.000 0.231 265 S C 1.614 176.194 174.600 -0.033 0.000 1.022 265 S CA 1.451 59.616 58.200 -0.058 0.000 0.983 265 S CB -0.308 62.869 63.200 -0.038 0.000 0.803 265 S HN 0.695 nan 8.310 nan 0.000 0.480 266 E N 0.626 120.813 120.200 -0.021 0.000 2.401 266 E HA -0.109 4.241 4.350 -0.000 0.000 0.199 266 E C 2.008 178.602 176.600 -0.011 0.000 1.023 266 E CA 1.298 57.691 56.400 -0.011 0.000 0.859 266 E CB -0.256 29.441 29.700 -0.005 0.000 0.780 266 E HN 0.709 nan 8.360 nan 0.000 0.523 267 T N -2.963 111.582 114.554 -0.015 0.000 3.035 267 T HA 0.037 4.387 4.350 -0.000 0.000 0.268 267 T C 1.739 176.435 174.700 -0.006 0.000 1.109 267 T CA 0.581 62.676 62.100 -0.007 0.000 1.119 267 T CB -0.015 68.852 68.868 -0.001 0.000 0.900 267 T HN 0.268 nan 8.240 nan 0.000 0.503 268 G N 1.660 110.451 108.800 -0.014 0.000 2.175 268 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.265 268 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.265 268 G C 0.808 175.699 174.900 -0.014 0.000 0.979 268 G CA 0.523 45.616 45.100 -0.013 0.000 0.663 268 G HN 0.547 nan 8.290 nan 0.000 0.533 269 K N -0.615 119.773 120.400 -0.019 0.000 2.402 269 K HA 0.466 4.785 4.320 -0.000 0.000 0.204 269 K C 0.237 176.794 176.600 -0.071 0.000 1.056 269 K CA 0.238 56.515 56.287 -0.017 0.000 1.069 269 K CB 1.619 34.135 32.500 0.026 0.000 0.888 269 K HN 0.373 nan 8.250 nan 0.000 0.546 270 V N 2.576 122.431 119.914 -0.099 0.000 2.686 270 V HA 0.220 4.340 4.120 -0.000 0.000 0.306 270 V C -0.536 175.460 176.094 -0.164 0.000 1.065 270 V CA -1.115 61.079 62.300 -0.177 0.000 0.894 270 V CB 2.297 34.005 31.823 -0.192 0.000 1.004 270 V HN 0.212 nan 8.190 nan 0.000 0.424 271 E N 3.844 123.923 120.200 -0.203 0.000 2.179 271 E HA 0.691 5.041 4.350 -0.000 0.000 0.275 271 E C -1.292 175.127 176.600 -0.301 0.000 0.945 271 E CA -0.771 55.503 56.400 -0.211 0.000 0.792 271 E CB 2.239 31.829 29.700 -0.184 0.000 1.125 271 E HN 0.318 nan 8.360 nan 0.000 0.397 272 V N 3.467 123.232 119.914 -0.249 0.000 2.461 272 V HA 0.193 4.313 4.120 -0.000 0.000 0.275 272 V C -0.232 175.670 176.094 -0.320 0.000 1.047 272 V CA -0.601 61.555 62.300 -0.240 0.000 0.955 272 V CB 1.238 33.013 31.823 -0.081 0.000 0.988 272 V HN 0.567 nan 8.190 nan 0.000 0.471 273 V N 6.885 126.563 119.914 -0.394 0.000 2.444 273 V HA 0.485 4.604 4.120 -0.000 0.000 0.294 273 V C -0.114 175.830 176.094 -0.249 0.000 1.022 273 V CA -0.446 61.552 62.300 -0.504 0.000 0.850 273 V CB 1.619 32.863 31.823 -0.966 0.000 0.992 273 V HN 0.639 nan 8.190 nan 0.000 0.426 274 L N 4.755 125.902 121.223 -0.126 0.000 2.358 274 L HA 0.687 5.027 4.340 -0.000 0.000 0.268 274 L C 0.336 177.192 176.870 -0.023 0.000 1.032 274 L CA -0.843 53.990 54.840 -0.012 0.000 0.805 274 L CB 1.382 43.499 42.059 0.097 0.000 1.253 274 L HN 0.520 nan 8.230 nan 0.000 0.452 275 R N 1.379 121.888 120.500 0.015 0.000 2.629 275 R HA 0.293 4.633 4.340 -0.000 0.000 0.277 275 R C -2.560 173.787 176.300 0.078 0.000 1.637 275 R CA -1.536 54.518 56.100 -0.077 0.000 1.663 275 R CB 0.733 30.910 30.300 -0.206 0.000 1.228 275 R HN 0.323 nan 8.270 nan 0.000 0.632 276 P HA 0.094 nan 4.420 nan 0.000 0.274 276 P C 0.228 177.718 177.300 0.317 0.000 1.256 276 P CA -0.019 63.217 63.100 0.227 0.000 0.795 276 P CB 1.048 32.870 31.700 0.203 0.000 1.038 277 G N -0.675 108.289 108.800 0.273 0.000 3.137 277 G HA2 0.110 4.070 3.960 -0.000 0.000 0.163 277 G HA3 0.110 4.070 3.960 -0.000 0.000 0.163 277 G C -0.431 174.608 174.900 0.232 0.000 1.602 277 G CA -0.245 44.988 45.100 0.222 0.000 1.067 277 G HN 0.674 nan 8.290 nan 0.000 0.568 278 c N 0.050 118.764 118.600 0.190 0.000 2.648 278 c HA 0.382 4.952 4.570 -0.000 0.000 0.419 278 c C 0.737 175.027 174.090 0.334 0.000 1.352 278 c CA -0.370 56.074 56.329 0.191 0.000 1.816 278 c CB -1.158 41.434 42.510 0.136 0.000 2.598 278 c HN 0.486 nan 8.230 nan 0.000 0.598 279 Y N 3.863 124.192 120.300 0.048 0.000 2.458 279 Y HA 0.273 4.822 4.550 -0.000 0.000 0.256 279 Y C 1.553 177.489 175.900 0.060 0.000 1.159 279 Y CA 0.350 58.483 58.100 0.056 0.000 1.261 279 Y CB -0.211 38.290 38.460 0.069 0.000 1.119 279 Y HN 0.619 nan 8.280 nan 0.000 0.524 280 L N -0.866 120.476 121.223 0.198 0.000 2.607 280 L HA 0.107 4.447 4.340 -0.000 0.000 0.228 280 L C 0.854 177.795 176.870 0.119 0.000 1.123 280 L CA -0.059 54.872 54.840 0.153 0.000 0.890 280 L CB -0.811 41.331 42.059 0.138 0.000 1.103 280 L HN -0.002 nan 8.230 nan 0.000 0.468 306 E N 0.713 120.961 120.200 0.080 0.000 2.110 306 E HA 0.113 4.462 4.350 -0.000 0.000 0.193 306 E C 2.361 178.890 176.600 -0.119 0.000 0.988 306 E CA 1.811 58.224 56.400 0.021 0.000 0.804 306 E CB -0.845 28.907 29.700 0.087 0.000 0.745 306 E HN 0.874 nan 8.360 nan 0.000 0.458 307 G N -0.384 108.244 108.800 -0.286 0.000 3.141 307 G HA2 0.368 4.328 3.960 -0.000 0.000 0.218 307 G HA3 0.368 4.328 3.960 -0.000 0.000 0.218 307 G C 0.627 174.940 174.900 -0.978 0.000 1.170 307 G CA -0.322 44.191 45.100 -0.977 0.000 0.769 307 G HN 0.408 nan 8.290 nan 0.000 0.546 308 L N 0.877 121.753 121.223 -0.578 0.000 2.456 308 L HA 0.310 4.650 4.340 -0.000 0.000 0.272 308 L C 0.137 176.890 176.870 -0.196 0.000 1.189 308 L CA -0.123 54.544 54.840 -0.287 0.000 0.846 308 L CB 0.985 42.965 42.059 -0.132 0.000 1.111 308 L HN -0.021 nan 8.230 nan 0.000 0.475 309 L N 4.209 125.360 121.223 -0.120 0.000 2.334 309 L HA 0.488 4.828 4.340 -0.000 0.000 0.273 309 L C -2.169 174.681 176.870 -0.034 0.000 1.013 309 L CA -2.023 52.733 54.840 -0.141 0.000 0.816 309 L CB 1.885 43.788 42.059 -0.261 0.000 1.278 309 L HN 0.379 nan 8.230 nan 0.000 0.431 310 P HA 0.078 nan 4.420 nan 0.000 0.276 310 P C -0.280 177.084 177.300 0.105 0.000 1.264 310 P CA -0.117 63.006 63.100 0.039 0.000 0.769 310 P CB 1.455 33.168 31.700 0.021 0.000 0.840 311 A N 4.176 127.087 122.820 0.152 0.000 2.197 311 A HA 0.172 4.492 4.320 -0.000 0.000 0.210 311 A C 0.591 178.317 177.584 0.238 0.000 1.180 311 A CA 0.383 52.550 52.037 0.218 0.000 0.846 311 A CB -0.129 18.976 19.000 0.175 0.000 0.884 311 A HN 0.506 nan 8.150 nan 0.000 0.487 312 L N 0.203 121.540 121.223 0.190 0.000 2.341 312 L HA 0.548 4.888 4.340 -0.000 0.000 0.278 312 L C -0.824 176.130 176.870 0.140 0.000 1.005 312 L CA -0.170 54.738 54.840 0.115 0.000 0.818 312 L CB 1.816 43.962 42.059 0.144 0.000 1.259 312 L HN 0.316 nan 8.230 nan 0.000 0.418 313 Q N 4.497 124.366 119.800 0.115 0.000 2.423 313 Q HA 0.601 4.940 4.340 -0.000 0.000 0.278 313 Q C -1.540 174.505 176.000 0.075 0.000 1.097 313 Q CA -0.867 55.010 55.803 0.124 0.000 0.809 313 Q CB 2.835 31.683 28.738 0.183 0.000 1.391 313 Q HN 0.584 nan 8.270 nan 0.000 0.428 314 L N 1.255 122.515 121.223 0.061 0.000 2.295 314 L HA 0.472 4.812 4.340 -0.000 0.000 0.285 314 L C -1.112 175.857 176.870 0.167 0.000 1.035 314 L CA -0.548 54.336 54.840 0.073 0.000 0.806 314 L CB 0.672 42.774 42.059 0.071 0.000 1.214 314 L HN 0.481 nan 8.230 nan 0.000 0.426 315 W N 2.673 123.991 121.300 0.029 0.000 2.478 315 W HA 0.711 5.371 4.660 -0.000 0.000 0.318 315 W C -0.070 176.470 176.519 0.035 0.000 1.062 315 W CA -0.181 57.193 57.345 0.048 0.000 1.210 315 W CB 1.889 31.310 29.460 -0.065 0.000 1.325 315 W HN 0.477 nan 8.180 nan 0.000 0.496 316 A N 2.489 125.472 122.820 0.272 0.000 2.556 316 A HA 0.752 5.072 4.320 -0.000 0.000 0.294 316 A C -2.130 175.517 177.584 0.105 0.000 1.091 316 A CA -0.773 51.367 52.037 0.171 0.000 0.704 316 A CB 0.872 20.002 19.000 0.217 0.000 1.300 316 A HN 0.443 nan 8.150 nan 0.000 0.406 317 Y N 0.309 120.721 120.300 0.186 0.000 2.299 317 Y HA 0.390 4.940 4.550 -0.000 0.000 0.326 317 Y C 0.691 176.666 175.900 0.125 0.000 1.164 317 Y CA -0.250 57.938 58.100 0.147 0.000 1.234 317 Y CB 1.355 39.870 38.460 0.093 0.000 1.219 317 Y HN 0.366 nan 8.280 nan 0.000 0.497 318 V N 4.680 124.784 119.914 0.316 0.000 2.446 318 V HA -0.030 4.090 4.120 -0.000 0.000 0.276 318 V C 0.572 176.750 176.094 0.141 0.000 1.030 318 V CA 0.396 62.807 62.300 0.184 0.000 1.033 318 V CB 0.655 32.560 31.823 0.137 0.000 0.993 318 V HN 0.897 nan 8.190 nan 0.000 0.477 319 Q N 2.525 122.381 119.800 0.094 0.000 2.391 319 Q HA 0.208 4.548 4.340 -0.000 0.000 0.211 319 Q C 0.653 176.665 176.000 0.019 0.000 0.908 319 Q CA 0.376 56.211 55.803 0.053 0.000 0.920 319 Q CB 0.981 29.756 28.738 0.061 0.000 1.056 319 Q HN 0.702 nan 8.270 nan 0.000 0.523 320 S N -0.382 115.324 115.700 0.010 0.000 2.556 320 S HA 0.440 4.909 4.470 -0.000 0.000 0.280 320 S C -1.742 172.848 174.600 -0.017 0.000 1.141 320 S CA -0.656 57.538 58.200 -0.009 0.000 0.883 320 S CB 0.910 64.097 63.200 -0.021 0.000 1.103 320 S HN 0.194 nan 8.310 nan 0.000 0.453 321 I N 5.574 126.134 120.570 -0.016 0.000 2.833 321 I HA 0.313 4.483 4.170 -0.000 0.000 0.286 321 I C -1.590 174.521 176.117 -0.011 0.000 1.287 321 I CA -1.664 59.623 61.300 -0.021 0.000 1.046 321 I CB 1.699 39.680 38.000 -0.032 0.000 1.612 321 I HN 0.512 nan 8.210 nan 0.000 0.585 322 P HA 0.006 nan 4.420 nan 0.000 0.223 322 P C 0.124 177.431 177.300 0.010 0.000 1.151 322 P CA 1.120 64.222 63.100 0.004 0.000 0.787 322 P CB 0.618 32.324 31.700 0.009 0.000 0.788 323 E N -1.034 119.177 120.200 0.017 0.000 2.317 323 E HA 0.248 4.598 4.350 -0.000 0.000 0.270 323 E C -2.273 174.328 176.600 0.003 0.000 0.885 323 E CA -2.251 54.158 56.400 0.015 0.000 0.760 323 E CB 1.957 31.676 29.700 0.031 0.000 1.227 323 E HN -0.216 nan 8.360 nan 0.000 0.434 324 P HA -0.168 nan 4.420 nan 0.000 0.221 324 P C 0.377 177.660 177.300 -0.029 0.000 1.145 324 P CA 1.238 64.327 63.100 -0.018 0.000 0.795 324 P CB 0.155 31.846 31.700 -0.014 0.000 0.775 325 D N -2.237 118.153 120.400 -0.017 0.000 2.395 325 D HA 0.026 4.666 4.640 -0.000 0.000 0.213 325 D C 0.474 176.784 176.300 0.017 0.000 1.110 325 D CA -0.085 53.901 54.000 -0.023 0.000 0.835 325 D CB 0.024 40.805 40.800 -0.032 0.000 0.965 325 D HN 0.082 nan 8.370 nan 0.000 0.505 326 R N 0.542 121.071 120.500 0.048 0.000 2.502 326 R HA 0.638 4.978 4.340 -0.000 0.000 0.298 326 R C -1.664 174.676 176.300 0.067 0.000 1.018 326 R CA -0.561 55.627 56.100 0.148 0.000 0.899 326 R CB 1.594 32.028 30.300 0.224 0.000 1.181 326 R HN 0.014 nan 8.270 nan 0.000 0.444 327 A N 5.800 128.643 122.820 0.039 0.000 2.337 327 A HA 0.591 4.911 4.320 -0.000 0.000 0.329 327 A C -0.563 176.993 177.584 -0.045 0.000 1.146 327 A CA -0.825 51.197 52.037 -0.026 0.000 0.800 327 A CB 0.964 19.912 19.000 -0.087 0.000 1.220 327 A HN 0.590 nan 8.150 nan 0.000 0.472 328 I N 3.561 124.085 120.570 -0.077 0.000 2.321 328 I HA 0.321 4.491 4.170 -0.000 0.000 0.291 328 I C -0.512 175.587 176.117 -0.029 0.000 0.998 328 I CA -0.427 60.787 61.300 -0.142 0.000 1.227 328 I CB 0.912 38.796 38.000 -0.192 0.000 1.368 328 I HN 0.341 nan 8.210 nan 0.000 0.466 329 I N 4.497 125.054 120.570 -0.021 0.000 2.460 329 I HA 0.317 4.486 4.170 -0.000 0.000 0.298 329 I C 1.146 177.275 176.117 0.021 0.000 0.989 329 I CA -0.609 60.724 61.300 0.054 0.000 1.173 329 I CB 1.555 39.605 38.000 0.084 0.000 1.338 329 I HN 0.626 nan 8.210 nan 0.000 0.456 330 G N 6.106 114.942 108.800 0.061 0.000 3.213 330 G HA2 0.413 4.372 3.960 -0.000 0.000 0.263 330 G HA3 0.413 4.372 3.960 -0.000 0.000 0.263 330 G C -0.576 174.313 174.900 -0.018 0.000 0.829 330 G CA 0.100 45.199 45.100 -0.001 0.000 1.983 330 G HN 0.403 nan 8.290 nan 0.000 0.616 331 L N 1.128 122.301 121.223 -0.084 0.000 2.526 331 L HA 0.801 5.141 4.340 -0.000 0.000 0.263 331 L C 0.019 176.817 176.870 -0.120 0.000 0.943 331 L CA -0.221 54.562 54.840 -0.096 0.000 0.859 331 L CB 1.912 43.862 42.059 -0.181 0.000 1.313 331 L HN 0.336 nan 8.230 nan 0.000 0.406 332 G N 2.350 111.091 108.800 -0.100 0.000 2.975 332 G HA2 0.339 4.299 3.960 -0.000 0.000 0.291 332 G HA3 0.339 4.299 3.960 -0.000 0.000 0.291 332 G C -0.298 174.563 174.900 -0.066 0.000 1.334 332 G CA -0.474 44.577 45.100 -0.082 0.000 0.843 332 G HN 0.558 nan 8.290 nan 0.000 0.548 333 K N -0.282 120.087 120.400 -0.050 0.000 2.280 333 K HA -0.022 4.297 4.320 -0.000 0.000 0.202 333 K C 2.379 178.933 176.600 -0.077 0.000 1.047 333 K CA 0.597 56.857 56.287 -0.045 0.000 0.942 333 K CB 0.042 32.524 32.500 -0.030 0.000 0.739 333 K HN 0.150 nan 8.250 nan 0.000 0.457 334 R N 0.986 121.421 120.500 -0.108 0.000 2.237 334 R HA -0.088 4.252 4.340 -0.000 0.000 0.219 334 R C 0.589 176.730 176.300 -0.265 0.000 1.080 334 R CA 1.085 57.081 56.100 -0.172 0.000 0.995 334 R CB -0.089 30.105 30.300 -0.177 0.000 0.875 334 R HN 0.368 nan 8.270 nan 0.000 0.462 335 D N -1.244 119.048 120.400 -0.181 0.000 2.454 335 D HA 0.033 4.673 4.640 -0.000 0.000 0.214 335 D C -0.034 176.355 176.300 0.149 0.000 1.088 335 D CA 0.352 54.280 54.000 -0.120 0.000 0.855 335 D CB 0.658 41.498 40.800 0.066 0.000 1.025 335 D HN -0.096 nan 8.370 nan 0.000 0.502 336 S N 0.545 116.281 115.700 0.060 0.000 2.673 336 S HA 0.513 4.983 4.470 -0.000 0.000 0.256 336 S C -0.726 173.902 174.600 0.047 0.000 1.141 336 S CA -0.593 57.666 58.200 0.098 0.000 1.109 336 S CB 0.711 63.940 63.200 0.048 0.000 1.101 336 S HN 0.179 nan 8.310 nan 0.000 0.471 337 A N 3.592 126.448 122.820 0.060 0.000 2.600 337 A HA 0.362 4.682 4.320 -0.000 0.000 0.244 337 A C 1.456 179.069 177.584 0.049 0.000 1.016 337 A CA 1.030 53.092 52.037 0.042 0.000 0.778 337 A CB -0.795 18.240 19.000 0.059 0.000 0.920 337 A HN 1.832 nan 8.150 nan 0.000 0.513 338 F N 1.091 121.060 119.950 0.031 0.000 2.186 338 F HA -0.108 4.419 4.527 -0.000 0.000 0.299 338 F C 1.661 177.496 175.800 0.059 0.000 1.090 338 F CA 1.954 59.977 58.000 0.038 0.000 1.307 338 F CB -0.855 38.159 39.000 0.024 0.000 1.019 338 F HN 0.739 nan 8.300 nan 0.000 0.489 339 D N 0.095 120.525 120.400 0.049 0.000 2.384 339 D HA 0.094 4.733 4.640 -0.000 0.000 0.222 339 D C 2.116 178.484 176.300 0.114 0.000 0.976 339 D CA 1.088 55.117 54.000 0.048 0.000 0.915 339 D CB -0.435 40.371 40.800 0.009 0.000 0.896 339 D HN 0.486 nan 8.370 nan 0.000 0.523 340 A N -0.111 122.805 122.820 0.160 0.000 2.123 340 A HA 0.460 4.780 4.320 -0.000 0.000 0.214 340 A C 1.335 179.079 177.584 0.267 0.000 1.152 340 A CA 1.010 53.200 52.037 0.255 0.000 0.728 340 A CB -0.158 18.946 19.000 0.174 0.000 0.814 340 A HN 0.308 nan 8.150 nan 0.000 0.464 344 E N 1.938 122.315 120.200 0.294 0.000 2.155 344 E HA 0.404 4.754 4.350 -0.000 0.000 0.264 344 E C -2.521 174.196 176.600 0.195 0.000 0.886 344 E CA -1.963 54.579 56.400 0.237 0.000 0.752 344 E CB 1.596 31.361 29.700 0.108 0.000 1.133 344 E HN 0.142 nan 8.360 nan 0.000 0.414 345 P HA -0.062 nan 4.420 nan 0.000 0.262 345 P C -0.448 176.724 177.300 -0.214 0.000 1.199 345 P CA 0.446 63.395 63.100 -0.252 0.000 0.763 345 P CB 1.054 32.744 31.700 -0.018 0.000 0.790 346 A N 4.786 127.418 122.820 -0.314 0.000 2.026 346 A HA 0.221 4.540 4.320 -0.000 0.000 0.198 346 A C 0.657 178.085 177.584 -0.260 0.000 1.390 346 A CA 0.509 52.405 52.037 -0.234 0.000 0.915 346 A CB 0.399 19.293 19.000 -0.176 0.000 0.974 346 A HN 0.423 nan 8.150 nan 0.000 0.477 347 R N -0.462 119.832 120.500 -0.342 0.000 2.771 347 R HA 0.511 4.851 4.340 -0.000 0.000 0.274 347 R C -1.353 174.828 176.300 -0.198 0.000 0.987 347 R CA -0.636 55.307 56.100 -0.263 0.000 0.908 347 R CB 1.733 31.865 30.300 -0.280 0.000 1.213 347 R HN 0.496 nan 8.270 nan 0.000 0.468 348 H N 1.735 120.718 119.070 -0.144 0.000 2.679 348 H HA 0.331 4.887 4.556 -0.000 0.000 0.360 348 H C -1.833 173.574 175.328 0.131 0.000 1.105 348 H CA -0.565 55.479 56.048 -0.007 0.000 1.196 348 H CB 1.953 31.712 29.762 -0.006 0.000 1.636 348 H HN 0.661 nan 8.280 nan 0.000 0.531 349 Y N 4.746 124.753 120.300 -0.489 0.000 2.433 349 Y HA 0.312 4.862 4.550 -0.000 0.000 0.337 349 Y C -1.292 174.389 175.900 -0.364 0.000 1.026 349 Y CA -0.938 56.964 58.100 -0.331 0.000 1.037 349 Y CB 1.215 39.650 38.460 -0.041 0.000 1.245 349 Y HN 0.694 nan 8.280 nan 0.000 0.443 350 R N 7.472 127.354 120.500 -1.030 0.000 2.255 350 R HA 0.524 4.864 4.340 -0.000 0.000 0.326 350 R C -2.799 172.893 176.300 -1.014 0.000 0.986 350 R CA -2.000 53.665 56.100 -0.725 0.000 0.847 350 R CB 0.964 31.045 30.300 -0.366 0.000 1.111 350 R HN 0.425 nan 8.270 nan 0.000 0.452 351 P HA -0.028 nan 4.420 nan 0.000 0.263 351 P C 0.311 177.505 177.300 -0.177 0.000 1.175 351 P CA 1.389 64.356 63.100 -0.222 0.000 0.761 351 P CB 0.792 32.507 31.700 0.023 0.000 0.794 352 G N 1.586 110.366 108.800 -0.033 0.000 2.258 352 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.233 352 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.233 352 G C 0.450 175.352 174.900 0.004 0.000 1.006 352 G CA -0.344 44.754 45.100 -0.004 0.000 0.620 352 G HN 0.525 nan 8.290 nan 0.000 0.511 353 N N 0.369 119.022 118.700 -0.079 0.000 2.424 353 N HA 0.443 5.183 4.740 -0.000 0.000 0.257 353 N C 1.062 176.707 175.510 0.225 0.000 1.250 353 N CA 0.333 53.394 53.050 0.017 0.000 0.946 353 N CB 1.027 39.449 38.487 -0.108 0.000 1.175 353 N HN 0.103 nan 8.380 nan 0.000 0.477 354 E N -0.307 119.986 120.200 0.155 0.000 2.107 354 E HA 0.189 4.539 4.350 -0.000 0.000 0.191 354 E C 0.013 176.702 176.600 0.148 0.000 0.982 354 E CA 0.996 57.475 56.400 0.130 0.000 0.809 354 E CB 0.023 29.772 29.700 0.081 0.000 0.756 354 E HN 0.664 nan 8.360 nan 0.000 0.459 355 A N -0.542 122.397 122.820 0.197 0.000 2.606 355 A HA 0.696 5.016 4.320 -0.000 0.000 0.293 355 A C -2.860 174.864 177.584 0.234 0.000 1.082 355 A CA -1.554 50.560 52.037 0.130 0.000 0.685 355 A CB 1.388 20.451 19.000 0.105 0.000 1.284 355 A HN 0.148 nan 8.150 nan 0.000 0.408 356 P HA 0.505 nan 4.420 nan 0.000 0.275 356 P C -0.733 176.635 177.300 0.113 0.000 1.266 356 P CA -0.379 62.833 63.100 0.187 0.000 0.793 356 P CB 0.447 32.235 31.700 0.147 0.000 1.074 357 R N -0.437 120.111 120.500 0.081 0.000 2.803 357 R HA 0.521 4.860 4.340 -0.000 0.000 0.276 357 R C -1.101 175.186 176.300 -0.022 0.000 0.978 357 R CA -0.872 55.248 56.100 0.033 0.000 0.939 357 R CB 1.006 31.332 30.300 0.043 0.000 1.179 357 R HN 0.232 nan 8.270 nan 0.000 0.472 358 D N 2.302 122.665 120.400 -0.061 0.000 2.302 358 D HA 0.236 4.876 4.640 -0.000 0.000 0.248 358 D C 0.067 176.255 176.300 -0.186 0.000 1.094 358 D CA -0.047 53.885 54.000 -0.114 0.000 0.897 358 D CB 1.342 42.082 40.800 -0.100 0.000 1.200 358 D HN 0.398 nan 8.370 nan 0.000 0.429 359 I N 1.674 122.089 120.570 -0.258 0.000 2.325 359 I HA 0.250 4.419 4.170 -0.000 0.000 0.291 359 I C 0.677 176.615 176.117 -0.298 0.000 1.019 359 I CA -0.623 60.435 61.300 -0.404 0.000 1.302 359 I CB 1.163 38.843 38.000 -0.534 0.000 1.401 359 I HN 0.250 nan 8.210 nan 0.000 0.485 360 A N 4.826 127.474 122.820 -0.287 0.000 2.354 360 A HA 0.562 4.882 4.320 -0.000 0.000 0.269 360 A C 1.314 178.794 177.584 -0.172 0.000 1.109 360 A CA 0.101 52.025 52.037 -0.188 0.000 0.800 360 A CB 0.825 19.734 19.000 -0.151 0.000 1.045 360 A HN 0.945 nan 8.150 nan 0.000 0.489 361 A N 2.020 124.775 122.820 -0.108 0.000 1.927 361 A HA -0.180 4.140 4.320 -0.000 0.000 0.220 361 A C 2.415 179.970 177.584 -0.048 0.000 1.185 361 A CA 2.711 54.710 52.037 -0.064 0.000 0.639 361 A CB -1.251 17.726 19.000 -0.040 0.000 0.820 361 A HN 1.843 nan 8.150 nan 0.000 0.451 362 S N -0.035 115.632 115.700 -0.055 0.000 2.440 362 S HA -0.219 4.251 4.470 -0.000 0.000 0.240 362 S C 1.437 176.022 174.600 -0.026 0.000 1.014 362 S CA 1.504 59.683 58.200 -0.035 0.000 0.980 362 S CB -0.578 62.599 63.200 -0.039 0.000 0.775 362 S HN 0.715 nan 8.310 nan 0.000 0.499 363 E N 1.085 121.241 120.200 -0.073 0.000 2.274 363 E HA 0.139 4.489 4.350 -0.000 0.000 0.194 363 E C 1.346 178.037 176.600 0.151 0.000 0.996 363 E CA 0.211 56.586 56.400 -0.042 0.000 0.840 363 E CB -0.578 28.916 29.700 -0.343 0.000 0.772 363 E HN 0.755 nan 8.360 nan 0.000 0.491 364 G N 1.512 110.387 108.800 0.124 0.000 2.221 364 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.265 364 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.265 364 G C -0.662 174.440 174.900 0.336 0.000 1.041 364 G CA -0.045 45.165 45.100 0.184 0.000 0.807 364 G HN 0.105 nan 8.290 nan 0.000 0.502 365 W N 0.421 121.729 121.300 0.014 0.000 2.345 365 W HA 0.657 5.317 4.660 -0.000 0.000 0.308 365 W C 0.620 177.185 176.519 0.077 0.000 1.273 365 W CA -0.996 56.371 57.345 0.037 0.000 1.243 365 W CB 0.648 30.104 29.460 -0.007 0.000 1.260 365 W HN 0.353 nan 8.180 nan 0.000 0.509 366 E N 3.021 123.405 120.200 0.308 0.000 2.304 366 E HA 0.267 4.617 4.350 -0.000 0.000 0.277 366 E C -1.131 175.652 176.600 0.306 0.000 0.898 366 E CA -0.676 55.886 56.400 0.270 0.000 0.764 366 E CB 1.574 31.404 29.700 0.215 0.000 1.216 366 E HN 0.106 nan 8.360 nan 0.000 0.419 367 I N 6.184 126.910 120.570 0.261 0.000 2.452 367 I HA 0.070 4.240 4.170 -0.000 0.000 0.287 367 I C 0.586 176.825 176.117 0.203 0.000 1.079 367 I CA 0.227 61.636 61.300 0.181 0.000 1.387 367 I CB -0.273 37.788 38.000 0.102 0.000 1.404 367 I HN 0.580 nan 8.210 nan 0.000 0.522 368 F N 3.281 123.293 119.950 0.103 0.000 2.661 368 F HA 0.689 5.216 4.527 -0.000 0.000 0.306 368 F C 0.586 176.406 175.800 0.033 0.000 1.094 368 F CA -0.649 57.384 58.000 0.055 0.000 1.254 368 F CB 0.176 39.192 39.000 0.026 0.000 1.040 368 F HN 0.335 nan 8.300 nan 0.000 0.562 369 G N 1.220 109.876 108.800 -0.240 0.000 2.761 369 G HA2 0.527 4.487 3.960 -0.000 0.000 0.296 369 G HA3 0.527 4.487 3.960 -0.000 0.000 0.296 369 G C -2.529 172.373 174.900 0.003 0.000 1.416 369 G CA -0.620 44.398 45.100 -0.138 0.000 1.105 369 G HN 0.183 nan 8.290 nan 0.000 0.565 373 Q N -0.087 119.682 119.800 -0.052 0.000 2.140 373 Q HA 0.233 4.573 4.340 -0.000 0.000 0.227 373 Q C -0.550 175.217 176.000 -0.390 0.000 0.798 373 Q CA 0.314 55.984 55.803 -0.221 0.000 0.987 373 Q CB 1.764 30.324 28.738 -0.297 0.000 1.161 373 Q HN 0.385 nan 8.270 nan 0.000 0.480 374 H N -0.230 118.785 119.070 -0.092 0.000 2.821 374 H HA 0.730 5.286 4.556 -0.000 0.000 0.373 374 H C -1.035 174.193 175.328 -0.166 0.000 1.165 374 H CA -0.614 55.345 56.048 -0.148 0.000 1.154 374 H CB 1.956 31.584 29.762 -0.225 0.000 1.765 374 H HN 0.104 nan 8.280 nan 0.000 0.549 375 A N 1.372 124.144 122.820 -0.080 0.000 2.386 375 A HA 0.589 4.909 4.320 -0.000 0.000 0.311 375 A C -1.703 175.740 177.584 -0.235 0.000 1.068 375 A CA -0.674 51.290 52.037 -0.122 0.000 0.743 375 A CB 0.719 19.628 19.000 -0.152 0.000 1.258 375 A HN 0.612 nan 8.150 nan 0.000 0.429 376 Y N 1.031 121.136 120.300 -0.325 0.000 2.341 376 Y HA 0.493 5.043 4.550 -0.000 0.000 0.340 376 Y C -0.058 175.551 175.900 -0.484 0.000 0.997 376 Y CA -0.238 57.538 58.100 -0.539 0.000 1.149 376 Y CB 1.550 39.309 38.460 -1.168 0.000 1.171 376 Y HN 0.579 nan 8.280 nan 0.000 0.494 377 L N 5.128 126.346 121.223 -0.008 0.000 2.287 377 L HA 0.494 4.834 4.340 -0.000 0.000 0.287 377 L C -0.261 176.798 176.870 0.315 0.000 1.022 377 L CA -0.649 54.280 54.840 0.149 0.000 0.814 377 L CB 0.841 42.948 42.059 0.081 0.000 1.217 377 L HN 0.565 nan 8.230 nan 0.000 0.420 378 R N 6.105 126.885 120.500 0.467 0.000 2.389 378 R HA 0.565 4.904 4.340 -0.000 0.000 0.295 378 R C -0.837 175.480 176.300 0.029 0.000 1.075 378 R CA -0.256 55.995 56.100 0.251 0.000 1.005 378 R CB 0.377 30.761 30.300 0.140 0.000 0.987 378 R HN 0.812 nan 8.270 nan 0.000 0.452 379 I N 1.456 121.973 120.570 -0.089 0.000 2.828 379 I HA 0.598 4.768 4.170 -0.000 0.000 0.302 379 I C -2.557 173.514 176.117 -0.077 0.000 1.101 379 I CA -3.208 57.947 61.300 -0.242 0.000 1.031 379 I CB 2.474 40.154 38.000 -0.533 0.000 1.231 379 I HN 0.464 nan 8.210 nan 0.000 0.427 380 P HA 0.126 nan 4.420 nan 0.000 0.271 380 P C -0.187 177.112 177.300 -0.001 0.000 1.216 380 P CA 0.019 63.136 63.100 0.028 0.000 0.771 380 P CB 0.895 32.649 31.700 0.090 0.000 0.864 381 A N 2.785 125.601 122.820 -0.006 0.000 2.531 381 A HA 0.401 4.721 4.320 -0.000 0.000 0.236 381 A C 1.557 179.142 177.584 0.002 0.000 1.062 381 A CA 0.722 52.752 52.037 -0.011 0.000 0.760 381 A CB -1.301 17.694 19.000 -0.009 0.000 0.995 381 A HN 0.906 nan 8.150 nan 0.000 0.501 382 G N 0.430 109.228 108.800 -0.003 0.000 2.184 382 G HA2 0.122 4.081 3.960 -0.000 0.000 0.264 382 G HA3 0.122 4.081 3.960 -0.000 0.000 0.264 382 G C 0.690 175.604 174.900 0.023 0.000 0.975 382 G CA 0.613 45.718 45.100 0.008 0.000 0.642 382 G HN 2.299 nan 8.290 nan 0.000 0.536 383 A N 0.070 122.904 122.820 0.023 0.000 2.555 383 A HA 0.404 4.724 4.320 -0.000 0.000 0.233 383 A C 0.610 178.222 177.584 0.047 0.000 1.060 383 A CA 0.934 53.015 52.037 0.073 0.000 0.759 383 A CB 0.229 19.254 19.000 0.041 0.000 0.995 383 A HN 0.553 nan 8.150 nan 0.000 0.506 384 D N 1.150 121.608 120.400 0.096 0.000 2.508 384 D HA 0.392 5.032 4.640 -0.000 0.000 0.224 384 D C -1.052 175.285 176.300 0.061 0.000 1.171 384 D CA 0.288 54.333 54.000 0.074 0.000 1.006 384 D CB -0.416 40.434 40.800 0.084 0.000 1.073 384 D HN 0.279 nan 8.370 nan 0.000 0.513 385 L N 2.763 123.994 121.223 0.014 0.000 2.455 385 L HA 0.516 4.856 4.340 -0.000 0.000 0.264 385 L C -1.161 175.726 176.870 0.028 0.000 0.968 385 L CA -0.514 54.326 54.840 0.000 0.000 0.827 385 L CB 1.832 43.760 42.059 -0.218 0.000 1.317 385 L HN 0.041 nan 8.230 nan 0.000 0.407 386 K N 3.033 123.484 120.400 0.085 0.000 2.375 386 K HA 0.616 4.936 4.320 -0.000 0.000 0.249 386 K C -1.147 175.490 176.600 0.061 0.000 0.942 386 K CA -1.066 55.253 56.287 0.054 0.000 0.806 386 K CB 2.484 35.017 32.500 0.054 0.000 1.227 386 K HN 0.367 nan 8.250 nan 0.000 0.430 387 V N 1.954 121.888 119.914 0.033 0.000 2.681 387 V HA -0.052 4.068 4.120 -0.000 0.000 0.306 387 V C 1.426 177.541 176.094 0.035 0.000 1.077 387 V CA 2.069 64.387 62.300 0.030 0.000 1.224 387 V CB 0.180 32.003 31.823 0.001 0.000 0.879 387 V HN 1.183 nan 8.190 nan 0.000 0.494 388 G N 3.267 112.100 108.800 0.055 0.000 2.217 388 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.246 388 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.246 388 G C 0.055 175.096 174.900 0.235 0.000 0.990 388 G CA 0.163 45.289 45.100 0.044 0.000 0.627 388 G HN 0.691 nan 8.290 nan 0.000 0.522 392 A N 5.826 128.064 122.820 -0.969 0.000 2.274 392 A HA 0.861 5.181 4.320 -0.000 0.000 0.309 392 A C -1.215 175.909 177.584 -0.766 0.000 1.226 392 A CA -0.041 51.258 52.037 -1.229 0.000 0.853 392 A CB 0.148 18.078 19.000 -1.783 0.000 1.146 392 A HN 0.440 nan 8.150 nan 0.000 0.518 393 F N 1.445 121.207 119.950 -0.313 0.000 2.458 393 F HA 0.318 4.845 4.527 -0.000 0.000 0.336 393 F C 0.257 176.002 175.800 -0.091 0.000 1.114 393 F CA -0.580 57.338 58.000 -0.136 0.000 0.987 393 F CB 1.629 40.593 39.000 -0.061 0.000 1.130 393 F HN 0.491 nan 8.300 nan 0.000 0.458 394 D N 3.449 123.910 120.400 0.101 0.000 2.341 394 D HA 0.424 5.064 4.640 -0.000 0.000 0.245 394 D C -0.160 176.201 176.300 0.102 0.000 1.106 394 D CA 0.165 54.213 54.000 0.080 0.000 0.905 394 D CB 1.563 42.381 40.800 0.030 0.000 1.202 394 D HN 0.466 nan 8.370 nan 0.000 0.426 395 I N -2.168 118.448 120.570 0.076 0.000 2.608 395 I HA 0.294 4.464 4.170 -0.000 0.000 0.295 395 I C 1.139 177.253 176.117 -0.005 0.000 1.049 395 I CA -0.769 60.563 61.300 0.054 0.000 1.063 395 I CB 2.106 40.156 38.000 0.083 0.000 1.248 395 I HN 0.123 nan 8.210 nan 0.000 0.424 396 S N 2.208 117.851 115.700 -0.095 0.000 2.368 396 S HA -0.072 4.398 4.470 -0.000 0.000 0.224 396 S C 0.713 175.057 174.600 -0.427 0.000 1.029 396 S CA 0.902 58.917 58.200 -0.308 0.000 0.988 396 S CB -0.599 62.320 63.200 -0.468 0.000 0.838 396 S HN 0.760 nan 8.310 nan 0.000 0.462 397 H N 1.740 120.853 119.070 0.072 0.000 2.439 397 H HA 0.321 4.877 4.556 -0.000 0.000 0.239 397 H C -2.099 173.291 175.328 0.104 0.000 1.432 397 H CA -2.058 54.036 56.048 0.077 0.000 1.373 397 H CB 0.498 30.299 29.762 0.065 0.000 1.463 397 H HN 0.294 nan 8.280 nan 0.000 0.530 398 P HA -0.163 nan 4.420 nan 0.000 0.215 398 P C 1.394 178.863 177.300 0.281 0.000 1.157 398 P CA 1.051 64.275 63.100 0.206 0.000 0.874 398 P CB 0.197 32.008 31.700 0.185 0.000 0.790 399 c N -0.761 117.967 118.600 0.214 0.000 2.422 399 c HA -0.067 4.503 4.570 -0.000 0.000 0.279 399 c C 2.981 177.212 174.090 0.235 0.000 1.305 399 c CA 0.464 56.892 56.329 0.165 0.000 1.757 399 c CB -1.916 40.623 42.510 0.049 0.000 1.962 399 c HN 0.200 nan 8.230 nan 0.000 0.499 400 L N -0.079 121.262 121.223 0.198 0.000 2.191 400 L HA -0.161 4.178 4.340 -0.000 0.000 0.212 400 L C 2.717 179.683 176.870 0.159 0.000 1.103 400 L CA 1.604 56.533 54.840 0.149 0.000 0.769 400 L CB -1.005 41.122 42.059 0.114 0.000 0.908 400 L HN 0.363 nan 8.230 nan 0.000 0.438 401 T N -0.806 113.889 114.554 0.236 0.000 2.962 401 T HA -0.143 4.206 4.350 -0.000 0.000 0.270 401 T C 1.555 176.460 174.700 0.342 0.000 1.088 401 T CA 0.802 63.057 62.100 0.258 0.000 1.127 401 T CB -0.171 68.863 68.868 0.277 0.000 0.883 401 T HN 0.123 nan 8.240 nan 0.000 0.493 402 F N 2.475 122.529 119.950 0.172 0.000 2.216 402 F HA -0.064 4.463 4.527 -0.000 0.000 0.300 402 F C 2.158 178.024 175.800 0.110 0.000 1.085 402 F CA 1.361 59.521 58.000 0.267 0.000 1.326 402 F CB -0.195 39.015 39.000 0.350 0.000 1.027 402 F HN 0.341 nan 8.300 nan 0.000 0.497 403 D N -0.595 119.655 120.400 -0.249 0.000 2.378 403 D HA -0.129 4.511 4.640 -0.000 0.000 0.227 403 D C 1.250 177.344 176.300 -0.343 0.000 1.012 403 D CA 0.676 54.124 54.000 -0.920 0.000 0.905 403 D CB -0.366 39.617 40.800 -1.363 0.000 0.895 403 D HN 0.156 nan 8.370 nan 0.000 0.532 404 K N -0.369 119.919 120.400 -0.186 0.000 2.444 404 K HA 0.066 4.386 4.320 -0.000 0.000 0.193 404 K C -0.359 175.789 176.600 -0.753 0.000 1.024 404 K CA -0.010 56.041 56.287 -0.393 0.000 1.077 404 K CB 0.026 32.291 32.500 -0.391 0.000 0.833 404 K HN 0.257 nan 8.250 nan 0.000 0.517 405 W N 0.906 122.171 121.300 -0.058 0.000 2.554 405 W HA 0.373 5.033 4.660 0.000 0.000 0.324 405 W C 0.987 177.516 176.519 0.016 0.000 1.018 405 W CA -0.810 56.496 57.345 -0.066 0.000 1.243 405 W CB 1.075 30.420 29.460 -0.192 0.000 1.345 405 W HN -0.183 nan 8.180 nan 0.000 0.441 406 R N 0.984 121.578 120.500 0.156 0.000 2.153 406 R HA 0.039 4.379 4.340 -0.000 0.000 0.218 406 R C 0.155 176.520 176.300 0.108 0.000 1.072 406 R CA 0.719 56.891 56.100 0.119 0.000 0.990 406 R CB 0.268 30.595 30.300 0.046 0.000 0.889 406 R HN 0.346 nan 8.270 nan 0.000 0.452 407 Q N 0.718 120.615 119.800 0.162 0.000 2.274 407 Q HA 0.355 4.694 4.340 -0.000 0.000 0.268 407 Q C -1.285 174.773 176.000 0.096 0.000 1.015 407 Q CA -0.444 55.429 55.803 0.117 0.000 0.775 407 Q CB 2.938 31.748 28.738 0.121 0.000 1.256 407 Q HN -0.111 nan 8.270 nan 0.000 0.442 408 V N 3.557 123.459 119.914 -0.020 0.000 2.513 408 V HA 0.485 4.605 4.120 -0.000 0.000 0.299 408 V C 0.116 176.152 176.094 -0.096 0.000 1.035 408 V CA -0.751 61.442 62.300 -0.179 0.000 0.889 408 V CB 1.826 33.452 31.823 -0.328 0.000 0.988 408 V HN 0.600 nan 8.190 nan 0.000 0.440 409 L N 4.351 125.493 121.223 -0.136 0.000 2.375 409 L HA 0.600 4.940 4.340 -0.000 0.000 0.271 409 L C -0.491 176.316 176.870 -0.105 0.000 1.107 409 L CA -0.660 54.138 54.840 -0.071 0.000 0.806 409 L CB 1.482 43.497 42.059 -0.073 0.000 1.146 409 L HN 0.329 nan 8.230 nan 0.000 0.447 410 V N 3.039 122.916 119.914 -0.062 0.000 2.417 410 V HA 0.478 4.598 4.120 -0.000 0.000 0.291 410 V C -0.080 175.970 176.094 -0.072 0.000 1.024 410 V CA -0.674 61.583 62.300 -0.071 0.000 0.861 410 V CB 1.896 33.703 31.823 -0.026 0.000 0.985 410 V HN 0.545 nan 8.190 nan 0.000 0.436 411 V N 1.311 121.163 119.914 -0.103 0.000 2.769 411 V HA 0.795 4.915 4.120 -0.000 0.000 0.312 411 V C -0.385 175.678 176.094 -0.052 0.000 1.061 411 V CA -0.793 61.459 62.300 -0.081 0.000 0.931 411 V CB 1.967 33.724 31.823 -0.110 0.000 1.010 411 V HN 0.865 nan 8.190 nan 0.000 0.433 412 D N 3.555 123.921 120.400 -0.057 0.000 2.398 412 D HA 0.384 5.024 4.640 -0.000 0.000 0.247 412 D C -1.989 174.231 176.300 -0.132 0.000 1.227 412 D CA -2.050 51.915 54.000 -0.059 0.000 0.980 412 D CB 0.484 41.259 40.800 -0.041 0.000 1.106 412 D HN 0.346 nan 8.370 nan 0.000 0.493 413 P HA 0.009 nan 4.420 nan 0.000 0.223 413 P C 0.641 177.801 177.300 -0.232 0.000 1.144 413 P CA 1.708 64.686 63.100 -0.205 0.000 0.783 413 P CB 0.005 31.640 31.700 -0.108 0.000 0.771 414 A N -2.191 120.564 122.820 -0.108 0.000 2.278 414 A HA 0.095 4.414 4.320 -0.000 0.000 0.212 414 A C -0.000 177.657 177.584 0.121 0.000 1.213 414 A CA -0.247 51.803 52.037 0.021 0.000 0.840 414 A CB -1.207 17.808 19.000 0.025 0.000 0.866 414 A HN 0.129 nan 8.150 nan 0.000 0.489 415 Y N -2.262 118.008 120.300 -0.050 0.000 4.490 415 Y HA -0.238 4.312 4.550 -0.000 0.000 0.233 415 Y C 0.691 176.527 175.900 -0.107 0.000 1.101 415 Y CA 0.811 58.844 58.100 -0.112 0.000 2.010 415 Y CB -2.030 36.292 38.460 -0.230 0.000 1.622 415 Y HN 0.573 nan 8.280 nan 0.000 0.675 416 R N 1.012 121.529 120.500 0.028 0.000 2.340 416 R HA 0.580 4.920 4.340 -0.000 0.000 0.300 416 R C -0.532 175.770 176.300 0.004 0.000 1.069 416 R CA -0.399 55.714 56.100 0.020 0.000 0.984 416 R CB 0.714 31.018 30.300 0.006 0.000 1.003 416 R HN 0.041 nan 8.270 nan 0.000 0.459 417 V N 5.318 125.254 119.914 0.037 0.000 2.479 417 V HA 0.069 4.189 4.120 -0.000 0.000 0.281 417 V C 1.200 177.266 176.094 -0.046 0.000 1.031 417 V CA 0.651 62.967 62.300 0.026 0.000 1.038 417 V CB 0.844 32.766 31.823 0.164 0.000 0.981 417 V HN 1.121 nan 8.190 nan 0.000 0.478 418 T N 0.896 115.420 114.554 -0.050 0.000 3.015 418 T HA 0.268 4.618 4.350 -0.000 0.000 0.250 418 T C 0.374 175.030 174.700 -0.073 0.000 1.057 418 T CA 0.069 62.131 62.100 -0.063 0.000 1.066 418 T CB 0.556 69.400 68.868 -0.040 0.000 0.959 418 T HN 0.631 nan 8.240 nan 0.000 0.488 419 E N -0.080 120.084 120.200 -0.059 0.000 2.390 419 E HA 0.540 4.889 4.350 -0.000 0.000 0.280 419 E C -2.087 174.498 176.600 -0.026 0.000 0.992 419 E CA -0.781 55.590 56.400 -0.049 0.000 0.790 419 E CB 2.674 32.360 29.700 -0.024 0.000 1.248 419 E HN 0.021 nan 8.360 nan 0.000 0.447 420 V N 3.890 123.794 119.914 -0.017 0.000 2.513 420 V HA 0.482 4.602 4.120 -0.000 0.000 0.299 420 V C -0.098 176.011 176.094 0.024 0.000 1.035 420 V CA -0.583 61.731 62.300 0.024 0.000 0.889 420 V CB 1.516 33.373 31.823 0.057 0.000 0.988 420 V HN 0.559 nan 8.190 nan 0.000 0.440 421 I N 4.372 124.962 120.570 0.034 0.000 2.339 421 I HA 0.369 4.539 4.170 -0.000 0.000 0.290 421 I C 0.361 176.511 176.117 0.056 0.000 0.994 421 I CA -0.342 60.990 61.300 0.053 0.000 1.191 421 I CB 1.481 39.536 38.000 0.091 0.000 1.343 421 I HN 0.786 nan 8.210 nan 0.000 0.458 422 E N 4.784 125.010 120.200 0.043 0.000 2.277 422 E HA 0.497 4.846 4.350 -0.000 0.000 0.274 422 E C -0.706 175.898 176.600 0.007 0.000 1.022 422 E CA -0.731 55.663 56.400 -0.009 0.000 0.853 422 E CB 1.465 31.113 29.700 -0.088 0.000 1.086 422 E HN 0.555 nan 8.360 nan 0.000 0.397 423 T N -0.396 114.136 114.554 -0.037 0.000 2.918 423 T HA 0.509 4.858 4.350 -0.000 0.000 0.286 423 T C -0.591 173.970 174.700 -0.232 0.000 1.026 423 T CA -0.872 61.235 62.100 0.011 0.000 1.031 423 T CB 0.555 69.591 68.868 0.280 0.000 1.046 423 T HN 0.408 nan 8.240 nan 0.000 0.479 424 F N 1.901 121.714 119.950 -0.228 0.000 2.389 424 F HA 0.509 5.036 4.527 -0.000 0.000 0.327 424 F C -0.551 175.153 175.800 -0.159 0.000 1.204 424 F CA -1.286 56.647 58.000 -0.112 0.000 1.209 424 F CB -0.094 38.846 39.000 -0.101 0.000 1.460 424 F HN 0.477 nan 8.300 nan 0.000 0.537 425 F N 0.000 120.135 119.950 0.308 0.000 2.286 425 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 425 F CA 0.000 58.165 58.000 0.276 0.000 1.383 425 F CB 0.000 39.106 39.000 0.177 0.000 1.145 425 F HN 0.000 nan 8.300 nan 0.000 0.574