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 1oy0_1_E DATA FIRST_RESID 18 DATA SEQUENCE RTKIRTHHLQ RWKADGHKWA MLTAYDYSTA RIFDEAGIPV LLVGDSAANV DATA SEQUENCE VYGYDTTVPI SIDELIPLVR GVVRGAPHAL VVADLPFGSY EAGPTAALAA DATA SEQUENCE ATRFLKDGGA HAVKLEGGER VAEQIACLTA AGIPVMAHIG FTPXXXXXXX DATA SEQUENCE XXXXXXXGDA AEQTIADAIA VAEAGAFAVV MEMVPAELAT QITGKLTIPT DATA SEQUENCE VGIGAGPNCD GQVLVWQDMA GFSGAKTARF VKRYADVGGE LRRAAMQYAQ DATA SEQUENCE EVAGGVFPAD EH 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 18 R HA 0.000 nan 4.340 nan 0.000 0.208 18 R C 0.000 176.399 176.300 0.165 0.000 0.893 18 R CA 0.000 56.147 56.100 0.078 0.000 0.921 18 R CB 0.000 30.274 30.300 -0.043 0.000 0.687 19 T N 2.119 116.745 114.554 0.120 0.000 2.856 19 T HA 0.325 4.675 4.350 -0.000 0.000 0.292 19 T C -0.372 174.434 174.700 0.177 0.000 0.980 19 T CA -0.426 61.748 62.100 0.124 0.000 1.091 19 T CB 0.808 69.706 68.868 0.051 0.000 0.936 19 T HN 0.187 nan 8.240 nan 0.000 0.503 20 K N 3.319 123.797 120.400 0.130 0.000 2.262 20 K HA 0.280 4.600 4.320 -0.000 0.000 0.282 20 K C 0.123 176.757 176.600 0.058 0.000 1.066 20 K CA -0.754 55.571 56.287 0.063 0.000 0.901 20 K CB 0.641 33.109 32.500 -0.053 0.000 1.089 20 K HN 0.422 nan 8.250 nan 0.000 0.476 21 I N 4.170 124.777 120.570 0.062 0.000 2.752 21 I HA -0.051 4.119 4.170 -0.000 0.000 0.289 21 I C 0.874 176.831 176.117 -0.267 0.000 1.197 21 I CA 0.729 62.056 61.300 0.045 0.000 1.432 21 I CB -0.316 37.689 38.000 0.007 0.000 1.359 21 I HN 0.469 nan 8.210 nan 0.000 0.571 22 R N 3.558 123.679 120.500 -0.632 0.000 2.888 22 R HA 0.365 4.705 4.340 -0.000 0.000 0.266 22 R C 1.243 177.102 176.300 -0.735 0.000 1.020 22 R CA -0.378 55.321 56.100 -0.669 0.000 0.963 22 R CB 0.875 30.817 30.300 -0.597 0.000 1.197 22 R HN 0.715 nan 8.270 nan 0.000 0.481 23 T N -1.302 112.900 114.554 -0.587 0.000 2.720 23 T HA -0.215 4.135 4.350 -0.000 0.000 0.268 23 T C 1.665 176.087 174.700 -0.464 0.000 1.037 23 T CA 1.874 63.598 62.100 -0.626 0.000 1.144 23 T CB -0.524 67.875 68.868 -0.782 0.000 0.864 23 T HN 0.741 nan 8.240 nan 0.000 0.444 24 H N 1.164 119.968 119.070 -0.444 0.000 2.457 24 H HA -0.121 4.435 4.556 -0.000 0.000 0.297 24 H C 1.926 177.050 175.328 -0.339 0.000 1.092 24 H CA 1.781 57.636 56.048 -0.322 0.000 1.309 24 H CB -1.167 28.430 29.762 -0.275 0.000 1.382 24 H HN 0.652 nan 8.280 nan 0.000 0.535 25 H N 0.915 119.289 119.070 -1.161 0.000 2.352 25 H HA -0.040 4.516 4.556 -0.000 0.000 0.299 25 H C 2.616 177.149 175.328 -1.324 0.000 1.097 25 H CA 1.138 56.396 56.048 -1.317 0.000 1.311 25 H CB 0.266 29.144 29.762 -1.474 0.000 1.377 25 H HN 0.230 nan 8.280 nan 0.000 0.504 26 L N 0.322 121.035 121.223 -0.849 0.000 2.131 26 L HA -0.201 4.139 4.340 -0.000 0.000 0.210 26 L C 2.606 179.408 176.870 -0.113 0.000 1.092 26 L CA 0.902 55.410 54.840 -0.554 0.000 0.759 26 L CB -0.298 41.481 42.059 -0.465 0.000 0.903 26 L HN 0.261 nan 8.230 nan 0.000 0.435 27 Q N 0.686 120.413 119.800 -0.122 0.000 2.049 27 Q HA -0.139 4.201 4.340 -0.000 0.000 0.198 27 Q C 2.296 178.320 176.000 0.041 0.000 0.971 27 Q CA 1.571 57.386 55.803 0.020 0.000 0.833 27 Q CB -0.027 28.722 28.738 0.017 0.000 0.896 27 Q HN 0.270 nan 8.270 nan 0.000 0.434 28 R N -1.018 119.451 120.500 -0.052 0.000 2.096 28 R HA -0.181 4.159 4.340 -0.000 0.000 0.240 28 R C 2.024 178.433 176.300 0.183 0.000 1.139 28 R CA 1.611 57.721 56.100 0.017 0.000 0.952 28 R CB -0.536 29.721 30.300 -0.073 0.000 0.854 28 R HN 0.372 nan 8.270 nan 0.000 0.436 29 W N 1.407 122.755 121.300 0.079 0.000 2.350 29 W HA -0.137 4.523 4.660 -0.000 0.000 0.289 29 W C 2.073 178.708 176.519 0.194 0.000 1.215 29 W CA 0.579 58.024 57.345 0.166 0.000 1.236 29 W CB -0.668 28.914 29.460 0.203 0.000 1.130 29 W HN 0.182 nan 8.180 nan 0.000 0.541 30 K N 0.290 120.924 120.400 0.391 0.000 2.097 30 K HA -0.088 4.232 4.320 -0.000 0.000 0.205 30 K C 2.182 178.903 176.600 0.202 0.000 1.050 30 K CA 1.606 58.062 56.287 0.283 0.000 0.938 30 K CB -0.199 32.440 32.500 0.233 0.000 0.718 30 K HN -0.059 nan 8.250 nan 0.000 0.442 31 A N 1.640 124.569 122.820 0.182 0.000 1.855 31 A HA -0.152 4.168 4.320 -0.000 0.000 0.215 31 A C 1.492 179.159 177.584 0.138 0.000 1.191 31 A CA 1.869 53.986 52.037 0.134 0.000 0.613 31 A CB -0.502 18.564 19.000 0.110 0.000 0.829 31 A HN 0.380 nan 8.150 nan 0.000 0.442 32 D N -0.805 119.703 120.400 0.179 0.000 2.378 32 D HA 0.177 4.817 4.640 -0.000 0.000 0.227 32 D C 1.327 177.720 176.300 0.154 0.000 1.012 32 D CA 1.109 55.203 54.000 0.158 0.000 0.905 32 D CB -0.303 40.607 40.800 0.184 0.000 0.895 32 D HN 0.670 nan 8.370 nan 0.000 0.532 33 G N 1.295 110.200 108.800 0.175 0.000 2.160 33 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.251 33 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.251 33 G C 0.091 175.090 174.900 0.166 0.000 1.008 33 G CA 0.156 45.341 45.100 0.142 0.000 0.724 33 G HN 0.518 nan 8.290 nan 0.000 0.514 34 H N 0.921 120.044 119.070 0.089 0.000 2.864 34 H HA 0.537 5.093 4.556 -0.000 0.000 0.281 34 H C 0.555 175.906 175.328 0.038 0.000 1.093 34 H CA -0.284 55.751 56.048 -0.023 0.000 1.453 34 H CB 0.388 30.022 29.762 -0.213 0.000 1.462 34 H HN 0.284 nan 8.280 nan 0.000 0.480 35 K N 6.886 127.116 120.400 -0.283 0.000 2.284 35 K HA 0.119 4.439 4.320 -0.000 0.000 0.287 35 K C -0.256 176.016 176.600 -0.547 0.000 1.081 35 K CA -0.490 55.602 56.287 -0.325 0.000 0.910 35 K CB 0.634 33.001 32.500 -0.222 0.000 1.088 35 K HN 0.550 nan 8.250 nan 0.000 0.478 36 W N 1.350 122.348 121.300 -0.504 0.000 2.436 36 W HA 0.682 5.342 4.660 -0.000 0.000 0.347 36 W C -0.720 175.662 176.519 -0.228 0.000 1.136 36 W CA -1.448 55.612 57.345 -0.475 0.000 1.286 36 W CB 0.411 29.683 29.460 -0.315 0.000 1.253 36 W HN 0.400 nan 8.180 nan 0.000 0.617 37 A N 4.035 126.854 122.820 -0.001 0.000 2.317 37 A HA 0.704 5.024 4.320 -0.000 0.000 0.327 37 A C -0.954 176.679 177.584 0.082 0.000 1.178 37 A CA -1.006 50.980 52.037 -0.085 0.000 0.817 37 A CB 1.370 20.282 19.000 -0.148 0.000 1.189 37 A HN 0.814 nan 8.150 nan 0.000 0.489 38 M N 2.974 122.572 119.600 -0.004 0.000 2.311 38 M HA 0.680 5.160 4.480 -0.000 0.000 0.325 38 M C -2.061 174.218 176.300 -0.035 0.000 1.061 38 M CA -0.743 54.612 55.300 0.092 0.000 0.957 38 M CB 1.291 33.990 32.600 0.166 0.000 1.646 38 M HN 0.591 nan 8.290 nan 0.000 0.434 39 L N 3.153 124.343 121.223 -0.056 0.000 2.354 39 L HA 0.599 4.939 4.340 -0.000 0.000 0.269 39 L C -0.214 176.664 176.870 0.014 0.000 1.005 39 L CA -0.044 54.723 54.840 -0.122 0.000 0.819 39 L CB 2.423 44.183 42.059 -0.498 0.000 1.311 39 L HN 0.741 nan 8.230 nan 0.000 0.423 40 T N 2.274 116.880 114.554 0.087 0.000 2.910 40 T HA 0.801 5.151 4.350 -0.000 0.000 0.293 40 T C -0.616 174.111 174.700 0.046 0.000 1.015 40 T CA 0.072 62.189 62.100 0.028 0.000 1.094 40 T CB 0.526 69.442 68.868 0.079 0.000 0.968 40 T HN 0.795 nan 8.240 nan 0.000 0.521 41 A N 3.293 125.897 122.820 -0.361 0.000 2.549 41 A HA 0.671 4.991 4.320 -0.000 0.000 0.297 41 A C -1.388 175.841 177.584 -0.591 0.000 1.061 41 A CA -0.635 51.215 52.037 -0.312 0.000 0.690 41 A CB 1.061 20.020 19.000 -0.069 0.000 1.287 41 A HN 0.910 nan 8.150 nan 0.000 0.402 42 Y N 0.201 120.626 120.300 0.208 0.000 2.728 42 Y HA 0.337 4.887 4.550 -0.000 0.000 0.256 42 Y C -0.069 175.889 175.900 0.098 0.000 1.112 42 Y CA -0.254 57.937 58.100 0.152 0.000 1.240 42 Y CB 0.665 39.212 38.460 0.144 0.000 1.337 42 Y HN 0.827 nan 8.280 nan 0.000 0.559 43 D N -3.968 116.518 120.400 0.143 0.000 2.639 43 D HA 0.083 4.723 4.640 -0.000 0.000 0.271 43 D C 0.342 176.666 176.300 0.040 0.000 1.254 43 D CA -0.930 53.136 54.000 0.109 0.000 0.810 43 D CB 0.384 41.248 40.800 0.107 0.000 1.351 43 D HN -0.141 nan 8.370 nan 0.000 0.427 44 Y N 1.272 121.553 120.300 -0.031 0.000 2.097 44 Y HA -0.190 4.360 4.550 -0.000 0.000 0.282 44 Y C 2.148 177.982 175.900 -0.109 0.000 1.152 44 Y CA 2.491 60.559 58.100 -0.054 0.000 1.136 44 Y CB -0.468 37.975 38.460 -0.029 0.000 0.975 44 Y HN 0.417 nan 8.280 nan 0.000 0.498 45 S N -0.601 115.018 115.700 -0.135 0.000 2.368 45 S HA -0.201 4.269 4.470 -0.000 0.000 0.225 45 S C 1.907 176.242 174.600 -0.442 0.000 1.030 45 S CA 1.753 59.787 58.200 -0.277 0.000 0.999 45 S CB -0.630 62.508 63.200 -0.102 0.000 0.844 45 S HN 0.612 nan 8.310 nan 0.000 0.459 46 T N 2.294 116.557 114.554 -0.485 0.000 2.737 46 T HA -0.013 4.337 4.350 -0.000 0.000 0.265 46 T C 2.183 176.341 174.700 -0.904 0.000 1.038 46 T CA 1.209 62.795 62.100 -0.857 0.000 1.144 46 T CB -0.546 67.774 68.868 -0.913 0.000 0.866 46 T HN 0.453 nan 8.240 nan 0.000 0.434 47 A N 1.912 124.399 122.820 -0.555 0.000 1.908 47 A HA -0.160 4.160 4.320 -0.000 0.000 0.218 47 A C 2.250 179.635 177.584 -0.333 0.000 1.181 47 A CA 2.089 53.913 52.037 -0.356 0.000 0.627 47 A CB -0.593 18.290 19.000 -0.196 0.000 0.818 47 A HN 0.313 nan 8.150 nan 0.000 0.445 48 R N 0.308 120.533 120.500 -0.459 0.000 2.096 48 R HA -0.098 4.242 4.340 -0.000 0.000 0.240 48 R C 1.776 177.919 176.300 -0.262 0.000 1.139 48 R CA 2.032 57.900 56.100 -0.388 0.000 0.952 48 R CB -0.843 29.130 30.300 -0.546 0.000 0.854 48 R HN 0.589 nan 8.270 nan 0.000 0.436 49 I N -0.536 119.824 120.570 -0.349 0.000 2.142 49 I HA -0.283 3.887 4.170 -0.000 0.000 0.240 49 I C 2.050 178.120 176.117 -0.078 0.000 1.078 49 I CA 1.636 62.779 61.300 -0.263 0.000 1.343 49 I CB -0.374 37.380 38.000 -0.410 0.000 1.046 49 I HN 0.146 nan 8.210 nan 0.000 0.405 50 F N 0.667 120.487 119.950 -0.217 0.000 2.216 50 F HA -0.273 4.254 4.527 -0.000 0.000 0.300 50 F C 2.265 178.004 175.800 -0.102 0.000 1.085 50 F CA 0.944 58.844 58.000 -0.166 0.000 1.326 50 F CB -0.311 38.579 39.000 -0.183 0.000 1.027 50 F HN 0.200 nan 8.300 nan 0.000 0.497 51 D N 0.730 121.184 120.400 0.090 0.000 2.084 51 D HA -0.198 4.442 4.640 -0.000 0.000 0.196 51 D C 1.835 178.149 176.300 0.024 0.000 0.985 51 D CA 1.353 55.397 54.000 0.073 0.000 0.826 51 D CB -0.162 40.684 40.800 0.077 0.000 0.978 51 D HN 0.425 nan 8.370 nan 0.000 0.456 52 E N -0.553 119.641 120.200 -0.010 0.000 2.512 52 E HA 0.054 4.404 4.350 -0.000 0.000 0.195 52 E C 1.076 177.659 176.600 -0.028 0.000 1.083 52 E CA 0.444 56.821 56.400 -0.038 0.000 0.873 52 E CB 0.226 29.899 29.700 -0.044 0.000 0.897 52 E HN 0.259 nan 8.360 nan 0.000 0.514 53 A N 0.887 123.709 122.820 0.003 0.000 2.390 53 A HA 0.489 4.809 4.320 -0.000 0.000 0.232 53 A C 1.767 179.341 177.584 -0.016 0.000 1.233 53 A CA 0.298 52.337 52.037 0.003 0.000 0.907 53 A CB 0.104 19.132 19.000 0.047 0.000 0.967 53 A HN 0.441 nan 8.150 nan 0.000 0.512 54 G N -0.350 108.442 108.800 -0.013 0.000 2.176 54 G HA2 -0.192 3.767 3.960 -0.000 0.000 0.253 54 G HA3 -0.192 3.767 3.960 -0.000 0.000 0.253 54 G C 0.077 174.983 174.900 0.010 0.000 0.979 54 G CA 0.056 45.147 45.100 -0.014 0.000 0.641 54 G HN 0.350 nan 8.290 nan 0.000 0.530 55 I N 2.318 122.893 120.570 0.008 0.000 2.662 55 I HA 0.085 4.255 4.170 -0.000 0.000 0.285 55 I C 0.109 176.280 176.117 0.090 0.000 1.161 55 I CA -1.439 59.867 61.300 0.011 0.000 1.415 55 I CB 0.369 38.334 38.000 -0.059 0.000 1.385 55 I HN 0.059 nan 8.210 nan 0.000 0.552 56 P HA -0.012 nan 4.420 nan 0.000 0.221 56 P C 0.279 177.674 177.300 0.159 0.000 1.155 56 P CA 0.820 64.039 63.100 0.199 0.000 0.812 56 P CB 0.721 32.631 31.700 0.349 0.000 0.801 57 V N 1.385 121.415 119.914 0.192 0.000 2.531 57 V HA 0.337 4.457 4.120 -0.000 0.000 0.301 57 V C -0.026 176.169 176.094 0.168 0.000 1.034 57 V CA -0.702 61.710 62.300 0.186 0.000 0.865 57 V CB 2.344 34.333 31.823 0.277 0.000 0.995 57 V HN -0.086 nan 8.190 nan 0.000 0.424 58 L N 5.153 126.462 121.223 0.142 0.000 2.341 58 L HA 0.604 4.944 4.340 -0.000 0.000 0.278 58 L C -0.949 175.977 176.870 0.093 0.000 1.005 58 L CA -0.766 54.141 54.840 0.112 0.000 0.818 58 L CB 1.959 44.081 42.059 0.106 0.000 1.259 58 L HN 0.466 nan 8.230 nan 0.000 0.418 59 L N 4.635 125.896 121.223 0.062 0.000 2.294 59 L HA 0.382 4.722 4.340 -0.000 0.000 0.283 59 L C -0.367 176.504 176.870 0.001 0.000 1.015 59 L CA -0.216 54.654 54.840 0.050 0.000 0.831 59 L CB 1.574 43.671 42.059 0.064 0.000 1.217 59 L HN 0.285 nan 8.230 nan 0.000 0.420 60 V N 6.216 126.154 119.914 0.041 0.000 2.229 60 V HA 0.382 4.502 4.120 -0.000 0.000 0.245 60 V C 1.277 177.496 176.094 0.207 0.000 1.243 60 V CA -0.011 62.349 62.300 0.101 0.000 1.176 60 V CB -0.510 31.406 31.823 0.155 0.000 1.323 60 V HN 0.883 nan 8.190 nan 0.000 0.499 61 G N 2.566 111.540 108.800 0.291 0.000 2.606 61 G HA2 0.219 4.179 3.960 -0.000 0.000 0.252 61 G HA3 0.219 4.179 3.960 -0.000 0.000 0.252 61 G C 0.779 175.896 174.900 0.360 0.000 1.206 61 G CA -0.035 45.256 45.100 0.318 0.000 0.861 61 G HN 0.720 nan 8.290 nan 0.000 0.561 62 D N -0.944 119.608 120.400 0.254 0.000 2.363 62 D HA -0.133 4.507 4.640 -0.000 0.000 0.226 62 D C 2.030 178.453 176.300 0.205 0.000 1.020 62 D CA 0.853 54.992 54.000 0.232 0.000 0.892 62 D CB -0.295 40.627 40.800 0.204 0.000 0.900 62 D HN 0.312 nan 8.370 nan 0.000 0.531 63 S N -0.024 115.807 115.700 0.218 0.000 2.507 63 S HA 0.078 4.548 4.470 -0.000 0.000 0.235 63 S C 2.099 176.690 174.600 -0.014 0.000 0.988 63 S CA 0.412 58.701 58.200 0.149 0.000 0.944 63 S CB -0.253 63.075 63.200 0.213 0.000 0.762 63 S HN 0.382 nan 8.310 nan 0.000 0.526 64 A N 1.885 124.648 122.820 -0.094 0.000 2.070 64 A HA 0.260 4.580 4.320 -0.000 0.000 0.220 64 A C 2.457 179.989 177.584 -0.087 0.000 1.159 64 A CA 1.377 53.134 52.037 -0.466 0.000 0.656 64 A CB -1.287 17.561 19.000 -0.253 0.000 0.800 64 A HN 0.769 nan 8.150 nan 0.000 0.453 65 A N 0.560 123.487 122.820 0.179 0.000 1.917 65 A HA -0.271 4.049 4.320 -0.000 0.000 0.219 65 A C 1.861 179.600 177.584 0.259 0.000 1.182 65 A CA 2.187 54.466 52.037 0.405 0.000 0.633 65 A CB -0.677 18.525 19.000 0.336 0.000 0.819 65 A HN 0.692 nan 8.150 nan 0.000 0.448 66 N N -0.267 118.486 118.700 0.090 0.000 2.178 66 N HA -0.013 4.727 4.740 -0.000 0.000 0.189 66 N C 1.652 177.112 175.510 -0.084 0.000 1.048 66 N CA 1.783 54.847 53.050 0.024 0.000 0.855 66 N CB -0.610 37.891 38.487 0.022 0.000 1.028 66 N HN 0.398 nan 8.380 nan 0.000 0.441 67 V N -0.961 118.854 119.914 -0.165 0.000 2.594 67 V HA -0.091 4.029 4.120 -0.000 0.000 0.253 67 V C 1.638 177.557 176.094 -0.291 0.000 1.069 67 V CA 1.361 63.523 62.300 -0.229 0.000 1.082 67 V CB -0.792 30.852 31.823 -0.300 0.000 0.680 67 V HN 0.122 nan 8.190 nan 0.000 0.469 68 V N -1.022 118.637 119.914 -0.425 0.000 2.581 68 V HA 0.101 4.221 4.120 -0.000 0.000 0.240 68 V C 2.112 177.835 176.094 -0.618 0.000 1.054 68 V CA 1.360 63.310 62.300 -0.584 0.000 1.076 68 V CB -0.524 30.755 31.823 -0.907 0.000 0.748 68 V HN 0.537 nan 8.190 nan 0.000 0.474 69 Y N 0.420 120.616 120.300 -0.173 0.000 2.449 69 Y HA 0.485 5.035 4.550 -0.000 0.000 0.254 69 Y C 1.895 177.523 175.900 -0.454 0.000 1.140 69 Y CA 0.486 58.394 58.100 -0.321 0.000 1.272 69 Y CB 0.526 38.734 38.460 -0.420 0.000 1.114 69 Y HN 0.328 nan 8.280 nan 0.000 0.525 70 G N -0.086 108.609 108.800 -0.174 0.000 2.143 70 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.248 70 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.248 70 G C -0.258 174.579 174.900 -0.105 0.000 0.991 70 G CA -0.338 44.679 45.100 -0.138 0.000 0.689 70 G HN 0.440 nan 8.290 nan 0.000 0.522 71 Y N 0.725 121.068 120.300 0.072 0.000 2.336 71 Y HA 0.331 4.881 4.550 -0.000 0.000 0.331 71 Y C 1.657 177.574 175.900 0.028 0.000 1.211 71 Y CA -0.202 57.929 58.100 0.051 0.000 1.346 71 Y CB 0.786 39.283 38.460 0.062 0.000 1.271 71 Y HN 0.255 nan 8.280 nan 0.000 0.538 72 D N -1.208 119.304 120.400 0.186 0.000 2.328 72 D HA 0.054 4.694 4.640 -0.000 0.000 0.226 72 D C -0.004 176.342 176.300 0.077 0.000 1.066 72 D CA 0.326 54.384 54.000 0.097 0.000 0.861 72 D CB 0.105 40.943 40.800 0.064 0.000 0.912 72 D HN 0.368 nan 8.370 nan 0.000 0.521 73 T N -1.634 112.978 114.554 0.097 0.000 2.754 73 T HA 0.425 4.775 4.350 -0.000 0.000 0.296 73 T C 0.321 175.050 174.700 0.048 0.000 1.205 73 T CA -0.309 61.812 62.100 0.035 0.000 1.009 73 T CB 1.745 70.593 68.868 -0.033 0.000 1.368 73 T HN 0.035 nan 8.240 nan 0.000 0.509 74 T N -1.023 113.533 114.554 0.002 0.000 3.134 74 T HA 0.250 4.600 4.350 -0.000 0.000 0.260 74 T C 1.436 176.121 174.700 -0.026 0.000 1.027 74 T CA -0.101 62.018 62.100 0.033 0.000 0.913 74 T CB -0.178 68.728 68.868 0.063 0.000 1.046 74 T HN 0.218 nan 8.240 nan 0.000 0.553 75 V N 2.852 122.686 119.914 -0.133 0.000 2.446 75 V HA 0.051 4.171 4.120 -0.000 0.000 0.244 75 V C 0.271 176.326 176.094 -0.065 0.000 1.039 75 V CA 1.012 63.184 62.300 -0.213 0.000 1.045 75 V CB -0.674 30.937 31.823 -0.354 0.000 0.681 75 V HN 0.455 nan 8.190 nan 0.000 0.459 76 P HA -0.017 nan 4.420 nan 0.000 0.224 76 P C 0.960 178.037 177.300 -0.372 0.000 1.157 76 P CA 0.649 63.523 63.100 -0.376 0.000 0.799 76 P CB 0.282 31.535 31.700 -0.744 0.000 0.809 77 I N 1.763 122.160 120.570 -0.289 0.000 2.826 77 I HA -0.048 4.122 4.170 -0.000 0.000 0.295 77 I C 0.587 176.716 176.117 0.019 0.000 1.213 77 I CA 0.192 61.453 61.300 -0.064 0.000 1.436 77 I CB 0.515 38.607 38.000 0.153 0.000 1.348 77 I HN 0.073 nan 8.210 nan 0.000 0.570 78 S N 6.635 122.344 115.700 0.015 0.000 2.681 78 S HA 0.422 4.892 4.470 -0.000 0.000 0.299 78 S C 1.123 175.785 174.600 0.102 0.000 1.113 78 S CA -0.867 57.358 58.200 0.042 0.000 1.013 78 S CB 1.649 64.846 63.200 -0.004 0.000 1.076 78 S HN 0.657 nan 8.310 nan 0.000 0.534 79 I N 0.732 121.366 120.570 0.107 0.000 2.208 79 I HA -0.193 3.977 4.170 -0.000 0.000 0.245 79 I C 1.580 177.716 176.117 0.031 0.000 1.097 79 I CA 1.488 62.861 61.300 0.122 0.000 1.363 79 I CB -0.385 37.621 38.000 0.011 0.000 1.051 79 I HN 0.684 nan 8.210 nan 0.000 0.413 80 D N 0.600 120.999 120.400 -0.000 0.000 2.310 80 D HA -0.144 4.496 4.640 -0.000 0.000 0.212 80 D C 1.735 178.051 176.300 0.026 0.000 0.965 80 D CA 0.969 54.962 54.000 -0.011 0.000 0.879 80 D CB -0.120 40.667 40.800 -0.021 0.000 0.921 80 D HN 0.498 nan 8.370 nan 0.000 0.510 81 E N -0.385 119.835 120.200 0.034 0.000 2.478 81 E HA 0.080 4.430 4.350 -0.000 0.000 0.194 81 E C 1.718 178.465 176.600 0.244 0.000 1.045 81 E CA 0.017 56.431 56.400 0.023 0.000 0.868 81 E CB 0.524 30.080 29.700 -0.241 0.000 0.885 81 E HN 0.264 nan 8.360 nan 0.000 0.505 82 L N -0.339 121.032 121.223 0.246 0.000 2.515 82 L HA 0.110 4.450 4.340 -0.000 0.000 0.202 82 L C 2.115 179.166 176.870 0.301 0.000 1.056 82 L CA 0.079 55.131 54.840 0.353 0.000 0.847 82 L CB -0.014 42.333 42.059 0.480 0.000 1.131 82 L HN 0.070 nan 8.230 nan 0.000 0.484 83 I N 1.423 122.085 120.570 0.153 0.000 2.145 83 I HA -0.256 3.914 4.170 -0.000 0.000 0.244 83 I C -0.399 175.771 176.117 0.089 0.000 1.075 83 I CA 1.805 63.124 61.300 0.033 0.000 1.332 83 I CB -1.508 36.385 38.000 -0.177 0.000 1.033 83 I HN 0.258 nan 8.210 nan 0.000 0.410 84 P HA -0.146 nan 4.420 nan 0.000 0.220 84 P C 1.910 179.290 177.300 0.133 0.000 1.148 84 P CA 1.538 64.694 63.100 0.095 0.000 0.803 84 P CB -0.039 31.715 31.700 0.090 0.000 0.782 85 L N -0.964 120.372 121.223 0.188 0.000 2.109 85 L HA -0.080 4.260 4.340 -0.000 0.000 0.207 85 L C 2.727 179.710 176.870 0.189 0.000 1.086 85 L CA 0.965 55.930 54.840 0.208 0.000 0.760 85 L CB -1.049 41.178 42.059 0.279 0.000 0.910 85 L HN -0.171 nan 8.230 nan 0.000 0.437 86 V N 0.157 120.193 119.914 0.203 0.000 2.287 86 V HA -0.299 3.821 4.120 -0.000 0.000 0.248 86 V C 2.661 178.823 176.094 0.114 0.000 1.053 86 V CA 1.783 64.187 62.300 0.174 0.000 1.027 86 V CB -0.641 31.327 31.823 0.242 0.000 0.646 86 V HN 0.426 nan 8.190 nan 0.000 0.447 87 R N 0.051 120.612 120.500 0.101 0.000 2.103 87 R HA -0.159 4.181 4.340 -0.000 0.000 0.242 87 R C 2.461 178.812 176.300 0.086 0.000 1.142 87 R CA 1.624 57.765 56.100 0.069 0.000 0.960 87 R CB -0.932 29.398 30.300 0.050 0.000 0.858 87 R HN 0.613 nan 8.270 nan 0.000 0.439 88 G N 0.450 109.316 108.800 0.110 0.000 2.421 88 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.216 88 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.216 88 G C 1.485 176.495 174.900 0.184 0.000 1.171 88 G CA 0.705 45.897 45.100 0.154 0.000 0.775 88 G HN 0.139 nan 8.290 nan 0.000 0.543 89 V N 0.541 120.527 119.914 0.121 0.000 2.343 89 V HA -0.163 3.957 4.120 -0.000 0.000 0.247 89 V C 3.040 179.171 176.094 0.060 0.000 1.051 89 V CA 1.405 63.745 62.300 0.067 0.000 1.036 89 V CB -0.310 31.544 31.823 0.051 0.000 0.654 89 V HN 0.240 nan 8.190 nan 0.000 0.451 90 V N -0.062 119.887 119.914 0.057 0.000 2.407 90 V HA -0.266 3.854 4.120 -0.000 0.000 0.248 90 V C 2.532 178.672 176.094 0.078 0.000 1.055 90 V CA 2.072 64.390 62.300 0.030 0.000 1.049 90 V CB -0.777 31.037 31.823 -0.015 0.000 0.662 90 V HN 0.495 nan 8.190 nan 0.000 0.455 91 R N -0.005 120.575 120.500 0.133 0.000 2.148 91 R HA -0.001 4.339 4.340 -0.000 0.000 0.223 91 R C 2.325 178.788 176.300 0.272 0.000 1.088 91 R CA 1.123 57.343 56.100 0.201 0.000 0.985 91 R CB -0.498 29.928 30.300 0.211 0.000 0.880 91 R HN 0.564 nan 8.270 nan 0.000 0.451 92 G N 0.005 108.900 108.800 0.158 0.000 2.603 92 G HA2 0.053 4.013 3.960 -0.000 0.000 0.214 92 G HA3 0.053 4.013 3.960 -0.000 0.000 0.214 92 G C 0.368 175.191 174.900 -0.127 0.000 1.140 92 G CA 0.332 45.297 45.100 -0.224 0.000 0.800 92 G HN 0.297 nan 8.290 nan 0.000 0.533 93 A N 0.651 123.463 122.820 -0.013 0.000 2.938 93 A HA 0.673 4.993 4.320 -0.000 0.000 0.344 93 A C -1.593 176.028 177.584 0.061 0.000 1.142 93 A CA -1.048 51.013 52.037 0.040 0.000 0.841 93 A CB 1.174 20.209 19.000 0.059 0.000 1.083 93 A HN 0.015 nan 8.150 nan 0.000 0.479 94 P HA -0.111 nan 4.420 nan 0.000 0.222 94 P C 0.482 177.598 177.300 -0.307 0.000 1.147 94 P CA 1.485 64.486 63.100 -0.165 0.000 0.790 94 P CB 0.093 31.620 31.700 -0.288 0.000 0.780 95 H N -2.274 116.820 119.070 0.040 0.000 2.740 95 H HA 0.438 4.994 4.556 -0.000 0.000 0.265 95 H C 0.853 176.202 175.328 0.034 0.000 0.978 95 H CA -0.077 55.989 56.048 0.029 0.000 1.198 95 H CB -0.064 29.715 29.762 0.028 0.000 1.467 95 H HN 0.034 nan 8.280 nan 0.000 0.511 96 A N 1.061 123.974 122.820 0.154 0.000 2.286 96 A HA 0.428 4.748 4.320 -0.000 0.000 0.286 96 A C -0.437 177.220 177.584 0.122 0.000 1.097 96 A CA -0.600 51.517 52.037 0.134 0.000 0.821 96 A CB 0.269 19.354 19.000 0.142 0.000 1.076 96 A HN 0.278 nan 8.150 nan 0.000 0.490 97 L N 2.567 123.847 121.223 0.096 0.000 2.268 97 L HA 0.479 4.819 4.340 -0.000 0.000 0.289 97 L C -0.652 176.373 176.870 0.258 0.000 1.064 97 L CA 0.070 54.984 54.840 0.122 0.000 0.824 97 L CB 0.618 42.646 42.059 -0.052 0.000 1.202 97 L HN 0.330 nan 8.230 nan 0.000 0.433 98 V N 6.333 126.514 119.914 0.446 0.000 2.432 98 V HA 0.312 4.432 4.120 -0.000 0.000 0.271 98 V C 0.067 176.206 176.094 0.075 0.000 1.046 98 V CA -0.495 61.880 62.300 0.124 0.000 0.945 98 V CB 1.233 33.013 31.823 -0.072 0.000 0.992 98 V HN 0.523 nan 8.190 nan 0.000 0.471 99 V N 4.599 124.570 119.914 0.095 0.000 2.398 99 V HA 0.709 4.829 4.120 -0.000 0.000 0.286 99 V C 0.468 176.578 176.094 0.027 0.000 1.026 99 V CA -0.568 61.786 62.300 0.089 0.000 0.868 99 V CB 1.563 33.472 31.823 0.144 0.000 0.982 99 V HN 0.942 nan 8.190 nan 0.000 0.443 100 A N 3.143 125.941 122.820 -0.038 0.000 2.276 100 A HA 0.588 4.908 4.320 -0.000 0.000 0.316 100 A C -0.374 177.020 177.584 -0.318 0.000 1.229 100 A CA -0.433 51.504 52.037 -0.165 0.000 0.851 100 A CB 0.590 19.465 19.000 -0.208 0.000 1.165 100 A HN 0.795 nan 8.150 nan 0.000 0.513 101 D N 2.257 122.517 120.400 -0.233 0.000 2.308 101 D HA 0.347 4.987 4.640 -0.000 0.000 0.251 101 D C -0.222 175.895 176.300 -0.304 0.000 1.127 101 D CA 0.095 53.994 54.000 -0.169 0.000 0.876 101 D CB 0.585 41.398 40.800 0.020 0.000 1.176 101 D HN 0.433 nan 8.370 nan 0.000 0.446 102 L N 5.590 126.675 121.223 -0.230 0.000 2.319 102 L HA 0.297 4.637 4.340 -0.000 0.000 0.280 102 L C -1.831 175.165 176.870 0.210 0.000 1.099 102 L CA -1.735 53.061 54.840 -0.073 0.000 0.828 102 L CB 0.824 42.858 42.059 -0.040 0.000 1.150 102 L HN 0.283 nan 8.230 nan 0.000 0.442 103 P HA -0.053 nan 4.420 nan 0.000 0.269 103 P C -0.436 177.020 177.300 0.259 0.000 1.215 103 P CA -0.404 62.858 63.100 0.270 0.000 0.780 103 P CB 0.348 32.197 31.700 0.248 0.000 0.898 104 F N 1.908 121.908 119.950 0.083 0.000 2.608 104 F HA 0.287 4.814 4.527 -0.000 0.000 0.380 104 F C 1.489 177.229 175.800 -0.100 0.000 1.083 104 F CA 1.785 59.765 58.000 -0.033 0.000 1.266 104 F CB -0.470 38.507 39.000 -0.039 0.000 1.076 104 F HN 0.676 nan 8.300 nan 0.000 0.574 105 G N 2.962 111.047 108.800 -1.193 0.000 2.241 105 G HA2 -0.346 3.614 3.960 -0.000 0.000 0.244 105 G HA3 -0.346 3.614 3.960 -0.000 0.000 0.244 105 G C 1.055 175.659 174.900 -0.494 0.000 0.998 105 G CA 0.664 45.164 45.100 -1.001 0.000 0.621 105 G HN 1.390 nan 8.290 nan 0.000 0.519 106 S N -0.263 115.264 115.700 -0.288 0.000 2.562 106 S HA 0.328 4.798 4.470 -0.000 0.000 0.221 106 S C 1.504 176.141 174.600 0.062 0.000 0.975 106 S CA 1.491 59.671 58.200 -0.034 0.000 0.918 106 S CB -0.365 62.933 63.200 0.162 0.000 0.772 106 S HN 1.580 nan 8.310 nan 0.000 0.531 107 Y N -1.246 119.021 120.300 -0.056 0.000 2.729 107 Y HA 0.604 5.153 4.550 -0.000 0.000 0.266 107 Y C 1.123 176.997 175.900 -0.042 0.000 1.064 107 Y CA -0.583 57.500 58.100 -0.028 0.000 1.251 107 Y CB -0.132 38.326 38.460 -0.003 0.000 1.379 107 Y HN 0.045 nan 8.280 nan 0.000 0.569 108 E N 1.908 121.831 120.200 -0.462 0.000 2.274 108 E HA 0.010 4.360 4.350 -0.000 0.000 0.194 108 E C 2.205 178.732 176.600 -0.122 0.000 0.996 108 E CA 1.243 57.473 56.400 -0.284 0.000 0.840 108 E CB -0.106 29.357 29.700 -0.395 0.000 0.772 108 E HN 0.592 nan 8.360 nan 0.000 0.491 109 A N 0.373 123.124 122.820 -0.116 0.000 2.015 109 A HA 0.284 4.604 4.320 -0.000 0.000 0.219 109 A C 1.263 178.835 177.584 -0.020 0.000 1.163 109 A CA 1.371 53.369 52.037 -0.065 0.000 0.646 109 A CB -0.241 18.720 19.000 -0.065 0.000 0.806 109 A HN 0.316 nan 8.150 nan 0.000 0.448 110 G N -3.385 105.421 108.800 0.010 0.000 2.369 110 G HA2 0.252 4.212 3.960 -0.000 0.000 0.293 110 G HA3 0.252 4.212 3.960 -0.000 0.000 0.293 110 G C -2.546 172.383 174.900 0.049 0.000 1.301 110 G CA -0.148 44.969 45.100 0.029 0.000 0.913 110 G HN -0.129 nan 8.290 nan 0.000 0.540 111 P HA -0.042 nan 4.420 nan 0.000 0.215 111 P C 2.118 179.444 177.300 0.044 0.000 1.157 111 P CA 2.913 66.041 63.100 0.046 0.000 0.868 111 P CB -0.118 31.602 31.700 0.033 0.000 0.788 112 T N -0.286 114.288 114.554 0.032 0.000 2.635 112 T HA -0.233 4.117 4.350 -0.000 0.000 0.267 112 T C 1.936 176.657 174.700 0.035 0.000 1.040 112 T CA 1.872 63.989 62.100 0.028 0.000 1.156 112 T CB -1.266 67.612 68.868 0.017 0.000 0.863 112 T HN 0.074 nan 8.240 nan 0.000 0.430 113 A N 1.867 124.708 122.820 0.034 0.000 1.845 113 A HA 0.153 4.473 4.320 -0.000 0.000 0.215 113 A C 2.777 180.407 177.584 0.076 0.000 1.195 113 A CA 2.111 54.172 52.037 0.039 0.000 0.616 113 A CB -1.431 17.579 19.000 0.017 0.000 0.832 113 A HN 0.555 nan 8.150 nan 0.000 0.443 114 A N -0.659 122.224 122.820 0.105 0.000 1.917 114 A HA -0.139 4.181 4.320 -0.000 0.000 0.219 114 A C 2.176 179.825 177.584 0.110 0.000 1.182 114 A CA 1.988 54.112 52.037 0.146 0.000 0.633 114 A CB -0.704 18.385 19.000 0.149 0.000 0.819 114 A HN 0.756 nan 8.150 nan 0.000 0.448 115 L N -0.428 120.842 121.223 0.079 0.000 2.046 115 L HA -0.046 4.294 4.340 -0.000 0.000 0.208 115 L C 2.707 179.621 176.870 0.073 0.000 1.077 115 L CA 2.213 57.094 54.840 0.068 0.000 0.747 115 L CB -0.831 41.258 42.059 0.049 0.000 0.896 115 L HN 0.351 nan 8.230 nan 0.000 0.432 116 A N -0.470 122.388 122.820 0.064 0.000 1.877 116 A HA -0.129 4.191 4.320 -0.000 0.000 0.216 116 A C 2.459 180.087 177.584 0.074 0.000 1.186 116 A CA 1.979 54.048 52.037 0.053 0.000 0.620 116 A CB -1.242 17.779 19.000 0.036 0.000 0.822 116 A HN 0.578 nan 8.150 nan 0.000 0.443 117 A N -0.108 122.780 122.820 0.114 0.000 1.858 117 A HA 0.122 4.442 4.320 -0.000 0.000 0.216 117 A C 2.554 180.321 177.584 0.305 0.000 1.190 117 A CA 2.377 54.526 52.037 0.187 0.000 0.617 117 A CB -1.181 17.969 19.000 0.249 0.000 0.827 117 A HN 1.131 nan 8.150 nan 0.000 0.443 118 A N -1.000 121.978 122.820 0.263 0.000 1.908 118 A HA -0.112 4.208 4.320 -0.000 0.000 0.218 118 A C 2.285 180.003 177.584 0.223 0.000 1.181 118 A CA 2.377 54.575 52.037 0.268 0.000 0.627 118 A CB -1.416 17.666 19.000 0.137 0.000 0.818 118 A HN 0.455 nan 8.150 nan 0.000 0.445 119 T N -0.322 114.312 114.554 0.134 0.000 2.803 119 T HA -0.162 4.188 4.350 -0.000 0.000 0.269 119 T C 2.003 176.740 174.700 0.062 0.000 1.052 119 T CA 1.567 63.719 62.100 0.085 0.000 1.136 119 T CB -0.248 68.652 68.868 0.053 0.000 0.864 119 T HN 0.514 nan 8.240 nan 0.000 0.467 120 R N -0.102 120.418 120.500 0.033 0.000 2.075 120 R HA 0.027 4.367 4.340 -0.000 0.000 0.232 120 R C 2.182 178.417 176.300 -0.108 0.000 1.126 120 R CA 1.236 57.287 56.100 -0.081 0.000 0.963 120 R CB -0.484 29.699 30.300 -0.195 0.000 0.858 120 R HN 0.390 nan 8.270 nan 0.000 0.435 121 F N 0.812 120.782 119.950 0.033 0.000 2.269 121 F HA -0.151 4.376 4.527 -0.000 0.000 0.301 121 F C 2.140 177.949 175.800 0.015 0.000 1.082 121 F CA 1.007 59.026 58.000 0.031 0.000 1.360 121 F CB -0.029 38.997 39.000 0.042 0.000 1.041 121 F HN -0.027 nan 8.300 nan 0.000 0.512 122 L N -0.570 120.758 121.223 0.175 0.000 2.121 122 L HA -0.093 4.247 4.340 -0.000 0.000 0.200 122 L C 2.281 179.184 176.870 0.054 0.000 1.077 122 L CA 1.103 56.003 54.840 0.101 0.000 0.766 122 L CB -0.702 41.411 42.059 0.091 0.000 0.931 122 L HN -0.026 nan 8.230 nan 0.000 0.452 123 K N -0.289 120.135 120.400 0.039 0.000 2.097 123 K HA -0.187 4.133 4.320 -0.000 0.000 0.206 123 K C 1.635 178.237 176.600 0.004 0.000 1.049 123 K CA 1.517 57.815 56.287 0.018 0.000 0.933 123 K CB -0.023 32.483 32.500 0.011 0.000 0.717 123 K HN 0.232 nan 8.250 nan 0.000 0.442 124 D N -0.346 120.047 120.400 -0.012 0.000 2.468 124 D HA -0.015 4.625 4.640 -0.000 0.000 0.243 124 D C 1.969 178.260 176.300 -0.014 0.000 0.994 124 D CA 1.085 55.067 54.000 -0.029 0.000 0.932 124 D CB -0.269 40.487 40.800 -0.073 0.000 1.078 124 D HN 0.116 nan 8.370 nan 0.000 0.473 125 G N -0.576 108.219 108.800 -0.008 0.000 2.448 125 G HA2 0.007 3.967 3.960 -0.000 0.000 0.219 125 G HA3 0.007 3.967 3.960 -0.000 0.000 0.219 125 G C 1.257 176.182 174.900 0.041 0.000 1.127 125 G CA 1.143 46.272 45.100 0.047 0.000 0.766 125 G HN 0.711 nan 8.290 nan 0.000 0.552 126 G N -1.079 107.735 108.800 0.024 0.000 2.143 126 G HA2 0.104 4.064 3.960 -0.000 0.000 0.249 126 G HA3 0.104 4.064 3.960 -0.000 0.000 0.249 126 G C 0.597 175.432 174.900 -0.109 0.000 0.981 126 G CA 0.644 45.735 45.100 -0.015 0.000 0.665 126 G HN 1.438 nan 8.290 nan 0.000 0.528 127 A N -0.459 122.324 122.820 -0.062 0.000 2.429 127 A HA 0.564 4.884 4.320 -0.000 0.000 0.242 127 A C 1.196 178.665 177.584 -0.191 0.000 1.088 127 A CA 0.896 52.835 52.037 -0.164 0.000 0.784 127 A CB 0.160 19.176 19.000 0.027 0.000 1.038 127 A HN 0.488 nan 8.150 nan 0.000 0.501 128 H N -0.214 118.878 119.070 0.036 0.000 2.604 128 H HA 0.471 5.027 4.556 -0.000 0.000 0.273 128 H C 0.640 175.966 175.328 -0.005 0.000 0.971 128 H CA 1.095 57.139 56.048 -0.008 0.000 1.249 128 H CB 0.178 29.908 29.762 -0.054 0.000 1.449 128 H HN 0.831 nan 8.280 nan 0.000 0.512 129 A N 0.793 123.689 122.820 0.126 0.000 2.599 129 A HA 0.577 4.897 4.320 -0.000 0.000 0.290 129 A C -0.893 176.755 177.584 0.107 0.000 1.101 129 A CA -0.246 51.880 52.037 0.149 0.000 0.674 129 A CB 1.284 20.434 19.000 0.249 0.000 1.277 129 A HN 0.042 nan 8.150 nan 0.000 0.419 130 V N -1.738 118.232 119.914 0.092 0.000 3.001 130 V HA 0.820 4.940 4.120 -0.000 0.000 0.314 130 V C -0.526 175.545 176.094 -0.038 0.000 1.099 130 V CA -0.893 61.387 62.300 -0.033 0.000 0.989 130 V CB 1.860 33.630 31.823 -0.088 0.000 1.040 130 V HN 0.969 nan 8.190 nan 0.000 0.434 131 K N 2.235 122.572 120.400 -0.104 0.000 2.307 131 K HA 0.663 4.983 4.320 -0.000 0.000 0.263 131 K C -1.828 174.669 176.600 -0.173 0.000 0.973 131 K CA -0.783 55.447 56.287 -0.095 0.000 0.846 131 K CB 1.692 34.172 32.500 -0.033 0.000 1.100 131 K HN 0.740 nan 8.250 nan 0.000 0.438 132 L N 4.135 125.228 121.223 -0.217 0.000 2.298 132 L HA 0.313 4.653 4.340 -0.000 0.000 0.284 132 L C -0.516 176.195 176.870 -0.265 0.000 1.013 132 L CA -0.155 54.422 54.840 -0.438 0.000 0.824 132 L CB 1.445 43.248 42.059 -0.426 0.000 1.221 132 L HN 0.638 nan 8.230 nan 0.000 0.418 133 E N 3.506 123.571 120.200 -0.225 0.000 2.289 133 E HA 0.612 4.962 4.350 -0.000 0.000 0.278 133 E C -0.312 176.307 176.600 0.031 0.000 1.032 133 E CA 0.057 56.421 56.400 -0.060 0.000 0.854 133 E CB 0.780 30.428 29.700 -0.086 0.000 1.046 133 E HN 0.868 nan 8.360 nan 0.000 0.409 134 G N 1.768 110.571 108.800 0.005 0.000 2.350 134 G HA2 0.331 4.291 3.960 -0.000 0.000 0.304 134 G HA3 0.331 4.291 3.960 -0.000 0.000 0.304 134 G C -0.444 174.473 174.900 0.027 0.000 1.421 134 G CA -0.454 44.674 45.100 0.047 0.000 0.934 134 G HN 0.709 nan 8.290 nan 0.000 0.632 135 G N -1.150 107.668 108.800 0.029 0.000 3.019 135 G HA2 0.560 4.520 3.960 -0.000 0.000 0.152 135 G HA3 0.560 4.520 3.960 -0.000 0.000 0.152 135 G C 0.835 175.749 174.900 0.023 0.000 1.320 135 G CA 0.684 45.797 45.100 0.022 0.000 1.013 135 G HN 0.707 nan 8.290 nan 0.000 0.593 136 E N 0.318 120.529 120.200 0.019 0.000 2.086 136 E HA -0.277 4.073 4.350 -0.000 0.000 0.200 136 E C 2.458 179.072 176.600 0.023 0.000 1.012 136 E CA 1.562 57.973 56.400 0.018 0.000 0.812 136 E CB -0.237 29.471 29.700 0.014 0.000 0.743 136 E HN 0.528 nan 8.360 nan 0.000 0.453 137 R N 0.683 121.198 120.500 0.025 0.000 2.276 137 R HA -0.132 4.208 4.340 -0.000 0.000 0.243 137 R C 1.548 177.876 176.300 0.047 0.000 1.161 137 R CA 1.419 57.537 56.100 0.031 0.000 1.007 137 R CB -0.286 30.033 30.300 0.031 0.000 0.867 137 R HN 0.068 nan 8.270 nan 0.000 0.472 138 V N 0.365 120.311 119.914 0.053 0.000 3.578 138 V HA 0.231 4.351 4.120 -0.000 0.000 0.290 138 V C 2.167 178.285 176.094 0.039 0.000 1.376 138 V CA 0.485 62.826 62.300 0.068 0.000 1.083 138 V CB 0.659 32.534 31.823 0.087 0.000 0.911 138 V HN 0.445 nan 8.190 nan 0.000 0.433 139 A N 0.577 123.414 122.820 0.028 0.000 1.908 139 A HA -0.274 4.046 4.320 -0.000 0.000 0.218 139 A C 2.170 179.767 177.584 0.021 0.000 1.181 139 A CA 2.260 54.308 52.037 0.019 0.000 0.627 139 A CB -0.351 18.659 19.000 0.017 0.000 0.818 139 A HN 0.578 nan 8.150 nan 0.000 0.445 140 E N -0.706 119.509 120.200 0.026 0.000 2.070 140 E HA -0.308 4.042 4.350 -0.000 0.000 0.197 140 E C 2.200 178.818 176.600 0.030 0.000 1.004 140 E CA 1.756 58.171 56.400 0.026 0.000 0.805 140 E CB -0.102 29.614 29.700 0.027 0.000 0.744 140 E HN 0.720 nan 8.360 nan 0.000 0.451 141 Q N 0.324 120.148 119.800 0.040 0.000 2.050 141 Q HA -0.114 4.225 4.340 -0.000 0.000 0.202 141 Q C 2.210 178.223 176.000 0.022 0.000 0.980 141 Q CA 1.539 57.368 55.803 0.044 0.000 0.840 141 Q CB -0.137 28.646 28.738 0.075 0.000 0.898 141 Q HN 0.392 nan 8.270 nan 0.000 0.424 142 I N 0.301 120.875 120.570 0.008 0.000 2.208 142 I HA -0.316 3.854 4.170 -0.000 0.000 0.245 142 I C 2.224 178.349 176.117 0.013 0.000 1.097 142 I CA 1.015 62.312 61.300 -0.003 0.000 1.363 142 I CB -0.516 37.476 38.000 -0.014 0.000 1.051 142 I HN 0.213 nan 8.210 nan 0.000 0.413 143 A N -0.091 122.739 122.820 0.017 0.000 1.877 143 A HA -0.290 4.030 4.320 -0.000 0.000 0.216 143 A C 2.563 180.160 177.584 0.023 0.000 1.186 143 A CA 1.941 53.990 52.037 0.020 0.000 0.620 143 A CB -1.378 17.633 19.000 0.018 0.000 0.822 143 A HN 0.592 nan 8.150 nan 0.000 0.443 144 C N -0.293 119.021 119.300 0.024 0.000 2.413 144 C HA -0.107 4.353 4.460 -0.000 0.000 0.277 144 C C 2.696 177.704 174.990 0.029 0.000 1.228 144 C CA 1.290 60.323 59.018 0.026 0.000 1.731 144 C CB -1.572 26.185 27.740 0.029 0.000 2.042 144 C HN 0.592 nan 8.230 nan 0.000 0.468 145 L N -0.114 121.129 121.223 0.032 0.000 1.989 145 L HA -0.152 4.188 4.340 -0.000 0.000 0.211 145 L C 2.737 179.631 176.870 0.040 0.000 1.071 145 L CA 2.272 57.134 54.840 0.038 0.000 0.749 145 L CB -1.669 40.412 42.059 0.036 0.000 0.890 145 L HN 0.346 nan 8.230 nan 0.000 0.431 146 T N 0.193 114.771 114.554 0.040 0.000 2.699 146 T HA -0.217 4.133 4.350 -0.000 0.000 0.268 146 T C 1.931 176.652 174.700 0.035 0.000 1.036 146 T CA 1.607 63.735 62.100 0.046 0.000 1.147 146 T CB -0.238 68.658 68.868 0.046 0.000 0.862 146 T HN 0.479 nan 8.240 nan 0.000 0.446 147 A N 0.909 123.746 122.820 0.028 0.000 2.015 147 A HA 0.294 4.614 4.320 -0.000 0.000 0.219 147 A C 2.445 180.041 177.584 0.020 0.000 1.163 147 A CA 1.489 53.538 52.037 0.021 0.000 0.646 147 A CB -0.681 18.330 19.000 0.018 0.000 0.806 147 A HN 0.503 nan 8.150 nan 0.000 0.448 148 A N -1.777 121.058 122.820 0.024 0.000 2.167 148 A HA 0.392 4.712 4.320 -0.000 0.000 0.214 148 A C 1.749 179.346 177.584 0.022 0.000 1.151 148 A CA 1.305 53.356 52.037 0.023 0.000 0.735 148 A CB -0.724 18.294 19.000 0.029 0.000 0.802 148 A HN 1.825 nan 8.150 nan 0.000 0.467 149 G N -1.243 107.571 108.800 0.023 0.000 2.134 149 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.209 149 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.209 149 G C -0.035 174.881 174.900 0.027 0.000 0.993 149 G CA 0.035 45.146 45.100 0.018 0.000 0.669 149 G HN 0.423 nan 8.290 nan 0.000 0.519 150 I N 1.683 122.279 120.570 0.043 0.000 2.307 150 I HA 0.279 4.449 4.170 -0.000 0.000 0.289 150 I C -2.151 174.020 176.117 0.090 0.000 1.021 150 I CA -2.335 59.001 61.300 0.061 0.000 1.224 150 I CB 1.689 39.728 38.000 0.066 0.000 1.376 150 I HN -0.163 nan 8.210 nan 0.000 0.470 151 P HA 0.062 nan 4.420 nan 0.000 0.267 151 P C -0.802 176.710 177.300 0.354 0.000 1.209 151 P CA 0.065 63.293 63.100 0.213 0.000 0.763 151 P CB 0.622 32.320 31.700 -0.003 0.000 0.816 152 V N 5.288 125.418 119.914 0.362 0.000 2.448 152 V HA 0.402 4.522 4.120 -0.000 0.000 0.295 152 V C 0.079 176.031 176.094 -0.237 0.000 1.025 152 V CA -0.584 61.781 62.300 0.107 0.000 0.859 152 V CB 1.724 33.555 31.823 0.013 0.000 0.988 152 V HN 0.554 nan 8.190 nan 0.000 0.431 153 M N 4.822 124.230 119.600 -0.321 0.000 2.088 153 M HA 0.706 5.186 4.480 -0.000 0.000 0.346 153 M C 0.207 176.349 176.300 -0.265 0.000 1.111 153 M CA -0.293 54.664 55.300 -0.572 0.000 1.017 153 M CB 1.016 33.396 32.600 -0.368 0.000 1.568 153 M HN 0.819 nan 8.290 nan 0.000 0.445 154 A N 3.960 126.641 122.820 -0.232 0.000 2.280 154 A HA 0.348 4.668 4.320 -0.000 0.000 0.268 154 A C -0.967 176.610 177.584 -0.012 0.000 1.111 154 A CA -0.180 51.797 52.037 -0.100 0.000 0.814 154 A CB 0.327 19.280 19.000 -0.077 0.000 1.093 154 A HN 0.977 nan 8.150 nan 0.000 0.498 155 H N -0.527 118.494 119.070 -0.082 0.000 3.277 155 H HA 0.514 5.070 4.556 -0.000 0.000 0.329 155 H C -1.107 174.206 175.328 -0.025 0.000 1.034 155 H CA -0.718 55.299 56.048 -0.052 0.000 1.530 155 H CB 0.687 30.423 29.762 -0.044 0.000 1.837 155 H HN 0.745 nan 8.280 nan 0.000 0.493 156 I N 1.893 122.604 120.570 0.235 0.000 2.846 156 I HA 0.920 5.090 4.170 -0.000 0.000 0.307 156 I C -0.341 175.864 176.117 0.145 0.000 1.053 156 I CA -0.875 60.498 61.300 0.122 0.000 1.050 156 I CB 2.336 40.380 38.000 0.074 0.000 1.239 156 I HN 0.551 nan 8.210 nan 0.000 0.439 157 G N 2.078 110.930 108.800 0.087 0.000 3.022 157 G HA2 0.649 4.609 3.960 -0.000 0.000 0.284 157 G HA3 0.649 4.609 3.960 -0.000 0.000 0.284 157 G C -2.211 172.778 174.900 0.149 0.000 1.375 157 G CA -0.623 44.539 45.100 0.103 0.000 0.902 157 G HN 0.602 nan 8.290 nan 0.000 0.538 158 F N 1.801 121.743 119.950 -0.013 0.000 2.499 158 F HA 0.600 5.127 4.527 -0.000 0.000 0.333 158 F C 0.056 175.848 175.800 -0.014 0.000 1.138 158 F CA -0.786 57.206 58.000 -0.012 0.000 0.945 158 F CB 2.200 41.191 39.000 -0.014 0.000 1.181 158 F HN 0.467 nan 8.300 nan 0.000 0.435 159 T N 4.716 118.941 114.554 -0.548 0.000 2.991 159 T HA 0.557 4.906 4.350 -0.000 0.000 0.347 159 T C -2.306 172.072 174.700 -0.536 0.000 1.122 159 T CA -1.703 60.161 62.100 -0.393 0.000 1.062 159 T CB 0.563 69.309 68.868 -0.203 0.000 1.043 159 T HN 0.323 nan 8.240 nan 0.000 0.491 176 D N 1.359 121.774 120.400 0.026 0.000 2.221 176 D HA -0.074 4.566 4.640 -0.000 0.000 0.204 176 D C 2.631 178.927 176.300 -0.006 0.000 0.982 176 D CA 1.384 55.389 54.000 0.009 0.000 0.857 176 D CB -0.169 40.622 40.800 -0.014 0.000 0.934 176 D HN 0.382 nan 8.370 nan 0.000 0.475 177 A N 1.663 124.442 122.820 -0.068 0.000 1.892 177 A HA -0.181 4.139 4.320 -0.000 0.000 0.218 177 A C 2.437 180.042 177.584 0.035 0.000 1.188 177 A CA 2.477 54.371 52.037 -0.240 0.000 0.631 177 A CB -0.803 17.723 19.000 -0.790 0.000 0.822 177 A HN 0.270 nan 8.150 nan 0.000 0.447 178 A N -0.420 122.631 122.820 0.384 0.000 1.978 178 A HA -0.189 4.131 4.320 -0.000 0.000 0.220 178 A C 1.883 179.575 177.584 0.181 0.000 1.170 178 A CA 1.758 54.048 52.037 0.422 0.000 0.636 178 A CB -0.532 18.636 19.000 0.281 0.000 0.810 178 A HN 0.701 nan 8.150 nan 0.000 0.448 179 E N -1.043 119.223 120.200 0.110 0.000 2.028 179 E HA -0.252 4.098 4.350 -0.000 0.000 0.191 179 E C 2.257 178.888 176.600 0.051 0.000 0.988 179 E CA 1.361 57.798 56.400 0.063 0.000 0.799 179 E CB -0.198 29.525 29.700 0.039 0.000 0.755 179 E HN 0.641 nan 8.360 nan 0.000 0.447 180 Q N 0.766 120.586 119.800 0.034 0.000 2.096 180 Q HA -0.154 4.186 4.340 -0.000 0.000 0.204 180 Q C 2.095 178.119 176.000 0.039 0.000 0.982 180 Q CA 2.249 58.062 55.803 0.016 0.000 0.850 180 Q CB -0.582 28.143 28.738 -0.022 0.000 0.901 180 Q HN 0.172 nan 8.270 nan 0.000 0.422 181 T N 0.747 115.349 114.554 0.080 0.000 2.665 181 T HA -0.163 4.187 4.350 -0.000 0.000 0.268 181 T C 1.764 176.510 174.700 0.076 0.000 1.035 181 T CA 1.621 63.788 62.100 0.111 0.000 1.151 181 T CB -0.323 68.684 68.868 0.232 0.000 0.862 181 T HN 0.282 nan 8.240 nan 0.000 0.438 182 I N 1.144 121.757 120.570 0.072 0.000 2.179 182 I HA -0.197 3.973 4.170 -0.000 0.000 0.242 182 I C 2.943 179.081 176.117 0.035 0.000 1.088 182 I CA 1.171 62.500 61.300 0.048 0.000 1.357 182 I CB -0.519 37.508 38.000 0.044 0.000 1.051 182 I HN 0.206 nan 8.210 nan 0.000 0.409 183 A N 0.579 123.418 122.820 0.033 0.000 1.908 183 A HA -0.261 4.059 4.320 -0.000 0.000 0.218 183 A C 1.952 179.550 177.584 0.022 0.000 1.181 183 A CA 2.205 54.256 52.037 0.024 0.000 0.627 183 A CB -0.645 18.367 19.000 0.019 0.000 0.818 183 A HN 0.386 nan 8.150 nan 0.000 0.445 184 D N 0.094 120.510 120.400 0.026 0.000 2.097 184 D HA -0.068 4.572 4.640 -0.000 0.000 0.195 184 D C 2.295 178.608 176.300 0.023 0.000 0.989 184 D CA 1.573 55.587 54.000 0.024 0.000 0.827 184 D CB -0.609 40.208 40.800 0.028 0.000 0.966 184 D HN 0.425 nan 8.370 nan 0.000 0.456 185 A N 0.992 123.828 122.820 0.027 0.000 1.917 185 A HA -0.185 4.135 4.320 -0.000 0.000 0.219 185 A C 2.408 180.002 177.584 0.016 0.000 1.182 185 A CA 1.174 53.223 52.037 0.021 0.000 0.633 185 A CB -0.779 18.235 19.000 0.023 0.000 0.819 185 A HN 0.202 nan 8.150 nan 0.000 0.448 186 I N -0.510 120.070 120.570 0.018 0.000 2.133 186 I HA -0.247 3.923 4.170 -0.000 0.000 0.238 186 I C 3.037 179.162 176.117 0.014 0.000 1.074 186 I CA 1.063 62.373 61.300 0.017 0.000 1.342 186 I CB -0.550 37.460 38.000 0.017 0.000 1.053 186 I HN 0.350 nan 8.210 nan 0.000 0.404 187 A N 0.449 123.278 122.820 0.014 0.000 1.892 187 A HA -0.201 4.119 4.320 -0.000 0.000 0.218 187 A C 2.504 180.093 177.584 0.010 0.000 1.188 187 A CA 2.014 54.059 52.037 0.013 0.000 0.631 187 A CB -1.169 17.839 19.000 0.014 0.000 0.822 187 A HN 0.256 nan 8.150 nan 0.000 0.447 188 V N -0.411 119.507 119.914 0.007 0.000 2.332 188 V HA -0.264 3.856 4.120 -0.000 0.000 0.248 188 V C 3.009 179.099 176.094 -0.006 0.000 1.055 188 V CA 2.195 64.493 62.300 -0.003 0.000 1.038 188 V CB -0.881 30.938 31.823 -0.007 0.000 0.651 188 V HN 0.648 nan 8.190 nan 0.000 0.450 189 A N -1.027 121.793 122.820 0.000 0.000 1.898 189 A HA -0.156 4.164 4.320 -0.000 0.000 0.216 189 A C 2.135 179.727 177.584 0.013 0.000 1.181 189 A CA 1.395 53.435 52.037 0.005 0.000 0.620 189 A CB -0.400 18.607 19.000 0.012 0.000 0.819 189 A HN 0.543 nan 8.150 nan 0.000 0.442 190 E N 0.167 120.375 120.200 0.013 0.000 2.118 190 E HA -0.175 4.175 4.350 -0.000 0.000 0.195 190 E C 2.244 178.853 176.600 0.015 0.000 0.992 190 E CA 1.246 57.655 56.400 0.015 0.000 0.804 190 E CB -0.548 29.161 29.700 0.014 0.000 0.741 190 E HN 0.585 nan 8.360 nan 0.000 0.458 191 A N -0.059 122.768 122.820 0.012 0.000 2.070 191 A HA 0.027 4.347 4.320 -0.000 0.000 0.220 191 A C 1.888 179.482 177.584 0.017 0.000 1.159 191 A CA 1.916 53.961 52.037 0.013 0.000 0.656 191 A CB -0.196 18.808 19.000 0.008 0.000 0.800 191 A HN 0.380 nan 8.150 nan 0.000 0.453 192 G N -2.997 105.815 108.800 0.019 0.000 2.260 192 G HA2 0.241 4.201 3.960 -0.000 0.000 0.179 192 G HA3 0.241 4.201 3.960 -0.000 0.000 0.179 192 G C 0.396 175.323 174.900 0.044 0.000 1.002 192 G CA 0.072 45.193 45.100 0.035 0.000 0.677 192 G HN 1.511 nan 8.290 nan 0.000 0.486 193 A N 0.694 123.516 122.820 0.003 0.000 2.567 193 A HA 0.456 4.776 4.320 -0.000 0.000 0.240 193 A C 1.041 178.611 177.584 -0.023 0.000 1.053 193 A CA 1.032 53.033 52.037 -0.059 0.000 0.755 193 A CB -0.344 18.584 19.000 -0.120 0.000 0.978 193 A HN 1.528 nan 8.150 nan 0.000 0.507 194 F N 1.161 121.121 119.950 0.016 0.000 2.780 194 F HA 0.537 5.064 4.527 -0.000 0.000 0.299 194 F C 0.621 176.447 175.800 0.042 0.000 1.146 194 F CA -0.029 57.980 58.000 0.016 0.000 1.428 194 F CB -0.322 38.674 39.000 -0.007 0.000 1.115 194 F HN 0.769 nan 8.300 nan 0.000 0.583 195 A N -0.283 122.274 122.820 -0.438 0.000 2.544 195 A HA 0.668 4.988 4.320 -0.000 0.000 0.291 195 A C -1.793 175.638 177.584 -0.255 0.000 1.055 195 A CA -0.247 51.657 52.037 -0.222 0.000 0.651 195 A CB 0.982 19.922 19.000 -0.100 0.000 1.296 195 A HN 0.472 nan 8.150 nan 0.000 0.431 196 V N 0.472 120.320 119.914 -0.110 0.000 2.808 196 V HA 0.659 4.778 4.120 -0.000 0.000 0.308 196 V C -1.272 174.769 176.094 -0.088 0.000 1.099 196 V CA -0.490 61.749 62.300 -0.100 0.000 0.920 196 V CB 1.962 33.753 31.823 -0.054 0.000 1.014 196 V HN 1.144 nan 8.190 nan 0.000 0.425 197 V N 7.719 127.561 119.914 -0.120 0.000 2.439 197 V HA 0.487 4.606 4.120 -0.000 0.000 0.282 197 V C 0.207 176.236 176.094 -0.109 0.000 1.039 197 V CA -0.261 61.923 62.300 -0.195 0.000 0.913 197 V CB 1.517 33.069 31.823 -0.452 0.000 0.983 197 V HN 0.864 nan 8.190 nan 0.000 0.460 198 M N 5.173 124.713 119.600 -0.101 0.000 2.044 198 M HA 0.457 4.937 4.480 -0.000 0.000 0.333 198 M C -0.300 175.962 176.300 -0.063 0.000 1.004 198 M CA -0.077 55.201 55.300 -0.037 0.000 0.954 198 M CB 1.306 33.880 32.600 -0.043 0.000 1.468 198 M HN 0.661 nan 8.290 nan 0.000 0.414 199 E N 5.251 125.453 120.200 0.004 0.000 2.158 199 E HA 0.363 4.713 4.350 -0.000 0.000 0.271 199 E C -0.163 176.411 176.600 -0.043 0.000 0.911 199 E CA -0.454 55.921 56.400 -0.042 0.000 0.767 199 E CB 0.852 30.609 29.700 0.096 0.000 1.120 199 E HN 0.713 nan 8.360 nan 0.000 0.405 200 M N 2.070 121.585 119.600 -0.143 0.000 2.353 200 M HA -0.140 4.340 4.480 -0.000 0.000 0.202 200 M C -1.354 174.946 176.300 -0.001 0.000 0.434 200 M CA 0.499 55.744 55.300 -0.091 0.000 0.477 200 M CB -2.478 30.093 32.600 -0.049 0.000 1.592 200 M HN 0.240 nan 8.290 nan 0.000 0.895 201 V N 0.758 120.641 119.914 -0.051 0.000 2.417 201 V HA 0.415 4.535 4.120 -0.000 0.000 0.291 201 V C -1.754 174.226 176.094 -0.191 0.000 1.024 201 V CA -1.514 60.731 62.300 -0.092 0.000 0.861 201 V CB 2.076 33.870 31.823 -0.048 0.000 0.985 201 V HN 0.170 nan 8.190 nan 0.000 0.436 202 P HA -0.017 nan 4.420 nan 0.000 0.256 202 P C 0.829 178.012 177.300 -0.195 0.000 1.173 202 P CA 0.479 63.392 63.100 -0.312 0.000 0.768 202 P CB 0.604 32.003 31.700 -0.502 0.000 0.758 203 A N 5.128 127.873 122.820 -0.126 0.000 1.940 203 A HA -0.299 4.021 4.320 -0.000 0.000 0.221 203 A C 2.055 179.588 177.584 -0.085 0.000 1.190 203 A CA 1.730 53.714 52.037 -0.088 0.000 0.647 203 A CB -0.758 18.206 19.000 -0.061 0.000 0.821 203 A HN 0.474 nan 8.150 nan 0.000 0.457 204 E N -0.716 119.429 120.200 -0.093 0.000 2.023 204 E HA -0.191 4.159 4.350 -0.000 0.000 0.196 204 E C 2.037 178.591 176.600 -0.077 0.000 1.003 204 E CA 1.374 57.729 56.400 -0.076 0.000 0.809 204 E CB -0.776 28.878 29.700 -0.075 0.000 0.755 204 E HN 0.530 nan 8.360 nan 0.000 0.449 205 L N 1.039 122.195 121.223 -0.112 0.000 2.042 205 L HA -0.128 4.212 4.340 -0.000 0.000 0.210 205 L C 2.196 179.025 176.870 -0.068 0.000 1.076 205 L CA 2.179 56.963 54.840 -0.095 0.000 0.749 205 L CB -0.984 40.982 42.059 -0.154 0.000 0.893 205 L HN 0.075 nan 8.230 nan 0.000 0.432 206 A N -1.424 121.346 122.820 -0.084 0.000 1.865 206 A HA -0.249 4.071 4.320 -0.000 0.000 0.217 206 A C 2.244 179.800 177.584 -0.046 0.000 1.191 206 A CA 2.584 54.584 52.037 -0.062 0.000 0.623 206 A CB -1.366 17.589 19.000 -0.074 0.000 0.826 206 A HN 0.524 nan 8.150 nan 0.000 0.444 207 T N 0.321 114.847 114.554 -0.047 0.000 2.624 207 T HA -0.289 4.061 4.350 -0.000 0.000 0.268 207 T C 2.052 176.739 174.700 -0.022 0.000 1.041 207 T CA 2.037 64.117 62.100 -0.034 0.000 1.159 207 T CB -0.448 68.400 68.868 -0.033 0.000 0.863 207 T HN 0.658 nan 8.240 nan 0.000 0.434 208 Q N 0.270 120.057 119.800 -0.022 0.000 2.002 208 Q HA -0.042 4.298 4.340 -0.000 0.000 0.204 208 Q C 2.516 178.513 176.000 -0.004 0.000 0.988 208 Q CA 1.498 57.295 55.803 -0.011 0.000 0.843 208 Q CB -0.471 28.261 28.738 -0.011 0.000 0.908 208 Q HN 0.496 nan 8.270 nan 0.000 0.420 209 I N 0.739 121.305 120.570 -0.006 0.000 2.145 209 I HA -0.362 3.808 4.170 -0.000 0.000 0.244 209 I C 2.288 178.407 176.117 0.003 0.000 1.075 209 I CA 1.502 62.803 61.300 0.001 0.000 1.332 209 I CB -0.696 37.305 38.000 0.001 0.000 1.033 209 I HN 0.315 nan 8.210 nan 0.000 0.410 210 T N 0.393 114.944 114.554 -0.004 0.000 2.684 210 T HA -0.162 4.188 4.350 -0.000 0.000 0.267 210 T C 1.849 176.557 174.700 0.014 0.000 1.036 210 T CA 1.663 63.763 62.100 0.001 0.000 1.148 210 T CB -0.754 68.106 68.868 -0.012 0.000 0.863 210 T HN 0.622 nan 8.240 nan 0.000 0.436 211 G N 0.701 109.507 108.800 0.009 0.000 2.448 211 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.218 211 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.218 211 G C 1.476 176.387 174.900 0.019 0.000 1.135 211 G CA 0.649 45.759 45.100 0.016 0.000 0.784 211 G HN 0.450 nan 8.290 nan 0.000 0.543 212 K N -0.617 119.792 120.400 0.016 0.000 2.296 212 K HA 0.213 4.533 4.320 -0.000 0.000 0.200 212 K C 0.647 177.261 176.600 0.022 0.000 1.048 212 K CA -0.112 56.186 56.287 0.018 0.000 0.966 212 K CB -0.101 32.408 32.500 0.015 0.000 0.754 212 K HN 0.194 nan 8.250 nan 0.000 0.466 213 L N 0.386 121.624 121.223 0.025 0.000 2.379 213 L HA 0.132 4.472 4.340 -0.000 0.000 0.269 213 L C 1.074 177.969 176.870 0.041 0.000 1.084 213 L CA -0.454 54.404 54.840 0.030 0.000 0.802 213 L CB 1.764 43.839 42.059 0.028 0.000 1.175 213 L HN 0.034 nan 8.230 nan 0.000 0.448 214 T N 1.456 116.036 114.554 0.044 0.000 3.014 214 T HA 0.139 4.489 4.350 -0.000 0.000 0.263 214 T C 0.685 175.428 174.700 0.071 0.000 1.078 214 T CA 0.356 62.488 62.100 0.053 0.000 1.135 214 T CB -0.126 68.770 68.868 0.047 0.000 0.895 214 T HN 0.484 nan 8.240 nan 0.000 0.480 215 I N -0.144 120.469 120.570 0.071 0.000 2.612 215 I HA 0.483 4.653 4.170 -0.000 0.000 0.295 215 I C -2.993 173.191 176.117 0.112 0.000 1.011 215 I CA -3.065 58.292 61.300 0.095 0.000 1.326 215 I CB 0.688 38.733 38.000 0.073 0.000 1.427 215 I HN -0.255 nan 8.210 nan 0.000 0.537 216 P HA 0.092 nan 4.420 nan 0.000 0.269 216 P C -0.772 176.610 177.300 0.137 0.000 1.209 216 P CA 0.021 63.258 63.100 0.229 0.000 0.776 216 P CB 0.555 32.528 31.700 0.454 0.000 0.876 217 T N -0.819 113.773 114.554 0.064 0.000 2.779 217 T HA 0.526 4.876 4.350 -0.000 0.000 0.280 217 T C -0.463 174.172 174.700 -0.108 0.000 0.987 217 T CA -0.732 61.358 62.100 -0.018 0.000 0.966 217 T CB 0.442 69.291 68.868 -0.032 0.000 0.933 217 T HN 0.004 nan 8.240 nan 0.000 0.442 218 V N 3.181 123.011 119.914 -0.140 0.000 2.347 218 V HA 0.737 4.857 4.120 -0.000 0.000 0.280 218 V C 0.904 176.871 176.094 -0.212 0.000 1.021 218 V CA -0.578 61.565 62.300 -0.263 0.000 0.847 218 V CB 1.221 32.893 31.823 -0.251 0.000 0.990 218 V HN 1.197 nan 8.190 nan 0.000 0.444 219 G N 3.535 112.205 108.800 -0.216 0.000 2.434 219 G HA2 0.770 4.730 3.960 -0.000 0.000 0.330 219 G HA3 0.770 4.730 3.960 -0.000 0.000 0.330 219 G C -1.097 173.714 174.900 -0.148 0.000 1.155 219 G CA -0.587 44.415 45.100 -0.164 0.000 0.917 219 G HN 0.759 nan 8.290 nan 0.000 0.493 220 I N 0.477 120.961 120.570 -0.143 0.000 2.586 220 I HA 0.479 4.649 4.170 -0.000 0.000 0.281 220 I C 0.551 176.518 176.117 -0.249 0.000 1.145 220 I CA 0.348 61.568 61.300 -0.134 0.000 1.073 220 I CB 0.845 38.755 38.000 -0.150 0.000 1.238 220 I HN 1.200 nan 8.210 nan 0.000 0.461 221 G N 4.801 113.533 108.800 -0.114 0.000 2.225 221 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.264 221 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.264 221 G C 0.455 175.290 174.900 -0.109 0.000 1.060 221 G CA 0.385 45.417 45.100 -0.113 0.000 0.833 221 G HN 1.234 nan 8.290 nan 0.000 0.498 222 A N -0.956 121.815 122.820 -0.083 0.000 2.469 222 A HA 0.776 5.096 4.320 -0.000 0.000 0.245 222 A C 1.766 179.309 177.584 -0.068 0.000 1.221 222 A CA 1.411 53.397 52.037 -0.085 0.000 0.946 222 A CB 0.361 19.305 19.000 -0.094 0.000 1.049 222 A HN 2.610 nan 8.150 nan 0.000 0.529 223 G N -0.007 108.765 108.800 -0.046 0.000 2.592 223 G HA2 -0.031 3.929 3.960 -0.000 0.000 0.684 223 G HA3 -0.031 3.929 3.960 -0.000 0.000 0.684 223 G C -1.922 172.950 174.900 -0.046 0.000 1.291 223 G CA -0.140 44.936 45.100 -0.040 0.000 0.891 223 G HN 0.119 nan 8.290 nan 0.000 0.544 224 P HA 0.085 nan 4.420 nan 0.000 0.240 224 P C 0.314 177.579 177.300 -0.059 0.000 1.190 224 P CA 0.369 63.440 63.100 -0.048 0.000 0.781 224 P CB 0.186 31.866 31.700 -0.034 0.000 0.931 225 N N 0.624 119.292 118.700 -0.054 0.000 3.298 225 N HA 0.146 4.886 4.740 -0.000 0.000 0.292 225 N C -0.592 174.882 175.510 -0.061 0.000 1.271 225 N CA 0.135 53.155 53.050 -0.050 0.000 1.184 225 N CB -0.314 38.150 38.487 -0.038 0.000 1.452 225 N HN 0.147 nan 8.380 nan 0.000 0.534 226 C N -0.686 118.562 119.300 -0.086 0.000 2.698 226 C HA 0.260 4.720 4.460 -0.000 0.000 0.309 226 C C 1.449 176.355 174.990 -0.140 0.000 1.186 226 C CA -1.012 57.941 59.018 -0.108 0.000 1.474 226 C CB 2.346 29.999 27.740 -0.144 0.000 2.020 226 C HN 0.509 nan 8.230 nan 0.000 0.474 227 D N 0.874 121.210 120.400 -0.107 0.000 2.265 227 D HA 0.034 4.674 4.640 -0.000 0.000 0.208 227 D C 0.877 176.948 176.300 -0.383 0.000 0.977 227 D CA 1.485 55.435 54.000 -0.083 0.000 0.871 227 D CB 0.304 41.169 40.800 0.108 0.000 0.925 227 D HN 0.840 nan 8.370 nan 0.000 0.485 228 G N -0.737 107.696 108.800 -0.612 0.000 2.660 228 G HA2 0.424 4.384 3.960 -0.000 0.000 0.290 228 G HA3 0.424 4.384 3.960 -0.000 0.000 0.290 228 G C -1.448 173.053 174.900 -0.666 0.000 1.432 228 G CA -0.578 43.876 45.100 -1.076 0.000 0.807 228 G HN -0.231 nan 8.290 nan 0.000 0.485 229 Q N -0.860 118.592 119.800 -0.580 0.000 2.413 229 Q HA 0.731 5.071 4.340 -0.000 0.000 0.276 229 Q C -1.253 174.584 176.000 -0.272 0.000 1.099 229 Q CA -0.961 54.643 55.803 -0.332 0.000 0.814 229 Q CB 2.836 31.442 28.738 -0.219 0.000 1.379 229 Q HN 0.686 nan 8.270 nan 0.000 0.436 230 V N 2.605 122.418 119.914 -0.169 0.000 2.808 230 V HA 0.654 4.774 4.120 -0.000 0.000 0.308 230 V C -1.678 174.401 176.094 -0.025 0.000 1.099 230 V CA -0.475 61.765 62.300 -0.100 0.000 0.920 230 V CB 1.952 33.718 31.823 -0.094 0.000 1.014 230 V HN 0.659 nan 8.190 nan 0.000 0.425 231 L N 5.369 126.596 121.223 0.005 0.000 2.424 231 L HA 0.599 4.939 4.340 -0.000 0.000 0.258 231 L C -0.756 176.177 176.870 0.106 0.000 0.995 231 L CA -1.117 53.770 54.840 0.078 0.000 0.821 231 L CB 2.493 44.593 42.059 0.068 0.000 1.383 231 L HN 0.395 nan 8.230 nan 0.000 0.410 232 V N 2.560 122.564 119.914 0.151 0.000 2.439 232 V HA -0.055 4.065 4.120 -0.000 0.000 0.271 232 V C 1.003 177.200 176.094 0.171 0.000 1.040 232 V CA -0.019 62.384 62.300 0.171 0.000 1.002 232 V CB 0.739 32.653 31.823 0.152 0.000 1.000 232 V HN 0.960 nan 8.190 nan 0.000 0.477 233 W N 5.042 126.421 121.300 0.132 0.000 2.313 233 W HA -0.230 4.429 4.660 -0.000 0.000 0.293 233 W C 1.271 177.892 176.519 0.170 0.000 1.216 233 W CA 1.208 58.641 57.345 0.146 0.000 1.223 233 W CB -0.436 29.225 29.460 0.336 0.000 1.138 233 W HN 0.655 nan 8.180 nan 0.000 0.535 234 Q N 1.229 120.702 119.800 -0.545 0.000 2.096 234 Q HA -0.181 4.159 4.340 -0.000 0.000 0.204 234 Q C 1.660 177.613 176.000 -0.077 0.000 0.982 234 Q CA 2.042 57.492 55.803 -0.588 0.000 0.850 234 Q CB -0.939 27.501 28.738 -0.496 0.000 0.901 234 Q HN 0.443 nan 8.270 nan 0.000 0.422 235 D N 0.454 120.851 120.400 -0.005 0.000 2.120 235 D HA -0.083 4.557 4.640 -0.000 0.000 0.202 235 D C 1.883 178.250 176.300 0.111 0.000 0.972 235 D CA 0.534 54.560 54.000 0.042 0.000 0.837 235 D CB -0.250 40.567 40.800 0.027 0.000 0.989 235 D HN 0.096 nan 8.370 nan 0.000 0.469 236 M N 1.114 120.807 119.600 0.156 0.000 2.144 236 M HA -0.131 4.348 4.480 -0.000 0.000 0.260 236 M C 1.192 177.651 176.300 0.265 0.000 1.067 236 M CA 1.475 56.896 55.300 0.202 0.000 1.095 236 M CB -0.311 32.364 32.600 0.124 0.000 1.365 236 M HN -0.046 nan 8.290 nan 0.000 0.406 237 A N -0.752 122.254 122.820 0.310 0.000 2.535 237 A HA 0.488 4.807 4.320 -0.000 0.000 0.273 237 A C 1.046 178.812 177.584 0.303 0.000 1.267 237 A CA 0.404 52.647 52.037 0.344 0.000 0.940 237 A CB -0.850 18.440 19.000 0.483 0.000 1.101 237 A HN 0.742 nan 8.150 nan 0.000 0.521 238 G N -0.871 108.056 108.800 0.211 0.000 2.352 238 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.283 238 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.283 238 G C 0.080 175.096 174.900 0.192 0.000 0.946 238 G CA 0.584 45.771 45.100 0.146 0.000 1.317 238 G HN 0.763 nan 8.290 nan 0.000 0.478 239 F N 0.643 120.582 119.950 -0.018 0.000 2.784 239 F HA 0.373 4.899 4.527 -0.000 0.000 0.323 239 F C 1.184 176.923 175.800 -0.102 0.000 1.085 239 F CA 0.530 58.500 58.000 -0.050 0.000 1.196 239 F CB 0.786 39.694 39.000 -0.153 0.000 1.053 239 F HN 0.537 nan 8.300 nan 0.000 0.578 240 S N 0.011 115.714 115.700 0.006 0.000 2.561 240 S HA 0.689 5.159 4.470 -0.000 0.000 0.303 240 S C 0.366 174.936 174.600 -0.050 0.000 1.110 240 S CA -0.340 57.831 58.200 -0.048 0.000 1.034 240 S CB 1.187 64.361 63.200 -0.043 0.000 1.010 240 S HN 0.707 nan 8.310 nan 0.000 0.482 241 G N 2.276 111.037 108.800 -0.065 0.000 2.581 241 G HA2 0.084 4.044 3.960 -0.000 0.000 0.289 241 G HA3 0.084 4.044 3.960 -0.000 0.000 0.289 241 G C 0.618 175.491 174.900 -0.045 0.000 1.303 241 G CA 0.399 45.468 45.100 -0.051 0.000 0.931 241 G HN 2.051 nan 8.290 nan 0.000 0.555 242 A N -1.316 121.482 122.820 -0.038 0.000 2.548 242 A HA 0.527 4.847 4.320 -0.000 0.000 0.236 242 A C 1.102 178.664 177.584 -0.037 0.000 1.246 242 A CA 1.291 53.308 52.037 -0.034 0.000 0.993 242 A CB 0.281 19.262 19.000 -0.032 0.000 1.209 242 A HN 0.829 nan 8.150 nan 0.000 0.570 243 K N 2.220 122.597 120.400 -0.039 0.000 2.111 243 K HA 0.147 4.467 4.320 -0.000 0.000 0.249 243 K C -0.253 176.304 176.600 -0.072 0.000 1.157 243 K CA 0.171 56.430 56.287 -0.048 0.000 1.048 243 K CB -0.418 32.059 32.500 -0.038 0.000 1.498 243 K HN 0.172 nan 8.250 nan 0.000 0.344 244 T N 2.470 116.974 114.554 -0.083 0.000 2.727 244 T HA 0.323 4.672 4.350 -0.000 0.000 0.295 244 T C 0.313 174.902 174.700 -0.184 0.000 0.915 244 T CA -0.549 61.475 62.100 -0.128 0.000 1.066 244 T CB 0.408 69.217 68.868 -0.098 0.000 0.891 244 T HN 0.567 nan 8.240 nan 0.000 0.516 245 A N 5.493 128.131 122.820 -0.303 0.000 2.387 245 A HA 0.332 4.652 4.320 -0.000 0.000 0.251 245 A C 1.686 179.041 177.584 -0.381 0.000 1.113 245 A CA -0.194 51.626 52.037 -0.362 0.000 0.794 245 A CB 0.183 18.847 19.000 -0.560 0.000 1.069 245 A HN 1.019 nan 8.150 nan 0.000 0.506 246 R N -0.473 119.895 120.500 -0.220 0.000 2.083 246 R HA -0.188 4.152 4.340 -0.000 0.000 0.237 246 R C 1.597 177.846 176.300 -0.084 0.000 1.137 246 R CA 2.178 58.221 56.100 -0.094 0.000 0.951 246 R CB -0.637 29.680 30.300 0.029 0.000 0.851 246 R HN 0.882 nan 8.270 nan 0.000 0.434 247 F N -0.398 119.557 119.950 0.008 0.000 2.771 247 F HA 0.159 4.686 4.527 -0.000 0.000 0.299 247 F C 0.325 176.137 175.800 0.019 0.000 1.177 247 F CA -0.249 57.755 58.000 0.008 0.000 1.450 247 F CB -0.121 38.883 39.000 0.007 0.000 1.114 247 F HN -0.324 nan 8.300 nan 0.000 0.587 248 V N 1.913 121.599 119.914 -0.379 0.000 2.435 248 V HA 0.277 4.397 4.120 -0.000 0.000 0.290 248 V C -0.226 175.824 176.094 -0.074 0.000 1.030 248 V CA -1.208 60.981 62.300 -0.185 0.000 0.881 248 V CB 1.646 33.281 31.823 -0.314 0.000 0.983 248 V HN 0.194 nan 8.190 nan 0.000 0.445 249 K N 4.332 124.760 120.400 0.047 0.000 2.265 249 K HA 0.474 4.793 4.320 -0.000 0.000 0.267 249 K C -0.126 176.510 176.600 0.059 0.000 0.994 249 K CA -0.744 55.542 56.287 -0.003 0.000 0.860 249 K CB 0.979 33.452 32.500 -0.044 0.000 1.099 249 K HN 0.600 nan 8.250 nan 0.000 0.448 250 R N 4.045 124.529 120.500 -0.027 0.000 2.351 250 R HA 0.055 4.395 4.340 -0.000 0.000 0.321 250 R C -0.306 175.998 176.300 0.007 0.000 1.182 250 R CA 0.056 56.180 56.100 0.039 0.000 1.011 250 R CB 0.118 30.418 30.300 0.001 0.000 1.048 250 R HN 0.659 nan 8.270 nan 0.000 0.490 251 Y N 2.311 122.630 120.300 0.032 0.000 2.578 251 Y HA 0.180 4.730 4.550 -0.000 0.000 0.297 251 Y C 0.824 176.753 175.900 0.049 0.000 1.176 251 Y CA 0.804 58.924 58.100 0.033 0.000 1.315 251 Y CB 0.495 38.974 38.460 0.032 0.000 1.031 251 Y HN 0.666 nan 8.280 nan 0.000 0.524 252 A N -0.890 122.037 122.820 0.178 0.000 2.361 252 A HA 0.418 4.738 4.320 -0.000 0.000 0.297 252 A C -1.633 176.030 177.584 0.131 0.000 1.036 252 A CA -0.511 51.612 52.037 0.142 0.000 0.589 252 A CB 0.106 19.209 19.000 0.172 0.000 1.418 252 A HN -0.069 nan 8.150 nan 0.000 0.539 253 D N -0.009 120.462 120.400 0.118 0.000 2.886 253 D HA 0.414 5.054 4.640 -0.000 0.000 0.355 253 D C 0.861 177.242 176.300 0.136 0.000 1.274 253 D CA 0.192 54.255 54.000 0.104 0.000 0.836 253 D CB 0.345 41.179 40.800 0.057 0.000 1.109 253 D HN 0.232 nan 8.370 nan 0.000 0.488 254 V N 0.646 120.695 119.914 0.225 0.000 2.469 254 V HA -0.083 4.037 4.120 -0.000 0.000 0.251 254 V C 2.481 178.750 176.094 0.293 0.000 1.064 254 V CA 2.168 64.648 62.300 0.300 0.000 1.066 254 V CB -0.563 31.526 31.823 0.443 0.000 0.667 254 V HN 0.529 nan 8.190 nan 0.000 0.461 255 G N 0.296 109.214 108.800 0.196 0.000 2.433 255 G HA2 -0.140 3.820 3.960 -0.000 0.000 0.216 255 G HA3 -0.140 3.820 3.960 -0.000 0.000 0.216 255 G C 1.658 176.493 174.900 -0.108 0.000 1.186 255 G CA 0.892 45.886 45.100 -0.176 0.000 0.779 255 G HN 0.562 nan 8.290 nan 0.000 0.543 256 G N 0.340 109.119 108.800 -0.035 0.000 2.446 256 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.217 256 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.217 256 G C 1.631 176.530 174.900 -0.002 0.000 1.168 256 G CA 1.163 46.248 45.100 -0.025 0.000 0.771 256 G HN 0.359 nan 8.290 nan 0.000 0.551 257 E N -0.111 120.109 120.200 0.034 0.000 2.171 257 E HA -0.120 4.230 4.350 -0.000 0.000 0.197 257 E C 2.462 179.084 176.600 0.036 0.000 0.997 257 E CA 0.726 57.152 56.400 0.044 0.000 0.810 257 E CB -0.228 29.515 29.700 0.073 0.000 0.738 257 E HN 0.380 nan 8.360 nan 0.000 0.467 258 L N 0.891 122.136 121.223 0.037 0.000 2.156 258 L HA -0.069 4.271 4.340 -0.000 0.000 0.208 258 L C 2.210 179.073 176.870 -0.012 0.000 1.095 258 L CA 1.339 56.194 54.840 0.026 0.000 0.770 258 L CB -0.199 41.885 42.059 0.041 0.000 0.914 258 L HN -0.058 nan 8.230 nan 0.000 0.439 259 R N -0.562 119.918 120.500 -0.035 0.000 2.073 259 R HA -0.123 4.217 4.340 -0.000 0.000 0.234 259 R C 2.279 178.576 176.300 -0.006 0.000 1.134 259 R CA 1.667 57.748 56.100 -0.032 0.000 0.952 259 R CB -0.395 29.879 30.300 -0.044 0.000 0.850 259 R HN 0.403 nan 8.270 nan 0.000 0.433 260 R N 0.848 121.348 120.500 0.000 0.000 2.070 260 R HA -0.007 4.332 4.340 -0.000 0.000 0.233 260 R C 2.282 178.593 176.300 0.019 0.000 1.137 260 R CA 1.469 57.575 56.100 0.010 0.000 0.945 260 R CB -1.146 29.160 30.300 0.010 0.000 0.845 260 R HN 0.194 nan 8.270 nan 0.000 0.430 261 A N 2.093 124.921 122.820 0.014 0.000 1.940 261 A HA -0.216 4.104 4.320 -0.000 0.000 0.221 261 A C 2.586 180.190 177.584 0.033 0.000 1.190 261 A CA 2.687 54.729 52.037 0.008 0.000 0.647 261 A CB -0.816 18.179 19.000 -0.009 0.000 0.821 261 A HN 0.524 nan 8.150 nan 0.000 0.457 262 A N -1.056 121.786 122.820 0.037 0.000 1.872 262 A HA -0.024 4.296 4.320 -0.000 0.000 0.214 262 A C 2.284 179.942 177.584 0.124 0.000 1.187 262 A CA 1.688 53.779 52.037 0.089 0.000 0.614 262 A CB -0.514 18.515 19.000 0.050 0.000 0.826 262 A HN 0.530 nan 8.150 nan 0.000 0.442 263 M N -1.080 118.556 119.600 0.060 0.000 2.117 263 M HA -0.210 4.270 4.480 -0.000 0.000 0.262 263 M C 2.544 178.864 176.300 0.035 0.000 1.065 263 M CA 1.701 57.024 55.300 0.038 0.000 1.114 263 M CB -0.463 32.147 32.600 0.017 0.000 1.361 263 M HN 0.524 nan 8.290 nan 0.000 0.408 264 Q N -0.392 119.434 119.800 0.043 0.000 2.046 264 Q HA -0.219 4.121 4.340 -0.000 0.000 0.200 264 Q C 2.058 178.083 176.000 0.042 0.000 0.975 264 Q CA 1.790 57.613 55.803 0.033 0.000 0.836 264 Q CB -0.273 28.483 28.738 0.030 0.000 0.896 264 Q HN 0.554 nan 8.270 nan 0.000 0.428 265 Y N 0.708 120.966 120.300 -0.070 0.000 2.114 265 Y HA -0.301 4.249 4.550 -0.000 0.000 0.282 265 Y C 2.020 177.898 175.900 -0.037 0.000 1.165 265 Y CA 1.810 59.842 58.100 -0.113 0.000 1.148 265 Y CB -0.712 37.659 38.460 -0.148 0.000 0.972 265 Y HN 0.139 nan 8.280 nan 0.000 0.504 266 A N 0.221 122.929 122.820 -0.186 0.000 1.883 266 A HA -0.308 4.012 4.320 -0.000 0.000 0.217 266 A C 2.310 179.791 177.584 -0.171 0.000 1.186 266 A CA 2.098 53.987 52.037 -0.246 0.000 0.624 266 A CB -1.118 17.844 19.000 -0.064 0.000 0.822 266 A HN 0.687 nan 8.150 nan 0.000 0.444 267 Q N -0.550 119.200 119.800 -0.083 0.000 2.084 267 Q HA -0.204 4.136 4.340 -0.000 0.000 0.202 267 Q C 1.974 177.950 176.000 -0.040 0.000 0.978 267 Q CA 1.773 57.548 55.803 -0.047 0.000 0.844 267 Q CB -0.147 28.581 28.738 -0.017 0.000 0.898 267 Q HN 0.776 nan 8.270 nan 0.000 0.426 268 E N -0.669 119.511 120.200 -0.033 0.000 2.153 268 E HA -0.168 4.182 4.350 -0.000 0.000 0.194 268 E C 2.024 178.642 176.600 0.029 0.000 0.988 268 E CA 1.293 57.708 56.400 0.026 0.000 0.811 268 E CB 0.100 29.848 29.700 0.081 0.000 0.746 268 E HN 0.231 nan 8.360 nan 0.000 0.466 269 V N 1.422 121.296 119.914 -0.066 0.000 2.307 269 V HA -0.250 3.870 4.120 -0.000 0.000 0.245 269 V C 2.369 178.432 176.094 -0.052 0.000 1.045 269 V CA 1.864 64.123 62.300 -0.069 0.000 1.024 269 V CB -0.657 31.015 31.823 -0.251 0.000 0.651 269 V HN 0.295 nan 8.190 nan 0.000 0.449 270 A N 0.420 123.202 122.820 -0.064 0.000 1.930 270 A HA -0.044 4.276 4.320 -0.000 0.000 0.217 270 A C 2.200 179.772 177.584 -0.020 0.000 1.175 270 A CA 1.715 53.728 52.037 -0.040 0.000 0.627 270 A CB -0.914 18.062 19.000 -0.039 0.000 0.815 270 A HN 0.568 nan 8.150 nan 0.000 0.443 271 G N -1.924 106.870 108.800 -0.010 0.000 3.026 271 G HA2 0.356 4.316 3.960 -0.000 0.000 0.208 271 G HA3 0.356 4.316 3.960 -0.000 0.000 0.208 271 G C 1.198 176.104 174.900 0.010 0.000 1.169 271 G CA 0.503 45.605 45.100 0.003 0.000 0.788 271 G HN 1.544 nan 8.290 nan 0.000 0.533 272 G N -0.430 108.373 108.800 0.005 0.000 2.205 272 G HA2 -0.363 3.597 3.960 -0.000 0.000 0.269 272 G HA3 -0.363 3.597 3.960 -0.000 0.000 0.269 272 G C 1.532 176.446 174.900 0.024 0.000 0.977 272 G CA 1.271 46.372 45.100 0.002 0.000 0.652 272 G HN 1.330 nan 8.290 nan 0.000 0.539 273 V N -2.027 117.922 119.914 0.057 0.000 2.667 273 V HA 0.509 4.629 4.120 -0.000 0.000 0.252 273 V C 1.012 177.208 176.094 0.170 0.000 1.065 273 V CA 1.895 64.253 62.300 0.096 0.000 1.083 273 V CB -0.152 31.730 31.823 0.099 0.000 0.692 273 V HN 0.866 nan 8.190 nan 0.000 0.468 274 F N 2.864 122.827 119.950 0.022 0.000 2.540 274 F HA 0.847 5.374 4.527 -0.000 0.000 0.317 274 F C -2.697 173.108 175.800 0.009 0.000 1.104 274 F CA -2.971 55.050 58.000 0.034 0.000 0.913 274 F CB 2.035 41.040 39.000 0.010 0.000 1.170 274 F HN -0.042 nan 8.300 nan 0.000 0.450 275 P HA 0.388 nan 4.420 nan 0.000 0.276 275 P C -1.085 176.092 177.300 -0.204 0.000 1.244 275 P CA -0.218 62.145 63.100 -1.228 0.000 0.801 275 P CB 1.639 32.666 31.700 -1.122 0.000 1.006 276 A N 1.889 124.856 122.820 0.245 0.000 2.896 276 A HA 0.236 4.556 4.320 -0.000 0.000 0.232 276 A C 0.943 178.527 177.584 0.001 0.000 1.809 276 A CA 0.315 52.425 52.037 0.123 0.000 0.855 276 A CB -0.785 18.285 19.000 0.117 0.000 1.773 276 A HN 0.461 nan 8.150 nan 0.000 0.644 277 D N -1.063 119.296 120.400 -0.069 0.000 2.277 277 D HA 0.024 4.664 4.640 -0.000 0.000 0.209 277 D C 1.705 177.928 176.300 -0.128 0.000 0.970 277 D CA 1.096 55.052 54.000 -0.074 0.000 0.874 277 D CB -0.094 40.675 40.800 -0.053 0.000 0.982 277 D HN 0.745 nan 8.370 nan 0.000 0.504 278 E N 0.205 120.250 120.200 -0.259 0.000 2.396 278 E HA -0.151 4.198 4.350 -0.000 0.000 0.200 278 E C 0.314 176.733 176.600 -0.301 0.000 1.023 278 E CA 0.827 57.045 56.400 -0.303 0.000 0.857 278 E CB -0.162 29.302 29.700 -0.394 0.000 0.775 278 E HN 0.388 nan 8.360 nan 0.000 0.525 279 H N 0.000 119.079 119.070 0.015 0.000 2.539 279 H HA 0.000 4.556 4.556 -0.000 0.000 0.296 279 H CA 0.000 56.052 56.048 0.007 0.000 1.023 279 H CB 0.000 29.749 29.762 -0.022 0.000 1.292 279 H HN 0.000 nan 8.280 nan 0.000 0.496