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_D 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 0.000 176.395 176.300 0.159 0.000 0.893 18 R CA 0.000 56.154 56.100 0.089 0.000 0.921 18 R CB 0.000 30.280 30.300 -0.033 0.000 0.687 19 T N 1.990 116.620 114.554 0.126 0.000 2.799 19 T HA 0.362 4.712 4.350 -0.000 0.000 0.286 19 T C -0.578 174.229 174.700 0.178 0.000 0.973 19 T CA -0.566 61.610 62.100 0.125 0.000 1.035 19 T CB 1.109 70.009 68.868 0.052 0.000 0.932 19 T HN 0.184 nan 8.240 nan 0.000 0.469 20 K N 3.282 123.760 120.400 0.129 0.000 2.285 20 K HA 0.290 4.610 4.320 -0.000 0.000 0.286 20 K C 0.115 176.750 176.600 0.058 0.000 1.072 20 K CA -0.756 55.568 56.287 0.061 0.000 0.913 20 K CB 0.647 33.114 32.500 -0.055 0.000 1.067 20 K HN 0.419 nan 8.250 nan 0.000 0.479 21 I N 4.176 124.782 120.570 0.061 0.000 2.752 21 I HA -0.044 4.126 4.170 -0.000 0.000 0.289 21 I C 0.876 176.836 176.117 -0.261 0.000 1.197 21 I CA 0.707 62.034 61.300 0.046 0.000 1.432 21 I CB -0.292 37.713 38.000 0.009 0.000 1.359 21 I HN 0.470 nan 8.210 nan 0.000 0.571 22 R N 3.525 123.654 120.500 -0.619 0.000 2.888 22 R HA 0.364 4.704 4.340 -0.000 0.000 0.266 22 R C 1.239 177.098 176.300 -0.735 0.000 1.020 22 R CA -0.379 55.321 56.100 -0.666 0.000 0.963 22 R CB 0.869 30.807 30.300 -0.603 0.000 1.197 22 R HN 0.715 nan 8.270 nan 0.000 0.481 23 T N -1.298 112.901 114.554 -0.592 0.000 2.720 23 T HA -0.216 4.134 4.350 -0.000 0.000 0.268 23 T C 1.666 176.086 174.700 -0.467 0.000 1.037 23 T CA 1.882 63.604 62.100 -0.631 0.000 1.144 23 T CB -0.528 67.870 68.868 -0.784 0.000 0.864 23 T HN 0.742 nan 8.240 nan 0.000 0.444 24 H N 1.152 119.955 119.070 -0.445 0.000 2.457 24 H HA -0.120 4.436 4.556 -0.000 0.000 0.297 24 H C 1.925 177.049 175.328 -0.339 0.000 1.092 24 H CA 1.776 57.630 56.048 -0.323 0.000 1.309 24 H CB -1.162 28.434 29.762 -0.277 0.000 1.382 24 H HN 0.652 nan 8.280 nan 0.000 0.535 25 H N 0.906 119.275 119.070 -1.169 0.000 2.352 25 H HA -0.038 4.518 4.556 -0.000 0.000 0.299 25 H C 2.613 177.151 175.328 -1.317 0.000 1.097 25 H CA 1.131 56.387 56.048 -1.320 0.000 1.311 25 H CB 0.270 29.148 29.762 -1.474 0.000 1.377 25 H HN 0.230 nan 8.280 nan 0.000 0.504 26 L N 0.321 121.037 121.223 -0.845 0.000 2.131 26 L HA -0.200 4.140 4.340 -0.000 0.000 0.210 26 L C 2.609 179.410 176.870 -0.114 0.000 1.092 26 L CA 0.900 55.407 54.840 -0.555 0.000 0.759 26 L CB -0.301 41.478 42.059 -0.468 0.000 0.903 26 L HN 0.261 nan 8.230 nan 0.000 0.435 27 Q N 0.712 120.439 119.800 -0.121 0.000 2.046 27 Q HA -0.144 4.196 4.340 -0.000 0.000 0.200 27 Q C 2.294 178.318 176.000 0.040 0.000 0.975 27 Q CA 1.593 57.408 55.803 0.020 0.000 0.836 27 Q CB -0.035 28.714 28.738 0.017 0.000 0.896 27 Q HN 0.268 nan 8.270 nan 0.000 0.428 28 R N -1.020 119.449 120.500 -0.052 0.000 2.096 28 R HA -0.182 4.158 4.340 -0.000 0.000 0.240 28 R C 2.026 178.435 176.300 0.181 0.000 1.139 28 R CA 1.614 57.724 56.100 0.017 0.000 0.952 28 R CB -0.537 29.721 30.300 -0.070 0.000 0.854 28 R HN 0.374 nan 8.270 nan 0.000 0.436 29 W N 1.387 122.734 121.300 0.079 0.000 2.350 29 W HA -0.130 4.530 4.660 -0.000 0.000 0.289 29 W C 2.060 178.695 176.519 0.194 0.000 1.215 29 W CA 0.563 58.008 57.345 0.166 0.000 1.236 29 W CB -0.645 28.938 29.460 0.205 0.000 1.130 29 W HN 0.181 nan 8.180 nan 0.000 0.541 30 K N 0.281 120.916 120.400 0.390 0.000 2.097 30 K HA -0.079 4.241 4.320 -0.000 0.000 0.205 30 K C 2.177 178.899 176.600 0.202 0.000 1.050 30 K CA 1.563 58.020 56.287 0.283 0.000 0.938 30 K CB -0.176 32.463 32.500 0.232 0.000 0.718 30 K HN -0.059 nan 8.250 nan 0.000 0.442 31 A N 1.583 124.513 122.820 0.183 0.000 1.855 31 A HA -0.143 4.177 4.320 -0.000 0.000 0.215 31 A C 1.478 179.145 177.584 0.138 0.000 1.191 31 A CA 1.820 53.937 52.037 0.134 0.000 0.613 31 A CB -0.465 18.601 19.000 0.110 0.000 0.829 31 A HN 0.368 nan 8.150 nan 0.000 0.442 32 D N -0.806 119.702 120.400 0.180 0.000 2.378 32 D HA 0.179 4.819 4.640 -0.000 0.000 0.227 32 D C 1.323 177.716 176.300 0.154 0.000 1.012 32 D CA 1.111 55.206 54.000 0.158 0.000 0.905 32 D CB -0.275 40.635 40.800 0.182 0.000 0.895 32 D HN 0.665 nan 8.370 nan 0.000 0.532 33 G N 1.277 110.183 108.800 0.177 0.000 2.160 33 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.251 33 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.251 33 G C 0.087 175.086 174.900 0.167 0.000 1.008 33 G CA 0.133 45.319 45.100 0.143 0.000 0.724 33 G HN 0.518 nan 8.290 nan 0.000 0.514 34 H N 0.953 120.077 119.070 0.090 0.000 2.864 34 H HA 0.536 5.092 4.556 -0.000 0.000 0.281 34 H C 0.566 175.917 175.328 0.039 0.000 1.093 34 H CA -0.254 55.781 56.048 -0.022 0.000 1.453 34 H CB 0.382 30.017 29.762 -0.213 0.000 1.462 34 H HN 0.286 nan 8.280 nan 0.000 0.480 35 K N 6.881 127.109 120.400 -0.287 0.000 2.310 35 K HA 0.118 4.438 4.320 -0.000 0.000 0.290 35 K C -0.256 176.014 176.600 -0.551 0.000 1.077 35 K CA -0.487 55.604 56.287 -0.326 0.000 0.922 35 K CB 0.630 32.995 32.500 -0.224 0.000 1.057 35 K HN 0.551 nan 8.250 nan 0.000 0.479 36 W N 1.353 122.351 121.300 -0.503 0.000 2.436 36 W HA 0.682 5.342 4.660 -0.000 0.000 0.347 36 W C -0.724 175.659 176.519 -0.227 0.000 1.136 36 W CA -1.449 55.613 57.345 -0.472 0.000 1.286 36 W CB 0.411 29.686 29.460 -0.308 0.000 1.253 36 W HN 0.402 nan 8.180 nan 0.000 0.617 37 A N 4.136 126.957 122.820 0.001 0.000 2.317 37 A HA 0.701 5.021 4.320 -0.000 0.000 0.327 37 A C -0.943 176.689 177.584 0.081 0.000 1.178 37 A CA -1.011 50.975 52.037 -0.085 0.000 0.817 37 A CB 1.379 20.291 19.000 -0.147 0.000 1.189 37 A HN 0.816 nan 8.150 nan 0.000 0.489 38 M N 3.002 122.599 119.600 -0.005 0.000 2.311 38 M HA 0.672 5.152 4.480 -0.000 0.000 0.325 38 M C -2.073 174.204 176.300 -0.038 0.000 1.061 38 M CA -0.765 54.589 55.300 0.090 0.000 0.957 38 M CB 1.280 33.986 32.600 0.176 0.000 1.646 38 M HN 0.592 nan 8.290 nan 0.000 0.434 39 L N 3.186 124.372 121.223 -0.062 0.000 2.354 39 L HA 0.590 4.930 4.340 -0.000 0.000 0.269 39 L C -0.177 176.697 176.870 0.006 0.000 1.005 39 L CA -0.030 54.732 54.840 -0.130 0.000 0.819 39 L CB 2.387 44.138 42.059 -0.512 0.000 1.311 39 L HN 0.741 nan 8.230 nan 0.000 0.423 40 T N 2.314 116.916 114.554 0.080 0.000 2.910 40 T HA 0.794 5.144 4.350 -0.000 0.000 0.293 40 T C -0.602 174.126 174.700 0.047 0.000 1.015 40 T CA 0.081 62.194 62.100 0.023 0.000 1.094 40 T CB 0.514 69.425 68.868 0.071 0.000 0.968 40 T HN 0.796 nan 8.240 nan 0.000 0.521 41 A N 3.260 125.867 122.820 -0.355 0.000 2.549 41 A HA 0.669 4.989 4.320 -0.000 0.000 0.297 41 A C -1.374 175.860 177.584 -0.583 0.000 1.061 41 A CA -0.637 51.217 52.037 -0.304 0.000 0.690 41 A CB 1.057 20.021 19.000 -0.061 0.000 1.287 41 A HN 0.910 nan 8.150 nan 0.000 0.402 42 Y N 0.193 120.620 120.300 0.211 0.000 2.728 42 Y HA 0.334 4.884 4.550 -0.000 0.000 0.256 42 Y C -0.049 175.910 175.900 0.099 0.000 1.112 42 Y CA -0.247 57.945 58.100 0.154 0.000 1.240 42 Y CB 0.666 39.214 38.460 0.146 0.000 1.337 42 Y HN 0.824 nan 8.280 nan 0.000 0.559 43 D N -3.930 116.558 120.400 0.146 0.000 2.639 43 D HA 0.085 4.725 4.640 -0.000 0.000 0.271 43 D C 0.352 176.674 176.300 0.037 0.000 1.254 43 D CA -0.936 53.130 54.000 0.110 0.000 0.810 43 D CB 0.380 41.245 40.800 0.107 0.000 1.351 43 D HN -0.139 nan 8.370 nan 0.000 0.427 44 Y N 1.233 121.515 120.300 -0.030 0.000 2.097 44 Y HA -0.187 4.363 4.550 -0.000 0.000 0.282 44 Y C 2.142 177.978 175.900 -0.107 0.000 1.152 44 Y CA 2.477 60.545 58.100 -0.052 0.000 1.136 44 Y CB -0.447 37.996 38.460 -0.028 0.000 0.975 44 Y HN 0.414 nan 8.280 nan 0.000 0.498 45 S N -0.607 115.011 115.700 -0.137 0.000 2.368 45 S HA -0.199 4.271 4.470 -0.000 0.000 0.225 45 S C 1.904 176.241 174.600 -0.440 0.000 1.030 45 S CA 1.749 59.787 58.200 -0.271 0.000 0.999 45 S CB -0.622 62.517 63.200 -0.101 0.000 0.844 45 S HN 0.611 nan 8.310 nan 0.000 0.459 46 T N 2.317 116.581 114.554 -0.484 0.000 2.737 46 T HA -0.012 4.338 4.350 -0.000 0.000 0.265 46 T C 2.188 176.352 174.700 -0.894 0.000 1.038 46 T CA 1.205 62.794 62.100 -0.853 0.000 1.144 46 T CB -0.560 67.765 68.868 -0.906 0.000 0.866 46 T HN 0.451 nan 8.240 nan 0.000 0.434 47 A N 1.939 124.430 122.820 -0.548 0.000 1.908 47 A HA -0.170 4.150 4.320 -0.000 0.000 0.218 47 A C 2.253 179.639 177.584 -0.329 0.000 1.181 47 A CA 2.126 53.953 52.037 -0.349 0.000 0.627 47 A CB -0.604 18.278 19.000 -0.198 0.000 0.818 47 A HN 0.316 nan 8.150 nan 0.000 0.445 48 R N 0.279 120.505 120.500 -0.457 0.000 2.103 48 R HA -0.096 4.244 4.340 -0.000 0.000 0.242 48 R C 1.773 177.917 176.300 -0.260 0.000 1.142 48 R CA 2.015 57.885 56.100 -0.384 0.000 0.960 48 R CB -0.830 29.148 30.300 -0.537 0.000 0.858 48 R HN 0.593 nan 8.270 nan 0.000 0.439 49 I N -0.565 119.795 120.570 -0.349 0.000 2.142 49 I HA -0.278 3.892 4.170 -0.000 0.000 0.240 49 I C 2.042 178.112 176.117 -0.078 0.000 1.078 49 I CA 1.614 62.756 61.300 -0.265 0.000 1.343 49 I CB -0.372 37.379 38.000 -0.415 0.000 1.046 49 I HN 0.144 nan 8.210 nan 0.000 0.405 50 F N 0.700 120.520 119.950 -0.216 0.000 2.216 50 F HA -0.280 4.247 4.527 -0.000 0.000 0.300 50 F C 2.277 178.016 175.800 -0.102 0.000 1.085 50 F CA 0.999 58.900 58.000 -0.165 0.000 1.326 50 F CB -0.325 38.566 39.000 -0.182 0.000 1.027 50 F HN 0.199 nan 8.300 nan 0.000 0.497 51 D N 0.713 121.168 120.400 0.091 0.000 2.084 51 D HA -0.203 4.437 4.640 -0.000 0.000 0.196 51 D C 1.838 178.152 176.300 0.023 0.000 0.985 51 D CA 1.395 55.439 54.000 0.073 0.000 0.826 51 D CB -0.167 40.679 40.800 0.077 0.000 0.978 51 D HN 0.430 nan 8.370 nan 0.000 0.456 52 E N -0.560 119.634 120.200 -0.010 0.000 2.512 52 E HA 0.050 4.400 4.350 -0.000 0.000 0.195 52 E C 1.096 177.679 176.600 -0.028 0.000 1.083 52 E CA 0.457 56.833 56.400 -0.039 0.000 0.873 52 E CB 0.218 29.891 29.700 -0.045 0.000 0.897 52 E HN 0.262 nan 8.360 nan 0.000 0.514 53 A N 0.898 123.719 122.820 0.002 0.000 2.390 53 A HA 0.486 4.806 4.320 -0.000 0.000 0.232 53 A C 1.776 179.351 177.584 -0.016 0.000 1.233 53 A CA 0.304 52.343 52.037 0.003 0.000 0.907 53 A CB 0.088 19.116 19.000 0.047 0.000 0.967 53 A HN 0.443 nan 8.150 nan 0.000 0.512 54 G N -0.360 108.432 108.800 -0.013 0.000 2.176 54 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.253 54 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.253 54 G C 0.078 174.984 174.900 0.011 0.000 0.979 54 G CA 0.060 45.152 45.100 -0.013 0.000 0.641 54 G HN 0.348 nan 8.290 nan 0.000 0.530 55 I N 2.304 122.879 120.570 0.008 0.000 2.662 55 I HA 0.085 4.255 4.170 -0.000 0.000 0.285 55 I C 0.111 176.281 176.117 0.089 0.000 1.161 55 I CA -1.443 59.863 61.300 0.011 0.000 1.415 55 I CB 0.381 38.343 38.000 -0.064 0.000 1.385 55 I HN 0.056 nan 8.210 nan 0.000 0.552 56 P HA -0.014 nan 4.420 nan 0.000 0.221 56 P C 0.279 177.675 177.300 0.160 0.000 1.155 56 P CA 0.829 64.049 63.100 0.200 0.000 0.812 56 P CB 0.708 32.619 31.700 0.351 0.000 0.801 57 V N 1.361 121.391 119.914 0.193 0.000 2.531 57 V HA 0.339 4.459 4.120 -0.000 0.000 0.301 57 V C -0.031 176.163 176.094 0.167 0.000 1.034 57 V CA -0.703 61.709 62.300 0.187 0.000 0.865 57 V CB 2.353 34.344 31.823 0.281 0.000 0.995 57 V HN -0.087 nan 8.190 nan 0.000 0.424 58 L N 5.148 126.456 121.223 0.141 0.000 2.341 58 L HA 0.603 4.942 4.340 -0.000 0.000 0.278 58 L C -0.961 175.964 176.870 0.092 0.000 1.005 58 L CA -0.759 54.146 54.840 0.109 0.000 0.818 58 L CB 1.961 44.083 42.059 0.104 0.000 1.259 58 L HN 0.467 nan 8.230 nan 0.000 0.418 59 L N 4.674 125.933 121.223 0.060 0.000 2.294 59 L HA 0.378 4.718 4.340 -0.000 0.000 0.283 59 L C -0.332 176.539 176.870 0.001 0.000 1.015 59 L CA -0.216 54.653 54.840 0.049 0.000 0.831 59 L CB 1.569 43.665 42.059 0.062 0.000 1.217 59 L HN 0.291 nan 8.230 nan 0.000 0.420 60 V N 6.281 126.219 119.914 0.041 0.000 2.149 60 V HA 0.352 4.472 4.120 -0.000 0.000 0.245 60 V C 1.358 177.578 176.094 0.210 0.000 1.349 60 V CA 0.001 62.363 62.300 0.103 0.000 1.289 60 V CB -0.636 31.280 31.823 0.156 0.000 1.401 60 V HN 0.888 nan 8.190 nan 0.000 0.501 61 G N 2.649 111.622 108.800 0.287 0.000 2.667 61 G HA2 0.149 4.109 3.960 -0.000 0.000 0.250 61 G HA3 0.149 4.109 3.960 -0.000 0.000 0.250 61 G C 0.793 175.909 174.900 0.359 0.000 1.212 61 G CA 0.132 45.429 45.100 0.327 0.000 0.874 61 G HN 0.738 nan 8.290 nan 0.000 0.561 62 D N -1.441 119.113 120.400 0.257 0.000 2.349 62 D HA -0.112 4.528 4.640 -0.000 0.000 0.224 62 D C 2.025 178.449 176.300 0.206 0.000 1.029 62 D CA 0.799 54.938 54.000 0.232 0.000 0.879 62 D CB -0.288 40.634 40.800 0.203 0.000 0.906 62 D HN 0.315 nan 8.370 nan 0.000 0.528 63 S N -0.051 115.779 115.700 0.217 0.000 2.515 63 S HA 0.091 4.561 4.470 -0.000 0.000 0.231 63 S C 2.107 176.700 174.600 -0.012 0.000 0.987 63 S CA 0.405 58.694 58.200 0.149 0.000 0.936 63 S CB -0.241 63.087 63.200 0.213 0.000 0.766 63 S HN 0.362 nan 8.310 nan 0.000 0.528 64 A N 1.924 124.689 122.820 -0.092 0.000 2.019 64 A HA 0.255 4.575 4.320 -0.000 0.000 0.219 64 A C 2.465 179.995 177.584 -0.091 0.000 1.164 64 A CA 1.399 53.158 52.037 -0.465 0.000 0.644 64 A CB -1.313 17.535 19.000 -0.252 0.000 0.805 64 A HN 0.782 nan 8.150 nan 0.000 0.449 65 A N 0.533 123.459 122.820 0.177 0.000 1.917 65 A HA -0.276 4.044 4.320 -0.000 0.000 0.219 65 A C 1.858 179.596 177.584 0.256 0.000 1.182 65 A CA 2.205 54.484 52.037 0.403 0.000 0.633 65 A CB -0.681 18.522 19.000 0.338 0.000 0.819 65 A HN 0.696 nan 8.150 nan 0.000 0.448 66 N N -0.297 118.456 118.700 0.088 0.000 2.244 66 N HA -0.009 4.731 4.740 -0.000 0.000 0.189 66 N C 1.649 177.108 175.510 -0.086 0.000 1.047 66 N CA 1.759 54.822 53.050 0.022 0.000 0.870 66 N CB -0.601 37.898 38.487 0.021 0.000 1.041 66 N HN 0.395 nan 8.380 nan 0.000 0.448 67 V N -0.957 118.857 119.914 -0.165 0.000 2.594 67 V HA -0.090 4.030 4.120 -0.000 0.000 0.253 67 V C 1.644 177.563 176.094 -0.291 0.000 1.069 67 V CA 1.357 63.519 62.300 -0.229 0.000 1.082 67 V CB -0.796 30.849 31.823 -0.298 0.000 0.680 67 V HN 0.119 nan 8.190 nan 0.000 0.469 68 V N -1.030 118.629 119.914 -0.426 0.000 2.581 68 V HA 0.101 4.221 4.120 -0.000 0.000 0.240 68 V C 2.098 177.824 176.094 -0.614 0.000 1.054 68 V CA 1.346 63.298 62.300 -0.581 0.000 1.076 68 V CB -0.521 30.761 31.823 -0.902 0.000 0.748 68 V HN 0.538 nan 8.190 nan 0.000 0.474 69 Y N 0.428 120.623 120.300 -0.174 0.000 2.458 69 Y HA 0.488 5.038 4.550 -0.000 0.000 0.256 69 Y C 1.880 177.506 175.900 -0.456 0.000 1.159 69 Y CA 0.472 58.379 58.100 -0.322 0.000 1.261 69 Y CB 0.499 38.706 38.460 -0.421 0.000 1.119 69 Y HN 0.326 nan 8.280 nan 0.000 0.524 70 G N -0.017 108.675 108.800 -0.181 0.000 2.160 70 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.251 70 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.251 70 G C -0.268 174.566 174.900 -0.110 0.000 1.008 70 G CA -0.306 44.710 45.100 -0.141 0.000 0.724 70 G HN 0.449 nan 8.290 nan 0.000 0.514 71 Y N 0.640 120.982 120.300 0.071 0.000 2.346 71 Y HA 0.330 4.880 4.550 -0.000 0.000 0.330 71 Y C 1.651 177.568 175.900 0.028 0.000 1.178 71 Y CA -0.228 57.902 58.100 0.051 0.000 1.331 71 Y CB 0.806 39.303 38.460 0.063 0.000 1.253 71 Y HN 0.258 nan 8.280 nan 0.000 0.529 72 D N -1.156 119.355 120.400 0.186 0.000 2.328 72 D HA 0.052 4.692 4.640 -0.000 0.000 0.226 72 D C -0.026 176.321 176.300 0.078 0.000 1.066 72 D CA 0.328 54.386 54.000 0.097 0.000 0.861 72 D CB 0.102 40.940 40.800 0.063 0.000 0.912 72 D HN 0.363 nan 8.370 nan 0.000 0.521 73 T N -1.647 112.967 114.554 0.099 0.000 2.787 73 T HA 0.398 4.748 4.350 -0.000 0.000 0.297 73 T C 0.445 175.175 174.700 0.050 0.000 1.221 73 T CA -0.287 61.836 62.100 0.037 0.000 1.006 73 T CB 1.752 70.603 68.868 -0.030 0.000 1.328 73 T HN 0.035 nan 8.240 nan 0.000 0.509 74 T N -1.068 113.490 114.554 0.007 0.000 3.105 74 T HA 0.202 4.552 4.350 -0.000 0.000 0.253 74 T C 1.601 176.291 174.700 -0.018 0.000 1.047 74 T CA -0.016 62.106 62.100 0.037 0.000 0.944 74 T CB -0.196 68.713 68.868 0.068 0.000 1.016 74 T HN 0.229 nan 8.240 nan 0.000 0.544 75 V N 3.013 122.850 119.914 -0.127 0.000 2.379 75 V HA 0.014 4.134 4.120 -0.000 0.000 0.245 75 V C 0.365 176.425 176.094 -0.057 0.000 1.044 75 V CA 1.323 63.501 62.300 -0.203 0.000 1.036 75 V CB -0.940 30.676 31.823 -0.345 0.000 0.664 75 V HN 0.474 nan 8.190 nan 0.000 0.453 76 P HA -0.022 nan 4.420 nan 0.000 0.224 76 P C 0.962 178.042 177.300 -0.367 0.000 1.157 76 P CA 0.666 63.544 63.100 -0.370 0.000 0.799 76 P CB 0.238 31.496 31.700 -0.736 0.000 0.809 77 I N 1.718 122.119 120.570 -0.282 0.000 2.826 77 I HA -0.045 4.125 4.170 -0.000 0.000 0.295 77 I C 0.578 176.706 176.117 0.019 0.000 1.213 77 I CA 0.191 61.454 61.300 -0.061 0.000 1.436 77 I CB 0.516 38.608 38.000 0.153 0.000 1.348 77 I HN 0.071 nan 8.210 nan 0.000 0.570 78 S N 6.631 122.340 115.700 0.015 0.000 2.681 78 S HA 0.425 4.895 4.470 -0.000 0.000 0.299 78 S C 1.126 175.787 174.600 0.102 0.000 1.113 78 S CA -0.869 57.356 58.200 0.042 0.000 1.013 78 S CB 1.645 64.842 63.200 -0.004 0.000 1.076 78 S HN 0.659 nan 8.310 nan 0.000 0.534 79 I N 0.755 121.390 120.570 0.108 0.000 2.194 79 I HA -0.198 3.972 4.170 -0.000 0.000 0.246 79 I C 1.595 177.731 176.117 0.031 0.000 1.093 79 I CA 1.521 62.895 61.300 0.123 0.000 1.355 79 I CB -0.396 37.612 38.000 0.013 0.000 1.046 79 I HN 0.685 nan 8.210 nan 0.000 0.413 80 D N 0.599 120.999 120.400 -0.000 0.000 2.264 80 D HA -0.147 4.493 4.640 -0.000 0.000 0.208 80 D C 1.744 178.059 176.300 0.025 0.000 0.966 80 D CA 0.982 54.975 54.000 -0.011 0.000 0.864 80 D CB -0.134 40.653 40.800 -0.022 0.000 0.933 80 D HN 0.500 nan 8.370 nan 0.000 0.499 81 E N -0.367 119.852 120.200 0.031 0.000 2.489 81 E HA 0.076 4.426 4.350 -0.000 0.000 0.193 81 E C 1.724 178.467 176.600 0.238 0.000 1.057 81 E CA 0.018 56.429 56.400 0.018 0.000 0.866 81 E CB 0.510 30.062 29.700 -0.246 0.000 0.916 81 E HN 0.268 nan 8.360 nan 0.000 0.500 82 L N -0.334 121.035 121.223 0.243 0.000 2.515 82 L HA 0.108 4.448 4.340 -0.000 0.000 0.202 82 L C 2.121 179.170 176.870 0.298 0.000 1.056 82 L CA 0.079 55.129 54.840 0.349 0.000 0.847 82 L CB -0.018 42.328 42.059 0.478 0.000 1.131 82 L HN 0.073 nan 8.230 nan 0.000 0.484 83 I N 1.409 122.070 120.570 0.150 0.000 2.145 83 I HA -0.257 3.913 4.170 -0.000 0.000 0.244 83 I C -0.396 175.773 176.117 0.088 0.000 1.075 83 I CA 1.803 63.121 61.300 0.030 0.000 1.332 83 I CB -1.526 36.368 38.000 -0.176 0.000 1.033 83 I HN 0.259 nan 8.210 nan 0.000 0.410 84 P HA -0.148 nan 4.420 nan 0.000 0.218 84 P C 1.927 179.307 177.300 0.133 0.000 1.149 84 P CA 1.553 64.710 63.100 0.095 0.000 0.817 84 P CB -0.048 31.706 31.700 0.091 0.000 0.785 85 L N -0.943 120.393 121.223 0.188 0.000 2.109 85 L HA -0.086 4.254 4.340 -0.000 0.000 0.207 85 L C 2.728 179.712 176.870 0.189 0.000 1.086 85 L CA 0.994 55.959 54.840 0.209 0.000 0.760 85 L CB -1.069 41.157 42.059 0.278 0.000 0.910 85 L HN -0.170 nan 8.230 nan 0.000 0.437 86 V N 0.133 120.168 119.914 0.202 0.000 2.287 86 V HA -0.298 3.822 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 1.780 64.184 62.300 0.174 0.000 1.027 86 V CB -0.640 31.327 31.823 0.241 0.000 0.646 86 V HN 0.426 nan 8.190 nan 0.000 0.447 87 R N 0.049 120.609 120.500 0.100 0.000 2.103 87 R HA -0.155 4.185 4.340 -0.000 0.000 0.242 87 R C 2.463 178.816 176.300 0.087 0.000 1.142 87 R CA 1.611 57.753 56.100 0.070 0.000 0.960 87 R CB -0.924 29.407 30.300 0.051 0.000 0.858 87 R HN 0.611 nan 8.270 nan 0.000 0.439 88 G N 0.457 109.324 108.800 0.112 0.000 2.421 88 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.216 88 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.216 88 G C 1.484 176.494 174.900 0.183 0.000 1.171 88 G CA 0.700 45.895 45.100 0.157 0.000 0.775 88 G HN 0.138 nan 8.290 nan 0.000 0.543 89 V N 0.530 120.515 119.914 0.119 0.000 2.407 89 V HA -0.164 3.956 4.120 -0.000 0.000 0.248 89 V C 3.043 179.170 176.094 0.056 0.000 1.055 89 V CA 1.410 63.748 62.300 0.064 0.000 1.049 89 V CB -0.300 31.553 31.823 0.050 0.000 0.662 89 V HN 0.240 nan 8.190 nan 0.000 0.455 90 V N -0.081 119.865 119.914 0.054 0.000 2.407 90 V HA -0.266 3.854 4.120 -0.000 0.000 0.248 90 V C 2.532 178.671 176.094 0.074 0.000 1.055 90 V CA 2.079 64.394 62.300 0.025 0.000 1.049 90 V CB -0.771 31.040 31.823 -0.020 0.000 0.662 90 V HN 0.495 nan 8.190 nan 0.000 0.455 91 R N 0.000 120.579 120.500 0.131 0.000 2.115 91 R HA -0.004 4.336 4.340 -0.000 0.000 0.226 91 R C 2.334 178.792 176.300 0.263 0.000 1.100 91 R CA 1.137 57.357 56.100 0.200 0.000 0.980 91 R CB -0.518 29.914 30.300 0.219 0.000 0.875 91 R HN 0.563 nan 8.270 nan 0.000 0.445 92 G N 0.010 108.896 108.800 0.143 0.000 2.551 92 G HA2 0.048 4.008 3.960 -0.000 0.000 0.216 92 G HA3 0.048 4.008 3.960 -0.000 0.000 0.216 92 G C 0.353 175.173 174.900 -0.132 0.000 1.137 92 G CA 0.349 45.304 45.100 -0.242 0.000 0.798 92 G HN 0.301 nan 8.290 nan 0.000 0.536 93 A N 0.610 123.420 122.820 -0.016 0.000 2.938 93 A HA 0.675 4.995 4.320 -0.000 0.000 0.344 93 A C -1.604 176.017 177.584 0.062 0.000 1.142 93 A CA -1.048 51.013 52.037 0.039 0.000 0.841 93 A CB 1.219 20.253 19.000 0.057 0.000 1.083 93 A HN 0.011 nan 8.150 nan 0.000 0.479 94 P HA -0.111 nan 4.420 nan 0.000 0.222 94 P C 0.496 177.615 177.300 -0.301 0.000 1.147 94 P CA 1.488 64.491 63.100 -0.161 0.000 0.790 94 P CB 0.102 31.632 31.700 -0.284 0.000 0.780 95 H N -2.223 116.872 119.070 0.042 0.000 2.648 95 H HA 0.437 4.993 4.556 -0.000 0.000 0.265 95 H C 0.849 176.199 175.328 0.037 0.000 0.961 95 H CA -0.073 55.994 56.048 0.031 0.000 1.185 95 H CB -0.096 29.683 29.762 0.030 0.000 1.449 95 H HN 0.037 nan 8.280 nan 0.000 0.523 96 A N 1.067 123.981 122.820 0.156 0.000 2.286 96 A HA 0.428 4.748 4.320 -0.000 0.000 0.286 96 A C -0.431 177.229 177.584 0.128 0.000 1.097 96 A CA -0.604 51.514 52.037 0.136 0.000 0.821 96 A CB 0.267 19.352 19.000 0.142 0.000 1.076 96 A HN 0.280 nan 8.150 nan 0.000 0.490 97 L N 2.625 123.908 121.223 0.100 0.000 2.268 97 L HA 0.480 4.820 4.340 -0.000 0.000 0.289 97 L C -0.652 176.374 176.870 0.260 0.000 1.064 97 L CA 0.067 54.985 54.840 0.129 0.000 0.824 97 L CB 0.623 42.651 42.059 -0.052 0.000 1.202 97 L HN 0.331 nan 8.230 nan 0.000 0.433 98 V N 6.340 126.518 119.914 0.440 0.000 2.408 98 V HA 0.311 4.431 4.120 -0.000 0.000 0.267 98 V C 0.066 176.202 176.094 0.071 0.000 1.047 98 V CA -0.482 61.888 62.300 0.116 0.000 0.937 98 V CB 1.226 32.998 31.823 -0.085 0.000 0.999 98 V HN 0.526 nan 8.190 nan 0.000 0.472 99 V N 4.622 124.591 119.914 0.093 0.000 2.398 99 V HA 0.707 4.827 4.120 -0.000 0.000 0.286 99 V C 0.463 176.574 176.094 0.029 0.000 1.026 99 V CA -0.577 61.777 62.300 0.090 0.000 0.868 99 V CB 1.576 33.487 31.823 0.146 0.000 0.982 99 V HN 0.941 nan 8.190 nan 0.000 0.443 100 A N 3.160 125.960 122.820 -0.033 0.000 2.276 100 A HA 0.585 4.905 4.320 -0.000 0.000 0.316 100 A C -0.346 177.054 177.584 -0.306 0.000 1.229 100 A CA -0.428 51.515 52.037 -0.157 0.000 0.851 100 A CB 0.574 19.457 19.000 -0.196 0.000 1.165 100 A HN 0.794 nan 8.150 nan 0.000 0.513 101 D N 2.139 122.404 120.400 -0.225 0.000 2.304 101 D HA 0.349 4.989 4.640 -0.000 0.000 0.250 101 D C -0.255 175.857 176.300 -0.312 0.000 1.107 101 D CA 0.103 54.003 54.000 -0.167 0.000 0.885 101 D CB 0.605 41.416 40.800 0.019 0.000 1.192 101 D HN 0.430 nan 8.370 nan 0.000 0.436 102 L N 5.431 126.519 121.223 -0.225 0.000 2.319 102 L HA 0.314 4.654 4.340 -0.000 0.000 0.280 102 L C -1.841 175.154 176.870 0.210 0.000 1.099 102 L CA -1.769 53.026 54.840 -0.075 0.000 0.828 102 L CB 0.956 42.990 42.059 -0.042 0.000 1.150 102 L HN 0.285 nan 8.230 nan 0.000 0.442 103 P HA -0.059 nan 4.420 nan 0.000 0.270 103 P C -0.452 177.001 177.300 0.256 0.000 1.223 103 P CA -0.390 62.870 63.100 0.266 0.000 0.785 103 P CB 0.347 32.193 31.700 0.244 0.000 0.923 104 F N 1.776 121.774 119.950 0.081 0.000 2.608 104 F HA 0.297 4.824 4.527 -0.000 0.000 0.380 104 F C 1.490 177.229 175.800 -0.102 0.000 1.083 104 F CA 1.740 59.718 58.000 -0.036 0.000 1.266 104 F CB -0.466 38.509 39.000 -0.041 0.000 1.076 104 F HN 0.672 nan 8.300 nan 0.000 0.574 105 G N 2.964 111.046 108.800 -1.197 0.000 2.241 105 G HA2 -0.348 3.612 3.960 -0.000 0.000 0.244 105 G HA3 -0.348 3.612 3.960 -0.000 0.000 0.244 105 G C 1.056 175.662 174.900 -0.490 0.000 0.998 105 G CA 0.677 45.178 45.100 -0.998 0.000 0.621 105 G HN 1.395 nan 8.290 nan 0.000 0.519 106 S N -0.270 115.259 115.700 -0.285 0.000 2.562 106 S HA 0.330 4.800 4.470 -0.000 0.000 0.221 106 S C 1.494 176.132 174.600 0.064 0.000 0.975 106 S CA 1.487 59.668 58.200 -0.032 0.000 0.918 106 S CB -0.368 62.929 63.200 0.161 0.000 0.772 106 S HN 1.588 nan 8.310 nan 0.000 0.531 107 Y N -1.303 118.962 120.300 -0.057 0.000 2.648 107 Y HA 0.600 5.150 4.550 -0.000 0.000 0.270 107 Y C 1.118 176.994 175.900 -0.041 0.000 1.043 107 Y CA -0.572 57.511 58.100 -0.029 0.000 1.238 107 Y CB -0.133 38.325 38.460 -0.003 0.000 1.385 107 Y HN 0.049 nan 8.280 nan 0.000 0.569 108 E N 1.920 121.856 120.200 -0.440 0.000 2.274 108 E HA 0.016 4.366 4.350 -0.000 0.000 0.194 108 E C 2.199 178.730 176.600 -0.116 0.000 0.996 108 E CA 1.235 57.473 56.400 -0.270 0.000 0.840 108 E CB -0.108 29.363 29.700 -0.382 0.000 0.772 108 E HN 0.590 nan 8.360 nan 0.000 0.491 109 A N 0.375 123.128 122.820 -0.111 0.000 2.015 109 A HA 0.288 4.608 4.320 -0.000 0.000 0.219 109 A C 1.258 178.831 177.584 -0.018 0.000 1.163 109 A CA 1.352 53.352 52.037 -0.062 0.000 0.646 109 A CB -0.247 18.716 19.000 -0.063 0.000 0.806 109 A HN 0.315 nan 8.150 nan 0.000 0.448 110 G N -3.325 105.483 108.800 0.012 0.000 2.369 110 G HA2 0.242 4.202 3.960 -0.000 0.000 0.293 110 G HA3 0.242 4.202 3.960 -0.000 0.000 0.293 110 G C -2.534 172.396 174.900 0.050 0.000 1.301 110 G CA -0.155 44.963 45.100 0.030 0.000 0.913 110 G HN -0.125 nan 8.290 nan 0.000 0.540 111 P HA -0.038 nan 4.420 nan 0.000 0.215 111 P C 2.116 179.442 177.300 0.044 0.000 1.157 111 P CA 2.912 66.040 63.100 0.046 0.000 0.868 111 P CB -0.126 31.594 31.700 0.033 0.000 0.788 112 T N -0.237 114.336 114.554 0.032 0.000 2.635 112 T HA -0.233 4.117 4.350 -0.000 0.000 0.267 112 T C 1.943 176.664 174.700 0.035 0.000 1.040 112 T CA 1.882 63.999 62.100 0.028 0.000 1.156 112 T CB -1.277 67.601 68.868 0.018 0.000 0.863 112 T HN 0.073 nan 8.240 nan 0.000 0.430 113 A N 1.859 124.700 122.820 0.034 0.000 1.851 113 A HA 0.138 4.458 4.320 -0.000 0.000 0.216 113 A C 2.771 180.401 177.584 0.076 0.000 1.195 113 A CA 2.131 54.192 52.037 0.039 0.000 0.622 113 A CB -1.417 17.595 19.000 0.019 0.000 0.831 113 A HN 0.558 nan 8.150 nan 0.000 0.444 114 A N -0.708 122.174 122.820 0.103 0.000 1.917 114 A HA -0.121 4.199 4.320 -0.000 0.000 0.219 114 A C 2.170 179.818 177.584 0.107 0.000 1.182 114 A CA 1.948 54.070 52.037 0.142 0.000 0.633 114 A CB -0.672 18.415 19.000 0.145 0.000 0.819 114 A HN 0.733 nan 8.150 nan 0.000 0.448 115 L N -0.430 120.839 121.223 0.078 0.000 2.046 115 L HA -0.035 4.305 4.340 -0.000 0.000 0.208 115 L C 2.706 179.620 176.870 0.073 0.000 1.077 115 L CA 2.180 57.061 54.840 0.068 0.000 0.747 115 L CB -0.818 41.270 42.059 0.049 0.000 0.896 115 L HN 0.346 nan 8.230 nan 0.000 0.432 116 A N -0.476 122.382 122.820 0.064 0.000 1.877 116 A HA -0.123 4.197 4.320 -0.000 0.000 0.216 116 A C 2.457 180.086 177.584 0.075 0.000 1.186 116 A CA 1.945 54.014 52.037 0.053 0.000 0.620 116 A CB -1.232 17.789 19.000 0.036 0.000 0.822 116 A HN 0.574 nan 8.150 nan 0.000 0.443 117 A N -0.080 122.809 122.820 0.114 0.000 1.865 117 A HA 0.114 4.434 4.320 -0.000 0.000 0.217 117 A C 2.555 180.323 177.584 0.307 0.000 1.191 117 A CA 2.401 54.551 52.037 0.188 0.000 0.623 117 A CB -1.191 17.959 19.000 0.249 0.000 0.826 117 A HN 1.137 nan 8.150 nan 0.000 0.444 118 A N -1.036 121.942 122.820 0.263 0.000 1.908 118 A HA -0.110 4.210 4.320 -0.000 0.000 0.218 118 A C 2.279 179.997 177.584 0.222 0.000 1.181 118 A CA 2.366 54.563 52.037 0.267 0.000 0.627 118 A CB -1.395 17.686 19.000 0.136 0.000 0.818 118 A HN 0.457 nan 8.150 nan 0.000 0.445 119 T N -0.379 114.255 114.554 0.134 0.000 2.803 119 T HA -0.148 4.202 4.350 -0.000 0.000 0.269 119 T C 2.002 176.739 174.700 0.062 0.000 1.052 119 T CA 1.520 63.672 62.100 0.085 0.000 1.136 119 T CB -0.233 68.667 68.868 0.053 0.000 0.864 119 T HN 0.511 nan 8.240 nan 0.000 0.467 120 R N -0.086 120.435 120.500 0.035 0.000 2.075 120 R HA 0.034 4.374 4.340 -0.000 0.000 0.232 120 R C 2.167 178.401 176.300 -0.111 0.000 1.126 120 R CA 1.221 57.272 56.100 -0.082 0.000 0.963 120 R CB -0.475 29.707 30.300 -0.196 0.000 0.858 120 R HN 0.387 nan 8.270 nan 0.000 0.435 121 F N 0.822 120.792 119.950 0.033 0.000 2.269 121 F HA -0.154 4.373 4.527 -0.000 0.000 0.301 121 F C 2.135 177.945 175.800 0.016 0.000 1.082 121 F CA 1.008 59.028 58.000 0.032 0.000 1.360 121 F CB -0.031 38.995 39.000 0.043 0.000 1.041 121 F HN -0.024 nan 8.300 nan 0.000 0.512 122 L N -0.586 120.742 121.223 0.174 0.000 2.121 122 L HA -0.089 4.251 4.340 -0.000 0.000 0.200 122 L C 2.281 179.184 176.870 0.055 0.000 1.077 122 L CA 1.085 55.986 54.840 0.102 0.000 0.766 122 L CB -0.692 41.422 42.059 0.092 0.000 0.931 122 L HN -0.025 nan 8.230 nan 0.000 0.452 123 K N -0.282 120.142 120.400 0.040 0.000 2.097 123 K HA -0.186 4.134 4.320 -0.000 0.000 0.206 123 K C 1.629 178.231 176.600 0.004 0.000 1.049 123 K CA 1.522 57.821 56.287 0.018 0.000 0.933 123 K CB -0.019 32.488 32.500 0.011 0.000 0.717 123 K HN 0.227 nan 8.250 nan 0.000 0.442 124 D N -0.363 120.030 120.400 -0.012 0.000 2.468 124 D HA -0.014 4.626 4.640 -0.000 0.000 0.243 124 D C 1.965 178.257 176.300 -0.014 0.000 0.994 124 D CA 1.076 55.058 54.000 -0.029 0.000 0.932 124 D CB -0.263 40.494 40.800 -0.072 0.000 1.078 124 D HN 0.115 nan 8.370 nan 0.000 0.473 125 G N -0.586 108.209 108.800 -0.009 0.000 2.448 125 G HA2 0.014 3.974 3.960 -0.000 0.000 0.219 125 G HA3 0.014 3.974 3.960 -0.000 0.000 0.219 125 G C 1.258 176.182 174.900 0.041 0.000 1.127 125 G CA 1.138 46.266 45.100 0.046 0.000 0.766 125 G HN 0.711 nan 8.290 nan 0.000 0.552 126 G N -1.091 107.724 108.800 0.025 0.000 2.159 126 G HA2 0.106 4.066 3.960 -0.000 0.000 0.256 126 G HA3 0.106 4.066 3.960 -0.000 0.000 0.256 126 G C 0.602 175.440 174.900 -0.103 0.000 0.977 126 G CA 0.645 45.738 45.100 -0.013 0.000 0.652 126 G HN 1.438 nan 8.290 nan 0.000 0.531 127 A N -0.439 122.346 122.820 -0.058 0.000 2.429 127 A HA 0.560 4.880 4.320 -0.000 0.000 0.242 127 A C 1.200 178.677 177.584 -0.177 0.000 1.088 127 A CA 0.921 52.864 52.037 -0.157 0.000 0.784 127 A CB 0.153 19.171 19.000 0.030 0.000 1.038 127 A HN 0.489 nan 8.150 nan 0.000 0.501 128 H N -0.222 118.869 119.070 0.036 0.000 2.604 128 H HA 0.470 5.026 4.556 -0.000 0.000 0.273 128 H C 0.643 175.967 175.328 -0.006 0.000 0.971 128 H CA 1.094 57.137 56.048 -0.009 0.000 1.249 128 H CB 0.168 29.897 29.762 -0.055 0.000 1.449 128 H HN 0.829 nan 8.280 nan 0.000 0.512 129 A N 0.809 123.707 122.820 0.130 0.000 2.602 129 A HA 0.580 4.900 4.320 -0.000 0.000 0.290 129 A C -0.860 176.790 177.584 0.110 0.000 1.114 129 A CA -0.252 51.876 52.037 0.151 0.000 0.683 129 A CB 1.307 20.457 19.000 0.249 0.000 1.281 129 A HN 0.041 nan 8.150 nan 0.000 0.416 130 V N -1.733 118.237 119.914 0.094 0.000 3.001 130 V HA 0.821 4.941 4.120 -0.000 0.000 0.314 130 V C -0.521 175.551 176.094 -0.036 0.000 1.099 130 V CA -0.897 61.384 62.300 -0.030 0.000 0.989 130 V CB 1.860 33.632 31.823 -0.086 0.000 1.040 130 V HN 0.969 nan 8.190 nan 0.000 0.434 131 K N 2.142 122.481 120.400 -0.103 0.000 2.307 131 K HA 0.669 4.989 4.320 -0.000 0.000 0.263 131 K C -1.849 174.648 176.600 -0.173 0.000 0.973 131 K CA -0.788 55.442 56.287 -0.094 0.000 0.846 131 K CB 1.714 34.194 32.500 -0.033 0.000 1.100 131 K HN 0.739 nan 8.250 nan 0.000 0.438 132 L N 4.125 125.218 121.223 -0.217 0.000 2.294 132 L HA 0.314 4.654 4.340 -0.000 0.000 0.283 132 L C -0.542 176.167 176.870 -0.268 0.000 1.015 132 L CA -0.161 54.414 54.840 -0.442 0.000 0.831 132 L CB 1.451 43.253 42.059 -0.428 0.000 1.217 132 L HN 0.639 nan 8.230 nan 0.000 0.420 133 E N 3.521 123.587 120.200 -0.222 0.000 2.289 133 E HA 0.611 4.961 4.350 -0.000 0.000 0.278 133 E C -0.298 176.326 176.600 0.040 0.000 1.032 133 E CA 0.071 56.440 56.400 -0.052 0.000 0.854 133 E CB 0.769 30.424 29.700 -0.074 0.000 1.046 133 E HN 0.868 nan 8.360 nan 0.000 0.409 134 G N 1.787 110.591 108.800 0.008 0.000 2.350 134 G HA2 0.334 4.294 3.960 -0.000 0.000 0.304 134 G HA3 0.334 4.294 3.960 -0.000 0.000 0.304 134 G C -0.455 174.462 174.900 0.028 0.000 1.421 134 G CA -0.452 44.678 45.100 0.050 0.000 0.934 134 G HN 0.707 nan 8.290 nan 0.000 0.632 135 G N -1.183 107.634 108.800 0.030 0.000 3.019 135 G HA2 0.562 4.522 3.960 -0.000 0.000 0.152 135 G HA3 0.562 4.522 3.960 -0.000 0.000 0.152 135 G C 0.829 175.743 174.900 0.024 0.000 1.320 135 G CA 0.681 45.795 45.100 0.022 0.000 1.013 135 G HN 0.705 nan 8.290 nan 0.000 0.593 136 E N 0.319 120.530 120.200 0.019 0.000 2.086 136 E HA -0.282 4.068 4.350 -0.000 0.000 0.200 136 E C 2.453 179.067 176.600 0.023 0.000 1.012 136 E CA 1.579 57.990 56.400 0.018 0.000 0.812 136 E CB -0.242 29.466 29.700 0.014 0.000 0.743 136 E HN 0.530 nan 8.360 nan 0.000 0.453 137 R N 0.690 121.205 120.500 0.026 0.000 2.276 137 R HA -0.132 4.208 4.340 -0.000 0.000 0.243 137 R C 1.543 177.871 176.300 0.047 0.000 1.161 137 R CA 1.420 57.539 56.100 0.031 0.000 1.007 137 R CB -0.287 30.032 30.300 0.031 0.000 0.867 137 R HN 0.069 nan 8.270 nan 0.000 0.472 138 V N 0.370 120.316 119.914 0.053 0.000 3.578 138 V HA 0.233 4.353 4.120 -0.000 0.000 0.290 138 V C 2.148 178.265 176.094 0.038 0.000 1.376 138 V CA 0.476 62.817 62.300 0.068 0.000 1.083 138 V CB 0.665 32.541 31.823 0.088 0.000 0.911 138 V HN 0.444 nan 8.190 nan 0.000 0.433 139 A N 0.568 123.404 122.820 0.028 0.000 1.908 139 A HA -0.271 4.049 4.320 -0.000 0.000 0.218 139 A C 2.169 179.765 177.584 0.021 0.000 1.181 139 A CA 2.251 54.300 52.037 0.019 0.000 0.627 139 A CB -0.339 18.671 19.000 0.017 0.000 0.818 139 A HN 0.578 nan 8.150 nan 0.000 0.445 140 E N -0.700 119.515 120.200 0.026 0.000 2.058 140 E HA -0.305 4.045 4.350 -0.000 0.000 0.194 140 E C 2.202 178.820 176.600 0.030 0.000 0.997 140 E CA 1.736 58.151 56.400 0.026 0.000 0.801 140 E CB -0.102 29.614 29.700 0.027 0.000 0.746 140 E HN 0.718 nan 8.360 nan 0.000 0.450 141 Q N 0.336 120.160 119.800 0.039 0.000 2.050 141 Q HA -0.117 4.223 4.340 -0.000 0.000 0.202 141 Q C 2.207 178.220 176.000 0.021 0.000 0.980 141 Q CA 1.542 57.371 55.803 0.043 0.000 0.840 141 Q CB -0.140 28.642 28.738 0.073 0.000 0.898 141 Q HN 0.390 nan 8.270 nan 0.000 0.424 142 I N 0.294 120.868 120.570 0.007 0.000 2.208 142 I HA -0.317 3.853 4.170 -0.000 0.000 0.245 142 I C 2.221 178.346 176.117 0.012 0.000 1.097 142 I CA 1.021 62.319 61.300 -0.004 0.000 1.363 142 I CB -0.503 37.489 38.000 -0.014 0.000 1.051 142 I HN 0.214 nan 8.210 nan 0.000 0.413 143 A N -0.138 122.691 122.820 0.016 0.000 1.877 143 A HA -0.286 4.034 4.320 -0.000 0.000 0.216 143 A C 2.558 180.155 177.584 0.022 0.000 1.186 143 A CA 1.918 53.967 52.037 0.020 0.000 0.620 143 A CB -1.359 17.652 19.000 0.018 0.000 0.822 143 A HN 0.593 nan 8.150 nan 0.000 0.443 144 C N -0.285 119.029 119.300 0.024 0.000 2.413 144 C HA -0.098 4.362 4.460 -0.000 0.000 0.277 144 C C 2.692 177.700 174.990 0.029 0.000 1.228 144 C CA 1.273 60.306 59.018 0.026 0.000 1.731 144 C CB -1.565 26.193 27.740 0.029 0.000 2.042 144 C HN 0.593 nan 8.230 nan 0.000 0.468 145 L N -0.063 121.179 121.223 0.031 0.000 1.989 145 L HA -0.154 4.186 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 2.270 57.133 54.840 0.037 0.000 0.749 145 L CB -1.667 40.413 42.059 0.036 0.000 0.890 145 L HN 0.349 nan 8.230 nan 0.000 0.431 146 T N 0.182 114.760 114.554 0.040 0.000 2.699 146 T HA -0.212 4.138 4.350 -0.000 0.000 0.268 146 T C 1.931 176.652 174.700 0.034 0.000 1.036 146 T CA 1.595 63.723 62.100 0.046 0.000 1.147 146 T CB -0.234 68.662 68.868 0.045 0.000 0.862 146 T HN 0.479 nan 8.240 nan 0.000 0.446 147 A N 0.903 123.739 122.820 0.027 0.000 2.015 147 A HA 0.302 4.622 4.320 -0.000 0.000 0.219 147 A C 2.434 180.030 177.584 0.019 0.000 1.163 147 A CA 1.468 53.518 52.037 0.021 0.000 0.646 147 A CB -0.667 18.344 19.000 0.018 0.000 0.806 147 A HN 0.501 nan 8.150 nan 0.000 0.448 148 A N -1.759 121.076 122.820 0.024 0.000 2.167 148 A HA 0.395 4.715 4.320 -0.000 0.000 0.214 148 A C 1.742 179.339 177.584 0.022 0.000 1.151 148 A CA 1.283 53.334 52.037 0.023 0.000 0.735 148 A CB -0.735 18.282 19.000 0.029 0.000 0.802 148 A HN 1.823 nan 8.150 nan 0.000 0.467 149 G N -1.210 107.604 108.800 0.023 0.000 2.134 149 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.209 149 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.209 149 G C -0.034 174.882 174.900 0.027 0.000 0.993 149 G CA 0.050 45.160 45.100 0.018 0.000 0.669 149 G HN 0.427 nan 8.290 nan 0.000 0.519 150 I N 1.642 122.238 120.570 0.043 0.000 2.312 150 I HA 0.279 4.449 4.170 -0.000 0.000 0.290 150 I C -2.148 174.023 176.117 0.089 0.000 1.008 150 I CA -2.343 58.993 61.300 0.061 0.000 1.226 150 I CB 1.702 39.741 38.000 0.066 0.000 1.371 150 I HN -0.163 nan 8.210 nan 0.000 0.468 151 P HA 0.062 nan 4.420 nan 0.000 0.267 151 P C -0.805 176.707 177.300 0.354 0.000 1.209 151 P CA 0.067 63.295 63.100 0.213 0.000 0.763 151 P CB 0.618 32.317 31.700 -0.003 0.000 0.816 152 V N 5.307 125.437 119.914 0.359 0.000 2.448 152 V HA 0.403 4.523 4.120 -0.000 0.000 0.295 152 V C 0.075 176.030 176.094 -0.231 0.000 1.025 152 V CA -0.582 61.782 62.300 0.106 0.000 0.859 152 V CB 1.725 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 4.773 124.187 119.600 -0.309 0.000 2.129 153 M HA 0.711 5.191 4.480 -0.000 0.000 0.348 153 M C 0.195 176.337 176.300 -0.263 0.000 1.116 153 M CA -0.294 54.669 55.300 -0.563 0.000 1.022 153 M CB 1.059 33.442 32.600 -0.361 0.000 1.599 153 M HN 0.817 nan 8.290 nan 0.000 0.449 154 A N 3.928 126.609 122.820 -0.231 0.000 2.272 154 A HA 0.357 4.677 4.320 -0.000 0.000 0.275 154 A C -0.987 176.590 177.584 -0.011 0.000 1.096 154 A CA -0.196 51.781 52.037 -0.099 0.000 0.822 154 A CB 0.338 19.292 19.000 -0.077 0.000 1.088 154 A HN 0.978 nan 8.150 nan 0.000 0.495 155 H N -0.477 118.544 119.070 -0.081 0.000 3.277 155 H HA 0.515 5.071 4.556 -0.000 0.000 0.329 155 H C -1.112 174.201 175.328 -0.024 0.000 1.034 155 H CA -0.717 55.301 56.048 -0.051 0.000 1.530 155 H CB 0.689 30.426 29.762 -0.042 0.000 1.837 155 H HN 0.746 nan 8.280 nan 0.000 0.493 156 I N 1.894 122.604 120.570 0.233 0.000 2.846 156 I HA 0.919 5.089 4.170 -0.000 0.000 0.307 156 I C -0.343 175.859 176.117 0.141 0.000 1.053 156 I CA -0.868 60.504 61.300 0.119 0.000 1.050 156 I CB 2.336 40.380 38.000 0.072 0.000 1.239 156 I HN 0.549 nan 8.210 nan 0.000 0.439 157 G N 2.086 110.936 108.800 0.083 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 -2.207 172.782 174.900 0.148 0.000 1.375 157 G CA -0.622 44.539 45.100 0.101 0.000 0.902 157 G HN 0.602 nan 8.290 nan 0.000 0.538 158 F N 1.802 121.744 119.950 -0.014 0.000 2.499 158 F HA 0.597 5.124 4.527 -0.000 0.000 0.333 158 F C 0.058 175.849 175.800 -0.014 0.000 1.138 158 F CA -0.796 57.197 58.000 -0.013 0.000 0.945 158 F CB 2.192 41.183 39.000 -0.015 0.000 1.181 158 F HN 0.465 nan 8.300 nan 0.000 0.435 159 T N 4.706 118.939 114.554 -0.535 0.000 2.991 159 T HA 0.556 4.906 4.350 -0.000 0.000 0.347 159 T C -2.281 172.104 174.700 -0.526 0.000 1.122 159 T CA -1.689 60.179 62.100 -0.386 0.000 1.062 159 T CB 0.521 69.270 68.868 -0.199 0.000 1.043 159 T HN 0.327 nan 8.240 nan 0.000 0.491 176 D N 1.378 121.793 120.400 0.024 0.000 2.221 176 D HA -0.077 4.563 4.640 -0.000 0.000 0.204 176 D C 2.629 178.924 176.300 -0.009 0.000 0.982 176 D CA 1.393 55.397 54.000 0.007 0.000 0.857 176 D CB -0.177 40.614 40.800 -0.015 0.000 0.934 176 D HN 0.382 nan 8.370 nan 0.000 0.475 177 A N 1.659 124.437 122.820 -0.071 0.000 1.873 177 A HA -0.178 4.142 4.320 -0.000 0.000 0.218 177 A C 2.440 180.042 177.584 0.031 0.000 1.193 177 A CA 2.485 54.377 52.037 -0.242 0.000 0.629 177 A CB -0.813 17.715 19.000 -0.786 0.000 0.826 177 A HN 0.269 nan 8.150 nan 0.000 0.447 178 A N -0.413 122.635 122.820 0.380 0.000 1.978 178 A HA -0.195 4.125 4.320 -0.000 0.000 0.220 178 A C 1.883 179.575 177.584 0.180 0.000 1.170 178 A CA 1.775 54.065 52.037 0.421 0.000 0.636 178 A CB -0.541 18.628 19.000 0.283 0.000 0.810 178 A HN 0.701 nan 8.150 nan 0.000 0.448 179 E N -1.065 119.200 120.200 0.108 0.000 2.028 179 E HA -0.252 4.098 4.350 -0.000 0.000 0.191 179 E C 2.259 178.889 176.600 0.050 0.000 0.988 179 E CA 1.369 57.806 56.400 0.062 0.000 0.799 179 E CB -0.190 29.533 29.700 0.038 0.000 0.755 179 E HN 0.646 nan 8.360 nan 0.000 0.447 180 Q N 0.733 120.553 119.800 0.033 0.000 2.096 180 Q HA -0.148 4.192 4.340 -0.000 0.000 0.204 180 Q C 2.092 178.115 176.000 0.039 0.000 0.982 180 Q CA 2.210 58.023 55.803 0.016 0.000 0.850 180 Q CB -0.557 28.168 28.738 -0.022 0.000 0.901 180 Q HN 0.168 nan 8.270 nan 0.000 0.422 181 T N 0.759 115.361 114.554 0.080 0.000 2.665 181 T HA -0.161 4.189 4.350 -0.000 0.000 0.268 181 T C 1.763 176.509 174.700 0.076 0.000 1.035 181 T CA 1.610 63.777 62.100 0.111 0.000 1.151 181 T CB -0.320 68.687 68.868 0.231 0.000 0.862 181 T HN 0.278 nan 8.240 nan 0.000 0.438 182 I N 1.137 121.750 120.570 0.071 0.000 2.179 182 I HA -0.198 3.972 4.170 -0.000 0.000 0.242 182 I C 2.942 179.080 176.117 0.035 0.000 1.088 182 I CA 1.168 62.497 61.300 0.047 0.000 1.357 182 I CB -0.518 37.508 38.000 0.044 0.000 1.051 182 I HN 0.207 nan 8.210 nan 0.000 0.409 183 A N 0.581 123.420 122.820 0.032 0.000 1.908 183 A HA -0.263 4.057 4.320 -0.000 0.000 0.218 183 A C 1.951 179.548 177.584 0.022 0.000 1.181 183 A CA 2.219 54.270 52.037 0.024 0.000 0.627 183 A CB -0.647 18.365 19.000 0.019 0.000 0.818 183 A HN 0.387 nan 8.150 nan 0.000 0.445 184 D N 0.071 120.486 120.400 0.026 0.000 2.097 184 D HA -0.060 4.580 4.640 -0.000 0.000 0.195 184 D C 2.288 178.601 176.300 0.022 0.000 0.989 184 D CA 1.557 55.571 54.000 0.024 0.000 0.827 184 D CB -0.597 40.220 40.800 0.028 0.000 0.966 184 D HN 0.426 nan 8.370 nan 0.000 0.456 185 A N 0.960 123.796 122.820 0.027 0.000 1.908 185 A HA -0.178 4.142 4.320 -0.000 0.000 0.218 185 A C 2.402 179.995 177.584 0.016 0.000 1.181 185 A CA 1.124 53.173 52.037 0.021 0.000 0.627 185 A CB -0.754 18.260 19.000 0.023 0.000 0.818 185 A HN 0.198 nan 8.150 nan 0.000 0.445 186 I N -0.530 120.051 120.570 0.018 0.000 2.133 186 I HA -0.242 3.928 4.170 -0.000 0.000 0.238 186 I C 3.038 179.163 176.117 0.014 0.000 1.074 186 I CA 1.035 62.345 61.300 0.016 0.000 1.342 186 I CB -0.535 37.475 38.000 0.017 0.000 1.053 186 I HN 0.351 nan 8.210 nan 0.000 0.404 187 A N 0.462 123.290 122.820 0.014 0.000 1.892 187 A HA -0.203 4.117 4.320 -0.000 0.000 0.218 187 A C 2.500 180.090 177.584 0.009 0.000 1.188 187 A CA 2.023 54.067 52.037 0.013 0.000 0.631 187 A CB -1.179 17.830 19.000 0.014 0.000 0.822 187 A HN 0.252 nan 8.150 nan 0.000 0.447 188 V N -0.404 119.514 119.914 0.007 0.000 2.332 188 V HA -0.269 3.851 4.120 -0.000 0.000 0.248 188 V C 3.007 179.097 176.094 -0.007 0.000 1.055 188 V CA 2.216 64.514 62.300 -0.003 0.000 1.038 188 V CB -0.888 30.931 31.823 -0.007 0.000 0.651 188 V HN 0.650 nan 8.190 nan 0.000 0.450 189 A N -1.054 121.765 122.820 -0.000 0.000 1.929 189 A HA -0.151 4.169 4.320 -0.000 0.000 0.216 189 A C 2.134 179.726 177.584 0.013 0.000 1.176 189 A CA 1.365 53.405 52.037 0.005 0.000 0.628 189 A CB -0.393 18.614 19.000 0.012 0.000 0.816 189 A HN 0.542 nan 8.150 nan 0.000 0.444 190 E N 0.180 120.388 120.200 0.013 0.000 2.118 190 E HA -0.172 4.178 4.350 -0.000 0.000 0.195 190 E C 2.236 178.845 176.600 0.015 0.000 0.992 190 E CA 1.232 57.641 56.400 0.015 0.000 0.804 190 E CB -0.537 29.171 29.700 0.014 0.000 0.741 190 E HN 0.585 nan 8.360 nan 0.000 0.458 191 A N -0.038 122.789 122.820 0.012 0.000 2.070 191 A HA 0.029 4.349 4.320 -0.000 0.000 0.220 191 A C 1.883 179.477 177.584 0.017 0.000 1.159 191 A CA 1.888 53.932 52.037 0.012 0.000 0.656 191 A CB -0.199 18.805 19.000 0.007 0.000 0.800 191 A HN 0.378 nan 8.150 nan 0.000 0.453 192 G N -2.980 105.831 108.800 0.019 0.000 2.227 192 G HA2 0.237 4.197 3.960 -0.000 0.000 0.168 192 G HA3 0.237 4.197 3.960 -0.000 0.000 0.168 192 G C 0.394 175.321 174.900 0.044 0.000 1.006 192 G CA 0.074 45.194 45.100 0.034 0.000 0.684 192 G HN 1.517 nan 8.290 nan 0.000 0.489 193 A N 0.684 123.505 122.820 0.003 0.000 2.567 193 A HA 0.458 4.778 4.320 -0.000 0.000 0.240 193 A C 1.034 178.602 177.584 -0.027 0.000 1.053 193 A CA 1.027 53.028 52.037 -0.060 0.000 0.755 193 A CB -0.342 18.584 19.000 -0.122 0.000 0.978 193 A HN 1.532 nan 8.150 nan 0.000 0.507 194 F N 1.162 121.122 119.950 0.016 0.000 2.780 194 F HA 0.539 5.066 4.527 -0.000 0.000 0.299 194 F C 0.615 176.440 175.800 0.042 0.000 1.146 194 F CA -0.041 57.968 58.000 0.015 0.000 1.428 194 F CB -0.332 38.663 39.000 -0.008 0.000 1.115 194 F HN 0.770 nan 8.300 nan 0.000 0.583 195 A N -0.288 122.263 122.820 -0.448 0.000 2.544 195 A HA 0.668 4.988 4.320 -0.000 0.000 0.291 195 A C -1.792 175.638 177.584 -0.257 0.000 1.055 195 A CA -0.244 51.655 52.037 -0.230 0.000 0.651 195 A CB 0.974 19.906 19.000 -0.114 0.000 1.296 195 A HN 0.488 nan 8.150 nan 0.000 0.431 196 V N 0.455 120.303 119.914 -0.111 0.000 2.808 196 V HA 0.656 4.776 4.120 -0.000 0.000 0.308 196 V C -1.287 174.755 176.094 -0.087 0.000 1.099 196 V CA -0.488 61.752 62.300 -0.100 0.000 0.920 196 V CB 1.956 33.747 31.823 -0.054 0.000 1.014 196 V HN 1.153 nan 8.190 nan 0.000 0.425 197 V N 7.738 127.582 119.914 -0.117 0.000 2.407 197 V HA 0.480 4.600 4.120 -0.000 0.000 0.278 197 V C 0.228 176.261 176.094 -0.103 0.000 1.037 197 V CA -0.260 61.926 62.300 -0.190 0.000 0.900 197 V CB 1.515 33.071 31.823 -0.444 0.000 0.983 197 V HN 0.864 nan 8.190 nan 0.000 0.459 198 M N 5.193 124.736 119.600 -0.096 0.000 2.044 198 M HA 0.452 4.932 4.480 -0.000 0.000 0.333 198 M C -0.269 175.996 176.300 -0.059 0.000 1.004 198 M CA -0.057 55.222 55.300 -0.035 0.000 0.954 198 M CB 1.210 33.784 32.600 -0.042 0.000 1.468 198 M HN 0.659 nan 8.290 nan 0.000 0.414 199 E N 5.243 125.448 120.200 0.009 0.000 2.158 199 E HA 0.357 4.707 4.350 -0.000 0.000 0.271 199 E C -0.153 176.422 176.600 -0.041 0.000 0.911 199 E CA -0.458 55.920 56.400 -0.037 0.000 0.767 199 E CB 0.841 30.602 29.700 0.101 0.000 1.120 199 E HN 0.703 nan 8.360 nan 0.000 0.405 200 M N 2.073 121.589 119.600 -0.141 0.000 2.353 200 M HA -0.141 4.339 4.480 -0.000 0.000 0.202 200 M C -1.353 174.946 176.300 -0.002 0.000 0.434 200 M CA 0.502 55.748 55.300 -0.091 0.000 0.477 200 M CB -2.484 30.086 32.600 -0.050 0.000 1.592 200 M HN 0.239 nan 8.290 nan 0.000 0.895 201 V N 0.786 120.669 119.914 -0.052 0.000 2.398 201 V HA 0.414 4.534 4.120 -0.000 0.000 0.286 201 V C -1.746 174.231 176.094 -0.195 0.000 1.026 201 V CA -1.509 60.733 62.300 -0.096 0.000 0.868 201 V CB 2.071 33.864 31.823 -0.051 0.000 0.982 201 V HN 0.171 nan 8.190 nan 0.000 0.443 202 P HA -0.018 nan 4.420 nan 0.000 0.256 202 P C 0.823 178.006 177.300 -0.196 0.000 1.173 202 P CA 0.473 63.385 63.100 -0.314 0.000 0.768 202 P CB 0.612 32.009 31.700 -0.504 0.000 0.758 203 A N 5.091 127.835 122.820 -0.127 0.000 1.940 203 A HA -0.296 4.024 4.320 -0.000 0.000 0.221 203 A C 2.049 179.582 177.584 -0.085 0.000 1.190 203 A CA 1.723 53.706 52.037 -0.089 0.000 0.647 203 A CB -0.743 18.220 19.000 -0.062 0.000 0.821 203 A HN 0.475 nan 8.150 nan 0.000 0.457 204 E N -0.713 119.430 120.200 -0.094 0.000 2.017 204 E HA -0.185 4.165 4.350 -0.000 0.000 0.193 204 E C 2.040 178.593 176.600 -0.078 0.000 0.997 204 E CA 1.346 57.700 56.400 -0.076 0.000 0.804 204 E CB -0.776 28.879 29.700 -0.075 0.000 0.757 204 E HN 0.525 nan 8.360 nan 0.000 0.448 205 L N 1.077 122.233 121.223 -0.112 0.000 2.042 205 L HA -0.135 4.205 4.340 -0.000 0.000 0.210 205 L C 2.199 179.028 176.870 -0.069 0.000 1.076 205 L CA 2.198 56.981 54.840 -0.095 0.000 0.749 205 L CB -1.003 40.963 42.059 -0.154 0.000 0.893 205 L HN 0.076 nan 8.230 nan 0.000 0.432 206 A N -1.436 121.333 122.820 -0.085 0.000 1.865 206 A HA -0.255 4.065 4.320 -0.000 0.000 0.217 206 A C 2.245 179.802 177.584 -0.046 0.000 1.191 206 A CA 2.615 54.614 52.037 -0.062 0.000 0.623 206 A CB -1.375 17.580 19.000 -0.075 0.000 0.826 206 A HN 0.527 nan 8.150 nan 0.000 0.444 207 T N 0.309 114.834 114.554 -0.047 0.000 2.624 207 T HA -0.289 4.061 4.350 -0.000 0.000 0.268 207 T C 2.051 176.738 174.700 -0.022 0.000 1.041 207 T CA 2.045 64.124 62.100 -0.034 0.000 1.159 207 T CB -0.443 68.405 68.868 -0.033 0.000 0.863 207 T HN 0.662 nan 8.240 nan 0.000 0.434 208 Q N 0.267 120.054 119.800 -0.022 0.000 1.993 208 Q HA -0.032 4.308 4.340 -0.000 0.000 0.202 208 Q C 2.518 178.515 176.000 -0.004 0.000 0.984 208 Q CA 1.473 57.269 55.803 -0.011 0.000 0.837 208 Q CB -0.463 28.268 28.738 -0.011 0.000 0.902 208 Q HN 0.496 nan 8.270 nan 0.000 0.423 209 I N 0.756 121.323 120.570 -0.006 0.000 2.185 209 I HA -0.358 3.812 4.170 -0.000 0.000 0.246 209 I C 2.277 178.396 176.117 0.003 0.000 1.088 209 I CA 1.468 62.769 61.300 0.001 0.000 1.347 209 I CB -0.676 37.325 38.000 0.001 0.000 1.041 209 I HN 0.310 nan 8.210 nan 0.000 0.415 210 T N 0.389 114.940 114.554 -0.004 0.000 2.684 210 T HA -0.155 4.195 4.350 -0.000 0.000 0.267 210 T C 1.859 176.567 174.700 0.014 0.000 1.036 210 T CA 1.646 63.747 62.100 0.001 0.000 1.148 210 T CB -0.740 68.121 68.868 -0.012 0.000 0.863 210 T HN 0.619 nan 8.240 nan 0.000 0.436 211 G N 0.726 109.531 108.800 0.010 0.000 2.448 211 G HA2 -0.141 3.819 3.960 -0.000 0.000 0.218 211 G HA3 -0.141 3.819 3.960 -0.000 0.000 0.218 211 G C 1.470 176.381 174.900 0.019 0.000 1.135 211 G CA 0.647 45.756 45.100 0.016 0.000 0.784 211 G HN 0.451 nan 8.290 nan 0.000 0.543 212 K N -0.608 119.802 120.400 0.016 0.000 2.305 212 K HA 0.220 4.540 4.320 -0.000 0.000 0.199 212 K C 0.628 177.242 176.600 0.022 0.000 1.047 212 K CA -0.132 56.166 56.287 0.018 0.000 0.976 212 K CB -0.094 32.415 32.500 0.015 0.000 0.765 212 K HN 0.191 nan 8.250 nan 0.000 0.474 213 L N 0.412 121.650 121.223 0.025 0.000 2.379 213 L HA 0.136 4.476 4.340 -0.000 0.000 0.269 213 L C 1.052 177.947 176.870 0.041 0.000 1.084 213 L CA -0.452 54.406 54.840 0.030 0.000 0.802 213 L CB 1.777 43.853 42.059 0.028 0.000 1.175 213 L HN 0.034 nan 8.230 nan 0.000 0.448 214 T N 1.450 116.030 114.554 0.043 0.000 3.035 214 T HA 0.143 4.493 4.350 -0.000 0.000 0.259 214 T C 0.694 175.436 174.700 0.071 0.000 1.078 214 T CA 0.330 62.462 62.100 0.053 0.000 1.132 214 T CB -0.112 68.783 68.868 0.046 0.000 0.900 214 T HN 0.485 nan 8.240 nan 0.000 0.480 215 I N -0.127 120.484 120.570 0.070 0.000 2.612 215 I HA 0.479 4.649 4.170 -0.000 0.000 0.295 215 I C -2.988 173.197 176.117 0.112 0.000 1.011 215 I CA -3.042 58.315 61.300 0.094 0.000 1.326 215 I CB 0.634 38.677 38.000 0.072 0.000 1.427 215 I HN -0.254 nan 8.210 nan 0.000 0.537 216 P HA 0.092 nan 4.420 nan 0.000 0.269 216 P C -0.781 176.602 177.300 0.138 0.000 1.209 216 P CA 0.031 63.269 63.100 0.230 0.000 0.776 216 P CB 0.563 32.537 31.700 0.456 0.000 0.876 217 T N -0.805 113.788 114.554 0.065 0.000 2.779 217 T HA 0.529 4.879 4.350 -0.000 0.000 0.280 217 T C -0.476 174.160 174.700 -0.106 0.000 0.987 217 T CA -0.733 61.357 62.100 -0.016 0.000 0.966 217 T CB 0.473 69.323 68.868 -0.031 0.000 0.933 217 T HN 0.002 nan 8.240 nan 0.000 0.442 218 V N 3.154 122.984 119.914 -0.139 0.000 2.357 218 V HA 0.733 4.853 4.120 -0.000 0.000 0.284 218 V C 0.903 176.870 176.094 -0.212 0.000 1.018 218 V CA -0.588 61.554 62.300 -0.263 0.000 0.841 218 V CB 1.197 32.869 31.823 -0.253 0.000 0.991 218 V HN 1.199 nan 8.190 nan 0.000 0.437 219 G N 3.537 112.208 108.800 -0.215 0.000 2.434 219 G HA2 0.766 4.726 3.960 -0.000 0.000 0.330 219 G HA3 0.766 4.726 3.960 -0.000 0.000 0.330 219 G C -1.081 173.730 174.900 -0.148 0.000 1.155 219 G CA -0.581 44.421 45.100 -0.163 0.000 0.917 219 G HN 0.755 nan 8.290 nan 0.000 0.493 220 I N 0.499 120.984 120.570 -0.143 0.000 2.586 220 I HA 0.481 4.651 4.170 -0.000 0.000 0.281 220 I C 0.554 176.522 176.117 -0.249 0.000 1.145 220 I CA 0.334 61.553 61.300 -0.134 0.000 1.073 220 I CB 0.849 38.760 38.000 -0.148 0.000 1.238 220 I HN 1.188 nan 8.210 nan 0.000 0.461 221 G N 4.809 113.538 108.800 -0.117 0.000 2.225 221 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.264 221 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.264 221 G C 0.447 175.281 174.900 -0.110 0.000 1.060 221 G CA 0.381 45.411 45.100 -0.117 0.000 0.833 221 G HN 1.227 nan 8.290 nan 0.000 0.498 222 A N -0.969 121.801 122.820 -0.083 0.000 2.469 222 A HA 0.779 5.099 4.320 -0.000 0.000 0.245 222 A C 1.762 179.304 177.584 -0.069 0.000 1.221 222 A CA 1.413 53.399 52.037 -0.085 0.000 0.946 222 A CB 0.379 19.323 19.000 -0.094 0.000 1.049 222 A HN 2.611 nan 8.150 nan 0.000 0.529 223 G N 0.002 108.774 108.800 -0.047 0.000 2.592 223 G HA2 -0.029 3.931 3.960 -0.000 0.000 0.684 223 G HA3 -0.029 3.931 3.960 -0.000 0.000 0.684 223 G C -1.908 172.964 174.900 -0.046 0.000 1.291 223 G CA -0.142 44.934 45.100 -0.041 0.000 0.891 223 G HN 0.120 nan 8.290 nan 0.000 0.544 224 P HA 0.078 nan 4.420 nan 0.000 0.240 224 P C 0.334 177.599 177.300 -0.059 0.000 1.190 224 P CA 0.390 63.461 63.100 -0.048 0.000 0.781 224 P CB 0.178 31.857 31.700 -0.035 0.000 0.931 225 N N 0.599 119.267 118.700 -0.054 0.000 3.298 225 N HA 0.142 4.882 4.740 -0.000 0.000 0.292 225 N C -0.573 174.901 175.510 -0.060 0.000 1.271 225 N CA 0.133 53.153 53.050 -0.050 0.000 1.184 225 N CB -0.332 38.132 38.487 -0.038 0.000 1.452 225 N HN 0.152 nan 8.380 nan 0.000 0.534 226 C N -0.742 118.507 119.300 -0.086 0.000 2.698 226 C HA 0.268 4.728 4.460 -0.000 0.000 0.309 226 C C 1.461 176.368 174.990 -0.139 0.000 1.186 226 C CA -1.013 57.941 59.018 -0.108 0.000 1.474 226 C CB 2.354 30.008 27.740 -0.143 0.000 2.020 226 C HN 0.503 nan 8.230 nan 0.000 0.474 227 D N 0.838 121.174 120.400 -0.107 0.000 2.265 227 D HA 0.042 4.682 4.640 -0.000 0.000 0.208 227 D C 0.869 176.942 176.300 -0.378 0.000 0.977 227 D CA 1.450 55.402 54.000 -0.080 0.000 0.871 227 D CB 0.306 41.173 40.800 0.112 0.000 0.925 227 D HN 0.840 nan 8.370 nan 0.000 0.485 228 G N -0.706 107.728 108.800 -0.610 0.000 2.660 228 G HA2 0.419 4.379 3.960 -0.000 0.000 0.290 228 G HA3 0.419 4.379 3.960 -0.000 0.000 0.290 228 G C -1.461 173.040 174.900 -0.665 0.000 1.432 228 G CA -0.582 43.874 45.100 -1.072 0.000 0.807 228 G HN -0.230 nan 8.290 nan 0.000 0.485 229 Q N -0.853 118.599 119.800 -0.580 0.000 2.413 229 Q HA 0.731 5.071 4.340 -0.000 0.000 0.276 229 Q C -1.243 174.592 176.000 -0.274 0.000 1.099 229 Q CA -0.963 54.640 55.803 -0.334 0.000 0.814 229 Q CB 2.840 31.446 28.738 -0.220 0.000 1.379 229 Q HN 0.690 nan 8.270 nan 0.000 0.436 230 V N 2.598 122.410 119.914 -0.171 0.000 2.808 230 V HA 0.662 4.782 4.120 -0.000 0.000 0.308 230 V C -1.671 174.407 176.094 -0.027 0.000 1.099 230 V CA -0.480 61.759 62.300 -0.102 0.000 0.920 230 V CB 1.964 33.730 31.823 -0.096 0.000 1.014 230 V HN 0.662 nan 8.190 nan 0.000 0.425 231 L N 5.317 126.542 121.223 0.003 0.000 2.424 231 L HA 0.598 4.938 4.340 -0.000 0.000 0.258 231 L C -0.779 176.152 176.870 0.102 0.000 0.995 231 L CA -1.110 53.775 54.840 0.075 0.000 0.821 231 L CB 2.494 44.593 42.059 0.067 0.000 1.383 231 L HN 0.397 nan 8.230 nan 0.000 0.410 232 V N 2.492 122.494 119.914 0.146 0.000 2.439 232 V HA -0.051 4.069 4.120 -0.000 0.000 0.271 232 V C 0.994 177.186 176.094 0.163 0.000 1.040 232 V CA -0.031 62.368 62.300 0.165 0.000 1.002 232 V CB 0.761 32.672 31.823 0.148 0.000 1.000 232 V HN 0.960 nan 8.190 nan 0.000 0.477 233 W N 5.026 126.403 121.300 0.128 0.000 2.331 233 W HA -0.227 4.433 4.660 -0.000 0.000 0.291 233 W C 1.268 177.888 176.519 0.168 0.000 1.214 233 W CA 1.201 58.632 57.345 0.143 0.000 1.228 233 W CB -0.435 29.223 29.460 0.330 0.000 1.135 233 W HN 0.656 nan 8.180 nan 0.000 0.537 234 Q N 1.222 120.688 119.800 -0.558 0.000 2.096 234 Q HA -0.178 4.162 4.340 -0.000 0.000 0.204 234 Q C 1.653 177.603 176.000 -0.084 0.000 0.982 234 Q CA 2.026 57.473 55.803 -0.593 0.000 0.850 234 Q CB -0.925 27.513 28.738 -0.501 0.000 0.901 234 Q HN 0.447 nan 8.270 nan 0.000 0.422 235 D N 0.441 120.835 120.400 -0.010 0.000 2.137 235 D HA -0.080 4.560 4.640 -0.000 0.000 0.202 235 D C 1.882 178.247 176.300 0.108 0.000 0.970 235 D CA 0.512 54.535 54.000 0.039 0.000 0.837 235 D CB -0.239 40.575 40.800 0.024 0.000 0.981 235 D HN 0.099 nan 8.370 nan 0.000 0.475 236 M N 1.111 120.803 119.600 0.153 0.000 2.144 236 M HA -0.125 4.355 4.480 -0.000 0.000 0.260 236 M C 1.185 177.643 176.300 0.263 0.000 1.067 236 M CA 1.456 56.876 55.300 0.200 0.000 1.095 236 M CB -0.287 32.388 32.600 0.125 0.000 1.365 236 M HN -0.048 nan 8.290 nan 0.000 0.406 237 A N -0.722 122.282 122.820 0.306 0.000 2.535 237 A HA 0.487 4.807 4.320 -0.000 0.000 0.273 237 A C 1.049 178.814 177.584 0.301 0.000 1.267 237 A CA 0.399 52.641 52.037 0.342 0.000 0.940 237 A CB -0.844 18.447 19.000 0.486 0.000 1.101 237 A HN 0.732 nan 8.150 nan 0.000 0.521 238 G N -0.846 108.079 108.800 0.209 0.000 2.352 238 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.283 238 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.283 238 G C 0.080 175.095 174.900 0.192 0.000 0.946 238 G CA 0.598 45.785 45.100 0.145 0.000 1.317 238 G HN 0.770 nan 8.290 nan 0.000 0.478 239 F N 0.644 120.583 119.950 -0.017 0.000 2.784 239 F HA 0.376 4.903 4.527 -0.000 0.000 0.323 239 F C 1.152 176.891 175.800 -0.102 0.000 1.085 239 F CA 0.499 58.470 58.000 -0.049 0.000 1.196 239 F CB 0.799 39.714 39.000 -0.142 0.000 1.053 239 F HN 0.536 nan 8.300 nan 0.000 0.578 240 S N 0.009 115.711 115.700 0.002 0.000 2.561 240 S HA 0.694 5.164 4.470 -0.000 0.000 0.303 240 S C 0.308 174.877 174.600 -0.051 0.000 1.110 240 S CA -0.345 57.825 58.200 -0.051 0.000 1.034 240 S CB 1.187 64.360 63.200 -0.045 0.000 1.010 240 S HN 0.716 nan 8.310 nan 0.000 0.482 241 G N 2.136 110.897 108.800 -0.065 0.000 2.606 241 G HA2 0.109 4.069 3.960 -0.000 0.000 0.285 241 G HA3 0.109 4.069 3.960 -0.000 0.000 0.285 241 G C 0.612 175.485 174.900 -0.045 0.000 1.311 241 G CA 0.265 45.334 45.100 -0.052 0.000 0.922 241 G HN 2.040 nan 8.290 nan 0.000 0.559 242 A N -1.204 121.593 122.820 -0.038 0.000 2.498 242 A HA 0.524 4.844 4.320 -0.000 0.000 0.238 242 A C 1.127 178.689 177.584 -0.036 0.000 1.225 242 A CA 1.289 53.306 52.037 -0.033 0.000 0.978 242 A CB 0.260 19.241 19.000 -0.031 0.000 1.142 242 A HN 0.832 nan 8.150 nan 0.000 0.552 243 K N 2.187 122.564 120.400 -0.039 0.000 2.127 243 K HA 0.153 4.473 4.320 -0.000 0.000 0.261 243 K C -0.291 176.268 176.600 -0.068 0.000 1.129 243 K CA 0.143 56.402 56.287 -0.046 0.000 0.993 243 K CB -0.355 32.123 32.500 -0.037 0.000 1.410 243 K HN 0.168 nan 8.250 nan 0.000 0.380 244 T N 2.567 117.075 114.554 -0.078 0.000 2.727 244 T HA 0.337 4.686 4.350 -0.000 0.000 0.295 244 T C 0.302 174.899 174.700 -0.171 0.000 0.915 244 T CA -0.562 61.467 62.100 -0.119 0.000 1.066 244 T CB 0.458 69.271 68.868 -0.092 0.000 0.891 244 T HN 0.575 nan 8.240 nan 0.000 0.516 245 A N 5.491 128.143 122.820 -0.279 0.000 2.387 245 A HA 0.348 4.668 4.320 -0.000 0.000 0.251 245 A C 1.688 179.054 177.584 -0.363 0.000 1.113 245 A CA -0.219 51.616 52.037 -0.337 0.000 0.794 245 A CB 0.192 18.888 19.000 -0.506 0.000 1.069 245 A HN 1.019 nan 8.150 nan 0.000 0.506 246 R N -0.503 119.864 120.500 -0.221 0.000 2.083 246 R HA -0.186 4.154 4.340 -0.000 0.000 0.237 246 R C 1.618 177.864 176.300 -0.090 0.000 1.137 246 R CA 2.192 58.233 56.100 -0.098 0.000 0.951 246 R CB -0.652 29.664 30.300 0.026 0.000 0.851 246 R HN 0.881 nan 8.270 nan 0.000 0.434 247 F N -0.317 119.638 119.950 0.008 0.000 2.771 247 F HA 0.154 4.681 4.527 -0.000 0.000 0.299 247 F C 0.334 176.145 175.800 0.019 0.000 1.177 247 F CA -0.245 57.759 58.000 0.007 0.000 1.450 247 F CB -0.147 38.857 39.000 0.006 0.000 1.114 247 F HN -0.320 nan 8.300 nan 0.000 0.587 248 V N 1.862 121.550 119.914 -0.377 0.000 2.483 248 V HA 0.279 4.399 4.120 -0.000 0.000 0.295 248 V C -0.221 175.828 176.094 -0.075 0.000 1.035 248 V CA -1.216 60.974 62.300 -0.185 0.000 0.896 248 V CB 1.662 33.296 31.823 -0.314 0.000 0.986 248 V HN 0.194 nan 8.190 nan 0.000 0.447 249 K N 4.271 124.698 120.400 0.045 0.000 2.265 249 K HA 0.476 4.796 4.320 -0.000 0.000 0.267 249 K C -0.144 176.492 176.600 0.059 0.000 0.994 249 K CA -0.743 55.542 56.287 -0.003 0.000 0.860 249 K CB 0.993 33.466 32.500 -0.045 0.000 1.099 249 K HN 0.600 nan 8.250 nan 0.000 0.448 250 R N 4.033 124.517 120.500 -0.026 0.000 2.351 250 R HA 0.059 4.399 4.340 -0.000 0.000 0.321 250 R C -0.304 176.000 176.300 0.006 0.000 1.182 250 R CA 0.049 56.172 56.100 0.039 0.000 1.011 250 R CB 0.126 30.427 30.300 0.001 0.000 1.048 250 R HN 0.659 nan 8.270 nan 0.000 0.490 251 Y N 2.274 122.593 120.300 0.032 0.000 2.578 251 Y HA 0.185 4.735 4.550 -0.000 0.000 0.297 251 Y C 0.818 176.747 175.900 0.049 0.000 1.176 251 Y CA 0.789 58.909 58.100 0.033 0.000 1.315 251 Y CB 0.512 38.991 38.460 0.032 0.000 1.031 251 Y HN 0.661 nan 8.280 nan 0.000 0.524 252 A N -0.898 122.029 122.820 0.179 0.000 2.361 252 A HA 0.421 4.741 4.320 -0.000 0.000 0.297 252 A C -1.646 176.017 177.584 0.131 0.000 1.036 252 A CA -0.533 51.589 52.037 0.142 0.000 0.589 252 A CB 0.131 19.234 19.000 0.171 0.000 1.418 252 A HN -0.069 nan 8.150 nan 0.000 0.539 253 D N 0.047 120.518 120.400 0.118 0.000 2.886 253 D HA 0.417 5.057 4.640 -0.000 0.000 0.355 253 D C 0.841 177.222 176.300 0.135 0.000 1.274 253 D CA 0.162 54.224 54.000 0.104 0.000 0.836 253 D CB 0.364 41.198 40.800 0.057 0.000 1.109 253 D HN 0.224 nan 8.370 nan 0.000 0.488 254 V N 0.701 120.750 119.914 0.224 0.000 2.490 254 V HA -0.070 4.050 4.120 -0.000 0.000 0.250 254 V C 2.466 178.737 176.094 0.294 0.000 1.061 254 V CA 2.144 64.623 62.300 0.298 0.000 1.064 254 V CB -0.519 31.566 31.823 0.437 0.000 0.670 254 V HN 0.533 nan 8.190 nan 0.000 0.461 255 G N 0.292 109.210 108.800 0.196 0.000 2.414 255 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.215 255 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.215 255 G C 1.655 176.490 174.900 -0.109 0.000 1.188 255 G CA 0.868 45.863 45.100 -0.176 0.000 0.783 255 G HN 0.559 nan 8.290 nan 0.000 0.537 256 G N 0.337 109.116 108.800 -0.034 0.000 2.440 256 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.218 256 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.218 256 G C 1.630 176.529 174.900 -0.001 0.000 1.154 256 G CA 1.140 46.225 45.100 -0.024 0.000 0.767 256 G HN 0.356 nan 8.290 nan 0.000 0.552 257 E N -0.106 120.114 120.200 0.034 0.000 2.118 257 E HA -0.115 4.235 4.350 -0.000 0.000 0.195 257 E C 2.461 179.082 176.600 0.036 0.000 0.992 257 E CA 0.711 57.137 56.400 0.043 0.000 0.804 257 E CB -0.224 29.520 29.700 0.072 0.000 0.741 257 E HN 0.382 nan 8.360 nan 0.000 0.458 258 L N 0.890 122.136 121.223 0.038 0.000 2.156 258 L HA -0.066 4.274 4.340 -0.000 0.000 0.208 258 L C 2.203 179.066 176.870 -0.011 0.000 1.095 258 L CA 1.330 56.186 54.840 0.027 0.000 0.770 258 L CB -0.190 41.897 42.059 0.047 0.000 0.914 258 L HN -0.061 nan 8.230 nan 0.000 0.439 259 R N -0.569 119.911 120.500 -0.033 0.000 2.073 259 R HA -0.118 4.222 4.340 -0.000 0.000 0.234 259 R C 2.276 178.572 176.300 -0.005 0.000 1.134 259 R CA 1.638 57.719 56.100 -0.031 0.000 0.952 259 R CB -0.371 29.902 30.300 -0.044 0.000 0.850 259 R HN 0.405 nan 8.270 nan 0.000 0.433 260 R N 0.802 121.303 120.500 0.001 0.000 2.062 260 R HA 0.007 4.347 4.340 -0.000 0.000 0.231 260 R C 2.272 178.583 176.300 0.019 0.000 1.136 260 R CA 1.437 57.543 56.100 0.010 0.000 0.948 260 R CB -1.112 29.194 30.300 0.010 0.000 0.845 260 R HN 0.185 nan 8.270 nan 0.000 0.430 261 A N 2.116 124.944 122.820 0.014 0.000 1.940 261 A HA -0.212 4.108 4.320 -0.000 0.000 0.221 261 A C 2.584 180.187 177.584 0.032 0.000 1.190 261 A CA 2.662 54.704 52.037 0.008 0.000 0.647 261 A CB -0.811 18.184 19.000 -0.008 0.000 0.821 261 A HN 0.517 nan 8.150 nan 0.000 0.457 262 A N -1.036 121.805 122.820 0.036 0.000 1.872 262 A HA -0.029 4.291 4.320 -0.000 0.000 0.214 262 A C 2.287 179.945 177.584 0.123 0.000 1.187 262 A CA 1.699 53.789 52.037 0.088 0.000 0.614 262 A CB -0.519 18.510 19.000 0.049 0.000 0.826 262 A HN 0.530 nan 8.150 nan 0.000 0.442 263 M N -1.088 118.547 119.600 0.060 0.000 2.117 263 M HA -0.213 4.267 4.480 -0.000 0.000 0.262 263 M C 2.550 178.871 176.300 0.035 0.000 1.065 263 M CA 1.728 57.050 55.300 0.038 0.000 1.114 263 M CB -0.480 32.130 32.600 0.017 0.000 1.361 263 M HN 0.520 nan 8.290 nan 0.000 0.408 264 Q N -0.407 119.418 119.800 0.042 0.000 2.084 264 Q HA -0.220 4.120 4.340 -0.000 0.000 0.202 264 Q C 2.053 178.077 176.000 0.040 0.000 0.978 264 Q CA 1.809 57.632 55.803 0.033 0.000 0.844 264 Q CB -0.275 28.480 28.738 0.029 0.000 0.898 264 Q HN 0.556 nan 8.270 nan 0.000 0.426 265 Y N 0.690 120.947 120.300 -0.070 0.000 2.114 265 Y HA -0.302 4.248 4.550 -0.000 0.000 0.282 265 Y C 2.033 177.910 175.900 -0.038 0.000 1.165 265 Y CA 1.830 59.862 58.100 -0.113 0.000 1.148 265 Y CB -0.723 37.648 38.460 -0.149 0.000 0.972 265 Y HN 0.135 nan 8.280 nan 0.000 0.504 266 A N 0.223 122.931 122.820 -0.186 0.000 1.883 266 A HA -0.313 4.007 4.320 -0.000 0.000 0.217 266 A C 2.308 179.790 177.584 -0.170 0.000 1.186 266 A CA 2.122 54.011 52.037 -0.246 0.000 0.624 266 A CB -1.117 17.845 19.000 -0.063 0.000 0.822 266 A HN 0.692 nan 8.150 nan 0.000 0.444 267 Q N -0.570 119.180 119.800 -0.083 0.000 2.084 267 Q HA -0.199 4.141 4.340 -0.000 0.000 0.202 267 Q C 1.971 177.946 176.000 -0.041 0.000 0.978 267 Q CA 1.743 57.517 55.803 -0.047 0.000 0.844 267 Q CB -0.138 28.589 28.738 -0.018 0.000 0.898 267 Q HN 0.779 nan 8.270 nan 0.000 0.426 268 E N -0.681 119.498 120.200 -0.035 0.000 2.153 268 E HA -0.166 4.184 4.350 -0.000 0.000 0.194 268 E C 2.023 178.640 176.600 0.027 0.000 0.988 268 E CA 1.281 57.695 56.400 0.023 0.000 0.811 268 E CB 0.104 29.850 29.700 0.076 0.000 0.746 268 E HN 0.227 nan 8.360 nan 0.000 0.466 269 V N 1.452 121.324 119.914 -0.069 0.000 2.307 269 V HA -0.253 3.867 4.120 -0.000 0.000 0.245 269 V C 2.374 178.436 176.094 -0.052 0.000 1.045 269 V CA 1.879 64.137 62.300 -0.069 0.000 1.024 269 V CB -0.664 31.009 31.823 -0.250 0.000 0.651 269 V HN 0.297 nan 8.190 nan 0.000 0.449 270 A N 0.381 123.162 122.820 -0.064 0.000 1.972 270 A HA -0.044 4.276 4.320 -0.000 0.000 0.219 270 A C 2.198 179.770 177.584 -0.020 0.000 1.169 270 A CA 1.717 53.730 52.037 -0.040 0.000 0.635 270 A CB -0.886 18.090 19.000 -0.039 0.000 0.810 270 A HN 0.570 nan 8.150 nan 0.000 0.446 271 G N -1.974 106.820 108.800 -0.010 0.000 3.088 271 G HA2 0.356 4.316 3.960 -0.000 0.000 0.212 271 G HA3 0.356 4.316 3.960 -0.000 0.000 0.212 271 G C 1.195 176.101 174.900 0.010 0.000 1.173 271 G CA 0.498 45.599 45.100 0.003 0.000 0.779 271 G HN 1.539 nan 8.290 nan 0.000 0.540 272 G N -0.404 108.399 108.800 0.005 0.000 2.205 272 G HA2 -0.358 3.602 3.960 -0.000 0.000 0.269 272 G HA3 -0.358 3.602 3.960 -0.000 0.000 0.269 272 G C 1.521 176.436 174.900 0.024 0.000 0.977 272 G CA 1.257 46.359 45.100 0.002 0.000 0.652 272 G HN 1.326 nan 8.290 nan 0.000 0.539 273 V N -2.008 117.941 119.914 0.058 0.000 2.667 273 V HA 0.515 4.635 4.120 -0.000 0.000 0.252 273 V C 1.017 177.214 176.094 0.173 0.000 1.065 273 V CA 1.877 64.235 62.300 0.097 0.000 1.083 273 V CB -0.147 31.735 31.823 0.098 0.000 0.692 273 V HN 0.851 nan 8.190 nan 0.000 0.468 274 F N 2.905 122.867 119.950 0.020 0.000 2.540 274 F HA 0.847 5.374 4.527 -0.000 0.000 0.317 274 F C -2.675 173.129 175.800 0.007 0.000 1.104 274 F CA -2.983 55.036 58.000 0.031 0.000 0.913 274 F CB 2.019 41.022 39.000 0.005 0.000 1.170 274 F HN -0.036 nan 8.300 nan 0.000 0.450 275 P HA 0.397 nan 4.420 nan 0.000 0.276 275 P C -1.118 176.061 177.300 -0.203 0.000 1.244 275 P CA -0.231 62.138 63.100 -1.218 0.000 0.801 275 P CB 1.644 32.669 31.700 -1.125 0.000 1.006 276 A N 1.757 124.721 122.820 0.239 0.000 3.033 276 A HA 0.254 4.574 4.320 -0.000 0.000 0.223 276 A C 0.937 178.524 177.584 0.004 0.000 1.797 276 A CA 0.274 52.385 52.037 0.124 0.000 0.856 276 A CB -0.757 18.317 19.000 0.124 0.000 1.798 276 A HN 0.455 nan 8.150 nan 0.000 0.629 277 D N -1.012 119.349 120.400 -0.065 0.000 2.277 277 D HA 0.020 4.660 4.640 -0.000 0.000 0.209 277 D C 1.715 177.939 176.300 -0.127 0.000 0.970 277 D CA 1.129 55.086 54.000 -0.072 0.000 0.874 277 D CB -0.109 40.660 40.800 -0.052 0.000 0.982 277 D HN 0.745 nan 8.370 nan 0.000 0.504 278 E N 0.213 120.259 120.200 -0.257 0.000 2.396 278 E HA -0.159 4.191 4.350 -0.000 0.000 0.200 278 E C 0.317 176.733 176.600 -0.306 0.000 1.023 278 E CA 0.845 57.062 56.400 -0.304 0.000 0.857 278 E CB -0.178 29.286 29.700 -0.394 0.000 0.775 278 E HN 0.394 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 0.006 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