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 1za0_1_A DATA FIRST_RESID 8 DATA SEQUENCE DALTLELEPV VEANMTRHLD TEDIWFAHDY VPFDQGENFA FLGGRDWDPS DATA SEQUENCE QSTLPRTITD ACEILLILKD NXXXXXXXXX XXXXXXDWWG RWLGRWTAEE DATA SEQUENCE HLHAIALREY LVVTREVDPV ANEDVRVXXX XXXXXXXKYT QVETLVYMAF DATA SEQUENCE YERCGAVFCR NLAAQIEEPI LAGLIDRIAR DEVRHEEFFA NLVTHCLDYT DATA SEQUENCE RDETIAAIAA RAADLDVLGA DIEAYRDKLQ NVADAGIFGK PQLRQLISDR DATA SEQUENCE ITAWGLAGEP SLKQFVT VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 8 D HA 0.000 nan 4.640 nan 0.000 0.175 8 D C 0.000 176.295 176.300 -0.009 0.000 2.045 8 D CA 0.000 53.999 54.000 -0.001 0.000 0.868 8 D CB 0.000 40.801 40.800 0.002 0.000 0.688 9 A N -0.486 122.342 122.820 0.013 0.000 1.872 9 A HA 0.072 4.393 4.320 0.002 0.000 0.214 9 A C 2.010 179.555 177.584 -0.065 0.000 1.187 9 A CA 1.577 53.621 52.037 0.011 0.000 0.614 9 A CB -0.843 18.221 19.000 0.106 0.000 0.826 9 A HN 0.527 nan 8.150 nan 0.000 0.442 10 L N -0.103 121.131 121.223 0.018 0.000 1.976 10 L HA -0.128 4.213 4.340 0.002 0.000 0.209 10 L C 2.470 179.281 176.870 -0.099 0.000 1.071 10 L CA 2.854 57.684 54.840 -0.016 0.000 0.746 10 L CB -1.228 40.876 42.059 0.075 0.000 0.890 10 L HN 0.372 nan 8.230 nan 0.000 0.432 11 T N 0.047 114.546 114.554 -0.092 0.000 2.685 11 T HA -0.252 4.099 4.350 0.002 0.000 0.268 11 T C 1.946 176.599 174.700 -0.077 0.000 1.034 11 T CA 2.077 64.113 62.100 -0.107 0.000 1.149 11 T CB -0.363 68.451 68.868 -0.089 0.000 0.860 11 T HN 0.298 nan 8.240 nan 0.000 0.449 12 L N 0.392 121.568 121.223 -0.079 0.000 2.109 12 L HA -0.016 4.325 4.340 0.002 0.000 0.207 12 L C 2.862 179.663 176.870 -0.115 0.000 1.086 12 L CA 0.975 55.772 54.840 -0.071 0.000 0.760 12 L CB -0.431 41.593 42.059 -0.059 0.000 0.910 12 L HN 0.179 nan 8.230 nan 0.000 0.437 13 E N 0.379 120.459 120.200 -0.199 0.000 2.118 13 E HA -0.203 4.148 4.350 0.002 0.000 0.195 13 E C 2.214 178.770 176.600 -0.074 0.000 0.992 13 E CA 1.249 57.532 56.400 -0.194 0.000 0.804 13 E CB -0.070 29.291 29.700 -0.565 0.000 0.741 13 E HN 0.506 nan 8.360 nan 0.000 0.458 14 L N 0.164 121.343 121.223 -0.074 0.000 2.446 14 L HA -0.033 4.308 4.340 0.002 0.000 0.219 14 L C 2.287 179.098 176.870 -0.099 0.000 1.116 14 L CA 0.210 55.007 54.840 -0.072 0.000 0.844 14 L CB -0.005 42.031 42.059 -0.039 0.000 0.970 14 L HN 0.000 nan 8.230 nan 0.000 0.457 15 E N 0.948 121.108 120.200 -0.067 0.000 2.110 15 E HA -0.169 4.182 4.350 0.002 0.000 0.193 15 E C -0.728 175.803 176.600 -0.114 0.000 0.988 15 E CA 1.393 57.789 56.400 -0.006 0.000 0.804 15 E CB -0.678 29.061 29.700 0.065 0.000 0.745 15 E HN 0.276 nan 8.360 nan 0.000 0.458 16 P HA -0.102 nan 4.420 nan 0.000 0.219 16 P C 1.169 178.275 177.300 -0.322 0.000 1.150 16 P CA 0.860 63.806 63.100 -0.256 0.000 0.814 16 P CB 0.127 31.686 31.700 -0.234 0.000 0.787 17 V N -0.649 119.065 119.914 -0.334 0.000 2.379 17 V HA -0.147 3.974 4.120 0.002 0.000 0.245 17 V C 2.459 178.360 176.094 -0.322 0.000 1.044 17 V CA 1.413 63.508 62.300 -0.342 0.000 1.036 17 V CB -1.126 30.484 31.823 -0.354 0.000 0.664 17 V HN -0.046 nan 8.190 nan 0.000 0.453 18 V N 0.346 120.154 119.914 -0.176 0.000 2.343 18 V HA -0.305 3.816 4.120 0.002 0.000 0.247 18 V C 2.464 178.451 176.094 -0.177 0.000 1.051 18 V CA 2.440 64.730 62.300 -0.018 0.000 1.036 18 V CB -0.559 31.443 31.823 0.298 0.000 0.654 18 V HN 0.698 nan 8.190 nan 0.000 0.451 19 E N 0.412 120.351 120.200 -0.436 0.000 2.051 19 E HA -0.221 4.130 4.350 0.002 0.000 0.192 19 E C 2.241 178.418 176.600 -0.705 0.000 0.991 19 E CA 1.405 57.204 56.400 -1.001 0.000 0.799 19 E CB -0.276 28.604 29.700 -1.367 0.000 0.748 19 E HN 0.535 nan 8.360 nan 0.000 0.449 20 A N 1.308 123.825 122.820 -0.506 0.000 1.908 20 A HA -0.210 4.111 4.320 0.002 0.000 0.218 20 A C 2.004 179.360 177.584 -0.381 0.000 1.181 20 A CA 1.651 53.457 52.037 -0.385 0.000 0.627 20 A CB -0.645 18.164 19.000 -0.319 0.000 0.818 20 A HN 0.328 nan 8.150 nan 0.000 0.445 21 N N -1.023 117.357 118.700 -0.534 0.000 2.216 21 N HA -0.088 4.653 4.740 0.002 0.000 0.183 21 N C 1.689 176.930 175.510 -0.448 0.000 1.017 21 N CA 1.267 53.851 53.050 -0.776 0.000 0.861 21 N CB -0.223 37.248 38.487 -1.693 0.000 0.986 21 N HN 0.280 nan 8.380 nan 0.000 0.428 22 M N 1.089 120.588 119.600 -0.168 0.000 2.117 22 M HA -0.079 4.402 4.480 0.002 0.000 0.262 22 M C 1.983 178.385 176.300 0.171 0.000 1.065 22 M CA 1.409 56.854 55.300 0.243 0.000 1.114 22 M CB -1.404 31.436 32.600 0.400 0.000 1.361 22 M HN 0.050 nan 8.290 nan 0.000 0.408 23 T N -0.400 114.142 114.554 -0.020 0.000 2.684 23 T HA -0.184 4.167 4.350 0.002 0.000 0.267 23 T C 1.930 176.644 174.700 0.023 0.000 1.036 23 T CA 1.599 63.699 62.100 0.000 0.000 1.148 23 T CB -0.252 68.537 68.868 -0.132 0.000 0.863 23 T HN 0.377 nan 8.240 nan 0.000 0.436 24 R N -0.182 120.295 120.500 -0.038 0.000 2.083 24 R HA -0.192 4.149 4.340 0.002 0.000 0.237 24 R C 2.375 178.721 176.300 0.075 0.000 1.137 24 R CA 2.076 58.166 56.100 -0.016 0.000 0.951 24 R CB -0.408 29.839 30.300 -0.088 0.000 0.851 24 R HN 0.585 nan 8.270 nan 0.000 0.434 25 H N 0.087 119.182 119.070 0.041 0.000 2.293 25 H HA -0.075 4.482 4.556 0.001 0.000 0.300 25 H C 2.124 177.544 175.328 0.152 0.000 1.082 25 H CA 2.210 58.345 56.048 0.145 0.000 1.308 25 H CB -0.129 29.799 29.762 0.276 0.000 1.375 25 H HN 0.151 nan 8.280 nan 0.000 0.495 26 L N 0.151 121.579 121.223 0.342 0.000 2.042 26 L HA -0.204 4.137 4.340 0.002 0.000 0.210 26 L C 1.841 178.792 176.870 0.134 0.000 1.076 26 L CA 1.480 56.461 54.840 0.236 0.000 0.749 26 L CB -0.336 41.861 42.059 0.229 0.000 0.893 26 L HN 0.401 nan 8.230 nan 0.000 0.432 27 D N -0.998 119.461 120.400 0.099 0.000 2.269 27 D HA -0.096 4.545 4.640 0.002 0.000 0.208 27 D C 1.947 178.271 176.300 0.039 0.000 0.963 27 D CA 1.560 55.597 54.000 0.061 0.000 0.864 27 D CB -0.014 40.810 40.800 0.041 0.000 0.936 27 D HN 0.402 nan 8.370 nan 0.000 0.505 28 T N -1.712 112.857 114.554 0.026 0.000 3.092 28 T HA 0.068 4.419 4.350 0.002 0.000 0.258 28 T C 0.613 175.306 174.700 -0.013 0.000 1.031 28 T CA -0.582 61.518 62.100 0.000 0.000 0.925 28 T CB -0.204 68.653 68.868 -0.019 0.000 1.036 28 T HN 0.202 nan 8.240 nan 0.000 0.544 29 E N 1.302 121.506 120.200 0.007 0.000 2.415 29 E HA 0.153 4.504 4.350 0.002 0.000 0.262 29 E C -0.877 175.743 176.600 0.033 0.000 1.038 29 E CA -0.311 56.097 56.400 0.013 0.000 0.921 29 E CB 0.382 30.125 29.700 0.071 0.000 0.950 29 E HN 0.152 nan 8.360 nan 0.000 0.438 30 D N 3.716 124.144 120.400 0.047 0.000 2.364 30 D HA 0.188 4.829 4.640 0.002 0.000 0.251 30 D C -1.005 175.357 176.300 0.105 0.000 1.282 30 D CA -0.612 53.428 54.000 0.066 0.000 0.927 30 D CB 0.319 41.152 40.800 0.055 0.000 1.267 30 D HN 0.321 nan 8.370 nan 0.000 0.531 31 I N 3.698 124.298 120.570 0.049 0.000 2.556 31 I HA 0.237 4.408 4.170 0.002 0.000 0.284 31 I C 0.553 176.620 176.117 -0.083 0.000 1.114 31 I CA -0.493 60.761 61.300 -0.076 0.000 1.418 31 I CB -0.120 37.773 38.000 -0.178 0.000 1.394 31 I HN 0.410 nan 8.210 nan 0.000 0.552 32 W N 6.475 127.552 121.300 -0.371 0.000 2.820 32 W HA 0.626 5.287 4.660 0.002 0.000 0.350 32 W C -2.209 173.941 176.519 -0.616 0.000 1.116 32 W CA -1.353 55.798 57.345 -0.323 0.000 1.146 32 W CB 0.778 30.227 29.460 -0.019 0.000 1.433 32 W HN 0.141 nan 8.180 nan 0.000 0.561 33 F N 1.073 121.097 119.950 0.124 0.000 2.482 33 F HA 0.515 5.043 4.527 0.002 0.000 0.331 33 F C 1.398 177.191 175.800 -0.011 0.000 1.115 33 F CA -0.478 57.404 58.000 -0.198 0.000 0.955 33 F CB 1.654 40.397 39.000 -0.429 0.000 1.136 33 F HN 0.590 nan 8.300 nan 0.000 0.452 34 A N 2.390 125.229 122.820 0.031 0.000 1.892 34 A HA -0.247 4.074 4.320 0.002 0.000 0.218 34 A C 2.161 179.949 177.584 0.340 0.000 1.188 34 A CA 2.239 54.414 52.037 0.230 0.000 0.631 34 A CB -1.361 17.691 19.000 0.086 0.000 0.822 34 A HN 0.937 nan 8.150 nan 0.000 0.447 35 H N -1.843 117.456 119.070 0.381 0.000 2.518 35 H HA -0.066 4.491 4.556 0.002 0.000 0.289 35 H C 0.480 176.042 175.328 0.389 0.000 1.051 35 H CA 1.182 57.487 56.048 0.429 0.000 1.280 35 H CB -0.321 29.661 29.762 0.367 0.000 1.380 35 H HN 0.361 nan 8.280 nan 0.000 0.566 36 D N 0.487 120.964 120.400 0.128 0.000 2.347 36 D HA -0.043 4.598 4.640 0.002 0.000 0.215 36 D C 0.436 176.674 176.300 -0.103 0.000 0.976 36 D CA 0.496 54.545 54.000 0.083 0.000 0.884 36 D CB -0.123 40.688 40.800 0.019 0.000 0.915 36 D HN 0.517 nan 8.370 nan 0.000 0.526 37 Y N -0.198 120.220 120.300 0.196 0.000 2.607 37 Y HA 0.224 4.775 4.550 0.002 0.000 0.266 37 Y C 0.077 176.061 175.900 0.139 0.000 1.178 37 Y CA -0.245 57.949 58.100 0.155 0.000 1.226 37 Y CB 0.897 39.451 38.460 0.156 0.000 1.144 37 Y HN -0.319 nan 8.280 nan 0.000 0.528 38 V N 3.306 123.274 119.914 0.091 0.000 2.378 38 V HA 0.300 4.421 4.120 0.002 0.000 0.288 38 V C -2.301 173.553 176.094 -0.399 0.000 1.016 38 V CA -1.971 60.185 62.300 -0.240 0.000 0.840 38 V CB 1.781 33.202 31.823 -0.669 0.000 0.994 38 V HN 0.011 nan 8.190 nan 0.000 0.431 39 P HA 0.232 nan 4.420 nan 0.000 0.238 39 P C 0.620 177.837 177.300 -0.139 0.000 1.794 39 P CA -0.245 62.770 63.100 -0.142 0.000 1.088 39 P CB 0.084 31.725 31.700 -0.098 0.000 1.923 40 F N 1.090 121.057 119.950 0.029 0.000 2.202 40 F HA -0.188 4.340 4.527 0.002 0.000 0.301 40 F C 1.883 177.689 175.800 0.009 0.000 1.082 40 F CA 1.572 59.587 58.000 0.025 0.000 1.313 40 F CB -0.910 38.112 39.000 0.037 0.000 1.024 40 F HN 0.160 nan 8.300 nan 0.000 0.495 41 D N -0.132 120.369 120.400 0.169 0.000 2.190 41 D HA -0.202 4.439 4.640 0.002 0.000 0.200 41 D C 2.019 178.349 176.300 0.050 0.000 0.992 41 D CA 1.234 55.289 54.000 0.091 0.000 0.854 41 D CB -0.411 40.424 40.800 0.058 0.000 0.936 41 D HN 0.423 nan 8.370 nan 0.000 0.462 42 Q N -0.082 119.730 119.800 0.020 0.000 2.432 42 Q HA 0.130 4.471 4.340 0.002 0.000 0.205 42 Q C 1.079 177.073 176.000 -0.010 0.000 0.945 42 Q CA 0.193 55.989 55.803 -0.012 0.000 0.924 42 Q CB 0.304 29.012 28.738 -0.050 0.000 1.016 42 Q HN 0.118 nan 8.270 nan 0.000 0.503 43 G N 2.031 110.849 108.800 0.029 0.000 2.491 43 G HA2 0.139 4.100 3.960 0.002 0.000 0.238 43 G HA3 0.139 4.100 3.960 0.002 0.000 0.238 43 G C -0.458 174.448 174.900 0.010 0.000 1.277 43 G CA -0.240 44.886 45.100 0.043 0.000 0.851 43 G HN 0.271 nan 8.290 nan 0.000 0.573 44 E N 0.555 120.729 120.200 -0.043 0.000 2.383 44 E HA 0.253 4.604 4.350 0.002 0.000 0.275 44 E C -1.036 175.485 176.600 -0.132 0.000 0.918 44 E CA -1.169 55.181 56.400 -0.082 0.000 0.764 44 E CB 1.125 30.756 29.700 -0.116 0.000 1.252 44 E HN 0.269 nan 8.360 nan 0.000 0.449 45 N N 1.174 119.848 118.700 -0.045 0.000 2.412 45 N HA 0.096 4.837 4.740 0.002 0.000 0.254 45 N C -0.919 174.548 175.510 -0.070 0.000 1.232 45 N CA 0.319 53.390 53.050 0.035 0.000 0.880 45 N CB 0.019 38.543 38.487 0.060 0.000 1.076 45 N HN 0.299 nan 8.380 nan 0.000 0.458 46 F N 0.358 120.369 119.950 0.102 0.000 2.390 46 F HA 0.263 4.790 4.527 0.001 0.000 0.307 46 F C 1.787 177.660 175.800 0.122 0.000 1.227 46 F CA -0.488 57.582 58.000 0.117 0.000 1.179 46 F CB 0.339 39.416 39.000 0.128 0.000 1.280 46 F HN 0.525 nan 8.300 nan 0.000 0.548 47 A N 1.017 124.024 122.820 0.311 0.000 1.933 47 A HA -0.210 4.111 4.320 0.002 0.000 0.218 47 A C 1.995 179.711 177.584 0.220 0.000 1.175 47 A CA 1.288 53.448 52.037 0.206 0.000 0.628 47 A CB -1.249 17.863 19.000 0.186 0.000 0.814 47 A HN 0.748 nan 8.150 nan 0.000 0.444 48 F N 0.279 120.305 119.950 0.126 0.000 2.147 48 F HA -0.149 4.379 4.527 0.002 0.000 0.301 48 F C 1.452 177.298 175.800 0.076 0.000 1.084 48 F CA 1.635 59.688 58.000 0.088 0.000 1.268 48 F CB -0.038 39.009 39.000 0.078 0.000 1.009 48 F HN 0.129 nan 8.300 nan 0.000 0.486 49 L N -0.740 120.578 121.223 0.159 0.000 2.791 49 L HA 0.289 4.630 4.340 0.002 0.000 0.239 49 L C 1.356 178.241 176.870 0.024 0.000 1.203 49 L CA 0.494 55.366 54.840 0.054 0.000 1.002 49 L CB -0.573 41.569 42.059 0.139 0.000 1.295 49 L HN 0.369 nan 8.230 nan 0.000 0.504 50 G N -0.322 108.487 108.800 0.015 0.000 2.141 50 G HA2 -0.225 3.736 3.960 0.002 0.000 0.242 50 G HA3 -0.225 3.736 3.960 0.002 0.000 0.242 50 G C 0.478 175.387 174.900 0.016 0.000 0.982 50 G CA -0.008 45.094 45.100 0.003 0.000 0.662 50 G HN 0.518 nan 8.290 nan 0.000 0.527 51 G N -0.170 108.651 108.800 0.035 0.000 3.271 51 G HA2 0.771 4.732 3.960 0.002 0.000 0.174 51 G HA3 0.771 4.732 3.960 0.002 0.000 0.174 51 G C 0.198 175.100 174.900 0.003 0.000 1.385 51 G CA 0.001 45.102 45.100 0.001 0.000 0.979 51 G HN 1.091 nan 8.290 nan 0.000 0.610 52 R N -0.290 120.188 120.500 -0.038 0.000 2.795 52 R HA 0.527 4.868 4.340 0.002 0.000 0.275 52 R C -1.692 174.610 176.300 0.004 0.000 0.981 52 R CA -0.782 55.311 56.100 -0.012 0.000 0.917 52 R CB 1.752 32.025 30.300 -0.044 0.000 1.202 52 R HN 0.256 nan 8.270 nan 0.000 0.469 53 D N 0.671 121.149 120.400 0.130 0.000 2.377 53 D HA 0.066 4.707 4.640 0.002 0.000 0.245 53 D C -0.637 175.814 176.300 0.251 0.000 1.196 53 D CA -0.160 54.023 54.000 0.305 0.000 0.962 53 D CB 0.460 41.439 40.800 0.298 0.000 1.127 53 D HN 0.422 nan 8.370 nan 0.000 0.471 54 W N 1.290 122.733 121.300 0.240 0.000 2.158 54 W HA 0.210 4.870 4.660 0.000 0.000 0.339 54 W C -0.062 176.512 176.519 0.091 0.000 1.294 54 W CA 0.155 57.597 57.345 0.161 0.000 1.231 54 W CB 0.246 29.847 29.460 0.235 0.000 1.143 54 W HN 0.376 nan 8.180 nan 0.000 0.571 55 D N 3.375 123.252 120.400 -0.872 0.000 2.583 55 D HA 0.406 5.047 4.640 0.002 0.000 0.248 55 D C -2.392 172.905 176.300 -1.672 0.000 1.209 55 D CA -1.663 51.676 54.000 -1.102 0.000 0.848 55 D CB 2.080 42.620 40.800 -0.433 0.000 1.431 55 D HN 0.060 nan 8.370 nan 0.000 0.436 56 P HA -0.204 nan 4.420 nan 0.000 0.218 56 P C 1.351 178.440 177.300 -0.352 0.000 1.146 56 P CA 1.738 64.451 63.100 -0.645 0.000 0.813 56 P CB 0.020 31.574 31.700 -0.245 0.000 0.778 57 S N -0.844 114.656 115.700 -0.334 0.000 2.442 57 S HA -0.219 4.252 4.470 0.002 0.000 0.236 57 S C 1.825 176.323 174.600 -0.170 0.000 1.007 57 S CA 1.065 59.146 58.200 -0.198 0.000 0.965 57 S CB -0.963 62.134 63.200 -0.171 0.000 0.773 57 S HN 0.256 nan 8.310 nan 0.000 0.504 58 Q N 0.936 120.587 119.800 -0.250 0.000 2.389 58 Q HA 0.271 4.612 4.340 0.002 0.000 0.204 58 Q C 1.085 177.089 176.000 0.005 0.000 0.944 58 Q CA 0.827 56.550 55.803 -0.134 0.000 0.908 58 Q CB -0.181 28.451 28.738 -0.176 0.000 1.002 58 Q HN 0.769 nan 8.270 nan 0.000 0.493 59 S N 0.570 116.300 115.700 0.050 0.000 2.475 59 S HA 0.262 4.733 4.470 0.002 0.000 0.281 59 S C 0.769 175.417 174.600 0.081 0.000 1.198 59 S CA -0.435 57.855 58.200 0.150 0.000 1.063 59 S CB 0.407 63.766 63.200 0.264 0.000 0.972 59 S HN 0.211 nan 8.310 nan 0.000 0.486 60 T N 0.717 115.319 114.554 0.080 0.000 2.975 60 T HA 0.339 4.690 4.350 0.002 0.000 0.257 60 T C 0.470 175.208 174.700 0.064 0.000 1.003 60 T CA -0.176 61.957 62.100 0.056 0.000 0.932 60 T CB -0.476 68.417 68.868 0.041 0.000 1.087 60 T HN 0.397 nan 8.240 nan 0.000 0.512 61 L N 2.452 123.728 121.223 0.087 0.000 2.452 61 L HA 0.379 4.720 4.340 0.002 0.000 0.267 61 L C -2.167 174.740 176.870 0.062 0.000 1.188 61 L CA -2.291 52.596 54.840 0.078 0.000 0.821 61 L CB 0.102 42.222 42.059 0.101 0.000 1.102 61 L HN -0.008 nan 8.230 nan 0.000 0.470 62 P HA 0.021 nan 4.420 nan 0.000 0.265 62 P C 0.018 177.338 177.300 0.033 0.000 1.187 62 P CA -0.271 62.847 63.100 0.030 0.000 0.766 62 P CB 0.463 32.172 31.700 0.014 0.000 0.820 63 R N 1.483 122.002 120.500 0.031 0.000 2.152 63 R HA -0.078 4.263 4.340 0.002 0.000 0.232 63 R C 1.976 178.283 176.300 0.012 0.000 1.117 63 R CA 1.825 57.943 56.100 0.029 0.000 0.981 63 R CB -1.748 28.568 30.300 0.026 0.000 0.870 63 R HN 0.655 nan 8.270 nan 0.000 0.451 64 T N -0.571 113.985 114.554 0.003 0.000 2.746 64 T HA -0.087 4.264 4.350 0.002 0.000 0.267 64 T C 1.953 176.646 174.700 -0.013 0.000 1.039 64 T CA 0.938 63.031 62.100 -0.011 0.000 1.142 64 T CB -0.140 68.715 68.868 -0.022 0.000 0.866 64 T HN -0.059 nan 8.240 nan 0.000 0.444 65 I N 3.041 123.608 120.570 -0.006 0.000 2.202 65 I HA -0.097 4.074 4.170 0.002 0.000 0.242 65 I C 3.073 179.201 176.117 0.019 0.000 1.091 65 I CA 1.984 63.279 61.300 -0.007 0.000 1.368 65 I CB -1.913 36.085 38.000 -0.004 0.000 1.058 65 I HN 0.548 nan 8.210 nan 0.000 0.410 66 T N -1.630 112.945 114.554 0.036 0.000 2.821 66 T HA -0.126 4.225 4.350 0.002 0.000 0.267 66 T C 1.563 176.284 174.700 0.036 0.000 1.046 66 T CA 1.133 63.263 62.100 0.051 0.000 1.139 66 T CB -0.359 68.550 68.868 0.067 0.000 0.871 66 T HN 0.140 nan 8.240 nan 0.000 0.454 67 D N 2.241 122.649 120.400 0.012 0.000 2.104 67 D HA 0.005 4.646 4.640 0.002 0.000 0.194 67 D C 2.525 178.871 176.300 0.076 0.000 0.994 67 D CA 1.600 55.594 54.000 -0.010 0.000 0.830 67 D CB -0.802 39.980 40.800 -0.030 0.000 0.959 67 D HN 0.553 nan 8.370 nan 0.000 0.452 68 A N 0.333 123.213 122.820 0.100 0.000 1.908 68 A HA -0.219 4.102 4.320 0.002 0.000 0.218 68 A C 2.547 180.301 177.584 0.282 0.000 1.181 68 A CA 1.557 53.733 52.037 0.232 0.000 0.627 68 A CB -0.994 18.030 19.000 0.039 0.000 0.818 68 A HN 0.375 nan 8.150 nan 0.000 0.445 69 C N -0.742 118.648 119.300 0.149 0.000 2.440 69 C HA -0.054 4.407 4.460 0.002 0.000 0.278 69 C C 2.629 177.688 174.990 0.115 0.000 1.295 69 C CA 1.044 60.130 59.018 0.113 0.000 1.738 69 C CB -1.260 26.517 27.740 0.062 0.000 1.987 69 C HN 0.681 nan 8.230 nan 0.000 0.492 70 E N 0.759 121.034 120.200 0.126 0.000 2.106 70 E HA -0.142 4.209 4.350 0.002 0.000 0.192 70 E C 1.917 178.666 176.600 0.249 0.000 0.984 70 E CA 1.083 57.583 56.400 0.166 0.000 0.806 70 E CB -0.162 29.622 29.700 0.140 0.000 0.750 70 E HN 0.645 nan 8.360 nan 0.000 0.458 71 I N 1.091 121.825 120.570 0.274 0.000 2.226 71 I HA -0.292 3.879 4.170 0.002 0.000 0.245 71 I C 2.373 178.501 176.117 0.019 0.000 1.100 71 I CA 1.030 62.468 61.300 0.229 0.000 1.374 71 I CB -0.179 37.972 38.000 0.251 0.000 1.057 71 I HN 0.111 nan 8.210 nan 0.000 0.413 72 L N -0.219 120.986 121.223 -0.030 0.000 2.046 72 L HA -0.229 4.112 4.340 0.002 0.000 0.208 72 L C 2.551 179.401 176.870 -0.034 0.000 1.077 72 L CA 1.003 55.766 54.840 -0.127 0.000 0.747 72 L CB -0.454 41.554 42.059 -0.084 0.000 0.896 72 L HN 0.295 nan 8.230 nan 0.000 0.432 73 L N -0.224 121.014 121.223 0.024 0.000 2.046 73 L HA -0.217 4.124 4.340 0.002 0.000 0.208 73 L C 2.365 179.247 176.870 0.020 0.000 1.077 73 L CA 1.756 56.620 54.840 0.039 0.000 0.747 73 L CB -0.442 41.654 42.059 0.062 0.000 0.896 73 L HN 0.078 nan 8.230 nan 0.000 0.432 74 I N -0.623 119.954 120.570 0.012 0.000 2.179 74 I HA -0.296 3.875 4.170 0.002 0.000 0.242 74 I C 2.554 178.650 176.117 -0.035 0.000 1.088 74 I CA 1.457 62.736 61.300 -0.036 0.000 1.357 74 I CB -1.009 36.923 38.000 -0.113 0.000 1.051 74 I HN 0.324 nan 8.210 nan 0.000 0.409 75 L N 0.186 121.394 121.223 -0.025 0.000 2.056 75 L HA -0.193 4.148 4.340 0.002 0.000 0.207 75 L C 2.636 179.528 176.870 0.037 0.000 1.078 75 L CA 1.216 56.064 54.840 0.014 0.000 0.749 75 L CB -0.583 41.481 42.059 0.009 0.000 0.901 75 L HN 0.184 nan 8.230 nan 0.000 0.433 76 K N -0.197 120.216 120.400 0.021 0.000 2.097 76 K HA -0.136 4.185 4.320 0.002 0.000 0.205 76 K C 1.611 178.207 176.600 -0.005 0.000 1.050 76 K CA 1.060 57.363 56.287 0.027 0.000 0.938 76 K CB -0.327 32.205 32.500 0.053 0.000 0.718 76 K HN 0.262 nan 8.250 nan 0.000 0.442 77 D N 0.783 121.180 120.400 -0.005 0.000 2.218 77 D HA -0.048 4.593 4.640 0.002 0.000 0.204 77 D C 0.705 176.974 176.300 -0.052 0.000 0.976 77 D CA 0.764 54.748 54.000 -0.026 0.000 0.853 77 D CB 0.109 40.898 40.800 -0.019 0.000 0.939 77 D HN 0.184 nan 8.370 nan 0.000 0.481 95 W N 2.213 123.608 121.300 0.157 0.000 2.342 95 W HA -0.098 4.563 4.660 0.001 0.000 0.297 95 W C 2.238 178.916 176.519 0.265 0.000 1.213 95 W CA 0.359 57.811 57.345 0.178 0.000 1.251 95 W CB -0.184 29.369 29.460 0.155 0.000 1.136 95 W HN 0.596 nan 8.180 nan 0.000 0.526 96 W N 1.013 122.510 121.300 0.328 0.000 2.363 96 W HA -0.144 4.517 4.660 0.001 0.000 0.296 96 W C 1.887 178.528 176.519 0.204 0.000 1.212 96 W CA 1.828 59.339 57.345 0.277 0.000 1.260 96 W CB -0.786 28.800 29.460 0.209 0.000 1.131 96 W HN -0.037 nan 8.180 nan 0.000 0.530 97 G N 0.717 109.601 108.800 0.140 0.000 2.421 97 G HA2 -0.230 3.731 3.960 0.002 0.000 0.217 97 G HA3 -0.230 3.731 3.960 0.002 0.000 0.217 97 G C 1.681 176.526 174.900 -0.092 0.000 1.143 97 G CA 0.467 45.538 45.100 -0.049 0.000 0.784 97 G HN 0.198 nan 8.290 nan 0.000 0.541 98 R N -0.819 119.682 120.500 0.002 0.000 2.081 98 R HA -0.074 4.267 4.340 0.002 0.000 0.235 98 R C 2.228 178.549 176.300 0.035 0.000 1.131 98 R CA 1.289 57.398 56.100 0.014 0.000 0.960 98 R CB -0.404 29.923 30.300 0.046 0.000 0.856 98 R HN 0.634 nan 8.270 nan 0.000 0.436 99 W N 1.406 122.604 121.300 -0.171 0.000 2.378 99 W HA -0.230 4.431 4.660 0.001 0.000 0.313 99 W C 1.990 178.214 176.519 -0.492 0.000 1.197 99 W CA 1.454 58.559 57.345 -0.401 0.000 1.304 99 W CB -0.323 28.795 29.460 -0.571 0.000 1.148 99 W HN 0.106 nan 8.180 nan 0.000 0.494 100 L N 1.485 122.239 121.223 -0.782 0.000 2.079 100 L HA -0.023 4.318 4.340 0.002 0.000 0.210 100 L C 2.500 179.086 176.870 -0.473 0.000 1.081 100 L CA 2.799 57.160 54.840 -0.798 0.000 0.752 100 L CB -2.230 39.419 42.059 -0.684 0.000 0.896 100 L HN 0.268 nan 8.230 nan 0.000 0.433 101 G N -0.942 107.649 108.800 -0.348 0.000 2.404 101 G HA2 -0.248 3.713 3.960 0.002 0.000 0.215 101 G HA3 -0.248 3.713 3.960 0.002 0.000 0.215 101 G C 1.850 176.590 174.900 -0.266 0.000 1.174 101 G CA 0.824 45.782 45.100 -0.237 0.000 0.780 101 G HN 0.589 nan 8.290 nan 0.000 0.537 102 R N -0.174 120.151 120.500 -0.292 0.000 2.073 102 R HA -0.117 4.224 4.340 0.002 0.000 0.234 102 R C 2.127 178.146 176.300 -0.470 0.000 1.134 102 R CA 1.716 57.646 56.100 -0.283 0.000 0.952 102 R CB -1.037 29.177 30.300 -0.143 0.000 0.850 102 R HN 0.489 nan 8.270 nan 0.000 0.433 103 W N 0.801 121.455 121.300 -1.078 0.000 2.354 103 W HA -0.156 4.505 4.660 0.001 0.000 0.315 103 W C 1.825 177.946 176.519 -0.664 0.000 1.206 103 W CA 2.523 59.127 57.345 -1.235 0.000 1.290 103 W CB -0.803 27.533 29.460 -1.873 0.000 1.152 103 W HN 0.062 nan 8.180 nan 0.000 0.489 104 T N 0.962 115.201 114.554 -0.525 0.000 2.665 104 T HA -0.288 4.063 4.350 0.002 0.000 0.268 104 T C 1.921 176.352 174.700 -0.448 0.000 1.035 104 T CA 2.425 64.214 62.100 -0.518 0.000 1.151 104 T CB -1.063 67.655 68.868 -0.251 0.000 0.862 104 T HN 0.303 nan 8.240 nan 0.000 0.438 105 A N 1.346 123.965 122.820 -0.334 0.000 1.933 105 A HA -0.133 4.188 4.320 0.002 0.000 0.218 105 A C 2.208 179.602 177.584 -0.316 0.000 1.175 105 A CA 1.626 53.524 52.037 -0.232 0.000 0.628 105 A CB -0.494 18.399 19.000 -0.179 0.000 0.814 105 A HN 0.601 nan 8.150 nan 0.000 0.444 106 E N -0.361 119.593 120.200 -0.409 0.000 2.072 106 E HA -0.170 4.181 4.350 0.002 0.000 0.191 106 E C 1.981 178.097 176.600 -0.806 0.000 0.985 106 E CA 1.068 57.181 56.400 -0.478 0.000 0.801 106 E CB -0.145 29.448 29.700 -0.178 0.000 0.750 106 E HN 0.530 nan 8.360 nan 0.000 0.452 107 E N 0.347 120.101 120.200 -0.743 0.000 2.058 107 E HA -0.225 4.126 4.350 0.002 0.000 0.194 107 E C 2.001 178.404 176.600 -0.328 0.000 0.997 107 E CA 1.108 57.139 56.400 -0.615 0.000 0.801 107 E CB -0.486 28.749 29.700 -0.775 0.000 0.746 107 E HN 0.508 nan 8.360 nan 0.000 0.450 108 H N 0.126 118.953 119.070 -0.405 0.000 2.321 108 H HA -0.124 4.433 4.556 0.001 0.000 0.300 108 H C 2.405 177.608 175.328 -0.207 0.000 1.087 108 H CA 1.114 57.011 56.048 -0.253 0.000 1.319 108 H CB 0.036 29.662 29.762 -0.226 0.000 1.379 108 H HN 0.054 nan 8.280 nan 0.000 0.501 109 L N 0.671 121.720 121.223 -0.290 0.000 2.043 109 L HA -0.252 4.089 4.340 0.002 0.000 0.212 109 L C 2.152 178.922 176.870 -0.167 0.000 1.075 109 L CA 1.972 56.587 54.840 -0.375 0.000 0.752 109 L CB -0.558 41.169 42.059 -0.553 0.000 0.891 109 L HN 0.412 nan 8.230 nan 0.000 0.432 110 H N -1.319 117.694 119.070 -0.096 0.000 2.321 110 H HA -0.116 4.441 4.556 0.002 0.000 0.300 110 H C 2.189 177.540 175.328 0.039 0.000 1.087 110 H CA 0.756 56.828 56.048 0.041 0.000 1.319 110 H CB -0.163 29.624 29.762 0.041 0.000 1.379 110 H HN 0.551 nan 8.280 nan 0.000 0.501 111 A N 1.064 123.974 122.820 0.149 0.000 1.902 111 A HA -0.146 4.175 4.320 0.002 0.000 0.217 111 A C 2.381 180.024 177.584 0.097 0.000 1.181 111 A CA 1.389 53.496 52.037 0.115 0.000 0.623 111 A CB -0.656 18.416 19.000 0.121 0.000 0.818 111 A HN 0.304 nan 8.150 nan 0.000 0.443 112 I N -0.348 120.247 120.570 0.042 0.000 2.202 112 I HA -0.251 3.920 4.170 0.002 0.000 0.242 112 I C 2.991 179.168 176.117 0.101 0.000 1.091 112 I CA 1.019 62.336 61.300 0.028 0.000 1.368 112 I CB -0.371 37.574 38.000 -0.092 0.000 1.058 112 I HN 0.344 nan 8.210 nan 0.000 0.410 113 A N 1.014 123.911 122.820 0.127 0.000 1.883 113 A HA -0.184 4.137 4.320 0.002 0.000 0.217 113 A C 2.304 180.007 177.584 0.199 0.000 1.186 113 A CA 1.594 53.761 52.037 0.218 0.000 0.624 113 A CB -0.967 18.236 19.000 0.338 0.000 0.822 113 A HN 0.365 nan 8.150 nan 0.000 0.444 114 L N -1.236 120.080 121.223 0.155 0.000 2.017 114 L HA -0.188 4.153 4.340 0.002 0.000 0.208 114 L C 2.813 179.777 176.870 0.157 0.000 1.073 114 L CA 1.898 56.814 54.840 0.128 0.000 0.745 114 L CB -0.468 41.643 42.059 0.087 0.000 0.894 114 L HN 0.457 nan 8.230 nan 0.000 0.432 115 R N 0.337 120.915 120.500 0.129 0.000 2.073 115 R HA -0.196 4.145 4.340 0.002 0.000 0.234 115 R C 2.192 178.569 176.300 0.129 0.000 1.134 115 R CA 1.819 57.988 56.100 0.114 0.000 0.952 115 R CB -0.125 30.228 30.300 0.089 0.000 0.850 115 R HN 0.394 nan 8.270 nan 0.000 0.433 116 E N -0.790 119.495 120.200 0.141 0.000 2.077 116 E HA -0.256 4.095 4.350 0.002 0.000 0.193 116 E C 1.781 178.425 176.600 0.073 0.000 0.989 116 E CA 1.497 57.972 56.400 0.125 0.000 0.800 116 E CB -0.272 29.523 29.700 0.158 0.000 0.746 116 E HN 0.428 nan 8.360 nan 0.000 0.452 117 Y N 1.466 121.770 120.300 0.007 0.000 2.097 117 Y HA -0.247 4.304 4.550 0.002 0.000 0.282 117 Y C 2.030 177.943 175.900 0.021 0.000 1.152 117 Y CA 1.536 59.631 58.100 -0.009 0.000 1.136 117 Y CB -0.144 38.333 38.460 0.029 0.000 0.975 117 Y HN -0.053 nan 8.280 nan 0.000 0.498 118 L N -1.099 120.282 121.223 0.263 0.000 2.083 118 L HA -0.190 4.151 4.340 0.002 0.000 0.209 118 L C 2.514 179.439 176.870 0.092 0.000 1.083 118 L CA 1.192 56.148 54.840 0.194 0.000 0.752 118 L CB -0.652 41.514 42.059 0.178 0.000 0.899 118 L HN 0.246 nan 8.230 nan 0.000 0.433 119 V N -0.942 119.029 119.914 0.095 0.000 2.488 119 V HA -0.147 3.974 4.120 0.002 0.000 0.246 119 V C 2.268 178.462 176.094 0.166 0.000 1.046 119 V CA 1.126 63.514 62.300 0.147 0.000 1.053 119 V CB 0.563 32.464 31.823 0.130 0.000 0.679 119 V HN 0.166 nan 8.190 nan 0.000 0.458 120 V N 0.978 120.919 119.914 0.044 0.000 2.453 120 V HA -0.170 3.951 4.120 0.002 0.000 0.247 120 V C 2.662 178.715 176.094 -0.069 0.000 1.048 120 V CA 2.454 64.749 62.300 -0.007 0.000 1.049 120 V CB -0.778 30.959 31.823 -0.144 0.000 0.672 120 V HN 0.824 nan 8.190 nan 0.000 0.457 121 T N -3.199 111.255 114.554 -0.167 0.000 3.081 121 T HA -0.004 4.347 4.350 0.002 0.000 0.255 121 T C 1.016 175.716 174.700 0.000 0.000 1.113 121 T CA -0.107 61.889 62.100 -0.174 0.000 1.082 121 T CB -0.053 68.577 68.868 -0.397 0.000 0.939 121 T HN 0.394 nan 8.240 nan 0.000 0.506 122 R N 0.670 121.235 120.500 0.108 0.000 3.641 122 R HA -0.133 4.208 4.340 0.002 0.000 0.286 122 R C 0.307 176.828 176.300 0.369 0.000 1.153 122 R CA 0.807 57.084 56.100 0.294 0.000 0.775 122 R CB -2.223 28.257 30.300 0.299 0.000 1.215 122 R HN 0.508 nan 8.270 nan 0.000 0.474 123 E N 0.378 120.715 120.200 0.229 0.000 2.358 123 E HA 0.010 4.361 4.350 0.002 0.000 0.195 123 E C 1.272 178.015 176.600 0.238 0.000 1.010 123 E CA 1.190 57.736 56.400 0.243 0.000 0.856 123 E CB 0.346 30.174 29.700 0.214 0.000 0.795 123 E HN 0.457 nan 8.360 nan 0.000 0.504 124 V N -1.567 118.402 119.914 0.093 0.000 3.078 124 V HA 0.384 4.505 4.120 0.002 0.000 0.311 124 V C -0.393 175.257 176.094 -0.741 0.000 1.138 124 V CA -1.386 60.816 62.300 -0.163 0.000 1.007 124 V CB 2.143 33.901 31.823 -0.108 0.000 1.045 124 V HN -0.267 nan 8.190 nan 0.000 0.432 125 D N 3.840 123.431 120.400 -1.349 0.000 2.389 125 D HA 0.256 4.897 4.640 0.002 0.000 0.263 125 D C -1.235 174.689 176.300 -0.627 0.000 1.255 125 D CA -1.541 51.513 54.000 -1.576 0.000 0.914 125 D CB 1.643 41.652 40.800 -1.318 0.000 1.116 125 D HN 0.523 nan 8.370 nan 0.000 0.502 126 P HA -0.095 nan 4.420 nan 0.000 0.229 126 P C 1.583 178.764 177.300 -0.199 0.000 1.160 126 P CA 0.123 63.087 63.100 -0.227 0.000 0.777 126 P CB 0.446 32.032 31.700 -0.191 0.000 0.814 127 V N 1.397 121.195 119.914 -0.192 0.000 2.255 127 V HA -0.280 3.841 4.120 0.002 0.000 0.247 127 V C 2.805 178.837 176.094 -0.103 0.000 1.051 127 V CA 2.318 64.540 62.300 -0.130 0.000 1.018 127 V CB -1.672 30.107 31.823 -0.074 0.000 0.641 127 V HN 0.120 nan 8.190 nan 0.000 0.445 128 A N 0.398 123.151 122.820 -0.111 0.000 1.896 128 A HA -0.374 3.947 4.320 0.002 0.000 0.220 128 A C 2.035 179.596 177.584 -0.039 0.000 1.206 128 A CA 2.969 54.965 52.037 -0.067 0.000 0.647 128 A CB -1.478 17.472 19.000 -0.082 0.000 0.828 128 A HN 0.759 nan 8.150 nan 0.000 0.455 129 N N -0.455 118.213 118.700 -0.053 0.000 2.461 129 N HA 0.138 4.879 4.740 0.002 0.000 0.188 129 N C 1.305 176.790 175.510 -0.042 0.000 1.134 129 N CA 0.951 53.984 53.050 -0.028 0.000 0.878 129 N CB -0.350 38.127 38.487 -0.016 0.000 0.972 129 N HN 0.787 nan 8.380 nan 0.000 0.456 130 E N -0.988 119.174 120.200 -0.064 0.000 2.601 130 E HA 0.040 4.391 4.350 0.002 0.000 0.219 130 E C -0.929 175.632 176.600 -0.065 0.000 0.964 130 E CA -0.371 55.988 56.400 -0.069 0.000 1.050 130 E CB 0.468 30.108 29.700 -0.099 0.000 1.068 130 E HN 0.373 nan 8.360 nan 0.000 0.496 131 D N 1.700 122.066 120.400 -0.056 0.000 2.365 131 D HA -0.004 4.637 4.640 0.002 0.000 0.237 131 D C 1.361 177.636 176.300 -0.041 0.000 1.190 131 D CA -0.165 53.805 54.000 -0.049 0.000 0.867 131 D CB 1.626 42.402 40.800 -0.040 0.000 1.050 131 D HN -0.044 nan 8.370 nan 0.000 0.491 132 V N 2.875 122.763 119.914 -0.043 0.000 2.913 132 V HA -0.101 4.020 4.120 0.002 0.000 0.260 132 V C 1.891 177.966 176.094 -0.032 0.000 1.098 132 V CA 0.947 63.224 62.300 -0.038 0.000 1.121 132 V CB -0.600 31.200 31.823 -0.039 0.000 0.714 132 V HN 0.376 nan 8.190 nan 0.000 0.487 133 R N 0.990 121.473 120.500 -0.029 0.000 2.237 133 R HA 0.132 4.473 4.340 0.002 0.000 0.219 133 R C 0.981 177.270 176.300 -0.020 0.000 1.080 133 R CA 1.108 57.194 56.100 -0.023 0.000 0.995 133 R CB -0.216 30.073 30.300 -0.019 0.000 0.875 133 R HN 0.713 nan 8.270 nan 0.000 0.462 146 Y N 2.551 122.812 120.300 -0.065 0.000 2.352 146 Y HA 0.427 4.978 4.550 0.001 0.000 0.339 146 Y C 1.626 177.503 175.900 -0.038 0.000 0.992 146 Y CA -1.002 57.062 58.100 -0.059 0.000 1.100 146 Y CB 2.217 40.626 38.460 -0.085 0.000 1.192 146 Y HN 0.847 nan 8.280 nan 0.000 0.458 147 T N -1.098 113.514 114.554 0.097 0.000 2.724 147 T HA -0.027 4.324 4.350 0.002 0.000 0.324 147 T C 1.239 175.958 174.700 0.032 0.000 1.071 147 T CA 0.341 62.461 62.100 0.033 0.000 1.061 147 T CB 0.813 69.674 68.868 -0.012 0.000 0.990 147 T HN 0.854 nan 8.240 nan 0.000 0.543 148 Q N 0.375 120.178 119.800 0.006 0.000 2.135 148 Q HA -0.046 4.295 4.340 0.002 0.000 0.204 148 Q C 2.465 178.457 176.000 -0.013 0.000 0.981 148 Q CA 2.115 57.911 55.803 -0.012 0.000 0.856 148 Q CB -1.203 27.503 28.738 -0.054 0.000 0.902 148 Q HN 0.707 nan 8.270 nan 0.000 0.425 149 V N 0.660 120.556 119.914 -0.029 0.000 2.446 149 V HA -0.201 3.920 4.120 0.002 0.000 0.244 149 V C 2.279 178.338 176.094 -0.058 0.000 1.039 149 V CA 1.667 63.941 62.300 -0.042 0.000 1.045 149 V CB -0.452 31.335 31.823 -0.061 0.000 0.681 149 V HN 0.712 nan 8.190 nan 0.000 0.459 150 E N -0.023 120.115 120.200 -0.103 0.000 2.130 150 E HA -0.228 4.123 4.350 0.002 0.000 0.196 150 E C 2.240 178.732 176.600 -0.179 0.000 0.998 150 E CA 1.926 58.188 56.400 -0.230 0.000 0.806 150 E CB -0.167 29.293 29.700 -0.400 0.000 0.738 150 E HN 0.562 nan 8.360 nan 0.000 0.459 151 T N 0.746 115.299 114.554 -0.001 0.000 2.851 151 T HA -0.033 4.318 4.350 0.002 0.000 0.262 151 T C 1.877 176.660 174.700 0.139 0.000 1.043 151 T CA 0.598 62.791 62.100 0.155 0.000 1.140 151 T CB -0.035 68.932 68.868 0.166 0.000 0.872 151 T HN 0.077 nan 8.240 nan 0.000 0.446 152 L N 0.673 121.961 121.223 0.107 0.000 2.093 152 L HA -0.036 4.305 4.340 0.002 0.000 0.208 152 L C 2.605 179.562 176.870 0.145 0.000 1.085 152 L CA 0.686 55.620 54.840 0.156 0.000 0.755 152 L CB -0.611 41.558 42.059 0.183 0.000 0.904 152 L HN 0.128 nan 8.230 nan 0.000 0.435 153 V N -0.837 119.141 119.914 0.107 0.000 2.307 153 V HA -0.331 3.790 4.120 0.002 0.000 0.245 153 V C 2.260 178.549 176.094 0.326 0.000 1.045 153 V CA 1.874 64.269 62.300 0.158 0.000 1.024 153 V CB -0.640 31.234 31.823 0.085 0.000 0.651 153 V HN 0.400 nan 8.190 nan 0.000 0.449 154 Y N 0.155 120.541 120.300 0.144 0.000 2.081 154 Y HA -0.305 4.246 4.550 0.001 0.000 0.280 154 Y C 2.540 178.556 175.900 0.194 0.000 1.163 154 Y CA 2.067 60.282 58.100 0.191 0.000 1.135 154 Y CB -0.235 38.313 38.460 0.146 0.000 0.970 154 Y HN 0.111 nan 8.280 nan 0.000 0.498 155 M N 0.026 119.620 119.600 -0.011 0.000 2.213 155 M HA -0.153 4.328 4.480 0.002 0.000 0.263 155 M C 2.439 178.678 176.300 -0.101 0.000 1.062 155 M CA 1.548 56.665 55.300 -0.305 0.000 1.105 155 M CB -1.844 30.146 32.600 -1.016 0.000 1.385 155 M HN 0.504 nan 8.290 nan 0.000 0.417 156 A N -0.462 122.413 122.820 0.092 0.000 1.898 156 A HA -0.141 4.179 4.320 0.002 0.000 0.216 156 A C 2.006 179.636 177.584 0.076 0.000 1.181 156 A CA 1.324 53.477 52.037 0.194 0.000 0.620 156 A CB -0.894 18.305 19.000 0.331 0.000 0.819 156 A HN 0.347 nan 8.150 nan 0.000 0.442 157 F N -1.942 118.072 119.950 0.107 0.000 2.146 157 F HA -0.090 4.438 4.527 0.002 0.000 0.298 157 F C 2.216 178.014 175.800 -0.003 0.000 1.096 157 F CA 1.537 59.565 58.000 0.047 0.000 1.275 157 F CB -0.742 38.281 39.000 0.037 0.000 1.008 157 F HN 0.421 nan 8.300 nan 0.000 0.480 158 Y N 1.132 121.408 120.300 -0.041 0.000 2.200 158 Y HA -0.170 4.381 4.550 0.002 0.000 0.290 158 Y C 2.317 178.222 175.900 0.008 0.000 1.137 158 Y CA 1.560 59.569 58.100 -0.151 0.000 1.163 158 Y CB -0.299 37.873 38.460 -0.481 0.000 0.988 158 Y HN -0.045 nan 8.280 nan 0.000 0.518 159 E N 0.305 120.589 120.200 0.139 0.000 2.153 159 E HA -0.236 4.115 4.350 0.002 0.000 0.194 159 E C 2.252 178.909 176.600 0.095 0.000 0.988 159 E CA 1.149 57.661 56.400 0.187 0.000 0.811 159 E CB -0.339 29.627 29.700 0.443 0.000 0.746 159 E HN 0.507 nan 8.360 nan 0.000 0.466 160 R N 0.461 121.012 120.500 0.086 0.000 2.075 160 R HA -0.095 4.246 4.340 0.002 0.000 0.232 160 R C 2.437 178.782 176.300 0.076 0.000 1.126 160 R CA 1.437 57.579 56.100 0.069 0.000 0.963 160 R CB -0.269 30.057 30.300 0.044 0.000 0.858 160 R HN 0.141 nan 8.270 nan 0.000 0.435 161 C N -0.110 119.220 119.300 0.050 0.000 2.398 161 C HA -0.094 4.367 4.460 0.002 0.000 0.276 161 C C 2.718 177.579 174.990 -0.215 0.000 1.222 161 C CA 1.095 60.104 59.018 -0.015 0.000 1.746 161 C CB -1.529 26.109 27.740 -0.170 0.000 2.039 161 C HN 0.799 nan 8.230 nan 0.000 0.470 162 G N 0.374 108.989 108.800 -0.307 0.000 2.476 162 G HA2 -0.141 3.820 3.960 0.002 0.000 0.218 162 G HA3 -0.141 3.820 3.960 0.002 0.000 0.218 162 G C 1.862 176.721 174.900 -0.070 0.000 1.164 162 G CA 1.344 46.288 45.100 -0.259 0.000 0.768 162 G HN 0.667 nan 8.290 nan 0.000 0.560 163 A N -0.191 122.626 122.820 -0.005 0.000 1.898 163 A HA 0.149 4.470 4.320 0.002 0.000 0.216 163 A C 2.626 180.247 177.584 0.062 0.000 1.181 163 A CA 1.795 53.847 52.037 0.026 0.000 0.620 163 A CB -0.552 18.473 19.000 0.041 0.000 0.819 163 A HN 0.267 nan 8.150 nan 0.000 0.442 164 V N -1.240 118.747 119.914 0.121 0.000 2.307 164 V HA -0.228 3.893 4.120 0.002 0.000 0.245 164 V C 2.245 178.480 176.094 0.235 0.000 1.045 164 V CA 2.034 64.446 62.300 0.186 0.000 1.024 164 V CB -0.988 31.011 31.823 0.294 0.000 0.651 164 V HN 0.625 nan 8.190 nan 0.000 0.449 165 F N 0.428 120.420 119.950 0.071 0.000 2.063 165 F HA -0.321 4.208 4.527 0.003 0.000 0.298 165 F C 2.428 178.202 175.800 -0.042 0.000 1.109 165 F CA 2.470 60.461 58.000 -0.015 0.000 1.212 165 F CB -0.327 38.472 39.000 -0.335 0.000 0.973 165 F HN 0.167 nan 8.300 nan 0.000 0.480 166 C N -0.748 118.698 119.300 0.244 0.000 2.467 166 C HA -0.068 4.393 4.460 0.002 0.000 0.279 166 C C 2.939 177.926 174.990 -0.005 0.000 1.347 166 C CA 1.015 60.099 59.018 0.111 0.000 1.748 166 C CB -1.221 26.523 27.740 0.007 0.000 1.977 166 C HN 0.526 nan 8.230 nan 0.000 0.501 167 R N 1.868 122.368 120.500 -0.001 0.000 2.083 167 R HA -0.100 4.241 4.340 0.002 0.000 0.237 167 R C 1.815 178.091 176.300 -0.039 0.000 1.137 167 R CA 2.255 58.339 56.100 -0.026 0.000 0.951 167 R CB -1.262 29.032 30.300 -0.008 0.000 0.851 167 R HN 0.711 nan 8.270 nan 0.000 0.434 168 N N 0.545 119.224 118.700 -0.035 0.000 2.188 168 N HA -0.072 4.669 4.740 0.002 0.000 0.184 168 N C 1.624 177.070 175.510 -0.107 0.000 1.018 168 N CA 1.521 54.532 53.050 -0.064 0.000 0.858 168 N CB -0.573 37.878 38.487 -0.060 0.000 0.989 168 N HN 0.313 nan 8.380 nan 0.000 0.426 169 L N 1.088 122.224 121.223 -0.145 0.000 2.027 169 L HA 0.037 4.378 4.340 0.002 0.000 0.206 169 L C 2.059 178.867 176.870 -0.104 0.000 1.074 169 L CA 1.563 56.311 54.840 -0.153 0.000 0.745 169 L CB -1.019 40.940 42.059 -0.167 0.000 0.898 169 L HN 0.121 nan 8.230 nan 0.000 0.433 170 A N -0.260 122.504 122.820 -0.094 0.000 1.917 170 A HA -0.191 4.130 4.320 0.002 0.000 0.219 170 A C 2.415 179.952 177.584 -0.078 0.000 1.182 170 A CA 2.016 53.995 52.037 -0.097 0.000 0.633 170 A CB -1.273 17.662 19.000 -0.109 0.000 0.819 170 A HN 0.608 nan 8.150 nan 0.000 0.448 171 A N -1.259 121.519 122.820 -0.069 0.000 2.067 171 A HA -0.118 4.203 4.320 0.002 0.000 0.219 171 A C 1.960 179.512 177.584 -0.052 0.000 1.158 171 A CA 1.444 53.447 52.037 -0.056 0.000 0.661 171 A CB -0.333 18.637 19.000 -0.050 0.000 0.801 171 A HN 0.681 nan 8.150 nan 0.000 0.452 172 Q N -0.946 118.818 119.800 -0.060 0.000 2.319 172 Q HA 0.315 4.656 4.340 0.002 0.000 0.202 172 Q C -0.457 175.515 176.000 -0.045 0.000 0.896 172 Q CA -0.108 55.664 55.803 -0.052 0.000 0.942 172 Q CB 0.470 29.171 28.738 -0.062 0.000 1.083 172 Q HN 0.608 nan 8.270 nan 0.000 0.510 173 I N 1.408 121.947 120.570 -0.051 0.000 2.325 173 I HA 0.037 4.208 4.170 0.002 0.000 0.291 173 I C 0.924 177.023 176.117 -0.029 0.000 1.019 173 I CA 0.059 61.333 61.300 -0.043 0.000 1.302 173 I CB 1.171 39.132 38.000 -0.065 0.000 1.401 173 I HN 0.123 nan 8.210 nan 0.000 0.485 174 E N 3.399 123.591 120.200 -0.013 0.000 2.276 174 E HA -0.019 4.332 4.350 0.002 0.000 0.193 174 E C 0.529 177.134 176.600 0.009 0.000 0.983 174 E CA 0.075 56.473 56.400 -0.004 0.000 0.861 174 E CB 0.341 30.042 29.700 0.001 0.000 0.817 174 E HN 0.494 nan 8.360 nan 0.000 0.485 175 E N 3.052 123.264 120.200 0.021 0.000 2.383 175 E HA -0.041 4.310 4.350 0.002 0.000 0.257 175 E C -1.602 175.020 176.600 0.038 0.000 1.079 175 E CA -1.406 55.021 56.400 0.046 0.000 0.934 175 E CB 0.920 30.672 29.700 0.086 0.000 0.978 175 E HN 0.019 nan 8.360 nan 0.000 0.462 176 P HA -0.167 nan 4.420 nan 0.000 0.216 176 P C 1.541 178.878 177.300 0.063 0.000 1.153 176 P CA 0.548 63.670 63.100 0.036 0.000 0.848 176 P CB 0.260 31.980 31.700 0.034 0.000 0.787 177 I N -0.179 120.455 120.570 0.108 0.000 2.118 177 I HA -0.213 3.958 4.170 0.002 0.000 0.241 177 I C 2.603 178.802 176.117 0.136 0.000 1.070 177 I CA 1.150 62.556 61.300 0.177 0.000 1.327 177 I CB -2.012 36.141 38.000 0.254 0.000 1.034 177 I HN -0.039 nan 8.210 nan 0.000 0.405 178 L N 1.137 122.363 121.223 0.006 0.000 2.083 178 L HA -0.090 4.251 4.340 0.002 0.000 0.209 178 L C 2.538 179.287 176.870 -0.202 0.000 1.083 178 L CA 1.972 56.631 54.840 -0.301 0.000 0.752 178 L CB -0.785 40.974 42.059 -0.500 0.000 0.899 178 L HN 0.206 nan 8.230 nan 0.000 0.433 179 A N -0.587 122.171 122.820 -0.103 0.000 1.877 179 A HA -0.087 4.234 4.320 0.002 0.000 0.216 179 A C 2.363 179.870 177.584 -0.129 0.000 1.186 179 A CA 1.553 53.528 52.037 -0.102 0.000 0.620 179 A CB -1.587 17.380 19.000 -0.056 0.000 0.822 179 A HN 0.503 nan 8.150 nan 0.000 0.443 180 G N -0.228 108.534 108.800 -0.063 0.000 2.440 180 G HA2 -0.233 3.728 3.960 0.002 0.000 0.218 180 G HA3 -0.233 3.728 3.960 0.002 0.000 0.218 180 G C 1.615 176.250 174.900 -0.441 0.000 1.154 180 G CA 1.086 46.153 45.100 -0.055 0.000 0.767 180 G HN 0.493 nan 8.290 nan 0.000 0.552 181 L N 0.202 121.141 121.223 -0.473 0.000 1.994 181 L HA -0.050 4.291 4.340 0.002 0.000 0.208 181 L C 2.720 179.210 176.870 -0.633 0.000 1.071 181 L CA 1.101 55.467 54.840 -0.791 0.000 0.745 181 L CB -0.187 41.647 42.059 -0.375 0.000 0.892 181 L HN 0.081 nan 8.230 nan 0.000 0.431 182 I N 0.171 120.504 120.570 -0.395 0.000 2.286 182 I HA -0.290 3.881 4.170 0.002 0.000 0.248 182 I C 2.200 178.125 176.117 -0.320 0.000 1.115 182 I CA 1.739 62.856 61.300 -0.305 0.000 1.392 182 I CB -1.461 36.421 38.000 -0.198 0.000 1.065 182 I HN 0.446 nan 8.210 nan 0.000 0.418 183 D N 0.762 120.969 120.400 -0.321 0.000 2.117 183 D HA -0.206 4.435 4.640 0.002 0.000 0.197 183 D C 2.297 178.360 176.300 -0.394 0.000 0.987 183 D CA 1.145 54.972 54.000 -0.287 0.000 0.829 183 D CB 0.184 40.845 40.800 -0.231 0.000 0.961 183 D HN -0.035 nan 8.370 nan 0.000 0.460 184 R N 0.276 120.382 120.500 -0.658 0.000 2.083 184 R HA -0.083 4.258 4.340 0.002 0.000 0.237 184 R C 2.533 178.495 176.300 -0.563 0.000 1.137 184 R CA 0.831 56.390 56.100 -0.902 0.000 0.951 184 R CB -1.028 28.017 30.300 -2.092 0.000 0.851 184 R HN 0.430 nan 8.270 nan 0.000 0.434 185 I N 0.507 120.756 120.570 -0.535 0.000 2.163 185 I HA -0.287 3.884 4.170 0.002 0.000 0.243 185 I C 2.470 178.383 176.117 -0.341 0.000 1.085 185 I CA 1.459 62.467 61.300 -0.488 0.000 1.347 185 I CB -0.511 37.164 38.000 -0.540 0.000 1.044 185 I HN 0.109 nan 8.210 nan 0.000 0.408 186 A N 0.965 123.630 122.820 -0.257 0.000 1.908 186 A HA -0.231 4.090 4.320 0.002 0.000 0.218 186 A C 2.387 179.900 177.584 -0.118 0.000 1.181 186 A CA 1.667 53.612 52.037 -0.155 0.000 0.627 186 A CB -0.624 18.301 19.000 -0.125 0.000 0.818 186 A HN 0.342 nan 8.150 nan 0.000 0.445 187 R N -0.482 119.939 120.500 -0.133 0.000 2.096 187 R HA -0.110 4.231 4.340 0.002 0.000 0.235 187 R C 1.545 177.824 176.300 -0.036 0.000 1.127 187 R CA 1.373 57.425 56.100 -0.080 0.000 0.968 187 R CB -0.362 29.879 30.300 -0.099 0.000 0.861 187 R HN 0.485 nan 8.270 nan 0.000 0.440 188 D N 0.500 120.881 120.400 -0.032 0.000 2.117 188 D HA -0.127 4.514 4.640 0.002 0.000 0.198 188 D C 1.829 177.959 176.300 -0.283 0.000 0.982 188 D CA 1.007 54.979 54.000 -0.046 0.000 0.828 188 D CB -0.052 40.846 40.800 0.163 0.000 0.967 188 D HN 0.179 nan 8.370 nan 0.000 0.464 189 E N 0.580 120.666 120.200 -0.190 0.000 2.110 189 E HA -0.088 4.263 4.350 0.002 0.000 0.193 189 E C 2.441 179.092 176.600 0.084 0.000 0.988 189 E CA 0.249 56.609 56.400 -0.067 0.000 0.804 189 E CB -0.254 29.434 29.700 -0.019 0.000 0.745 189 E HN 0.171 nan 8.360 nan 0.000 0.458 190 V N 1.511 121.453 119.914 0.048 0.000 2.332 190 V HA -0.273 3.848 4.120 0.002 0.000 0.248 190 V C 2.413 178.600 176.094 0.154 0.000 1.055 190 V CA 1.932 64.280 62.300 0.079 0.000 1.038 190 V CB -0.466 31.375 31.823 0.030 0.000 0.651 190 V HN 0.186 nan 8.190 nan 0.000 0.450 191 R N -1.111 119.496 120.500 0.178 0.000 2.096 191 R HA -0.117 4.224 4.340 0.002 0.000 0.235 191 R C 2.231 178.874 176.300 0.573 0.000 1.127 191 R CA 1.619 57.905 56.100 0.310 0.000 0.968 191 R CB -0.428 30.030 30.300 0.263 0.000 0.861 191 R HN 0.685 nan 8.270 nan 0.000 0.440 192 H N -0.313 119.060 119.070 0.505 0.000 2.326 192 H HA -0.101 4.456 4.556 0.002 0.000 0.301 192 H C 2.110 177.769 175.328 0.552 0.000 1.081 192 H CA 0.931 57.373 56.048 0.657 0.000 1.334 192 H CB 0.123 30.344 29.762 0.765 0.000 1.385 192 H HN 0.289 nan 8.280 nan 0.000 0.504 193 E N 1.274 121.800 120.200 0.544 0.000 2.085 193 E HA -0.237 4.114 4.350 0.002 0.000 0.194 193 E C 2.175 178.955 176.600 0.298 0.000 0.994 193 E CA 1.208 57.843 56.400 0.391 0.000 0.801 193 E CB 0.066 29.893 29.700 0.212 0.000 0.743 193 E HN 0.527 nan 8.360 nan 0.000 0.453 194 E N -0.359 119.982 120.200 0.236 0.000 2.051 194 E HA -0.202 4.149 4.350 0.002 0.000 0.192 194 E C 1.997 178.668 176.600 0.119 0.000 0.991 194 E CA 1.014 57.492 56.400 0.129 0.000 0.799 194 E CB -0.316 29.442 29.700 0.096 0.000 0.748 194 E HN 0.338 nan 8.360 nan 0.000 0.449 195 F N -0.147 119.777 119.950 -0.044 0.000 2.051 195 F HA -0.223 4.305 4.527 0.001 0.000 0.296 195 F C 1.887 177.542 175.800 -0.242 0.000 1.122 195 F CA 1.467 59.267 58.000 -0.333 0.000 1.201 195 F CB -0.170 38.326 39.000 -0.841 0.000 0.978 195 F HN 0.049 nan 8.300 nan 0.000 0.472 196 F N 0.315 120.505 119.950 0.400 0.000 2.134 196 F HA -0.151 4.377 4.527 0.002 0.000 0.299 196 F C 2.505 178.477 175.800 0.286 0.000 1.097 196 F CA 1.133 59.336 58.000 0.339 0.000 1.264 196 F CB -1.424 37.751 39.000 0.292 0.000 1.001 196 F HN 0.008 nan 8.300 nan 0.000 0.479 197 A N 0.068 123.147 122.820 0.432 0.000 1.969 197 A HA -0.172 4.149 4.320 0.002 0.000 0.218 197 A C 2.069 179.892 177.584 0.400 0.000 1.169 197 A CA 1.726 54.036 52.037 0.455 0.000 0.635 197 A CB -0.698 18.417 19.000 0.193 0.000 0.810 197 A HN 0.323 nan 8.150 nan 0.000 0.445 198 N N 0.222 119.039 118.700 0.195 0.000 2.244 198 N HA -0.059 4.682 4.740 0.002 0.000 0.183 198 N C 1.577 177.147 175.510 0.099 0.000 1.016 198 N CA 1.109 54.212 53.050 0.089 0.000 0.866 198 N CB -0.433 37.997 38.487 -0.095 0.000 0.980 198 N HN 0.528 nan 8.380 nan 0.000 0.430 199 L N -0.006 121.298 121.223 0.135 0.000 2.093 199 L HA -0.066 4.275 4.340 0.002 0.000 0.208 199 L C 2.088 179.039 176.870 0.135 0.000 1.085 199 L CA 0.653 55.581 54.840 0.147 0.000 0.755 199 L CB -0.416 41.785 42.059 0.237 0.000 0.904 199 L HN -0.031 nan 8.230 nan 0.000 0.435 200 V N -0.514 119.484 119.914 0.141 0.000 2.427 200 V HA -0.255 3.866 4.120 0.002 0.000 0.248 200 V C 2.569 178.556 176.094 -0.178 0.000 1.051 200 V CA 2.186 64.450 62.300 -0.060 0.000 1.048 200 V CB -0.674 31.044 31.823 -0.176 0.000 0.666 200 V HN 0.464 nan 8.190 nan 0.000 0.456 201 T N -1.052 113.507 114.554 0.007 0.000 2.684 201 T HA -0.283 4.068 4.350 0.002 0.000 0.267 201 T C 1.903 176.618 174.700 0.026 0.000 1.036 201 T CA 2.220 64.335 62.100 0.024 0.000 1.148 201 T CB -0.384 68.589 68.868 0.175 0.000 0.863 201 T HN 0.640 nan 8.240 nan 0.000 0.436 202 H N -0.127 118.931 119.070 -0.021 0.000 2.421 202 H HA -0.031 4.526 4.556 0.001 0.000 0.298 202 H C 2.217 177.550 175.328 0.007 0.000 1.087 202 H CA 1.112 57.150 56.048 -0.016 0.000 1.330 202 H CB -0.630 29.111 29.762 -0.035 0.000 1.388 202 H HN 0.367 nan 8.280 nan 0.000 0.526 203 C N -0.315 118.956 119.300 -0.047 0.000 2.446 203 C HA -0.059 4.402 4.460 0.002 0.000 0.277 203 C C 2.891 177.801 174.990 -0.133 0.000 1.275 203 C CA 0.711 59.684 59.018 -0.074 0.000 1.727 203 C CB -1.095 26.602 27.740 -0.071 0.000 2.010 203 C HN 0.544 nan 8.230 nan 0.000 0.486 204 L N 0.861 121.980 121.223 -0.174 0.000 2.127 204 L HA -0.183 4.158 4.340 0.002 0.000 0.211 204 L C 2.188 178.984 176.870 -0.124 0.000 1.089 204 L CA 1.464 56.202 54.840 -0.169 0.000 0.757 204 L CB -0.569 41.374 42.059 -0.194 0.000 0.899 204 L HN 0.376 nan 8.230 nan 0.000 0.434 205 D N -1.441 118.886 120.400 -0.122 0.000 2.123 205 D HA -0.200 4.441 4.640 0.002 0.000 0.200 205 D C 1.842 178.079 176.300 -0.104 0.000 0.976 205 D CA 1.134 55.070 54.000 -0.107 0.000 0.831 205 D CB -0.141 40.597 40.800 -0.104 0.000 0.974 205 D HN 0.286 nan 8.370 nan 0.000 0.469 206 Y N 0.759 120.865 120.300 -0.323 0.000 2.206 206 Y HA 0.029 4.580 4.550 0.001 0.000 0.292 206 Y C 0.774 176.576 175.900 -0.163 0.000 1.123 206 Y CA 1.070 59.011 58.100 -0.265 0.000 1.142 206 Y CB 0.268 38.516 38.460 -0.354 0.000 1.006 206 Y HN -0.182 nan 8.280 nan 0.000 0.518 207 T N 1.634 116.000 114.554 -0.314 0.000 3.418 207 T HA 0.243 4.594 4.350 0.002 0.000 0.315 207 T C 0.850 175.424 174.700 -0.209 0.000 1.447 207 T CA -0.501 61.378 62.100 -0.368 0.000 1.641 207 T CB -0.123 68.488 68.868 -0.428 0.000 0.904 207 T HN 0.382 nan 8.240 nan 0.000 0.640 208 R N 1.247 121.643 120.500 -0.173 0.000 2.080 208 R HA -0.085 4.256 4.340 0.002 0.000 0.236 208 R C 1.126 177.360 176.300 -0.110 0.000 1.137 208 R CA 2.217 58.241 56.100 -0.127 0.000 0.943 208 R CB 0.051 30.292 30.300 -0.098 0.000 0.846 208 R HN 0.501 nan 8.270 nan 0.000 0.431 209 D N -0.230 120.110 120.400 -0.100 0.000 2.234 209 D HA -0.125 4.516 4.640 0.002 0.000 0.205 209 D C 1.623 177.878 176.300 -0.076 0.000 0.962 209 D CA 0.658 54.613 54.000 -0.074 0.000 0.855 209 D CB -0.047 40.715 40.800 -0.062 0.000 0.951 209 D HN 0.413 nan 8.370 nan 0.000 0.500 210 E N 0.471 120.613 120.200 -0.096 0.000 2.038 210 E HA -0.147 4.204 4.350 0.002 0.000 0.195 210 E C 1.649 178.190 176.600 -0.097 0.000 1.000 210 E CA 1.352 57.696 56.400 -0.093 0.000 0.803 210 E CB 0.221 29.856 29.700 -0.109 0.000 0.750 210 E HN 0.104 nan 8.360 nan 0.000 0.448 211 T N 1.318 115.800 114.554 -0.120 0.000 2.746 211 T HA -0.132 4.219 4.350 0.002 0.000 0.267 211 T C 1.952 176.571 174.700 -0.135 0.000 1.039 211 T CA 1.258 63.268 62.100 -0.150 0.000 1.142 211 T CB -0.205 68.546 68.868 -0.196 0.000 0.866 211 T HN 0.174 nan 8.240 nan 0.000 0.444 212 I N 1.401 121.911 120.570 -0.100 0.000 2.208 212 I HA -0.207 3.963 4.170 0.002 0.000 0.245 212 I C 2.945 179.051 176.117 -0.019 0.000 1.097 212 I CA 1.203 62.474 61.300 -0.049 0.000 1.363 212 I CB -0.504 37.481 38.000 -0.024 0.000 1.051 212 I HN 0.205 nan 8.210 nan 0.000 0.413 213 A N 0.710 123.511 122.820 -0.031 0.000 1.902 213 A HA -0.155 4.166 4.320 0.002 0.000 0.217 213 A C 2.547 180.111 177.584 -0.034 0.000 1.181 213 A CA 1.820 53.846 52.037 -0.020 0.000 0.623 213 A CB -0.801 18.181 19.000 -0.030 0.000 0.818 213 A HN 0.439 nan 8.150 nan 0.000 0.443 214 A N -0.090 122.694 122.820 -0.060 0.000 1.902 214 A HA -0.082 4.239 4.320 0.002 0.000 0.217 214 A C 2.107 179.671 177.584 -0.033 0.000 1.181 214 A CA 1.551 53.542 52.037 -0.077 0.000 0.623 214 A CB -0.584 18.356 19.000 -0.100 0.000 0.818 214 A HN 0.505 nan 8.150 nan 0.000 0.443 215 I N -0.374 120.198 120.570 0.003 0.000 2.252 215 I HA -0.235 3.936 4.170 0.002 0.000 0.245 215 I C 2.954 179.072 176.117 0.001 0.000 1.102 215 I CA 0.908 62.279 61.300 0.118 0.000 1.385 215 I CB -0.326 37.758 38.000 0.140 0.000 1.064 215 I HN 0.348 nan 8.210 nan 0.000 0.414 216 A N 0.849 123.665 122.820 -0.006 0.000 1.908 216 A HA -0.190 4.131 4.320 0.002 0.000 0.218 216 A C 2.534 180.042 177.584 -0.127 0.000 1.181 216 A CA 2.020 54.043 52.037 -0.024 0.000 0.627 216 A CB -0.842 18.234 19.000 0.126 0.000 0.818 216 A HN 0.429 nan 8.150 nan 0.000 0.445 217 A N -0.829 121.946 122.820 -0.076 0.000 1.898 217 A HA -0.096 4.225 4.320 0.002 0.000 0.216 217 A C 2.207 179.711 177.584 -0.133 0.000 1.181 217 A CA 1.387 53.381 52.037 -0.072 0.000 0.620 217 A CB -0.398 18.570 19.000 -0.054 0.000 0.819 217 A HN 0.355 nan 8.150 nan 0.000 0.442 218 R N -0.114 120.283 120.500 -0.171 0.000 2.073 218 R HA -0.054 4.287 4.340 0.002 0.000 0.234 218 R C 2.409 178.432 176.300 -0.461 0.000 1.134 218 R CA 1.469 57.430 56.100 -0.230 0.000 0.952 218 R CB -1.451 28.751 30.300 -0.164 0.000 0.850 218 R HN 0.515 nan 8.270 nan 0.000 0.433 219 A N 0.931 123.348 122.820 -0.672 0.000 1.940 219 A HA -0.112 4.209 4.320 0.002 0.000 0.219 219 A C 2.288 179.448 177.584 -0.707 0.000 1.176 219 A CA 2.024 53.506 52.037 -0.925 0.000 0.631 219 A CB -0.492 17.654 19.000 -1.423 0.000 0.814 219 A HN 0.362 nan 8.150 nan 0.000 0.446 220 A N 0.062 122.598 122.820 -0.473 0.000 2.021 220 A HA 0.026 4.347 4.320 0.002 0.000 0.216 220 A C 1.640 179.217 177.584 -0.012 0.000 1.163 220 A CA 1.733 53.750 52.037 -0.034 0.000 0.676 220 A CB -0.250 18.835 19.000 0.141 0.000 0.818 220 A HN 0.635 nan 8.150 nan 0.000 0.453 221 D N -1.311 119.052 120.400 -0.061 0.000 2.407 221 D HA 0.141 4.782 4.640 0.002 0.000 0.208 221 D C 0.392 176.706 176.300 0.023 0.000 1.083 221 D CA -0.278 53.725 54.000 0.005 0.000 0.844 221 D CB -0.467 40.351 40.800 0.029 0.000 0.967 221 D HN 0.298 nan 8.370 nan 0.000 0.506 222 L N 1.056 122.261 121.223 -0.031 0.000 2.453 222 L HA 0.178 4.519 4.340 0.002 0.000 0.272 222 L C 0.447 177.362 176.870 0.076 0.000 1.182 222 L CA 0.386 55.239 54.840 0.023 0.000 0.858 222 L CB 0.617 42.625 42.059 -0.084 0.000 1.120 222 L HN 0.071 nan 8.230 nan 0.000 0.474 223 D N 0.861 121.343 120.400 0.136 0.000 2.467 223 D HA 0.373 5.014 4.640 0.002 0.000 0.245 223 D C -0.820 175.612 176.300 0.222 0.000 1.038 223 D CA -0.389 53.701 54.000 0.150 0.000 1.038 223 D CB 2.166 43.046 40.800 0.134 0.000 1.278 223 D HN 0.192 nan 8.370 nan 0.000 0.564 224 V N -0.315 119.750 119.914 0.253 0.000 2.963 224 V HA 0.261 4.382 4.120 0.002 0.000 0.306 224 V C 0.531 176.788 176.094 0.272 0.000 1.077 224 V CA -0.544 62.004 62.300 0.413 0.000 1.124 224 V CB 0.090 32.165 31.823 0.420 0.000 0.987 224 V HN 0.398 nan 8.190 nan 0.000 0.487 225 L N 4.596 125.909 121.223 0.150 0.000 2.559 225 L HA 0.412 4.753 4.340 0.002 0.000 0.274 225 L C 1.564 178.467 176.870 0.054 0.000 1.205 225 L CA 1.138 55.943 54.840 -0.057 0.000 0.907 225 L CB -0.196 41.574 42.059 -0.481 0.000 1.153 225 L HN 1.286 nan 8.230 nan 0.000 0.490 226 G N 2.170 111.008 108.800 0.064 0.000 2.175 226 G HA2 -0.315 3.646 3.960 0.002 0.000 0.244 226 G HA3 -0.315 3.646 3.960 0.002 0.000 0.244 226 G C 1.015 175.978 174.900 0.105 0.000 0.982 226 G CA 0.438 45.585 45.100 0.079 0.000 0.641 226 G HN 0.862 nan 8.290 nan 0.000 0.527 227 A N 1.196 124.088 122.820 0.121 0.000 2.032 227 A HA -0.008 4.313 4.320 0.002 0.000 0.221 227 A C 2.016 179.645 177.584 0.074 0.000 1.165 227 A CA 2.362 54.466 52.037 0.112 0.000 0.645 227 A CB -0.376 18.697 19.000 0.122 0.000 0.807 227 A HN 0.931 nan 8.150 nan 0.000 0.453 228 D N -0.582 119.849 120.400 0.052 0.000 2.340 228 D HA 0.069 4.710 4.640 0.002 0.000 0.220 228 D C 0.379 176.665 176.300 -0.023 0.000 1.039 228 D CA -0.087 53.922 54.000 0.017 0.000 0.866 228 D CB -0.378 40.427 40.800 0.009 0.000 0.913 228 D HN 0.475 nan 8.370 nan 0.000 0.523 229 I N 1.671 122.216 120.570 -0.041 0.000 2.337 229 I HA 0.046 4.217 4.170 0.002 0.000 0.291 229 I C 0.529 176.604 176.117 -0.071 0.000 1.046 229 I CA -0.768 60.443 61.300 -0.149 0.000 1.324 229 I CB 0.723 38.495 38.000 -0.380 0.000 1.409 229 I HN -0.232 nan 8.210 nan 0.000 0.494 230 E N 6.591 126.746 120.200 -0.075 0.000 2.606 230 E HA 0.106 4.457 4.350 0.002 0.000 0.248 230 E C 0.748 177.385 176.600 0.062 0.000 1.005 230 E CA 1.010 57.404 56.400 -0.009 0.000 0.946 230 E CB 0.150 29.834 29.700 -0.027 0.000 0.928 230 E HN 0.750 nan 8.360 nan 0.000 0.494 231 A N 4.386 127.277 122.820 0.118 0.000 3.031 231 A HA -0.222 4.099 4.320 0.002 0.000 0.244 231 A C 0.098 177.874 177.584 0.321 0.000 1.341 231 A CA 1.024 53.165 52.037 0.173 0.000 0.943 231 A CB -2.311 16.776 19.000 0.146 0.000 1.122 231 A HN 0.572 nan 8.150 nan 0.000 0.760 232 Y N -1.330 118.989 120.300 0.032 0.000 2.584 232 Y HA 0.363 4.914 4.550 0.002 0.000 0.254 232 Y C 2.236 178.166 175.900 0.049 0.000 1.177 232 Y CA 0.946 59.070 58.100 0.040 0.000 1.216 232 Y CB -0.421 38.065 38.460 0.043 0.000 1.172 232 Y HN 0.691 nan 8.280 nan 0.000 0.529 233 R N 0.139 120.734 120.500 0.157 0.000 2.096 233 R HA -0.184 4.157 4.340 0.002 0.000 0.240 233 R C 1.648 177.990 176.300 0.069 0.000 1.139 233 R CA 2.380 58.543 56.100 0.105 0.000 0.952 233 R CB -1.249 29.099 30.300 0.080 0.000 0.854 233 R HN 0.261 nan 8.270 nan 0.000 0.436 234 D N 0.144 120.567 120.400 0.038 0.000 2.097 234 D HA -0.096 4.545 4.640 0.002 0.000 0.195 234 D C 1.952 178.247 176.300 -0.009 0.000 0.989 234 D CA 1.639 55.644 54.000 0.009 0.000 0.827 234 D CB -0.110 40.685 40.800 -0.010 0.000 0.966 234 D HN 0.622 nan 8.370 nan 0.000 0.456 235 K N 0.300 120.666 120.400 -0.056 0.000 2.026 235 K HA -0.051 4.270 4.320 0.002 0.000 0.208 235 K C 2.340 178.960 176.600 0.033 0.000 1.048 235 K CA 0.624 56.867 56.287 -0.073 0.000 0.929 235 K CB -0.244 32.099 32.500 -0.262 0.000 0.713 235 K HN 0.164 nan 8.250 nan 0.000 0.439 236 L N 1.010 122.289 121.223 0.093 0.000 2.042 236 L HA -0.242 4.099 4.340 0.002 0.000 0.210 236 L C 2.773 179.705 176.870 0.104 0.000 1.076 236 L CA 1.257 56.183 54.840 0.144 0.000 0.749 236 L CB -0.434 41.726 42.059 0.169 0.000 0.893 236 L HN 0.226 nan 8.230 nan 0.000 0.432 237 Q N 0.415 120.257 119.800 0.070 0.000 2.119 237 Q HA -0.194 4.147 4.340 0.002 0.000 0.201 237 Q C 1.918 177.938 176.000 0.033 0.000 0.972 237 Q CA 1.687 57.520 55.803 0.049 0.000 0.847 237 Q CB -0.203 28.558 28.738 0.038 0.000 0.903 237 Q HN 0.308 nan 8.270 nan 0.000 0.433 238 N N -0.757 117.957 118.700 0.024 0.000 2.084 238 N HA -0.141 4.600 4.740 0.002 0.000 0.190 238 N C 1.610 177.123 175.510 0.006 0.000 1.030 238 N CA 1.740 54.796 53.050 0.009 0.000 0.849 238 N CB -0.177 38.309 38.487 -0.001 0.000 1.012 238 N HN 0.300 nan 8.380 nan 0.000 0.423 239 V N -1.593 118.334 119.914 0.021 0.000 2.548 239 V HA 0.091 4.212 4.120 0.002 0.000 0.249 239 V C 2.089 178.184 176.094 0.000 0.000 1.055 239 V CA 1.657 63.954 62.300 -0.004 0.000 1.065 239 V CB -1.161 30.666 31.823 0.008 0.000 0.681 239 V HN 0.256 nan 8.190 nan 0.000 0.462 240 A N 0.692 123.535 122.820 0.037 0.000 1.902 240 A HA -0.199 4.122 4.320 0.002 0.000 0.217 240 A C 1.918 179.497 177.584 -0.008 0.000 1.181 240 A CA 1.997 54.046 52.037 0.020 0.000 0.623 240 A CB -0.880 18.143 19.000 0.038 0.000 0.818 240 A HN 0.569 nan 8.150 nan 0.000 0.443 241 D N 0.121 120.518 120.400 -0.004 0.000 2.178 241 D HA -0.030 4.611 4.640 0.002 0.000 0.201 241 D C 1.981 178.269 176.300 -0.021 0.000 0.980 241 D CA 1.422 55.416 54.000 -0.010 0.000 0.842 241 D CB -0.337 40.460 40.800 -0.004 0.000 0.948 241 D HN 0.441 nan 8.370 nan 0.000 0.472 242 A N -0.262 122.541 122.820 -0.028 0.000 2.206 242 A HA 0.331 4.652 4.320 0.002 0.000 0.211 242 A C 1.848 179.402 177.584 -0.051 0.000 1.158 242 A CA 1.238 53.251 52.037 -0.040 0.000 0.761 242 A CB -0.331 18.640 19.000 -0.050 0.000 0.801 242 A HN 0.266 nan 8.150 nan 0.000 0.473 243 G N -0.977 107.792 108.800 -0.052 0.000 2.148 243 G HA2 -0.302 3.659 3.960 0.002 0.000 0.254 243 G HA3 -0.302 3.659 3.960 0.002 0.000 0.254 243 G C 0.783 175.636 174.900 -0.079 0.000 0.981 243 G CA 0.601 45.664 45.100 -0.061 0.000 0.670 243 G HN 0.442 nan 8.290 nan 0.000 0.528 244 I N -1.673 118.835 120.570 -0.104 0.000 2.162 244 I HA 0.315 4.486 4.170 0.002 0.000 0.238 244 I C 0.977 177.053 176.117 -0.068 0.000 1.076 244 I CA 1.200 62.395 61.300 -0.174 0.000 1.353 244 I CB 0.035 37.834 38.000 -0.335 0.000 1.063 244 I HN 0.209 nan 8.210 nan 0.000 0.408 245 F N -0.312 119.513 119.950 -0.210 0.000 2.635 245 F HA 0.596 5.126 4.527 0.005 0.000 0.314 245 F C -0.118 175.692 175.800 0.017 0.000 1.119 245 F CA -0.406 57.562 58.000 -0.054 0.000 1.000 245 F CB 1.652 40.702 39.000 0.084 0.000 1.278 245 F HN -0.039 nan 8.300 nan 0.000 0.446 246 G N 2.162 110.766 108.800 -0.327 0.000 2.490 246 G HA2 0.290 4.251 3.960 0.002 0.000 0.308 246 G HA3 0.290 4.251 3.960 0.002 0.000 0.308 246 G C -0.518 174.223 174.900 -0.264 0.000 1.286 246 G CA -0.389 44.628 45.100 -0.138 0.000 0.825 246 G HN 0.470 nan 8.290 nan 0.000 0.479 247 K N 0.006 120.344 120.400 -0.104 0.000 2.097 247 K HA 0.018 4.339 4.320 0.002 0.000 0.206 247 K C -0.379 176.152 176.600 -0.115 0.000 1.049 247 K CA 2.193 58.434 56.287 -0.077 0.000 0.933 247 K CB -1.062 31.430 32.500 -0.014 0.000 0.717 247 K HN 0.407 nan 8.250 nan 0.000 0.442 248 P HA -0.087 nan 4.420 nan 0.000 0.216 248 P C 1.280 178.485 177.300 -0.158 0.000 1.153 248 P CA 1.134 64.171 63.100 -0.106 0.000 0.844 248 P CB -0.019 31.631 31.700 -0.084 0.000 0.787 249 Q N -0.893 118.739 119.800 -0.279 0.000 2.124 249 Q HA -0.114 4.227 4.340 0.002 0.000 0.202 249 Q C 2.057 177.847 176.000 -0.350 0.000 0.977 249 Q CA 1.021 56.616 55.803 -0.346 0.000 0.850 249 Q CB -1.267 27.150 28.738 -0.535 0.000 0.901 249 Q HN 0.144 nan 8.270 nan 0.000 0.429 250 L N 0.461 121.422 121.223 -0.437 0.000 2.027 250 L HA -0.131 4.210 4.340 0.002 0.000 0.206 250 L C 2.259 179.106 176.870 -0.038 0.000 1.074 250 L CA 1.821 56.545 54.840 -0.193 0.000 0.745 250 L CB -0.482 41.513 42.059 -0.106 0.000 0.898 250 L HN 0.103 nan 8.230 nan 0.000 0.433 251 R N -0.934 119.542 120.500 -0.041 0.000 2.094 251 R HA -0.262 4.079 4.340 0.002 0.000 0.239 251 R C 2.381 178.700 176.300 0.032 0.000 1.137 251 R CA 2.102 58.212 56.100 0.017 0.000 0.943 251 R CB -0.383 29.925 30.300 0.013 0.000 0.850 251 R HN 0.429 nan 8.270 nan 0.000 0.433 252 Q N 0.788 120.587 119.800 -0.001 0.000 2.061 252 Q HA -0.166 4.175 4.340 0.002 0.000 0.204 252 Q C 2.157 178.183 176.000 0.042 0.000 0.984 252 Q CA 2.164 57.976 55.803 0.015 0.000 0.846 252 Q CB -0.385 28.346 28.738 -0.011 0.000 0.902 252 Q HN 0.500 nan 8.270 nan 0.000 0.421 253 L N -2.078 119.174 121.223 0.048 0.000 2.141 253 L HA 0.027 4.368 4.340 0.002 0.000 0.209 253 L C 2.068 179.029 176.870 0.152 0.000 1.094 253 L CA 1.494 56.389 54.840 0.091 0.000 0.763 253 L CB -0.728 41.411 42.059 0.135 0.000 0.908 253 L HN 0.146 nan 8.230 nan 0.000 0.437 254 I N 0.046 120.726 120.570 0.184 0.000 2.179 254 I HA -0.284 3.887 4.170 0.002 0.000 0.242 254 I C 2.862 179.130 176.117 0.251 0.000 1.088 254 I CA 1.643 63.111 61.300 0.279 0.000 1.357 254 I CB -0.506 37.560 38.000 0.110 0.000 1.051 254 I HN 0.479 nan 8.210 nan 0.000 0.409 255 S N 0.657 116.460 115.700 0.171 0.000 2.365 255 S HA -0.249 4.222 4.470 0.002 0.000 0.225 255 S C 1.732 176.391 174.600 0.098 0.000 1.039 255 S CA 2.093 60.381 58.200 0.147 0.000 1.033 255 S CB -0.371 62.893 63.200 0.108 0.000 0.887 255 S HN 0.390 nan 8.310 nan 0.000 0.447 256 D N 0.548 120.983 120.400 0.058 0.000 2.144 256 D HA -0.096 4.545 4.640 0.002 0.000 0.199 256 D C 2.155 178.413 176.300 -0.070 0.000 0.984 256 D CA 0.998 54.999 54.000 0.001 0.000 0.834 256 D CB -0.392 40.401 40.800 -0.011 0.000 0.955 256 D HN 0.315 nan 8.370 nan 0.000 0.465 257 R N 0.809 121.256 120.500 -0.090 0.000 2.073 257 R HA 0.045 4.386 4.340 0.002 0.000 0.229 257 R C 2.251 178.355 176.300 -0.326 0.000 1.120 257 R CA 0.713 56.591 56.100 -0.371 0.000 0.967 257 R CB -0.701 29.316 30.300 -0.472 0.000 0.862 257 R HN 0.156 nan 8.270 nan 0.000 0.436 258 I N -0.066 120.534 120.570 0.050 0.000 2.179 258 I HA -0.279 3.892 4.170 0.002 0.000 0.242 258 I C 1.801 178.018 176.117 0.167 0.000 1.088 258 I CA 1.841 63.293 61.300 0.254 0.000 1.357 258 I CB -0.400 37.780 38.000 0.300 0.000 1.051 258 I HN 0.230 nan 8.210 nan 0.000 0.409 259 T N 0.706 115.308 114.554 0.080 0.000 2.708 259 T HA -0.172 4.179 4.350 0.002 0.000 0.266 259 T C 2.001 176.710 174.700 0.015 0.000 1.037 259 T CA 1.502 63.634 62.100 0.054 0.000 1.146 259 T CB -0.337 68.551 68.868 0.033 0.000 0.865 259 T HN 0.484 nan 8.240 nan 0.000 0.435 260 A N 0.515 123.284 122.820 -0.084 0.000 2.015 260 A HA -0.066 4.255 4.320 0.002 0.000 0.219 260 A C 1.869 179.395 177.584 -0.097 0.000 1.163 260 A CA 0.809 52.760 52.037 -0.144 0.000 0.646 260 A CB -0.732 18.101 19.000 -0.279 0.000 0.806 260 A HN 0.613 nan 8.150 nan 0.000 0.448 261 W N -0.817 120.479 121.300 -0.007 0.000 3.077 261 W HA 0.282 4.943 4.660 0.002 0.000 0.245 261 W C 1.538 178.062 176.519 0.008 0.000 1.316 261 W CA 0.684 58.026 57.345 -0.005 0.000 1.537 261 W CB -0.809 28.643 29.460 -0.012 0.000 1.131 261 W HN 0.607 nan 8.180 nan 0.000 0.695 262 G N 0.480 109.393 108.800 0.188 0.000 2.136 262 G HA2 -0.298 3.663 3.960 0.002 0.000 0.242 262 G HA3 -0.298 3.663 3.960 0.002 0.000 0.242 262 G C 0.507 175.482 174.900 0.125 0.000 0.989 262 G CA 0.118 45.293 45.100 0.125 0.000 0.682 262 G HN 0.289 nan 8.290 nan 0.000 0.522 263 L N -0.049 121.272 121.223 0.164 0.000 2.741 263 L HA 0.454 4.795 4.340 0.002 0.000 0.237 263 L C 2.572 179.523 176.870 0.135 0.000 1.178 263 L CA 0.510 55.439 54.840 0.150 0.000 0.973 263 L CB 0.070 42.245 42.059 0.192 0.000 1.255 263 L HN 0.298 nan 8.230 nan 0.000 0.498 264 A N 0.543 123.431 122.820 0.113 0.000 1.978 264 A HA -0.094 4.227 4.320 0.002 0.000 0.220 264 A C 2.090 179.724 177.584 0.084 0.000 1.170 264 A CA 1.825 53.923 52.037 0.101 0.000 0.636 264 A CB -0.522 18.523 19.000 0.075 0.000 0.810 264 A HN 0.439 nan 8.150 nan 0.000 0.448 265 G N -1.030 107.812 108.800 0.069 0.000 3.233 265 G HA2 0.296 4.257 3.960 0.002 0.000 0.234 265 G HA3 0.296 4.257 3.960 0.002 0.000 0.234 265 G C 0.230 175.161 174.900 0.052 0.000 1.137 265 G CA 0.237 45.368 45.100 0.052 0.000 0.763 265 G HN 0.423 nan 8.290 nan 0.000 0.549 266 E N 1.629 121.871 120.200 0.069 0.000 2.493 266 E HA 0.129 4.480 4.350 0.002 0.000 0.255 266 E C -1.102 175.535 176.600 0.062 0.000 0.999 266 E CA -1.615 54.824 56.400 0.066 0.000 0.934 266 E CB 1.150 30.901 29.700 0.085 0.000 0.940 266 E HN 0.038 nan 8.360 nan 0.000 0.473 267 P HA -0.217 nan 4.420 nan 0.000 0.215 267 P C 0.877 178.198 177.300 0.035 0.000 1.157 267 P CA 1.888 65.006 63.100 0.029 0.000 0.874 267 P CB -0.002 31.709 31.700 0.019 0.000 0.790 268 S N -1.989 113.744 115.700 0.055 0.000 2.607 268 S HA 0.044 4.515 4.470 0.002 0.000 0.224 268 S C 1.332 176.028 174.600 0.159 0.000 0.969 268 S CA 0.514 58.761 58.200 0.078 0.000 0.927 268 S CB -1.100 62.150 63.200 0.083 0.000 0.772 268 S HN 0.091 nan 8.310 nan 0.000 0.533 269 L N -1.233 120.093 121.223 0.171 0.000 3.039 269 L HA 0.371 4.712 4.340 0.002 0.000 0.269 269 L C 2.596 179.591 176.870 0.207 0.000 1.169 269 L CA 0.440 55.480 54.840 0.334 0.000 0.986 269 L CB -0.207 42.041 42.059 0.315 0.000 1.377 269 L HN 0.314 nan 8.230 nan 0.000 0.575 270 K N 1.153 121.594 120.400 0.067 0.000 2.280 270 K HA -0.178 4.143 4.320 0.002 0.000 0.202 270 K C 1.836 178.405 176.600 -0.052 0.000 1.047 270 K CA 1.716 58.020 56.287 0.028 0.000 0.942 270 K CB -0.812 31.695 32.500 0.012 0.000 0.739 270 K HN 0.701 nan 8.250 nan 0.000 0.457 271 Q N -1.567 118.110 119.800 -0.205 0.000 2.369 271 Q HA 0.008 4.349 4.340 0.002 0.000 0.206 271 Q C 0.979 176.701 176.000 -0.465 0.000 0.963 271 Q CA 1.182 56.758 55.803 -0.378 0.000 0.894 271 Q CB -0.267 28.132 28.738 -0.565 0.000 0.965 271 Q HN 0.577 nan 8.270 nan 0.000 0.475 272 F N 0.494 120.467 119.950 0.040 0.000 2.695 272 F HA 0.292 4.819 4.527 -0.000 0.000 0.303 272 F C 0.160 175.992 175.800 0.054 0.000 1.091 272 F CA -0.544 57.483 58.000 0.045 0.000 1.300 272 F CB 0.786 39.822 39.000 0.060 0.000 1.071 272 F HN -0.175 nan 8.300 nan 0.000 0.578 273 V N 0.931 120.944 119.914 0.165 0.000 2.427 273 V HA 0.330 4.451 4.120 0.002 0.000 0.286 273 V C 0.606 176.742 176.094 0.070 0.000 1.034 273 V CA -0.897 61.477 62.300 0.124 0.000 0.893 273 V CB 1.409 33.297 31.823 0.107 0.000 0.982 273 V HN 0.308 nan 8.190 nan 0.000 0.452 274 T N 0.000 114.591 114.554 0.062 0.000 3.816 274 T HA 0.000 4.351 4.350 0.002 0.000 0.228 274 T CA 0.000 62.122 62.100 0.037 0.000 1.349 274 T CB 0.000 68.887 68.868 0.032 0.000 0.612 274 T HN 0.000 nan 8.240 nan 0.000 0.658