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 2p9v_1_B DATA FIRST_RESID 4 DATA SEQUENCE APQQINDIVH RTITPLIEQQ KIPGMAVAVI YQGKPYYFTW GYADIAKKQP DATA SEQUENCE VTQQTLFELG SVSKTFTGVL GGDAIARGEI KLSDPTTKYW PELTAKQWNG DATA SEQUENCE ITLLHLATYT AGGLPLQVPD EVKSSSDLLR FYQNWQPAWA PGTQRLYANS DATA SEQUENCE SIGLFGALAV KPSGLSFEQA MQTRVFQPLK LNHTWINVPP AEEKNYAWGY DATA SEQUENCE REGKAVHVSP GALDAEAYGV KSTIEDMARW VQSNLKPLDI NEKTLQQGIQ DATA SEQUENCE LAQSRYWQTG DMYQGLGWEM LDWPVNPDSI INGSDNKIAL AARPVKAITP DATA SEQUENCE PTPAVRASWV HKTGATGGFG SYVAFIPEKE LGIVMLANKN YPNPARVDAA DATA SEQUENCE WQILNALQ 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 4 A HA 0.000 nan 4.320 nan 0.000 0.244 4 A C 0.000 177.432 177.584 -0.254 0.000 1.274 4 A CA 0.000 51.882 52.037 -0.258 0.000 0.836 4 A CB 0.000 18.822 19.000 -0.297 0.000 0.831 5 P HA 0.057 nan 4.420 nan 0.000 0.265 5 P C 0.807 177.990 177.300 -0.194 0.000 1.187 5 P CA -0.055 62.890 63.100 -0.258 0.000 0.766 5 P CB 0.616 32.108 31.700 -0.347 0.000 0.820 6 Q N 2.815 122.545 119.800 -0.118 0.000 2.152 6 Q HA -0.272 4.068 4.340 -0.000 0.000 0.206 6 Q C 1.737 177.685 176.000 -0.087 0.000 0.985 6 Q CA 2.204 57.963 55.803 -0.074 0.000 0.863 6 Q CB -0.021 28.689 28.738 -0.046 0.000 0.904 6 Q HN 0.693 nan 8.270 nan 0.000 0.422 7 Q N -0.713 119.007 119.800 -0.133 0.000 2.124 7 Q HA -0.138 4.202 4.340 -0.000 0.000 0.202 7 Q C 2.112 178.014 176.000 -0.163 0.000 0.977 7 Q CA 1.563 57.282 55.803 -0.139 0.000 0.850 7 Q CB -0.405 28.233 28.738 -0.166 0.000 0.901 7 Q HN 0.425 nan 8.270 nan 0.000 0.429 8 I N 1.447 121.877 120.570 -0.233 0.000 2.193 8 I HA -0.225 3.945 4.170 -0.000 0.000 0.240 8 I C 1.937 178.012 176.117 -0.070 0.000 1.084 8 I CA 0.940 62.123 61.300 -0.195 0.000 1.365 8 I CB -0.528 37.307 38.000 -0.274 0.000 1.064 8 I HN 0.254 nan 8.210 nan 0.000 0.410 9 N N 0.950 119.666 118.700 0.027 0.000 2.094 9 N HA -0.256 4.484 4.740 -0.000 0.000 0.191 9 N C 1.508 177.060 175.510 0.069 0.000 1.023 9 N CA 1.876 55.007 53.050 0.136 0.000 0.857 9 N CB -0.597 37.959 38.487 0.117 0.000 1.013 9 N HN 0.391 nan 8.380 nan 0.000 0.426 10 D N 0.271 120.687 120.400 0.027 0.000 2.084 10 D HA -0.097 4.543 4.640 -0.000 0.000 0.194 10 D C 1.857 178.171 176.300 0.025 0.000 0.990 10 D CA 0.573 54.599 54.000 0.042 0.000 0.826 10 D CB -0.189 40.616 40.800 0.008 0.000 0.971 10 D HN 0.102 nan 8.370 nan 0.000 0.453 11 I N -0.210 120.344 120.570 -0.028 0.000 2.353 11 I HA -0.131 4.039 4.170 -0.000 0.000 0.248 11 I C 2.104 178.194 176.117 -0.045 0.000 1.119 11 I CA 0.747 62.024 61.300 -0.039 0.000 1.417 11 I CB -0.274 37.691 38.000 -0.059 0.000 1.078 11 I HN -0.029 nan 8.210 nan 0.000 0.421 12 V N 0.239 120.089 119.914 -0.106 0.000 2.295 12 V HA -0.328 3.792 4.120 -0.000 0.000 0.246 12 V C 2.564 178.694 176.094 0.061 0.000 1.049 12 V CA 2.327 64.531 62.300 -0.159 0.000 1.024 12 V CB -1.108 30.312 31.823 -0.671 0.000 0.648 12 V HN 0.532 nan 8.190 nan 0.000 0.447 13 H N 0.606 119.684 119.070 0.014 0.000 2.387 13 H HA -0.075 4.481 4.556 -0.000 0.000 0.299 13 H C 2.430 177.806 175.328 0.080 0.000 1.090 13 H CA 1.843 57.968 56.048 0.128 0.000 1.332 13 H CB -0.117 29.712 29.762 0.112 0.000 1.386 13 H HN 0.271 nan 8.280 nan 0.000 0.516 14 R N -1.097 119.385 120.500 -0.031 0.000 2.120 14 R HA -0.065 4.275 4.340 -0.000 0.000 0.234 14 R C 1.806 178.062 176.300 -0.072 0.000 1.123 14 R CA 1.818 57.862 56.100 -0.092 0.000 0.975 14 R CB 0.066 30.341 30.300 -0.042 0.000 0.866 14 R HN 0.357 nan 8.270 nan 0.000 0.446 15 T N 0.277 114.807 114.554 -0.039 0.000 2.988 15 T HA 0.123 4.473 4.350 -0.000 0.000 0.240 15 T C 1.751 176.407 174.700 -0.073 0.000 1.014 15 T CA 0.313 62.392 62.100 -0.035 0.000 1.155 15 T CB 0.204 69.069 68.868 -0.006 0.000 0.872 15 T HN -0.025 nan 8.240 nan 0.000 0.440 16 I N 1.998 122.512 120.570 -0.092 0.000 2.480 16 I HA -0.028 4.142 4.170 -0.000 0.000 0.251 16 I C 2.545 178.429 176.117 -0.387 0.000 1.124 16 I CA 1.238 62.378 61.300 -0.267 0.000 1.444 16 I CB -1.706 36.056 38.000 -0.398 0.000 1.098 16 I HN 0.243 nan 8.210 nan 0.000 0.428 17 T N 2.282 116.739 114.554 -0.161 0.000 2.708 17 T HA -0.074 4.276 4.350 -0.000 0.000 0.266 17 T C -0.327 174.285 174.700 -0.147 0.000 1.037 17 T CA 1.583 63.629 62.100 -0.089 0.000 1.146 17 T CB -1.314 67.729 68.868 0.292 0.000 0.865 17 T HN 0.229 nan 8.240 nan 0.000 0.435 18 P HA 0.039 nan 4.420 nan 0.000 0.219 18 P C 1.634 178.853 177.300 -0.135 0.000 1.150 18 P CA 0.355 63.387 63.100 -0.113 0.000 0.814 18 P CB -0.171 31.475 31.700 -0.090 0.000 0.787 19 L N -0.205 120.918 121.223 -0.165 0.000 2.013 19 L HA -0.195 4.145 4.340 -0.000 0.000 0.212 19 L C 2.128 178.839 176.870 -0.266 0.000 1.073 19 L CA 1.922 56.649 54.840 -0.190 0.000 0.753 19 L CB -1.273 40.668 42.059 -0.197 0.000 0.890 19 L HN -0.129 nan 8.230 nan 0.000 0.432 20 I N -0.485 119.884 120.570 -0.336 0.000 2.208 20 I HA -0.269 3.901 4.170 -0.000 0.000 0.245 20 I C 2.445 178.441 176.117 -0.201 0.000 1.097 20 I CA 1.253 62.355 61.300 -0.329 0.000 1.363 20 I CB -0.504 37.245 38.000 -0.419 0.000 1.051 20 I HN 0.355 nan 8.210 nan 0.000 0.413 21 E N 0.591 120.701 120.200 -0.150 0.000 2.072 21 E HA -0.220 4.130 4.350 -0.000 0.000 0.191 21 E C 2.186 178.736 176.600 -0.083 0.000 0.985 21 E CA 1.186 57.532 56.400 -0.090 0.000 0.801 21 E CB -0.317 29.347 29.700 -0.060 0.000 0.750 21 E HN 0.600 nan 8.360 nan 0.000 0.452 22 Q N 0.181 119.926 119.800 -0.092 0.000 2.124 22 Q HA -0.107 4.233 4.340 -0.000 0.000 0.202 22 Q C 1.824 177.784 176.000 -0.067 0.000 0.977 22 Q CA 1.029 56.792 55.803 -0.067 0.000 0.850 22 Q CB 0.116 28.818 28.738 -0.059 0.000 0.901 22 Q HN 0.151 nan 8.270 nan 0.000 0.429 23 Q N -0.030 119.701 119.800 -0.115 0.000 2.282 23 Q HA 0.099 4.439 4.340 -0.000 0.000 0.206 23 Q C -0.357 175.587 176.000 -0.094 0.000 0.878 23 Q CA 0.126 55.864 55.803 -0.108 0.000 0.944 23 Q CB 0.772 29.367 28.738 -0.238 0.000 1.100 23 Q HN 0.271 nan 8.270 nan 0.000 0.509 24 K N 0.838 121.181 120.400 -0.095 0.000 3.077 24 K HA -0.177 4.143 4.320 -0.000 0.000 0.264 24 K C -0.519 176.034 176.600 -0.078 0.000 1.008 24 K CA 0.236 56.480 56.287 -0.072 0.000 0.740 24 K CB -1.893 30.584 32.500 -0.039 0.000 1.273 24 K HN 0.260 nan 8.250 nan 0.000 0.477 25 I N 1.185 121.679 120.570 -0.127 0.000 2.452 25 I HA 0.003 4.173 4.170 -0.000 0.000 0.287 25 I C -0.867 175.222 176.117 -0.046 0.000 1.079 25 I CA -1.929 59.310 61.300 -0.102 0.000 1.387 25 I CB 0.705 38.576 38.000 -0.216 0.000 1.404 25 I HN 0.020 nan 8.210 nan 0.000 0.522 26 P HA -0.010 nan 4.420 nan 0.000 0.217 26 P C 0.407 177.762 177.300 0.092 0.000 1.150 26 P CA 0.602 63.695 63.100 -0.012 0.000 0.832 26 P CB 0.289 31.889 31.700 -0.166 0.000 0.787 27 G N -1.304 107.604 108.800 0.181 0.000 2.746 27 G HA2 0.662 4.622 3.960 -0.000 0.000 0.297 27 G HA3 0.662 4.622 3.960 -0.000 0.000 0.297 27 G C -1.944 173.194 174.900 0.398 0.000 1.426 27 G CA -0.372 44.909 45.100 0.301 0.000 0.989 27 G HN 0.054 nan 8.290 nan 0.000 0.520 28 M N 1.226 121.095 119.600 0.449 0.000 2.465 28 M HA 0.735 5.215 4.480 -0.000 0.000 0.284 28 M C -1.394 175.231 176.300 0.542 0.000 1.212 28 M CA -0.524 55.007 55.300 0.384 0.000 0.910 28 M CB 2.330 34.989 32.600 0.098 0.000 1.725 28 M HN 1.069 nan 8.290 nan 0.000 0.477 29 A N 3.144 126.151 122.820 0.311 0.000 2.414 29 A HA 0.883 5.203 4.320 -0.000 0.000 0.306 29 A C -1.792 176.003 177.584 0.350 0.000 1.054 29 A CA -0.626 51.642 52.037 0.383 0.000 0.724 29 A CB 1.837 21.007 19.000 0.284 0.000 1.267 29 A HN 0.620 nan 8.150 nan 0.000 0.418 30 V N 0.868 121.105 119.914 0.539 0.000 2.709 30 V HA 0.794 4.914 4.120 -0.000 0.000 0.308 30 V C 0.112 176.520 176.094 0.523 0.000 1.062 30 V CA -0.219 62.369 62.300 0.480 0.000 0.901 30 V CB 1.880 34.022 31.823 0.532 0.000 1.003 30 V HN 1.434 nan 8.190 nan 0.000 0.425 31 A N 3.886 126.935 122.820 0.382 0.000 2.342 31 A HA 0.893 5.213 4.320 -0.000 0.000 0.323 31 A C -1.083 176.638 177.584 0.228 0.000 1.125 31 A CA -0.567 51.635 52.037 0.275 0.000 0.785 31 A CB 1.762 20.876 19.000 0.189 0.000 1.221 31 A HN 0.660 nan 8.150 nan 0.000 0.463 32 V N 3.208 123.270 119.914 0.248 0.000 2.448 32 V HA 0.382 4.502 4.120 -0.000 0.000 0.295 32 V C -0.858 175.351 176.094 0.191 0.000 1.025 32 V CA -0.263 62.172 62.300 0.225 0.000 0.859 32 V CB 1.377 33.362 31.823 0.270 0.000 0.988 32 V HN 0.717 nan 8.190 nan 0.000 0.431 33 I N 5.912 126.556 120.570 0.124 0.000 2.312 33 I HA 0.408 4.578 4.170 -0.000 0.000 0.290 33 I C -0.766 175.455 176.117 0.173 0.000 1.008 33 I CA -0.254 61.092 61.300 0.077 0.000 1.226 33 I CB 0.944 38.926 38.000 -0.030 0.000 1.371 33 I HN 0.596 nan 8.210 nan 0.000 0.468 34 Y N 5.184 125.549 120.300 0.108 0.000 2.373 34 Y HA 0.340 4.890 4.550 0.000 0.000 0.336 34 Y C 0.186 176.138 175.900 0.086 0.000 0.979 34 Y CA -0.909 57.251 58.100 0.101 0.000 1.080 34 Y CB 1.299 39.847 38.460 0.146 0.000 1.190 34 Y HN 0.676 nan 8.280 nan 0.000 0.446 35 Q N 4.620 124.131 119.800 -0.481 0.000 2.434 35 Q HA -0.273 4.067 4.340 -0.000 0.000 0.299 35 Q C 1.104 177.013 176.000 -0.152 0.000 1.286 35 Q CA 1.322 56.912 55.803 -0.354 0.000 0.872 35 Q CB -1.525 26.966 28.738 -0.413 0.000 1.193 35 Q HN 1.395 nan 8.270 nan 0.000 0.466 36 G N -0.832 107.894 108.800 -0.122 0.000 2.179 36 G HA2 -0.340 3.619 3.960 -0.000 0.000 0.260 36 G HA3 -0.340 3.619 3.960 -0.000 0.000 0.260 36 G C -0.011 174.834 174.900 -0.091 0.000 0.977 36 G CA 0.630 45.666 45.100 -0.106 0.000 0.641 36 G HN 0.324 nan 8.290 nan 0.000 0.533 37 K N 1.519 121.879 120.400 -0.067 0.000 2.207 37 K HA 0.574 4.894 4.320 -0.000 0.000 0.255 37 K C -2.615 173.786 176.600 -0.332 0.000 0.941 37 K CA -2.057 54.127 56.287 -0.172 0.000 0.825 37 K CB 2.769 35.176 32.500 -0.155 0.000 1.119 37 K HN 0.066 nan 8.250 nan 0.000 0.430 38 P HA 0.177 nan 4.420 nan 0.000 0.288 38 P C -1.455 175.188 177.300 -1.096 0.000 1.267 38 P CA -0.344 62.380 63.100 -0.627 0.000 0.815 38 P CB 0.562 31.944 31.700 -0.531 0.000 0.989 39 Y N 1.240 121.249 120.300 -0.486 0.000 2.442 39 Y HA 0.485 5.035 4.550 -0.000 0.000 0.344 39 Y C -0.149 175.407 175.900 -0.573 0.000 0.976 39 Y CA -0.566 57.265 58.100 -0.448 0.000 1.040 39 Y CB 1.915 40.296 38.460 -0.131 0.000 1.228 39 Y HN 0.284 nan 8.280 nan 0.000 0.451 40 Y N 2.109 122.248 120.300 -0.269 0.000 2.485 40 Y HA 0.717 5.267 4.550 -0.000 0.000 0.345 40 Y C -1.135 174.365 175.900 -0.667 0.000 0.998 40 Y CA -1.650 56.317 58.100 -0.222 0.000 1.059 40 Y CB 1.592 39.987 38.460 -0.109 0.000 1.234 40 Y HN 0.389 nan 8.280 nan 0.000 0.461 41 F N 0.193 120.243 119.950 0.167 0.000 2.581 41 F HA 0.645 5.172 4.527 -0.000 0.000 0.311 41 F C -0.303 175.401 175.800 -0.160 0.000 1.113 41 F CA -0.934 56.978 58.000 -0.146 0.000 0.935 41 F CB 2.435 41.339 39.000 -0.160 0.000 1.232 41 F HN 0.410 nan 8.300 nan 0.000 0.445 42 T N -1.487 112.899 114.554 -0.280 0.000 2.903 42 T HA 0.701 5.051 4.350 -0.000 0.000 0.299 42 T C -1.613 172.974 174.700 -0.189 0.000 1.093 42 T CA -0.755 61.343 62.100 -0.004 0.000 1.002 42 T CB 2.036 70.965 68.868 0.102 0.000 1.127 42 T HN 0.609 nan 8.240 nan 0.000 0.488 43 W N 0.231 121.611 121.300 0.133 0.000 3.217 43 W HA 0.492 5.152 4.660 -0.000 0.000 0.323 43 W C 0.722 177.258 176.519 0.028 0.000 1.216 43 W CA -0.174 57.210 57.345 0.065 0.000 1.194 43 W CB 1.771 31.272 29.460 0.068 0.000 1.397 43 W HN 1.414 nan 8.180 nan 0.000 0.537 44 G N 1.451 110.323 108.800 0.120 0.000 2.562 44 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.250 44 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.250 44 G C -1.626 173.197 174.900 -0.128 0.000 1.269 44 G CA -0.382 44.652 45.100 -0.109 0.000 0.919 44 G HN 0.556 nan 8.290 nan 0.000 0.574 45 Y N 0.058 120.447 120.300 0.148 0.000 2.409 45 Y HA 0.564 5.114 4.550 -0.000 0.000 0.343 45 Y C 1.334 177.337 175.900 0.171 0.000 0.973 45 Y CA -0.373 57.805 58.100 0.131 0.000 1.064 45 Y CB 2.040 40.544 38.460 0.073 0.000 1.207 45 Y HN 0.832 nan 8.280 nan 0.000 0.452 46 A N 1.037 124.063 122.820 0.343 0.000 1.970 46 A HA -0.069 4.251 4.320 -0.000 0.000 0.216 46 A C 0.283 178.073 177.584 0.344 0.000 1.170 46 A CA 1.453 53.637 52.037 0.244 0.000 0.645 46 A CB 0.018 19.096 19.000 0.129 0.000 0.816 46 A HN 0.673 nan 8.150 nan 0.000 0.447 47 D N -1.203 119.392 120.400 0.325 0.000 2.575 47 D HA 0.400 5.040 4.640 -0.000 0.000 0.250 47 D C 0.570 176.925 176.300 0.091 0.000 1.279 47 D CA -0.462 53.741 54.000 0.338 0.000 0.925 47 D CB 0.864 41.852 40.800 0.314 0.000 1.261 47 D HN 0.128 nan 8.370 nan 0.000 0.567 48 I N 2.218 122.833 120.570 0.074 0.000 2.202 48 I HA -0.173 3.997 4.170 -0.000 0.000 0.242 48 I C 2.395 178.363 176.117 -0.248 0.000 1.091 48 I CA 1.020 62.209 61.300 -0.184 0.000 1.368 48 I CB -0.033 37.812 38.000 -0.258 0.000 1.058 48 I HN 0.444 nan 8.210 nan 0.000 0.410 49 A N 0.834 123.583 122.820 -0.120 0.000 1.902 49 A HA -0.185 4.135 4.320 -0.000 0.000 0.217 49 A C 2.169 179.672 177.584 -0.135 0.000 1.181 49 A CA 1.494 53.457 52.037 -0.124 0.000 0.623 49 A CB -0.364 18.572 19.000 -0.107 0.000 0.818 49 A HN 0.339 nan 8.150 nan 0.000 0.443 50 K N -0.574 119.759 120.400 -0.113 0.000 2.444 50 K HA 0.090 4.410 4.320 -0.000 0.000 0.193 50 K C -0.360 176.140 176.600 -0.167 0.000 1.024 50 K CA 0.109 56.341 56.287 -0.091 0.000 1.077 50 K CB 0.085 32.580 32.500 -0.009 0.000 0.833 50 K HN 0.397 nan 8.250 nan 0.000 0.517 51 K N 1.772 121.937 120.400 -0.392 0.000 3.177 51 K HA -0.244 4.076 4.320 -0.000 0.000 0.266 51 K C -0.338 176.127 176.600 -0.225 0.000 0.937 51 K CA 0.439 56.285 56.287 -0.734 0.000 0.702 51 K CB -1.293 30.940 32.500 -0.445 0.000 1.365 51 K HN 0.357 nan 8.250 nan 0.000 0.466 52 Q N 1.199 120.963 119.800 -0.060 0.000 2.294 52 Q HA 0.190 4.530 4.340 -0.000 0.000 0.257 52 Q C -2.202 173.992 176.000 0.323 0.000 0.955 52 Q CA -2.168 53.715 55.803 0.133 0.000 0.936 52 Q CB 1.027 29.834 28.738 0.114 0.000 1.188 52 Q HN 0.010 nan 8.270 nan 0.000 0.420 53 P HA -0.007 nan 4.420 nan 0.000 0.274 53 P C -0.614 176.817 177.300 0.218 0.000 1.231 53 P CA -0.259 63.016 63.100 0.290 0.000 0.790 53 P CB 0.849 32.654 31.700 0.175 0.000 0.951 54 V N 2.448 122.497 119.914 0.226 0.000 2.585 54 V HA 0.179 4.299 4.120 -0.000 0.000 0.296 54 V C 1.286 177.489 176.094 0.182 0.000 1.035 54 V CA 0.842 63.289 62.300 0.245 0.000 1.084 54 V CB -0.000 32.048 31.823 0.375 0.000 0.953 54 V HN 0.877 nan 8.190 nan 0.000 0.483 55 T N 1.433 116.080 114.554 0.155 0.000 2.831 55 T HA 0.342 4.692 4.350 -0.000 0.000 0.287 55 T C 0.537 175.283 174.700 0.076 0.000 1.070 55 T CA -0.720 61.431 62.100 0.084 0.000 1.010 55 T CB 1.692 70.582 68.868 0.035 0.000 1.264 55 T HN 0.447 nan 8.240 nan 0.000 0.532 56 Q N -0.378 119.407 119.800 -0.025 0.000 2.364 56 Q HA -0.047 4.293 4.340 -0.000 0.000 0.207 56 Q C 1.587 177.533 176.000 -0.090 0.000 0.970 56 Q CA 0.983 56.721 55.803 -0.108 0.000 0.888 56 Q CB 0.029 28.606 28.738 -0.267 0.000 0.951 56 Q HN 0.528 nan 8.270 nan 0.000 0.469 57 Q N -0.250 119.504 119.800 -0.077 0.000 2.319 57 Q HA 0.082 4.422 4.340 -0.000 0.000 0.202 57 Q C 0.029 176.015 176.000 -0.024 0.000 0.896 57 Q CA 0.283 56.013 55.803 -0.122 0.000 0.942 57 Q CB 0.782 29.418 28.738 -0.170 0.000 1.083 57 Q HN 0.163 nan 8.270 nan 0.000 0.510 58 T N 2.090 116.680 114.554 0.061 0.000 2.834 58 T HA 0.230 4.580 4.350 -0.000 0.000 0.298 58 T C 0.099 174.842 174.700 0.072 0.000 0.966 58 T CA -0.166 61.960 62.100 0.043 0.000 1.141 58 T CB 0.386 69.274 68.868 0.034 0.000 0.905 58 T HN -0.016 nan 8.240 nan 0.000 0.535 59 L N 4.463 125.684 121.223 -0.003 0.000 2.305 59 L HA 0.477 4.817 4.340 -0.000 0.000 0.281 59 L C -0.316 176.527 176.870 -0.046 0.000 1.085 59 L CA 0.071 54.922 54.840 0.018 0.000 0.813 59 L CB 0.157 42.149 42.059 -0.112 0.000 1.157 59 L HN 0.526 nan 8.230 nan 0.000 0.436 60 F N 0.590 120.579 119.950 0.065 0.000 2.522 60 F HA 0.410 4.937 4.527 -0.000 0.000 0.324 60 F C 0.532 176.114 175.800 -0.362 0.000 1.077 60 F CA -0.919 57.080 58.000 -0.003 0.000 0.944 60 F CB 1.284 40.417 39.000 0.221 0.000 1.175 60 F HN 0.418 nan 8.300 nan 0.000 0.468 61 E N 2.964 122.654 120.200 -0.850 0.000 2.324 61 E HA 0.124 4.474 4.350 -0.000 0.000 0.271 61 E C 0.437 176.957 176.600 -0.134 0.000 1.028 61 E CA 0.005 56.079 56.400 -0.544 0.000 0.890 61 E CB 0.823 30.090 29.700 -0.720 0.000 1.004 61 E HN 0.626 nan 8.360 nan 0.000 0.431 62 L N 2.768 123.990 121.223 -0.002 0.000 2.446 62 L HA 0.094 4.434 4.340 -0.000 0.000 0.219 62 L C 1.469 178.437 176.870 0.162 0.000 1.116 62 L CA 0.438 55.349 54.840 0.117 0.000 0.844 62 L CB -0.728 41.405 42.059 0.124 0.000 0.970 62 L HN 0.915 nan 8.230 nan 0.000 0.457 63 G N 0.588 109.486 108.800 0.163 0.000 2.611 63 G HA2 -0.395 3.565 3.960 -0.000 0.000 0.301 63 G HA3 -0.395 3.565 3.960 -0.000 0.000 0.301 63 G C 0.876 175.923 174.900 0.244 0.000 1.233 63 G CA 0.446 45.674 45.100 0.213 0.000 0.993 63 G HN 0.208 nan 8.290 nan 0.000 0.553 64 S N -0.008 115.832 115.700 0.233 0.000 2.507 64 S HA 0.052 4.522 4.470 -0.000 0.000 0.235 64 S C 2.391 177.122 174.600 0.219 0.000 0.988 64 S CA 1.291 59.650 58.200 0.265 0.000 0.944 64 S CB -0.069 63.320 63.200 0.314 0.000 0.762 64 S HN 0.724 nan 8.310 nan 0.000 0.526 65 V N 1.847 121.876 119.914 0.192 0.000 2.720 65 V HA -0.164 3.956 4.120 -0.000 0.000 0.256 65 V C 2.185 178.396 176.094 0.195 0.000 1.082 65 V CA 1.578 63.973 62.300 0.159 0.000 1.101 65 V CB -0.924 31.017 31.823 0.197 0.000 0.693 65 V HN 0.463 nan 8.190 nan 0.000 0.479 66 S N -0.102 115.741 115.700 0.238 0.000 2.402 66 S HA -0.273 4.197 4.470 -0.000 0.000 0.233 66 S C 1.905 176.668 174.600 0.272 0.000 1.030 66 S CA 1.511 59.883 58.200 0.288 0.000 1.003 66 S CB -0.323 62.985 63.200 0.180 0.000 0.813 66 S HN 0.651 nan 8.310 nan 0.000 0.477 67 K N 0.892 121.407 120.400 0.192 0.000 2.211 67 K HA -0.108 4.212 4.320 -0.000 0.000 0.204 67 K C 2.502 179.136 176.600 0.057 0.000 1.047 67 K CA 1.584 57.966 56.287 0.158 0.000 0.935 67 K CB -0.533 32.084 32.500 0.196 0.000 0.728 67 K HN 0.654 nan 8.250 nan 0.000 0.452 68 T N -1.036 113.449 114.554 -0.114 0.000 2.821 68 T HA -0.122 4.228 4.350 -0.000 0.000 0.267 68 T C 1.760 176.454 174.700 -0.011 0.000 1.046 68 T CA 0.899 62.749 62.100 -0.418 0.000 1.139 68 T CB -0.408 67.800 68.868 -1.100 0.000 0.871 68 T HN 0.042 nan 8.240 nan 0.000 0.454 69 F N 2.088 122.075 119.950 0.062 0.000 2.146 69 F HA 0.041 4.568 4.527 0.000 0.000 0.298 69 F C 3.033 178.886 175.800 0.088 0.000 1.096 69 F CA 1.336 59.335 58.000 -0.002 0.000 1.275 69 F CB -1.137 37.739 39.000 -0.208 0.000 1.008 69 F HN 0.136 nan 8.300 nan 0.000 0.480 70 T N -0.508 114.241 114.554 0.324 0.000 2.746 70 T HA -0.131 4.219 4.350 -0.000 0.000 0.267 70 T C 2.377 177.265 174.700 0.313 0.000 1.039 70 T CA 1.422 63.727 62.100 0.342 0.000 1.142 70 T CB -1.022 68.045 68.868 0.332 0.000 0.866 70 T HN 0.443 nan 8.240 nan 0.000 0.444 71 G N 0.955 109.908 108.800 0.256 0.000 2.418 71 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.217 71 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.217 71 G C 1.696 176.755 174.900 0.265 0.000 1.158 71 G CA 0.841 46.089 45.100 0.247 0.000 0.771 71 G HN 0.436 nan 8.290 nan 0.000 0.545 72 V N 0.559 120.637 119.914 0.273 0.000 2.427 72 V HA -0.095 4.025 4.120 -0.000 0.000 0.248 72 V C 2.665 178.877 176.094 0.196 0.000 1.051 72 V CA 1.506 63.974 62.300 0.281 0.000 1.048 72 V CB -0.325 31.761 31.823 0.439 0.000 0.666 72 V HN 0.343 nan 8.190 nan 0.000 0.456 73 L N 1.287 122.600 121.223 0.150 0.000 2.083 73 L HA -0.018 4.322 4.340 -0.000 0.000 0.209 73 L C 2.325 179.201 176.870 0.011 0.000 1.083 73 L CA 2.370 57.218 54.840 0.014 0.000 0.752 73 L CB -1.210 40.772 42.059 -0.128 0.000 0.899 73 L HN 0.269 nan 8.230 nan 0.000 0.433 74 G N -1.105 107.757 108.800 0.102 0.000 2.418 74 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.217 74 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.217 74 G C 1.536 176.536 174.900 0.167 0.000 1.158 74 G CA 0.575 45.754 45.100 0.131 0.000 0.771 74 G HN 0.583 nan 8.290 nan 0.000 0.545 75 G N 0.696 109.608 108.800 0.187 0.000 2.446 75 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.217 75 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.217 75 G C 1.467 176.421 174.900 0.089 0.000 1.168 75 G CA 1.451 46.639 45.100 0.146 0.000 0.771 75 G HN 0.511 nan 8.290 nan 0.000 0.551 76 D N 0.442 120.883 120.400 0.067 0.000 2.117 76 D HA 0.046 4.686 4.640 -0.000 0.000 0.197 76 D C 2.664 178.965 176.300 0.001 0.000 0.987 76 D CA 1.459 55.476 54.000 0.028 0.000 0.829 76 D CB -0.276 40.531 40.800 0.012 0.000 0.961 76 D HN 0.254 nan 8.370 nan 0.000 0.460 77 A N 0.028 122.837 122.820 -0.019 0.000 1.933 77 A HA -0.093 4.227 4.320 -0.000 0.000 0.218 77 A C 2.313 179.889 177.584 -0.013 0.000 1.175 77 A CA 1.134 53.144 52.037 -0.045 0.000 0.628 77 A CB -0.765 18.170 19.000 -0.108 0.000 0.814 77 A HN 0.382 nan 8.150 nan 0.000 0.444 78 I N -0.107 120.475 120.570 0.019 0.000 2.179 78 I HA -0.284 3.886 4.170 -0.000 0.000 0.242 78 I C 2.959 179.098 176.117 0.037 0.000 1.088 78 I CA 1.144 62.469 61.300 0.042 0.000 1.357 78 I CB -0.381 37.664 38.000 0.076 0.000 1.051 78 I HN 0.334 nan 8.210 nan 0.000 0.409 79 A N 0.811 123.652 122.820 0.035 0.000 1.933 79 A HA -0.198 4.122 4.320 -0.000 0.000 0.218 79 A C 2.337 179.931 177.584 0.016 0.000 1.175 79 A CA 1.482 53.535 52.037 0.027 0.000 0.628 79 A CB -0.614 18.402 19.000 0.027 0.000 0.814 79 A HN 0.337 nan 8.150 nan 0.000 0.444 80 R N -1.317 119.187 120.500 0.007 0.000 2.328 80 R HA 0.072 4.412 4.340 -0.000 0.000 0.207 80 R C 1.387 177.691 176.300 0.007 0.000 1.056 80 R CA 0.557 56.657 56.100 -0.000 0.000 1.016 80 R CB -0.337 29.955 30.300 -0.015 0.000 0.872 80 R HN 0.746 nan 8.270 nan 0.000 0.471 81 G N 0.830 109.640 108.800 0.017 0.000 2.155 81 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.257 81 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.257 81 G C 0.536 175.457 174.900 0.035 0.000 0.983 81 G CA 0.669 45.785 45.100 0.028 0.000 0.676 81 G HN 0.460 nan 8.290 nan 0.000 0.528 82 E N -0.582 119.631 120.200 0.021 0.000 2.158 82 E HA 0.227 4.577 4.350 -0.000 0.000 0.191 82 E C 1.524 178.163 176.600 0.065 0.000 0.982 82 E CA 1.173 57.590 56.400 0.028 0.000 0.823 82 E CB 0.113 29.803 29.700 -0.016 0.000 0.766 82 E HN 0.910 nan 8.360 nan 0.000 0.468 83 I N -2.927 117.659 120.570 0.027 0.000 3.074 83 I HA 0.498 4.668 4.170 -0.000 0.000 0.310 83 I C -1.191 174.974 176.117 0.080 0.000 1.153 83 I CA -1.228 60.087 61.300 0.026 0.000 0.993 83 I CB 2.284 40.128 38.000 -0.261 0.000 1.237 83 I HN -0.369 nan 8.210 nan 0.000 0.443 84 K N 2.513 123.000 120.400 0.144 0.000 2.371 84 K HA 0.514 4.834 4.320 -0.000 0.000 0.251 84 K C 0.091 176.765 176.600 0.123 0.000 0.934 84 K CA -0.771 55.590 56.287 0.123 0.000 0.798 84 K CB 2.845 35.422 32.500 0.130 0.000 1.204 84 K HN 0.630 nan 8.250 nan 0.000 0.427 85 L N 1.079 122.353 121.223 0.086 0.000 2.275 85 L HA -0.147 4.193 4.340 -0.000 0.000 0.215 85 L C 1.969 178.864 176.870 0.042 0.000 1.119 85 L CA 1.182 56.051 54.840 0.049 0.000 0.790 85 L CB -0.222 41.817 42.059 -0.033 0.000 0.919 85 L HN 0.693 nan 8.230 nan 0.000 0.443 86 S N -2.571 113.168 115.700 0.065 0.000 2.522 86 S HA -0.015 4.455 4.470 -0.000 0.000 0.227 86 S C 0.592 175.256 174.600 0.106 0.000 0.986 86 S CA -0.177 58.061 58.200 0.063 0.000 0.929 86 S CB -0.353 62.883 63.200 0.060 0.000 0.769 86 S HN 0.222 nan 8.310 nan 0.000 0.529 87 D N 3.870 124.371 120.400 0.168 0.000 2.382 87 D HA 0.340 4.980 4.640 -0.000 0.000 0.245 87 D C -2.605 173.839 176.300 0.239 0.000 1.120 87 D CA -1.708 52.423 54.000 0.219 0.000 0.890 87 D CB 0.711 41.739 40.800 0.380 0.000 1.201 87 D HN 0.145 nan 8.370 nan 0.000 0.433 88 P HA 0.003 nan 4.420 nan 0.000 0.266 88 P C 0.797 178.252 177.300 0.259 0.000 1.195 88 P CA 0.031 63.252 63.100 0.201 0.000 0.768 88 P CB 0.504 32.283 31.700 0.132 0.000 0.838 89 T N 0.880 115.613 114.554 0.299 0.000 2.737 89 T HA -0.147 4.203 4.350 -0.000 0.000 0.269 89 T C 1.504 176.336 174.700 0.220 0.000 1.040 89 T CA 2.071 64.349 62.100 0.296 0.000 1.142 89 T CB -0.867 68.176 68.868 0.291 0.000 0.861 89 T HN 0.491 nan 8.240 nan 0.000 0.456 90 T N 1.383 116.019 114.554 0.137 0.000 2.962 90 T HA -0.041 4.309 4.350 -0.000 0.000 0.270 90 T C 1.846 176.549 174.700 0.005 0.000 1.088 90 T CA 0.966 63.097 62.100 0.051 0.000 1.127 90 T CB -0.144 68.740 68.868 0.027 0.000 0.883 90 T HN 0.451 nan 8.240 nan 0.000 0.493 91 K N 0.477 120.828 120.400 -0.081 0.000 2.113 91 K HA -0.157 4.163 4.320 -0.000 0.000 0.208 91 K C 1.159 177.478 176.600 -0.468 0.000 1.047 91 K CA 1.570 57.638 56.287 -0.365 0.000 0.928 91 K CB -0.143 31.980 32.500 -0.627 0.000 0.716 91 K HN 0.483 nan 8.250 nan 0.000 0.446 92 Y N -2.874 117.462 120.300 0.060 0.000 2.449 92 Y HA 0.142 4.692 4.550 -0.000 0.000 0.254 92 Y C 0.214 176.165 175.900 0.085 0.000 1.140 92 Y CA -0.687 57.434 58.100 0.034 0.000 1.272 92 Y CB 0.534 38.986 38.460 -0.013 0.000 1.114 92 Y HN 0.110 nan 8.280 nan 0.000 0.525 93 W N 3.420 124.717 121.300 -0.004 0.000 2.237 93 W HA 0.411 5.071 4.660 -0.000 0.000 0.289 93 W C -2.475 173.992 176.519 -0.086 0.000 0.988 93 W CA -3.693 53.611 57.345 -0.069 0.000 1.671 93 W CB 1.036 30.407 29.460 -0.150 0.000 1.746 93 W HN -0.118 nan 8.180 nan 0.000 0.380 94 P HA -0.189 nan 4.420 nan 0.000 0.219 94 P C 1.045 178.312 177.300 -0.055 0.000 1.146 94 P CA 1.791 64.910 63.100 0.032 0.000 0.808 94 P CB 0.338 32.059 31.700 0.035 0.000 0.779 95 E N -0.788 119.365 120.200 -0.079 0.000 2.418 95 E HA -0.073 4.277 4.350 -0.000 0.000 0.197 95 E C 0.577 176.891 176.600 -0.477 0.000 1.026 95 E CA 0.152 56.423 56.400 -0.216 0.000 0.862 95 E CB -0.300 29.333 29.700 -0.112 0.000 0.799 95 E HN 0.194 nan 8.360 nan 0.000 0.518 96 L N 2.348 123.140 121.223 -0.718 0.000 2.399 96 L HA 0.047 4.387 4.340 -0.000 0.000 0.257 96 L C 0.941 177.581 176.870 -0.384 0.000 1.236 96 L CA 0.407 54.760 54.840 -0.812 0.000 1.144 96 L CB 0.029 41.375 42.059 -1.189 0.000 1.379 96 L HN -0.093 nan 8.230 nan 0.000 0.414 97 T N -0.493 113.923 114.554 -0.230 0.000 3.069 97 T HA 0.403 4.753 4.350 -0.000 0.000 0.252 97 T C 0.871 175.579 174.700 0.013 0.000 1.053 97 T CA 0.205 62.257 62.100 -0.080 0.000 0.964 97 T CB 0.062 68.890 68.868 -0.067 0.000 1.005 97 T HN 0.508 nan 8.240 nan 0.000 0.532 98 A N 2.717 125.571 122.820 0.057 0.000 2.498 98 A HA 0.330 4.650 4.320 -0.000 0.000 0.239 98 A C 1.650 179.362 177.584 0.213 0.000 1.068 98 A CA -0.231 51.897 52.037 0.152 0.000 0.766 98 A CB 0.314 19.444 19.000 0.216 0.000 1.003 98 A HN 0.611 nan 8.150 nan 0.000 0.497 99 K N 1.715 122.181 120.400 0.111 0.000 2.209 99 K HA -0.221 4.099 4.320 -0.000 0.000 0.204 99 K C 1.402 178.041 176.600 0.065 0.000 1.048 99 K CA 1.530 57.864 56.287 0.079 0.000 0.940 99 K CB -0.103 32.413 32.500 0.027 0.000 0.729 99 K HN 0.818 nan 8.250 nan 0.000 0.451 100 Q N 0.417 120.225 119.800 0.014 0.000 2.437 100 Q HA -0.156 4.184 4.340 -0.000 0.000 0.210 100 Q C 0.877 176.776 176.000 -0.168 0.000 0.972 100 Q CA 1.141 56.856 55.803 -0.146 0.000 0.903 100 Q CB -0.452 28.085 28.738 -0.334 0.000 0.967 100 Q HN 0.591 nan 8.270 nan 0.000 0.486 101 W N 1.841 123.200 121.300 0.098 0.000 2.905 101 W HA 0.157 4.816 4.660 -0.000 0.000 0.251 101 W C 0.157 176.743 176.519 0.111 0.000 1.305 101 W CA -0.547 56.879 57.345 0.135 0.000 1.465 101 W CB 0.165 29.684 29.460 0.099 0.000 1.122 101 W HN -0.022 nan 8.180 nan 0.000 0.659 102 N N 0.946 119.783 118.700 0.228 0.000 2.438 102 N HA 0.193 4.933 4.740 -0.000 0.000 0.267 102 N C 1.084 176.685 175.510 0.151 0.000 1.222 102 N CA 1.571 54.723 53.050 0.169 0.000 0.930 102 N CB 0.701 39.254 38.487 0.110 0.000 1.083 102 N HN 0.259 nan 8.380 nan 0.000 0.476 103 G N 1.792 110.703 108.800 0.185 0.000 2.176 103 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.232 103 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.232 103 G C 0.073 175.144 174.900 0.285 0.000 0.986 103 G CA -0.452 44.767 45.100 0.198 0.000 0.643 103 G HN 0.547 nan 8.290 nan 0.000 0.522 104 I N 2.893 123.655 120.570 0.319 0.000 2.304 104 I HA 0.425 4.595 4.170 -0.000 0.000 0.291 104 I C 1.106 177.517 176.117 0.489 0.000 1.018 104 I CA 0.083 61.651 61.300 0.446 0.000 1.260 104 I CB 1.253 39.470 38.000 0.361 0.000 1.390 104 I HN 0.295 nan 8.210 nan 0.000 0.475 105 T N 2.922 117.789 114.554 0.520 0.000 2.937 105 T HA 0.468 4.818 4.350 -0.000 0.000 0.283 105 T C 1.206 176.022 174.700 0.193 0.000 1.012 105 T CA -0.877 61.365 62.100 0.237 0.000 0.997 105 T CB 1.448 70.329 68.868 0.022 0.000 1.136 105 T HN 0.412 nan 8.240 nan 0.000 0.551 106 L N 0.308 121.637 121.223 0.177 0.000 2.079 106 L HA -0.034 4.306 4.340 -0.000 0.000 0.210 106 L C 2.561 179.425 176.870 -0.009 0.000 1.081 106 L CA 0.960 55.913 54.840 0.190 0.000 0.752 106 L CB -0.811 41.397 42.059 0.247 0.000 0.896 106 L HN 0.605 nan 8.230 nan 0.000 0.433 107 L N -0.279 120.879 121.223 -0.108 0.000 2.012 107 L HA -0.267 4.073 4.340 -0.000 0.000 0.210 107 L C 2.403 179.203 176.870 -0.116 0.000 1.073 107 L CA 1.993 56.698 54.840 -0.225 0.000 0.748 107 L CB -0.653 41.278 42.059 -0.213 0.000 0.891 107 L HN 0.243 nan 8.230 nan 0.000 0.431 108 H N -1.114 118.010 119.070 0.089 0.000 2.353 108 H HA -0.135 4.421 4.556 -0.000 0.000 0.300 108 H C 2.244 177.564 175.328 -0.012 0.000 1.090 108 H CA 1.635 57.728 56.048 0.075 0.000 1.327 108 H CB -0.164 29.671 29.762 0.121 0.000 1.383 108 H HN 0.324 nan 8.280 nan 0.000 0.508 109 L N 0.184 121.483 121.223 0.126 0.000 2.017 109 L HA -0.181 4.159 4.340 -0.000 0.000 0.208 109 L C 2.859 179.634 176.870 -0.159 0.000 1.073 109 L CA 0.871 55.750 54.840 0.065 0.000 0.745 109 L CB -0.544 41.623 42.059 0.180 0.000 0.894 109 L HN 0.354 nan 8.230 nan 0.000 0.432 110 A N -0.222 122.317 122.820 -0.468 0.000 1.978 110 A HA -0.188 4.132 4.320 -0.000 0.000 0.220 110 A C 2.085 179.242 177.584 -0.711 0.000 1.170 110 A CA 2.232 53.734 52.037 -0.891 0.000 0.636 110 A CB -0.713 17.422 19.000 -1.442 0.000 0.810 110 A HN 0.541 nan 8.150 nan 0.000 0.448 111 T N -6.711 107.534 114.554 -0.516 0.000 3.132 111 T HA 0.340 4.690 4.350 -0.000 0.000 0.274 111 T C 0.182 174.650 174.700 -0.387 0.000 1.011 111 T CA 0.205 62.029 62.100 -0.460 0.000 0.899 111 T CB -0.446 68.444 68.868 0.036 0.000 1.089 111 T HN 0.678 nan 8.240 nan 0.000 0.543 112 Y N 1.064 121.340 120.300 -0.040 0.000 4.177 112 Y HA -0.250 4.300 4.550 0.000 0.000 0.227 112 Y C 1.153 177.010 175.900 -0.072 0.000 1.154 112 Y CA 0.539 58.615 58.100 -0.039 0.000 1.887 112 Y CB -3.158 35.291 38.460 -0.020 0.000 1.594 112 Y HN 0.610 nan 8.280 nan 0.000 0.668 113 T N -4.577 109.965 114.554 -0.019 0.000 3.228 113 T HA 0.685 5.035 4.350 -0.000 0.000 0.278 113 T C 1.453 176.107 174.700 -0.076 0.000 1.014 113 T CA 0.165 62.169 62.100 -0.161 0.000 0.904 113 T CB 0.584 69.112 68.868 -0.566 0.000 1.110 113 T HN 0.489 nan 8.240 nan 0.000 0.541 114 A N 1.394 124.239 122.820 0.041 0.000 2.121 114 A HA 0.553 4.873 4.320 -0.000 0.000 0.218 114 A C 1.871 179.519 177.584 0.107 0.000 1.154 114 A CA 0.663 52.714 52.037 0.023 0.000 0.679 114 A CB -0.819 18.195 19.000 0.024 0.000 0.795 114 A HN 1.497 nan 8.150 nan 0.000 0.458 115 G N -2.952 105.988 108.800 0.235 0.000 2.247 115 G HA2 0.410 4.370 3.960 -0.000 0.000 0.111 115 G HA3 0.410 4.370 3.960 -0.000 0.000 0.111 115 G C 0.968 176.177 174.900 0.515 0.000 1.045 115 G CA 0.302 45.640 45.100 0.396 0.000 0.715 115 G HN 1.992 nan 8.290 nan 0.000 0.485 116 G N -0.812 108.325 108.800 0.562 0.000 2.207 116 G HA2 -0.106 3.854 3.960 -0.000 0.000 0.216 116 G HA3 -0.106 3.854 3.960 -0.000 0.000 0.216 116 G C 0.459 175.630 174.900 0.453 0.000 1.053 116 G CA 0.046 45.422 45.100 0.459 0.000 0.764 116 G HN 1.329 nan 8.290 nan 0.000 0.495 117 L N 1.479 122.831 121.223 0.215 0.000 2.525 117 L HA 0.228 4.568 4.340 -0.000 0.000 0.278 117 L C -0.886 176.057 176.870 0.123 0.000 1.218 117 L CA -1.196 53.580 54.840 -0.105 0.000 0.878 117 L CB 0.346 42.263 42.059 -0.238 0.000 1.127 117 L HN 0.114 nan 8.230 nan 0.000 0.492 118 P HA -0.023 nan 4.420 nan 0.000 0.274 118 P C 0.581 177.952 177.300 0.118 0.000 1.231 118 P CA -0.557 62.650 63.100 0.178 0.000 0.790 118 P CB 1.004 32.836 31.700 0.219 0.000 0.951 119 L N 0.825 122.110 121.223 0.103 0.000 2.034 119 L HA -0.199 4.141 4.340 -0.000 0.000 0.217 119 L C 0.788 177.689 176.870 0.053 0.000 1.077 119 L CA 2.177 57.062 54.840 0.075 0.000 0.769 119 L CB -0.701 41.415 42.059 0.095 0.000 0.890 119 L HN 0.406 nan 8.230 nan 0.000 0.435 120 Q N -0.948 118.878 119.800 0.044 0.000 2.394 120 Q HA 0.400 4.740 4.340 -0.000 0.000 0.273 120 Q C -0.822 175.147 176.000 -0.051 0.000 1.089 120 Q CA -0.890 54.921 55.803 0.013 0.000 0.812 120 Q CB 2.003 30.738 28.738 -0.006 0.000 1.353 120 Q HN -0.070 nan 8.270 nan 0.000 0.438 121 V N 3.309 123.157 119.914 -0.109 0.000 2.585 121 V HA 0.076 4.196 4.120 -0.000 0.000 0.296 121 V C -1.989 173.915 176.094 -0.316 0.000 1.035 121 V CA -0.918 61.157 62.300 -0.375 0.000 1.084 121 V CB 0.056 31.692 31.823 -0.312 0.000 0.953 121 V HN 0.588 nan 8.190 nan 0.000 0.483 122 P HA 0.004 nan 4.420 nan 0.000 0.265 122 P C 0.445 177.654 177.300 -0.152 0.000 1.187 122 P CA 0.254 63.225 63.100 -0.215 0.000 0.766 122 P CB 0.479 32.061 31.700 -0.197 0.000 0.820 123 D N 1.494 121.850 120.400 -0.074 0.000 2.182 123 D HA -0.174 4.466 4.640 -0.000 0.000 0.201 123 D C 1.235 177.514 176.300 -0.036 0.000 0.986 123 D CA 1.283 55.259 54.000 -0.040 0.000 0.847 123 D CB 0.054 40.846 40.800 -0.014 0.000 0.942 123 D HN 0.447 nan 8.370 nan 0.000 0.467 124 E N -0.611 119.566 120.200 -0.038 0.000 2.418 124 E HA 0.002 4.351 4.350 -0.000 0.000 0.197 124 E C -0.034 176.551 176.600 -0.026 0.000 1.026 124 E CA 0.096 56.484 56.400 -0.020 0.000 0.862 124 E CB 0.324 30.020 29.700 -0.007 0.000 0.799 124 E HN 0.087 nan 8.360 nan 0.000 0.518 125 V N 1.516 121.391 119.914 -0.066 0.000 2.455 125 V HA 0.056 4.176 4.120 -0.000 0.000 0.273 125 V C 0.847 176.919 176.094 -0.036 0.000 1.045 125 V CA 0.520 62.782 62.300 -0.064 0.000 0.976 125 V CB 1.227 32.944 31.823 -0.176 0.000 0.993 125 V HN 0.147 nan 8.190 nan 0.000 0.475 126 K N 2.065 122.463 120.400 -0.003 0.000 2.606 126 K HA 0.166 4.486 4.320 -0.000 0.000 0.199 126 K C 0.904 177.513 176.600 0.015 0.000 1.403 126 K CA 0.260 56.549 56.287 0.003 0.000 1.011 126 K CB 0.480 32.985 32.500 0.008 0.000 1.623 126 K HN 0.689 nan 8.250 nan 0.000 0.512 127 S N 0.788 116.506 115.700 0.031 0.000 2.645 127 S HA 0.054 4.524 4.470 -0.000 0.000 0.266 127 S C 1.341 175.979 174.600 0.063 0.000 1.258 127 S CA -0.041 58.182 58.200 0.039 0.000 0.990 127 S CB 1.493 64.719 63.200 0.042 0.000 0.967 127 S HN 0.271 nan 8.310 nan 0.000 0.556 128 S N 1.363 117.099 115.700 0.060 0.000 2.370 128 S HA -0.154 4.316 4.470 -0.000 0.000 0.226 128 S C 1.852 176.549 174.600 0.161 0.000 1.033 128 S CA 1.483 59.739 58.200 0.093 0.000 1.011 128 S CB -1.331 61.905 63.200 0.061 0.000 0.852 128 S HN 0.670 nan 8.310 nan 0.000 0.457 129 S N 2.069 117.843 115.700 0.123 0.000 2.368 129 S HA -0.079 4.391 4.470 -0.000 0.000 0.224 129 S C 1.593 176.276 174.600 0.139 0.000 1.029 129 S CA 1.268 59.544 58.200 0.126 0.000 0.988 129 S CB -0.606 62.645 63.200 0.085 0.000 0.838 129 S HN 0.570 nan 8.310 nan 0.000 0.462 130 D N 1.205 121.678 120.400 0.121 0.000 2.117 130 D HA -0.057 4.582 4.640 -0.000 0.000 0.197 130 D C 1.869 178.284 176.300 0.191 0.000 0.987 130 D CA 0.627 54.700 54.000 0.123 0.000 0.829 130 D CB -0.381 40.466 40.800 0.078 0.000 0.961 130 D HN 0.199 nan 8.370 nan 0.000 0.460 131 L N 0.509 121.870 121.223 0.230 0.000 2.056 131 L HA -0.085 4.255 4.340 -0.000 0.000 0.207 131 L C 2.151 179.352 176.870 0.552 0.000 1.078 131 L CA 0.994 56.053 54.840 0.366 0.000 0.749 131 L CB -0.569 41.694 42.059 0.341 0.000 0.901 131 L HN -0.003 nan 8.230 nan 0.000 0.433 132 L N -0.481 121.033 121.223 0.484 0.000 2.012 132 L HA -0.221 4.119 4.340 -0.000 0.000 0.210 132 L C 2.662 179.617 176.870 0.141 0.000 1.073 132 L CA 1.766 56.784 54.840 0.296 0.000 0.748 132 L CB -0.701 41.475 42.059 0.195 0.000 0.891 132 L HN 0.221 nan 8.230 nan 0.000 0.431 133 R N -1.545 119.050 120.500 0.158 0.000 2.083 133 R HA -0.230 4.110 4.340 -0.000 0.000 0.237 133 R C 2.311 178.701 176.300 0.149 0.000 1.137 133 R CA 1.976 58.149 56.100 0.121 0.000 0.951 133 R CB -0.686 29.686 30.300 0.120 0.000 0.851 133 R HN 0.452 nan 8.270 nan 0.000 0.434 134 F N 0.440 120.425 119.950 0.058 0.000 2.065 134 F HA -0.286 4.241 4.527 -0.000 0.000 0.298 134 F C 1.704 177.540 175.800 0.060 0.000 1.112 134 F CA 1.613 59.609 58.000 -0.007 0.000 1.212 134 F CB -0.641 38.267 39.000 -0.152 0.000 0.975 134 F HN -0.007 nan 8.300 nan 0.000 0.476 135 Y N 0.379 120.669 120.300 -0.016 0.000 2.263 135 Y HA -0.149 4.401 4.550 0.000 0.000 0.292 135 Y C 2.625 178.659 175.900 0.222 0.000 1.130 135 Y CA 1.412 59.528 58.100 0.025 0.000 1.179 135 Y CB -0.933 37.526 38.460 -0.002 0.000 0.998 135 Y HN 0.130 nan 8.280 nan 0.000 0.532 136 Q N 0.133 120.026 119.800 0.154 0.000 2.170 136 Q HA -0.181 4.159 4.340 -0.000 0.000 0.203 136 Q C 1.261 177.366 176.000 0.176 0.000 0.976 136 Q CA 1.500 57.386 55.803 0.137 0.000 0.858 136 Q CB -0.518 28.218 28.738 -0.004 0.000 0.907 136 Q HN 0.670 nan 8.270 nan 0.000 0.433 137 N N -0.946 117.818 118.700 0.106 0.000 2.373 137 N HA -0.031 4.709 4.740 -0.000 0.000 0.181 137 N C -0.052 175.473 175.510 0.024 0.000 1.082 137 N CA -0.393 52.686 53.050 0.048 0.000 0.885 137 N CB 0.185 38.693 38.487 0.035 0.000 0.977 137 N HN 0.172 nan 8.380 nan 0.000 0.462 138 W N 2.702 123.901 121.300 -0.169 0.000 2.210 138 W HA 0.118 4.778 4.660 -0.000 0.000 0.330 138 W C -0.644 175.766 176.519 -0.182 0.000 1.334 138 W CA -0.042 57.159 57.345 -0.241 0.000 1.227 138 W CB 0.604 29.860 29.460 -0.340 0.000 1.178 138 W HN -0.093 nan 8.180 nan 0.000 0.560 139 Q N 7.927 127.086 119.800 -1.069 0.000 2.330 139 Q HA 0.338 4.678 4.340 -0.000 0.000 0.269 139 Q C -2.128 172.943 176.000 -1.548 0.000 1.022 139 Q CA -2.053 53.084 55.803 -1.110 0.000 0.796 139 Q CB 1.566 29.964 28.738 -0.567 0.000 1.271 139 Q HN 0.394 nan 8.270 nan 0.000 0.450 140 P HA 0.122 nan 4.420 nan 0.000 0.271 140 P C -0.183 176.704 177.300 -0.689 0.000 1.218 140 P CA -0.007 62.412 63.100 -1.134 0.000 0.780 140 P CB 0.938 32.188 31.700 -0.751 0.000 0.901 141 A N 2.326 124.744 122.820 -0.671 0.000 2.021 141 A HA 0.090 4.410 4.320 -0.000 0.000 0.216 141 A C 0.389 177.276 177.584 -1.161 0.000 1.163 141 A CA 0.720 52.114 52.037 -1.071 0.000 0.676 141 A CB -0.259 17.667 19.000 -1.790 0.000 0.818 141 A HN 0.587 nan 8.150 nan 0.000 0.453 142 W N -2.904 118.347 121.300 -0.082 0.000 3.075 142 W HA 0.635 5.295 4.660 -0.000 0.000 0.334 142 W C -0.028 176.435 176.519 -0.093 0.000 1.243 142 W CA -1.254 56.047 57.345 -0.073 0.000 1.170 142 W CB 0.946 30.377 29.460 -0.048 0.000 1.452 142 W HN 0.129 nan 8.180 nan 0.000 0.572 143 A N 2.322 125.231 122.820 0.147 0.000 2.406 143 A HA 0.567 4.887 4.320 -0.000 0.000 0.243 143 A C -2.237 175.355 177.584 0.013 0.000 1.082 143 A CA -0.799 51.262 52.037 0.040 0.000 0.786 143 A CB -0.714 18.308 19.000 0.036 0.000 1.029 143 A HN 0.142 nan 8.150 nan 0.000 0.495 144 P HA 0.297 nan 4.420 nan 0.000 0.269 144 P C 0.788 177.927 177.300 -0.269 0.000 1.209 144 P CA 1.570 64.484 63.100 -0.311 0.000 0.776 144 P CB 0.535 31.969 31.700 -0.444 0.000 0.876 145 G N 1.451 110.034 108.800 -0.361 0.000 2.198 145 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.260 145 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.260 145 G C 0.652 175.500 174.900 -0.087 0.000 1.025 145 G CA 0.782 45.843 45.100 -0.064 0.000 0.769 145 G HN 0.694 nan 8.290 nan 0.000 0.507 146 T N -5.209 109.250 114.554 -0.159 0.000 2.987 146 T HA 0.442 4.792 4.350 -0.000 0.000 0.248 146 T C 0.534 175.089 174.700 -0.242 0.000 0.997 146 T CA 0.792 62.824 62.100 -0.113 0.000 1.013 146 T CB 0.667 69.512 68.868 -0.039 0.000 1.077 146 T HN 0.274 nan 8.240 nan 0.000 0.483 147 Q N 0.960 120.567 119.800 -0.322 0.000 2.331 147 Q HA 0.460 4.800 4.340 -0.000 0.000 0.272 147 Q C -1.408 174.390 176.000 -0.336 0.000 1.062 147 Q CA -0.463 55.063 55.803 -0.462 0.000 0.806 147 Q CB 3.131 31.277 28.738 -0.988 0.000 1.312 147 Q HN 0.386 nan 8.270 nan 0.000 0.431 148 R N 2.374 122.707 120.500 -0.278 0.000 2.221 148 R HA 0.517 4.857 4.340 -0.000 0.000 0.327 148 R C -1.147 175.123 176.300 -0.049 0.000 1.033 148 R CA -0.526 55.501 56.100 -0.121 0.000 0.887 148 R CB 0.433 30.700 30.300 -0.056 0.000 1.057 148 R HN 0.460 nan 8.270 nan 0.000 0.455 149 L N 6.080 127.346 121.223 0.071 0.000 2.415 149 L HA 0.259 4.598 4.340 -0.000 0.000 0.268 149 L C -1.387 175.518 176.870 0.057 0.000 0.984 149 L CA -0.743 54.163 54.840 0.111 0.000 0.853 149 L CB 1.044 43.263 42.059 0.267 0.000 1.215 149 L HN 0.602 nan 8.230 nan 0.000 0.419 150 Y N 4.959 125.126 120.300 -0.220 0.000 2.810 150 Y HA 0.381 4.931 4.550 -0.000 0.000 0.332 150 Y C -0.029 175.696 175.900 -0.291 0.000 1.243 150 Y CA 0.871 58.615 58.100 -0.593 0.000 1.537 150 Y CB 0.465 38.637 38.460 -0.480 0.000 1.265 150 Y HN 0.817 nan 8.280 nan 0.000 0.572 151 A N 5.877 128.191 122.820 -0.843 0.000 2.485 151 A HA 0.268 4.588 4.320 -0.000 0.000 0.285 151 A C -0.014 177.443 177.584 -0.211 0.000 1.045 151 A CA -0.875 50.994 52.037 -0.279 0.000 0.792 151 A CB 0.631 19.633 19.000 0.004 0.000 1.307 151 A HN 0.809 nan 8.150 nan 0.000 0.406 152 N N 1.262 119.888 118.700 -0.123 0.000 2.205 152 N HA -0.164 4.576 4.740 -0.000 0.000 0.186 152 N C 2.003 177.574 175.510 0.101 0.000 1.015 152 N CA 1.984 55.055 53.050 0.035 0.000 0.862 152 N CB -0.068 38.509 38.487 0.149 0.000 0.986 152 N HN 0.848 nan 8.380 nan 0.000 0.429 153 S N -1.058 114.717 115.700 0.125 0.000 2.481 153 S HA 0.034 4.504 4.470 -0.000 0.000 0.231 153 S C 2.026 176.795 174.600 0.282 0.000 0.996 153 S CA 0.890 59.235 58.200 0.241 0.000 0.942 153 S CB 0.021 63.379 63.200 0.264 0.000 0.768 153 S HN 0.209 nan 8.310 nan 0.000 0.520 154 S N 1.323 117.134 115.700 0.185 0.000 2.324 154 S HA 0.236 4.706 4.470 -0.000 0.000 0.210 154 S C 1.658 176.340 174.600 0.135 0.000 1.027 154 S CA 0.475 58.774 58.200 0.165 0.000 0.945 154 S CB -0.586 62.724 63.200 0.184 0.000 0.908 154 S HN 0.551 nan 8.310 nan 0.000 0.496 155 I N 1.302 121.949 120.570 0.127 0.000 2.493 155 I HA -0.013 4.157 4.170 -0.000 0.000 0.254 155 I C 2.131 178.321 176.117 0.121 0.000 1.160 155 I CA 1.216 62.582 61.300 0.110 0.000 1.445 155 I CB -0.634 37.406 38.000 0.067 0.000 1.086 155 I HN 0.489 nan 8.210 nan 0.000 0.433 156 G N 1.026 109.863 108.800 0.062 0.000 2.446 156 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.217 156 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.217 156 G C 1.540 176.385 174.900 -0.091 0.000 1.168 156 G CA 0.971 46.042 45.100 -0.050 0.000 0.771 156 G HN 0.392 nan 8.290 nan 0.000 0.551 157 L N -0.354 120.864 121.223 -0.009 0.000 2.056 157 L HA 0.147 4.487 4.340 -0.000 0.000 0.207 157 L C 2.441 179.257 176.870 -0.090 0.000 1.078 157 L CA 1.473 56.241 54.840 -0.120 0.000 0.749 157 L CB -0.739 41.186 42.059 -0.224 0.000 0.901 157 L HN 0.216 nan 8.230 nan 0.000 0.433 158 F N 0.589 120.468 119.950 -0.119 0.000 2.063 158 F HA -0.206 4.321 4.527 -0.000 0.000 0.298 158 F C 2.185 177.913 175.800 -0.120 0.000 1.109 158 F CA 2.013 59.946 58.000 -0.111 0.000 1.212 158 F CB -1.117 37.829 39.000 -0.090 0.000 0.973 158 F HN 0.136 nan 8.300 nan 0.000 0.480 159 G N -0.565 108.095 108.800 -0.233 0.000 2.418 159 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.217 159 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.217 159 G C 1.823 176.557 174.900 -0.276 0.000 1.158 159 G CA 1.042 45.975 45.100 -0.279 0.000 0.771 159 G HN 0.691 nan 8.290 nan 0.000 0.545 160 A N 0.490 123.097 122.820 -0.355 0.000 1.902 160 A HA 0.111 4.431 4.320 -0.000 0.000 0.217 160 A C 2.440 179.846 177.584 -0.296 0.000 1.181 160 A CA 1.300 53.150 52.037 -0.311 0.000 0.623 160 A CB -0.363 18.418 19.000 -0.365 0.000 0.818 160 A HN 0.358 nan 8.150 nan 0.000 0.443 161 L N -0.979 120.038 121.223 -0.343 0.000 2.109 161 L HA -0.105 4.235 4.340 -0.000 0.000 0.207 161 L C 3.046 179.671 176.870 -0.410 0.000 1.086 161 L CA 0.834 55.482 54.840 -0.321 0.000 0.760 161 L CB -0.632 41.285 42.059 -0.238 0.000 0.910 161 L HN 0.420 nan 8.230 nan 0.000 0.437 162 A N 0.424 122.909 122.820 -0.559 0.000 1.978 162 A HA -0.167 4.153 4.320 -0.000 0.000 0.220 162 A C 2.173 179.545 177.584 -0.353 0.000 1.170 162 A CA 2.032 53.708 52.037 -0.601 0.000 0.636 162 A CB -0.774 17.712 19.000 -0.858 0.000 0.810 162 A HN 0.364 nan 8.150 nan 0.000 0.448 163 V N -4.085 115.682 119.914 -0.245 0.000 3.608 163 V HA 0.068 4.188 4.120 -0.000 0.000 0.269 163 V C 1.748 177.766 176.094 -0.127 0.000 1.245 163 V CA 1.029 63.231 62.300 -0.163 0.000 1.138 163 V CB -0.403 31.354 31.823 -0.111 0.000 0.841 163 V HN 0.237 nan 8.190 nan 0.000 0.451 164 K N 1.469 121.790 120.400 -0.130 0.000 2.032 164 K HA -0.047 4.273 4.320 -0.000 0.000 0.209 164 K C 0.280 176.866 176.600 -0.023 0.000 1.048 164 K CA 2.018 58.263 56.287 -0.071 0.000 0.927 164 K CB -1.736 30.736 32.500 -0.046 0.000 0.712 164 K HN 0.476 nan 8.250 nan 0.000 0.441 165 P HA -0.125 nan 4.420 nan 0.000 0.216 165 P C 1.452 178.745 177.300 -0.013 0.000 1.150 165 P CA 1.553 64.669 63.100 0.026 0.000 0.837 165 P CB -0.113 31.623 31.700 0.059 0.000 0.786 166 S N -1.267 114.406 115.700 -0.045 0.000 2.442 166 S HA -0.006 4.464 4.470 -0.000 0.000 0.236 166 S C 1.942 176.512 174.600 -0.051 0.000 1.007 166 S CA 1.166 59.333 58.200 -0.056 0.000 0.965 166 S CB -1.650 61.498 63.200 -0.086 0.000 0.773 166 S HN 0.321 nan 8.310 nan 0.000 0.504 167 G N 0.661 109.432 108.800 -0.048 0.000 2.189 167 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.267 167 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.267 167 G C 0.031 174.897 174.900 -0.055 0.000 0.975 167 G CA 0.664 45.737 45.100 -0.045 0.000 0.644 167 G HN 0.607 nan 8.290 nan 0.000 0.537 168 L N 1.610 122.789 121.223 -0.072 0.000 2.399 168 L HA 0.552 4.892 4.340 -0.000 0.000 0.266 168 L C 1.513 178.334 176.870 -0.082 0.000 1.114 168 L CA -0.222 54.568 54.840 -0.084 0.000 0.804 168 L CB 1.244 43.236 42.059 -0.113 0.000 1.146 168 L HN 0.391 nan 8.230 nan 0.000 0.451 169 S N 0.663 116.320 115.700 -0.071 0.000 2.576 169 S HA 0.005 4.475 4.470 -0.000 0.000 0.272 169 S C 0.892 175.456 174.600 -0.061 0.000 1.352 169 S CA -0.337 57.834 58.200 -0.048 0.000 1.021 169 S CB 0.391 63.571 63.200 -0.034 0.000 0.887 169 S HN 0.545 nan 8.310 nan 0.000 0.542 170 F N 1.278 121.136 119.950 -0.153 0.000 2.091 170 F HA -0.121 4.406 4.527 -0.000 0.000 0.299 170 F C 2.510 178.197 175.800 -0.189 0.000 1.103 170 F CA 2.316 60.208 58.000 -0.179 0.000 1.228 170 F CB -0.452 38.441 39.000 -0.179 0.000 0.984 170 F HN 0.944 nan 8.300 nan 0.000 0.477 171 E N -0.651 119.509 120.200 -0.068 0.000 2.077 171 E HA -0.247 4.103 4.350 -0.000 0.000 0.193 171 E C 2.178 178.624 176.600 -0.256 0.000 0.989 171 E CA 1.263 57.573 56.400 -0.150 0.000 0.800 171 E CB -0.097 29.598 29.700 -0.007 0.000 0.746 171 E HN 0.377 nan 8.360 nan 0.000 0.452 172 Q N -0.078 119.608 119.800 -0.190 0.000 2.119 172 Q HA -0.071 4.269 4.340 -0.000 0.000 0.201 172 Q C 2.063 177.904 176.000 -0.265 0.000 0.972 172 Q CA 1.301 56.993 55.803 -0.184 0.000 0.847 172 Q CB -0.341 28.326 28.738 -0.117 0.000 0.903 172 Q HN 0.376 nan 8.270 nan 0.000 0.433 173 A N 0.627 123.255 122.820 -0.320 0.000 1.877 173 A HA -0.217 4.103 4.320 -0.000 0.000 0.216 173 A C 2.158 179.448 177.584 -0.489 0.000 1.186 173 A CA 1.932 53.752 52.037 -0.362 0.000 0.620 173 A CB -0.511 18.261 19.000 -0.381 0.000 0.822 173 A HN 0.351 nan 8.150 nan 0.000 0.443 174 M N -0.103 119.064 119.600 -0.722 0.000 2.086 174 M HA -0.202 4.278 4.480 -0.000 0.000 0.261 174 M C 2.179 177.872 176.300 -1.012 0.000 1.067 174 M CA 2.052 56.779 55.300 -0.954 0.000 1.116 174 M CB -0.618 31.256 32.600 -1.210 0.000 1.348 174 M HN 0.536 nan 8.290 nan 0.000 0.407 175 Q N -1.064 118.279 119.800 -0.761 0.000 2.030 175 Q HA -0.177 4.163 4.340 -0.000 0.000 0.204 175 Q C 1.946 177.769 176.000 -0.296 0.000 0.986 175 Q CA 2.421 57.941 55.803 -0.471 0.000 0.843 175 Q CB -0.570 27.998 28.738 -0.282 0.000 0.904 175 Q HN 0.776 nan 8.270 nan 0.000 0.420 176 T N -2.019 112.379 114.554 -0.260 0.000 3.014 176 T HA 0.038 4.388 4.350 -0.000 0.000 0.263 176 T C 1.681 176.290 174.700 -0.151 0.000 1.078 176 T CA 0.485 62.484 62.100 -0.169 0.000 1.135 176 T CB 0.071 68.855 68.868 -0.140 0.000 0.895 176 T HN 0.135 nan 8.240 nan 0.000 0.480 177 R N -0.141 120.239 120.500 -0.201 0.000 2.282 177 R HA 0.392 4.732 4.340 -0.000 0.000 0.195 177 R C 1.491 177.729 176.300 -0.103 0.000 0.909 177 R CA 0.212 56.226 56.100 -0.144 0.000 1.039 177 R CB 0.511 30.717 30.300 -0.158 0.000 1.015 177 R HN 0.292 nan 8.270 nan 0.000 0.513 178 V N -1.016 118.803 119.914 -0.158 0.000 3.134 178 V HA 0.038 4.158 4.120 -0.000 0.000 0.222 178 V C 1.386 177.552 176.094 0.121 0.000 1.247 178 V CA 0.422 62.716 62.300 -0.011 0.000 1.281 178 V CB -0.355 31.442 31.823 -0.044 0.000 1.169 178 V HN -0.030 nan 8.190 nan 0.000 0.512 179 F N 1.558 121.436 119.950 -0.121 0.000 2.102 179 F HA -0.141 4.386 4.527 -0.000 0.000 0.298 179 F C 2.611 178.329 175.800 -0.137 0.000 1.105 179 F CA 1.536 59.430 58.000 -0.176 0.000 1.239 179 F CB -1.147 37.638 39.000 -0.359 0.000 0.991 179 F HN 0.208 nan 8.300 nan 0.000 0.474 180 Q N -0.357 119.471 119.800 0.045 0.000 2.046 180 Q HA -0.123 4.217 4.340 -0.000 0.000 0.200 180 Q C -0.316 175.686 176.000 0.004 0.000 0.975 180 Q CA 1.478 57.271 55.803 -0.017 0.000 0.836 180 Q CB -1.435 27.267 28.738 -0.060 0.000 0.896 180 Q HN 0.261 nan 8.270 nan 0.000 0.428 181 P HA -0.159 nan 4.420 nan 0.000 0.218 181 P C 0.651 177.981 177.300 0.050 0.000 1.148 181 P CA 1.241 64.355 63.100 0.024 0.000 0.822 181 P CB 0.045 31.760 31.700 0.026 0.000 0.784 182 L N -1.579 119.700 121.223 0.094 0.000 2.592 182 L HA 0.163 4.503 4.340 -0.000 0.000 0.227 182 L C 0.410 177.333 176.870 0.089 0.000 1.127 182 L CA 0.067 54.981 54.840 0.122 0.000 0.884 182 L CB -0.588 41.616 42.059 0.242 0.000 1.065 182 L HN -0.054 nan 8.230 nan 0.000 0.457 183 K N 0.885 121.312 120.400 0.045 0.000 3.125 183 K HA -0.164 4.156 4.320 -0.000 0.000 0.268 183 K C -0.291 176.307 176.600 -0.004 0.000 1.078 183 K CA 0.378 56.669 56.287 0.008 0.000 0.775 183 K CB -1.791 30.718 32.500 0.015 0.000 1.253 183 K HN 0.328 nan 8.250 nan 0.000 0.486 184 L N 1.305 122.514 121.223 -0.024 0.000 2.387 184 L HA 0.133 4.473 4.340 -0.000 0.000 0.267 184 L C 0.960 177.671 176.870 -0.266 0.000 1.197 184 L CA -0.473 54.300 54.840 -0.111 0.000 1.070 184 L CB 0.112 42.076 42.059 -0.159 0.000 1.349 184 L HN 0.143 nan 8.230 nan 0.000 0.422 185 N N 0.201 118.763 118.700 -0.230 0.000 2.398 185 N HA -0.005 4.735 4.740 -0.000 0.000 0.188 185 N C 0.603 175.690 175.510 -0.704 0.000 1.122 185 N CA 0.584 53.383 53.050 -0.417 0.000 0.866 185 N CB 0.250 38.522 38.487 -0.358 0.000 0.970 185 N HN 0.488 nan 8.380 nan 0.000 0.462 186 H N -1.041 117.929 119.070 -0.167 0.000 2.651 186 H HA 0.288 4.844 4.556 -0.000 0.000 0.241 186 H C -0.397 174.817 175.328 -0.191 0.000 1.225 186 H CA -0.086 55.926 56.048 -0.060 0.000 0.942 186 H CB 0.351 30.110 29.762 -0.005 0.000 1.996 186 H HN -0.146 nan 8.280 nan 0.000 0.600 187 T N 0.896 115.129 114.554 -0.536 0.000 2.812 187 T HA 0.353 4.703 4.350 -0.000 0.000 0.282 187 T C -0.821 173.186 174.700 -1.154 0.000 0.990 187 T CA -0.435 61.171 62.100 -0.822 0.000 0.960 187 T CB 1.469 69.612 68.868 -1.209 0.000 0.948 187 T HN 0.249 nan 8.240 nan 0.000 0.438 188 W N 1.915 122.881 121.300 -0.557 0.000 3.256 188 W HA 0.524 5.184 4.660 0.000 0.000 0.324 188 W C 0.575 176.958 176.519 -0.227 0.000 1.196 188 W CA -0.792 56.375 57.345 -0.296 0.000 1.206 188 W CB 1.142 30.439 29.460 -0.272 0.000 1.385 188 W HN 0.503 nan 8.180 nan 0.000 0.522 189 I N 1.557 122.241 120.570 0.191 0.000 2.400 189 I HA -0.061 4.109 4.170 -0.000 0.000 0.248 189 I C 0.398 176.541 176.117 0.044 0.000 1.109 189 I CA 0.887 62.239 61.300 0.086 0.000 1.425 189 I CB -0.033 38.032 38.000 0.109 0.000 1.094 189 I HN 0.274 nan 8.210 nan 0.000 0.425 190 N N 1.407 120.173 118.700 0.111 0.000 2.476 190 N HA 0.235 4.975 4.740 -0.000 0.000 0.257 190 N C -0.841 174.579 175.510 -0.149 0.000 0.970 190 N CA -0.198 52.842 53.050 -0.017 0.000 0.938 190 N CB 2.484 40.968 38.487 -0.006 0.000 1.144 190 N HN -0.187 nan 8.380 nan 0.000 0.500 191 V N 4.979 124.709 119.914 -0.307 0.000 2.479 191 V HA 0.114 4.234 4.120 -0.000 0.000 0.281 191 V C -1.461 174.294 176.094 -0.566 0.000 1.031 191 V CA -0.808 61.163 62.300 -0.548 0.000 1.038 191 V CB 0.275 31.717 31.823 -0.635 0.000 0.981 191 V HN 0.507 nan 8.190 nan 0.000 0.478 192 P HA 0.292 nan 4.420 nan 0.000 0.276 192 P C -2.312 174.755 177.300 -0.388 0.000 1.252 192 P CA -1.906 60.816 63.100 -0.630 0.000 0.802 192 P CB 0.553 31.726 31.700 -0.880 0.000 1.035 193 P HA -0.200 nan 4.420 nan 0.000 0.216 193 P C 1.452 178.673 177.300 -0.131 0.000 1.154 193 P CA 2.245 65.257 63.100 -0.147 0.000 0.865 193 P CB -0.488 31.149 31.700 -0.105 0.000 0.789 194 A N -0.390 122.339 122.820 -0.152 0.000 2.070 194 A HA -0.173 4.147 4.320 -0.000 0.000 0.220 194 A C 1.986 179.516 177.584 -0.090 0.000 1.159 194 A CA 1.426 53.404 52.037 -0.098 0.000 0.656 194 A CB -0.724 18.229 19.000 -0.079 0.000 0.800 194 A HN 0.110 nan 8.150 nan 0.000 0.453 195 E N -0.466 119.636 120.200 -0.164 0.000 2.472 195 E HA 0.003 4.353 4.350 -0.000 0.000 0.196 195 E C 1.349 177.898 176.600 -0.085 0.000 1.033 195 E CA 0.106 56.432 56.400 -0.123 0.000 0.886 195 E CB -0.022 29.549 29.700 -0.216 0.000 0.944 195 E HN 0.743 nan 8.360 nan 0.000 0.492 196 E N 1.360 121.513 120.200 -0.077 0.000 2.130 196 E HA -0.225 4.125 4.350 -0.000 0.000 0.196 196 E C 1.989 178.602 176.600 0.022 0.000 0.998 196 E CA 1.404 57.800 56.400 -0.007 0.000 0.806 196 E CB -0.112 29.585 29.700 -0.006 0.000 0.738 196 E HN 0.238 nan 8.360 nan 0.000 0.459 197 K N 0.381 120.789 120.400 0.014 0.000 2.283 197 K HA -0.076 4.244 4.320 -0.000 0.000 0.202 197 K C 1.262 177.882 176.600 0.033 0.000 1.048 197 K CA 1.171 57.476 56.287 0.031 0.000 0.948 197 K CB 0.066 32.581 32.500 0.026 0.000 0.742 197 K HN -0.012 nan 8.250 nan 0.000 0.458 198 N N -0.050 118.665 118.700 0.025 0.000 2.299 198 N HA -0.061 4.679 4.740 -0.000 0.000 0.187 198 N C -0.612 174.925 175.510 0.045 0.000 1.099 198 N CA 0.112 53.177 53.050 0.024 0.000 0.867 198 N CB 0.108 38.599 38.487 0.008 0.000 0.974 198 N HN 0.184 nan 8.380 nan 0.000 0.477 199 Y N 2.980 123.196 120.300 -0.141 0.000 2.486 199 Y HA 0.403 4.953 4.550 0.000 0.000 0.348 199 Y C 0.192 175.973 175.900 -0.199 0.000 1.000 199 Y CA -1.826 56.148 58.100 -0.210 0.000 1.253 199 Y CB -0.488 37.786 38.460 -0.309 0.000 1.140 199 Y HN -0.041 nan 8.280 nan 0.000 0.526 200 A N 6.231 129.080 122.820 0.048 0.000 2.520 200 A HA 0.038 4.358 4.320 -0.000 0.000 0.235 200 A C -0.414 177.120 177.584 -0.083 0.000 1.065 200 A CA -0.255 51.776 52.037 -0.011 0.000 0.764 200 A CB -0.006 18.941 19.000 -0.088 0.000 1.002 200 A HN 0.877 nan 8.150 nan 0.000 0.502 201 W N 0.949 122.241 121.300 -0.013 0.000 2.218 201 W HA 0.449 5.109 4.660 0.000 0.000 0.326 201 W C 1.005 177.234 176.519 -0.483 0.000 1.276 201 W CA 0.658 57.803 57.345 -0.334 0.000 1.210 201 W CB 0.837 29.958 29.460 -0.566 0.000 1.143 201 W HN 0.935 nan 8.180 nan 0.000 0.563 202 G N 1.638 110.239 108.800 -0.331 0.000 2.476 202 G HA2 0.456 4.416 3.960 -0.000 0.000 0.286 202 G HA3 0.456 4.416 3.960 -0.000 0.000 0.286 202 G C -2.068 172.429 174.900 -0.671 0.000 1.177 202 G CA -0.492 44.139 45.100 -0.781 0.000 0.870 202 G HN 0.432 nan 8.290 nan 0.000 0.528 203 Y N -0.068 120.138 120.300 -0.157 0.000 2.326 203 Y HA 0.523 5.073 4.550 -0.000 0.000 0.329 203 Y C 0.451 176.338 175.900 -0.022 0.000 0.973 203 Y CA -0.789 57.277 58.100 -0.056 0.000 1.162 203 Y CB 2.172 40.608 38.460 -0.040 0.000 1.147 203 Y HN 0.462 nan 8.280 nan 0.000 0.456 204 R N 3.085 123.642 120.500 0.095 0.000 2.473 204 R HA 0.258 4.598 4.340 -0.000 0.000 0.303 204 R C -0.667 175.673 176.300 0.067 0.000 1.002 204 R CA -0.332 55.814 56.100 0.076 0.000 0.884 204 R CB 0.726 31.057 30.300 0.053 0.000 1.173 204 R HN 0.801 nan 8.270 nan 0.000 0.464 205 E N 2.529 122.768 120.200 0.065 0.000 2.476 205 E HA -0.234 4.116 4.350 -0.000 0.000 0.251 205 E C 0.511 177.141 176.600 0.051 0.000 1.130 205 E CA 1.254 57.682 56.400 0.047 0.000 0.736 205 E CB -1.454 28.265 29.700 0.031 0.000 1.298 205 E HN 1.188 nan 8.360 nan 0.000 0.400 206 G N -0.679 108.172 108.800 0.085 0.000 2.184 206 G HA2 -0.339 3.621 3.960 -0.000 0.000 0.264 206 G HA3 -0.339 3.621 3.960 -0.000 0.000 0.264 206 G C 0.155 175.141 174.900 0.142 0.000 0.975 206 G CA 0.869 46.025 45.100 0.094 0.000 0.642 206 G HN 0.143 nan 8.290 nan 0.000 0.536 207 K N 0.577 121.042 120.400 0.109 0.000 2.159 207 K HA 0.722 5.042 4.320 -0.000 0.000 0.266 207 K C 0.427 176.978 176.600 -0.081 0.000 0.975 207 K CA 0.023 56.321 56.287 0.020 0.000 0.865 207 K CB 1.689 34.172 32.500 -0.028 0.000 1.087 207 K HN 0.614 nan 8.250 nan 0.000 0.446 208 A N 2.643 125.297 122.820 -0.276 0.000 2.451 208 A HA 0.400 4.720 4.320 -0.000 0.000 0.266 208 A C 0.158 177.499 177.584 -0.405 0.000 1.119 208 A CA -0.380 51.257 52.037 -0.667 0.000 0.786 208 A CB -0.254 18.146 19.000 -1.000 0.000 1.061 208 A HN 0.502 nan 8.150 nan 0.000 0.503 209 V N 1.088 120.901 119.914 -0.169 0.000 2.971 209 V HA 0.692 4.812 4.120 -0.000 0.000 0.309 209 V C -0.720 175.486 176.094 0.187 0.000 1.130 209 V CA -0.850 61.481 62.300 0.052 0.000 0.964 209 V CB 1.250 33.096 31.823 0.039 0.000 1.029 209 V HN 0.945 nan 8.190 nan 0.000 0.427 210 H N 0.709 119.931 119.070 0.254 0.000 2.670 210 H HA 0.686 5.242 4.556 -0.000 0.000 0.361 210 H C -0.415 175.020 175.328 0.178 0.000 1.169 210 H CA -0.982 55.157 56.048 0.152 0.000 1.198 210 H CB 2.280 32.010 29.762 -0.053 0.000 1.700 210 H HN 0.795 nan 8.280 nan 0.000 0.542 211 V N 2.248 122.363 119.914 0.335 0.000 2.694 211 V HA -0.039 4.081 4.120 -0.000 0.000 0.306 211 V C -0.155 176.068 176.094 0.215 0.000 1.054 211 V CA 0.362 62.813 62.300 0.251 0.000 1.161 211 V CB 0.676 32.651 31.823 0.252 0.000 0.916 211 V HN 0.753 nan 8.190 nan 0.000 0.490 212 S N 7.720 123.530 115.700 0.184 0.000 2.565 212 S HA 0.410 4.880 4.470 -0.000 0.000 0.276 212 S C -2.225 172.472 174.600 0.162 0.000 1.326 212 S CA -0.654 57.636 58.200 0.150 0.000 1.045 212 S CB 0.983 64.252 63.200 0.115 0.000 0.918 212 S HN 0.829 nan 8.310 nan 0.000 0.505 213 P HA 0.373 nan 4.420 nan 0.000 0.266 213 P C -0.091 177.268 177.300 0.099 0.000 1.193 213 P CA 0.069 63.221 63.100 0.086 0.000 0.770 213 P CB 0.331 32.063 31.700 0.053 0.000 0.836 214 G N 0.066 108.913 108.800 0.078 0.000 2.673 214 G HA2 0.542 4.502 3.960 -0.000 0.000 0.292 214 G HA3 0.542 4.502 3.960 -0.000 0.000 0.292 214 G C -1.395 173.509 174.900 0.008 0.000 1.450 214 G CA -0.405 44.749 45.100 0.090 0.000 0.837 214 G HN 0.527 nan 8.290 nan 0.000 0.505 215 A N 0.638 123.456 122.820 -0.004 0.000 2.520 215 A HA 0.538 4.858 4.320 -0.000 0.000 0.245 215 A C 1.429 178.969 177.584 -0.072 0.000 1.072 215 A CA 0.567 52.580 52.037 -0.039 0.000 0.761 215 A CB -0.416 18.561 19.000 -0.039 0.000 1.004 215 A HN 1.784 nan 8.150 nan 0.000 0.499 216 L N 0.509 121.653 121.223 -0.132 0.000 4.001 216 L HA -0.325 4.015 4.340 -0.000 0.000 0.413 216 L C 1.158 177.805 176.870 -0.371 0.000 1.185 216 L CA 0.656 55.365 54.840 -0.219 0.000 0.963 216 L CB -1.796 40.193 42.059 -0.116 0.000 1.976 216 L HN 0.998 nan 8.230 nan 0.000 0.939 217 D N 0.214 120.345 120.400 -0.449 0.000 2.117 217 D HA -0.137 4.503 4.640 -0.000 0.000 0.198 217 D C 1.978 177.848 176.300 -0.718 0.000 0.982 217 D CA 1.425 54.866 54.000 -0.931 0.000 0.828 217 D CB -0.119 40.305 40.800 -0.628 0.000 0.967 217 D HN 0.441 nan 8.370 nan 0.000 0.464 218 A N 0.744 123.314 122.820 -0.416 0.000 1.908 218 A HA -0.220 4.100 4.320 -0.000 0.000 0.218 218 A C 2.111 179.478 177.584 -0.362 0.000 1.181 218 A CA 1.939 53.819 52.037 -0.261 0.000 0.627 218 A CB -0.674 18.263 19.000 -0.105 0.000 0.818 218 A HN 0.222 nan 8.150 nan 0.000 0.445 219 E N -0.460 119.323 120.200 -0.694 0.000 2.152 219 E HA 0.127 4.477 4.350 -0.000 0.000 0.192 219 E C 2.010 178.428 176.600 -0.305 0.000 0.983 219 E CA 1.230 57.114 56.400 -0.861 0.000 0.818 219 E CB -0.215 28.931 29.700 -0.923 0.000 0.758 219 E HN 0.598 nan 8.360 nan 0.000 0.467 220 A N -0.267 122.398 122.820 -0.258 0.000 1.993 220 A HA 0.089 4.409 4.320 -0.000 0.000 0.207 220 A C 0.721 178.387 177.584 0.137 0.000 1.224 220 A CA 0.541 52.566 52.037 -0.021 0.000 0.749 220 A CB 0.017 19.062 19.000 0.076 0.000 0.884 220 A HN 0.400 nan 8.150 nan 0.000 0.467 221 Y N -3.732 116.586 120.300 0.031 0.000 2.892 221 Y HA 0.513 5.063 4.550 -0.000 0.000 0.242 221 Y C 0.944 176.864 175.900 0.033 0.000 1.080 221 Y CA -0.489 57.646 58.100 0.057 0.000 1.147 221 Y CB -0.429 38.074 38.460 0.071 0.000 1.229 221 Y HN -0.012 nan 8.280 nan 0.000 0.633 222 G N 0.549 109.304 108.800 -0.075 0.000 2.777 222 G HA2 0.225 4.185 3.960 -0.000 0.000 0.211 222 G HA3 0.225 4.185 3.960 -0.000 0.000 0.211 222 G C 0.023 174.900 174.900 -0.038 0.000 1.149 222 G CA 0.333 45.381 45.100 -0.087 0.000 0.785 222 G HN 0.158 nan 8.290 nan 0.000 0.536 223 V N 0.608 120.500 119.914 -0.036 0.000 2.509 223 V HA 0.451 4.571 4.120 -0.000 0.000 0.284 223 V C -0.444 175.548 176.094 -0.170 0.000 1.047 223 V CA -0.624 61.592 62.300 -0.141 0.000 0.952 223 V CB 1.567 33.214 31.823 -0.294 0.000 0.988 223 V HN 0.111 nan 8.190 nan 0.000 0.469 224 K N 2.433 122.687 120.400 -0.243 0.000 2.270 224 K HA 0.800 5.120 4.320 -0.000 0.000 0.255 224 K C -0.551 175.902 176.600 -0.245 0.000 0.936 224 K CA -0.200 55.928 56.287 -0.265 0.000 0.809 224 K CB 1.993 34.222 32.500 -0.453 0.000 1.131 224 K HN 0.691 nan 8.250 nan 0.000 0.427 225 S N 0.219 115.850 115.700 -0.116 0.000 2.596 225 S HA 0.589 5.059 4.470 -0.000 0.000 0.270 225 S C -1.188 173.482 174.600 0.117 0.000 1.155 225 S CA -0.751 57.402 58.200 -0.078 0.000 0.827 225 S CB 0.999 64.112 63.200 -0.145 0.000 1.130 225 S HN 0.681 nan 8.310 nan 0.000 0.467 226 T N 0.541 115.164 114.554 0.115 0.000 2.927 226 T HA 0.507 4.857 4.350 -0.000 0.000 0.281 226 T C 1.290 176.109 174.700 0.198 0.000 0.998 226 T CA -0.563 61.654 62.100 0.194 0.000 1.019 226 T CB 0.827 69.752 68.868 0.095 0.000 1.061 226 T HN 0.445 nan 8.240 nan 0.000 0.518 227 I N 0.588 121.291 120.570 0.223 0.000 2.361 227 I HA -0.041 4.129 4.170 -0.000 0.000 0.251 227 I C 2.443 178.704 176.117 0.240 0.000 1.133 227 I CA 1.493 62.929 61.300 0.226 0.000 1.413 227 I CB -0.623 37.531 38.000 0.257 0.000 1.073 227 I HN 0.978 nan 8.210 nan 0.000 0.424 228 E N 0.038 120.286 120.200 0.080 0.000 2.047 228 E HA -0.251 4.099 4.350 -0.000 0.000 0.191 228 E C 1.701 178.398 176.600 0.162 0.000 0.987 228 E CA 1.575 58.008 56.400 0.054 0.000 0.799 228 E CB -0.084 29.529 29.700 -0.145 0.000 0.752 228 E HN 0.446 nan 8.360 nan 0.000 0.449 229 D N 0.032 120.508 120.400 0.128 0.000 2.117 229 D HA -0.168 4.472 4.640 -0.000 0.000 0.197 229 D C 1.872 178.305 176.300 0.222 0.000 0.987 229 D CA 1.040 55.118 54.000 0.131 0.000 0.829 229 D CB -0.084 40.735 40.800 0.031 0.000 0.961 229 D HN 0.242 nan 8.370 nan 0.000 0.460 230 M N 0.332 120.078 119.600 0.243 0.000 2.175 230 M HA 0.006 4.486 4.480 -0.000 0.000 0.264 230 M C 2.254 178.747 176.300 0.321 0.000 1.063 230 M CA 0.681 56.182 55.300 0.335 0.000 1.119 230 M CB -1.082 31.694 32.600 0.293 0.000 1.377 230 M HN -0.017 nan 8.290 nan 0.000 0.415 231 A N 0.029 123.014 122.820 0.275 0.000 1.908 231 A HA -0.217 4.103 4.320 -0.000 0.000 0.218 231 A C 2.385 180.052 177.584 0.137 0.000 1.181 231 A CA 2.040 54.196 52.037 0.199 0.000 0.627 231 A CB -0.752 18.403 19.000 0.257 0.000 0.818 231 A HN 0.459 nan 8.150 nan 0.000 0.445 232 R N -1.432 119.176 120.500 0.180 0.000 2.096 232 R HA -0.172 4.168 4.340 -0.000 0.000 0.235 232 R C 2.157 178.563 176.300 0.177 0.000 1.127 232 R CA 1.551 57.737 56.100 0.143 0.000 0.968 232 R CB -0.360 30.033 30.300 0.155 0.000 0.861 232 R HN 0.848 nan 8.270 nan 0.000 0.440 233 W N 0.377 121.706 121.300 0.048 0.000 2.358 233 W HA -0.196 4.464 4.660 0.000 0.000 0.303 233 W C 1.410 177.871 176.519 -0.097 0.000 1.208 233 W CA 1.216 58.577 57.345 0.027 0.000 1.274 233 W CB -0.069 29.459 29.460 0.114 0.000 1.138 233 W HN -0.038 nan 8.180 nan 0.000 0.515 234 V N 1.404 121.243 119.914 -0.125 0.000 2.343 234 V HA -0.349 3.771 4.120 -0.000 0.000 0.247 234 V C 2.404 178.161 176.094 -0.562 0.000 1.051 234 V CA 2.286 64.305 62.300 -0.467 0.000 1.036 234 V CB -1.069 30.620 31.823 -0.225 0.000 0.654 234 V HN 0.249 nan 8.190 nan 0.000 0.451 235 Q N -0.261 119.362 119.800 -0.296 0.000 2.084 235 Q HA -0.182 4.158 4.340 -0.000 0.000 0.202 235 Q C 2.499 178.318 176.000 -0.302 0.000 0.978 235 Q CA 1.946 57.593 55.803 -0.259 0.000 0.844 235 Q CB -0.275 28.384 28.738 -0.132 0.000 0.898 235 Q HN 0.605 nan 8.270 nan 0.000 0.426 236 S N 0.866 116.392 115.700 -0.289 0.000 2.382 236 S HA -0.090 4.380 4.470 -0.000 0.000 0.228 236 S C 1.538 175.871 174.600 -0.446 0.000 1.027 236 S CA 0.970 58.999 58.200 -0.285 0.000 0.991 236 S CB -0.161 62.931 63.200 -0.179 0.000 0.823 236 S HN 0.380 nan 8.310 nan 0.000 0.469 237 N N 1.036 119.296 118.700 -0.734 0.000 2.376 237 N HA 0.139 4.879 4.740 -0.000 0.000 0.177 237 N C 1.601 176.640 175.510 -0.786 0.000 1.024 237 N CA 0.471 53.009 53.050 -0.854 0.000 0.893 237 N CB -0.136 37.592 38.487 -1.266 0.000 0.980 237 N HN 0.325 nan 8.380 nan 0.000 0.439 238 L N 0.507 121.236 121.223 -0.822 0.000 2.093 238 L HA -0.042 4.298 4.340 -0.000 0.000 0.208 238 L C 0.759 177.462 176.870 -0.278 0.000 1.085 238 L CA 1.103 55.653 54.840 -0.484 0.000 0.755 238 L CB 0.094 41.906 42.059 -0.413 0.000 0.904 238 L HN -0.084 nan 8.230 nan 0.000 0.435 239 K N -0.545 119.695 120.400 -0.268 0.000 3.029 239 K HA 0.223 4.543 4.320 -0.000 0.000 0.169 239 K C -1.975 174.532 176.600 -0.155 0.000 1.090 239 K CA -1.136 55.045 56.287 -0.177 0.000 0.883 239 K CB 1.186 33.595 32.500 -0.151 0.000 1.080 239 K HN -0.086 nan 8.250 nan 0.000 0.613 240 P HA -0.084 nan 4.420 nan 0.000 0.226 240 P C 1.115 178.369 177.300 -0.078 0.000 1.153 240 P CA 0.666 63.696 63.100 -0.117 0.000 0.777 240 P CB 0.288 31.925 31.700 -0.105 0.000 0.794 241 L N -0.570 120.609 121.223 -0.074 0.000 2.465 241 L HA -0.034 4.306 4.340 -0.000 0.000 0.224 241 L C 1.594 178.434 176.870 -0.050 0.000 1.145 241 L CA 0.906 55.713 54.840 -0.055 0.000 0.834 241 L CB -0.773 41.255 42.059 -0.053 0.000 0.944 241 L HN -0.117 nan 8.230 nan 0.000 0.451 242 D N 0.186 120.551 120.400 -0.060 0.000 2.347 242 D HA 0.115 4.755 4.640 -0.000 0.000 0.213 242 D C 0.772 177.048 176.300 -0.040 0.000 0.985 242 D CA 0.533 54.503 54.000 -0.051 0.000 0.879 242 D CB 0.180 40.944 40.800 -0.061 0.000 0.919 242 D HN 0.219 nan 8.370 nan 0.000 0.526 243 I N 1.606 122.152 120.570 -0.039 0.000 2.396 243 I HA 0.023 4.193 4.170 -0.000 0.000 0.289 243 I C 1.279 177.386 176.117 -0.016 0.000 1.056 243 I CA -0.349 60.938 61.300 -0.023 0.000 1.365 243 I CB 0.927 38.916 38.000 -0.019 0.000 1.407 243 I HN -0.195 nan 8.210 nan 0.000 0.509 244 N N 4.060 122.753 118.700 -0.011 0.000 2.270 244 N HA -0.080 4.660 4.740 -0.000 0.000 0.181 244 N C 0.148 175.653 175.510 -0.008 0.000 1.016 244 N CA 0.773 53.817 53.050 -0.010 0.000 0.870 244 N CB -0.003 38.478 38.487 -0.010 0.000 0.979 244 N HN 0.559 nan 8.380 nan 0.000 0.431 245 E N 1.232 121.429 120.200 -0.004 0.000 2.220 245 E HA 0.051 4.401 4.350 -0.000 0.000 0.272 245 E C 0.800 177.399 176.600 -0.002 0.000 1.099 245 E CA 0.109 56.508 56.400 -0.003 0.000 0.907 245 E CB 0.686 30.387 29.700 0.001 0.000 1.022 245 E HN 0.170 nan 8.360 nan 0.000 0.428 246 K N 1.171 121.568 120.400 -0.004 0.000 2.026 246 K HA -0.170 4.150 4.320 -0.000 0.000 0.208 246 K C 1.957 178.558 176.600 0.001 0.000 1.048 246 K CA 1.840 58.124 56.287 -0.004 0.000 0.929 246 K CB -0.205 32.292 32.500 -0.005 0.000 0.713 246 K HN 0.589 nan 8.250 nan 0.000 0.439 247 T N -0.045 114.510 114.554 0.002 0.000 2.915 247 T HA -0.069 4.281 4.350 -0.000 0.000 0.269 247 T C 1.826 176.536 174.700 0.017 0.000 1.071 247 T CA 0.674 62.778 62.100 0.007 0.000 1.132 247 T CB -0.159 68.709 68.868 0.001 0.000 0.878 247 T HN 0.030 nan 8.240 nan 0.000 0.479 248 L N 1.238 122.471 121.223 0.017 0.000 2.072 248 L HA 0.112 4.452 4.340 -0.000 0.000 0.205 248 L C 2.827 179.715 176.870 0.030 0.000 1.079 248 L CA 1.808 56.669 54.840 0.035 0.000 0.752 248 L CB -1.082 41.001 42.059 0.039 0.000 0.906 248 L HN 0.393 nan 8.230 nan 0.000 0.436 249 Q N -0.768 119.038 119.800 0.011 0.000 2.045 249 Q HA -0.332 4.008 4.340 -0.000 0.000 0.206 249 Q C 2.312 178.313 176.000 0.003 0.000 0.991 249 Q CA 2.513 58.313 55.803 -0.004 0.000 0.851 249 Q CB -0.303 28.427 28.738 -0.013 0.000 0.911 249 Q HN 0.704 nan 8.270 nan 0.000 0.418 250 Q N -0.822 118.986 119.800 0.012 0.000 2.050 250 Q HA -0.143 4.197 4.340 -0.000 0.000 0.202 250 Q C 2.012 178.039 176.000 0.044 0.000 0.980 250 Q CA 1.508 57.324 55.803 0.021 0.000 0.840 250 Q CB -0.403 28.348 28.738 0.022 0.000 0.898 250 Q HN 0.579 nan 8.270 nan 0.000 0.424 251 G N 1.029 109.862 108.800 0.055 0.000 2.469 251 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.219 251 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.219 251 G C 1.374 176.340 174.900 0.110 0.000 1.150 251 G CA 1.071 46.224 45.100 0.089 0.000 0.763 251 G HN 0.371 nan 8.290 nan 0.000 0.561 252 I N 0.273 120.889 120.570 0.076 0.000 2.226 252 I HA -0.228 3.942 4.170 -0.000 0.000 0.245 252 I C 3.071 179.222 176.117 0.057 0.000 1.100 252 I CA 1.315 62.649 61.300 0.057 0.000 1.374 252 I CB -0.272 37.702 38.000 -0.043 0.000 1.057 252 I HN 0.242 nan 8.210 nan 0.000 0.413 253 Q N 0.374 120.192 119.800 0.029 0.000 2.096 253 Q HA -0.194 4.146 4.340 -0.000 0.000 0.204 253 Q C 2.362 178.398 176.000 0.060 0.000 0.982 253 Q CA 1.421 57.236 55.803 0.020 0.000 0.850 253 Q CB -0.186 28.552 28.738 -0.000 0.000 0.901 253 Q HN 0.525 nan 8.270 nan 0.000 0.422 254 L N -0.039 121.244 121.223 0.099 0.000 2.141 254 L HA -0.135 4.205 4.340 -0.000 0.000 0.209 254 L C 2.373 179.398 176.870 0.259 0.000 1.094 254 L CA 0.781 55.717 54.840 0.161 0.000 0.763 254 L CB -0.456 41.706 42.059 0.171 0.000 0.908 254 L HN 0.207 nan 8.230 nan 0.000 0.437 255 A N -0.844 122.127 122.820 0.252 0.000 2.066 255 A HA -0.148 4.172 4.320 -0.000 0.000 0.218 255 A C 2.026 179.842 177.584 0.386 0.000 1.157 255 A CA 1.003 53.246 52.037 0.344 0.000 0.670 255 A CB -0.186 19.049 19.000 0.392 0.000 0.804 255 A HN 0.478 nan 8.150 nan 0.000 0.453 256 Q N 0.060 120.003 119.800 0.237 0.000 2.247 256 Q HA 0.196 4.536 4.340 -0.000 0.000 0.204 256 Q C -0.171 175.855 176.000 0.044 0.000 0.872 256 Q CA -0.331 55.554 55.803 0.137 0.000 0.951 256 Q CB 0.466 29.209 28.738 0.008 0.000 1.099 256 Q HN 0.484 nan 8.270 nan 0.000 0.501 257 S N 1.105 116.815 115.700 0.016 0.000 2.579 257 S HA 0.182 4.652 4.470 -0.000 0.000 0.275 257 S C 0.092 174.497 174.600 -0.325 0.000 1.345 257 S CA -0.075 57.979 58.200 -0.243 0.000 1.031 257 S CB 0.539 63.464 63.200 -0.460 0.000 0.892 257 S HN 0.240 nan 8.310 nan 0.000 0.529 258 R N 1.609 121.887 120.500 -0.370 0.000 2.204 258 R HA 0.235 4.575 4.340 -0.000 0.000 0.341 258 R C -0.326 175.786 176.300 -0.314 0.000 1.035 258 R CA -0.133 55.855 56.100 -0.187 0.000 0.887 258 R CB 0.359 30.530 30.300 -0.215 0.000 1.114 258 R HN 0.692 nan 8.270 nan 0.000 0.473 259 Y N 0.698 121.001 120.300 0.006 0.000 2.389 259 Y HA 0.121 4.671 4.550 0.000 0.000 0.292 259 Y C 0.185 175.761 175.900 -0.540 0.000 1.117 259 Y CA 0.421 58.358 58.100 -0.272 0.000 1.195 259 Y CB 0.522 38.828 38.460 -0.255 0.000 1.076 259 Y HN 0.461 nan 8.280 nan 0.000 0.548 260 W N -0.180 121.290 121.300 0.283 0.000 3.107 260 W HA 0.554 5.215 4.660 0.000 0.000 0.331 260 W C -0.867 175.770 176.519 0.196 0.000 1.204 260 W CA -0.969 56.500 57.345 0.207 0.000 1.184 260 W CB 1.175 30.741 29.460 0.177 0.000 1.421 260 W HN -0.451 nan 8.180 nan 0.000 0.544 261 Q N 1.478 121.489 119.800 0.351 0.000 2.340 261 Q HA 0.625 4.965 4.340 -0.000 0.000 0.268 261 Q C -1.155 174.876 176.000 0.053 0.000 1.031 261 Q CA -0.451 55.398 55.803 0.076 0.000 0.804 261 Q CB 2.350 31.079 28.738 -0.015 0.000 1.286 261 Q HN 0.446 nan 8.270 nan 0.000 0.448 262 T N 2.553 117.084 114.554 -0.038 0.000 2.881 262 T HA 0.630 4.980 4.350 -0.000 0.000 0.291 262 T C 0.379 175.022 174.700 -0.095 0.000 0.990 262 T CA 0.731 62.807 62.100 -0.041 0.000 0.976 262 T CB 0.788 69.648 68.868 -0.012 0.000 0.970 262 T HN 1.026 nan 8.240 nan 0.000 0.438 263 G N 5.469 114.215 108.800 -0.090 0.000 2.583 263 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.292 263 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.292 263 G C 0.349 175.156 174.900 -0.155 0.000 1.203 263 G CA 0.770 45.812 45.100 -0.097 0.000 0.987 263 G HN 1.016 nan 8.290 nan 0.000 0.554 264 D N 0.229 120.544 120.400 -0.141 0.000 2.328 264 D HA 0.282 4.922 4.640 -0.000 0.000 0.221 264 D C 1.128 177.296 176.300 -0.221 0.000 1.072 264 D CA 0.448 54.352 54.000 -0.160 0.000 0.850 264 D CB 0.089 40.837 40.800 -0.086 0.000 0.922 264 D HN 0.558 nan 8.370 nan 0.000 0.516 265 M N 0.571 120.022 119.600 -0.250 0.000 2.537 265 M HA 0.436 4.916 4.480 -0.000 0.000 0.324 265 M C -1.693 174.415 176.300 -0.320 0.000 1.187 265 M CA -0.654 54.568 55.300 -0.131 0.000 0.993 265 M CB 1.800 34.430 32.600 0.051 0.000 1.666 265 M HN -0.179 nan 8.290 nan 0.000 0.461 266 Y N 1.374 121.784 120.300 0.182 0.000 2.425 266 Y HA 0.394 4.944 4.550 0.000 0.000 0.344 266 Y C -0.445 175.615 175.900 0.267 0.000 0.969 266 Y CA -0.709 57.511 58.100 0.200 0.000 1.052 266 Y CB 1.741 40.285 38.460 0.140 0.000 1.215 266 Y HN 0.561 nan 8.280 nan 0.000 0.451 267 Q N 1.718 121.801 119.800 0.472 0.000 2.278 267 Q HA 0.616 4.956 4.340 -0.000 0.000 0.257 267 Q C -0.058 176.239 176.000 0.495 0.000 0.928 267 Q CA -0.259 55.823 55.803 0.464 0.000 0.932 267 Q CB 1.359 30.386 28.738 0.483 0.000 1.221 267 Q HN 0.896 nan 8.270 nan 0.000 0.434 268 G N 2.765 111.833 108.800 0.447 0.000 2.782 268 G HA2 0.479 4.439 3.960 -0.000 0.000 0.201 268 G HA3 0.479 4.439 3.960 -0.000 0.000 0.201 268 G C -0.918 174.169 174.900 0.311 0.000 1.374 268 G CA -0.817 44.573 45.100 0.483 0.000 1.039 268 G HN 0.590 nan 8.290 nan 0.000 0.576 269 L N 1.113 122.492 121.223 0.260 0.000 2.270 269 L HA 0.461 4.801 4.340 -0.000 0.000 0.286 269 L C 1.355 178.284 176.870 0.099 0.000 1.059 269 L CA 0.391 55.257 54.840 0.042 0.000 0.839 269 L CB 0.515 42.587 42.059 0.021 0.000 1.221 269 L HN 1.034 nan 8.230 nan 0.000 0.431 270 G N 2.036 110.863 108.800 0.044 0.000 4.039 270 G HA2 -0.306 3.653 3.960 -0.000 0.000 0.220 270 G HA3 -0.306 3.653 3.960 -0.000 0.000 0.220 270 G C 0.031 174.992 174.900 0.102 0.000 1.391 270 G CA -0.190 44.931 45.100 0.036 0.000 0.920 270 G HN 0.518 nan 8.290 nan 0.000 0.599 271 W N 2.508 123.950 121.300 0.236 0.000 2.170 271 W HA 0.544 5.204 4.660 -0.000 0.000 0.342 271 W C 0.842 177.517 176.519 0.261 0.000 1.294 271 W CA -0.161 57.320 57.345 0.228 0.000 1.246 271 W CB 0.376 29.944 29.460 0.180 0.000 1.156 271 W HN 0.342 nan 8.180 nan 0.000 0.572 272 E N 1.799 122.356 120.200 0.594 0.000 2.227 272 E HA 0.617 4.967 4.350 -0.000 0.000 0.268 272 E C -0.821 176.080 176.600 0.501 0.000 0.907 272 E CA -1.153 55.558 56.400 0.519 0.000 0.786 272 E CB 1.788 31.787 29.700 0.499 0.000 1.191 272 E HN 0.199 nan 8.360 nan 0.000 0.411 273 M N 1.835 121.681 119.600 0.410 0.000 2.484 273 M HA 0.469 4.949 4.480 -0.000 0.000 0.289 273 M C -1.644 174.881 176.300 0.374 0.000 1.206 273 M CA -0.343 55.139 55.300 0.303 0.000 0.892 273 M CB 1.856 34.578 32.600 0.203 0.000 1.712 273 M HN 0.308 nan 8.290 nan 0.000 0.462 274 L N 0.393 121.803 121.223 0.313 0.000 2.393 274 L HA 0.555 4.895 4.340 -0.000 0.000 0.260 274 L C -0.791 176.251 176.870 0.287 0.000 1.002 274 L CA -0.730 54.300 54.840 0.317 0.000 0.818 274 L CB 1.888 44.043 42.059 0.160 0.000 1.369 274 L HN 0.544 nan 8.230 nan 0.000 0.412 275 D N 0.807 121.367 120.400 0.268 0.000 2.443 275 D HA -0.041 4.599 4.640 -0.000 0.000 0.239 275 D C -0.910 175.520 176.300 0.216 0.000 1.136 275 D CA 0.233 54.351 54.000 0.196 0.000 0.879 275 D CB 1.118 42.003 40.800 0.141 0.000 1.195 275 D HN 0.361 nan 8.370 nan 0.000 0.443 276 W N 4.689 126.048 121.300 0.097 0.000 2.390 276 W HA 0.259 4.918 4.660 -0.000 0.000 0.312 276 W C -2.304 174.267 176.519 0.086 0.000 1.123 276 W CA -1.822 55.597 57.345 0.123 0.000 1.202 276 W CB 1.134 30.677 29.460 0.139 0.000 1.251 276 W HN 0.224 nan 8.180 nan 0.000 0.511 277 P HA 0.137 nan 4.420 nan 0.000 0.275 277 P C -0.903 176.021 177.300 -0.627 0.000 1.227 277 P CA -0.151 62.102 63.100 -1.411 0.000 0.781 277 P CB 2.308 33.420 31.700 -0.980 0.000 0.906 278 V N 2.670 122.243 119.914 -0.568 0.000 2.713 278 V HA 0.242 4.362 4.120 -0.000 0.000 0.307 278 V C 0.332 176.141 176.094 -0.474 0.000 1.052 278 V CA -0.792 61.300 62.300 -0.346 0.000 0.967 278 V CB 1.458 33.114 31.823 -0.278 0.000 1.019 278 V HN 0.640 nan 8.190 nan 0.000 0.459 279 N N 6.386 124.836 118.700 -0.417 0.000 2.411 279 N HA 0.299 5.039 4.740 -0.000 0.000 0.259 279 N C -1.516 173.604 175.510 -0.649 0.000 1.103 279 N CA -1.918 50.860 53.050 -0.452 0.000 0.954 279 N CB 1.559 39.868 38.487 -0.296 0.000 1.085 279 N HN 0.335 nan 8.380 nan 0.000 0.485 280 P HA -0.107 nan 4.420 nan 0.000 0.217 280 P C 0.310 177.232 177.300 -0.630 0.000 1.150 280 P CA 1.097 63.489 63.100 -1.180 0.000 0.832 280 P CB 0.471 31.111 31.700 -1.767 0.000 0.787 281 D N -0.428 119.705 120.400 -0.444 0.000 2.178 281 D HA -0.106 4.534 4.640 -0.000 0.000 0.201 281 D C 2.178 178.338 176.300 -0.232 0.000 0.980 281 D CA 0.991 54.825 54.000 -0.277 0.000 0.842 281 D CB -0.494 40.184 40.800 -0.202 0.000 0.948 281 D HN 0.137 nan 8.370 nan 0.000 0.472 282 S N 0.721 116.268 115.700 -0.255 0.000 2.353 282 S HA -0.140 4.330 4.470 -0.000 0.000 0.222 282 S C 2.227 176.725 174.600 -0.171 0.000 1.035 282 S CA 1.238 59.320 58.200 -0.196 0.000 1.025 282 S CB -0.261 62.821 63.200 -0.196 0.000 0.902 282 S HN 0.395 nan 8.310 nan 0.000 0.440 283 I N -0.740 119.685 120.570 -0.242 0.000 2.315 283 I HA -0.060 4.110 4.170 -0.000 0.000 0.248 283 I C 2.076 178.145 176.117 -0.080 0.000 1.117 283 I CA 1.336 62.553 61.300 -0.139 0.000 1.404 283 I CB -0.572 37.269 38.000 -0.266 0.000 1.071 283 I HN 0.262 nan 8.210 nan 0.000 0.419 284 I N 1.916 122.389 120.570 -0.161 0.000 2.133 284 I HA -0.220 3.950 4.170 -0.000 0.000 0.238 284 I C 2.365 178.428 176.117 -0.090 0.000 1.074 284 I CA 1.439 62.668 61.300 -0.117 0.000 1.342 284 I CB -0.698 37.218 38.000 -0.139 0.000 1.053 284 I HN 0.270 nan 8.210 nan 0.000 0.404 285 N N 1.237 119.878 118.700 -0.099 0.000 2.166 285 N HA -0.122 4.618 4.740 -0.000 0.000 0.186 285 N C 1.857 177.330 175.510 -0.061 0.000 1.019 285 N CA 1.614 54.618 53.050 -0.077 0.000 0.856 285 N CB -0.771 37.668 38.487 -0.080 0.000 0.993 285 N HN 0.429 nan 8.380 nan 0.000 0.426 286 G N 0.111 108.878 108.800 -0.054 0.000 2.509 286 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.218 286 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.218 286 G C 1.546 176.434 174.900 -0.019 0.000 1.124 286 G CA 1.098 46.181 45.100 -0.029 0.000 0.776 286 G HN 0.503 nan 8.290 nan 0.000 0.547 287 S N -0.497 115.187 115.700 -0.027 0.000 2.501 287 S HA 0.037 4.507 4.470 -0.000 0.000 0.220 287 S C 0.756 175.309 174.600 -0.079 0.000 0.997 287 S CA -0.105 58.067 58.200 -0.047 0.000 0.919 287 S CB 0.040 63.206 63.200 -0.056 0.000 0.778 287 S HN 0.265 nan 8.310 nan 0.000 0.523 288 D N 2.186 122.545 120.400 -0.068 0.000 2.493 288 D HA 0.047 4.686 4.640 -0.000 0.000 0.240 288 D C 0.345 176.603 176.300 -0.070 0.000 1.142 288 D CA 0.096 54.057 54.000 -0.065 0.000 0.872 288 D CB 0.498 41.267 40.800 -0.051 0.000 1.173 288 D HN 0.095 nan 8.370 nan 0.000 0.467 289 N N 3.099 121.755 118.700 -0.072 0.000 2.430 289 N HA -0.192 4.548 4.740 -0.000 0.000 0.186 289 N C 1.612 177.092 175.510 -0.050 0.000 1.032 289 N CA 0.702 53.707 53.050 -0.075 0.000 0.893 289 N CB -0.111 38.337 38.487 -0.066 0.000 0.957 289 N HN 0.647 nan 8.380 nan 0.000 0.442 290 K N 0.306 120.684 120.400 -0.037 0.000 2.209 290 K HA -0.037 4.283 4.320 -0.000 0.000 0.204 290 K C 1.662 178.247 176.600 -0.026 0.000 1.048 290 K CA 1.004 57.276 56.287 -0.024 0.000 0.940 290 K CB -0.016 32.472 32.500 -0.020 0.000 0.729 290 K HN 0.168 nan 8.250 nan 0.000 0.451 291 I N 0.888 121.436 120.570 -0.038 0.000 2.729 291 I HA 0.009 4.179 4.170 -0.000 0.000 0.256 291 I C 2.527 178.615 176.117 -0.047 0.000 1.115 291 I CA 0.539 61.816 61.300 -0.038 0.000 1.446 291 I CB -0.148 37.828 38.000 -0.039 0.000 1.176 291 I HN 0.213 nan 8.210 nan 0.000 0.446 292 A N 0.994 123.770 122.820 -0.074 0.000 2.019 292 A HA -0.084 4.236 4.320 -0.000 0.000 0.219 292 A C 2.073 179.574 177.584 -0.139 0.000 1.164 292 A CA 1.330 53.293 52.037 -0.122 0.000 0.644 292 A CB -0.586 18.303 19.000 -0.184 0.000 0.805 292 A HN 0.431 nan 8.150 nan 0.000 0.449 293 L N -1.056 120.116 121.223 -0.085 0.000 2.607 293 L HA 0.274 4.613 4.340 -0.000 0.000 0.228 293 L C 1.084 177.972 176.870 0.031 0.000 1.123 293 L CA -0.110 54.721 54.840 -0.016 0.000 0.890 293 L CB -0.235 41.824 42.059 -0.001 0.000 1.103 293 L HN 0.359 nan 8.230 nan 0.000 0.468 294 A N 0.700 123.525 122.820 0.009 0.000 2.302 294 A HA 0.686 5.006 4.320 -0.000 0.000 0.285 294 A C 0.426 178.014 177.584 0.006 0.000 1.105 294 A CA -0.243 51.807 52.037 0.022 0.000 0.816 294 A CB 0.548 19.549 19.000 0.002 0.000 1.067 294 A HN 0.188 nan 8.150 nan 0.000 0.489 295 A N 2.176 124.999 122.820 0.005 0.000 2.477 295 A HA 0.554 4.874 4.320 -0.000 0.000 0.246 295 A C 0.352 177.832 177.584 -0.174 0.000 1.078 295 A CA -0.028 51.933 52.037 -0.126 0.000 0.770 295 A CB 0.083 18.928 19.000 -0.258 0.000 1.011 295 A HN 0.734 nan 8.150 nan 0.000 0.494 296 R N 2.227 122.601 120.500 -0.209 0.000 2.673 296 R HA 0.472 4.812 4.340 -0.000 0.000 0.281 296 R C -3.146 173.019 176.300 -0.225 0.000 0.991 296 R CA -2.096 53.900 56.100 -0.175 0.000 0.896 296 R CB 1.912 32.157 30.300 -0.092 0.000 1.201 296 R HN 0.510 nan 8.270 nan 0.000 0.457 297 P HA 0.084 nan 4.420 nan 0.000 0.271 297 P C -0.177 177.067 177.300 -0.093 0.000 1.216 297 P CA -0.234 62.760 63.100 -0.176 0.000 0.776 297 P CB 0.823 32.447 31.700 -0.127 0.000 0.881 298 V N 0.084 119.955 119.914 -0.071 0.000 2.715 298 V HA 0.585 4.705 4.120 -0.000 0.000 0.310 298 V C -0.155 176.064 176.094 0.207 0.000 1.054 298 V CA -1.131 61.209 62.300 0.068 0.000 0.928 298 V CB 2.063 33.903 31.823 0.028 0.000 1.007 298 V HN 0.438 nan 8.190 nan 0.000 0.437 299 K N 2.847 123.412 120.400 0.276 0.000 2.213 299 K HA 0.752 5.072 4.320 -0.000 0.000 0.270 299 K C 0.114 176.942 176.600 0.380 0.000 1.002 299 K CA -0.326 56.123 56.287 0.270 0.000 0.868 299 K CB 1.502 34.093 32.500 0.151 0.000 1.093 299 K HN 1.193 nan 8.250 nan 0.000 0.454 300 A N 5.150 128.166 122.820 0.327 0.000 2.511 300 A HA 0.199 4.519 4.320 -0.000 0.000 0.242 300 A C -0.017 177.510 177.584 -0.095 0.000 1.069 300 A CA -0.051 51.923 52.037 -0.104 0.000 0.763 300 A CB -0.139 18.765 19.000 -0.160 0.000 1.001 300 A HN 0.799 nan 8.150 nan 0.000 0.498 301 I N 2.630 123.074 120.570 -0.211 0.000 2.306 301 I HA 0.221 4.391 4.170 -0.000 0.000 0.288 301 I C -0.195 175.826 176.117 -0.161 0.000 1.036 301 I CA 0.118 61.348 61.300 -0.117 0.000 1.221 301 I CB 1.223 39.174 38.000 -0.081 0.000 1.385 301 I HN 0.528 nan 8.210 nan 0.000 0.472 302 T N 6.472 120.966 114.554 -0.100 0.000 2.912 302 T HA 0.408 4.758 4.350 -0.000 0.000 0.326 302 T C -1.770 172.893 174.700 -0.061 0.000 1.080 302 T CA -0.955 61.093 62.100 -0.087 0.000 1.000 302 T CB 0.840 69.675 68.868 -0.055 0.000 1.008 302 T HN 0.444 nan 8.240 nan 0.000 0.473 303 P HA 0.528 nan 4.420 nan 0.000 0.279 303 P C -3.031 174.184 177.300 -0.142 0.000 1.276 303 P CA -2.067 60.978 63.100 -0.092 0.000 0.801 303 P CB -0.058 31.602 31.700 -0.068 0.000 1.127 304 P HA 0.076 nan 4.420 nan 0.000 0.265 304 P C -0.322 176.812 177.300 -0.277 0.000 1.193 304 P CA 0.370 63.266 63.100 -0.340 0.000 0.765 304 P CB -0.067 31.260 31.700 -0.622 0.000 0.823 305 T N 5.801 120.194 114.554 -0.267 0.000 2.870 305 T HA 0.210 4.560 4.350 -0.000 0.000 0.300 305 T C -2.065 172.499 174.700 -0.226 0.000 0.989 305 T CA -0.899 61.072 62.100 -0.215 0.000 1.139 305 T CB -0.264 68.472 68.868 -0.220 0.000 0.920 305 T HN 0.284 nan 8.240 nan 0.000 0.537 306 P HA 0.225 nan 4.420 nan 0.000 0.270 306 P C -0.550 176.672 177.300 -0.130 0.000 1.223 306 P CA -0.549 62.470 63.100 -0.135 0.000 0.785 306 P CB 0.294 31.939 31.700 -0.093 0.000 0.923 307 A N 1.955 124.714 122.820 -0.102 0.000 2.573 307 A HA 0.075 4.395 4.320 -0.000 0.000 0.250 307 A C 0.138 177.667 177.584 -0.091 0.000 1.049 307 A CA 0.239 52.222 52.037 -0.090 0.000 0.767 307 A CB -0.862 18.101 19.000 -0.062 0.000 0.965 307 A HN 0.363 nan 8.150 nan 0.000 0.514 308 V N 6.307 126.159 119.914 -0.103 0.000 2.385 308 V HA 0.122 4.242 4.120 -0.000 0.000 0.269 308 V C 1.496 177.552 176.094 -0.063 0.000 1.043 308 V CA -0.500 61.747 62.300 -0.088 0.000 0.906 308 V CB 0.871 32.626 31.823 -0.113 0.000 0.995 308 V HN 1.030 nan 8.190 nan 0.000 0.467 309 R N 3.874 124.344 120.500 -0.049 0.000 2.081 309 R HA -0.046 4.294 4.340 -0.000 0.000 0.235 309 R C 1.379 177.664 176.300 -0.025 0.000 1.131 309 R CA 1.348 57.421 56.100 -0.045 0.000 0.960 309 R CB -0.295 29.979 30.300 -0.043 0.000 0.856 309 R HN 0.719 nan 8.270 nan 0.000 0.436 310 A N 2.037 124.870 122.820 0.022 0.000 3.051 310 A HA 0.227 4.547 4.320 -0.000 0.000 0.257 310 A C -0.397 177.291 177.584 0.173 0.000 1.785 310 A CA 0.084 52.190 52.037 0.115 0.000 1.420 310 A CB -0.133 18.963 19.000 0.160 0.000 1.063 310 A HN 0.055 nan 8.150 nan 0.000 0.630 311 S N 0.432 116.195 115.700 0.106 0.000 2.542 311 S HA 0.475 4.945 4.470 -0.000 0.000 0.293 311 S C -0.810 173.869 174.600 0.133 0.000 1.089 311 S CA -0.586 57.691 58.200 0.129 0.000 0.961 311 S CB 1.117 64.310 63.200 -0.012 0.000 1.062 311 S HN 0.681 nan 8.310 nan 0.000 0.483 312 W N 4.202 125.541 121.300 0.065 0.000 2.387 312 W HA 0.513 5.173 4.660 -0.000 0.000 0.310 312 W C -1.724 174.651 176.519 -0.241 0.000 1.181 312 W CA -0.401 56.915 57.345 -0.049 0.000 1.333 312 W CB 0.459 29.983 29.460 0.107 0.000 1.286 312 W HN 0.323 nan 8.180 nan 0.000 0.455 313 V N 7.536 126.997 119.914 -0.756 0.000 2.459 313 V HA 0.427 4.547 4.120 -0.000 0.000 0.295 313 V C -0.089 175.598 176.094 -0.679 0.000 1.029 313 V CA -0.435 61.408 62.300 -0.763 0.000 0.874 313 V CB 1.434 32.349 31.823 -1.513 0.000 0.985 313 V HN 0.664 nan 8.190 nan 0.000 0.438 314 H N 2.433 121.445 119.070 -0.095 0.000 2.981 314 H HA 0.901 5.457 4.556 -0.000 0.000 0.327 314 H C -1.317 174.284 175.328 0.455 0.000 1.342 314 H CA -1.265 54.857 56.048 0.123 0.000 1.123 314 H CB 2.262 32.130 29.762 0.176 0.000 1.851 314 H HN 0.445 nan 8.280 nan 0.000 0.531 315 K N 1.149 121.693 120.400 0.240 0.000 2.570 315 K HA 0.270 4.590 4.320 -0.000 0.000 0.256 315 K C -1.346 175.376 176.600 0.203 0.000 0.939 315 K CA -0.110 56.258 56.287 0.134 0.000 0.833 315 K CB 2.195 34.763 32.500 0.113 0.000 1.318 315 K HN 0.914 nan 8.250 nan 0.000 0.433 316 T N -0.171 114.504 114.554 0.200 0.000 2.918 316 T HA 0.861 5.211 4.350 -0.000 0.000 0.283 316 T C 0.288 175.080 174.700 0.153 0.000 1.001 316 T CA -0.524 61.728 62.100 0.253 0.000 1.041 316 T CB 1.607 70.531 68.868 0.093 0.000 1.028 316 T HN 0.618 nan 8.240 nan 0.000 0.511 317 G N -0.547 108.347 108.800 0.157 0.000 2.706 317 G HA2 0.751 4.711 3.960 -0.000 0.000 0.297 317 G HA3 0.751 4.711 3.960 -0.000 0.000 0.297 317 G C -1.498 173.485 174.900 0.138 0.000 1.403 317 G CA -0.616 44.575 45.100 0.152 0.000 0.954 317 G HN 1.141 nan 8.290 nan 0.000 0.500 318 A N 0.530 123.428 122.820 0.131 0.000 2.594 318 A HA 0.972 5.292 4.320 -0.000 0.000 0.295 318 A C -0.009 177.660 177.584 0.142 0.000 1.071 318 A CA 0.068 52.191 52.037 0.144 0.000 0.685 318 A CB 1.668 20.716 19.000 0.081 0.000 1.285 318 A HN 1.823 nan 8.150 nan 0.000 0.405 319 T N -1.987 112.694 114.554 0.213 0.000 2.773 319 T HA 0.635 4.985 4.350 -0.000 0.000 0.278 319 T C 1.368 176.182 174.700 0.190 0.000 1.011 319 T CA 0.165 62.371 62.100 0.178 0.000 1.014 319 T CB 0.967 69.988 68.868 0.254 0.000 1.293 319 T HN 1.585 nan 8.240 nan 0.000 0.554 320 G N -0.141 108.754 108.800 0.158 0.000 2.469 320 G HA2 0.068 4.028 3.960 -0.000 0.000 0.219 320 G HA3 0.068 4.028 3.960 -0.000 0.000 0.219 320 G C 1.226 176.215 174.900 0.149 0.000 1.150 320 G CA 0.741 45.918 45.100 0.128 0.000 0.763 320 G HN 1.160 nan 8.290 nan 0.000 0.561 321 G N -1.456 107.475 108.800 0.218 0.000 3.159 321 G HA2 0.470 4.430 3.960 -0.000 0.000 0.232 321 G HA3 0.470 4.430 3.960 -0.000 0.000 0.232 321 G C -0.322 174.540 174.900 -0.063 0.000 1.116 321 G CA -0.451 44.689 45.100 0.068 0.000 0.767 321 G HN 0.218 nan 8.290 nan 0.000 0.547 322 F N -0.683 119.396 119.950 0.215 0.000 2.599 322 F HA 0.694 5.221 4.527 -0.000 0.000 0.311 322 F C 0.280 176.215 175.800 0.225 0.000 1.076 322 F CA -1.055 57.110 58.000 0.274 0.000 0.937 322 F CB 2.436 41.621 39.000 0.308 0.000 1.282 322 F HN 0.011 nan 8.300 nan 0.000 0.460 323 G N 0.754 109.826 108.800 0.452 0.000 2.707 323 G HA2 0.588 4.548 3.960 -0.000 0.000 0.299 323 G HA3 0.588 4.548 3.960 -0.000 0.000 0.299 323 G C -1.668 173.400 174.900 0.280 0.000 1.442 323 G CA -0.609 44.642 45.100 0.251 0.000 1.009 323 G HN 0.557 nan 8.290 nan 0.000 0.515 324 S N 0.134 115.967 115.700 0.221 0.000 2.599 324 S HA 0.807 5.277 4.470 -0.000 0.000 0.294 324 S C -1.714 173.069 174.600 0.304 0.000 1.094 324 S CA -0.609 57.741 58.200 0.250 0.000 0.931 324 S CB 2.008 65.352 63.200 0.239 0.000 1.093 324 S HN 0.672 nan 8.310 nan 0.000 0.488 325 Y N 0.601 121.000 120.300 0.165 0.000 2.480 325 Y HA 0.597 5.147 4.550 -0.000 0.000 0.329 325 Y C -1.869 174.178 175.900 0.246 0.000 1.127 325 Y CA -0.760 57.453 58.100 0.189 0.000 1.037 325 Y CB 1.033 39.602 38.460 0.183 0.000 1.320 325 Y HN 0.478 nan 8.280 nan 0.000 0.446 326 V N 4.310 124.039 119.914 -0.308 0.000 2.686 326 V HA 0.966 5.086 4.120 -0.000 0.000 0.306 326 V C -0.923 174.936 176.094 -0.392 0.000 1.065 326 V CA -0.307 61.918 62.300 -0.124 0.000 0.894 326 V CB 1.552 33.552 31.823 0.295 0.000 1.004 326 V HN 1.006 nan 8.190 nan 0.000 0.424 327 A N 4.682 127.300 122.820 -0.337 0.000 2.520 327 A HA 1.036 5.356 4.320 -0.000 0.000 0.298 327 A C -1.296 176.009 177.584 -0.466 0.000 1.051 327 A CA -0.498 51.204 52.037 -0.558 0.000 0.690 327 A CB 1.768 20.342 19.000 -0.710 0.000 1.281 327 A HN 1.410 nan 8.150 nan 0.000 0.402 328 F N -0.658 118.845 119.950 -0.745 0.000 2.686 328 F HA 0.841 5.368 4.527 -0.000 0.000 0.311 328 F C -1.334 174.108 175.800 -0.596 0.000 1.128 328 F CA -1.352 56.284 58.000 -0.606 0.000 0.946 328 F CB 1.312 40.023 39.000 -0.482 0.000 1.336 328 F HN 0.309 nan 8.300 nan 0.000 0.457 329 I N 2.175 122.561 120.570 -0.308 0.000 2.466 329 I HA 0.321 4.491 4.170 -0.000 0.000 0.279 329 I C -2.147 173.863 176.117 -0.179 0.000 1.033 329 I CA -1.860 59.238 61.300 -0.336 0.000 1.123 329 I CB 1.802 39.477 38.000 -0.542 0.000 1.237 329 I HN 0.358 nan 8.210 nan 0.000 0.460 330 P HA -0.222 nan 4.420 nan 0.000 0.216 330 P C 1.296 178.529 177.300 -0.112 0.000 1.153 330 P CA 1.426 64.487 63.100 -0.065 0.000 0.858 330 P CB 0.164 31.837 31.700 -0.045 0.000 0.789 331 E N 0.023 120.151 120.200 -0.119 0.000 2.268 331 E HA -0.143 4.207 4.350 -0.000 0.000 0.195 331 E C 1.385 177.904 176.600 -0.134 0.000 0.995 331 E CA 0.952 57.291 56.400 -0.103 0.000 0.836 331 E CB -0.592 29.073 29.700 -0.058 0.000 0.763 331 E HN 0.151 nan 8.360 nan 0.000 0.491 332 K N 0.602 120.882 120.400 -0.199 0.000 2.404 332 K HA 0.039 4.359 4.320 -0.000 0.000 0.194 332 K C -0.238 176.240 176.600 -0.202 0.000 1.023 332 K CA 0.535 56.694 56.287 -0.213 0.000 1.094 332 K CB 0.322 32.643 32.500 -0.298 0.000 0.841 332 K HN 0.217 nan 8.250 nan 0.000 0.523 333 E N 0.581 120.674 120.200 -0.178 0.000 2.476 333 E HA -0.218 4.132 4.350 -0.000 0.000 0.251 333 E C -0.688 175.813 176.600 -0.164 0.000 1.130 333 E CA 0.226 56.523 56.400 -0.171 0.000 0.736 333 E CB -1.561 28.032 29.700 -0.178 0.000 1.298 333 E HN 0.068 nan 8.360 nan 0.000 0.400 334 L N -0.252 120.878 121.223 -0.155 0.000 2.386 334 L HA 0.823 5.163 4.340 -0.000 0.000 0.271 334 L C 0.151 176.961 176.870 -0.100 0.000 0.993 334 L CA 0.229 55.002 54.840 -0.112 0.000 0.819 334 L CB 2.049 44.020 42.059 -0.146 0.000 1.294 334 L HN 0.089 nan 8.230 nan 0.000 0.414 335 G N 4.050 112.822 108.800 -0.047 0.000 2.608 335 G HA2 0.627 4.587 3.960 -0.000 0.000 0.291 335 G HA3 0.627 4.587 3.960 -0.000 0.000 0.291 335 G C -2.199 172.706 174.900 0.009 0.000 1.425 335 G CA -0.467 44.607 45.100 -0.043 0.000 0.787 335 G HN 0.777 nan 8.290 nan 0.000 0.484 336 I N -0.273 120.307 120.570 0.017 0.000 2.752 336 I HA 0.654 4.824 4.170 -0.000 0.000 0.295 336 I C -1.349 174.832 176.117 0.106 0.000 1.219 336 I CA -0.982 60.371 61.300 0.087 0.000 1.030 336 I CB 2.316 40.390 38.000 0.125 0.000 1.259 336 I HN 0.384 nan 8.210 nan 0.000 0.423 337 V N 7.184 127.196 119.914 0.164 0.000 2.588 337 V HA 0.537 4.657 4.120 -0.000 0.000 0.304 337 V C -0.519 175.705 176.094 0.216 0.000 1.042 337 V CA -0.461 61.953 62.300 0.190 0.000 0.877 337 V CB 1.840 33.790 31.823 0.212 0.000 0.996 337 V HN 0.647 nan 8.190 nan 0.000 0.425 338 M N 6.080 125.817 119.600 0.229 0.000 2.142 338 M HA 0.614 5.094 4.480 -0.000 0.000 0.299 338 M C -1.330 175.066 176.300 0.159 0.000 0.960 338 M CA -0.131 55.302 55.300 0.221 0.000 0.920 338 M CB 1.884 34.661 32.600 0.295 0.000 1.541 338 M HN 0.389 nan 8.290 nan 0.000 0.429 339 L N 2.881 124.097 121.223 -0.012 0.000 2.356 339 L HA 0.984 5.324 4.340 -0.000 0.000 0.277 339 L C -0.426 176.287 176.870 -0.261 0.000 0.996 339 L CA -0.736 53.954 54.840 -0.250 0.000 0.822 339 L CB 1.824 43.383 42.059 -0.833 0.000 1.256 339 L HN 0.793 nan 8.230 nan 0.000 0.413 340 A N 1.920 124.842 122.820 0.171 0.000 2.414 340 A HA 0.573 4.893 4.320 -0.000 0.000 0.306 340 A C -0.321 177.621 177.584 0.597 0.000 1.054 340 A CA -0.745 51.525 52.037 0.388 0.000 0.724 340 A CB 1.219 20.457 19.000 0.395 0.000 1.267 340 A HN 0.758 nan 8.150 nan 0.000 0.418 341 N N 1.332 120.324 118.700 0.487 0.000 2.575 341 N HA 0.147 4.887 4.740 -0.000 0.000 0.275 341 N C -0.431 175.075 175.510 -0.006 0.000 1.202 341 N CA -0.071 52.961 53.050 -0.030 0.000 0.945 341 N CB 0.182 38.621 38.487 -0.080 0.000 1.247 341 N HN 0.604 nan 8.380 nan 0.000 0.510 342 K N 0.098 120.585 120.400 0.145 0.000 2.498 342 K HA 0.242 4.561 4.320 -0.000 0.000 0.254 342 K C -1.477 175.298 176.600 0.293 0.000 0.933 342 K CA -0.729 55.663 56.287 0.174 0.000 0.806 342 K CB 1.255 33.853 32.500 0.163 0.000 1.301 342 K HN -0.050 nan 8.250 nan 0.000 0.432 343 N N 4.001 122.835 118.700 0.222 0.000 2.448 343 N HA 0.097 4.837 4.740 -0.000 0.000 0.250 343 N C -1.416 174.211 175.510 0.195 0.000 1.136 343 N CA -0.030 53.136 53.050 0.192 0.000 0.953 343 N CB -0.179 38.388 38.487 0.134 0.000 1.251 343 N HN 0.472 nan 8.380 nan 0.000 0.502 344 Y N 1.382 121.721 120.300 0.066 0.000 2.534 344 Y HA 0.790 5.340 4.550 -0.000 0.000 0.329 344 Y C -2.493 173.423 175.900 0.027 0.000 1.154 344 Y CA -3.073 55.049 58.100 0.038 0.000 1.192 344 Y CB -0.007 38.469 38.460 0.027 0.000 1.275 344 Y HN 0.262 nan 8.280 nan 0.000 0.491 345 P HA 0.088 nan 4.420 nan 0.000 0.268 345 P C -0.049 177.135 177.300 -0.194 0.000 1.204 345 P CA 0.038 63.095 63.100 -0.073 0.000 0.768 345 P CB 0.769 32.473 31.700 0.007 0.000 0.842 346 N N 4.089 122.675 118.700 -0.191 0.000 2.061 346 N HA -0.151 4.589 4.740 -0.000 0.000 0.193 346 N C -0.917 174.483 175.510 -0.183 0.000 1.030 346 N CA 1.943 54.863 53.050 -0.216 0.000 0.856 346 N CB -1.930 36.461 38.487 -0.159 0.000 1.023 346 N HN 0.461 nan 8.380 nan 0.000 0.424 347 P HA 0.008 nan 4.420 nan 0.000 0.220 347 P C 0.949 178.222 177.300 -0.046 0.000 1.148 347 P CA 1.142 64.193 63.100 -0.083 0.000 0.803 347 P CB -0.028 31.639 31.700 -0.055 0.000 0.782 348 A N 0.099 122.917 122.820 -0.002 0.000 1.929 348 A HA -0.169 4.151 4.320 -0.000 0.000 0.216 348 A C 2.209 179.867 177.584 0.123 0.000 1.176 348 A CA 1.125 53.217 52.037 0.091 0.000 0.628 348 A CB -0.861 18.260 19.000 0.201 0.000 0.816 348 A HN 0.079 nan 8.150 nan 0.000 0.444 349 R N -0.484 120.035 120.500 0.032 0.000 2.070 349 R HA -0.097 4.243 4.340 -0.000 0.000 0.233 349 R C 1.995 178.227 176.300 -0.114 0.000 1.137 349 R CA 1.636 57.729 56.100 -0.011 0.000 0.945 349 R CB -0.748 29.397 30.300 -0.258 0.000 0.845 349 R HN 0.371 nan 8.270 nan 0.000 0.430 350 V N 1.585 121.326 119.914 -0.288 0.000 2.358 350 V HA -0.225 3.895 4.120 -0.000 0.000 0.246 350 V C 2.085 178.245 176.094 0.110 0.000 1.047 350 V CA 1.854 64.032 62.300 -0.204 0.000 1.035 350 V CB -0.553 31.159 31.823 -0.185 0.000 0.658 350 V HN 0.308 nan 8.190 nan 0.000 0.452 351 D N 0.611 121.053 120.400 0.070 0.000 2.104 351 D HA -0.188 4.452 4.640 -0.000 0.000 0.194 351 D C 2.187 178.618 176.300 0.217 0.000 0.994 351 D CA 1.916 55.996 54.000 0.134 0.000 0.830 351 D CB -0.017 40.827 40.800 0.073 0.000 0.959 351 D HN 0.386 nan 8.370 nan 0.000 0.452 352 A N 0.750 123.674 122.820 0.173 0.000 1.902 352 A HA 0.006 4.326 4.320 -0.000 0.000 0.217 352 A C 2.408 180.135 177.584 0.237 0.000 1.181 352 A CA 2.449 54.586 52.037 0.167 0.000 0.623 352 A CB -0.862 18.214 19.000 0.127 0.000 0.818 352 A HN 0.312 nan 8.150 nan 0.000 0.443 353 A N -1.188 121.839 122.820 0.345 0.000 1.933 353 A HA -0.180 4.140 4.320 -0.000 0.000 0.218 353 A C 2.114 180.020 177.584 0.537 0.000 1.175 353 A CA 1.360 53.684 52.037 0.479 0.000 0.628 353 A CB -0.908 18.573 19.000 0.801 0.000 0.814 353 A HN 0.883 nan 8.150 nan 0.000 0.444 354 W N 0.637 122.160 121.300 0.371 0.000 2.355 354 W HA -0.196 4.464 4.660 -0.000 0.000 0.309 354 W C 1.826 178.474 176.519 0.214 0.000 1.206 354 W CA 1.923 59.438 57.345 0.285 0.000 1.284 354 W CB -0.255 29.246 29.460 0.069 0.000 1.145 354 W HN 0.372 nan 8.180 nan 0.000 0.502 355 Q N 0.802 120.689 119.800 0.145 0.000 2.096 355 Q HA -0.212 4.128 4.340 -0.000 0.000 0.204 355 Q C 2.240 178.194 176.000 -0.078 0.000 0.982 355 Q CA 2.131 57.927 55.803 -0.013 0.000 0.850 355 Q CB -1.000 27.787 28.738 0.080 0.000 0.901 355 Q HN 0.498 nan 8.270 nan 0.000 0.422 356 I N 0.130 120.707 120.570 0.012 0.000 2.162 356 I HA -0.249 3.921 4.170 -0.000 0.000 0.238 356 I C 2.280 178.382 176.117 -0.026 0.000 1.076 356 I CA 0.854 62.153 61.300 -0.001 0.000 1.353 356 I CB -0.284 37.741 38.000 0.042 0.000 1.063 356 I HN 0.108 nan 8.210 nan 0.000 0.408 357 L N 0.333 121.570 121.223 0.024 0.000 2.141 357 L HA -0.192 4.148 4.340 -0.000 0.000 0.209 357 L C 2.218 179.025 176.870 -0.105 0.000 1.094 357 L CA 1.224 56.071 54.840 0.011 0.000 0.763 357 L CB -0.756 41.379 42.059 0.125 0.000 0.908 357 L HN 0.336 nan 8.230 nan 0.000 0.437 358 N N 0.473 118.969 118.700 -0.341 0.000 2.244 358 N HA -0.120 4.620 4.740 -0.000 0.000 0.183 358 N C 1.773 177.165 175.510 -0.198 0.000 1.016 358 N CA 1.272 54.045 53.050 -0.462 0.000 0.866 358 N CB 0.052 37.844 38.487 -1.159 0.000 0.980 358 N HN 0.259 nan 8.380 nan 0.000 0.430 359 A N -0.051 122.673 122.820 -0.161 0.000 1.969 359 A HA 0.011 4.331 4.320 -0.000 0.000 0.218 359 A C 2.046 179.608 177.584 -0.036 0.000 1.169 359 A CA 0.914 52.903 52.037 -0.080 0.000 0.635 359 A CB -0.412 18.544 19.000 -0.074 0.000 0.810 359 A HN 0.350 nan 8.150 nan 0.000 0.445 360 L N -0.489 120.722 121.223 -0.019 0.000 2.513 360 L HA 0.053 4.393 4.340 -0.000 0.000 0.222 360 L C 1.343 178.293 176.870 0.132 0.000 1.096 360 L CA -0.091 54.784 54.840 0.058 0.000 0.857 360 L CB -0.350 41.752 42.059 0.072 0.000 1.026 360 L HN 0.573 nan 8.230 nan 0.000 0.469 361 Q N 0.000 119.830 119.800 0.050 0.000 2.315 361 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 361 Q CA 0.000 55.817 55.803 0.024 0.000 1.022 361 Q CB 0.000 28.728 28.738 -0.017 0.000 1.108 361 Q HN 0.000 nan 8.270 nan 0.000 0.481