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 3o88_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 0.000 177.455 177.584 -0.216 0.000 1.274 4 A CA 0.000 51.913 52.037 -0.207 0.000 0.836 4 A CB 0.000 18.834 19.000 -0.276 0.000 0.831 5 P HA 0.038 nan 4.420 nan 0.000 0.266 5 P C 0.756 177.944 177.300 -0.186 0.000 1.186 5 P CA -0.045 62.915 63.100 -0.234 0.000 0.767 5 P CB 0.587 32.088 31.700 -0.332 0.000 0.820 6 Q N 2.490 122.222 119.800 -0.114 0.000 2.170 6 Q HA -0.247 4.093 4.340 -0.000 0.000 0.203 6 Q C 2.171 178.120 176.000 -0.084 0.000 0.976 6 Q CA 2.553 58.312 55.803 -0.072 0.000 0.858 6 Q CB -0.425 28.288 28.738 -0.043 0.000 0.907 6 Q HN 0.613 nan 8.270 nan 0.000 0.433 7 Q N 0.616 120.338 119.800 -0.130 0.000 2.124 7 Q HA -0.087 4.253 4.340 -0.000 0.000 0.202 7 Q C 2.051 177.954 176.000 -0.163 0.000 0.977 7 Q CA 1.640 57.362 55.803 -0.136 0.000 0.850 7 Q CB -0.694 27.947 28.738 -0.161 0.000 0.901 7 Q HN 0.610 nan 8.270 nan 0.000 0.429 8 I N 0.519 120.947 120.570 -0.237 0.000 2.233 8 I HA -0.217 3.953 4.170 -0.000 0.000 0.243 8 I C 2.131 178.211 176.117 -0.061 0.000 1.093 8 I CA 1.038 62.218 61.300 -0.201 0.000 1.380 8 I CB -0.297 37.522 38.000 -0.301 0.000 1.067 8 I HN 0.364 nan 8.210 nan 0.000 0.413 9 N N 0.984 119.697 118.700 0.021 0.000 2.061 9 N HA -0.255 4.485 4.740 -0.000 0.000 0.193 9 N C 1.512 177.069 175.510 0.078 0.000 1.030 9 N CA 1.904 55.030 53.050 0.126 0.000 0.856 9 N CB -0.568 37.974 38.487 0.092 0.000 1.023 9 N HN 0.381 nan 8.380 nan 0.000 0.424 10 D N 0.287 120.708 120.400 0.035 0.000 2.087 10 D HA -0.113 4.527 4.640 -0.000 0.000 0.192 10 D C 1.893 178.214 176.300 0.034 0.000 0.993 10 D CA 0.707 54.737 54.000 0.051 0.000 0.828 10 D CB -0.215 40.593 40.800 0.013 0.000 0.968 10 D HN 0.122 nan 8.370 nan 0.000 0.448 11 I N -0.258 120.299 120.570 -0.021 0.000 2.315 11 I HA -0.135 4.035 4.170 -0.000 0.000 0.248 11 I C 2.061 178.153 176.117 -0.042 0.000 1.117 11 I CA 0.786 62.065 61.300 -0.035 0.000 1.404 11 I CB -0.170 37.797 38.000 -0.055 0.000 1.071 11 I HN -0.006 nan 8.210 nan 0.000 0.419 12 V N 0.160 120.016 119.914 -0.097 0.000 2.358 12 V HA -0.305 3.815 4.120 -0.000 0.000 0.246 12 V C 2.543 178.667 176.094 0.051 0.000 1.047 12 V CA 2.222 64.428 62.300 -0.157 0.000 1.035 12 V CB -1.064 30.378 31.823 -0.634 0.000 0.658 12 V HN 0.531 nan 8.190 nan 0.000 0.452 13 H N 0.897 119.977 119.070 0.016 0.000 2.357 13 H HA -0.070 4.486 4.556 -0.000 0.000 0.301 13 H C 2.422 177.785 175.328 0.059 0.000 1.082 13 H CA 1.858 57.982 56.048 0.127 0.000 1.342 13 H CB -0.113 29.724 29.762 0.125 0.000 1.389 13 H HN 0.282 nan 8.280 nan 0.000 0.511 14 R N -1.073 119.419 120.500 -0.013 0.000 2.189 14 R HA -0.041 4.299 4.340 -0.000 0.000 0.223 14 R C 1.732 177.987 176.300 -0.075 0.000 1.092 14 R CA 1.636 57.681 56.100 -0.092 0.000 0.989 14 R CB 0.145 30.418 30.300 -0.046 0.000 0.876 14 R HN 0.335 nan 8.270 nan 0.000 0.457 15 T N 0.276 114.801 114.554 -0.049 0.000 3.044 15 T HA 0.122 4.472 4.350 -0.000 0.000 0.237 15 T C 1.721 176.364 174.700 -0.096 0.000 1.001 15 T CA 0.247 62.318 62.100 -0.049 0.000 1.160 15 T CB 0.205 69.062 68.868 -0.018 0.000 0.889 15 T HN -0.044 nan 8.240 nan 0.000 0.442 16 I N 2.190 122.682 120.570 -0.131 0.000 2.333 16 I HA -0.057 4.113 4.170 -0.000 0.000 0.246 16 I C 2.582 178.430 176.117 -0.447 0.000 1.106 16 I CA 1.364 62.477 61.300 -0.310 0.000 1.411 16 I CB -1.816 35.901 38.000 -0.472 0.000 1.082 16 I HN 0.252 nan 8.210 nan 0.000 0.420 17 T N 2.129 116.512 114.554 -0.286 0.000 2.720 17 T HA -0.084 4.266 4.350 -0.000 0.000 0.268 17 T C -0.299 174.272 174.700 -0.216 0.000 1.037 17 T CA 1.553 63.507 62.100 -0.244 0.000 1.144 17 T CB -1.341 67.604 68.868 0.129 0.000 0.864 17 T HN 0.231 nan 8.240 nan 0.000 0.444 18 P HA 0.028 nan 4.420 nan 0.000 0.217 18 P C 1.664 178.875 177.300 -0.149 0.000 1.151 18 P CA 0.435 63.454 63.100 -0.136 0.000 0.828 18 P CB -0.177 31.459 31.700 -0.107 0.000 0.788 19 L N -0.593 120.523 121.223 -0.178 0.000 2.042 19 L HA -0.159 4.181 4.340 -0.000 0.000 0.210 19 L C 2.145 178.859 176.870 -0.261 0.000 1.076 19 L CA 1.834 56.561 54.840 -0.190 0.000 0.749 19 L CB -1.124 40.823 42.059 -0.186 0.000 0.893 19 L HN -0.142 nan 8.230 nan 0.000 0.432 20 I N -0.449 119.927 120.570 -0.323 0.000 2.163 20 I HA -0.255 3.915 4.170 -0.000 0.000 0.243 20 I C 2.474 178.471 176.117 -0.201 0.000 1.085 20 I CA 1.189 62.301 61.300 -0.313 0.000 1.347 20 I CB -0.504 37.266 38.000 -0.383 0.000 1.044 20 I HN 0.336 nan 8.210 nan 0.000 0.408 21 E N 0.687 120.791 120.200 -0.159 0.000 2.051 21 E HA -0.255 4.095 4.350 -0.000 0.000 0.192 21 E C 2.170 178.716 176.600 -0.090 0.000 0.991 21 E CA 1.366 57.706 56.400 -0.100 0.000 0.799 21 E CB -0.417 29.238 29.700 -0.076 0.000 0.748 21 E HN 0.593 nan 8.360 nan 0.000 0.449 22 Q N 0.143 119.884 119.800 -0.099 0.000 2.124 22 Q HA -0.118 4.222 4.340 -0.000 0.000 0.202 22 Q C 1.880 177.835 176.000 -0.075 0.000 0.977 22 Q CA 1.079 56.837 55.803 -0.074 0.000 0.850 22 Q CB 0.105 28.803 28.738 -0.066 0.000 0.901 22 Q HN 0.155 nan 8.270 nan 0.000 0.429 23 Q N -0.073 119.652 119.800 -0.125 0.000 2.319 23 Q HA 0.100 4.440 4.340 -0.000 0.000 0.202 23 Q C -0.383 175.558 176.000 -0.099 0.000 0.896 23 Q CA 0.150 55.880 55.803 -0.123 0.000 0.942 23 Q CB 0.777 29.346 28.738 -0.283 0.000 1.083 23 Q HN 0.271 nan 8.270 nan 0.000 0.510 24 K N 0.804 121.147 120.400 -0.096 0.000 3.150 24 K HA -0.170 4.150 4.320 -0.000 0.000 0.267 24 K C -0.570 175.987 176.600 -0.072 0.000 1.028 24 K CA 0.240 56.486 56.287 -0.068 0.000 0.753 24 K CB -1.895 30.582 32.500 -0.037 0.000 1.288 24 K HN 0.252 nan 8.250 nan 0.000 0.473 25 I N 0.931 121.433 120.570 -0.114 0.000 2.396 25 I HA 0.034 4.204 4.170 -0.000 0.000 0.289 25 I C -0.984 175.116 176.117 -0.028 0.000 1.056 25 I CA -2.151 59.097 61.300 -0.087 0.000 1.365 25 I CB 0.855 38.745 38.000 -0.185 0.000 1.407 25 I HN -0.004 nan 8.210 nan 0.000 0.509 26 P HA -0.025 nan 4.420 nan 0.000 0.216 26 P C 0.422 177.784 177.300 0.102 0.000 1.153 26 P CA 0.580 63.681 63.100 0.001 0.000 0.848 26 P CB 0.283 31.907 31.700 -0.127 0.000 0.787 27 G N -1.474 107.445 108.800 0.199 0.000 2.696 27 G HA2 0.682 4.642 3.960 -0.000 0.000 0.295 27 G HA3 0.682 4.642 3.960 -0.000 0.000 0.295 27 G C -1.920 173.233 174.900 0.422 0.000 1.398 27 G CA -0.377 44.909 45.100 0.311 0.000 0.920 27 G HN 0.047 nan 8.290 nan 0.000 0.492 28 M N 1.058 120.945 119.600 0.479 0.000 2.413 28 M HA 0.711 5.191 4.480 -0.000 0.000 0.287 28 M C -1.396 175.229 176.300 0.542 0.000 1.186 28 M CA -0.495 55.060 55.300 0.425 0.000 0.927 28 M CB 2.260 34.985 32.600 0.209 0.000 1.715 28 M HN 1.039 nan 8.290 nan 0.000 0.478 29 A N 3.374 126.367 122.820 0.289 0.000 2.386 29 A HA 0.896 5.216 4.320 -0.000 0.000 0.311 29 A C -1.742 176.044 177.584 0.336 0.000 1.068 29 A CA -0.631 51.614 52.037 0.347 0.000 0.743 29 A CB 1.821 20.961 19.000 0.233 0.000 1.258 29 A HN 0.628 nan 8.150 nan 0.000 0.429 30 V N 0.810 121.036 119.914 0.519 0.000 2.709 30 V HA 0.797 4.916 4.120 -0.000 0.000 0.308 30 V C 0.089 176.498 176.094 0.525 0.000 1.062 30 V CA -0.222 62.368 62.300 0.483 0.000 0.901 30 V CB 1.860 34.008 31.823 0.542 0.000 1.003 30 V HN 1.431 nan 8.190 nan 0.000 0.425 31 A N 3.825 126.876 122.820 0.385 0.000 2.355 31 A HA 0.895 5.215 4.320 -0.000 0.000 0.317 31 A C -1.123 176.606 177.584 0.241 0.000 1.094 31 A CA -0.571 51.639 52.037 0.289 0.000 0.764 31 A CB 1.811 20.931 19.000 0.200 0.000 1.230 31 A HN 0.660 nan 8.150 nan 0.000 0.448 32 V N 3.265 123.339 119.914 0.267 0.000 2.417 32 V HA 0.378 4.498 4.120 -0.000 0.000 0.291 32 V C -0.822 175.391 176.094 0.198 0.000 1.024 32 V CA -0.287 62.154 62.300 0.235 0.000 0.861 32 V CB 1.354 33.349 31.823 0.286 0.000 0.985 32 V HN 0.724 nan 8.190 nan 0.000 0.436 33 I N 5.788 126.433 120.570 0.126 0.000 2.321 33 I HA 0.413 4.583 4.170 -0.000 0.000 0.291 33 I C -0.721 175.503 176.117 0.178 0.000 0.998 33 I CA -0.269 61.081 61.300 0.083 0.000 1.227 33 I CB 0.988 38.971 38.000 -0.029 0.000 1.368 33 I HN 0.605 nan 8.210 nan 0.000 0.466 34 Y N 5.157 125.523 120.300 0.111 0.000 2.386 34 Y HA 0.332 4.882 4.550 0.000 0.000 0.334 34 Y C 0.062 176.012 175.900 0.082 0.000 1.002 34 Y CA -0.903 57.257 58.100 0.100 0.000 1.068 34 Y CB 1.307 39.852 38.460 0.141 0.000 1.203 34 Y HN 0.694 nan 8.280 nan 0.000 0.443 35 Q N 4.619 124.127 119.800 -0.487 0.000 2.434 35 Q HA -0.278 4.062 4.340 -0.000 0.000 0.299 35 Q C 1.148 177.060 176.000 -0.147 0.000 1.286 35 Q CA 1.273 56.868 55.803 -0.345 0.000 0.872 35 Q CB -1.604 26.903 28.738 -0.385 0.000 1.193 35 Q HN 1.418 nan 8.270 nan 0.000 0.466 36 G N -2.627 106.100 108.800 -0.121 0.000 2.212 36 G HA2 -0.389 3.571 3.960 -0.000 0.000 0.266 36 G HA3 -0.389 3.571 3.960 -0.000 0.000 0.266 36 G C 0.191 175.037 174.900 -0.090 0.000 0.978 36 G CA 0.839 45.876 45.100 -0.106 0.000 0.632 36 G HN 0.823 nan 8.290 nan 0.000 0.537 37 K N 1.285 121.648 120.400 -0.061 0.000 2.138 37 K HA 0.858 5.178 4.320 -0.000 0.000 0.263 37 K C -2.541 173.864 176.600 -0.324 0.000 0.965 37 K CA -1.372 54.810 56.287 -0.174 0.000 0.868 37 K CB 1.627 34.022 32.500 -0.175 0.000 1.083 37 K HN 0.268 nan 8.250 nan 0.000 0.443 38 P HA 0.475 nan 4.420 nan 0.000 0.286 38 P C -1.416 175.258 177.300 -1.044 0.000 1.261 38 P CA -0.390 62.356 63.100 -0.589 0.000 0.821 38 P CB 0.491 31.892 31.700 -0.498 0.000 1.013 39 Y N 0.973 120.978 120.300 -0.492 0.000 2.406 39 Y HA 0.458 5.008 4.550 -0.000 0.000 0.340 39 Y C -0.183 175.351 175.900 -0.610 0.000 0.975 39 Y CA -0.563 57.257 58.100 -0.468 0.000 1.056 39 Y CB 1.881 40.253 38.460 -0.147 0.000 1.210 39 Y HN 0.278 nan 8.280 nan 0.000 0.448 40 Y N 2.375 122.488 120.300 -0.311 0.000 2.468 40 Y HA 0.713 5.263 4.550 -0.000 0.000 0.342 40 Y C -1.055 174.406 175.900 -0.732 0.000 1.021 40 Y CA -1.610 56.329 58.100 -0.268 0.000 1.079 40 Y CB 1.479 39.860 38.460 -0.133 0.000 1.226 40 Y HN 0.378 nan 8.280 nan 0.000 0.460 41 F N 0.177 120.210 119.950 0.137 0.000 2.581 41 F HA 0.641 5.168 4.527 -0.000 0.000 0.311 41 F C -0.308 175.336 175.800 -0.259 0.000 1.113 41 F CA -0.963 56.914 58.000 -0.206 0.000 0.935 41 F CB 2.343 41.222 39.000 -0.201 0.000 1.232 41 F HN 0.403 nan 8.300 nan 0.000 0.445 42 T N -1.433 112.886 114.554 -0.391 0.000 2.903 42 T HA 0.691 5.040 4.350 -0.000 0.000 0.299 42 T C -1.614 172.907 174.700 -0.298 0.000 1.093 42 T CA -0.764 61.276 62.100 -0.101 0.000 1.002 42 T CB 2.019 70.915 68.868 0.047 0.000 1.127 42 T HN 0.602 nan 8.240 nan 0.000 0.488 43 W N 0.356 121.739 121.300 0.139 0.000 3.256 43 W HA 0.506 5.166 4.660 -0.000 0.000 0.324 43 W C 0.694 177.231 176.519 0.031 0.000 1.196 43 W CA -0.113 57.273 57.345 0.070 0.000 1.206 43 W CB 1.796 31.300 29.460 0.073 0.000 1.385 43 W HN 1.429 nan 8.180 nan 0.000 0.522 44 G N 1.476 110.339 108.800 0.105 0.000 2.593 44 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.237 44 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.237 44 G C -1.726 173.086 174.900 -0.148 0.000 1.312 44 G CA -0.595 44.432 45.100 -0.121 0.000 0.896 44 G HN 0.533 nan 8.290 nan 0.000 0.574 45 Y N 0.515 120.905 120.300 0.150 0.000 2.364 45 Y HA 0.548 5.098 4.550 -0.000 0.000 0.340 45 Y C 1.429 177.434 175.900 0.174 0.000 0.975 45 Y CA -0.302 57.877 58.100 0.132 0.000 1.089 45 Y CB 1.895 40.400 38.460 0.075 0.000 1.192 45 Y HN 0.862 nan 8.280 nan 0.000 0.454 46 A N 1.488 124.509 122.820 0.335 0.000 1.898 46 A HA -0.127 4.193 4.320 -0.000 0.000 0.216 46 A C 0.424 178.213 177.584 0.342 0.000 1.181 46 A CA 1.744 53.926 52.037 0.240 0.000 0.620 46 A CB -0.061 19.019 19.000 0.133 0.000 0.819 46 A HN 0.678 nan 8.150 nan 0.000 0.442 47 D N -1.455 119.141 120.400 0.327 0.000 2.476 47 D HA 0.434 5.074 4.640 -0.000 0.000 0.251 47 D C 0.662 177.033 176.300 0.119 0.000 1.291 47 D CA -0.477 53.727 54.000 0.340 0.000 0.939 47 D CB 0.684 41.674 40.800 0.316 0.000 1.221 47 D HN 0.153 nan 8.370 nan 0.000 0.567 48 I N 2.250 122.880 120.570 0.100 0.000 2.142 48 I HA -0.215 3.955 4.170 -0.000 0.000 0.240 48 I C 2.447 178.418 176.117 -0.244 0.000 1.078 48 I CA 1.203 62.402 61.300 -0.168 0.000 1.343 48 I CB -0.140 37.727 38.000 -0.221 0.000 1.046 48 I HN 0.457 nan 8.210 nan 0.000 0.405 49 A N 0.954 123.703 122.820 -0.118 0.000 1.892 49 A HA -0.238 4.082 4.320 -0.000 0.000 0.218 49 A C 2.202 179.708 177.584 -0.130 0.000 1.188 49 A CA 1.790 53.753 52.037 -0.123 0.000 0.631 49 A CB -0.526 18.410 19.000 -0.107 0.000 0.822 49 A HN 0.372 nan 8.150 nan 0.000 0.447 50 K N -0.755 119.588 120.400 -0.094 0.000 2.525 50 K HA 0.035 4.355 4.320 -0.000 0.000 0.192 50 K C -0.094 176.420 176.600 -0.143 0.000 1.029 50 K CA 0.418 56.660 56.287 -0.074 0.000 1.029 50 K CB 0.088 32.590 32.500 0.003 0.000 0.814 50 K HN 0.192 nan 8.250 nan 0.000 0.503 51 K N 0.464 120.665 120.400 -0.331 0.000 3.311 51 K HA -0.160 4.160 4.320 -0.000 0.000 0.270 51 K C -0.370 176.110 176.600 -0.200 0.000 0.927 51 K CA 1.031 56.920 56.287 -0.664 0.000 0.706 51 K CB -2.572 29.614 32.500 -0.524 0.000 1.418 51 K HN 0.454 nan 8.250 nan 0.000 0.459 52 Q N 0.561 120.350 119.800 -0.018 0.000 2.294 52 Q HA 0.295 4.635 4.340 -0.000 0.000 0.257 52 Q C -1.958 174.237 176.000 0.324 0.000 0.955 52 Q CA -2.176 53.714 55.803 0.145 0.000 0.936 52 Q CB 1.143 29.955 28.738 0.124 0.000 1.188 52 Q HN 0.504 nan 8.270 nan 0.000 0.420 53 P HA 0.100 nan 4.420 nan 0.000 0.272 53 P C -0.294 177.131 177.300 0.208 0.000 1.223 53 P CA -0.140 63.126 63.100 0.277 0.000 0.784 53 P CB 0.635 32.433 31.700 0.163 0.000 0.923 54 V N 2.551 122.591 119.914 0.209 0.000 2.585 54 V HA 0.188 4.308 4.120 -0.000 0.000 0.296 54 V C 1.299 177.491 176.094 0.164 0.000 1.035 54 V CA 0.752 63.188 62.300 0.227 0.000 1.084 54 V CB 0.194 32.234 31.823 0.361 0.000 0.953 54 V HN 0.870 nan 8.190 nan 0.000 0.483 55 T N 1.420 116.058 114.554 0.139 0.000 2.858 55 T HA 0.335 4.685 4.350 -0.000 0.000 0.285 55 T C 0.570 175.313 174.700 0.071 0.000 1.052 55 T CA -0.726 61.417 62.100 0.072 0.000 1.009 55 T CB 1.658 70.541 68.868 0.025 0.000 1.241 55 T HN 0.460 nan 8.240 nan 0.000 0.542 56 Q N -0.327 119.457 119.800 -0.028 0.000 2.364 56 Q HA -0.084 4.256 4.340 -0.000 0.000 0.209 56 Q C 1.893 177.834 176.000 -0.098 0.000 0.977 56 Q CA 1.159 56.893 55.803 -0.114 0.000 0.885 56 Q CB -0.060 28.516 28.738 -0.270 0.000 0.941 56 Q HN 0.627 nan 8.270 nan 0.000 0.464 57 Q N -0.475 119.274 119.800 -0.085 0.000 2.319 57 Q HA 0.081 4.421 4.340 -0.000 0.000 0.202 57 Q C 0.369 176.344 176.000 -0.043 0.000 0.896 57 Q CA 0.098 55.818 55.803 -0.139 0.000 0.942 57 Q CB 0.617 29.242 28.738 -0.188 0.000 1.083 57 Q HN 0.329 nan 8.270 nan 0.000 0.510 58 T N 2.389 116.973 114.554 0.050 0.000 2.834 58 T HA 0.338 4.688 4.350 -0.000 0.000 0.298 58 T C -0.093 174.651 174.700 0.074 0.000 0.966 58 T CA -0.150 61.977 62.100 0.044 0.000 1.141 58 T CB 0.182 69.081 68.868 0.052 0.000 0.905 58 T HN 0.140 nan 8.240 nan 0.000 0.535 59 L N 4.462 125.678 121.223 -0.011 0.000 2.305 59 L HA 0.486 4.826 4.340 -0.000 0.000 0.281 59 L C -0.381 176.460 176.870 -0.048 0.000 1.085 59 L CA 0.065 54.907 54.840 0.002 0.000 0.813 59 L CB 0.221 42.197 42.059 -0.139 0.000 1.157 59 L HN 0.529 nan 8.230 nan 0.000 0.436 60 F N 0.690 120.659 119.950 0.031 0.000 2.522 60 F HA 0.418 4.945 4.527 -0.000 0.000 0.324 60 F C 0.544 176.103 175.800 -0.402 0.000 1.077 60 F CA -0.923 57.056 58.000 -0.035 0.000 0.944 60 F CB 1.266 40.395 39.000 0.214 0.000 1.175 60 F HN 0.404 nan 8.300 nan 0.000 0.468 61 E N 2.693 122.361 120.200 -0.886 0.000 2.324 61 E HA 0.140 4.490 4.350 -0.000 0.000 0.271 61 E C 0.445 176.960 176.600 -0.141 0.000 1.028 61 E CA -0.015 56.060 56.400 -0.543 0.000 0.890 61 E CB 0.805 30.107 29.700 -0.663 0.000 1.004 61 E HN 0.612 nan 8.360 nan 0.000 0.431 62 L N 2.833 124.049 121.223 -0.013 0.000 2.446 62 L HA 0.087 4.427 4.340 -0.000 0.000 0.219 62 L C 1.434 178.396 176.870 0.155 0.000 1.116 62 L CA 0.412 55.316 54.840 0.107 0.000 0.844 62 L CB -0.802 41.323 42.059 0.110 0.000 0.970 62 L HN 0.905 nan 8.230 nan 0.000 0.457 63 G N 0.591 109.483 108.800 0.153 0.000 2.596 63 G HA2 -0.387 3.573 3.960 -0.000 0.000 0.295 63 G HA3 -0.387 3.573 3.960 -0.000 0.000 0.295 63 G C 0.833 175.874 174.900 0.234 0.000 1.240 63 G CA 0.401 45.623 45.100 0.204 0.000 0.985 63 G HN 0.217 nan 8.290 nan 0.000 0.555 64 S N -0.082 115.754 115.700 0.227 0.000 2.507 64 S HA 0.048 4.518 4.470 -0.000 0.000 0.235 64 S C 2.351 177.081 174.600 0.217 0.000 0.988 64 S CA 1.235 59.589 58.200 0.255 0.000 0.944 64 S CB -0.043 63.339 63.200 0.304 0.000 0.762 64 S HN 0.753 nan 8.310 nan 0.000 0.526 65 V N 1.850 121.880 119.914 0.194 0.000 2.867 65 V HA -0.153 3.966 4.120 -0.000 0.000 0.260 65 V C 2.136 178.350 176.094 0.202 0.000 1.099 65 V CA 1.491 63.890 62.300 0.164 0.000 1.122 65 V CB -0.883 31.062 31.823 0.204 0.000 0.708 65 V HN 0.463 nan 8.190 nan 0.000 0.490 66 S N -0.236 115.604 115.700 0.232 0.000 2.419 66 S HA -0.216 4.254 4.470 -0.000 0.000 0.233 66 S C 1.910 176.671 174.600 0.269 0.000 1.016 66 S CA 1.228 59.595 58.200 0.278 0.000 0.974 66 S CB -0.264 63.038 63.200 0.169 0.000 0.786 66 S HN 0.644 nan 8.310 nan 0.000 0.492 67 K N 0.999 121.513 120.400 0.189 0.000 2.211 67 K HA -0.110 4.210 4.320 -0.000 0.000 0.204 67 K C 2.441 179.077 176.600 0.059 0.000 1.047 67 K CA 1.607 57.987 56.287 0.155 0.000 0.935 67 K CB -0.484 32.128 32.500 0.187 0.000 0.728 67 K HN 0.624 nan 8.250 nan 0.000 0.452 68 T N -1.223 113.268 114.554 -0.103 0.000 2.821 68 T HA -0.099 4.251 4.350 -0.000 0.000 0.267 68 T C 1.749 176.449 174.700 0.000 0.000 1.046 68 T CA 0.795 62.657 62.100 -0.397 0.000 1.139 68 T CB -0.388 67.831 68.868 -1.082 0.000 0.871 68 T HN 0.030 nan 8.240 nan 0.000 0.454 69 F N 2.179 122.166 119.950 0.061 0.000 2.146 69 F HA 0.025 4.552 4.527 -0.000 0.000 0.298 69 F C 3.015 178.867 175.800 0.087 0.000 1.096 69 F CA 1.367 59.364 58.000 -0.005 0.000 1.275 69 F CB -1.115 37.760 39.000 -0.208 0.000 1.008 69 F HN 0.135 nan 8.300 nan 0.000 0.480 70 T N -0.641 114.104 114.554 0.318 0.000 2.788 70 T HA -0.125 4.225 4.350 -0.000 0.000 0.268 70 T C 2.337 177.219 174.700 0.304 0.000 1.044 70 T CA 1.396 63.697 62.100 0.334 0.000 1.139 70 T CB -0.948 68.121 68.868 0.337 0.000 0.867 70 T HN 0.447 nan 8.240 nan 0.000 0.454 71 G N 0.731 109.682 108.800 0.250 0.000 2.408 71 G HA2 -0.120 3.840 3.960 -0.000 0.000 0.217 71 G HA3 -0.120 3.840 3.960 -0.000 0.000 0.217 71 G C 1.677 176.737 174.900 0.267 0.000 1.150 71 G CA 0.564 45.815 45.100 0.250 0.000 0.776 71 G HN 0.428 nan 8.290 nan 0.000 0.542 72 V N 0.562 120.640 119.914 0.273 0.000 2.427 72 V HA -0.079 4.041 4.120 -0.000 0.000 0.248 72 V C 2.645 178.853 176.094 0.191 0.000 1.051 72 V CA 1.421 63.889 62.300 0.280 0.000 1.048 72 V CB -0.243 31.842 31.823 0.437 0.000 0.666 72 V HN 0.340 nan 8.190 nan 0.000 0.456 73 L N 1.302 122.611 121.223 0.142 0.000 2.046 73 L HA -0.007 4.333 4.340 -0.000 0.000 0.208 73 L C 2.327 179.196 176.870 -0.001 0.000 1.077 73 L CA 2.383 57.224 54.840 0.001 0.000 0.747 73 L CB -1.222 40.750 42.059 -0.144 0.000 0.896 73 L HN 0.269 nan 8.230 nan 0.000 0.432 74 G N -1.181 107.670 108.800 0.084 0.000 2.418 74 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.217 74 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.217 74 G C 1.516 176.505 174.900 0.148 0.000 1.158 74 G CA 0.544 45.696 45.100 0.086 0.000 0.771 74 G HN 0.581 nan 8.290 nan 0.000 0.545 75 G N 0.579 109.486 108.800 0.179 0.000 2.422 75 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.218 75 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.218 75 G C 1.439 176.393 174.900 0.089 0.000 1.146 75 G CA 1.332 46.522 45.100 0.149 0.000 0.769 75 G HN 0.514 nan 8.290 nan 0.000 0.547 76 D N 0.443 120.881 120.400 0.063 0.000 2.144 76 D HA 0.084 4.724 4.640 -0.000 0.000 0.200 76 D C 2.599 178.898 176.300 -0.001 0.000 0.978 76 D CA 1.286 55.302 54.000 0.026 0.000 0.833 76 D CB -0.217 40.588 40.800 0.009 0.000 0.961 76 D HN 0.235 nan 8.370 nan 0.000 0.470 77 A N -0.069 122.738 122.820 -0.022 0.000 1.968 77 A HA -0.016 4.304 4.320 -0.000 0.000 0.217 77 A C 2.257 179.831 177.584 -0.018 0.000 1.169 77 A CA 0.732 52.740 52.037 -0.049 0.000 0.638 77 A CB -0.615 18.317 19.000 -0.114 0.000 0.812 77 A HN 0.374 nan 8.150 nan 0.000 0.446 78 I N -0.283 120.298 120.570 0.017 0.000 2.252 78 I HA -0.224 3.946 4.170 -0.000 0.000 0.245 78 I C 2.890 179.029 176.117 0.036 0.000 1.102 78 I CA 1.007 62.332 61.300 0.041 0.000 1.385 78 I CB -0.298 37.749 38.000 0.078 0.000 1.064 78 I HN 0.325 nan 8.210 nan 0.000 0.414 79 A N 0.789 123.629 122.820 0.034 0.000 1.969 79 A HA -0.143 4.177 4.320 -0.000 0.000 0.218 79 A C 2.270 179.863 177.584 0.014 0.000 1.169 79 A CA 1.242 53.294 52.037 0.026 0.000 0.635 79 A CB -0.500 18.515 19.000 0.025 0.000 0.810 79 A HN 0.335 nan 8.150 nan 0.000 0.445 80 R N -1.263 119.241 120.500 0.006 0.000 2.313 80 R HA 0.164 4.504 4.340 -0.000 0.000 0.199 80 R C 1.296 177.599 176.300 0.006 0.000 0.958 80 R CA 0.502 56.601 56.100 -0.001 0.000 1.047 80 R CB -0.183 30.108 30.300 -0.015 0.000 0.955 80 R HN 0.654 nan 8.270 nan 0.000 0.481 81 G N 1.151 109.961 108.800 0.016 0.000 2.166 81 G HA2 -0.336 3.624 3.960 -0.000 0.000 0.260 81 G HA3 -0.336 3.624 3.960 -0.000 0.000 0.260 81 G C 0.568 175.488 174.900 0.033 0.000 0.986 81 G CA 0.693 45.809 45.100 0.027 0.000 0.683 81 G HN 0.461 nan 8.290 nan 0.000 0.527 82 E N -0.600 119.612 120.200 0.019 0.000 2.158 82 E HA 0.210 4.560 4.350 -0.000 0.000 0.191 82 E C 1.540 178.175 176.600 0.058 0.000 0.982 82 E CA 1.173 57.587 56.400 0.023 0.000 0.823 82 E CB 0.114 29.801 29.700 -0.022 0.000 0.766 82 E HN 0.909 nan 8.360 nan 0.000 0.468 83 I N -2.701 117.883 120.570 0.024 0.000 3.074 83 I HA 0.492 4.662 4.170 -0.000 0.000 0.310 83 I C -1.310 174.859 176.117 0.087 0.000 1.153 83 I CA -1.259 60.060 61.300 0.032 0.000 0.993 83 I CB 2.285 40.131 38.000 -0.256 0.000 1.237 83 I HN -0.356 nan 8.210 nan 0.000 0.443 84 K N 2.710 123.207 120.400 0.161 0.000 2.371 84 K HA 0.510 4.830 4.320 -0.000 0.000 0.251 84 K C 0.078 176.762 176.600 0.141 0.000 0.934 84 K CA -0.757 55.611 56.287 0.135 0.000 0.798 84 K CB 2.883 35.464 32.500 0.135 0.000 1.204 84 K HN 0.609 nan 8.250 nan 0.000 0.427 85 L N 1.071 122.354 121.223 0.101 0.000 2.275 85 L HA -0.151 4.189 4.340 -0.000 0.000 0.215 85 L C 1.926 178.829 176.870 0.054 0.000 1.119 85 L CA 1.183 56.062 54.840 0.066 0.000 0.790 85 L CB -0.245 41.804 42.059 -0.017 0.000 0.919 85 L HN 0.711 nan 8.230 nan 0.000 0.443 86 S N -2.588 113.155 115.700 0.072 0.000 2.561 86 S HA -0.011 4.459 4.470 -0.000 0.000 0.225 86 S C 0.587 175.249 174.600 0.104 0.000 0.977 86 S CA -0.165 58.074 58.200 0.065 0.000 0.926 86 S CB -0.354 62.881 63.200 0.059 0.000 0.769 86 S HN 0.223 nan 8.310 nan 0.000 0.533 87 D N 3.737 124.236 120.400 0.166 0.000 2.345 87 D HA 0.363 5.003 4.640 -0.000 0.000 0.247 87 D C -2.591 173.842 176.300 0.221 0.000 1.108 87 D CA -1.738 52.383 54.000 0.201 0.000 0.894 87 D CB 0.813 41.809 40.800 0.328 0.000 1.203 87 D HN 0.135 nan 8.370 nan 0.000 0.430 88 P HA 0.020 nan 4.420 nan 0.000 0.267 88 P C 0.787 178.231 177.300 0.239 0.000 1.200 88 P CA -0.022 63.192 63.100 0.189 0.000 0.772 88 P CB 0.527 32.301 31.700 0.124 0.000 0.855 89 T N 0.532 115.261 114.554 0.292 0.000 2.759 89 T HA -0.141 4.209 4.350 -0.000 0.000 0.269 89 T C 1.505 176.331 174.700 0.210 0.000 1.042 89 T CA 2.000 64.277 62.100 0.295 0.000 1.140 89 T CB -0.890 68.158 68.868 0.300 0.000 0.864 89 T HN 0.481 nan 8.240 nan 0.000 0.455 90 T N 1.357 115.986 114.554 0.126 0.000 3.007 90 T HA -0.014 4.336 4.350 -0.000 0.000 0.270 90 T C 1.819 176.515 174.700 -0.006 0.000 1.107 90 T CA 0.763 62.889 62.100 0.043 0.000 1.118 90 T CB -0.103 68.780 68.868 0.025 0.000 0.889 90 T HN 0.431 nan 8.240 nan 0.000 0.506 91 K N 0.309 120.652 120.400 -0.095 0.000 2.097 91 K HA -0.115 4.205 4.320 -0.000 0.000 0.206 91 K C 1.090 177.432 176.600 -0.430 0.000 1.049 91 K CA 1.407 57.482 56.287 -0.354 0.000 0.933 91 K CB -0.060 32.055 32.500 -0.641 0.000 0.717 91 K HN 0.467 nan 8.250 nan 0.000 0.442 92 Y N -2.779 117.559 120.300 0.062 0.000 2.442 92 Y HA 0.115 4.665 4.550 -0.000 0.000 0.250 92 Y C 0.307 176.260 175.900 0.088 0.000 1.113 92 Y CA -0.668 57.454 58.100 0.036 0.000 1.273 92 Y CB 0.555 39.009 38.460 -0.010 0.000 1.138 92 Y HN 0.106 nan 8.280 nan 0.000 0.522 93 W N 2.922 124.221 121.300 -0.002 0.000 2.291 93 W HA 0.423 5.082 4.660 -0.000 0.000 0.288 93 W C -2.564 173.900 176.519 -0.091 0.000 0.976 93 W CA -3.705 53.598 57.345 -0.070 0.000 1.744 93 W CB 0.992 30.361 29.460 -0.151 0.000 1.815 93 W HN -0.092 nan 8.180 nan 0.000 0.396 94 P HA -0.163 nan 4.420 nan 0.000 0.222 94 P C 1.046 178.311 177.300 -0.059 0.000 1.147 94 P CA 1.670 64.785 63.100 0.025 0.000 0.790 94 P CB 0.525 32.245 31.700 0.034 0.000 0.780 95 E N -0.935 119.216 120.200 -0.081 0.000 2.418 95 E HA -0.045 4.305 4.350 -0.000 0.000 0.197 95 E C 0.588 176.907 176.600 -0.468 0.000 1.026 95 E CA 0.275 56.547 56.400 -0.213 0.000 0.862 95 E CB -0.700 28.937 29.700 -0.104 0.000 0.799 95 E HN 0.146 nan 8.360 nan 0.000 0.518 96 L N 1.613 122.427 121.223 -0.682 0.000 2.387 96 L HA 0.137 4.477 4.340 -0.000 0.000 0.267 96 L C 0.692 177.340 176.870 -0.370 0.000 1.197 96 L CA 0.326 54.706 54.840 -0.767 0.000 1.070 96 L CB -0.071 41.311 42.059 -1.128 0.000 1.349 96 L HN 0.025 nan 8.230 nan 0.000 0.422 97 T N -0.154 114.269 114.554 -0.218 0.000 3.060 97 T HA 0.381 4.731 4.350 -0.000 0.000 0.249 97 T C 0.896 175.606 174.700 0.017 0.000 1.079 97 T CA 0.223 62.278 62.100 -0.075 0.000 1.013 97 T CB 0.024 68.854 68.868 -0.063 0.000 0.975 97 T HN 0.534 nan 8.240 nan 0.000 0.518 98 A N 2.708 125.564 122.820 0.060 0.000 2.498 98 A HA 0.310 4.630 4.320 -0.000 0.000 0.239 98 A C 1.620 179.327 177.584 0.205 0.000 1.068 98 A CA -0.188 51.937 52.037 0.146 0.000 0.766 98 A CB 0.274 19.396 19.000 0.204 0.000 1.003 98 A HN 0.629 nan 8.150 nan 0.000 0.497 99 K N 1.652 122.117 120.400 0.108 0.000 2.280 99 K HA -0.210 4.110 4.320 -0.000 0.000 0.202 99 K C 1.341 177.981 176.600 0.068 0.000 1.047 99 K CA 1.495 57.829 56.287 0.079 0.000 0.942 99 K CB -0.055 32.462 32.500 0.028 0.000 0.739 99 K HN 0.806 nan 8.250 nan 0.000 0.457 100 Q N 0.231 120.047 119.800 0.026 0.000 2.500 100 Q HA -0.141 4.199 4.340 -0.000 0.000 0.213 100 Q C 0.670 176.590 176.000 -0.135 0.000 0.974 100 Q CA 0.994 56.719 55.803 -0.130 0.000 0.918 100 Q CB -0.351 28.192 28.738 -0.325 0.000 0.980 100 Q HN 0.594 nan 8.270 nan 0.000 0.505 101 W N 1.633 122.988 121.300 0.091 0.000 3.197 101 W HA 0.212 4.872 4.660 -0.000 0.000 0.274 101 W C -0.071 176.513 176.519 0.108 0.000 1.297 101 W CA -0.636 56.788 57.345 0.131 0.000 1.662 101 W CB 0.156 29.675 29.460 0.099 0.000 1.106 101 W HN 0.064 nan 8.180 nan 0.000 0.663 102 N N 0.401 119.239 118.700 0.230 0.000 2.440 102 N HA 0.301 5.041 4.740 -0.000 0.000 0.265 102 N C 1.050 176.652 175.510 0.154 0.000 1.239 102 N CA 1.714 54.865 53.050 0.169 0.000 0.909 102 N CB 0.499 39.051 38.487 0.109 0.000 1.066 102 N HN 0.175 nan 8.380 nan 0.000 0.474 103 G N 2.059 110.970 108.800 0.186 0.000 2.195 103 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.246 103 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.246 103 G C 0.143 175.224 174.900 0.301 0.000 0.984 103 G CA -0.455 44.769 45.100 0.206 0.000 0.633 103 G HN 0.524 nan 8.290 nan 0.000 0.525 104 I N 3.093 123.856 120.570 0.321 0.000 2.322 104 I HA 0.373 4.543 4.170 -0.000 0.000 0.292 104 I C 1.229 177.642 176.117 0.493 0.000 1.060 104 I CA 0.284 61.853 61.300 0.447 0.000 1.309 104 I CB 0.921 39.135 38.000 0.357 0.000 1.415 104 I HN 0.317 nan 8.210 nan 0.000 0.492 105 T N 3.028 117.899 114.554 0.528 0.000 2.923 105 T HA 0.449 4.799 4.350 -0.000 0.000 0.281 105 T C 1.231 176.056 174.700 0.209 0.000 0.995 105 T CA -0.880 61.366 62.100 0.243 0.000 0.985 105 T CB 1.465 70.349 68.868 0.026 0.000 1.114 105 T HN 0.414 nan 8.240 nan 0.000 0.548 106 L N 0.328 121.669 121.223 0.198 0.000 2.127 106 L HA -0.033 4.307 4.340 -0.000 0.000 0.211 106 L C 2.536 179.413 176.870 0.011 0.000 1.089 106 L CA 0.852 55.819 54.840 0.212 0.000 0.757 106 L CB -0.817 41.410 42.059 0.280 0.000 0.899 106 L HN 0.587 nan 8.230 nan 0.000 0.434 107 L N -0.197 120.972 121.223 -0.091 0.000 2.012 107 L HA -0.266 4.074 4.340 -0.000 0.000 0.210 107 L C 2.407 179.220 176.870 -0.095 0.000 1.073 107 L CA 2.007 56.722 54.840 -0.207 0.000 0.748 107 L CB -0.704 41.236 42.059 -0.197 0.000 0.891 107 L HN 0.241 nan 8.230 nan 0.000 0.431 108 H N -1.128 118.002 119.070 0.100 0.000 2.319 108 H HA -0.149 4.407 4.556 -0.000 0.000 0.299 108 H C 2.240 177.564 175.328 -0.005 0.000 1.092 108 H CA 1.689 57.789 56.048 0.086 0.000 1.302 108 H CB -0.174 29.664 29.762 0.126 0.000 1.373 108 H HN 0.321 nan 8.280 nan 0.000 0.497 109 L N 0.133 121.442 121.223 0.144 0.000 2.017 109 L HA -0.178 4.162 4.340 -0.000 0.000 0.208 109 L C 2.823 179.602 176.870 -0.151 0.000 1.073 109 L CA 0.902 55.786 54.840 0.073 0.000 0.745 109 L CB -0.511 41.660 42.059 0.188 0.000 0.894 109 L HN 0.345 nan 8.230 nan 0.000 0.432 110 A N -0.303 122.247 122.820 -0.451 0.000 2.015 110 A HA -0.144 4.175 4.320 -0.000 0.000 0.219 110 A C 2.083 179.240 177.584 -0.712 0.000 1.163 110 A CA 1.967 53.496 52.037 -0.847 0.000 0.646 110 A CB -0.639 17.424 19.000 -1.562 0.000 0.806 110 A HN 0.533 nan 8.150 nan 0.000 0.448 111 T N -6.877 107.375 114.554 -0.503 0.000 3.132 111 T HA 0.330 4.680 4.350 -0.000 0.000 0.274 111 T C 0.189 174.685 174.700 -0.339 0.000 1.011 111 T CA 0.206 62.048 62.100 -0.430 0.000 0.899 111 T CB -0.385 68.526 68.868 0.072 0.000 1.089 111 T HN 0.630 nan 8.240 nan 0.000 0.543 112 Y N 0.940 121.221 120.300 -0.031 0.000 4.366 112 Y HA -0.245 4.305 4.550 -0.000 0.000 0.236 112 Y C 1.230 177.086 175.900 -0.074 0.000 1.142 112 Y CA 0.470 58.550 58.100 -0.034 0.000 2.024 112 Y CB -3.102 35.352 38.460 -0.010 0.000 1.621 112 Y HN 0.605 nan 8.280 nan 0.000 0.694 113 T N -4.398 110.143 114.554 -0.021 0.000 3.174 113 T HA 0.676 5.026 4.350 -0.000 0.000 0.269 113 T C 1.501 176.147 174.700 -0.090 0.000 1.017 113 T CA 0.225 62.224 62.100 -0.168 0.000 0.899 113 T CB 0.538 69.056 68.868 -0.583 0.000 1.077 113 T HN 0.476 nan 8.240 nan 0.000 0.552 114 A N 1.391 124.223 122.820 0.021 0.000 2.121 114 A HA 0.548 4.868 4.320 -0.000 0.000 0.218 114 A C 1.881 179.506 177.584 0.070 0.000 1.154 114 A CA 0.654 52.683 52.037 -0.014 0.000 0.679 114 A CB -0.842 18.156 19.000 -0.004 0.000 0.795 114 A HN 1.482 nan 8.150 nan 0.000 0.458 115 G N -3.061 105.859 108.800 0.201 0.000 2.247 115 G HA2 0.404 4.364 3.960 -0.000 0.000 0.111 115 G HA3 0.404 4.364 3.960 -0.000 0.000 0.111 115 G C 0.981 176.202 174.900 0.535 0.000 1.045 115 G CA 0.333 45.664 45.100 0.385 0.000 0.715 115 G HN 1.991 nan 8.290 nan 0.000 0.485 116 G N -0.905 108.228 108.800 0.555 0.000 2.141 116 G HA2 -0.100 3.860 3.960 -0.000 0.000 0.195 116 G HA3 -0.100 3.860 3.960 -0.000 0.000 0.195 116 G C 0.451 175.611 174.900 0.434 0.000 1.012 116 G CA 0.013 45.392 45.100 0.465 0.000 0.696 116 G HN 1.287 nan 8.290 nan 0.000 0.508 117 L N 1.768 123.099 121.223 0.180 0.000 2.525 117 L HA 0.248 4.588 4.340 -0.000 0.000 0.278 117 L C -0.922 176.006 176.870 0.095 0.000 1.218 117 L CA -1.190 53.556 54.840 -0.157 0.000 0.878 117 L CB 0.407 42.288 42.059 -0.297 0.000 1.127 117 L HN 0.103 nan 8.230 nan 0.000 0.492 118 P HA -0.002 nan 4.420 nan 0.000 0.274 118 P C 0.574 177.947 177.300 0.122 0.000 1.231 118 P CA -0.584 62.619 63.100 0.173 0.000 0.790 118 P CB 1.208 33.043 31.700 0.224 0.000 0.951 119 L N 1.990 123.274 121.223 0.103 0.000 2.034 119 L HA -0.226 4.114 4.340 -0.000 0.000 0.217 119 L C 1.024 177.926 176.870 0.054 0.000 1.077 119 L CA 2.197 57.081 54.840 0.072 0.000 0.769 119 L CB -0.795 41.317 42.059 0.089 0.000 0.890 119 L HN 0.376 nan 8.230 nan 0.000 0.435 120 Q N -1.648 118.180 119.800 0.048 0.000 2.365 120 Q HA 0.525 4.865 4.340 -0.000 0.000 0.269 120 Q C -0.678 175.296 176.000 -0.043 0.000 1.061 120 Q CA -0.691 55.121 55.803 0.015 0.000 0.816 120 Q CB 2.068 30.803 28.738 -0.004 0.000 1.325 120 Q HN 0.140 nan 8.270 nan 0.000 0.446 121 V N 4.193 124.046 119.914 -0.101 0.000 2.521 121 V HA 0.188 4.308 4.120 -0.000 0.000 0.286 121 V C -1.977 173.931 176.094 -0.311 0.000 1.034 121 V CA -1.226 60.855 62.300 -0.366 0.000 1.045 121 V CB 0.574 32.216 31.823 -0.302 0.000 0.974 121 V HN 0.789 nan 8.190 nan 0.000 0.480 122 P HA -0.034 nan 4.420 nan 0.000 0.264 122 P C 0.609 177.816 177.300 -0.155 0.000 1.179 122 P CA 0.246 63.216 63.100 -0.217 0.000 0.763 122 P CB 0.476 32.049 31.700 -0.212 0.000 0.806 123 D N 1.513 121.867 120.400 -0.076 0.000 2.218 123 D HA -0.175 4.465 4.640 -0.000 0.000 0.204 123 D C 1.122 177.400 176.300 -0.037 0.000 0.976 123 D CA 1.339 55.314 54.000 -0.041 0.000 0.853 123 D CB 0.082 40.874 40.800 -0.015 0.000 0.939 123 D HN 0.355 nan 8.370 nan 0.000 0.481 124 E N -0.660 119.514 120.200 -0.044 0.000 2.347 124 E HA 0.043 4.393 4.350 -0.000 0.000 0.196 124 E C 0.086 176.667 176.600 -0.031 0.000 1.008 124 E CA 0.095 56.480 56.400 -0.025 0.000 0.852 124 E CB 0.323 30.016 29.700 -0.012 0.000 0.783 124 E HN 0.102 nan 8.360 nan 0.000 0.505 125 V N 0.878 120.748 119.914 -0.073 0.000 2.470 125 V HA 0.320 4.440 4.120 -0.000 0.000 0.276 125 V C 0.915 176.986 176.094 -0.038 0.000 1.040 125 V CA 0.943 63.201 62.300 -0.069 0.000 1.008 125 V CB 0.695 32.409 31.823 -0.182 0.000 0.990 125 V HN 0.300 nan 8.190 nan 0.000 0.477 126 K N 3.647 124.046 120.400 -0.003 0.000 2.537 126 K HA 0.351 4.671 4.320 -0.000 0.000 0.216 126 K C 1.111 177.721 176.600 0.018 0.000 1.349 126 K CA 0.627 56.917 56.287 0.004 0.000 0.841 126 K CB -0.388 32.117 32.500 0.009 0.000 1.659 126 K HN 0.751 nan 8.250 nan 0.000 0.435 127 S N 0.899 116.618 115.700 0.031 0.000 2.600 127 S HA 0.190 4.660 4.470 -0.000 0.000 0.265 127 S C 1.216 175.856 174.600 0.066 0.000 1.325 127 S CA 0.223 58.447 58.200 0.040 0.000 1.002 127 S CB 1.426 64.652 63.200 0.043 0.000 0.921 127 S HN 0.395 nan 8.310 nan 0.000 0.554 128 S N 1.101 116.839 115.700 0.064 0.000 2.399 128 S HA -0.114 4.356 4.470 -0.000 0.000 0.231 128 S C 2.091 176.788 174.600 0.162 0.000 1.022 128 S CA 1.263 59.521 58.200 0.098 0.000 0.983 128 S CB -0.732 62.506 63.200 0.064 0.000 0.803 128 S HN 0.792 nan 8.310 nan 0.000 0.480 129 S N 1.425 117.198 115.700 0.122 0.000 2.356 129 S HA -0.168 4.302 4.470 -0.000 0.000 0.223 129 S C 1.522 176.206 174.600 0.139 0.000 1.032 129 S CA 1.403 59.677 58.200 0.123 0.000 1.005 129 S CB -0.514 62.736 63.200 0.083 0.000 0.867 129 S HN 0.406 nan 8.310 nan 0.000 0.449 130 D N 0.832 121.305 120.400 0.122 0.000 2.117 130 D HA -0.063 4.577 4.640 -0.000 0.000 0.197 130 D C 1.881 178.298 176.300 0.194 0.000 0.987 130 D CA 0.725 54.800 54.000 0.124 0.000 0.829 130 D CB -0.471 40.376 40.800 0.078 0.000 0.961 130 D HN 0.304 nan 8.370 nan 0.000 0.460 131 L N 0.543 121.909 121.223 0.237 0.000 2.027 131 L HA -0.091 4.249 4.340 -0.000 0.000 0.206 131 L C 2.200 179.406 176.870 0.561 0.000 1.074 131 L CA 1.075 56.148 54.840 0.387 0.000 0.745 131 L CB -0.717 41.562 42.059 0.366 0.000 0.898 131 L HN 0.012 nan 8.230 nan 0.000 0.433 132 L N -0.313 121.206 121.223 0.494 0.000 2.012 132 L HA -0.247 4.093 4.340 -0.000 0.000 0.210 132 L C 2.709 179.658 176.870 0.131 0.000 1.073 132 L CA 1.990 56.992 54.840 0.271 0.000 0.748 132 L CB -0.669 41.496 42.059 0.177 0.000 0.891 132 L HN 0.280 nan 8.230 nan 0.000 0.431 133 R N -1.530 119.066 120.500 0.161 0.000 2.083 133 R HA -0.247 4.093 4.340 -0.000 0.000 0.237 133 R C 2.309 178.707 176.300 0.164 0.000 1.137 133 R CA 2.051 58.227 56.100 0.127 0.000 0.951 133 R CB -0.631 29.746 30.300 0.128 0.000 0.851 133 R HN 0.481 nan 8.270 nan 0.000 0.434 134 F N 0.113 120.101 119.950 0.062 0.000 2.069 134 F HA -0.237 4.290 4.527 -0.000 0.000 0.298 134 F C 1.472 177.303 175.800 0.051 0.000 1.113 134 F CA 1.572 59.572 58.000 -0.000 0.000 1.214 134 F CB -0.665 38.260 39.000 -0.125 0.000 0.978 134 F HN 0.027 nan 8.300 nan 0.000 0.474 135 Y N 0.503 120.791 120.300 -0.021 0.000 2.242 135 Y HA -0.177 4.373 4.550 -0.000 0.000 0.291 135 Y C 2.633 178.661 175.900 0.212 0.000 1.137 135 Y CA 1.554 59.661 58.100 0.011 0.000 1.181 135 Y CB -0.916 37.531 38.460 -0.020 0.000 0.989 135 Y HN 0.152 nan 8.280 nan 0.000 0.527 136 Q N -0.005 119.886 119.800 0.152 0.000 2.224 136 Q HA -0.150 4.189 4.340 -0.000 0.000 0.203 136 Q C 1.219 177.326 176.000 0.178 0.000 0.970 136 Q CA 1.260 57.148 55.803 0.142 0.000 0.865 136 Q CB -0.445 28.290 28.738 -0.005 0.000 0.922 136 Q HN 0.669 nan 8.270 nan 0.000 0.445 137 N N -0.850 117.920 118.700 0.116 0.000 2.353 137 N HA -0.034 4.706 4.740 -0.000 0.000 0.185 137 N C -0.111 175.419 175.510 0.033 0.000 1.098 137 N CA -0.389 52.696 53.050 0.058 0.000 0.872 137 N CB 0.232 38.749 38.487 0.049 0.000 0.970 137 N HN 0.159 nan 8.380 nan 0.000 0.467 138 W N 2.638 123.853 121.300 -0.142 0.000 2.253 138 W HA 0.137 4.797 4.660 -0.000 0.000 0.322 138 W C -0.658 175.754 176.519 -0.179 0.000 1.342 138 W CA -0.127 57.082 57.345 -0.226 0.000 1.218 138 W CB 0.611 29.864 29.460 -0.345 0.000 1.205 138 W HN -0.104 nan 8.180 nan 0.000 0.551 139 Q N 8.045 127.193 119.800 -1.086 0.000 2.331 139 Q HA 0.351 4.691 4.340 -0.000 0.000 0.267 139 Q C -2.148 172.926 176.000 -1.544 0.000 1.006 139 Q CA -2.109 53.034 55.803 -1.101 0.000 0.818 139 Q CB 1.554 29.956 28.738 -0.560 0.000 1.276 139 Q HN 0.393 nan 8.270 nan 0.000 0.450 140 P HA 0.146 nan 4.420 nan 0.000 0.275 140 P C -0.216 176.692 177.300 -0.654 0.000 1.228 140 P CA -0.038 62.395 63.100 -1.111 0.000 0.786 140 P CB 1.036 32.276 31.700 -0.767 0.000 0.927 141 A N 2.607 125.051 122.820 -0.626 0.000 2.016 141 A HA 0.079 4.399 4.320 -0.000 0.000 0.217 141 A C 0.424 177.339 177.584 -1.116 0.000 1.162 141 A CA 0.753 52.160 52.037 -1.050 0.000 0.662 141 A CB -0.286 17.646 19.000 -1.780 0.000 0.812 141 A HN 0.595 nan 8.150 nan 0.000 0.450 142 W N -3.020 118.234 121.300 -0.077 0.000 3.042 142 W HA 0.627 5.287 4.660 -0.000 0.000 0.342 142 W C 0.002 176.468 176.519 -0.090 0.000 1.240 142 W CA -1.232 56.070 57.345 -0.071 0.000 1.166 142 W CB 0.908 30.339 29.460 -0.049 0.000 1.469 142 W HN 0.134 nan 8.180 nan 0.000 0.579 143 A N 2.237 125.149 122.820 0.155 0.000 2.406 143 A HA 0.511 4.831 4.320 -0.000 0.000 0.243 143 A C -2.240 175.351 177.584 0.012 0.000 1.082 143 A CA -0.724 51.340 52.037 0.046 0.000 0.786 143 A CB -0.800 18.224 19.000 0.040 0.000 1.029 143 A HN 0.135 nan 8.150 nan 0.000 0.495 144 P HA 0.300 nan 4.420 nan 0.000 0.268 144 P C 0.758 177.916 177.300 -0.236 0.000 1.205 144 P CA 1.672 64.586 63.100 -0.310 0.000 0.771 144 P CB 0.579 32.019 31.700 -0.433 0.000 0.858 145 G N 1.715 110.330 108.800 -0.308 0.000 2.160 145 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.244 145 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.244 145 G C 0.626 175.475 174.900 -0.085 0.000 1.022 145 G CA 0.644 45.725 45.100 -0.032 0.000 0.741 145 G HN 0.669 nan 8.290 nan 0.000 0.508 146 T N -4.946 109.509 114.554 -0.165 0.000 3.028 146 T HA 0.436 4.786 4.350 -0.000 0.000 0.250 146 T C 0.535 175.083 174.700 -0.254 0.000 0.979 146 T CA 0.775 62.800 62.100 -0.125 0.000 1.004 146 T CB 0.644 69.483 68.868 -0.049 0.000 1.120 146 T HN 0.300 nan 8.240 nan 0.000 0.482 147 Q N 0.960 120.559 119.800 -0.334 0.000 2.347 147 Q HA 0.469 4.809 4.340 -0.000 0.000 0.271 147 Q C -1.363 174.428 176.000 -0.348 0.000 1.064 147 Q CA -0.516 55.009 55.803 -0.465 0.000 0.800 147 Q CB 3.180 31.336 28.738 -0.970 0.000 1.304 147 Q HN 0.364 nan 8.270 nan 0.000 0.438 148 R N 2.228 122.557 120.500 -0.285 0.000 2.221 148 R HA 0.475 4.815 4.340 -0.000 0.000 0.327 148 R C -1.125 175.140 176.300 -0.058 0.000 1.033 148 R CA -0.492 55.529 56.100 -0.131 0.000 0.887 148 R CB 0.392 30.656 30.300 -0.060 0.000 1.057 148 R HN 0.448 nan 8.270 nan 0.000 0.455 149 L N 6.160 127.419 121.223 0.060 0.000 2.415 149 L HA 0.255 4.595 4.340 -0.000 0.000 0.268 149 L C -1.366 175.540 176.870 0.060 0.000 0.984 149 L CA -0.724 54.178 54.840 0.103 0.000 0.853 149 L CB 0.984 43.193 42.059 0.250 0.000 1.215 149 L HN 0.602 nan 8.230 nan 0.000 0.419 150 Y N 4.789 124.957 120.300 -0.219 0.000 2.805 150 Y HA 0.350 4.900 4.550 -0.000 0.000 0.331 150 Y C 0.065 175.781 175.900 -0.306 0.000 1.241 150 Y CA 0.991 58.737 58.100 -0.590 0.000 1.546 150 Y CB 0.428 38.606 38.460 -0.468 0.000 1.248 150 Y HN 0.817 nan 8.280 nan 0.000 0.559 151 A N 5.536 127.928 122.820 -0.713 0.000 2.491 151 A HA 0.292 4.612 4.320 -0.000 0.000 0.293 151 A C -0.063 177.433 177.584 -0.146 0.000 1.047 151 A CA -0.901 51.001 52.037 -0.224 0.000 0.735 151 A CB 0.825 19.839 19.000 0.023 0.000 1.281 151 A HN 0.776 nan 8.150 nan 0.000 0.398 152 N N 1.077 119.730 118.700 -0.079 0.000 2.223 152 N HA -0.146 4.593 4.740 -0.000 0.000 0.185 152 N C 2.034 177.613 175.510 0.115 0.000 1.016 152 N CA 1.999 55.075 53.050 0.043 0.000 0.863 152 N CB -0.063 38.495 38.487 0.118 0.000 0.983 152 N HN 0.823 nan 8.380 nan 0.000 0.429 153 S N -1.389 114.397 115.700 0.143 0.000 2.481 153 S HA 0.041 4.510 4.470 -0.000 0.000 0.231 153 S C 1.987 176.771 174.600 0.306 0.000 0.996 153 S CA 0.953 59.313 58.200 0.267 0.000 0.942 153 S CB -0.056 63.321 63.200 0.295 0.000 0.768 153 S HN 0.192 nan 8.310 nan 0.000 0.520 154 S N 1.118 116.939 115.700 0.201 0.000 2.339 154 S HA 0.255 4.725 4.470 -0.000 0.000 0.213 154 S C 1.644 176.332 174.600 0.146 0.000 1.033 154 S CA 0.464 58.770 58.200 0.177 0.000 0.950 154 S CB -0.544 62.773 63.200 0.195 0.000 0.893 154 S HN 0.559 nan 8.310 nan 0.000 0.492 155 I N 1.265 121.918 120.570 0.140 0.000 2.394 155 I HA 0.005 4.175 4.170 -0.000 0.000 0.251 155 I C 2.190 178.382 176.117 0.126 0.000 1.136 155 I CA 1.161 62.524 61.300 0.105 0.000 1.425 155 I CB -0.630 37.415 38.000 0.074 0.000 1.079 155 I HN 0.487 nan 8.210 nan 0.000 0.425 156 G N 1.045 109.893 108.800 0.079 0.000 2.440 156 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.218 156 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.218 156 G C 1.549 176.413 174.900 -0.060 0.000 1.154 156 G CA 1.009 46.095 45.100 -0.023 0.000 0.767 156 G HN 0.390 nan 8.290 nan 0.000 0.552 157 L N -0.416 120.819 121.223 0.021 0.000 2.109 157 L HA 0.189 4.529 4.340 -0.000 0.000 0.207 157 L C 2.414 179.247 176.870 -0.062 0.000 1.086 157 L CA 1.344 56.134 54.840 -0.083 0.000 0.760 157 L CB -0.737 41.225 42.059 -0.161 0.000 0.910 157 L HN 0.213 nan 8.230 nan 0.000 0.437 158 F N 0.572 120.463 119.950 -0.098 0.000 2.087 158 F HA -0.173 4.354 4.527 -0.000 0.000 0.299 158 F C 2.173 177.912 175.800 -0.103 0.000 1.100 158 F CA 1.963 59.907 58.000 -0.094 0.000 1.226 158 F CB -1.061 37.893 39.000 -0.077 0.000 0.983 158 F HN 0.131 nan 8.300 nan 0.000 0.479 159 G N -0.544 108.152 108.800 -0.173 0.000 2.418 159 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.217 159 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.217 159 G C 1.832 176.591 174.900 -0.234 0.000 1.158 159 G CA 0.954 45.923 45.100 -0.219 0.000 0.771 159 G HN 0.675 nan 8.290 nan 0.000 0.545 160 A N 0.598 123.225 122.820 -0.322 0.000 1.902 160 A HA 0.077 4.397 4.320 -0.000 0.000 0.217 160 A C 2.424 179.837 177.584 -0.286 0.000 1.181 160 A CA 1.365 53.225 52.037 -0.295 0.000 0.623 160 A CB -0.388 18.400 19.000 -0.353 0.000 0.818 160 A HN 0.360 nan 8.150 nan 0.000 0.443 161 L N -1.049 119.977 121.223 -0.329 0.000 2.179 161 L HA -0.071 4.269 4.340 -0.000 0.000 0.208 161 L C 2.987 179.606 176.870 -0.418 0.000 1.096 161 L CA 0.744 55.396 54.840 -0.314 0.000 0.779 161 L CB -0.581 41.346 42.059 -0.221 0.000 0.922 161 L HN 0.414 nan 8.230 nan 0.000 0.443 162 A N 0.452 122.942 122.820 -0.549 0.000 1.978 162 A HA -0.143 4.177 4.320 -0.000 0.000 0.220 162 A C 2.126 179.490 177.584 -0.366 0.000 1.170 162 A CA 1.884 53.556 52.037 -0.607 0.000 0.636 162 A CB -0.685 17.798 19.000 -0.861 0.000 0.810 162 A HN 0.350 nan 8.150 nan 0.000 0.448 163 V N -4.195 115.569 119.914 -0.251 0.000 3.649 163 V HA 0.105 4.225 4.120 -0.000 0.000 0.275 163 V C 1.646 177.659 176.094 -0.135 0.000 1.281 163 V CA 0.742 62.940 62.300 -0.171 0.000 1.143 163 V CB -0.350 31.403 31.823 -0.116 0.000 0.892 163 V HN 0.194 nan 8.190 nan 0.000 0.441 164 K N 1.631 121.945 120.400 -0.142 0.000 2.002 164 K HA -0.020 4.300 4.320 -0.000 0.000 0.209 164 K C 0.233 176.814 176.600 -0.031 0.000 1.048 164 K CA 1.933 58.174 56.287 -0.077 0.000 0.930 164 K CB -1.881 30.594 32.500 -0.042 0.000 0.714 164 K HN 0.456 nan 8.250 nan 0.000 0.438 165 P HA -0.138 nan 4.420 nan 0.000 0.216 165 P C 1.464 178.754 177.300 -0.016 0.000 1.150 165 P CA 1.706 64.819 63.100 0.022 0.000 0.843 165 P CB -0.119 31.609 31.700 0.047 0.000 0.787 166 S N -1.454 114.217 115.700 -0.049 0.000 2.447 166 S HA 0.006 4.476 4.470 -0.000 0.000 0.233 166 S C 1.939 176.509 174.600 -0.051 0.000 1.006 166 S CA 1.133 59.299 58.200 -0.057 0.000 0.957 166 S CB -1.609 61.539 63.200 -0.086 0.000 0.773 166 S HN 0.318 nan 8.310 nan 0.000 0.507 167 G N 0.714 109.485 108.800 -0.048 0.000 2.189 167 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.267 167 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.267 167 G C 0.053 174.921 174.900 -0.054 0.000 0.975 167 G CA 0.693 45.766 45.100 -0.044 0.000 0.644 167 G HN 0.597 nan 8.290 nan 0.000 0.537 168 L N 1.560 122.741 121.223 -0.070 0.000 2.439 168 L HA 0.527 4.867 4.340 -0.000 0.000 0.261 168 L C 1.578 178.403 176.870 -0.075 0.000 1.153 168 L CA -0.134 54.659 54.840 -0.078 0.000 0.808 168 L CB 1.097 43.092 42.059 -0.107 0.000 1.126 168 L HN 0.410 nan 8.230 nan 0.000 0.460 169 S N 0.552 116.214 115.700 -0.065 0.000 2.589 169 S HA 0.018 4.488 4.470 -0.000 0.000 0.265 169 S C 0.855 175.429 174.600 -0.043 0.000 1.342 169 S CA -0.333 57.843 58.200 -0.040 0.000 1.005 169 S CB 0.392 63.576 63.200 -0.026 0.000 0.909 169 S HN 0.538 nan 8.310 nan 0.000 0.555 170 F N 1.077 120.938 119.950 -0.149 0.000 2.126 170 F HA -0.086 4.441 4.527 -0.000 0.000 0.299 170 F C 2.522 178.212 175.800 -0.183 0.000 1.096 170 F CA 2.230 60.126 58.000 -0.174 0.000 1.255 170 F CB -0.420 38.475 39.000 -0.174 0.000 0.997 170 F HN 0.948 nan 8.300 nan 0.000 0.479 171 E N -0.482 119.705 120.200 -0.022 0.000 2.058 171 E HA -0.262 4.088 4.350 -0.000 0.000 0.194 171 E C 2.191 178.653 176.600 -0.230 0.000 0.997 171 E CA 1.373 57.704 56.400 -0.115 0.000 0.801 171 E CB -0.119 29.586 29.700 0.008 0.000 0.746 171 E HN 0.389 nan 8.360 nan 0.000 0.450 172 Q N -0.012 119.689 119.800 -0.165 0.000 2.084 172 Q HA -0.129 4.211 4.340 -0.000 0.000 0.202 172 Q C 2.081 177.931 176.000 -0.250 0.000 0.978 172 Q CA 1.428 57.130 55.803 -0.169 0.000 0.844 172 Q CB -0.474 28.199 28.738 -0.107 0.000 0.898 172 Q HN 0.385 nan 8.270 nan 0.000 0.426 173 A N 0.530 123.169 122.820 -0.302 0.000 1.877 173 A HA -0.207 4.112 4.320 -0.000 0.000 0.216 173 A C 2.155 179.456 177.584 -0.473 0.000 1.186 173 A CA 1.888 53.718 52.037 -0.345 0.000 0.620 173 A CB -0.494 18.294 19.000 -0.354 0.000 0.822 173 A HN 0.349 nan 8.150 nan 0.000 0.443 174 M N -0.151 119.030 119.600 -0.698 0.000 2.117 174 M HA -0.195 4.285 4.480 -0.000 0.000 0.262 174 M C 2.156 177.867 176.300 -0.982 0.000 1.065 174 M CA 1.989 56.733 55.300 -0.927 0.000 1.114 174 M CB -0.554 31.339 32.600 -1.178 0.000 1.361 174 M HN 0.533 nan 8.290 nan 0.000 0.408 175 Q N -1.169 118.206 119.800 -0.709 0.000 2.050 175 Q HA -0.157 4.183 4.340 -0.000 0.000 0.202 175 Q C 1.940 177.769 176.000 -0.285 0.000 0.980 175 Q CA 2.284 57.817 55.803 -0.450 0.000 0.840 175 Q CB -0.453 28.140 28.738 -0.242 0.000 0.898 175 Q HN 0.766 nan 8.270 nan 0.000 0.424 176 T N -2.122 112.282 114.554 -0.249 0.000 3.043 176 T HA 0.055 4.405 4.350 -0.000 0.000 0.263 176 T C 1.671 176.284 174.700 -0.146 0.000 1.094 176 T CA 0.402 62.406 62.100 -0.161 0.000 1.127 176 T CB 0.109 68.898 68.868 -0.132 0.000 0.905 176 T HN 0.120 nan 8.240 nan 0.000 0.490 177 R N -0.215 120.168 120.500 -0.194 0.000 2.279 177 R HA 0.386 4.726 4.340 -0.000 0.000 0.195 177 R C 1.585 177.826 176.300 -0.098 0.000 0.905 177 R CA 0.247 56.264 56.100 -0.139 0.000 1.044 177 R CB 0.507 30.712 30.300 -0.157 0.000 1.056 177 R HN 0.283 nan 8.270 nan 0.000 0.535 178 V N -0.853 118.970 119.914 -0.152 0.000 3.054 178 V HA 0.035 4.155 4.120 -0.000 0.000 0.227 178 V C 1.410 177.577 176.094 0.121 0.000 1.252 178 V CA 0.553 62.847 62.300 -0.010 0.000 1.279 178 V CB -0.284 31.512 31.823 -0.045 0.000 1.118 178 V HN -0.012 nan 8.190 nan 0.000 0.504 179 F N 1.509 121.394 119.950 -0.108 0.000 2.102 179 F HA -0.113 4.414 4.527 -0.000 0.000 0.298 179 F C 2.606 178.325 175.800 -0.136 0.000 1.105 179 F CA 1.415 59.315 58.000 -0.166 0.000 1.239 179 F CB -1.152 37.642 39.000 -0.343 0.000 0.991 179 F HN 0.198 nan 8.300 nan 0.000 0.474 180 Q N -0.280 119.547 119.800 0.045 0.000 2.046 180 Q HA -0.128 4.212 4.340 -0.000 0.000 0.200 180 Q C -0.363 175.637 176.000 0.001 0.000 0.975 180 Q CA 1.550 57.342 55.803 -0.017 0.000 0.836 180 Q CB -1.471 27.233 28.738 -0.056 0.000 0.896 180 Q HN 0.265 nan 8.270 nan 0.000 0.428 181 P HA -0.149 nan 4.420 nan 0.000 0.218 181 P C 0.704 178.031 177.300 0.045 0.000 1.148 181 P CA 1.220 64.332 63.100 0.020 0.000 0.822 181 P CB 0.040 31.754 31.700 0.022 0.000 0.784 182 L N -1.445 119.831 121.223 0.089 0.000 2.592 182 L HA 0.144 4.484 4.340 -0.000 0.000 0.227 182 L C 0.451 177.370 176.870 0.081 0.000 1.127 182 L CA 0.113 55.023 54.840 0.117 0.000 0.884 182 L CB -0.651 41.549 42.059 0.234 0.000 1.065 182 L HN -0.048 nan 8.230 nan 0.000 0.457 183 K N 0.864 121.287 120.400 0.037 0.000 3.096 183 K HA -0.169 4.151 4.320 -0.000 0.000 0.266 183 K C -0.292 176.297 176.600 -0.018 0.000 1.043 183 K CA 0.360 56.645 56.287 -0.003 0.000 0.758 183 K CB -1.828 30.674 32.500 0.003 0.000 1.260 183 K HN 0.328 nan 8.250 nan 0.000 0.481 184 L N 1.361 122.563 121.223 -0.036 0.000 2.387 184 L HA 0.111 4.451 4.340 -0.000 0.000 0.267 184 L C 1.029 177.729 176.870 -0.284 0.000 1.197 184 L CA -0.447 54.319 54.840 -0.122 0.000 1.070 184 L CB 0.070 42.030 42.059 -0.166 0.000 1.349 184 L HN 0.154 nan 8.230 nan 0.000 0.422 185 N N 0.295 118.845 118.700 -0.251 0.000 2.412 185 N HA -0.019 4.721 4.740 -0.000 0.000 0.184 185 N C 0.665 175.737 175.510 -0.730 0.000 1.101 185 N CA 0.655 53.441 53.050 -0.441 0.000 0.881 185 N CB 0.232 38.491 38.487 -0.379 0.000 0.969 185 N HN 0.499 nan 8.380 nan 0.000 0.459 186 H N -1.112 117.846 119.070 -0.186 0.000 2.651 186 H HA 0.282 4.837 4.556 -0.000 0.000 0.241 186 H C -0.366 174.833 175.328 -0.215 0.000 1.225 186 H CA -0.099 55.903 56.048 -0.078 0.000 0.942 186 H CB 0.338 30.095 29.762 -0.007 0.000 1.996 186 H HN -0.140 nan 8.280 nan 0.000 0.600 187 T N 0.938 115.144 114.554 -0.580 0.000 2.807 187 T HA 0.359 4.709 4.350 -0.000 0.000 0.279 187 T C -0.743 173.234 174.700 -1.205 0.000 0.993 187 T CA -0.418 61.171 62.100 -0.852 0.000 0.970 187 T CB 1.438 69.577 68.868 -1.215 0.000 0.950 187 T HN 0.244 nan 8.240 nan 0.000 0.441 188 W N 1.808 122.766 121.300 -0.570 0.000 3.217 188 W HA 0.519 5.179 4.660 0.000 0.000 0.323 188 W C 0.588 176.976 176.519 -0.218 0.000 1.216 188 W CA -0.811 56.354 57.345 -0.300 0.000 1.194 188 W CB 1.102 30.403 29.460 -0.265 0.000 1.397 188 W HN 0.494 nan 8.180 nan 0.000 0.537 189 I N 1.505 122.201 120.570 0.210 0.000 2.400 189 I HA -0.057 4.113 4.170 -0.000 0.000 0.248 189 I C 0.349 176.495 176.117 0.049 0.000 1.109 189 I CA 0.895 62.254 61.300 0.098 0.000 1.425 189 I CB -0.062 38.008 38.000 0.117 0.000 1.094 189 I HN 0.284 nan 8.210 nan 0.000 0.425 190 N N 1.388 120.151 118.700 0.106 0.000 2.443 190 N HA 0.247 4.987 4.740 -0.000 0.000 0.269 190 N C -0.837 174.588 175.510 -0.142 0.000 0.985 190 N CA -0.208 52.831 53.050 -0.017 0.000 0.921 190 N CB 2.674 41.155 38.487 -0.010 0.000 1.195 190 N HN -0.197 nan 8.380 nan 0.000 0.492 191 V N 4.867 124.610 119.914 -0.285 0.000 2.479 191 V HA 0.146 4.266 4.120 -0.000 0.000 0.281 191 V C -1.467 174.301 176.094 -0.543 0.000 1.031 191 V CA -0.843 61.144 62.300 -0.522 0.000 1.038 191 V CB 0.379 31.868 31.823 -0.556 0.000 0.981 191 V HN 0.517 nan 8.190 nan 0.000 0.478 192 P HA 0.316 nan 4.420 nan 0.000 0.276 192 P C -2.334 174.742 177.300 -0.375 0.000 1.252 192 P CA -1.940 60.798 63.100 -0.604 0.000 0.802 192 P CB 0.689 31.885 31.700 -0.840 0.000 1.035 193 P HA -0.194 nan 4.420 nan 0.000 0.216 193 P C 1.501 178.726 177.300 -0.126 0.000 1.150 193 P CA 2.177 65.192 63.100 -0.142 0.000 0.843 193 P CB -0.517 31.123 31.700 -0.100 0.000 0.787 194 A N -0.101 122.633 122.820 -0.143 0.000 2.024 194 A HA -0.208 4.112 4.320 -0.000 0.000 0.220 194 A C 2.015 179.550 177.584 -0.082 0.000 1.164 194 A CA 1.559 53.540 52.037 -0.093 0.000 0.643 194 A CB -0.829 18.126 19.000 -0.075 0.000 0.806 194 A HN 0.143 nan 8.150 nan 0.000 0.451 195 E N -0.579 119.530 120.200 -0.151 0.000 2.472 195 E HA -0.007 4.343 4.350 -0.000 0.000 0.196 195 E C 1.421 177.976 176.600 -0.074 0.000 1.033 195 E CA 0.113 56.447 56.400 -0.110 0.000 0.886 195 E CB -0.054 29.532 29.700 -0.190 0.000 0.944 195 E HN 0.743 nan 8.360 nan 0.000 0.492 196 E N 1.430 121.590 120.200 -0.067 0.000 2.097 196 E HA -0.233 4.117 4.350 -0.000 0.000 0.196 196 E C 1.986 178.602 176.600 0.027 0.000 1.000 196 E CA 1.478 57.879 56.400 0.002 0.000 0.804 196 E CB -0.124 29.573 29.700 -0.006 0.000 0.740 196 E HN 0.240 nan 8.360 nan 0.000 0.454 197 K N 0.267 120.677 120.400 0.016 0.000 2.362 197 K HA -0.067 4.253 4.320 -0.000 0.000 0.200 197 K C 1.148 177.769 176.600 0.035 0.000 1.046 197 K CA 1.108 57.414 56.287 0.031 0.000 0.952 197 K CB 0.103 32.617 32.500 0.025 0.000 0.753 197 K HN -0.007 nan 8.250 nan 0.000 0.466 198 N N -0.039 118.678 118.700 0.028 0.000 2.236 198 N HA -0.055 4.685 4.740 -0.000 0.000 0.196 198 N C -0.685 174.856 175.510 0.051 0.000 1.114 198 N CA 0.012 53.077 53.050 0.025 0.000 0.859 198 N CB 0.178 38.666 38.487 0.000 0.000 0.982 198 N HN 0.172 nan 8.380 nan 0.000 0.493 199 Y N 3.138 123.361 120.300 -0.128 0.000 2.585 199 Y HA 0.388 4.938 4.550 -0.000 0.000 0.354 199 Y C 0.227 176.031 175.900 -0.159 0.000 1.024 199 Y CA -1.756 56.231 58.100 -0.189 0.000 1.321 199 Y CB -0.674 37.617 38.460 -0.283 0.000 1.151 199 Y HN -0.044 nan 8.280 nan 0.000 0.525 200 A N 6.144 129.045 122.820 0.135 0.000 2.520 200 A HA 0.067 4.387 4.320 -0.000 0.000 0.235 200 A C -0.432 177.202 177.584 0.083 0.000 1.065 200 A CA -0.266 51.809 52.037 0.064 0.000 0.764 200 A CB 0.067 19.017 19.000 -0.082 0.000 1.002 200 A HN 0.866 nan 8.150 nan 0.000 0.502 201 W N 0.759 122.079 121.300 0.033 0.000 2.218 201 W HA 0.464 5.124 4.660 -0.000 0.000 0.326 201 W C 0.970 177.233 176.519 -0.427 0.000 1.276 201 W CA 0.609 57.785 57.345 -0.282 0.000 1.210 201 W CB 0.944 30.070 29.460 -0.555 0.000 1.143 201 W HN 0.930 nan 8.180 nan 0.000 0.563 202 G N 1.541 110.193 108.800 -0.246 0.000 2.448 202 G HA2 0.456 4.416 3.960 -0.000 0.000 0.285 202 G HA3 0.456 4.416 3.960 -0.000 0.000 0.285 202 G C -2.079 172.454 174.900 -0.612 0.000 1.176 202 G CA -0.455 44.231 45.100 -0.689 0.000 0.852 202 G HN 0.429 nan 8.290 nan 0.000 0.530 203 Y N -0.025 120.191 120.300 -0.140 0.000 2.338 203 Y HA 0.514 5.064 4.550 -0.000 0.000 0.333 203 Y C 0.449 176.340 175.900 -0.014 0.000 0.968 203 Y CA -0.791 57.281 58.100 -0.046 0.000 1.123 203 Y CB 2.196 40.636 38.460 -0.033 0.000 1.165 203 Y HN 0.499 nan 8.280 nan 0.000 0.452 204 R N 2.178 122.742 120.500 0.107 0.000 2.476 204 R HA 0.526 4.865 4.340 -0.000 0.000 0.305 204 R C 0.074 176.419 176.300 0.074 0.000 0.965 204 R CA 0.410 56.561 56.100 0.085 0.000 0.867 204 R CB 1.128 31.465 30.300 0.061 0.000 1.176 204 R HN 0.899 nan 8.270 nan 0.000 0.447 205 E N 2.117 122.358 120.200 0.069 0.000 2.328 205 E HA -0.228 4.122 4.350 -0.000 0.000 0.233 205 E C 0.777 177.409 176.600 0.053 0.000 1.219 205 E CA 1.563 57.992 56.400 0.049 0.000 0.717 205 E CB -2.451 27.269 29.700 0.033 0.000 1.210 205 E HN 1.457 nan 8.360 nan 0.000 0.381 206 G N -3.225 105.626 108.800 0.085 0.000 2.189 206 G HA2 0.129 4.089 3.960 -0.000 0.000 0.267 206 G HA3 0.129 4.089 3.960 -0.000 0.000 0.267 206 G C 0.752 175.740 174.900 0.147 0.000 0.975 206 G CA 1.814 46.968 45.100 0.090 0.000 0.644 206 G HN 2.216 nan 8.290 nan 0.000 0.537 207 K N -0.086 120.378 120.400 0.107 0.000 2.183 207 K HA 0.931 5.251 4.320 -0.000 0.000 0.274 207 K C 0.346 176.907 176.600 -0.064 0.000 1.009 207 K CA 0.432 56.733 56.287 0.024 0.000 0.888 207 K CB 1.292 33.778 32.500 -0.024 0.000 1.078 207 K HN 1.896 nan 8.250 nan 0.000 0.459 208 A N 1.437 124.099 122.820 -0.263 0.000 2.454 208 A HA 0.556 4.876 4.320 -0.000 0.000 0.260 208 A C 0.308 177.664 177.584 -0.380 0.000 1.106 208 A CA 0.226 51.870 52.037 -0.654 0.000 0.780 208 A CB -0.602 17.784 19.000 -1.025 0.000 1.044 208 A HN 1.849 nan 8.150 nan 0.000 0.498 209 V N 1.040 120.872 119.914 -0.137 0.000 2.971 209 V HA 0.648 4.768 4.120 -0.000 0.000 0.309 209 V C -0.692 175.544 176.094 0.238 0.000 1.130 209 V CA -0.820 61.533 62.300 0.088 0.000 0.964 209 V CB 1.198 33.060 31.823 0.065 0.000 1.029 209 V HN 0.953 nan 8.190 nan 0.000 0.427 210 H N 0.850 120.068 119.070 0.246 0.000 2.573 210 H HA 0.681 5.237 4.556 -0.000 0.000 0.351 210 H C -0.332 175.094 175.328 0.163 0.000 1.163 210 H CA -0.956 55.166 56.048 0.124 0.000 1.205 210 H CB 2.282 31.969 29.762 -0.126 0.000 1.605 210 H HN 0.795 nan 8.280 nan 0.000 0.525 211 V N 2.335 122.439 119.914 0.316 0.000 2.694 211 V HA -0.034 4.086 4.120 -0.000 0.000 0.306 211 V C -0.115 176.102 176.094 0.204 0.000 1.054 211 V CA 0.448 62.892 62.300 0.241 0.000 1.161 211 V CB 0.806 32.777 31.823 0.247 0.000 0.916 211 V HN 0.726 nan 8.190 nan 0.000 0.490 212 S N 7.173 122.979 115.700 0.177 0.000 2.610 212 S HA 0.493 4.963 4.470 -0.000 0.000 0.273 212 S C -2.277 172.415 174.600 0.153 0.000 1.274 212 S CA -0.720 57.566 58.200 0.144 0.000 1.023 212 S CB 1.181 64.448 63.200 0.111 0.000 0.962 212 S HN 0.838 nan 8.310 nan 0.000 0.523 213 P HA 0.370 nan 4.420 nan 0.000 0.266 213 P C -0.174 177.178 177.300 0.087 0.000 1.193 213 P CA 0.106 63.251 63.100 0.075 0.000 0.770 213 P CB 0.287 32.014 31.700 0.045 0.000 0.836 214 G N 0.053 108.893 108.800 0.066 0.000 2.632 214 G HA2 0.545 4.505 3.960 -0.000 0.000 0.292 214 G HA3 0.545 4.505 3.960 -0.000 0.000 0.292 214 G C -1.485 173.418 174.900 0.006 0.000 1.465 214 G CA -0.366 44.781 45.100 0.077 0.000 0.824 214 G HN 0.525 nan 8.290 nan 0.000 0.509 215 A N 0.434 123.251 122.820 -0.004 0.000 2.477 215 A HA 0.586 4.906 4.320 -0.000 0.000 0.246 215 A C 1.391 178.936 177.584 -0.064 0.000 1.078 215 A CA 0.422 52.437 52.037 -0.037 0.000 0.770 215 A CB -0.321 18.661 19.000 -0.030 0.000 1.011 215 A HN 1.788 nan 8.150 nan 0.000 0.494 216 L N 0.462 121.609 121.223 -0.126 0.000 4.001 216 L HA -0.312 4.028 4.340 -0.000 0.000 0.413 216 L C 1.159 177.824 176.870 -0.343 0.000 1.185 216 L CA 0.654 55.370 54.840 -0.206 0.000 0.963 216 L CB -1.753 40.246 42.059 -0.100 0.000 1.976 216 L HN 1.008 nan 8.230 nan 0.000 0.939 217 D N 0.141 120.287 120.400 -0.423 0.000 2.117 217 D HA -0.124 4.516 4.640 -0.000 0.000 0.198 217 D C 1.956 177.822 176.300 -0.724 0.000 0.982 217 D CA 1.386 54.843 54.000 -0.906 0.000 0.828 217 D CB -0.082 40.323 40.800 -0.658 0.000 0.967 217 D HN 0.439 nan 8.370 nan 0.000 0.464 218 A N 0.857 123.421 122.820 -0.427 0.000 1.883 218 A HA -0.230 4.090 4.320 -0.000 0.000 0.217 218 A C 2.132 179.498 177.584 -0.363 0.000 1.186 218 A CA 2.000 53.871 52.037 -0.278 0.000 0.624 218 A CB -0.721 18.193 19.000 -0.144 0.000 0.822 218 A HN 0.227 nan 8.150 nan 0.000 0.444 219 E N -0.512 119.276 120.200 -0.687 0.000 2.152 219 E HA 0.128 4.478 4.350 -0.000 0.000 0.192 219 E C 1.924 178.367 176.600 -0.263 0.000 0.983 219 E CA 1.210 57.131 56.400 -0.798 0.000 0.818 219 E CB -0.198 28.990 29.700 -0.853 0.000 0.758 219 E HN 0.599 nan 8.360 nan 0.000 0.467 220 A N -0.457 122.229 122.820 -0.223 0.000 2.108 220 A HA 0.124 4.444 4.320 -0.000 0.000 0.206 220 A C 0.545 178.232 177.584 0.171 0.000 1.212 220 A CA 0.369 52.414 52.037 0.014 0.000 0.843 220 A CB 0.048 19.119 19.000 0.118 0.000 0.902 220 A HN 0.401 nan 8.150 nan 0.000 0.477 221 Y N -4.384 115.932 120.300 0.027 0.000 3.099 221 Y HA 0.461 5.011 4.550 -0.000 0.000 0.238 221 Y C 0.795 176.710 175.900 0.026 0.000 1.028 221 Y CA -0.463 57.667 58.100 0.049 0.000 1.187 221 Y CB -0.447 38.050 38.460 0.062 0.000 1.255 221 Y HN -0.035 nan 8.280 nan 0.000 0.666 222 G N 0.536 109.283 108.800 -0.089 0.000 2.939 222 G HA2 0.275 4.235 3.960 -0.000 0.000 0.210 222 G HA3 0.275 4.235 3.960 -0.000 0.000 0.210 222 G C -0.039 174.833 174.900 -0.047 0.000 1.160 222 G CA 0.324 45.366 45.100 -0.096 0.000 0.770 222 G HN 0.145 nan 8.290 nan 0.000 0.543 223 V N 0.734 120.616 119.914 -0.052 0.000 2.509 223 V HA 0.434 4.554 4.120 -0.000 0.000 0.284 223 V C -0.403 175.578 176.094 -0.189 0.000 1.047 223 V CA -0.560 61.643 62.300 -0.161 0.000 0.952 223 V CB 1.447 33.071 31.823 -0.330 0.000 0.988 223 V HN 0.113 nan 8.190 nan 0.000 0.469 224 K N 2.530 122.776 120.400 -0.257 0.000 2.270 224 K HA 0.806 5.126 4.320 -0.000 0.000 0.255 224 K C -0.520 175.922 176.600 -0.263 0.000 0.936 224 K CA -0.204 55.914 56.287 -0.281 0.000 0.809 224 K CB 2.003 34.228 32.500 -0.459 0.000 1.131 224 K HN 0.701 nan 8.250 nan 0.000 0.427 225 S N 0.176 115.793 115.700 -0.138 0.000 2.588 225 S HA 0.575 5.045 4.470 -0.000 0.000 0.269 225 S C -1.111 173.546 174.600 0.094 0.000 1.157 225 S CA -0.726 57.415 58.200 -0.099 0.000 0.824 225 S CB 0.948 64.055 63.200 -0.155 0.000 1.126 225 S HN 0.694 nan 8.310 nan 0.000 0.464 226 T N 0.261 114.875 114.554 0.099 0.000 2.881 226 T HA 0.522 4.872 4.350 -0.000 0.000 0.278 226 T C 1.237 176.050 174.700 0.187 0.000 0.982 226 T CA -0.485 61.723 62.100 0.179 0.000 0.989 226 T CB 0.700 69.619 68.868 0.086 0.000 1.058 226 T HN 0.443 nan 8.240 nan 0.000 0.529 227 I N 0.568 121.259 120.570 0.202 0.000 2.439 227 I HA 0.009 4.179 4.170 -0.000 0.000 0.251 227 I C 2.358 178.619 176.117 0.240 0.000 1.139 227 I CA 1.340 62.771 61.300 0.217 0.000 1.438 227 I CB -0.549 37.599 38.000 0.247 0.000 1.085 227 I HN 0.810 nan 8.210 nan 0.000 0.427 228 E N 0.004 120.242 120.200 0.063 0.000 2.072 228 E HA -0.205 4.145 4.350 -0.000 0.000 0.190 228 E C 1.630 178.326 176.600 0.161 0.000 0.982 228 E CA 1.372 57.797 56.400 0.041 0.000 0.803 228 E CB -0.143 29.461 29.700 -0.159 0.000 0.755 228 E HN 0.465 nan 8.360 nan 0.000 0.453 229 D N 0.249 120.724 120.400 0.125 0.000 2.144 229 D HA -0.111 4.529 4.640 -0.000 0.000 0.200 229 D C 1.868 178.298 176.300 0.217 0.000 0.978 229 D CA 0.922 54.998 54.000 0.126 0.000 0.833 229 D CB -0.019 40.798 40.800 0.028 0.000 0.961 229 D HN 0.072 nan 8.370 nan 0.000 0.470 230 M N 0.366 120.110 119.600 0.239 0.000 2.175 230 M HA -0.002 4.478 4.480 -0.000 0.000 0.264 230 M C 2.241 178.738 176.300 0.328 0.000 1.063 230 M CA 0.669 56.170 55.300 0.335 0.000 1.119 230 M CB -1.046 31.732 32.600 0.297 0.000 1.377 230 M HN -0.028 nan 8.290 nan 0.000 0.415 231 A N 0.020 123.009 122.820 0.281 0.000 1.933 231 A HA -0.200 4.120 4.320 -0.000 0.000 0.218 231 A C 2.384 180.054 177.584 0.143 0.000 1.175 231 A CA 1.912 54.072 52.037 0.205 0.000 0.628 231 A CB -0.722 18.424 19.000 0.244 0.000 0.814 231 A HN 0.487 nan 8.150 nan 0.000 0.444 232 R N -1.468 119.143 120.500 0.185 0.000 2.115 232 R HA -0.141 4.199 4.340 -0.000 0.000 0.226 232 R C 2.120 178.523 176.300 0.172 0.000 1.100 232 R CA 1.227 57.411 56.100 0.139 0.000 0.980 232 R CB -0.369 30.019 30.300 0.146 0.000 0.875 232 R HN 0.828 nan 8.270 nan 0.000 0.445 233 W N 0.628 121.959 121.300 0.051 0.000 2.338 233 W HA -0.207 4.454 4.660 0.000 0.000 0.304 233 W C 1.364 177.831 176.519 -0.087 0.000 1.212 233 W CA 1.282 58.647 57.345 0.033 0.000 1.264 233 W CB -0.016 29.521 29.460 0.128 0.000 1.142 233 W HN -0.025 nan 8.180 nan 0.000 0.512 234 V N 1.284 121.141 119.914 -0.095 0.000 2.358 234 V HA -0.335 3.785 4.120 -0.000 0.000 0.246 234 V C 2.388 178.157 176.094 -0.542 0.000 1.047 234 V CA 2.235 64.275 62.300 -0.432 0.000 1.035 234 V CB -1.051 30.648 31.823 -0.206 0.000 0.658 234 V HN 0.231 nan 8.190 nan 0.000 0.452 235 Q N -0.085 119.543 119.800 -0.286 0.000 2.096 235 Q HA -0.192 4.148 4.340 -0.000 0.000 0.204 235 Q C 2.471 178.284 176.000 -0.311 0.000 0.982 235 Q CA 2.022 57.669 55.803 -0.260 0.000 0.850 235 Q CB -0.291 28.366 28.738 -0.135 0.000 0.901 235 Q HN 0.616 nan 8.270 nan 0.000 0.422 236 S N 0.863 116.387 115.700 -0.294 0.000 2.383 236 S HA -0.074 4.396 4.470 -0.000 0.000 0.227 236 S C 1.517 175.845 174.600 -0.453 0.000 1.026 236 S CA 0.908 58.936 58.200 -0.287 0.000 0.981 236 S CB -0.159 62.937 63.200 -0.174 0.000 0.818 236 S HN 0.381 nan 8.310 nan 0.000 0.472 237 N N 1.127 119.382 118.700 -0.743 0.000 2.354 237 N HA 0.136 4.876 4.740 -0.000 0.000 0.179 237 N C 1.576 176.581 175.510 -0.842 0.000 1.021 237 N CA 0.450 52.976 53.050 -0.874 0.000 0.887 237 N CB -0.128 37.599 38.487 -1.267 0.000 0.974 237 N HN 0.327 nan 8.380 nan 0.000 0.437 238 L N 0.350 121.057 121.223 -0.860 0.000 2.093 238 L HA -0.045 4.295 4.340 -0.000 0.000 0.208 238 L C 1.068 177.754 176.870 -0.308 0.000 1.085 238 L CA 1.128 55.644 54.840 -0.540 0.000 0.755 238 L CB 0.093 41.884 42.059 -0.447 0.000 0.904 238 L HN -0.044 nan 8.230 nan 0.000 0.435 239 K N -1.151 119.076 120.400 -0.288 0.000 3.098 239 K HA 0.198 4.518 4.320 -0.000 0.000 0.170 239 K C -2.053 174.447 176.600 -0.166 0.000 1.106 239 K CA -1.140 55.033 56.287 -0.191 0.000 0.864 239 K CB 1.084 33.485 32.500 -0.165 0.000 1.047 239 K HN -0.187 nan 8.250 nan 0.000 0.609 240 P HA -0.116 nan 4.420 nan 0.000 0.222 240 P C 0.778 178.026 177.300 -0.086 0.000 1.147 240 P CA 0.748 63.772 63.100 -0.127 0.000 0.790 240 P CB 0.253 31.885 31.700 -0.114 0.000 0.780 241 L N -0.711 120.464 121.223 -0.081 0.000 2.362 241 L HA -0.097 4.243 4.340 -0.000 0.000 0.219 241 L C 1.411 178.248 176.870 -0.056 0.000 1.134 241 L CA 1.090 55.893 54.840 -0.061 0.000 0.807 241 L CB -0.728 41.296 42.059 -0.058 0.000 0.927 241 L HN -0.063 nan 8.230 nan 0.000 0.447 242 D N 0.144 120.505 120.400 -0.066 0.000 2.363 242 D HA 0.115 4.755 4.640 -0.000 0.000 0.220 242 D C 0.744 177.017 176.300 -0.045 0.000 0.994 242 D CA 0.542 54.508 54.000 -0.056 0.000 0.890 242 D CB 0.172 40.932 40.800 -0.066 0.000 0.906 242 D HN 0.235 nan 8.370 nan 0.000 0.530 243 I N 1.518 122.061 120.570 -0.044 0.000 2.371 243 I HA 0.040 4.210 4.170 -0.000 0.000 0.290 243 I C 1.365 177.469 176.117 -0.021 0.000 1.028 243 I CA -0.395 60.888 61.300 -0.028 0.000 1.345 243 I CB 1.047 39.032 38.000 -0.026 0.000 1.407 243 I HN -0.209 nan 8.210 nan 0.000 0.501 244 N N 4.048 122.740 118.700 -0.015 0.000 2.270 244 N HA -0.081 4.659 4.740 -0.000 0.000 0.181 244 N C 0.110 175.613 175.510 -0.011 0.000 1.016 244 N CA 0.817 53.859 53.050 -0.014 0.000 0.870 244 N CB 0.048 38.528 38.487 -0.013 0.000 0.979 244 N HN 0.567 nan 8.380 nan 0.000 0.431 245 E N 1.027 121.223 120.200 -0.007 0.000 2.220 245 E HA 0.157 4.507 4.350 -0.000 0.000 0.272 245 E C 1.161 177.757 176.600 -0.006 0.000 1.099 245 E CA 0.003 56.399 56.400 -0.006 0.000 0.907 245 E CB 0.652 30.351 29.700 -0.002 0.000 1.022 245 E HN 0.245 nan 8.360 nan 0.000 0.428 246 K N 2.305 122.701 120.400 -0.007 0.000 2.026 246 K HA -0.165 4.155 4.320 -0.000 0.000 0.208 246 K C 2.030 178.629 176.600 -0.002 0.000 1.048 246 K CA 2.157 58.440 56.287 -0.007 0.000 0.929 246 K CB -1.453 31.042 32.500 -0.007 0.000 0.713 246 K HN 0.667 nan 8.250 nan 0.000 0.439 247 T N -0.672 113.881 114.554 -0.001 0.000 2.915 247 T HA -0.067 4.283 4.350 -0.000 0.000 0.269 247 T C 1.962 176.669 174.700 0.013 0.000 1.071 247 T CA 1.308 63.410 62.100 0.004 0.000 1.132 247 T CB -0.176 68.692 68.868 -0.001 0.000 0.878 247 T HN 0.220 nan 8.240 nan 0.000 0.479 248 L N 1.112 122.343 121.223 0.012 0.000 2.131 248 L HA 0.143 4.483 4.340 -0.000 0.000 0.206 248 L C 2.769 179.654 176.870 0.024 0.000 1.087 248 L CA 1.678 56.536 54.840 0.029 0.000 0.767 248 L CB -0.951 41.129 42.059 0.035 0.000 0.917 248 L HN 0.391 nan 8.230 nan 0.000 0.441 249 Q N -0.781 119.022 119.800 0.006 0.000 2.061 249 Q HA -0.285 4.055 4.340 -0.000 0.000 0.204 249 Q C 2.115 178.112 176.000 -0.004 0.000 0.984 249 Q CA 2.232 58.029 55.803 -0.011 0.000 0.846 249 Q CB -0.165 28.562 28.738 -0.018 0.000 0.902 249 Q HN 0.671 nan 8.270 nan 0.000 0.421 250 Q N -0.483 119.321 119.800 0.007 0.000 2.119 250 Q HA -0.085 4.255 4.340 -0.000 0.000 0.201 250 Q C 2.084 178.107 176.000 0.039 0.000 0.972 250 Q CA 1.224 57.037 55.803 0.016 0.000 0.847 250 Q CB -0.243 28.505 28.738 0.017 0.000 0.903 250 Q HN 0.585 nan 8.270 nan 0.000 0.433 251 G N 0.933 109.763 108.800 0.050 0.000 2.418 251 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.217 251 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.217 251 G C 1.407 176.369 174.900 0.104 0.000 1.158 251 G CA 0.596 45.746 45.100 0.083 0.000 0.771 251 G HN 0.226 nan 8.290 nan 0.000 0.545 252 I N 0.248 120.859 120.570 0.068 0.000 2.226 252 I HA -0.230 3.940 4.170 -0.000 0.000 0.245 252 I C 3.027 179.171 176.117 0.045 0.000 1.100 252 I CA 1.213 62.541 61.300 0.046 0.000 1.374 252 I CB -0.322 37.644 38.000 -0.056 0.000 1.057 252 I HN 0.246 nan 8.210 nan 0.000 0.413 253 Q N 0.556 120.367 119.800 0.019 0.000 2.096 253 Q HA -0.197 4.143 4.340 -0.000 0.000 0.204 253 Q C 2.388 178.420 176.000 0.054 0.000 0.982 253 Q CA 1.442 57.252 55.803 0.011 0.000 0.850 253 Q CB -0.184 28.550 28.738 -0.008 0.000 0.901 253 Q HN 0.529 nan 8.270 nan 0.000 0.422 254 L N -0.032 121.248 121.223 0.094 0.000 2.131 254 L HA -0.151 4.189 4.340 -0.000 0.000 0.210 254 L C 2.373 179.398 176.870 0.258 0.000 1.092 254 L CA 0.799 55.733 54.840 0.157 0.000 0.759 254 L CB -0.475 41.686 42.059 0.170 0.000 0.903 254 L HN 0.213 nan 8.230 nan 0.000 0.435 255 A N -0.853 122.118 122.820 0.251 0.000 2.066 255 A HA -0.151 4.169 4.320 -0.000 0.000 0.218 255 A C 2.029 179.846 177.584 0.388 0.000 1.157 255 A CA 0.969 53.214 52.037 0.347 0.000 0.670 255 A CB -0.199 19.036 19.000 0.391 0.000 0.804 255 A HN 0.473 nan 8.150 nan 0.000 0.453 256 Q N 0.136 120.077 119.800 0.235 0.000 2.280 256 Q HA 0.186 4.526 4.340 -0.000 0.000 0.201 256 Q C -0.136 175.886 176.000 0.036 0.000 0.890 256 Q CA -0.327 55.555 55.803 0.131 0.000 0.947 256 Q CB 0.388 29.129 28.738 0.004 0.000 1.081 256 Q HN 0.490 nan 8.270 nan 0.000 0.502 257 S N 1.028 116.730 115.700 0.003 0.000 2.579 257 S HA 0.188 4.658 4.470 -0.000 0.000 0.275 257 S C 0.083 174.475 174.600 -0.346 0.000 1.345 257 S CA -0.110 57.934 58.200 -0.261 0.000 1.031 257 S CB 0.552 63.461 63.200 -0.485 0.000 0.892 257 S HN 0.240 nan 8.310 nan 0.000 0.529 258 R N 1.544 121.818 120.500 -0.376 0.000 2.198 258 R HA 0.239 4.579 4.340 -0.000 0.000 0.339 258 R C -0.342 175.770 176.300 -0.314 0.000 1.020 258 R CA -0.128 55.853 56.100 -0.198 0.000 0.864 258 R CB 0.365 30.544 30.300 -0.202 0.000 1.105 258 R HN 0.690 nan 8.270 nan 0.000 0.463 259 Y N 0.669 120.974 120.300 0.008 0.000 2.479 259 Y HA 0.140 4.690 4.550 -0.000 0.000 0.283 259 Y C 0.140 175.737 175.900 -0.505 0.000 1.109 259 Y CA 0.293 58.238 58.100 -0.258 0.000 1.239 259 Y CB 0.536 38.842 38.460 -0.257 0.000 1.108 259 Y HN 0.460 nan 8.280 nan 0.000 0.548 260 W N -0.186 121.284 121.300 0.282 0.000 3.127 260 W HA 0.541 5.201 4.660 0.000 0.000 0.330 260 W C -0.922 175.706 176.519 0.182 0.000 1.187 260 W CA -0.968 56.498 57.345 0.201 0.000 1.198 260 W CB 1.193 30.757 29.460 0.173 0.000 1.408 260 W HN -0.455 nan 8.180 nan 0.000 0.529 261 Q N 1.500 121.499 119.800 0.332 0.000 2.340 261 Q HA 0.617 4.957 4.340 -0.000 0.000 0.268 261 Q C -1.127 174.896 176.000 0.039 0.000 1.031 261 Q CA -0.439 55.394 55.803 0.049 0.000 0.804 261 Q CB 2.316 31.008 28.738 -0.077 0.000 1.286 261 Q HN 0.430 nan 8.270 nan 0.000 0.448 262 T N 2.687 117.215 114.554 -0.042 0.000 2.890 262 T HA 0.625 4.975 4.350 -0.000 0.000 0.295 262 T C 0.417 175.060 174.700 -0.095 0.000 0.993 262 T CA 0.730 62.803 62.100 -0.045 0.000 0.979 262 T CB 0.721 69.580 68.868 -0.015 0.000 0.967 262 T HN 1.008 nan 8.240 nan 0.000 0.441 263 G N 5.484 114.228 108.800 -0.092 0.000 2.591 263 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.298 263 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.298 263 G C 0.361 175.169 174.900 -0.154 0.000 1.195 263 G CA 0.753 45.794 45.100 -0.098 0.000 0.989 263 G HN 0.982 nan 8.290 nan 0.000 0.551 264 D N 0.246 120.565 120.400 -0.136 0.000 2.342 264 D HA 0.298 4.938 4.640 -0.000 0.000 0.221 264 D C 1.078 177.267 176.300 -0.185 0.000 1.101 264 D CA 0.313 54.224 54.000 -0.149 0.000 0.837 264 D CB 0.068 40.820 40.800 -0.080 0.000 0.938 264 D HN 0.550 nan 8.370 nan 0.000 0.508 265 M N 0.575 120.050 119.600 -0.209 0.000 2.472 265 M HA 0.427 4.907 4.480 -0.000 0.000 0.331 265 M C -1.621 174.532 176.300 -0.245 0.000 1.170 265 M CA -0.719 54.527 55.300 -0.091 0.000 1.009 265 M CB 1.755 34.393 32.600 0.063 0.000 1.672 265 M HN -0.183 nan 8.290 nan 0.000 0.453 266 Y N 1.449 121.858 120.300 0.182 0.000 2.409 266 Y HA 0.374 4.924 4.550 -0.000 0.000 0.343 266 Y C -0.418 175.644 175.900 0.270 0.000 0.973 266 Y CA -0.787 57.434 58.100 0.202 0.000 1.064 266 Y CB 1.652 40.197 38.460 0.142 0.000 1.207 266 Y HN 0.527 nan 8.280 nan 0.000 0.452 267 Q N 1.946 122.028 119.800 0.470 0.000 2.296 267 Q HA 0.548 4.888 4.340 -0.000 0.000 0.257 267 Q C 0.028 176.330 176.000 0.503 0.000 0.942 267 Q CA -0.202 55.882 55.803 0.467 0.000 0.939 267 Q CB 1.189 30.219 28.738 0.486 0.000 1.198 267 Q HN 0.894 nan 8.270 nan 0.000 0.429 268 G N 2.822 111.893 108.800 0.453 0.000 2.641 268 G HA2 0.472 4.432 3.960 -0.000 0.000 0.239 268 G HA3 0.472 4.432 3.960 -0.000 0.000 0.239 268 G C -0.892 174.200 174.900 0.319 0.000 1.402 268 G CA -0.809 44.583 45.100 0.487 0.000 1.046 268 G HN 0.603 nan 8.290 nan 0.000 0.565 269 L N 1.047 122.430 121.223 0.267 0.000 2.270 269 L HA 0.454 4.794 4.340 -0.000 0.000 0.286 269 L C 1.382 178.312 176.870 0.100 0.000 1.059 269 L CA 0.429 55.298 54.840 0.047 0.000 0.839 269 L CB 0.545 42.624 42.059 0.033 0.000 1.221 269 L HN 1.033 nan 8.230 nan 0.000 0.431 270 G N 2.199 111.025 108.800 0.042 0.000 4.655 270 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.220 270 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.220 270 G C 0.031 174.978 174.900 0.078 0.000 1.403 270 G CA -0.129 44.989 45.100 0.030 0.000 0.931 270 G HN 0.529 nan 8.290 nan 0.000 0.654 271 W N 2.553 123.995 121.300 0.236 0.000 2.170 271 W HA 0.536 5.196 4.660 -0.000 0.000 0.342 271 W C 0.877 177.551 176.519 0.259 0.000 1.294 271 W CA -0.126 57.354 57.345 0.225 0.000 1.246 271 W CB 0.349 29.913 29.460 0.173 0.000 1.156 271 W HN 0.366 nan 8.180 nan 0.000 0.572 272 E N 1.651 122.206 120.200 0.592 0.000 2.244 272 E HA 0.607 4.957 4.350 -0.000 0.000 0.266 272 E C -0.809 176.093 176.600 0.504 0.000 0.914 272 E CA -1.161 55.552 56.400 0.522 0.000 0.794 272 E CB 1.696 31.691 29.700 0.492 0.000 1.210 272 E HN 0.187 nan 8.360 nan 0.000 0.414 273 M N 1.824 121.672 119.600 0.414 0.000 2.501 273 M HA 0.461 4.941 4.480 -0.000 0.000 0.293 273 M C -1.583 174.943 176.300 0.378 0.000 1.192 273 M CA -0.340 55.144 55.300 0.306 0.000 0.886 273 M CB 1.818 34.535 32.600 0.195 0.000 1.710 273 M HN 0.304 nan 8.290 nan 0.000 0.457 274 L N 0.567 121.977 121.223 0.312 0.000 2.393 274 L HA 0.556 4.896 4.340 -0.000 0.000 0.260 274 L C -0.756 176.281 176.870 0.278 0.000 1.002 274 L CA -0.741 54.287 54.840 0.313 0.000 0.818 274 L CB 1.890 44.044 42.059 0.158 0.000 1.369 274 L HN 0.550 nan 8.230 nan 0.000 0.412 275 D N 0.882 121.437 120.400 0.258 0.000 2.443 275 D HA -0.038 4.602 4.640 -0.000 0.000 0.239 275 D C -0.899 175.534 176.300 0.222 0.000 1.136 275 D CA 0.237 54.352 54.000 0.191 0.000 0.879 275 D CB 1.133 42.017 40.800 0.139 0.000 1.195 275 D HN 0.354 nan 8.370 nan 0.000 0.443 276 W N 4.471 125.829 121.300 0.097 0.000 2.417 276 W HA 0.275 4.935 4.660 -0.000 0.000 0.317 276 W C -2.315 174.257 176.519 0.088 0.000 1.121 276 W CA -1.772 55.649 57.345 0.127 0.000 1.208 276 W CB 1.137 30.688 29.460 0.151 0.000 1.253 276 W HN 0.232 nan 8.180 nan 0.000 0.533 277 P HA 0.188 nan 4.420 nan 0.000 0.277 277 P C -0.526 176.414 177.300 -0.600 0.000 1.240 277 P CA -0.094 62.195 63.100 -1.351 0.000 0.798 277 P CB 1.726 32.829 31.700 -0.995 0.000 0.979 278 V N -0.811 118.751 119.914 -0.587 0.000 2.834 278 V HA 0.506 4.626 4.120 -0.000 0.000 0.313 278 V C 0.127 175.909 176.094 -0.520 0.000 1.060 278 V CA -1.104 60.959 62.300 -0.394 0.000 0.989 278 V CB 1.260 32.856 31.823 -0.378 0.000 1.041 278 V HN 0.533 nan 8.190 nan 0.000 0.459 279 N N 4.211 122.646 118.700 -0.441 0.000 2.411 279 N HA 0.368 5.108 4.740 -0.000 0.000 0.259 279 N C -1.240 173.859 175.510 -0.684 0.000 1.103 279 N CA -2.022 50.738 53.050 -0.483 0.000 0.954 279 N CB 1.247 39.547 38.487 -0.311 0.000 1.085 279 N HN 0.528 nan 8.380 nan 0.000 0.485 280 P HA -0.119 nan 4.420 nan 0.000 0.216 280 P C 0.318 177.232 177.300 -0.643 0.000 1.150 280 P CA 1.089 63.451 63.100 -1.229 0.000 0.837 280 P CB 0.395 31.008 31.700 -1.812 0.000 0.786 281 D N -0.566 119.562 120.400 -0.453 0.000 2.182 281 D HA -0.114 4.526 4.640 -0.000 0.000 0.201 281 D C 2.198 178.355 176.300 -0.239 0.000 0.986 281 D CA 1.104 54.936 54.000 -0.281 0.000 0.847 281 D CB -0.595 40.081 40.800 -0.207 0.000 0.942 281 D HN 0.139 nan 8.370 nan 0.000 0.467 282 S N 0.104 115.643 115.700 -0.268 0.000 2.355 282 S HA -0.091 4.379 4.470 -0.000 0.000 0.222 282 S C 2.134 176.628 174.600 -0.177 0.000 1.031 282 S CA 0.925 59.004 58.200 -0.202 0.000 0.993 282 S CB -0.171 62.911 63.200 -0.197 0.000 0.859 282 S HN 0.405 nan 8.310 nan 0.000 0.453 283 I N -0.964 119.455 120.570 -0.252 0.000 2.439 283 I HA 0.008 4.178 4.170 -0.000 0.000 0.251 283 I C 2.063 178.130 176.117 -0.084 0.000 1.139 283 I CA 1.112 62.323 61.300 -0.148 0.000 1.438 283 I CB -0.548 37.273 38.000 -0.298 0.000 1.085 283 I HN 0.233 nan 8.210 nan 0.000 0.427 284 I N 2.101 122.571 120.570 -0.167 0.000 2.133 284 I HA -0.229 3.941 4.170 -0.000 0.000 0.238 284 I C 2.334 178.396 176.117 -0.092 0.000 1.074 284 I CA 1.505 62.733 61.300 -0.120 0.000 1.342 284 I CB -0.686 37.229 38.000 -0.143 0.000 1.053 284 I HN 0.272 nan 8.210 nan 0.000 0.404 285 N N 1.183 119.822 118.700 -0.103 0.000 2.166 285 N HA -0.112 4.628 4.740 -0.000 0.000 0.186 285 N C 1.854 177.326 175.510 -0.063 0.000 1.019 285 N CA 1.552 54.555 53.050 -0.079 0.000 0.856 285 N CB -0.776 37.662 38.487 -0.083 0.000 0.993 285 N HN 0.423 nan 8.380 nan 0.000 0.426 286 G N 0.086 108.851 108.800 -0.058 0.000 2.509 286 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.218 286 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.218 286 G C 1.524 176.409 174.900 -0.024 0.000 1.124 286 G CA 1.095 46.175 45.100 -0.033 0.000 0.776 286 G HN 0.502 nan 8.290 nan 0.000 0.547 287 S N -0.496 115.186 115.700 -0.030 0.000 2.528 287 S HA 0.042 4.512 4.470 -0.000 0.000 0.219 287 S C 0.751 175.303 174.600 -0.080 0.000 0.985 287 S CA -0.106 58.064 58.200 -0.050 0.000 0.914 287 S CB 0.048 63.215 63.200 -0.056 0.000 0.776 287 S HN 0.268 nan 8.310 nan 0.000 0.526 288 D N 2.179 122.538 120.400 -0.068 0.000 2.488 288 D HA 0.041 4.681 4.640 -0.000 0.000 0.238 288 D C 0.395 176.653 176.300 -0.069 0.000 1.138 288 D CA 0.096 54.058 54.000 -0.064 0.000 0.873 288 D CB 0.525 41.295 40.800 -0.050 0.000 1.183 288 D HN 0.103 nan 8.370 nan 0.000 0.458 289 N N 3.089 121.748 118.700 -0.068 0.000 2.348 289 N HA -0.190 4.550 4.740 -0.000 0.000 0.185 289 N C 1.555 177.036 175.510 -0.048 0.000 1.019 289 N CA 0.751 53.759 53.050 -0.070 0.000 0.880 289 N CB -0.109 38.345 38.487 -0.055 0.000 0.965 289 N HN 0.646 nan 8.380 nan 0.000 0.437 290 K N 0.301 120.680 120.400 -0.036 0.000 2.283 290 K HA 0.003 4.323 4.320 -0.000 0.000 0.202 290 K C 1.660 178.244 176.600 -0.027 0.000 1.048 290 K CA 0.891 57.163 56.287 -0.023 0.000 0.948 290 K CB 0.033 32.522 32.500 -0.018 0.000 0.742 290 K HN 0.164 nan 8.250 nan 0.000 0.458 291 I N 0.950 121.496 120.570 -0.040 0.000 2.947 291 I HA 0.013 4.183 4.170 -0.000 0.000 0.263 291 I C 2.469 178.554 176.117 -0.053 0.000 1.130 291 I CA 0.492 61.767 61.300 -0.041 0.000 1.448 291 I CB -0.018 37.957 38.000 -0.043 0.000 1.222 291 I HN 0.192 nan 8.210 nan 0.000 0.453 292 A N 0.893 123.665 122.820 -0.081 0.000 2.015 292 A HA -0.053 4.267 4.320 -0.000 0.000 0.219 292 A C 2.070 179.562 177.584 -0.153 0.000 1.163 292 A CA 1.267 53.222 52.037 -0.136 0.000 0.646 292 A CB -0.559 18.322 19.000 -0.199 0.000 0.806 292 A HN 0.419 nan 8.150 nan 0.000 0.448 293 L N -0.967 120.202 121.223 -0.090 0.000 2.607 293 L HA 0.274 4.614 4.340 -0.000 0.000 0.228 293 L C 1.097 177.982 176.870 0.025 0.000 1.123 293 L CA -0.103 54.724 54.840 -0.021 0.000 0.890 293 L CB -0.198 41.861 42.059 0.000 0.000 1.103 293 L HN 0.348 nan 8.230 nan 0.000 0.468 294 A N 0.699 123.521 122.820 0.003 0.000 2.302 294 A HA 0.689 5.009 4.320 -0.000 0.000 0.285 294 A C 0.445 178.031 177.584 0.002 0.000 1.105 294 A CA -0.265 51.783 52.037 0.018 0.000 0.816 294 A CB 0.526 19.526 19.000 0.000 0.000 1.067 294 A HN 0.184 nan 8.150 nan 0.000 0.489 295 A N 2.236 125.060 122.820 0.005 0.000 2.511 295 A HA 0.527 4.847 4.320 -0.000 0.000 0.242 295 A C 0.364 177.845 177.584 -0.173 0.000 1.069 295 A CA 0.094 52.057 52.037 -0.124 0.000 0.763 295 A CB 0.028 18.882 19.000 -0.243 0.000 1.001 295 A HN 0.720 nan 8.150 nan 0.000 0.498 296 R N 2.386 122.760 120.500 -0.210 0.000 2.621 296 R HA 0.468 4.808 4.340 -0.000 0.000 0.284 296 R C -3.144 173.022 176.300 -0.222 0.000 0.998 296 R CA -2.070 53.926 56.100 -0.173 0.000 0.895 296 R CB 1.974 32.217 30.300 -0.095 0.000 1.195 296 R HN 0.513 nan 8.270 nan 0.000 0.450 297 P HA 0.093 nan 4.420 nan 0.000 0.271 297 P C -0.174 177.065 177.300 -0.101 0.000 1.216 297 P CA -0.253 62.739 63.100 -0.182 0.000 0.776 297 P CB 0.814 32.435 31.700 -0.131 0.000 0.881 298 V N -1.753 118.112 119.914 -0.083 0.000 2.715 298 V HA 0.877 4.997 4.120 -0.000 0.000 0.310 298 V C -0.007 176.199 176.094 0.186 0.000 1.054 298 V CA -1.211 61.119 62.300 0.051 0.000 0.928 298 V CB 0.915 32.722 31.823 -0.028 0.000 1.007 298 V HN 0.570 nan 8.190 nan 0.000 0.437 299 K N 1.753 122.310 120.400 0.261 0.000 2.235 299 K HA 0.900 5.220 4.320 -0.000 0.000 0.266 299 K C 0.146 176.974 176.600 0.379 0.000 0.980 299 K CA -0.289 56.157 56.287 0.264 0.000 0.849 299 K CB 1.244 33.832 32.500 0.145 0.000 1.098 299 K HN 2.001 nan 8.250 nan 0.000 0.445 300 A N 1.980 124.995 122.820 0.325 0.000 2.462 300 A HA 0.583 4.903 4.320 -0.000 0.000 0.243 300 A C 0.007 177.551 177.584 -0.067 0.000 1.076 300 A CA -0.241 51.762 52.037 -0.056 0.000 0.773 300 A CB -0.343 18.588 19.000 -0.115 0.000 1.010 300 A HN 0.786 nan 8.150 nan 0.000 0.493 301 I N 2.490 122.952 120.570 -0.180 0.000 2.330 301 I HA 0.221 4.391 4.170 -0.000 0.000 0.286 301 I C -0.218 175.811 176.117 -0.146 0.000 1.025 301 I CA 0.108 61.350 61.300 -0.097 0.000 1.197 301 I CB 1.314 39.276 38.000 -0.063 0.000 1.358 301 I HN 0.523 nan 8.210 nan 0.000 0.467 302 T N 6.528 121.028 114.554 -0.090 0.000 2.893 302 T HA 0.412 4.762 4.350 -0.000 0.000 0.324 302 T C -1.802 172.864 174.700 -0.056 0.000 1.082 302 T CA -0.947 61.106 62.100 -0.079 0.000 0.983 302 T CB 0.782 69.621 68.868 -0.048 0.000 1.005 302 T HN 0.441 nan 8.240 nan 0.000 0.475 303 P HA 0.542 nan 4.420 nan 0.000 0.280 303 P C -3.041 174.179 177.300 -0.134 0.000 1.272 303 P CA -2.139 60.908 63.100 -0.087 0.000 0.819 303 P CB 0.013 31.675 31.700 -0.064 0.000 1.122 304 P HA 0.055 nan 4.420 nan 0.000 0.265 304 P C -0.281 176.862 177.300 -0.262 0.000 1.193 304 P CA 0.389 63.298 63.100 -0.318 0.000 0.765 304 P CB -0.156 31.192 31.700 -0.588 0.000 0.823 305 T N 5.783 120.186 114.554 -0.253 0.000 2.834 305 T HA 0.203 4.553 4.350 -0.000 0.000 0.298 305 T C -2.079 172.488 174.700 -0.221 0.000 0.966 305 T CA -0.890 61.087 62.100 -0.206 0.000 1.141 305 T CB -0.336 68.405 68.868 -0.212 0.000 0.905 305 T HN 0.289 nan 8.240 nan 0.000 0.535 306 P HA 0.194 nan 4.420 nan 0.000 0.268 306 P C -0.483 176.739 177.300 -0.130 0.000 1.208 306 P CA -0.476 62.543 63.100 -0.135 0.000 0.777 306 P CB 0.302 31.945 31.700 -0.094 0.000 0.875 307 A N 2.485 125.242 122.820 -0.105 0.000 2.572 307 A HA 0.030 4.350 4.320 -0.000 0.000 0.256 307 A C 0.201 177.729 177.584 -0.093 0.000 1.041 307 A CA 0.263 52.245 52.037 -0.092 0.000 0.790 307 A CB -0.901 18.059 19.000 -0.067 0.000 0.947 307 A HN 0.375 nan 8.150 nan 0.000 0.518 308 V N 6.464 126.314 119.914 -0.105 0.000 2.408 308 V HA 0.097 4.217 4.120 -0.000 0.000 0.267 308 V C 1.593 177.648 176.094 -0.065 0.000 1.047 308 V CA -0.446 61.800 62.300 -0.090 0.000 0.937 308 V CB 0.812 32.567 31.823 -0.113 0.000 0.999 308 V HN 1.037 nan 8.190 nan 0.000 0.472 309 R N 3.954 124.423 120.500 -0.052 0.000 2.083 309 R HA -0.086 4.254 4.340 -0.000 0.000 0.237 309 R C 1.364 177.646 176.300 -0.030 0.000 1.137 309 R CA 1.505 57.576 56.100 -0.048 0.000 0.951 309 R CB -0.329 29.944 30.300 -0.046 0.000 0.851 309 R HN 0.726 nan 8.270 nan 0.000 0.434 310 A N 2.031 124.860 122.820 0.015 0.000 3.063 310 A HA 0.241 4.561 4.320 -0.000 0.000 0.263 310 A C -0.418 177.263 177.584 0.162 0.000 1.736 310 A CA 0.093 52.190 52.037 0.100 0.000 1.408 310 A CB -0.076 19.014 19.000 0.150 0.000 1.108 310 A HN 0.076 nan 8.150 nan 0.000 0.621 311 S N 0.515 116.276 115.700 0.101 0.000 2.570 311 S HA 0.514 4.984 4.470 -0.000 0.000 0.286 311 S C -0.914 173.769 174.600 0.139 0.000 1.099 311 S CA -0.577 57.700 58.200 0.129 0.000 0.913 311 S CB 1.176 64.369 63.200 -0.012 0.000 1.085 311 S HN 0.690 nan 8.310 nan 0.000 0.480 312 W N 4.013 125.350 121.300 0.061 0.000 2.342 312 W HA 0.546 5.206 4.660 -0.000 0.000 0.310 312 W C -1.778 174.603 176.519 -0.231 0.000 1.128 312 W CA -0.472 56.851 57.345 -0.037 0.000 1.322 312 W CB 0.541 30.077 29.460 0.128 0.000 1.251 312 W HN 0.327 nan 8.180 nan 0.000 0.439 313 V N 7.525 127.000 119.914 -0.732 0.000 2.459 313 V HA 0.438 4.558 4.120 -0.000 0.000 0.295 313 V C -0.073 175.606 176.094 -0.691 0.000 1.029 313 V CA -0.399 61.448 62.300 -0.755 0.000 0.874 313 V CB 1.378 32.278 31.823 -1.539 0.000 0.985 313 V HN 0.669 nan 8.190 nan 0.000 0.438 314 H N 2.439 121.452 119.070 -0.096 0.000 2.981 314 H HA 0.894 5.450 4.556 -0.000 0.000 0.327 314 H C -1.318 174.286 175.328 0.460 0.000 1.342 314 H CA -1.274 54.846 56.048 0.120 0.000 1.123 314 H CB 2.215 32.087 29.762 0.183 0.000 1.851 314 H HN 0.450 nan 8.280 nan 0.000 0.531 315 K N 1.222 121.774 120.400 0.254 0.000 2.570 315 K HA 0.252 4.572 4.320 -0.000 0.000 0.256 315 K C -1.366 175.362 176.600 0.213 0.000 0.939 315 K CA -0.060 56.310 56.287 0.138 0.000 0.833 315 K CB 2.074 34.637 32.500 0.105 0.000 1.318 315 K HN 0.915 nan 8.250 nan 0.000 0.433 316 T N 0.020 114.704 114.554 0.217 0.000 2.922 316 T HA 0.852 5.202 4.350 -0.000 0.000 0.285 316 T C 0.353 175.156 174.700 0.172 0.000 1.005 316 T CA -0.423 61.840 62.100 0.272 0.000 1.061 316 T CB 1.576 70.506 68.868 0.102 0.000 1.007 316 T HN 0.639 nan 8.240 nan 0.000 0.502 317 G N -0.564 108.341 108.800 0.174 0.000 2.733 317 G HA2 0.747 4.707 3.960 -0.000 0.000 0.297 317 G HA3 0.747 4.707 3.960 -0.000 0.000 0.297 317 G C -1.562 173.425 174.900 0.145 0.000 1.422 317 G CA -0.642 44.555 45.100 0.162 0.000 0.942 317 G HN 1.135 nan 8.290 nan 0.000 0.510 318 A N 0.391 123.292 122.820 0.134 0.000 2.574 318 A HA 0.957 5.277 4.320 -0.000 0.000 0.297 318 A C 0.088 177.755 177.584 0.138 0.000 1.062 318 A CA 0.132 52.255 52.037 0.143 0.000 0.686 318 A CB 1.590 20.640 19.000 0.084 0.000 1.285 318 A HN 1.763 nan 8.150 nan 0.000 0.403 319 T N -1.709 112.969 114.554 0.207 0.000 2.768 319 T HA 0.638 4.988 4.350 -0.000 0.000 0.268 319 T C 1.423 176.228 174.700 0.176 0.000 0.969 319 T CA 0.220 62.418 62.100 0.164 0.000 1.008 319 T CB 0.724 69.733 68.868 0.236 0.000 1.371 319 T HN 1.443 nan 8.240 nan 0.000 0.587 320 G N -0.285 108.611 108.800 0.159 0.000 2.442 320 G HA2 0.167 4.127 3.960 -0.000 0.000 0.219 320 G HA3 0.167 4.127 3.960 -0.000 0.000 0.219 320 G C 1.174 176.168 174.900 0.157 0.000 1.141 320 G CA 0.616 45.796 45.100 0.133 0.000 0.763 320 G HN 1.123 nan 8.290 nan 0.000 0.554 321 G N -1.395 107.544 108.800 0.230 0.000 3.377 321 G HA2 0.487 4.447 3.960 -0.000 0.000 0.257 321 G HA3 0.487 4.447 3.960 -0.000 0.000 0.257 321 G C -0.449 174.431 174.900 -0.033 0.000 1.038 321 G CA -0.455 44.699 45.100 0.091 0.000 0.809 321 G HN 0.191 nan 8.290 nan 0.000 0.526 322 F N -0.498 119.586 119.950 0.224 0.000 2.599 322 F HA 0.707 5.234 4.527 -0.000 0.000 0.311 322 F C 0.307 176.244 175.800 0.229 0.000 1.076 322 F CA -0.997 57.171 58.000 0.281 0.000 0.937 322 F CB 2.518 41.704 39.000 0.309 0.000 1.282 322 F HN 0.029 nan 8.300 nan 0.000 0.460 323 G N 0.731 109.799 108.800 0.446 0.000 2.687 323 G HA2 0.606 4.566 3.960 -0.000 0.000 0.301 323 G HA3 0.606 4.566 3.960 -0.000 0.000 0.301 323 G C -1.694 173.367 174.900 0.268 0.000 1.416 323 G CA -0.625 44.621 45.100 0.244 0.000 1.005 323 G HN 0.577 nan 8.290 nan 0.000 0.509 324 S N -0.015 115.814 115.700 0.216 0.000 2.632 324 S HA 0.812 5.282 4.470 -0.000 0.000 0.289 324 S C -1.763 173.022 174.600 0.307 0.000 1.115 324 S CA -0.659 57.692 58.200 0.252 0.000 0.889 324 S CB 2.096 65.442 63.200 0.243 0.000 1.116 324 S HN 0.722 nan 8.310 nan 0.000 0.486 325 Y N 0.376 120.780 120.300 0.173 0.000 2.519 325 Y HA 0.608 5.158 4.550 -0.000 0.000 0.336 325 Y C -1.932 174.123 175.900 0.258 0.000 1.089 325 Y CA -0.782 57.436 58.100 0.198 0.000 1.025 325 Y CB 1.055 39.629 38.460 0.191 0.000 1.318 325 Y HN 0.500 nan 8.280 nan 0.000 0.452 326 V N 4.388 124.130 119.914 -0.286 0.000 2.638 326 V HA 0.968 5.088 4.120 -0.000 0.000 0.306 326 V C -0.879 174.973 176.094 -0.403 0.000 1.052 326 V CA -0.288 61.946 62.300 -0.111 0.000 0.885 326 V CB 1.499 33.520 31.823 0.330 0.000 0.999 326 V HN 1.007 nan 8.190 nan 0.000 0.424 327 A N 4.741 127.356 122.820 -0.342 0.000 2.520 327 A HA 1.038 5.358 4.320 -0.000 0.000 0.298 327 A C -1.277 176.021 177.584 -0.476 0.000 1.051 327 A CA -0.505 51.187 52.037 -0.574 0.000 0.690 327 A CB 1.782 20.352 19.000 -0.715 0.000 1.281 327 A HN 1.388 nan 8.150 nan 0.000 0.402 328 F N -0.693 118.814 119.950 -0.738 0.000 2.686 328 F HA 0.836 5.363 4.527 -0.000 0.000 0.311 328 F C -1.361 174.080 175.800 -0.598 0.000 1.128 328 F CA -1.271 56.368 58.000 -0.602 0.000 0.946 328 F CB 1.343 40.055 39.000 -0.481 0.000 1.336 328 F HN 0.316 nan 8.300 nan 0.000 0.457 329 I N 2.241 122.638 120.570 -0.288 0.000 2.466 329 I HA 0.310 4.480 4.170 -0.000 0.000 0.279 329 I C -2.203 173.805 176.117 -0.182 0.000 1.033 329 I CA -1.829 59.271 61.300 -0.332 0.000 1.123 329 I CB 1.890 39.555 38.000 -0.559 0.000 1.237 329 I HN 0.375 nan 8.210 nan 0.000 0.460 330 P HA -0.187 nan 4.420 nan 0.000 0.215 330 P C 1.409 178.637 177.300 -0.120 0.000 1.153 330 P CA 1.168 64.223 63.100 -0.075 0.000 0.853 330 P CB 0.321 31.990 31.700 -0.052 0.000 0.788 331 E N -0.176 119.949 120.200 -0.125 0.000 2.209 331 E HA -0.206 4.144 4.350 -0.000 0.000 0.196 331 E C 1.092 177.607 176.600 -0.141 0.000 0.993 331 E CA 1.004 57.337 56.400 -0.111 0.000 0.819 331 E CB -0.001 29.653 29.700 -0.077 0.000 0.745 331 E HN 0.117 nan 8.360 nan 0.000 0.477 332 K N -0.090 120.189 120.400 -0.202 0.000 2.358 332 K HA 0.018 4.338 4.320 -0.000 0.000 0.197 332 K C 0.082 176.559 176.600 -0.206 0.000 1.025 332 K CA 0.332 56.491 56.287 -0.213 0.000 1.104 332 K CB 1.062 33.386 32.500 -0.293 0.000 0.855 332 K HN -0.078 nan 8.250 nan 0.000 0.531 333 E N 0.211 120.300 120.200 -0.184 0.000 2.389 333 E HA -0.193 4.157 4.350 -0.000 0.000 0.243 333 E C -0.417 176.080 176.600 -0.171 0.000 1.154 333 E CA 0.766 57.060 56.400 -0.176 0.000 0.723 333 E CB -2.404 27.191 29.700 -0.175 0.000 1.261 333 E HN 0.345 nan 8.360 nan 0.000 0.390 334 L N -1.285 119.840 121.223 -0.164 0.000 2.386 334 L HA 0.854 5.194 4.340 -0.000 0.000 0.271 334 L C 0.372 177.179 176.870 -0.106 0.000 0.993 334 L CA 0.490 55.257 54.840 -0.122 0.000 0.819 334 L CB 1.981 43.945 42.059 -0.158 0.000 1.294 334 L HN 0.268 nan 8.230 nan 0.000 0.414 335 G N 3.997 112.769 108.800 -0.048 0.000 2.608 335 G HA2 0.614 4.574 3.960 -0.000 0.000 0.291 335 G HA3 0.614 4.574 3.960 -0.000 0.000 0.291 335 G C -2.218 172.690 174.900 0.014 0.000 1.425 335 G CA -0.440 44.635 45.100 -0.042 0.000 0.787 335 G HN 0.795 nan 8.290 nan 0.000 0.484 336 I N -0.377 120.208 120.570 0.026 0.000 2.775 336 I HA 0.622 4.792 4.170 -0.000 0.000 0.295 336 I C -1.374 174.816 176.117 0.122 0.000 1.287 336 I CA -0.939 60.419 61.300 0.097 0.000 1.029 336 I CB 2.298 40.377 38.000 0.131 0.000 1.282 336 I HN 0.400 nan 8.210 nan 0.000 0.426 337 V N 7.249 127.269 119.914 0.178 0.000 2.588 337 V HA 0.542 4.662 4.120 -0.000 0.000 0.304 337 V C -0.500 175.731 176.094 0.228 0.000 1.042 337 V CA -0.445 61.978 62.300 0.205 0.000 0.877 337 V CB 1.853 33.810 31.823 0.224 0.000 0.996 337 V HN 0.637 nan 8.190 nan 0.000 0.425 338 M N 6.140 125.886 119.600 0.242 0.000 2.093 338 M HA 0.592 5.072 4.480 -0.000 0.000 0.297 338 M C -1.327 175.080 176.300 0.180 0.000 0.938 338 M CA -0.117 55.326 55.300 0.238 0.000 0.920 338 M CB 1.807 34.594 32.600 0.312 0.000 1.517 338 M HN 0.382 nan 8.290 nan 0.000 0.427 339 L N 2.925 124.156 121.223 0.013 0.000 2.333 339 L HA 0.991 5.331 4.340 -0.000 0.000 0.280 339 L C -0.370 176.368 176.870 -0.220 0.000 1.004 339 L CA -0.709 54.002 54.840 -0.215 0.000 0.820 339 L CB 1.785 43.373 42.059 -0.785 0.000 1.247 339 L HN 0.791 nan 8.230 nan 0.000 0.416 340 A N 1.920 124.863 122.820 0.206 0.000 2.449 340 A HA 0.568 4.888 4.320 -0.000 0.000 0.302 340 A C -0.452 177.497 177.584 0.607 0.000 1.048 340 A CA -0.774 51.519 52.037 0.426 0.000 0.708 340 A CB 1.272 20.519 19.000 0.411 0.000 1.274 340 A HN 0.751 nan 8.150 nan 0.000 0.410 341 N N 1.245 120.237 118.700 0.487 0.000 2.597 341 N HA 0.172 4.912 4.740 -0.000 0.000 0.269 341 N C -0.430 175.079 175.510 -0.002 0.000 1.204 341 N CA -0.078 52.953 53.050 -0.032 0.000 0.947 341 N CB 0.177 38.612 38.487 -0.087 0.000 1.258 341 N HN 0.614 nan 8.380 nan 0.000 0.508 342 K N 0.051 120.548 120.400 0.162 0.000 2.523 342 K HA 0.241 4.561 4.320 -0.000 0.000 0.257 342 K C -1.598 175.187 176.600 0.309 0.000 0.932 342 K CA -0.712 55.688 56.287 0.188 0.000 0.812 342 K CB 1.238 33.842 32.500 0.174 0.000 1.326 342 K HN -0.047 nan 8.250 nan 0.000 0.433 343 N N 3.968 122.808 118.700 0.234 0.000 2.482 343 N HA 0.119 4.859 4.740 -0.000 0.000 0.242 343 N C -1.506 174.123 175.510 0.197 0.000 1.100 343 N CA -0.080 53.087 53.050 0.196 0.000 0.946 343 N CB -0.149 38.421 38.487 0.140 0.000 1.227 343 N HN 0.482 nan 8.380 nan 0.000 0.508 344 Y N 1.317 121.662 120.300 0.075 0.000 2.528 344 Y HA 0.774 5.324 4.550 -0.000 0.000 0.335 344 Y C -2.529 173.392 175.900 0.035 0.000 1.093 344 Y CA -3.107 55.021 58.100 0.047 0.000 1.134 344 Y CB 0.089 38.572 38.460 0.039 0.000 1.253 344 Y HN 0.259 nan 8.280 nan 0.000 0.478 345 P HA 0.024 nan 4.420 nan 0.000 0.265 345 P C 0.052 177.250 177.300 -0.171 0.000 1.193 345 P CA 0.235 63.304 63.100 -0.053 0.000 0.765 345 P CB 0.731 32.443 31.700 0.021 0.000 0.823 346 N N 4.552 123.149 118.700 -0.172 0.000 2.060 346 N HA -0.165 4.575 4.740 -0.000 0.000 0.195 346 N C -0.885 174.522 175.510 -0.172 0.000 1.028 346 N CA 1.990 54.920 53.050 -0.199 0.000 0.861 346 N CB -1.953 36.444 38.487 -0.150 0.000 1.029 346 N HN 0.459 nan 8.380 nan 0.000 0.428 347 P HA -0.020 nan 4.420 nan 0.000 0.220 347 P C 1.020 178.297 177.300 -0.039 0.000 1.148 347 P CA 1.317 64.372 63.100 -0.076 0.000 0.803 347 P CB -0.068 31.603 31.700 -0.049 0.000 0.782 348 A N 0.115 122.938 122.820 0.006 0.000 1.930 348 A HA -0.193 4.127 4.320 -0.000 0.000 0.217 348 A C 2.204 179.863 177.584 0.126 0.000 1.175 348 A CA 1.245 53.340 52.037 0.097 0.000 0.627 348 A CB -0.883 18.246 19.000 0.216 0.000 0.815 348 A HN 0.106 nan 8.150 nan 0.000 0.443 349 R N -0.543 119.974 120.500 0.030 0.000 2.070 349 R HA -0.080 4.260 4.340 -0.000 0.000 0.233 349 R C 1.994 178.234 176.300 -0.101 0.000 1.137 349 R CA 1.570 57.667 56.100 -0.005 0.000 0.945 349 R CB -0.765 29.403 30.300 -0.221 0.000 0.845 349 R HN 0.369 nan 8.270 nan 0.000 0.430 350 V N 1.697 121.441 119.914 -0.282 0.000 2.358 350 V HA -0.233 3.887 4.120 -0.000 0.000 0.246 350 V C 1.975 178.136 176.094 0.112 0.000 1.047 350 V CA 2.140 64.312 62.300 -0.214 0.000 1.035 350 V CB -0.619 31.084 31.823 -0.200 0.000 0.658 350 V HN 0.340 nan 8.190 nan 0.000 0.452 351 D N 0.562 121.005 120.400 0.072 0.000 2.104 351 D HA -0.195 4.445 4.640 -0.000 0.000 0.194 351 D C 2.112 178.544 176.300 0.221 0.000 0.994 351 D CA 1.696 55.782 54.000 0.142 0.000 0.830 351 D CB -0.166 40.679 40.800 0.075 0.000 0.959 351 D HN 0.363 nan 8.370 nan 0.000 0.452 352 A N 0.480 123.404 122.820 0.174 0.000 1.877 352 A HA -0.002 4.318 4.320 -0.000 0.000 0.216 352 A C 2.422 180.150 177.584 0.240 0.000 1.186 352 A CA 2.329 54.468 52.037 0.169 0.000 0.620 352 A CB -1.245 17.832 19.000 0.129 0.000 0.822 352 A HN 0.372 nan 8.150 nan 0.000 0.443 353 A N -1.187 121.843 122.820 0.350 0.000 1.902 353 A HA -0.199 4.121 4.320 -0.000 0.000 0.217 353 A C 2.124 180.036 177.584 0.546 0.000 1.181 353 A CA 1.437 53.765 52.037 0.485 0.000 0.623 353 A CB -0.961 18.516 19.000 0.796 0.000 0.818 353 A HN 0.893 nan 8.150 nan 0.000 0.443 354 W N 0.698 122.229 121.300 0.384 0.000 2.358 354 W HA -0.204 4.456 4.660 -0.000 0.000 0.303 354 W C 1.822 178.475 176.519 0.224 0.000 1.208 354 W CA 2.004 59.528 57.345 0.298 0.000 1.274 354 W CB -0.258 29.239 29.460 0.063 0.000 1.138 354 W HN 0.393 nan 8.180 nan 0.000 0.515 355 Q N 0.732 120.611 119.800 0.131 0.000 2.096 355 Q HA -0.205 4.135 4.340 -0.000 0.000 0.204 355 Q C 2.258 178.211 176.000 -0.079 0.000 0.982 355 Q CA 2.090 57.879 55.803 -0.022 0.000 0.850 355 Q CB -0.981 27.803 28.738 0.076 0.000 0.901 355 Q HN 0.493 nan 8.270 nan 0.000 0.422 356 I N 0.162 120.740 120.570 0.012 0.000 2.193 356 I HA -0.235 3.935 4.170 -0.000 0.000 0.240 356 I C 2.283 178.389 176.117 -0.020 0.000 1.084 356 I CA 0.792 62.091 61.300 -0.001 0.000 1.365 356 I CB -0.244 37.779 38.000 0.038 0.000 1.064 356 I HN 0.103 nan 8.210 nan 0.000 0.410 357 L N 0.310 121.551 121.223 0.030 0.000 2.093 357 L HA -0.186 4.153 4.340 -0.000 0.000 0.208 357 L C 2.212 179.031 176.870 -0.086 0.000 1.085 357 L CA 1.247 56.100 54.840 0.022 0.000 0.755 357 L CB -0.732 41.412 42.059 0.142 0.000 0.904 357 L HN 0.325 nan 8.230 nan 0.000 0.435 358 N N 0.430 118.936 118.700 -0.323 0.000 2.309 358 N HA -0.120 4.620 4.740 -0.000 0.000 0.182 358 N C 1.718 177.115 175.510 -0.187 0.000 1.018 358 N CA 1.226 54.012 53.050 -0.439 0.000 0.876 358 N CB 0.090 37.875 38.487 -1.170 0.000 0.972 358 N HN 0.269 nan 8.380 nan 0.000 0.434 359 A N -0.130 122.601 122.820 -0.148 0.000 1.968 359 A HA 0.049 4.369 4.320 -0.000 0.000 0.217 359 A C 2.017 179.586 177.584 -0.025 0.000 1.169 359 A CA 0.786 52.779 52.037 -0.072 0.000 0.638 359 A CB -0.347 18.612 19.000 -0.069 0.000 0.812 359 A HN 0.338 nan 8.150 nan 0.000 0.446 360 L N -0.664 120.556 121.223 -0.005 0.000 2.513 360 L HA 0.046 4.386 4.340 -0.000 0.000 0.222 360 L C 1.688 178.640 176.870 0.137 0.000 1.096 360 L CA -0.130 54.756 54.840 0.077 0.000 0.857 360 L CB -0.207 41.914 42.059 0.105 0.000 1.026 360 L HN 0.519 nan 8.230 nan 0.000 0.469 361 Q N 0.000 119.835 119.800 0.058 0.000 2.315 361 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 361 Q CA 0.000 55.825 55.803 0.037 0.000 1.022 361 Q CB 0.000 28.767 28.738 0.048 0.000 1.108 361 Q HN 0.000 nan 8.270 nan 0.000 0.481