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 1fcm_1_B DATA FIRST_RESID 1 DATA SEQUENCE APQQINDIVH RTITPLIEQQ KIPGMAVAVI YQGKPYYFTW GYADIAKKQP DATA SEQUENCE VTQQTLFELG SVSKTFTGVL GGDAIARGEI KLSDPTTKYW PELTAKQWNG DATA SEQUENCE ITLLHLATYT AGGLPLLVPD EVKSSSDLLR FYQNWQPAWA PGTQRLEANS 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 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.576 177.584 -0.013 0.000 1.274 1 A CA 0.000 52.087 52.037 0.083 0.000 0.836 1 A CB 0.000 19.096 19.000 0.160 0.000 0.831 2 P HA 0.026 nan 4.420 nan 0.000 0.257 2 P C 0.913 178.123 177.300 -0.149 0.000 1.162 2 P CA 0.494 63.499 63.100 -0.159 0.000 0.762 2 P CB 0.366 31.875 31.700 -0.318 0.000 0.753 3 Q N 2.211 121.961 119.800 -0.083 0.000 2.124 3 Q HA -0.338 4.002 4.340 -0.000 0.000 0.215 3 Q C 1.848 177.807 176.000 -0.068 0.000 1.015 3 Q CA 1.930 57.702 55.803 -0.053 0.000 0.890 3 Q CB -0.243 28.477 28.738 -0.031 0.000 0.966 3 Q HN 0.614 nan 8.270 nan 0.000 0.412 4 Q N -0.038 119.699 119.800 -0.104 0.000 2.047 4 Q HA -0.232 4.107 4.340 -0.000 0.000 0.211 4 Q C 2.202 178.138 176.000 -0.106 0.000 1.005 4 Q CA 1.871 57.615 55.803 -0.098 0.000 0.866 4 Q CB -0.330 28.337 28.738 -0.118 0.000 0.938 4 Q HN 0.494 nan 8.270 nan 0.000 0.414 5 I N 0.264 120.718 120.570 -0.194 0.000 2.179 5 I HA -0.303 3.867 4.170 -0.000 0.000 0.242 5 I C 1.979 178.081 176.117 -0.026 0.000 1.088 5 I CA 1.294 62.503 61.300 -0.150 0.000 1.357 5 I CB -0.567 37.259 38.000 -0.290 0.000 1.051 5 I HN 0.294 nan 8.210 nan 0.000 0.409 6 N N 0.459 119.193 118.700 0.056 0.000 2.149 6 N HA -0.251 4.489 4.740 -0.000 0.000 0.188 6 N C 1.519 177.091 175.510 0.103 0.000 1.019 6 N CA 1.540 54.686 53.050 0.160 0.000 0.857 6 N CB -0.046 38.517 38.487 0.128 0.000 0.997 6 N HN 0.355 nan 8.380 nan 0.000 0.426 7 D N 0.596 121.030 120.400 0.057 0.000 2.103 7 D HA -0.068 4.572 4.640 -0.000 0.000 0.199 7 D C 1.934 178.270 176.300 0.060 0.000 0.978 7 D CA 0.893 54.937 54.000 0.075 0.000 0.829 7 D CB 0.105 40.931 40.800 0.043 0.000 0.981 7 D HN 0.336 nan 8.370 nan 0.000 0.464 8 I N -1.299 119.278 120.570 0.012 0.000 2.353 8 I HA -0.096 4.074 4.170 -0.000 0.000 0.248 8 I C 2.224 178.332 176.117 -0.014 0.000 1.119 8 I CA 0.396 61.695 61.300 -0.001 0.000 1.417 8 I CB -0.598 37.392 38.000 -0.018 0.000 1.078 8 I HN -0.110 nan 8.210 nan 0.000 0.421 9 V N 1.440 121.306 119.914 -0.080 0.000 2.287 9 V HA -0.335 3.785 4.120 -0.000 0.000 0.248 9 V C 2.700 178.838 176.094 0.073 0.000 1.053 9 V CA 2.566 64.764 62.300 -0.170 0.000 1.027 9 V CB -1.177 30.193 31.823 -0.754 0.000 0.646 9 V HN 0.585 nan 8.190 nan 0.000 0.447 10 H N 0.507 119.598 119.070 0.035 0.000 2.326 10 H HA -0.109 4.447 4.556 -0.000 0.000 0.301 10 H C 2.582 177.977 175.328 0.112 0.000 1.081 10 H CA 1.599 57.737 56.048 0.149 0.000 1.334 10 H CB 0.194 30.031 29.762 0.126 0.000 1.385 10 H HN 0.312 nan 8.280 nan 0.000 0.504 11 R N -0.361 120.123 120.500 -0.027 0.000 2.193 11 R HA -0.063 4.277 4.340 -0.000 0.000 0.229 11 R C 1.882 178.149 176.300 -0.054 0.000 1.110 11 R CA 1.472 57.517 56.100 -0.091 0.000 0.988 11 R CB -0.057 30.226 30.300 -0.028 0.000 0.871 11 R HN 0.359 nan 8.270 nan 0.000 0.458 12 T N 0.913 115.457 114.554 -0.017 0.000 2.980 12 T HA 0.115 4.465 4.350 -0.000 0.000 0.239 12 T C 1.936 176.613 174.700 -0.039 0.000 1.011 12 T CA 0.286 62.381 62.100 -0.009 0.000 1.171 12 T CB 0.134 69.013 68.868 0.017 0.000 0.873 12 T HN -0.032 nan 8.240 nan 0.000 0.431 13 I N 2.095 122.633 120.570 -0.054 0.000 2.233 13 I HA -0.084 4.085 4.170 -0.000 0.000 0.243 13 I C 2.611 178.538 176.117 -0.317 0.000 1.093 13 I CA 1.416 62.597 61.300 -0.197 0.000 1.380 13 I CB -1.847 35.972 38.000 -0.302 0.000 1.067 13 I HN 0.257 nan 8.210 nan 0.000 0.413 14 T N 2.015 116.493 114.554 -0.125 0.000 2.720 14 T HA -0.088 4.261 4.350 -0.000 0.000 0.268 14 T C -0.282 174.348 174.700 -0.118 0.000 1.037 14 T CA 1.651 63.718 62.100 -0.055 0.000 1.144 14 T CB -1.237 67.836 68.868 0.342 0.000 0.864 14 T HN 0.239 nan 8.240 nan 0.000 0.444 15 P HA 0.031 nan 4.420 nan 0.000 0.216 15 P C 1.662 178.900 177.300 -0.104 0.000 1.153 15 P CA 0.405 63.453 63.100 -0.087 0.000 0.844 15 P CB -0.151 31.507 31.700 -0.070 0.000 0.787 16 L N -0.299 120.849 121.223 -0.126 0.000 2.021 16 L HA -0.204 4.136 4.340 -0.000 0.000 0.215 16 L C 2.126 178.874 176.870 -0.204 0.000 1.074 16 L CA 1.921 56.681 54.840 -0.133 0.000 0.760 16 L CB -1.134 40.847 42.059 -0.130 0.000 0.889 16 L HN -0.114 nan 8.230 nan 0.000 0.433 17 I N -0.660 119.738 120.570 -0.286 0.000 2.335 17 I HA -0.249 3.921 4.170 -0.000 0.000 0.251 17 I C 2.324 178.332 176.117 -0.182 0.000 1.129 17 I CA 0.941 62.057 61.300 -0.305 0.000 1.402 17 I CB -0.426 37.339 38.000 -0.391 0.000 1.069 17 I HN 0.385 nan 8.210 nan 0.000 0.424 18 E N 0.628 120.752 120.200 -0.128 0.000 2.033 18 E HA -0.190 4.160 4.350 -0.000 0.000 0.189 18 E C 2.165 178.727 176.600 -0.063 0.000 0.979 18 E CA 1.106 57.462 56.400 -0.073 0.000 0.802 18 E CB -0.421 29.252 29.700 -0.044 0.000 0.763 18 E HN 0.509 nan 8.360 nan 0.000 0.449 19 Q N 0.514 120.278 119.800 -0.060 0.000 2.234 19 Q HA -0.111 4.229 4.340 -0.000 0.000 0.206 19 Q C 1.778 177.756 176.000 -0.036 0.000 0.980 19 Q CA 1.126 56.907 55.803 -0.036 0.000 0.869 19 Q CB 0.070 28.795 28.738 -0.022 0.000 0.912 19 Q HN 0.188 nan 8.270 nan 0.000 0.436 20 Q N -0.039 119.715 119.800 -0.076 0.000 2.282 20 Q HA 0.109 4.449 4.340 -0.000 0.000 0.206 20 Q C -0.383 175.569 176.000 -0.080 0.000 0.878 20 Q CA 0.120 55.879 55.803 -0.073 0.000 0.944 20 Q CB 0.810 29.453 28.738 -0.159 0.000 1.100 20 Q HN 0.313 nan 8.270 nan 0.000 0.509 21 K N 0.645 120.994 120.400 -0.084 0.000 3.096 21 K HA -0.182 4.138 4.320 -0.000 0.000 0.266 21 K C -0.375 176.179 176.600 -0.077 0.000 1.043 21 K CA 0.429 56.678 56.287 -0.065 0.000 0.758 21 K CB -2.495 29.984 32.500 -0.034 0.000 1.260 21 K HN 0.274 nan 8.250 nan 0.000 0.481 22 I N 1.325 121.813 120.570 -0.136 0.000 2.517 22 I HA -0.006 4.164 4.170 -0.000 0.000 0.285 22 I C -0.821 175.272 176.117 -0.040 0.000 1.106 22 I CA -1.859 59.369 61.300 -0.121 0.000 1.402 22 I CB 0.585 38.434 38.000 -0.252 0.000 1.399 22 I HN -0.019 nan 8.210 nan 0.000 0.535 23 P HA -0.084 nan 4.420 nan 0.000 0.213 23 P C 0.421 177.799 177.300 0.130 0.000 1.170 23 P CA 0.730 63.856 63.100 0.044 0.000 0.898 23 P CB 0.194 31.895 31.700 0.002 0.000 0.787 24 G N -1.679 107.254 108.800 0.221 0.000 2.563 24 G HA2 0.705 4.665 3.960 -0.000 0.000 0.302 24 G HA3 0.705 4.665 3.960 -0.000 0.000 0.302 24 G C -1.739 173.386 174.900 0.375 0.000 1.301 24 G CA -0.400 44.890 45.100 0.317 0.000 0.965 24 G HN 0.066 nan 8.290 nan 0.000 0.480 25 M N 0.893 120.744 119.600 0.419 0.000 2.413 25 M HA 0.676 5.156 4.480 -0.000 0.000 0.287 25 M C -1.425 175.171 176.300 0.493 0.000 1.186 25 M CA -0.550 54.949 55.300 0.331 0.000 0.927 25 M CB 2.308 34.931 32.600 0.037 0.000 1.715 25 M HN 0.885 nan 8.290 nan 0.000 0.478 26 A N 3.447 126.418 122.820 0.252 0.000 2.356 26 A HA 0.860 5.180 4.320 -0.000 0.000 0.310 26 A C -1.697 176.092 177.584 0.341 0.000 1.075 26 A CA -0.601 51.635 52.037 0.330 0.000 0.746 26 A CB 1.603 20.701 19.000 0.163 0.000 1.221 26 A HN 0.622 nan 8.150 nan 0.000 0.443 27 V N 1.536 121.791 119.914 0.568 0.000 2.569 27 V HA 0.684 4.804 4.120 -0.000 0.000 0.301 27 V C 0.062 176.529 176.094 0.622 0.000 1.044 27 V CA -0.286 62.327 62.300 0.522 0.000 0.874 27 V CB 1.603 33.749 31.823 0.538 0.000 1.002 27 V HN 1.336 nan 8.190 nan 0.000 0.424 28 A N 4.686 127.795 122.820 0.482 0.000 2.303 28 A HA 0.876 5.196 4.320 -0.000 0.000 0.320 28 A C -0.809 176.965 177.584 0.316 0.000 1.192 28 A CA -0.548 51.749 52.037 0.434 0.000 0.821 28 A CB 1.532 20.801 19.000 0.449 0.000 1.188 28 A HN 0.663 nan 8.150 nan 0.000 0.492 29 V N 3.775 123.898 119.914 0.350 0.000 2.459 29 V HA 0.334 4.454 4.120 -0.000 0.000 0.295 29 V C -0.652 175.584 176.094 0.236 0.000 1.029 29 V CA -0.319 62.140 62.300 0.265 0.000 0.874 29 V CB 1.394 33.379 31.823 0.270 0.000 0.985 29 V HN 0.746 nan 8.190 nan 0.000 0.438 30 I N 5.700 126.358 120.570 0.148 0.000 2.315 30 I HA 0.354 4.523 4.170 -0.000 0.000 0.291 30 I C -0.717 175.506 176.117 0.176 0.000 1.006 30 I CA -0.172 61.201 61.300 0.122 0.000 1.265 30 I CB 0.841 38.841 38.000 -0.000 0.000 1.387 30 I HN 0.579 nan 8.210 nan 0.000 0.475 31 Y N 5.460 125.822 120.300 0.104 0.000 2.327 31 Y HA 0.363 4.913 4.550 -0.000 0.000 0.325 31 Y C 0.045 175.977 175.900 0.054 0.000 0.999 31 Y CA -0.948 57.180 58.100 0.047 0.000 1.195 31 Y CB 0.977 39.432 38.460 -0.009 0.000 1.132 31 Y HN 0.660 nan 8.280 nan 0.000 0.455 32 Q N 4.603 124.288 119.800 -0.191 0.000 2.443 32 Q HA -0.214 4.126 4.340 -0.000 0.000 0.337 32 Q C 1.053 177.070 176.000 0.028 0.000 1.401 32 Q CA 1.308 57.053 55.803 -0.096 0.000 0.943 32 Q CB -1.202 27.540 28.738 0.006 0.000 1.177 32 Q HN 1.362 nan 8.270 nan 0.000 0.394 33 G N -0.196 108.593 108.800 -0.018 0.000 2.212 33 G HA2 -0.357 3.603 3.960 -0.000 0.000 0.267 33 G HA3 -0.357 3.603 3.960 -0.000 0.000 0.267 33 G C -0.060 174.843 174.900 0.005 0.000 1.002 33 G CA 0.934 46.021 45.100 -0.022 0.000 0.729 33 G HN 0.293 nan 8.290 nan 0.000 0.517 34 K N 0.539 120.984 120.400 0.074 0.000 2.397 34 K HA 0.427 4.747 4.320 -0.000 0.000 0.253 34 K C -2.669 173.882 176.600 -0.083 0.000 0.932 34 K CA -1.855 54.418 56.287 -0.022 0.000 0.795 34 K CB 3.365 35.857 32.500 -0.014 0.000 1.159 34 K HN 0.037 nan 8.250 nan 0.000 0.424 35 P HA 0.260 nan 4.420 nan 0.000 0.279 35 P C -1.361 175.399 177.300 -0.899 0.000 1.252 35 P CA -0.355 62.474 63.100 -0.452 0.000 0.811 35 P CB 0.700 32.079 31.700 -0.536 0.000 1.035 36 Y N -0.074 119.896 120.300 -0.549 0.000 2.330 36 Y HA 0.355 4.904 4.550 -0.000 0.000 0.324 36 Y C -0.379 175.148 175.900 -0.622 0.000 1.093 36 Y CA -0.524 57.280 58.100 -0.493 0.000 1.103 36 Y CB 1.492 39.857 38.460 -0.158 0.000 1.183 36 Y HN 0.246 nan 8.280 nan 0.000 0.433 37 Y N 2.970 123.058 120.300 -0.353 0.000 2.342 37 Y HA 0.666 5.215 4.550 -0.000 0.000 0.334 37 Y C -0.749 174.723 175.900 -0.713 0.000 1.067 37 Y CA -1.185 56.741 58.100 -0.291 0.000 1.128 37 Y CB 1.211 39.607 38.460 -0.107 0.000 1.200 37 Y HN 0.368 nan 8.280 nan 0.000 0.464 38 F N 0.526 120.569 119.950 0.156 0.000 2.529 38 F HA 0.601 5.127 4.527 -0.000 0.000 0.320 38 F C 0.023 175.672 175.800 -0.251 0.000 1.118 38 F CA -0.830 57.053 58.000 -0.194 0.000 0.915 38 F CB 2.173 41.022 39.000 -0.252 0.000 1.161 38 F HN 0.298 nan 8.300 nan 0.000 0.445 39 T N 2.484 116.832 114.554 -0.342 0.000 2.908 39 T HA 0.532 4.882 4.350 -0.000 0.000 0.290 39 T C -1.309 173.262 174.700 -0.214 0.000 1.034 39 T CA -0.588 61.479 62.100 -0.055 0.000 1.010 39 T CB 1.394 70.271 68.868 0.015 0.000 1.068 39 T HN 0.501 nan 8.240 nan 0.000 0.481 40 W N 0.066 121.443 121.300 0.129 0.000 3.025 40 W HA 0.445 5.105 4.660 -0.000 0.000 0.343 40 W C 0.815 177.351 176.519 0.028 0.000 1.246 40 W CA -0.709 56.678 57.345 0.069 0.000 1.178 40 W CB 0.919 30.426 29.460 0.078 0.000 1.463 40 W HN 1.080 nan 8.180 nan 0.000 0.578 41 G N 0.922 109.829 108.800 0.179 0.000 2.549 41 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.338 41 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.338 41 G C -1.095 173.728 174.900 -0.128 0.000 1.342 41 G CA 0.465 45.517 45.100 -0.081 0.000 0.935 41 G HN 0.494 nan 8.290 nan 0.000 0.534 42 Y N -0.494 119.897 120.300 0.153 0.000 2.457 42 Y HA 0.542 5.092 4.550 -0.000 0.000 0.333 42 Y C 1.340 177.359 175.900 0.198 0.000 1.119 42 Y CA -0.307 57.881 58.100 0.147 0.000 1.143 42 Y CB 2.012 40.527 38.460 0.091 0.000 1.230 42 Y HN 0.656 nan 8.280 nan 0.000 0.469 43 A N 0.481 123.533 122.820 0.387 0.000 2.147 43 A HA 0.064 4.384 4.320 -0.000 0.000 0.211 43 A C -0.041 177.752 177.584 0.348 0.000 1.160 43 A CA 0.848 53.054 52.037 0.281 0.000 0.781 43 A CB 0.170 19.265 19.000 0.158 0.000 0.842 43 A HN 0.662 nan 8.150 nan 0.000 0.475 44 D N -0.797 119.817 120.400 0.357 0.000 2.354 44 D HA 0.291 4.931 4.640 -0.000 0.000 0.230 44 D C 0.594 176.960 176.300 0.110 0.000 1.361 44 D CA -0.388 53.828 54.000 0.360 0.000 0.992 44 D CB 0.435 41.422 40.800 0.312 0.000 1.409 44 D HN 0.115 nan 8.370 nan 0.000 0.573 45 I N 1.844 122.446 120.570 0.053 0.000 2.226 45 I HA -0.188 3.982 4.170 -0.000 0.000 0.245 45 I C 2.517 178.474 176.117 -0.267 0.000 1.100 45 I CA 1.162 62.315 61.300 -0.246 0.000 1.374 45 I CB -0.266 37.575 38.000 -0.266 0.000 1.057 45 I HN 0.367 nan 8.210 nan 0.000 0.413 46 A N 1.407 124.152 122.820 -0.125 0.000 1.841 46 A HA -0.192 4.128 4.320 -0.000 0.000 0.216 46 A C 2.075 179.581 177.584 -0.130 0.000 1.199 46 A CA 1.666 53.630 52.037 -0.123 0.000 0.621 46 A CB -0.409 18.529 19.000 -0.104 0.000 0.835 46 A HN 0.229 nan 8.150 nan 0.000 0.445 47 K N 0.100 120.451 120.400 -0.082 0.000 2.551 47 K HA 0.060 4.380 4.320 -0.000 0.000 0.192 47 K C -0.011 176.516 176.600 -0.122 0.000 1.027 47 K CA 0.321 56.570 56.287 -0.062 0.000 1.059 47 K CB -0.279 32.230 32.500 0.015 0.000 0.831 47 K HN 0.607 nan 8.250 nan 0.000 0.508 48 K N 1.331 121.542 120.400 -0.315 0.000 3.010 48 K HA -0.258 4.062 4.320 -0.000 0.000 0.255 48 K C 0.215 176.730 176.600 -0.142 0.000 0.929 48 K CA 0.549 56.459 56.287 -0.627 0.000 0.687 48 K CB -1.225 31.010 32.500 -0.442 0.000 1.304 48 K HN 0.455 nan 8.250 nan 0.000 0.479 49 Q N 0.997 120.805 119.800 0.014 0.000 2.314 49 Q HA 0.186 4.526 4.340 -0.000 0.000 0.258 49 Q C -2.231 173.974 176.000 0.341 0.000 0.954 49 Q CA -1.560 54.336 55.803 0.156 0.000 0.890 49 Q CB 1.033 29.847 28.738 0.126 0.000 1.210 49 Q HN -0.005 nan 8.270 nan 0.000 0.410 50 P HA 0.173 nan 4.420 nan 0.000 0.285 50 P C -0.888 176.538 177.300 0.210 0.000 1.285 50 P CA -0.536 62.739 63.100 0.292 0.000 0.854 50 P CB 1.210 33.020 31.700 0.183 0.000 1.180 51 V N 0.681 120.725 119.914 0.217 0.000 2.775 51 V HA 0.409 4.529 4.120 -0.000 0.000 0.299 51 V C 1.177 177.374 176.094 0.172 0.000 1.062 51 V CA 0.472 62.916 62.300 0.240 0.000 1.063 51 V CB 0.418 32.471 31.823 0.383 0.000 0.994 51 V HN 0.935 nan 8.190 nan 0.000 0.483 52 T N 1.127 115.769 114.554 0.146 0.000 2.654 52 T HA 0.351 4.701 4.350 -0.000 0.000 0.289 52 T C 0.296 175.027 174.700 0.051 0.000 1.062 52 T CA -0.657 61.484 62.100 0.068 0.000 1.041 52 T CB 1.579 70.462 68.868 0.025 0.000 1.417 52 T HN 0.256 nan 8.240 nan 0.000 0.510 53 Q N -0.292 119.480 119.800 -0.047 0.000 2.500 53 Q HA 0.143 4.483 4.340 -0.000 0.000 0.213 53 Q C 1.740 177.683 176.000 -0.095 0.000 0.974 53 Q CA 1.298 57.020 55.803 -0.135 0.000 0.918 53 Q CB -0.168 28.421 28.738 -0.248 0.000 0.980 53 Q HN 0.643 nan 8.270 nan 0.000 0.505 54 Q N -1.386 118.371 119.800 -0.072 0.000 2.217 54 Q HA 0.144 4.484 4.340 -0.000 0.000 0.217 54 Q C -0.464 175.504 176.000 -0.053 0.000 0.844 54 Q CA -0.043 55.684 55.803 -0.127 0.000 0.957 54 Q CB 1.186 29.791 28.738 -0.221 0.000 1.127 54 Q HN 0.098 nan 8.270 nan 0.000 0.503 55 T N 1.435 116.008 114.554 0.031 0.000 2.867 55 T HA 0.095 4.445 4.350 -0.000 0.000 0.297 55 T C -0.010 174.687 174.700 -0.006 0.000 0.989 55 T CA 0.284 62.383 62.100 -0.001 0.000 1.159 55 T CB 0.318 69.203 68.868 0.028 0.000 0.928 55 T HN 0.172 nan 8.240 nan 0.000 0.538 56 L N 3.846 125.012 121.223 -0.094 0.000 2.305 56 L HA 0.483 4.823 4.340 -0.000 0.000 0.281 56 L C -0.418 176.330 176.870 -0.203 0.000 1.085 56 L CA -0.415 54.365 54.840 -0.099 0.000 0.813 56 L CB 0.455 42.386 42.059 -0.214 0.000 1.157 56 L HN 0.563 nan 8.230 nan 0.000 0.436 57 F N 1.077 120.987 119.950 -0.067 0.000 2.522 57 F HA 0.335 4.862 4.527 -0.000 0.000 0.324 57 F C 0.378 175.913 175.800 -0.442 0.000 1.077 57 F CA -0.743 57.179 58.000 -0.130 0.000 0.944 57 F CB 1.648 40.715 39.000 0.113 0.000 1.175 57 F HN 0.373 nan 8.300 nan 0.000 0.468 58 E N 2.824 122.523 120.200 -0.836 0.000 2.180 58 E HA 0.187 4.537 4.350 -0.000 0.000 0.283 58 E C 0.541 177.062 176.600 -0.131 0.000 1.061 58 E CA -0.037 56.003 56.400 -0.600 0.000 0.861 58 E CB 0.730 29.892 29.700 -0.896 0.000 1.056 58 E HN 0.636 nan 8.360 nan 0.000 0.407 59 L N 3.151 124.362 121.223 -0.019 0.000 2.418 59 L HA 0.067 4.407 4.340 -0.000 0.000 0.218 59 L C 1.437 178.395 176.870 0.146 0.000 1.125 59 L CA 0.533 55.434 54.840 0.101 0.000 0.835 59 L CB -0.776 41.343 42.059 0.100 0.000 0.953 59 L HN 0.884 nan 8.230 nan 0.000 0.454 60 G N 0.317 109.202 108.800 0.143 0.000 2.596 60 G HA2 -0.391 3.569 3.960 -0.000 0.000 0.295 60 G HA3 -0.391 3.569 3.960 -0.000 0.000 0.295 60 G C 0.838 175.869 174.900 0.218 0.000 1.240 60 G CA 0.352 45.567 45.100 0.192 0.000 0.985 60 G HN 0.197 nan 8.290 nan 0.000 0.555 61 S N -0.369 115.447 115.700 0.192 0.000 2.465 61 S HA -0.014 4.456 4.470 -0.000 0.000 0.241 61 S C 2.376 177.067 174.600 0.152 0.000 1.000 61 S CA 1.379 59.688 58.200 0.182 0.000 0.964 61 S CB -0.167 63.118 63.200 0.141 0.000 0.763 61 S HN 0.766 nan 8.310 nan 0.000 0.512 62 V N 1.609 121.616 119.914 0.154 0.000 2.867 62 V HA -0.114 4.006 4.120 -0.000 0.000 0.260 62 V C 2.005 178.194 176.094 0.159 0.000 1.099 62 V CA 1.365 63.742 62.300 0.128 0.000 1.122 62 V CB -0.694 31.238 31.823 0.182 0.000 0.708 62 V HN 0.445 nan 8.190 nan 0.000 0.490 63 S N -0.525 115.303 115.700 0.214 0.000 2.474 63 S HA -0.151 4.319 4.470 -0.000 0.000 0.235 63 S C 1.882 176.634 174.600 0.252 0.000 0.997 63 S CA 0.871 59.244 58.200 0.289 0.000 0.949 63 S CB -0.204 63.099 63.200 0.171 0.000 0.766 63 S HN 0.620 nan 8.310 nan 0.000 0.517 64 K N 1.029 121.519 120.400 0.151 0.000 2.211 64 K HA -0.082 4.238 4.320 -0.000 0.000 0.203 64 K C 2.449 179.054 176.600 0.008 0.000 1.050 64 K CA 1.566 57.922 56.287 0.115 0.000 0.945 64 K CB -0.318 32.263 32.500 0.134 0.000 0.732 64 K HN 0.570 nan 8.250 nan 0.000 0.451 65 T N -1.542 112.901 114.554 -0.184 0.000 2.951 65 T HA -0.068 4.282 4.350 -0.000 0.000 0.268 65 T C 1.675 176.363 174.700 -0.021 0.000 1.073 65 T CA 0.698 62.515 62.100 -0.471 0.000 1.134 65 T CB -0.301 67.745 68.868 -1.370 0.000 0.884 65 T HN 0.004 nan 8.240 nan 0.000 0.479 66 F N 2.236 122.222 119.950 0.060 0.000 2.259 66 F HA 0.081 4.608 4.527 -0.000 0.000 0.298 66 F C 2.858 178.691 175.800 0.055 0.000 1.088 66 F CA 1.199 59.188 58.000 -0.020 0.000 1.358 66 F CB -0.812 38.048 39.000 -0.233 0.000 1.040 66 F HN 0.178 nan 8.300 nan 0.000 0.505 67 T N -0.985 113.742 114.554 0.290 0.000 2.942 67 T HA -0.030 4.320 4.350 -0.000 0.000 0.265 67 T C 2.387 177.277 174.700 0.318 0.000 1.062 67 T CA 1.119 63.409 62.100 0.318 0.000 1.139 67 T CB -0.835 68.241 68.868 0.347 0.000 0.883 67 T HN 0.395 nan 8.240 nan 0.000 0.468 68 G N 1.384 110.328 108.800 0.241 0.000 2.421 68 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.216 68 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.216 68 G C 1.676 176.726 174.900 0.251 0.000 1.171 68 G CA 0.782 46.012 45.100 0.217 0.000 0.775 68 G HN 0.414 nan 8.290 nan 0.000 0.543 69 V N 0.681 120.756 119.914 0.269 0.000 2.343 69 V HA -0.125 3.995 4.120 -0.000 0.000 0.247 69 V C 2.686 178.896 176.094 0.194 0.000 1.051 69 V CA 1.586 64.055 62.300 0.281 0.000 1.036 69 V CB -0.415 31.678 31.823 0.450 0.000 0.654 69 V HN 0.334 nan 8.190 nan 0.000 0.451 70 L N 1.383 122.693 121.223 0.145 0.000 2.017 70 L HA 0.004 4.344 4.340 -0.000 0.000 0.208 70 L C 2.373 179.267 176.870 0.040 0.000 1.073 70 L CA 2.421 57.272 54.840 0.019 0.000 0.745 70 L CB -1.481 40.509 42.059 -0.116 0.000 0.894 70 L HN 0.266 nan 8.230 nan 0.000 0.432 71 G N -0.944 107.938 108.800 0.137 0.000 2.446 71 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.217 71 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.217 71 G C 1.535 176.553 174.900 0.197 0.000 1.168 71 G CA 0.683 45.908 45.100 0.209 0.000 0.771 71 G HN 0.602 nan 8.290 nan 0.000 0.551 72 G N 0.615 109.531 108.800 0.193 0.000 2.422 72 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.218 72 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.218 72 G C 1.457 176.413 174.900 0.094 0.000 1.146 72 G CA 1.396 46.583 45.100 0.145 0.000 0.769 72 G HN 0.546 nan 8.290 nan 0.000 0.547 73 D N 0.445 120.890 120.400 0.074 0.000 2.219 73 D HA 0.089 4.729 4.640 -0.000 0.000 0.205 73 D C 2.553 178.857 176.300 0.008 0.000 0.970 73 D CA 1.309 55.330 54.000 0.035 0.000 0.851 73 D CB -0.217 40.595 40.800 0.020 0.000 0.943 73 D HN 0.250 nan 8.370 nan 0.000 0.488 74 A N -0.005 122.812 122.820 -0.005 0.000 1.929 74 A HA -0.018 4.301 4.320 -0.000 0.000 0.216 74 A C 2.259 179.836 177.584 -0.011 0.000 1.176 74 A CA 0.846 52.860 52.037 -0.037 0.000 0.628 74 A CB -0.620 18.323 19.000 -0.094 0.000 0.816 74 A HN 0.364 nan 8.150 nan 0.000 0.444 75 I N -0.027 120.557 120.570 0.023 0.000 2.113 75 I HA -0.280 3.889 4.170 -0.000 0.000 0.238 75 I C 2.989 179.126 176.117 0.034 0.000 1.070 75 I CA 1.191 62.516 61.300 0.041 0.000 1.332 75 I CB -0.522 37.522 38.000 0.073 0.000 1.044 75 I HN 0.318 nan 8.210 nan 0.000 0.402 76 A N 0.824 123.665 122.820 0.035 0.000 1.948 76 A HA -0.244 4.075 4.320 -0.000 0.000 0.220 76 A C 2.360 179.953 177.584 0.015 0.000 1.177 76 A CA 1.794 53.847 52.037 0.026 0.000 0.636 76 A CB -0.714 18.301 19.000 0.026 0.000 0.815 76 A HN 0.362 nan 8.150 nan 0.000 0.449 77 R N -1.762 118.742 120.500 0.007 0.000 2.237 77 R HA 0.104 4.444 4.340 -0.000 0.000 0.219 77 R C 1.375 177.678 176.300 0.004 0.000 1.080 77 R CA 0.662 56.761 56.100 -0.002 0.000 0.995 77 R CB -0.220 30.071 30.300 -0.015 0.000 0.875 77 R HN 0.794 nan 8.270 nan 0.000 0.462 78 G N 0.672 109.480 108.800 0.013 0.000 2.132 78 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.234 78 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.234 78 G C 0.343 175.259 174.900 0.026 0.000 0.989 78 G CA 0.358 45.471 45.100 0.022 0.000 0.676 78 G HN 0.461 nan 8.290 nan 0.000 0.522 79 E N -0.516 119.690 120.200 0.010 0.000 2.452 79 E HA 0.401 4.751 4.350 -0.000 0.000 0.197 79 E C 1.168 177.775 176.600 0.012 0.000 1.022 79 E CA 0.859 57.263 56.400 0.008 0.000 0.890 79 E CB 0.483 30.164 29.700 -0.033 0.000 0.918 79 E HN 0.917 nan 8.360 nan 0.000 0.496 80 I N -2.804 117.767 120.570 0.002 0.000 2.918 80 I HA 0.469 4.638 4.170 -0.000 0.000 0.301 80 I C -1.687 174.478 176.117 0.081 0.000 1.312 80 I CA -1.268 60.032 61.300 0.000 0.000 1.007 80 I CB 2.219 40.062 38.000 -0.262 0.000 1.281 80 I HN -0.334 nan 8.210 nan 0.000 0.440 81 K N 3.979 124.475 120.400 0.162 0.000 2.378 81 K HA 0.506 4.826 4.320 -0.000 0.000 0.252 81 K C 0.068 176.760 176.600 0.153 0.000 0.931 81 K CA -0.840 55.530 56.287 0.138 0.000 0.794 81 K CB 3.045 35.625 32.500 0.133 0.000 1.181 81 K HN 0.647 nan 8.250 nan 0.000 0.425 82 L N 1.124 122.410 121.223 0.105 0.000 2.353 82 L HA -0.170 4.170 4.340 -0.000 0.000 0.220 82 L C 1.924 178.833 176.870 0.065 0.000 1.133 82 L CA 1.282 56.162 54.840 0.067 0.000 0.798 82 L CB -0.317 41.731 42.059 -0.017 0.000 0.922 82 L HN 0.698 nan 8.230 nan 0.000 0.445 83 S N -2.988 112.762 115.700 0.084 0.000 2.501 83 S HA 0.013 4.483 4.470 -0.000 0.000 0.220 83 S C 0.608 175.279 174.600 0.118 0.000 0.997 83 S CA -0.357 57.890 58.200 0.079 0.000 0.919 83 S CB -0.226 63.015 63.200 0.067 0.000 0.778 83 S HN 0.205 nan 8.310 nan 0.000 0.523 84 D N 4.617 125.115 120.400 0.163 0.000 2.458 84 D HA 0.233 4.873 4.640 -0.000 0.000 0.243 84 D C -2.227 174.192 176.300 0.198 0.000 1.146 84 D CA -1.297 52.813 54.000 0.183 0.000 0.877 84 D CB 0.727 41.717 40.800 0.316 0.000 1.176 84 D HN 0.228 nan 8.370 nan 0.000 0.461 85 P HA 0.039 nan 4.420 nan 0.000 0.274 85 P C 0.481 177.879 177.300 0.163 0.000 1.231 85 P CA -0.294 62.902 63.100 0.161 0.000 0.790 85 P CB 0.755 32.523 31.700 0.113 0.000 0.951 86 T N 0.329 115.022 114.554 0.232 0.000 2.881 86 T HA -0.077 4.273 4.350 -0.000 0.000 0.270 86 T C 1.460 176.231 174.700 0.118 0.000 1.068 86 T CA 1.767 64.000 62.100 0.220 0.000 1.131 86 T CB -0.784 68.228 68.868 0.238 0.000 0.871 86 T HN 0.500 nan 8.240 nan 0.000 0.479 87 T N 1.238 115.826 114.554 0.058 0.000 3.160 87 T HA 0.072 4.422 4.350 -0.000 0.000 0.257 87 T C 1.734 176.403 174.700 -0.052 0.000 1.147 87 T CA 0.536 62.633 62.100 -0.005 0.000 1.064 87 T CB 0.036 68.901 68.868 -0.005 0.000 0.949 87 T HN 0.415 nan 8.240 nan 0.000 0.526 88 K N 0.528 120.824 120.400 -0.173 0.000 2.116 88 K HA -0.022 4.298 4.320 -0.000 0.000 0.203 88 K C 0.683 177.012 176.600 -0.451 0.000 1.052 88 K CA 1.025 57.072 56.287 -0.400 0.000 0.952 88 K CB 0.054 32.125 32.500 -0.714 0.000 0.729 88 K HN 0.375 nan 8.250 nan 0.000 0.446 89 Y N -2.067 118.270 120.300 0.062 0.000 2.485 89 Y HA 0.173 4.722 4.550 -0.000 0.000 0.260 89 Y C -0.126 175.821 175.900 0.079 0.000 1.173 89 Y CA -0.648 57.471 58.100 0.031 0.000 1.252 89 Y CB 0.477 38.924 38.460 -0.021 0.000 1.123 89 Y HN 0.135 nan 8.280 nan 0.000 0.524 90 W N 1.788 123.068 121.300 -0.034 0.000 1.504 90 W HA 0.389 5.048 4.660 -0.000 0.000 0.313 90 W C -2.536 173.926 176.519 -0.096 0.000 0.936 90 W CA -3.436 53.862 57.345 -0.078 0.000 1.471 90 W CB 0.756 30.126 29.460 -0.150 0.000 1.627 90 W HN -0.075 nan 8.180 nan 0.000 0.408 91 P HA -0.267 nan 4.420 nan 0.000 0.218 91 P C 1.265 178.534 177.300 -0.051 0.000 1.150 91 P CA 2.510 65.633 63.100 0.038 0.000 0.841 91 P CB 0.386 32.117 31.700 0.052 0.000 0.784 92 E N -0.984 119.174 120.200 -0.070 0.000 2.110 92 E HA -0.132 4.218 4.350 -0.000 0.000 0.193 92 E C 0.680 176.975 176.600 -0.508 0.000 0.988 92 E CA 0.264 56.516 56.400 -0.246 0.000 0.804 92 E CB -0.548 29.047 29.700 -0.175 0.000 0.745 92 E HN 0.126 nan 8.360 nan 0.000 0.458 93 L N 2.202 122.915 121.223 -0.850 0.000 2.505 93 L HA -0.019 4.320 4.340 -0.000 0.000 0.275 93 L C 0.596 177.230 176.870 -0.393 0.000 1.264 93 L CA 0.879 55.201 54.840 -0.862 0.000 1.148 93 L CB -0.120 41.238 42.059 -1.169 0.000 1.377 93 L HN -0.084 nan 8.230 nan 0.000 0.442 94 T N 1.928 116.337 114.554 -0.242 0.000 3.044 94 T HA 0.216 4.566 4.350 -0.000 0.000 0.255 94 T C 1.023 175.738 174.700 0.024 0.000 1.073 94 T CA 0.428 62.479 62.100 -0.082 0.000 1.125 94 T CB 0.001 68.826 68.868 -0.072 0.000 0.908 94 T HN 0.673 nan 8.240 nan 0.000 0.480 95 A N 2.823 125.689 122.820 0.076 0.000 2.603 95 A HA 0.030 4.349 4.320 -0.000 0.000 0.235 95 A C 1.676 179.382 177.584 0.203 0.000 1.035 95 A CA 0.260 52.399 52.037 0.170 0.000 0.755 95 A CB 0.153 19.318 19.000 0.276 0.000 0.954 95 A HN 0.626 nan 8.150 nan 0.000 0.511 96 K N 2.025 122.484 120.400 0.098 0.000 2.113 96 K HA -0.273 4.047 4.320 -0.000 0.000 0.208 96 K C 1.549 178.173 176.600 0.041 0.000 1.047 96 K CA 1.702 58.025 56.287 0.061 0.000 0.928 96 K CB -0.214 32.294 32.500 0.014 0.000 0.716 96 K HN 0.857 nan 8.250 nan 0.000 0.446 97 Q N 0.242 120.032 119.800 -0.018 0.000 2.364 97 Q HA -0.166 4.174 4.340 -0.000 0.000 0.209 97 Q C 0.953 176.842 176.000 -0.185 0.000 0.977 97 Q CA 1.292 56.996 55.803 -0.163 0.000 0.885 97 Q CB -0.382 28.155 28.738 -0.335 0.000 0.941 97 Q HN 0.612 nan 8.270 nan 0.000 0.464 98 W N 1.462 122.804 121.300 0.069 0.000 3.003 98 W HA 0.209 4.868 4.660 -0.000 0.000 0.257 98 W C 1.951 178.514 176.519 0.073 0.000 1.308 98 W CA -0.258 57.145 57.345 0.098 0.000 1.529 98 W CB -0.090 29.409 29.460 0.065 0.000 1.115 98 W HN 0.198 nan 8.180 nan 0.000 0.659 99 N N 0.363 119.185 118.700 0.204 0.000 2.073 99 N HA -0.178 4.562 4.740 -0.000 0.000 0.199 99 N C 1.633 177.233 175.510 0.150 0.000 1.023 99 N CA 2.043 55.182 53.050 0.149 0.000 0.880 99 N CB -0.605 37.934 38.487 0.088 0.000 1.052 99 N HN 0.240 nan 8.380 nan 0.000 0.449 100 G N -0.262 108.613 108.800 0.125 0.000 3.434 100 G HA2 0.283 4.243 3.960 -0.000 0.000 0.258 100 G HA3 0.283 4.243 3.960 -0.000 0.000 0.258 100 G C 0.383 175.401 174.900 0.196 0.000 1.128 100 G CA -0.369 44.818 45.100 0.146 0.000 0.792 100 G HN 0.160 nan 8.290 nan 0.000 0.539 101 I N 3.332 124.041 120.570 0.232 0.000 2.294 101 I HA 0.160 4.330 4.170 -0.000 0.000 0.295 101 I C 1.014 177.414 176.117 0.471 0.000 1.098 101 I CA -0.327 61.161 61.300 0.313 0.000 1.277 101 I CB 0.550 38.715 38.000 0.275 0.000 1.434 101 I HN 0.072 nan 8.210 nan 0.000 0.498 102 T N 2.836 117.765 114.554 0.625 0.000 2.824 102 T HA 0.379 4.729 4.350 -0.000 0.000 0.277 102 T C 1.299 176.168 174.700 0.282 0.000 0.975 102 T CA -0.804 61.506 62.100 0.350 0.000 0.966 102 T CB 1.388 70.370 68.868 0.190 0.000 1.054 102 T HN 0.414 nan 8.240 nan 0.000 0.533 103 L N 0.216 121.583 121.223 0.240 0.000 2.191 103 L HA -0.018 4.322 4.340 -0.000 0.000 0.212 103 L C 2.492 179.397 176.870 0.058 0.000 1.103 103 L CA 0.781 55.772 54.840 0.252 0.000 0.769 103 L CB -0.774 41.479 42.059 0.322 0.000 0.908 103 L HN 0.604 nan 8.230 nan 0.000 0.438 104 L N -0.701 120.492 121.223 -0.049 0.000 1.994 104 L HA -0.231 4.108 4.340 -0.000 0.000 0.208 104 L C 2.719 179.526 176.870 -0.106 0.000 1.071 104 L CA 1.869 56.596 54.840 -0.189 0.000 0.745 104 L CB -0.778 41.154 42.059 -0.211 0.000 0.892 104 L HN 0.217 nan 8.230 nan 0.000 0.431 105 H N -0.083 119.066 119.070 0.132 0.000 2.289 105 H HA -0.188 4.368 4.556 -0.000 0.000 0.296 105 H C 2.392 177.738 175.328 0.031 0.000 1.091 105 H CA 2.254 58.372 56.048 0.117 0.000 1.274 105 H CB -0.636 29.213 29.762 0.147 0.000 1.364 105 H HN 0.371 nan 8.280 nan 0.000 0.490 106 L N 0.159 121.490 121.223 0.179 0.000 1.989 106 L HA -0.164 4.175 4.340 -0.000 0.000 0.211 106 L C 2.895 179.731 176.870 -0.057 0.000 1.071 106 L CA 1.160 56.074 54.840 0.122 0.000 0.749 106 L CB -0.625 41.563 42.059 0.214 0.000 0.890 106 L HN 0.221 nan 8.230 nan 0.000 0.431 107 A N -0.466 122.175 122.820 -0.297 0.000 2.070 107 A HA -0.167 4.152 4.320 -0.000 0.000 0.220 107 A C 2.059 179.257 177.584 -0.644 0.000 1.159 107 A CA 2.041 53.644 52.037 -0.723 0.000 0.656 107 A CB -0.726 17.342 19.000 -1.554 0.000 0.800 107 A HN 0.565 nan 8.150 nan 0.000 0.453 108 T N -6.801 107.486 114.554 -0.445 0.000 3.085 108 T HA 0.323 4.673 4.350 -0.000 0.000 0.264 108 T C 0.392 174.871 174.700 -0.369 0.000 1.019 108 T CA 0.342 62.180 62.100 -0.437 0.000 0.910 108 T CB -0.698 68.181 68.868 0.018 0.000 1.059 108 T HN 0.701 nan 8.240 nan 0.000 0.542 109 Y N 0.743 121.036 120.300 -0.012 0.000 4.729 109 Y HA -0.285 4.265 4.550 -0.000 0.000 0.239 109 Y C 1.259 177.123 175.900 -0.060 0.000 1.043 109 Y CA 0.552 58.645 58.100 -0.011 0.000 2.045 109 Y CB -2.786 35.670 38.460 -0.008 0.000 1.599 109 Y HN 0.584 nan 8.280 nan 0.000 0.655 110 T N -3.720 110.838 114.554 0.007 0.000 3.215 110 T HA 0.656 5.006 4.350 -0.000 0.000 0.271 110 T C 1.358 176.081 174.700 0.039 0.000 1.012 110 T CA 0.195 62.234 62.100 -0.102 0.000 0.899 110 T CB 0.783 69.342 68.868 -0.514 0.000 1.089 110 T HN 0.450 nan 8.240 nan 0.000 0.552 111 A N 1.418 124.297 122.820 0.098 0.000 2.067 111 A HA 0.547 4.867 4.320 -0.000 0.000 0.219 111 A C 1.891 179.539 177.584 0.107 0.000 1.158 111 A CA 0.722 52.791 52.037 0.053 0.000 0.661 111 A CB -0.802 18.207 19.000 0.015 0.000 0.801 111 A HN 1.483 nan 8.150 nan 0.000 0.452 112 G N -3.408 105.531 108.800 0.231 0.000 2.245 112 G HA2 0.420 4.380 3.960 -0.000 0.000 0.116 112 G HA3 0.420 4.380 3.960 -0.000 0.000 0.116 112 G C 0.969 176.207 174.900 0.564 0.000 1.054 112 G CA 0.426 45.767 45.100 0.402 0.000 0.728 112 G HN 1.938 nan 8.290 nan 0.000 0.483 113 G N -0.981 108.170 108.800 0.585 0.000 2.175 113 G HA2 -0.098 3.862 3.960 -0.000 0.000 0.182 113 G HA3 -0.098 3.862 3.960 -0.000 0.000 0.182 113 G C 0.516 175.682 174.900 0.444 0.000 1.003 113 G CA -0.064 45.321 45.100 0.474 0.000 0.666 113 G HN 1.207 nan 8.290 nan 0.000 0.506 114 L N 2.744 124.094 121.223 0.212 0.000 2.559 114 L HA 0.213 4.553 4.340 -0.000 0.000 0.282 114 L C -0.836 176.111 176.870 0.130 0.000 1.232 114 L CA -1.047 53.728 54.840 -0.108 0.000 0.885 114 L CB 0.271 42.177 42.059 -0.256 0.000 1.131 114 L HN 0.096 nan 8.230 nan 0.000 0.498 115 P HA -0.090 nan 4.420 nan 0.000 0.269 115 P C 0.479 177.874 177.300 0.160 0.000 1.209 115 P CA -0.382 62.838 63.100 0.200 0.000 0.776 115 P CB 0.964 32.821 31.700 0.262 0.000 0.876 116 L N 3.177 124.470 121.223 0.117 0.000 2.131 116 L HA 0.004 4.344 4.340 -0.000 0.000 0.210 116 L C 0.509 177.434 176.870 0.090 0.000 1.092 116 L CA 1.730 56.618 54.840 0.080 0.000 0.759 116 L CB -0.502 41.584 42.059 0.045 0.000 0.903 116 L HN 0.304 nan 8.230 nan 0.000 0.435 117 L N -0.694 120.580 121.223 0.086 0.000 2.381 117 L HA 0.398 4.738 4.340 -0.000 0.000 0.268 117 L C -0.638 176.252 176.870 0.032 0.000 0.997 117 L CA -0.990 53.888 54.840 0.063 0.000 0.818 117 L CB 2.151 44.219 42.059 0.016 0.000 1.310 117 L HN -0.448 nan 8.230 nan 0.000 0.416 118 V N 3.376 123.298 119.914 0.014 0.000 2.555 118 V HA 0.149 4.269 4.120 -0.000 0.000 0.286 118 V C -1.919 174.007 176.094 -0.280 0.000 1.044 118 V CA -1.162 61.021 62.300 -0.195 0.000 1.026 118 V CB 0.943 32.707 31.823 -0.099 0.000 0.981 118 V HN 0.605 nan 8.190 nan 0.000 0.480 119 P HA 0.020 nan 4.420 nan 0.000 0.264 119 P C 0.809 177.988 177.300 -0.202 0.000 1.193 119 P CA 0.051 62.968 63.100 -0.304 0.000 0.763 119 P CB 0.408 31.895 31.700 -0.355 0.000 0.810 120 D N 2.239 122.576 120.400 -0.105 0.000 2.239 120 D HA -0.205 4.435 4.640 -0.000 0.000 0.202 120 D C 0.962 177.231 176.300 -0.052 0.000 0.993 120 D CA 1.428 55.395 54.000 -0.055 0.000 0.874 120 D CB 0.297 41.079 40.800 -0.029 0.000 0.922 120 D HN 0.432 nan 8.370 nan 0.000 0.464 121 E N -0.359 119.799 120.200 -0.069 0.000 2.274 121 E HA -0.013 4.337 4.350 -0.000 0.000 0.194 121 E C 0.536 177.107 176.600 -0.048 0.000 0.996 121 E CA -0.093 56.279 56.400 -0.047 0.000 0.840 121 E CB 0.227 29.902 29.700 -0.041 0.000 0.772 121 E HN 0.032 nan 8.360 nan 0.000 0.491 122 V N 2.580 122.439 119.914 -0.090 0.000 2.458 122 V HA -0.063 4.057 4.120 -0.000 0.000 0.287 122 V C 0.943 177.021 176.094 -0.026 0.000 1.009 122 V CA 0.588 62.846 62.300 -0.070 0.000 1.091 122 V CB 0.519 32.249 31.823 -0.155 0.000 0.960 122 V HN 0.182 nan 8.190 nan 0.000 0.476 123 K N 2.795 123.197 120.400 0.003 0.000 2.469 123 K HA 0.209 4.529 4.320 -0.000 0.000 0.228 123 K C 1.227 177.842 176.600 0.026 0.000 1.266 123 K CA 0.605 56.900 56.287 0.013 0.000 0.775 123 K CB -0.526 31.982 32.500 0.013 0.000 1.582 123 K HN 0.656 nan 8.250 nan 0.000 0.415 124 S N 1.139 116.860 115.700 0.034 0.000 2.611 124 S HA 0.023 4.492 4.470 -0.000 0.000 0.252 124 S C 1.360 175.997 174.600 0.062 0.000 1.369 124 S CA 0.169 58.394 58.200 0.042 0.000 0.975 124 S CB 0.591 63.819 63.200 0.046 0.000 0.937 124 S HN 0.197 nan 8.310 nan 0.000 0.584 125 S N 0.490 116.229 115.700 0.065 0.000 2.406 125 S HA -0.045 4.424 4.470 -0.000 0.000 0.228 125 S C 2.188 176.878 174.600 0.149 0.000 1.020 125 S CA 0.997 59.251 58.200 0.090 0.000 0.965 125 S CB -0.688 62.554 63.200 0.070 0.000 0.798 125 S HN 0.674 nan 8.310 nan 0.000 0.488 126 S N 1.733 117.503 115.700 0.117 0.000 2.353 126 S HA -0.152 4.318 4.470 -0.000 0.000 0.222 126 S C 1.566 176.247 174.600 0.135 0.000 1.035 126 S CA 1.451 59.723 58.200 0.120 0.000 1.025 126 S CB -0.517 62.731 63.200 0.081 0.000 0.902 126 S HN 0.472 nan 8.310 nan 0.000 0.440 127 D N 0.957 121.425 120.400 0.113 0.000 2.123 127 D HA -0.085 4.555 4.640 -0.000 0.000 0.196 127 D C 1.831 178.237 176.300 0.176 0.000 0.992 127 D CA 0.599 54.665 54.000 0.111 0.000 0.833 127 D CB -0.461 40.377 40.800 0.063 0.000 0.954 127 D HN 0.193 nan 8.370 nan 0.000 0.455 128 L N 0.510 121.864 121.223 0.219 0.000 2.027 128 L HA -0.073 4.266 4.340 -0.000 0.000 0.206 128 L C 2.150 179.312 176.870 0.487 0.000 1.074 128 L CA 1.201 56.253 54.840 0.353 0.000 0.745 128 L CB -0.953 41.325 42.059 0.365 0.000 0.898 128 L HN 0.038 nan 8.230 nan 0.000 0.433 129 L N -0.451 121.047 121.223 0.458 0.000 2.079 129 L HA -0.215 4.125 4.340 -0.000 0.000 0.210 129 L C 2.653 179.591 176.870 0.113 0.000 1.081 129 L CA 1.719 56.718 54.840 0.264 0.000 0.752 129 L CB -0.593 41.591 42.059 0.209 0.000 0.896 129 L HN 0.239 nan 8.230 nan 0.000 0.433 130 R N -1.520 119.072 120.500 0.153 0.000 2.066 130 R HA -0.175 4.165 4.340 -0.000 0.000 0.232 130 R C 2.268 178.673 176.300 0.175 0.000 1.131 130 R CA 1.639 57.816 56.100 0.128 0.000 0.955 130 R CB -0.836 29.537 30.300 0.121 0.000 0.851 130 R HN 0.414 nan 8.270 nan 0.000 0.432 131 F N 0.979 120.952 119.950 0.039 0.000 2.091 131 F HA -0.277 4.250 4.527 -0.000 0.000 0.299 131 F C 1.745 177.593 175.800 0.081 0.000 1.103 131 F CA 1.415 59.410 58.000 -0.009 0.000 1.228 131 F CB -0.586 38.317 39.000 -0.162 0.000 0.984 131 F HN -0.046 nan 8.300 nan 0.000 0.477 132 Y N 0.289 120.526 120.300 -0.104 0.000 2.263 132 Y HA -0.113 4.437 4.550 -0.000 0.000 0.292 132 Y C 2.618 178.640 175.900 0.202 0.000 1.130 132 Y CA 1.392 59.446 58.100 -0.076 0.000 1.179 132 Y CB -0.955 37.418 38.460 -0.145 0.000 0.998 132 Y HN 0.132 nan 8.280 nan 0.000 0.532 133 Q N -0.136 119.767 119.800 0.171 0.000 2.297 133 Q HA -0.097 4.243 4.340 -0.000 0.000 0.204 133 Q C 1.122 177.243 176.000 0.202 0.000 0.962 133 Q CA 1.052 56.950 55.803 0.158 0.000 0.879 133 Q CB -0.336 28.405 28.738 0.005 0.000 0.947 133 Q HN 0.645 nan 8.270 nan 0.000 0.462 134 N N -1.056 117.749 118.700 0.175 0.000 2.325 134 N HA -0.023 4.717 4.740 -0.000 0.000 0.182 134 N C -0.118 175.464 175.510 0.120 0.000 1.088 134 N CA -0.400 52.726 53.050 0.127 0.000 0.879 134 N CB 0.285 38.842 38.487 0.117 0.000 0.983 134 N HN 0.141 nan 8.380 nan 0.000 0.471 135 W N 2.790 124.071 121.300 -0.032 0.000 2.223 135 W HA 0.048 4.707 4.660 -0.000 0.000 0.334 135 W C -0.574 175.877 176.519 -0.113 0.000 1.334 135 W CA 0.143 57.431 57.345 -0.095 0.000 1.246 135 W CB 0.560 29.914 29.460 -0.177 0.000 1.184 135 W HN -0.066 nan 8.180 nan 0.000 0.563 136 Q N 7.156 126.351 119.800 -1.008 0.000 2.333 136 Q HA 0.301 4.641 4.340 -0.000 0.000 0.268 136 Q C -2.126 172.990 176.000 -1.474 0.000 1.007 136 Q CA -2.154 53.008 55.803 -1.068 0.000 0.810 136 Q CB 1.253 29.675 28.738 -0.527 0.000 1.264 136 Q HN 0.343 nan 8.270 nan 0.000 0.452 137 P HA -0.016 nan 4.420 nan 0.000 0.262 137 P C -0.067 176.844 177.300 -0.649 0.000 1.182 137 P CA 0.304 62.756 63.100 -1.080 0.000 0.761 137 P CB 0.743 31.998 31.700 -0.741 0.000 0.795 138 A N 2.954 125.415 122.820 -0.599 0.000 2.081 138 A HA 0.122 4.442 4.320 -0.000 0.000 0.214 138 A C 0.164 177.079 177.584 -1.116 0.000 1.158 138 A CA 0.747 52.184 52.037 -1.000 0.000 0.724 138 A CB -0.093 17.940 19.000 -1.611 0.000 0.826 138 A HN 0.542 nan 8.150 nan 0.000 0.463 139 W N -3.013 118.245 121.300 -0.070 0.000 2.988 139 W HA 0.622 5.282 4.660 -0.000 0.000 0.355 139 W C -0.146 176.324 176.519 -0.080 0.000 1.233 139 W CA -1.111 56.195 57.345 -0.064 0.000 1.176 139 W CB 0.863 30.300 29.460 -0.039 0.000 1.477 139 W HN 0.091 nan 8.180 nan 0.000 0.582 140 A N 3.005 125.932 122.820 0.178 0.000 2.351 140 A HA 0.591 4.911 4.320 -0.000 0.000 0.257 140 A C -2.100 175.495 177.584 0.018 0.000 1.087 140 A CA -1.026 51.044 52.037 0.054 0.000 0.798 140 A CB -0.567 18.460 19.000 0.045 0.000 1.033 140 A HN 0.135 nan 8.150 nan 0.000 0.488 141 P HA 0.222 nan 4.420 nan 0.000 0.268 141 P C 0.667 177.867 177.300 -0.167 0.000 1.205 141 P CA 1.448 64.385 63.100 -0.272 0.000 0.771 141 P CB 0.741 32.137 31.700 -0.507 0.000 0.858 142 G N 2.251 110.977 108.800 -0.123 0.000 2.147 142 G HA2 -0.247 3.712 3.960 -0.000 0.000 0.244 142 G HA3 -0.247 3.712 3.960 -0.000 0.000 0.244 142 G C 0.561 175.437 174.900 -0.040 0.000 1.005 142 G CA 0.618 45.795 45.100 0.129 0.000 0.713 142 G HN 0.740 nan 8.290 nan 0.000 0.515 143 T N -4.916 109.566 114.554 -0.121 0.000 2.964 143 T HA 0.461 4.811 4.350 -0.000 0.000 0.250 143 T C 0.543 175.093 174.700 -0.250 0.000 0.982 143 T CA 0.754 62.786 62.100 -0.113 0.000 0.959 143 T CB 0.711 69.558 68.868 -0.036 0.000 1.141 143 T HN 0.300 nan 8.240 nan 0.000 0.494 144 Q N 0.754 120.367 119.800 -0.313 0.000 2.389 144 Q HA 0.502 4.842 4.340 -0.000 0.000 0.277 144 Q C -1.408 174.390 176.000 -0.335 0.000 1.082 144 Q CA -0.577 54.955 55.803 -0.451 0.000 0.810 144 Q CB 3.195 31.377 28.738 -0.926 0.000 1.374 144 Q HN 0.336 nan 8.270 nan 0.000 0.422 145 R N 1.759 122.083 120.500 -0.293 0.000 2.338 145 R HA 0.611 4.950 4.340 -0.000 0.000 0.317 145 R C -1.324 174.922 176.300 -0.090 0.000 0.968 145 R CA -0.595 55.413 56.100 -0.153 0.000 0.849 145 R CB 0.619 30.856 30.300 -0.105 0.000 1.128 145 R HN 0.484 nan 8.270 nan 0.000 0.448 146 L N 4.004 125.238 121.223 0.018 0.000 2.518 146 L HA 0.285 4.625 4.340 -0.000 0.000 0.262 146 L C -0.736 176.099 176.870 -0.058 0.000 0.982 146 L CA -0.202 54.655 54.840 0.028 0.000 0.873 146 L CB 1.743 43.914 42.059 0.187 0.000 1.198 146 L HN 0.680 nan 8.230 nan 0.000 0.427 147 E N 3.493 123.526 120.200 -0.279 0.000 2.608 147 E HA 0.330 4.680 4.350 -0.000 0.000 0.259 147 E C -0.396 176.017 176.600 -0.311 0.000 0.951 147 E CA 0.806 56.805 56.400 -0.668 0.000 0.945 147 E CB 0.588 30.004 29.700 -0.474 0.000 0.916 147 E HN 0.661 nan 8.360 nan 0.000 0.477 148 A N 3.802 126.471 122.820 -0.252 0.000 2.512 148 A HA 0.206 4.526 4.320 -0.000 0.000 0.294 148 A C 0.141 177.849 177.584 0.206 0.000 1.054 148 A CA -0.797 51.278 52.037 0.063 0.000 0.756 148 A CB 1.018 20.102 19.000 0.140 0.000 1.293 148 A HN 0.529 nan 8.150 nan 0.000 0.395 149 N N 1.199 120.010 118.700 0.185 0.000 2.166 149 N HA -0.162 4.577 4.740 -0.000 0.000 0.186 149 N C 2.059 177.716 175.510 0.245 0.000 1.019 149 N CA 2.048 55.241 53.050 0.239 0.000 0.856 149 N CB -0.139 38.511 38.487 0.271 0.000 0.993 149 N HN 0.857 nan 8.380 nan 0.000 0.426 150 S N -1.111 114.742 115.700 0.255 0.000 2.474 150 S HA 0.010 4.480 4.470 -0.000 0.000 0.235 150 S C 2.021 176.824 174.600 0.338 0.000 0.997 150 S CA 1.098 59.501 58.200 0.339 0.000 0.949 150 S CB -0.114 63.314 63.200 0.380 0.000 0.766 150 S HN 0.236 nan 8.310 nan 0.000 0.517 151 S N 1.163 117.022 115.700 0.266 0.000 2.355 151 S HA 0.150 4.620 4.470 -0.000 0.000 0.216 151 S C 1.698 176.422 174.600 0.207 0.000 1.037 151 S CA 0.539 58.873 58.200 0.224 0.000 0.955 151 S CB -0.535 62.820 63.200 0.258 0.000 0.877 151 S HN 0.500 nan 8.310 nan 0.000 0.488 152 I N 1.904 122.617 120.570 0.239 0.000 2.315 152 I HA 0.087 4.257 4.170 -0.000 0.000 0.248 152 I C 2.132 178.363 176.117 0.190 0.000 1.117 152 I CA 1.671 63.088 61.300 0.195 0.000 1.404 152 I CB -0.847 37.277 38.000 0.207 0.000 1.071 152 I HN 0.384 nan 8.210 nan 0.000 0.419 153 G N 0.764 109.644 108.800 0.135 0.000 2.446 153 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.217 153 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.217 153 G C 1.596 176.458 174.900 -0.064 0.000 1.168 153 G CA 1.100 46.199 45.100 -0.002 0.000 0.771 153 G HN 0.439 nan 8.290 nan 0.000 0.551 154 L N -0.126 121.111 121.223 0.024 0.000 2.131 154 L HA 0.116 4.456 4.340 -0.000 0.000 0.210 154 L C 2.377 179.188 176.870 -0.098 0.000 1.092 154 L CA 1.465 56.249 54.840 -0.093 0.000 0.759 154 L CB -0.652 41.285 42.059 -0.202 0.000 0.903 154 L HN 0.260 nan 8.230 nan 0.000 0.435 155 F N 0.144 120.035 119.950 -0.098 0.000 2.113 155 F HA 0.037 4.563 4.527 -0.000 0.000 0.297 155 F C 2.173 177.911 175.800 -0.103 0.000 1.103 155 F CA 1.526 59.475 58.000 -0.084 0.000 1.248 155 F CB -1.060 37.905 39.000 -0.060 0.000 0.999 155 F HN 0.081 nan 8.300 nan 0.000 0.475 156 G N 0.228 108.821 108.800 -0.345 0.000 2.491 156 G HA2 -0.311 3.648 3.960 -0.000 0.000 0.218 156 G HA3 -0.311 3.648 3.960 -0.000 0.000 0.218 156 G C 1.860 176.523 174.900 -0.394 0.000 1.180 156 G CA 1.266 46.131 45.100 -0.392 0.000 0.774 156 G HN 0.666 nan 8.290 nan 0.000 0.562 157 A N 0.354 122.909 122.820 -0.442 0.000 1.908 157 A HA 0.059 4.379 4.320 -0.000 0.000 0.218 157 A C 2.467 179.856 177.584 -0.326 0.000 1.181 157 A CA 1.502 53.320 52.037 -0.365 0.000 0.627 157 A CB -0.372 18.398 19.000 -0.384 0.000 0.818 157 A HN 0.381 nan 8.150 nan 0.000 0.445 158 L N -1.165 119.842 121.223 -0.360 0.000 2.131 158 L HA -0.071 4.269 4.340 -0.000 0.000 0.206 158 L C 3.045 179.657 176.870 -0.431 0.000 1.087 158 L CA 0.738 55.386 54.840 -0.320 0.000 0.767 158 L CB -0.597 41.345 42.059 -0.195 0.000 0.917 158 L HN 0.413 nan 8.230 nan 0.000 0.441 159 A N 0.504 122.988 122.820 -0.561 0.000 1.948 159 A HA -0.183 4.137 4.320 -0.000 0.000 0.220 159 A C 2.196 179.550 177.584 -0.383 0.000 1.177 159 A CA 2.171 53.854 52.037 -0.591 0.000 0.636 159 A CB -0.822 17.705 19.000 -0.788 0.000 0.815 159 A HN 0.353 nan 8.150 nan 0.000 0.449 160 V N -3.956 115.800 119.914 -0.264 0.000 3.406 160 V HA 0.019 4.139 4.120 -0.000 0.000 0.263 160 V C 1.832 177.838 176.094 -0.146 0.000 1.172 160 V CA 1.131 63.328 62.300 -0.173 0.000 1.140 160 V CB -0.502 31.261 31.823 -0.100 0.000 0.784 160 V HN 0.193 nan 8.190 nan 0.000 0.467 161 K N 1.549 121.852 120.400 -0.162 0.000 2.034 161 K HA -0.115 4.205 4.320 -0.000 0.000 0.214 161 K C 0.320 176.887 176.600 -0.054 0.000 1.051 161 K CA 2.263 58.492 56.287 -0.098 0.000 0.931 161 K CB -2.150 30.314 32.500 -0.059 0.000 0.715 161 K HN 0.453 nan 8.250 nan 0.000 0.446 162 P HA -0.130 nan 4.420 nan 0.000 0.216 162 P C 1.364 178.646 177.300 -0.030 0.000 1.150 162 P CA 1.810 64.905 63.100 -0.009 0.000 0.843 162 P CB -0.122 31.576 31.700 -0.003 0.000 0.787 163 S N -1.686 113.977 115.700 -0.061 0.000 2.507 163 S HA 0.051 4.521 4.470 -0.000 0.000 0.235 163 S C 1.844 176.414 174.600 -0.050 0.000 0.988 163 S CA 0.903 59.068 58.200 -0.059 0.000 0.944 163 S CB -1.542 61.609 63.200 -0.082 0.000 0.762 163 S HN 0.320 nan 8.310 nan 0.000 0.526 164 G N 0.531 109.303 108.800 -0.047 0.000 2.189 164 G HA2 -0.256 3.703 3.960 -0.000 0.000 0.267 164 G HA3 -0.256 3.703 3.960 -0.000 0.000 0.267 164 G C -0.023 174.848 174.900 -0.049 0.000 0.975 164 G CA 0.601 45.677 45.100 -0.040 0.000 0.644 164 G HN 0.584 nan 8.290 nan 0.000 0.537 165 L N 1.392 122.577 121.223 -0.064 0.000 2.379 165 L HA 0.617 4.957 4.340 -0.000 0.000 0.269 165 L C 1.331 178.161 176.870 -0.068 0.000 1.084 165 L CA -0.309 54.488 54.840 -0.072 0.000 0.802 165 L CB 1.515 43.516 42.059 -0.097 0.000 1.175 165 L HN 0.352 nan 8.230 nan 0.000 0.448 166 S N 0.287 115.952 115.700 -0.058 0.000 2.592 166 S HA 0.117 4.587 4.470 -0.000 0.000 0.271 166 S C 0.886 175.469 174.600 -0.027 0.000 1.326 166 S CA -0.511 57.671 58.200 -0.031 0.000 1.024 166 S CB 0.654 63.842 63.200 -0.021 0.000 0.921 166 S HN 0.543 nan 8.310 nan 0.000 0.527 167 F N 1.751 121.613 119.950 -0.147 0.000 2.043 167 F HA -0.206 4.321 4.527 -0.000 0.000 0.297 167 F C 2.515 178.208 175.800 -0.178 0.000 1.118 167 F CA 2.493 60.389 58.000 -0.173 0.000 1.202 167 F CB -0.594 38.303 39.000 -0.173 0.000 0.965 167 F HN 0.948 nan 8.300 nan 0.000 0.482 168 E N -0.751 119.402 120.200 -0.078 0.000 2.160 168 E HA -0.263 4.087 4.350 -0.000 0.000 0.195 168 E C 2.172 178.628 176.600 -0.240 0.000 0.991 168 E CA 1.307 57.601 56.400 -0.177 0.000 0.810 168 E CB -0.132 29.563 29.700 -0.009 0.000 0.742 168 E HN 0.468 nan 8.360 nan 0.000 0.466 169 Q N -0.085 119.609 119.800 -0.177 0.000 2.049 169 Q HA -0.062 4.278 4.340 -0.000 0.000 0.198 169 Q C 2.179 178.033 176.000 -0.243 0.000 0.971 169 Q CA 1.318 57.022 55.803 -0.165 0.000 0.833 169 Q CB -0.385 28.292 28.738 -0.101 0.000 0.896 169 Q HN 0.381 nan 8.270 nan 0.000 0.434 170 A N 0.838 123.490 122.820 -0.281 0.000 1.883 170 A HA -0.246 4.074 4.320 -0.000 0.000 0.217 170 A C 2.155 179.477 177.584 -0.437 0.000 1.186 170 A CA 2.103 53.955 52.037 -0.310 0.000 0.624 170 A CB -0.575 18.240 19.000 -0.308 0.000 0.822 170 A HN 0.369 nan 8.150 nan 0.000 0.444 171 M N -0.307 118.896 119.600 -0.661 0.000 2.108 171 M HA -0.209 4.270 4.480 -0.000 0.000 0.261 171 M C 2.125 177.874 176.300 -0.919 0.000 1.066 171 M CA 2.077 56.838 55.300 -0.898 0.000 1.107 171 M CB -0.525 31.356 32.600 -1.199 0.000 1.356 171 M HN 0.541 nan 8.290 nan 0.000 0.406 172 Q N -1.378 118.059 119.800 -0.605 0.000 2.123 172 Q HA -0.120 4.220 4.340 -0.000 0.000 0.199 172 Q C 1.910 177.773 176.000 -0.229 0.000 0.966 172 Q CA 2.076 57.673 55.803 -0.344 0.000 0.845 172 Q CB -0.213 28.412 28.738 -0.189 0.000 0.907 172 Q HN 0.771 nan 8.270 nan 0.000 0.439 173 T N -2.431 111.991 114.554 -0.220 0.000 3.035 173 T HA 0.076 4.426 4.350 -0.000 0.000 0.259 173 T C 1.703 176.323 174.700 -0.132 0.000 1.078 173 T CA 0.331 62.344 62.100 -0.145 0.000 1.132 173 T CB 0.113 68.908 68.868 -0.121 0.000 0.900 173 T HN 0.032 nan 8.240 nan 0.000 0.480 174 R N -0.300 120.093 120.500 -0.179 0.000 2.282 174 R HA 0.445 4.785 4.340 -0.000 0.000 0.195 174 R C 1.540 177.780 176.300 -0.100 0.000 0.909 174 R CA 0.189 56.210 56.100 -0.131 0.000 1.039 174 R CB 0.500 30.712 30.300 -0.146 0.000 1.015 174 R HN 0.280 nan 8.270 nan 0.000 0.513 175 V N -1.437 118.384 119.914 -0.155 0.000 3.278 175 V HA 0.044 4.163 4.120 -0.000 0.000 0.215 175 V C 1.217 177.374 176.094 0.105 0.000 1.287 175 V CA 0.357 62.637 62.300 -0.033 0.000 1.302 175 V CB -0.334 31.411 31.823 -0.129 0.000 1.228 175 V HN -0.014 nan 8.190 nan 0.000 0.523 176 F N 1.631 121.504 119.950 -0.128 0.000 2.069 176 F HA -0.197 4.330 4.527 -0.000 0.000 0.298 176 F C 2.594 178.303 175.800 -0.153 0.000 1.113 176 F CA 1.781 59.666 58.000 -0.190 0.000 1.214 176 F CB -1.181 37.600 39.000 -0.365 0.000 0.978 176 F HN 0.231 nan 8.300 nan 0.000 0.474 177 Q N -0.351 119.473 119.800 0.041 0.000 2.016 177 Q HA -0.128 4.212 4.340 -0.000 0.000 0.200 177 Q C -0.320 175.679 176.000 -0.001 0.000 0.978 177 Q CA 1.618 57.409 55.803 -0.020 0.000 0.833 177 Q CB -1.528 27.180 28.738 -0.051 0.000 0.895 177 Q HN 0.261 nan 8.270 nan 0.000 0.427 178 P HA -0.164 nan 4.420 nan 0.000 0.217 178 P C 0.664 177.987 177.300 0.038 0.000 1.148 178 P CA 1.231 64.341 63.100 0.016 0.000 0.828 178 P CB 0.037 31.748 31.700 0.017 0.000 0.783 179 L N -2.401 118.869 121.223 0.079 0.000 2.592 179 L HA 0.155 4.495 4.340 -0.000 0.000 0.227 179 L C 0.424 177.336 176.870 0.070 0.000 1.127 179 L CA 0.145 55.048 54.840 0.106 0.000 0.884 179 L CB -0.498 41.693 42.059 0.221 0.000 1.065 179 L HN -0.101 nan 8.230 nan 0.000 0.457 180 K N 0.022 120.435 120.400 0.022 0.000 3.339 180 K HA -0.133 4.187 4.320 -0.000 0.000 0.299 180 K C -0.236 176.322 176.600 -0.069 0.000 1.270 180 K CA 0.539 56.809 56.287 -0.028 0.000 0.875 180 K CB -1.888 30.605 32.500 -0.010 0.000 1.298 180 K HN 0.214 nan 8.250 nan 0.000 0.485 181 L N 1.168 122.342 121.223 -0.083 0.000 2.395 181 L HA 0.152 4.492 4.340 -0.000 0.000 0.268 181 L C 0.797 177.436 176.870 -0.385 0.000 1.223 181 L CA -0.345 54.372 54.840 -0.205 0.000 1.093 181 L CB 0.120 42.018 42.059 -0.267 0.000 1.349 181 L HN 0.137 nan 8.230 nan 0.000 0.427 182 N N 0.901 119.374 118.700 -0.378 0.000 2.449 182 N HA -0.020 4.720 4.740 -0.000 0.000 0.191 182 N C 0.375 175.423 175.510 -0.770 0.000 1.161 182 N CA 0.505 53.226 53.050 -0.548 0.000 0.863 182 N CB 0.162 38.332 38.487 -0.528 0.000 0.980 182 N HN 0.517 nan 8.380 nan 0.000 0.458 183 H N -1.026 117.907 119.070 -0.228 0.000 3.074 183 H HA 0.251 4.807 4.556 -0.000 0.000 0.227 183 H C -0.474 174.704 175.328 -0.251 0.000 1.365 183 H CA -0.178 55.815 56.048 -0.091 0.000 1.078 183 H CB 0.232 29.979 29.762 -0.026 0.000 2.347 183 H HN -0.150 nan 8.280 nan 0.000 0.567 184 T N 0.727 114.897 114.554 -0.639 0.000 2.841 184 T HA 0.402 4.752 4.350 -0.000 0.000 0.285 184 T C -0.781 173.166 174.700 -1.254 0.000 0.991 184 T CA -0.463 61.093 62.100 -0.907 0.000 0.966 184 T CB 1.585 69.654 68.868 -1.332 0.000 0.962 184 T HN 0.210 nan 8.240 nan 0.000 0.438 185 W N 1.582 122.574 121.300 -0.513 0.000 3.083 185 W HA 0.582 5.242 4.660 -0.000 0.000 0.333 185 W C 0.565 176.966 176.519 -0.197 0.000 1.217 185 W CA -0.827 56.348 57.345 -0.284 0.000 1.170 185 W CB 1.126 30.438 29.460 -0.247 0.000 1.437 185 W HN 0.481 nan 8.180 nan 0.000 0.557 186 I N 0.964 121.651 120.570 0.196 0.000 2.556 186 I HA 0.033 4.202 4.170 -0.000 0.000 0.251 186 I C -0.063 176.097 176.117 0.072 0.000 1.105 186 I CA 0.586 61.944 61.300 0.097 0.000 1.436 186 I CB -0.043 38.023 38.000 0.110 0.000 1.139 186 I HN 0.327 nan 8.210 nan 0.000 0.438 187 N N 0.772 119.554 118.700 0.136 0.000 2.479 187 N HA 0.252 4.992 4.740 -0.000 0.000 0.261 187 N C -0.717 174.749 175.510 -0.073 0.000 0.979 187 N CA -0.195 52.871 53.050 0.028 0.000 0.930 187 N CB 2.611 41.112 38.487 0.025 0.000 1.172 187 N HN -0.082 nan 8.380 nan 0.000 0.499 188 V N 4.009 123.796 119.914 -0.212 0.000 2.439 188 V HA 0.410 4.530 4.120 -0.000 0.000 0.271 188 V C -1.952 173.868 176.094 -0.457 0.000 1.040 188 V CA -1.327 60.698 62.300 -0.459 0.000 1.002 188 V CB 0.242 31.776 31.823 -0.482 0.000 1.000 188 V HN 0.569 nan 8.190 nan 0.000 0.477 189 P HA 0.356 nan 4.420 nan 0.000 0.274 189 P C -2.351 174.755 177.300 -0.324 0.000 1.237 189 P CA -1.571 61.226 63.100 -0.506 0.000 0.793 189 P CB 0.681 31.963 31.700 -0.697 0.000 0.977 190 P HA -0.309 nan 4.420 nan 0.000 0.221 190 P C 1.548 178.779 177.300 -0.116 0.000 1.160 190 P CA 2.933 65.959 63.100 -0.123 0.000 0.933 190 P CB -0.597 31.047 31.700 -0.095 0.000 0.793 191 A N -0.728 122.013 122.820 -0.132 0.000 2.032 191 A HA -0.236 4.084 4.320 -0.000 0.000 0.221 191 A C 2.047 179.575 177.584 -0.093 0.000 1.165 191 A CA 1.737 53.717 52.037 -0.095 0.000 0.645 191 A CB -0.846 18.106 19.000 -0.081 0.000 0.807 191 A HN 0.175 nan 8.150 nan 0.000 0.453 192 E N -0.969 119.136 120.200 -0.157 0.000 2.452 192 E HA -0.003 4.347 4.350 -0.000 0.000 0.197 192 E C 1.536 178.081 176.600 -0.092 0.000 1.022 192 E CA 0.204 56.525 56.400 -0.132 0.000 0.890 192 E CB -0.058 29.503 29.700 -0.232 0.000 0.918 192 E HN 0.770 nan 8.360 nan 0.000 0.496 193 E N 1.417 121.568 120.200 -0.082 0.000 2.187 193 E HA -0.234 4.115 4.350 -0.000 0.000 0.199 193 E C 1.808 178.412 176.600 0.007 0.000 1.004 193 E CA 1.665 58.058 56.400 -0.012 0.000 0.813 193 E CB 0.011 29.699 29.700 -0.019 0.000 0.736 193 E HN 0.215 nan 8.360 nan 0.000 0.468 194 K N -0.638 119.757 120.400 -0.008 0.000 2.432 194 K HA -0.015 4.304 4.320 -0.000 0.000 0.196 194 K C 1.010 177.614 176.600 0.008 0.000 1.038 194 K CA 1.329 57.618 56.287 0.005 0.000 0.986 194 K CB 0.106 32.607 32.500 0.002 0.000 0.782 194 K HN 0.053 nan 8.250 nan 0.000 0.485 195 N N -0.262 118.437 118.700 -0.001 0.000 2.368 195 N HA 0.002 4.742 4.740 -0.000 0.000 0.178 195 N C -0.554 174.969 175.510 0.022 0.000 1.076 195 N CA -0.407 52.638 53.050 -0.008 0.000 0.889 195 N CB 0.164 38.623 38.487 -0.046 0.000 1.040 195 N HN 0.162 nan 8.380 nan 0.000 0.463 196 Y N 2.082 122.290 120.300 -0.152 0.000 2.721 196 Y HA 0.103 4.653 4.550 -0.000 0.000 0.329 196 Y C 0.360 176.142 175.900 -0.197 0.000 1.211 196 Y CA -1.113 56.860 58.100 -0.211 0.000 1.512 196 Y CB 0.342 38.658 38.460 -0.240 0.000 1.249 196 Y HN 0.023 nan 8.280 nan 0.000 0.549 197 A N 6.243 129.142 122.820 0.132 0.000 2.264 197 A HA 0.322 4.642 4.320 -0.000 0.000 0.304 197 A C -1.397 176.243 177.584 0.094 0.000 1.100 197 A CA -0.604 51.462 52.037 0.049 0.000 0.839 197 A CB 0.457 19.434 19.000 -0.039 0.000 1.121 197 A HN 0.918 nan 8.150 nan 0.000 0.496 198 W N -0.193 121.174 121.300 0.113 0.000 2.359 198 W HA 0.520 5.180 4.660 -0.000 0.000 0.344 198 W C 0.796 177.041 176.519 -0.457 0.000 1.170 198 W CA 0.415 57.688 57.345 -0.120 0.000 1.296 198 W CB 1.307 30.494 29.460 -0.456 0.000 1.197 198 W HN 0.910 nan 8.180 nan 0.000 0.618 199 G N 0.283 108.868 108.800 -0.358 0.000 2.491 199 G HA2 0.618 4.578 3.960 -0.000 0.000 0.327 199 G HA3 0.618 4.578 3.960 -0.000 0.000 0.327 199 G C -2.317 172.116 174.900 -0.778 0.000 1.189 199 G CA -0.577 43.966 45.100 -0.928 0.000 0.956 199 G HN 0.415 nan 8.290 nan 0.000 0.491 200 Y N -0.398 119.817 120.300 -0.143 0.000 2.331 200 Y HA 0.516 5.066 4.550 -0.000 0.000 0.326 200 Y C 0.265 176.160 175.900 -0.009 0.000 1.020 200 Y CA -0.833 57.243 58.100 -0.040 0.000 1.136 200 Y CB 2.304 40.747 38.460 -0.029 0.000 1.157 200 Y HN 0.454 nan 8.280 nan 0.000 0.444 201 R N 3.228 123.795 120.500 0.113 0.000 2.473 201 R HA 0.269 4.609 4.340 -0.000 0.000 0.303 201 R C -0.860 175.486 176.300 0.077 0.000 1.002 201 R CA -0.380 55.772 56.100 0.087 0.000 0.884 201 R CB 0.794 31.131 30.300 0.063 0.000 1.173 201 R HN 0.756 nan 8.270 nan 0.000 0.464 202 E N 2.724 122.967 120.200 0.073 0.000 2.271 202 E HA -0.205 4.145 4.350 -0.000 0.000 0.223 202 E C 0.614 177.247 176.600 0.054 0.000 1.223 202 E CA 1.314 57.744 56.400 0.051 0.000 0.704 202 E CB -1.451 28.270 29.700 0.035 0.000 1.194 202 E HN 1.175 nan 8.360 nan 0.000 0.375 203 G N -0.575 108.272 108.800 0.079 0.000 2.205 203 G HA2 -0.381 3.579 3.960 -0.000 0.000 0.269 203 G HA3 -0.381 3.579 3.960 -0.000 0.000 0.269 203 G C 0.374 175.351 174.900 0.129 0.000 0.977 203 G CA 1.235 46.383 45.100 0.080 0.000 0.652 203 G HN 0.217 nan 8.290 nan 0.000 0.539 204 K N 0.837 121.300 120.400 0.105 0.000 2.156 204 K HA 0.708 5.028 4.320 -0.000 0.000 0.271 204 K C 0.689 177.288 176.600 -0.002 0.000 0.995 204 K CA 0.167 56.477 56.287 0.038 0.000 0.890 204 K CB 1.558 34.046 32.500 -0.019 0.000 1.073 204 K HN 0.486 nan 8.250 nan 0.000 0.454 205 A N 1.921 124.641 122.820 -0.167 0.000 2.425 205 A HA 0.448 4.768 4.320 -0.000 0.000 0.242 205 A C -0.002 177.419 177.584 -0.273 0.000 1.077 205 A CA -0.263 51.467 52.037 -0.511 0.000 0.781 205 A CB 0.179 18.651 19.000 -0.879 0.000 1.020 205 A HN 0.544 nan 8.150 nan 0.000 0.494 206 V N -0.598 119.310 119.914 -0.011 0.000 3.167 206 V HA 0.607 4.726 4.120 -0.000 0.000 0.293 206 V C -0.915 175.464 176.094 0.476 0.000 1.379 206 V CA -0.824 61.595 62.300 0.198 0.000 1.019 206 V CB 1.176 33.064 31.823 0.109 0.000 1.115 206 V HN 1.033 nan 8.190 nan 0.000 0.442 207 H N 0.419 119.632 119.070 0.239 0.000 2.679 207 H HA 0.638 5.194 4.556 -0.000 0.000 0.360 207 H C -0.592 174.843 175.328 0.178 0.000 1.105 207 H CA -0.885 55.258 56.048 0.158 0.000 1.196 207 H CB 2.432 32.150 29.762 -0.073 0.000 1.636 207 H HN 0.839 nan 8.280 nan 0.000 0.531 208 V N 3.158 123.240 119.914 0.280 0.000 2.814 208 V HA -0.072 4.048 4.120 -0.000 0.000 0.307 208 V C -0.099 176.116 176.094 0.203 0.000 1.089 208 V CA 0.569 62.999 62.300 0.216 0.000 1.212 208 V CB 0.678 32.627 31.823 0.210 0.000 0.912 208 V HN 0.755 nan 8.190 nan 0.000 0.497 209 S N 7.233 123.035 115.700 0.171 0.000 2.616 209 S HA 0.535 5.005 4.470 -0.000 0.000 0.277 209 S C -2.270 172.427 174.600 0.162 0.000 1.234 209 S CA -0.785 57.504 58.200 0.149 0.000 1.028 209 S CB 1.172 64.439 63.200 0.111 0.000 0.988 209 S HN 0.839 nan 8.310 nan 0.000 0.522 210 P HA 0.474 nan 4.420 nan 0.000 0.269 210 P C -0.047 177.319 177.300 0.111 0.000 1.217 210 P CA -0.062 63.099 63.100 0.101 0.000 0.783 210 P CB 0.299 32.038 31.700 0.065 0.000 0.898 211 G N -0.959 107.895 108.800 0.090 0.000 2.547 211 G HA2 0.521 4.481 3.960 -0.000 0.000 0.291 211 G HA3 0.521 4.481 3.960 -0.000 0.000 0.291 211 G C -1.494 173.426 174.900 0.034 0.000 1.471 211 G CA -0.285 44.873 45.100 0.095 0.000 0.798 211 G HN 0.515 nan 8.290 nan 0.000 0.504 212 A N 0.151 122.985 122.820 0.023 0.000 2.511 212 A HA 0.545 4.865 4.320 -0.000 0.000 0.242 212 A C 1.461 179.027 177.584 -0.030 0.000 1.069 212 A CA 0.590 52.625 52.037 -0.003 0.000 0.763 212 A CB -0.361 18.639 19.000 0.001 0.000 1.001 212 A HN 1.817 nan 8.150 nan 0.000 0.498 213 L N 0.518 121.690 121.223 -0.085 0.000 3.858 213 L HA -0.321 4.019 4.340 -0.000 0.000 0.425 213 L C 1.036 177.710 176.870 -0.325 0.000 1.177 213 L CA 0.646 55.384 54.840 -0.170 0.000 0.943 213 L CB -1.623 40.403 42.059 -0.054 0.000 1.861 213 L HN 1.019 nan 8.230 nan 0.000 0.985 214 D N -0.397 119.761 120.400 -0.404 0.000 2.123 214 D HA -0.086 4.554 4.640 -0.000 0.000 0.200 214 D C 1.972 177.875 176.300 -0.661 0.000 0.976 214 D CA 1.183 54.660 54.000 -0.872 0.000 0.831 214 D CB -0.099 40.366 40.800 -0.558 0.000 0.974 214 D HN 0.400 nan 8.370 nan 0.000 0.469 215 A N 1.203 123.812 122.820 -0.352 0.000 1.859 215 A HA -0.264 4.056 4.320 -0.000 0.000 0.217 215 A C 2.144 179.594 177.584 -0.223 0.000 1.198 215 A CA 2.204 54.137 52.037 -0.174 0.000 0.629 215 A CB -0.918 18.066 19.000 -0.026 0.000 0.830 215 A HN 0.208 nan 8.150 nan 0.000 0.446 216 E N -0.385 119.448 120.200 -0.612 0.000 2.204 216 E HA 0.028 4.378 4.350 -0.000 0.000 0.195 216 E C 1.788 178.261 176.600 -0.211 0.000 0.990 216 E CA 1.394 57.363 56.400 -0.719 0.000 0.821 216 E CB -0.246 28.902 29.700 -0.920 0.000 0.750 216 E HN 0.626 nan 8.360 nan 0.000 0.477 217 A N -0.777 121.920 122.820 -0.205 0.000 2.138 217 A HA 0.150 4.470 4.320 -0.000 0.000 0.203 217 A C 0.881 178.540 177.584 0.124 0.000 1.286 217 A CA 0.376 52.413 52.037 0.001 0.000 0.929 217 A CB 0.139 19.201 19.000 0.104 0.000 0.975 217 A HN 0.374 nan 8.150 nan 0.000 0.480 218 Y N -4.034 116.299 120.300 0.055 0.000 2.957 218 Y HA 0.465 5.014 4.550 -0.000 0.000 0.274 218 Y C 0.899 176.820 175.900 0.035 0.000 1.065 218 Y CA -0.464 57.671 58.100 0.058 0.000 1.273 218 Y CB -0.393 38.103 38.460 0.060 0.000 1.358 218 Y HN 0.008 nan 8.280 nan 0.000 0.585 219 G N 1.132 109.896 108.800 -0.059 0.000 3.448 219 G HA2 0.406 4.366 3.960 -0.000 0.000 0.261 219 G HA3 0.406 4.366 3.960 -0.000 0.000 0.261 219 G C -0.540 174.341 174.900 -0.031 0.000 1.173 219 G CA -0.019 45.065 45.100 -0.027 0.000 0.835 219 G HN 0.104 nan 8.290 nan 0.000 0.534 220 V N 0.607 120.496 119.914 -0.042 0.000 2.439 220 V HA 0.403 4.523 4.120 -0.000 0.000 0.282 220 V C -0.299 175.679 176.094 -0.195 0.000 1.039 220 V CA -0.603 61.609 62.300 -0.147 0.000 0.913 220 V CB 1.503 33.160 31.823 -0.276 0.000 0.983 220 V HN 0.160 nan 8.190 nan 0.000 0.460 221 K N 2.602 122.846 120.400 -0.260 0.000 2.207 221 K HA 0.824 5.144 4.320 -0.000 0.000 0.255 221 K C -0.385 176.051 176.600 -0.272 0.000 0.941 221 K CA -0.202 55.902 56.287 -0.306 0.000 0.825 221 K CB 1.951 34.146 32.500 -0.508 0.000 1.119 221 K HN 0.687 nan 8.250 nan 0.000 0.430 222 S N -0.295 115.310 115.700 -0.158 0.000 2.643 222 S HA 0.632 5.102 4.470 -0.000 0.000 0.270 222 S C -1.442 173.204 174.600 0.075 0.000 1.166 222 S CA -0.713 57.424 58.200 -0.105 0.000 0.815 222 S CB 1.028 64.142 63.200 -0.142 0.000 1.139 222 S HN 0.703 nan 8.310 nan 0.000 0.472 223 T N -0.164 114.443 114.554 0.089 0.000 2.940 223 T HA 0.520 4.870 4.350 -0.000 0.000 0.288 223 T C 1.498 176.295 174.700 0.161 0.000 1.033 223 T CA -0.482 61.718 62.100 0.167 0.000 1.033 223 T CB 0.640 69.552 68.868 0.073 0.000 1.079 223 T HN 0.506 nan 8.240 nan 0.000 0.496 224 I N 0.180 120.850 120.570 0.167 0.000 2.361 224 I HA -0.024 4.146 4.170 -0.000 0.000 0.251 224 I C 2.279 178.488 176.117 0.153 0.000 1.133 224 I CA 1.115 62.511 61.300 0.160 0.000 1.413 224 I CB -1.205 36.911 38.000 0.195 0.000 1.073 224 I HN 0.742 nan 8.210 nan 0.000 0.424 225 E N 1.213 121.387 120.200 -0.043 0.000 2.031 225 E HA -0.224 4.125 4.350 -0.000 0.000 0.193 225 E C 1.829 178.522 176.600 0.156 0.000 0.994 225 E CA 1.630 58.026 56.400 -0.006 0.000 0.800 225 E CB -0.301 29.305 29.700 -0.157 0.000 0.752 225 E HN 0.507 nan 8.360 nan 0.000 0.447 226 D N 0.247 120.714 120.400 0.112 0.000 2.133 226 D HA -0.173 4.467 4.640 -0.000 0.000 0.195 226 D C 1.815 178.238 176.300 0.206 0.000 0.997 226 D CA 1.118 55.184 54.000 0.111 0.000 0.840 226 D CB -0.069 40.739 40.800 0.013 0.000 0.947 226 D HN 0.073 nan 8.370 nan 0.000 0.452 227 M N 0.116 119.855 119.600 0.232 0.000 2.229 227 M HA 0.012 4.492 4.480 -0.000 0.000 0.264 227 M C 2.192 178.695 176.300 0.338 0.000 1.063 227 M CA 0.691 56.193 55.300 0.336 0.000 1.114 227 M CB -1.064 31.709 32.600 0.287 0.000 1.387 227 M HN 0.002 nan 8.290 nan 0.000 0.420 228 A N 0.020 123.019 122.820 0.297 0.000 1.877 228 A HA -0.161 4.159 4.320 -0.000 0.000 0.216 228 A C 2.382 180.072 177.584 0.176 0.000 1.186 228 A CA 1.430 53.618 52.037 0.252 0.000 0.620 228 A CB -0.575 18.645 19.000 0.366 0.000 0.822 228 A HN 0.414 nan 8.150 nan 0.000 0.443 229 R N -1.598 119.023 120.500 0.202 0.000 2.096 229 R HA -0.174 4.166 4.340 -0.000 0.000 0.235 229 R C 2.174 178.585 176.300 0.185 0.000 1.127 229 R CA 1.410 57.602 56.100 0.153 0.000 0.968 229 R CB -0.400 29.991 30.300 0.151 0.000 0.861 229 R HN 0.880 nan 8.270 nan 0.000 0.440 230 W N 1.006 122.343 121.300 0.062 0.000 2.338 230 W HA -0.214 4.446 4.660 -0.000 0.000 0.304 230 W C 1.463 177.941 176.519 -0.069 0.000 1.212 230 W CA 1.188 58.563 57.345 0.051 0.000 1.264 230 W CB 0.018 29.568 29.460 0.149 0.000 1.142 230 W HN -0.107 nan 8.180 nan 0.000 0.512 231 V N 2.003 121.857 119.914 -0.099 0.000 2.427 231 V HA -0.341 3.779 4.120 -0.000 0.000 0.248 231 V C 2.577 178.360 176.094 -0.518 0.000 1.051 231 V CA 2.411 64.455 62.300 -0.426 0.000 1.048 231 V CB -0.929 30.767 31.823 -0.212 0.000 0.666 231 V HN 0.335 nan 8.190 nan 0.000 0.456 232 Q N -0.117 119.521 119.800 -0.269 0.000 2.167 232 Q HA -0.143 4.197 4.340 -0.000 0.000 0.202 232 Q C 2.203 178.024 176.000 -0.297 0.000 0.970 232 Q CA 1.894 57.545 55.803 -0.254 0.000 0.855 232 Q CB -0.568 28.096 28.738 -0.123 0.000 0.911 232 Q HN 0.564 nan 8.270 nan 0.000 0.438 233 S N 1.510 117.043 115.700 -0.279 0.000 2.402 233 S HA -0.039 4.431 4.470 -0.000 0.000 0.229 233 S C 1.593 175.939 174.600 -0.422 0.000 1.021 233 S CA 0.928 58.970 58.200 -0.263 0.000 0.974 233 S CB -0.135 62.982 63.200 -0.138 0.000 0.800 233 S HN 0.421 nan 8.310 nan 0.000 0.484 234 N N 1.045 119.321 118.700 -0.707 0.000 2.416 234 N HA 0.167 4.907 4.740 -0.000 0.000 0.177 234 N C 1.549 176.552 175.510 -0.846 0.000 1.036 234 N CA 0.374 52.914 53.050 -0.850 0.000 0.901 234 N CB -0.064 37.671 38.487 -1.253 0.000 0.976 234 N HN 0.328 nan 8.380 nan 0.000 0.444 235 L N 0.759 121.482 121.223 -0.833 0.000 2.023 235 L HA -0.039 4.301 4.340 -0.000 0.000 0.205 235 L C 0.652 177.337 176.870 -0.308 0.000 1.073 235 L CA 1.099 55.601 54.840 -0.564 0.000 0.745 235 L CB 0.070 41.850 42.059 -0.465 0.000 0.900 235 L HN -0.097 nan 8.230 nan 0.000 0.435 236 K N 0.172 120.413 120.400 -0.266 0.000 2.724 236 K HA 0.226 4.545 4.320 -0.000 0.000 0.198 236 K C -1.902 174.604 176.600 -0.157 0.000 1.099 236 K CA -1.505 54.677 56.287 -0.174 0.000 1.025 236 K CB 0.782 33.199 32.500 -0.140 0.000 1.509 236 K HN 0.030 nan 8.250 nan 0.000 0.564 237 P HA -0.151 nan 4.420 nan 0.000 0.221 237 P C 1.258 178.509 177.300 -0.082 0.000 1.145 237 P CA 0.891 63.916 63.100 -0.125 0.000 0.795 237 P CB 0.308 31.940 31.700 -0.113 0.000 0.775 238 L N -0.027 121.151 121.223 -0.076 0.000 2.093 238 L HA -0.116 4.223 4.340 -0.000 0.000 0.208 238 L C 1.910 178.750 176.870 -0.050 0.000 1.085 238 L CA 1.413 56.220 54.840 -0.056 0.000 0.755 238 L CB -1.067 40.959 42.059 -0.054 0.000 0.904 238 L HN -0.088 nan 8.230 nan 0.000 0.435 239 D N 0.367 120.732 120.400 -0.058 0.000 2.403 239 D HA 0.032 4.671 4.640 -0.000 0.000 0.227 239 D C 0.709 176.985 176.300 -0.040 0.000 0.995 239 D CA 0.700 54.672 54.000 -0.048 0.000 0.928 239 D CB -0.092 40.675 40.800 -0.055 0.000 0.887 239 D HN 0.277 nan 8.370 nan 0.000 0.529 240 I N 1.353 121.899 120.570 -0.041 0.000 2.395 240 I HA 0.009 4.179 4.170 -0.000 0.000 0.289 240 I C 1.362 177.468 176.117 -0.019 0.000 1.023 240 I CA -0.487 60.797 61.300 -0.028 0.000 1.350 240 I CB 1.182 39.166 38.000 -0.027 0.000 1.409 240 I HN -0.125 nan 8.210 nan 0.000 0.507 241 N N 4.837 123.529 118.700 -0.012 0.000 2.022 241 N HA -0.158 4.582 4.740 -0.000 0.000 0.194 241 N C -0.103 175.403 175.510 -0.008 0.000 1.057 241 N CA 0.729 53.773 53.050 -0.010 0.000 0.849 241 N CB -0.260 38.223 38.487 -0.007 0.000 1.044 241 N HN 0.524 nan 8.380 nan 0.000 0.424 242 E N 0.828 121.026 120.200 -0.004 0.000 2.351 242 E HA 0.046 4.396 4.350 -0.000 0.000 0.266 242 E C 0.430 177.028 176.600 -0.003 0.000 1.031 242 E CA 0.073 56.471 56.400 -0.004 0.000 0.911 242 E CB 0.786 30.485 29.700 -0.003 0.000 0.986 242 E HN 0.238 nan 8.360 nan 0.000 0.446 243 K N 1.397 121.794 120.400 -0.005 0.000 2.063 243 K HA -0.165 4.154 4.320 -0.000 0.000 0.208 243 K C 1.860 178.461 176.600 0.000 0.000 1.048 243 K CA 1.875 58.159 56.287 -0.004 0.000 0.928 243 K CB -0.150 32.347 32.500 -0.005 0.000 0.713 243 K HN 0.649 nan 8.250 nan 0.000 0.442 244 T N -0.104 114.451 114.554 0.002 0.000 2.962 244 T HA -0.085 4.265 4.350 -0.000 0.000 0.270 244 T C 1.740 176.450 174.700 0.016 0.000 1.088 244 T CA 0.596 62.701 62.100 0.007 0.000 1.127 244 T CB -0.051 68.818 68.868 0.001 0.000 0.883 244 T HN 0.009 nan 8.240 nan 0.000 0.493 245 L N 0.730 121.963 121.223 0.016 0.000 2.162 245 L HA 0.237 4.577 4.340 -0.000 0.000 0.205 245 L C 2.685 179.570 176.870 0.026 0.000 1.086 245 L CA 1.368 56.228 54.840 0.032 0.000 0.778 245 L CB -0.910 41.171 42.059 0.036 0.000 0.928 245 L HN 0.301 nan 8.230 nan 0.000 0.446 246 Q N -0.758 119.047 119.800 0.009 0.000 1.993 246 Q HA -0.269 4.071 4.340 -0.000 0.000 0.202 246 Q C 2.110 178.110 176.000 0.000 0.000 0.984 246 Q CA 2.306 58.105 55.803 -0.007 0.000 0.837 246 Q CB -0.133 28.597 28.738 -0.013 0.000 0.902 246 Q HN 0.631 nan 8.270 nan 0.000 0.423 247 Q N -0.525 119.280 119.800 0.009 0.000 2.061 247 Q HA -0.157 4.183 4.340 -0.000 0.000 0.204 247 Q C 2.093 178.117 176.000 0.040 0.000 0.984 247 Q CA 1.243 57.057 55.803 0.018 0.000 0.846 247 Q CB -0.432 28.318 28.738 0.019 0.000 0.902 247 Q HN 0.579 nan 8.270 nan 0.000 0.421 248 G N 1.489 110.319 108.800 0.049 0.000 2.476 248 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.218 248 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.218 248 G C 1.426 176.387 174.900 0.102 0.000 1.164 248 G CA 0.951 46.099 45.100 0.081 0.000 0.768 248 G HN 0.256 nan 8.290 nan 0.000 0.560 249 I N 0.092 120.705 120.570 0.071 0.000 2.315 249 I HA -0.179 3.991 4.170 -0.000 0.000 0.248 249 I C 2.955 179.103 176.117 0.051 0.000 1.117 249 I CA 1.139 62.473 61.300 0.057 0.000 1.404 249 I CB -0.296 37.680 38.000 -0.041 0.000 1.071 249 I HN 0.267 nan 8.210 nan 0.000 0.419 250 Q N 0.466 120.283 119.800 0.028 0.000 2.172 250 Q HA -0.098 4.242 4.340 -0.000 0.000 0.200 250 Q C 2.339 178.373 176.000 0.057 0.000 0.964 250 Q CA 1.130 56.944 55.803 0.017 0.000 0.855 250 Q CB 0.055 28.791 28.738 -0.004 0.000 0.918 250 Q HN 0.517 nan 8.270 nan 0.000 0.444 251 L N -0.332 120.949 121.223 0.097 0.000 2.156 251 L HA -0.079 4.260 4.340 -0.000 0.000 0.208 251 L C 2.263 179.285 176.870 0.252 0.000 1.095 251 L CA 0.750 55.684 54.840 0.158 0.000 0.770 251 L CB -0.401 41.753 42.059 0.158 0.000 0.914 251 L HN 0.190 nan 8.230 nan 0.000 0.439 252 A N -0.914 122.049 122.820 0.239 0.000 2.119 252 A HA -0.129 4.191 4.320 -0.000 0.000 0.217 252 A C 1.955 179.755 177.584 0.360 0.000 1.153 252 A CA 0.912 53.143 52.037 0.324 0.000 0.692 252 A CB -0.176 19.052 19.000 0.380 0.000 0.799 252 A HN 0.474 nan 8.150 nan 0.000 0.458 253 Q N -0.087 119.843 119.800 0.216 0.000 2.198 253 Q HA 0.208 4.548 4.340 -0.000 0.000 0.209 253 Q C -0.303 175.733 176.000 0.059 0.000 0.848 253 Q CA -0.299 55.577 55.803 0.123 0.000 0.974 253 Q CB 0.525 29.260 28.738 -0.005 0.000 1.115 253 Q HN 0.463 nan 8.270 nan 0.000 0.494 254 S N 0.819 116.552 115.700 0.055 0.000 2.580 254 S HA 0.269 4.739 4.470 -0.000 0.000 0.274 254 S C 0.055 174.504 174.600 -0.252 0.000 1.329 254 S CA -0.295 57.791 58.200 -0.190 0.000 1.036 254 S CB 0.638 63.596 63.200 -0.402 0.000 0.919 254 S HN 0.219 nan 8.310 nan 0.000 0.515 255 R N 1.946 122.272 120.500 -0.289 0.000 2.296 255 R HA 0.218 4.558 4.340 -0.000 0.000 0.327 255 R C -0.219 175.949 176.300 -0.220 0.000 1.137 255 R CA -0.063 55.974 56.100 -0.106 0.000 1.020 255 R CB 0.086 30.333 30.300 -0.089 0.000 1.110 255 R HN 0.672 nan 8.270 nan 0.000 0.499 256 Y N 0.353 120.659 120.300 0.010 0.000 2.314 256 Y HA 0.037 4.587 4.550 -0.000 0.000 0.294 256 Y C 0.307 175.949 175.900 -0.430 0.000 1.119 256 Y CA 0.736 58.699 58.100 -0.227 0.000 1.179 256 Y CB 0.327 38.652 38.460 -0.224 0.000 1.025 256 Y HN 0.413 nan 8.280 nan 0.000 0.541 257 W N -0.399 121.047 121.300 0.244 0.000 3.031 257 W HA 0.545 5.205 4.660 0.000 0.000 0.337 257 W C -0.822 175.766 176.519 0.115 0.000 1.187 257 W CA -0.993 56.445 57.345 0.156 0.000 1.166 257 W CB 1.293 30.831 29.460 0.131 0.000 1.437 257 W HN -0.420 nan 8.180 nan 0.000 0.551 258 Q N 1.188 121.167 119.800 0.298 0.000 2.347 258 Q HA 0.676 5.016 4.340 -0.000 0.000 0.271 258 Q C -1.287 174.712 176.000 -0.001 0.000 1.064 258 Q CA -0.543 55.257 55.803 -0.006 0.000 0.800 258 Q CB 2.477 31.154 28.738 -0.102 0.000 1.304 258 Q HN 0.397 nan 8.270 nan 0.000 0.438 259 T N 2.537 117.030 114.554 -0.100 0.000 3.355 259 T HA 0.601 4.951 4.350 -0.000 0.000 0.324 259 T C 0.153 174.790 174.700 -0.104 0.000 0.932 259 T CA 0.704 62.764 62.100 -0.067 0.000 1.032 259 T CB 0.307 69.156 68.868 -0.031 0.000 1.027 259 T HN 1.275 nan 8.240 nan 0.000 0.456 260 G N 5.251 113.990 108.800 -0.103 0.000 2.509 260 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.259 260 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.259 260 G C 0.060 174.873 174.900 -0.145 0.000 1.169 260 G CA 0.558 45.601 45.100 -0.095 0.000 0.953 260 G HN 1.010 nan 8.290 nan 0.000 0.563 261 D N -0.014 120.319 120.400 -0.111 0.000 2.358 261 D HA 0.346 4.986 4.640 -0.000 0.000 0.224 261 D C 0.980 177.222 176.300 -0.098 0.000 1.123 261 D CA 0.054 53.999 54.000 -0.092 0.000 0.833 261 D CB 0.202 40.986 40.800 -0.027 0.000 0.946 261 D HN 0.466 nan 8.370 nan 0.000 0.505 262 M N 1.031 120.523 119.600 -0.180 0.000 2.336 262 M HA 0.353 4.833 4.480 -0.000 0.000 0.342 262 M C -1.731 174.431 176.300 -0.231 0.000 1.128 262 M CA -0.596 54.672 55.300 -0.053 0.000 1.016 262 M CB 1.443 34.069 32.600 0.044 0.000 1.665 262 M HN -0.134 nan 8.290 nan 0.000 0.445 263 Y N 2.242 122.643 120.300 0.169 0.000 2.341 263 Y HA 0.350 4.900 4.550 -0.000 0.000 0.338 263 Y C -0.118 175.927 175.900 0.240 0.000 0.965 263 Y CA -0.749 57.460 58.100 0.181 0.000 1.108 263 Y CB 1.440 39.975 38.460 0.125 0.000 1.180 263 Y HN 0.540 nan 8.280 nan 0.000 0.458 264 Q N 2.454 122.498 119.800 0.408 0.000 2.337 264 Q HA 0.500 4.840 4.340 -0.000 0.000 0.255 264 Q C 0.147 176.417 176.000 0.450 0.000 0.997 264 Q CA -0.125 55.923 55.803 0.408 0.000 0.925 264 Q CB 0.861 29.844 28.738 0.409 0.000 1.212 264 Q HN 0.896 nan 8.270 nan 0.000 0.436 265 G N 2.919 111.961 108.800 0.404 0.000 2.630 265 G HA2 0.444 4.404 3.960 -0.000 0.000 0.223 265 G HA3 0.444 4.404 3.960 -0.000 0.000 0.223 265 G C -0.842 174.208 174.900 0.250 0.000 1.434 265 G CA -0.798 44.567 45.100 0.442 0.000 1.057 265 G HN 0.606 nan 8.290 nan 0.000 0.570 266 L N 0.962 122.305 121.223 0.199 0.000 2.259 266 L HA 0.444 4.784 4.340 -0.000 0.000 0.288 266 L C 1.419 178.316 176.870 0.046 0.000 1.051 266 L CA 0.456 55.282 54.840 -0.022 0.000 0.824 266 L CB 0.674 42.709 42.059 -0.040 0.000 1.206 266 L HN 1.018 nan 8.230 nan 0.000 0.429 267 G N 2.195 110.979 108.800 -0.027 0.000 3.548 267 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.224 267 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.224 267 G C 0.079 174.991 174.900 0.020 0.000 1.351 267 G CA -0.082 44.997 45.100 -0.035 0.000 0.905 267 G HN 0.525 nan 8.290 nan 0.000 0.561 268 W N 1.944 123.348 121.300 0.173 0.000 2.150 268 W HA 0.599 5.259 4.660 -0.000 0.000 0.341 268 W C 0.810 177.452 176.519 0.204 0.000 1.276 268 W CA -0.273 57.176 57.345 0.173 0.000 1.238 268 W CB 0.467 30.007 29.460 0.134 0.000 1.128 268 W HN 0.282 nan 8.180 nan 0.000 0.581 269 E N 1.318 121.859 120.200 0.569 0.000 2.288 269 E HA 0.538 4.888 4.350 -0.000 0.000 0.268 269 E C -0.963 175.917 176.600 0.467 0.000 0.885 269 E CA -1.108 55.584 56.400 0.487 0.000 0.767 269 E CB 1.824 31.809 29.700 0.474 0.000 1.220 269 E HN 0.163 nan 8.360 nan 0.000 0.427 270 M N 2.025 121.858 119.600 0.389 0.000 2.501 270 M HA 0.487 4.966 4.480 -0.000 0.000 0.293 270 M C -1.568 174.954 176.300 0.370 0.000 1.192 270 M CA -0.365 55.113 55.300 0.298 0.000 0.886 270 M CB 1.754 34.462 32.600 0.179 0.000 1.710 270 M HN 0.287 nan 8.290 nan 0.000 0.457 271 L N 0.669 122.077 121.223 0.307 0.000 2.409 271 L HA 0.534 4.874 4.340 -0.000 0.000 0.262 271 L C -0.608 176.418 176.870 0.260 0.000 0.992 271 L CA -0.568 54.453 54.840 0.303 0.000 0.817 271 L CB 2.039 44.198 42.059 0.166 0.000 1.350 271 L HN 0.588 nan 8.230 nan 0.000 0.411 272 D N 0.944 121.476 120.400 0.221 0.000 2.414 272 D HA -0.006 4.634 4.640 -0.000 0.000 0.242 272 D C -1.096 175.325 176.300 0.202 0.000 1.129 272 D CA 0.199 54.294 54.000 0.157 0.000 0.885 272 D CB 1.266 42.123 40.800 0.094 0.000 1.198 272 D HN 0.351 nan 8.370 nan 0.000 0.437 273 W N 4.523 125.867 121.300 0.073 0.000 2.469 273 W HA 0.276 4.936 4.660 -0.000 0.000 0.320 273 W C -2.216 174.342 176.519 0.067 0.000 1.086 273 W CA -1.787 55.620 57.345 0.102 0.000 1.211 273 W CB 1.227 30.759 29.460 0.121 0.000 1.298 273 W HN 0.249 nan 8.180 nan 0.000 0.525 274 P HA 0.100 nan 4.420 nan 0.000 0.272 274 P C -0.860 176.042 177.300 -0.664 0.000 1.223 274 P CA -0.084 62.116 63.100 -1.499 0.000 0.784 274 P CB 2.129 33.231 31.700 -0.996 0.000 0.923 275 V N 1.778 121.322 119.914 -0.616 0.000 3.093 275 V HA 0.315 4.435 4.120 -0.000 0.000 0.320 275 V C 0.077 175.923 176.094 -0.414 0.000 1.093 275 V CA -0.854 61.258 62.300 -0.314 0.000 1.016 275 V CB 1.748 33.456 31.823 -0.192 0.000 1.096 275 V HN 0.679 nan 8.190 nan 0.000 0.452 276 N N 3.775 122.247 118.700 -0.379 0.000 2.462 276 N HA 0.387 5.127 4.740 -0.000 0.000 0.242 276 N C -1.895 173.269 175.510 -0.577 0.000 1.010 276 N CA -1.937 50.864 53.050 -0.415 0.000 0.939 276 N CB 1.541 39.867 38.487 -0.268 0.000 1.127 276 N HN 0.222 nan 8.380 nan 0.000 0.509 277 P HA -0.214 nan 4.420 nan 0.000 0.219 277 P C 0.158 177.113 177.300 -0.575 0.000 1.161 277 P CA 1.811 64.261 63.100 -1.083 0.000 0.909 277 P CB 0.192 31.101 31.700 -1.318 0.000 0.793 278 D N -1.277 118.878 120.400 -0.408 0.000 2.123 278 D HA -0.155 4.484 4.640 -0.000 0.000 0.196 278 D C 2.030 178.207 176.300 -0.206 0.000 0.992 278 D CA 1.424 55.272 54.000 -0.253 0.000 0.833 278 D CB -0.991 39.693 40.800 -0.193 0.000 0.954 278 D HN 0.102 nan 8.370 nan 0.000 0.455 279 S N 0.264 115.833 115.700 -0.220 0.000 2.374 279 S HA -0.163 4.307 4.470 -0.000 0.000 0.227 279 S C 1.919 176.440 174.600 -0.131 0.000 1.037 279 S CA 1.357 59.461 58.200 -0.159 0.000 1.024 279 S CB -0.411 62.691 63.200 -0.163 0.000 0.861 279 S HN 0.481 nan 8.310 nan 0.000 0.456 280 I N -1.996 118.456 120.570 -0.196 0.000 3.419 280 I HA 0.220 4.389 4.170 -0.000 0.000 0.286 280 I C 1.773 177.865 176.117 -0.043 0.000 1.268 280 I CA 0.393 61.637 61.300 -0.094 0.000 1.414 280 I CB -0.262 37.608 38.000 -0.216 0.000 1.074 280 I HN 0.202 nan 8.210 nan 0.000 0.457 281 I N 2.256 122.756 120.570 -0.117 0.000 2.260 281 I HA -0.142 4.028 4.170 -0.000 0.000 0.237 281 I C 2.155 178.238 176.117 -0.057 0.000 1.075 281 I CA 1.642 62.894 61.300 -0.080 0.000 1.376 281 I CB -0.545 37.388 38.000 -0.112 0.000 1.107 281 I HN 0.199 nan 8.210 nan 0.000 0.420 282 N N 0.819 119.478 118.700 -0.069 0.000 2.166 282 N HA -0.142 4.598 4.740 -0.000 0.000 0.186 282 N C 1.961 177.452 175.510 -0.033 0.000 1.019 282 N CA 1.075 54.095 53.050 -0.050 0.000 0.856 282 N CB -0.415 38.038 38.487 -0.057 0.000 0.993 282 N HN 0.421 nan 8.380 nan 0.000 0.426 283 G N 0.868 109.651 108.800 -0.028 0.000 2.475 283 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.220 283 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.220 283 G C 1.558 176.471 174.900 0.020 0.000 1.125 283 G CA 1.243 46.343 45.100 0.000 0.000 0.755 283 G HN 0.469 nan 8.290 nan 0.000 0.565 284 S N -0.429 115.284 115.700 0.021 0.000 2.593 284 S HA 0.055 4.525 4.470 -0.000 0.000 0.217 284 S C 0.679 175.267 174.600 -0.020 0.000 0.966 284 S CA 0.021 58.229 58.200 0.013 0.000 0.914 284 S CB -0.027 63.179 63.200 0.010 0.000 0.776 284 S HN 0.356 nan 8.310 nan 0.000 0.523 285 D N 1.763 122.149 120.400 -0.023 0.000 2.424 285 D HA 0.077 4.717 4.640 -0.000 0.000 0.244 285 D C 0.684 176.971 176.300 -0.022 0.000 1.134 285 D CA 0.116 54.099 54.000 -0.028 0.000 0.881 285 D CB 0.428 41.213 40.800 -0.025 0.000 1.191 285 D HN 0.335 nan 8.370 nan 0.000 0.445 286 N N 2.527 121.213 118.700 -0.023 0.000 2.091 286 N HA -0.268 4.471 4.740 -0.000 0.000 0.193 286 N C 1.664 177.166 175.510 -0.013 0.000 1.021 286 N CA 1.605 54.644 53.050 -0.019 0.000 0.862 286 N CB 0.081 38.559 38.487 -0.016 0.000 1.018 286 N HN 0.534 nan 8.380 nan 0.000 0.429 287 K N 0.928 121.322 120.400 -0.011 0.000 2.097 287 K HA -0.060 4.260 4.320 -0.000 0.000 0.206 287 K C 1.763 178.358 176.600 -0.008 0.000 1.049 287 K CA 1.140 57.423 56.287 -0.006 0.000 0.933 287 K CB -0.254 32.243 32.500 -0.004 0.000 0.717 287 K HN 0.184 nan 8.250 nan 0.000 0.442 288 I N 1.421 121.983 120.570 -0.013 0.000 2.193 288 I HA -0.152 4.018 4.170 -0.000 0.000 0.240 288 I C 2.367 178.473 176.117 -0.018 0.000 1.084 288 I CA 1.057 62.348 61.300 -0.016 0.000 1.365 288 I CB -0.312 37.678 38.000 -0.017 0.000 1.064 288 I HN 0.359 nan 8.210 nan 0.000 0.410 289 A N -0.011 122.798 122.820 -0.018 0.000 2.248 289 A HA -0.010 4.310 4.320 -0.000 0.000 0.210 289 A C 1.901 179.460 177.584 -0.042 0.000 1.174 289 A CA 0.976 52.997 52.037 -0.027 0.000 0.750 289 A CB -0.472 18.513 19.000 -0.024 0.000 0.780 289 A HN 0.479 nan 8.150 nan 0.000 0.478 290 L N -1.382 119.826 121.223 -0.026 0.000 2.766 290 L HA 0.305 4.645 4.340 -0.000 0.000 0.242 290 L C 0.903 177.778 176.870 0.007 0.000 1.136 290 L CA -0.132 54.697 54.840 -0.018 0.000 0.933 290 L CB 0.337 42.392 42.059 -0.006 0.000 1.241 290 L HN 0.334 nan 8.230 nan 0.000 0.522 291 A N 0.754 123.574 122.820 -0.001 0.000 2.309 291 A HA 0.718 5.038 4.320 -0.000 0.000 0.298 291 A C 0.505 178.078 177.584 -0.019 0.000 1.165 291 A CA -0.238 51.806 52.037 0.012 0.000 0.821 291 A CB 0.623 19.623 19.000 0.001 0.000 1.102 291 A HN 0.188 nan 8.150 nan 0.000 0.500 292 A N 2.514 125.325 122.820 -0.014 0.000 2.507 292 A HA 0.511 4.831 4.320 -0.000 0.000 0.235 292 A C 0.620 178.082 177.584 -0.204 0.000 1.070 292 A CA 0.321 52.261 52.037 -0.162 0.000 0.768 292 A CB 0.175 18.928 19.000 -0.411 0.000 1.011 292 A HN 0.834 nan 8.150 nan 0.000 0.502 293 R N 1.201 121.552 120.500 -0.248 0.000 2.548 293 R HA 0.365 4.705 4.340 -0.000 0.000 0.280 293 R C -3.030 173.129 176.300 -0.236 0.000 1.061 293 R CA -1.796 54.186 56.100 -0.197 0.000 0.915 293 R CB 2.482 32.713 30.300 -0.115 0.000 1.210 293 R HN 0.575 nan 8.270 nan 0.000 0.442 294 P HA 0.035 nan 4.420 nan 0.000 0.269 294 P C -0.393 176.837 177.300 -0.117 0.000 1.209 294 P CA -0.110 62.876 63.100 -0.190 0.000 0.776 294 P CB 0.902 32.517 31.700 -0.140 0.000 0.876 295 V N -0.445 119.411 119.914 -0.096 0.000 2.914 295 V HA 0.637 4.757 4.120 -0.000 0.000 0.314 295 V C -0.375 175.832 176.094 0.188 0.000 1.084 295 V CA -1.136 61.180 62.300 0.027 0.000 0.963 295 V CB 2.271 34.062 31.823 -0.054 0.000 1.025 295 V HN 0.484 nan 8.190 nan 0.000 0.432 296 K N 2.403 122.970 120.400 0.278 0.000 2.323 296 K HA 0.794 5.114 4.320 -0.000 0.000 0.259 296 K C -0.057 176.760 176.600 0.361 0.000 0.947 296 K CA -0.372 56.076 56.287 0.269 0.000 0.819 296 K CB 1.808 34.388 32.500 0.134 0.000 1.109 296 K HN 1.251 nan 8.250 nan 0.000 0.429 297 A N 5.066 128.053 122.820 0.278 0.000 2.477 297 A HA 0.241 4.560 4.320 -0.000 0.000 0.246 297 A C 0.005 177.524 177.584 -0.109 0.000 1.078 297 A CA -0.126 51.833 52.037 -0.130 0.000 0.770 297 A CB -0.142 18.762 19.000 -0.161 0.000 1.011 297 A HN 0.791 nan 8.150 nan 0.000 0.494 298 I N 3.051 123.489 120.570 -0.219 0.000 2.313 298 I HA 0.161 4.331 4.170 -0.000 0.000 0.286 298 I C -0.197 175.820 176.117 -0.166 0.000 1.091 298 I CA 0.048 61.278 61.300 -0.117 0.000 1.216 298 I CB 0.843 38.797 38.000 -0.076 0.000 1.434 298 I HN 0.530 nan 8.210 nan 0.000 0.487 299 T N 6.416 120.903 114.554 -0.112 0.000 2.853 299 T HA 0.404 4.754 4.350 -0.000 0.000 0.317 299 T C -1.622 173.037 174.700 -0.068 0.000 1.059 299 T CA -0.924 61.119 62.100 -0.096 0.000 0.954 299 T CB 0.707 69.537 68.868 -0.065 0.000 0.994 299 T HN 0.441 nan 8.240 nan 0.000 0.479 300 P HA 0.548 nan 4.420 nan 0.000 0.287 300 P C -3.063 174.146 177.300 -0.151 0.000 1.296 300 P CA -2.233 60.805 63.100 -0.103 0.000 0.811 300 P CB 0.129 31.782 31.700 -0.078 0.000 1.211 301 P HA 0.090 nan 4.420 nan 0.000 0.266 301 P C -0.329 176.812 177.300 -0.266 0.000 1.195 301 P CA 0.422 63.314 63.100 -0.345 0.000 0.768 301 P CB -0.014 31.307 31.700 -0.632 0.000 0.838 302 T N 5.018 119.423 114.554 -0.248 0.000 2.869 302 T HA 0.278 4.628 4.350 -0.000 0.000 0.295 302 T C -2.097 172.481 174.700 -0.204 0.000 0.987 302 T CA -1.078 60.907 62.100 -0.192 0.000 1.109 302 T CB 0.064 68.821 68.868 -0.185 0.000 0.932 302 T HN 0.267 nan 8.240 nan 0.000 0.518 303 P HA 0.240 nan 4.420 nan 0.000 0.273 303 P C -0.670 176.558 177.300 -0.120 0.000 1.250 303 P CA -0.532 62.492 63.100 -0.127 0.000 0.793 303 P CB 0.314 31.960 31.700 -0.090 0.000 1.011 304 A N 1.443 124.207 122.820 -0.093 0.000 2.573 304 A HA 0.082 4.401 4.320 -0.000 0.000 0.250 304 A C 0.095 177.626 177.584 -0.089 0.000 1.049 304 A CA 0.223 52.209 52.037 -0.085 0.000 0.767 304 A CB -0.917 18.046 19.000 -0.062 0.000 0.965 304 A HN 0.347 nan 8.150 nan 0.000 0.514 305 V N 5.388 125.240 119.914 -0.104 0.000 2.455 305 V HA 0.102 4.221 4.120 -0.000 0.000 0.273 305 V C 1.555 177.607 176.094 -0.070 0.000 1.045 305 V CA -0.074 62.169 62.300 -0.094 0.000 0.976 305 V CB 0.742 32.489 31.823 -0.126 0.000 0.993 305 V HN 1.058 nan 8.190 nan 0.000 0.475 306 R N 3.738 124.206 120.500 -0.054 0.000 2.081 306 R HA -0.006 4.334 4.340 -0.000 0.000 0.235 306 R C 1.526 177.809 176.300 -0.028 0.000 1.131 306 R CA 1.351 57.422 56.100 -0.048 0.000 0.960 306 R CB -0.178 30.095 30.300 -0.045 0.000 0.856 306 R HN 0.811 nan 8.270 nan 0.000 0.436 307 A N 0.788 123.615 122.820 0.012 0.000 3.077 307 A HA 0.262 4.581 4.320 -0.000 0.000 0.255 307 A C -0.607 177.066 177.584 0.149 0.000 1.728 307 A CA 0.022 52.118 52.037 0.098 0.000 1.383 307 A CB -0.138 18.941 19.000 0.130 0.000 1.097 307 A HN 0.127 nan 8.150 nan 0.000 0.634 308 S N 0.224 115.969 115.700 0.076 0.000 2.634 308 S HA 0.603 5.073 4.470 -0.000 0.000 0.296 308 S C -0.916 173.736 174.600 0.088 0.000 1.104 308 S CA -0.624 57.636 58.200 0.101 0.000 0.920 308 S CB 1.292 64.474 63.200 -0.030 0.000 1.111 308 S HN 0.679 nan 8.310 nan 0.000 0.493 309 W N 3.003 124.292 121.300 -0.018 0.000 2.278 309 W HA 0.575 5.235 4.660 -0.000 0.000 0.317 309 W C -1.984 174.362 176.519 -0.288 0.000 1.030 309 W CA -0.641 56.642 57.345 -0.105 0.000 1.334 309 W CB 0.598 30.124 29.460 0.110 0.000 1.215 309 W HN 0.345 nan 8.180 nan 0.000 0.405 310 V N 7.755 127.185 119.914 -0.807 0.000 2.398 310 V HA 0.416 4.536 4.120 -0.000 0.000 0.286 310 V C 0.091 175.763 176.094 -0.704 0.000 1.026 310 V CA -0.266 61.521 62.300 -0.854 0.000 0.868 310 V CB 1.074 31.828 31.823 -1.782 0.000 0.982 310 V HN 0.680 nan 8.190 nan 0.000 0.443 311 H N 2.679 121.684 119.070 -0.108 0.000 2.933 311 H HA 0.914 5.470 4.556 -0.000 0.000 0.310 311 H C -1.175 174.432 175.328 0.464 0.000 1.351 311 H CA -1.380 54.742 56.048 0.123 0.000 1.137 311 H CB 2.274 32.149 29.762 0.189 0.000 1.853 311 H HN 0.416 nan 8.280 nan 0.000 0.539 312 K N 1.199 121.770 120.400 0.284 0.000 2.578 312 K HA 0.215 4.535 4.320 -0.000 0.000 0.263 312 K C -1.356 175.382 176.600 0.231 0.000 0.973 312 K CA -0.021 56.363 56.287 0.162 0.000 0.909 312 K CB 1.765 34.302 32.500 0.062 0.000 1.326 312 K HN 0.920 nan 8.250 nan 0.000 0.440 313 T N 0.004 114.691 114.554 0.221 0.000 2.847 313 T HA 0.886 5.235 4.350 -0.000 0.000 0.279 313 T C 0.385 175.187 174.700 0.170 0.000 0.984 313 T CA -0.331 61.928 62.100 0.265 0.000 0.988 313 T CB 1.582 70.528 68.868 0.131 0.000 1.040 313 T HN 0.719 nan 8.240 nan 0.000 0.528 314 G N -1.125 107.770 108.800 0.158 0.000 2.655 314 G HA2 0.707 4.667 3.960 -0.000 0.000 0.296 314 G HA3 0.707 4.667 3.960 -0.000 0.000 0.296 314 G C -1.563 173.419 174.900 0.138 0.000 1.485 314 G CA -0.406 44.780 45.100 0.143 0.000 0.869 314 G HN 1.167 nan 8.290 nan 0.000 0.540 315 A N 0.082 122.976 122.820 0.125 0.000 2.601 315 A HA 1.025 5.345 4.320 -0.000 0.000 0.291 315 A C -0.126 177.530 177.584 0.119 0.000 1.075 315 A CA 0.243 52.363 52.037 0.138 0.000 0.671 315 A CB 1.571 20.623 19.000 0.087 0.000 1.277 315 A HN 2.239 nan 8.150 nan 0.000 0.417 316 T N -2.706 111.951 114.554 0.173 0.000 2.696 316 T HA 0.621 4.971 4.350 -0.000 0.000 0.291 316 T C 1.280 176.075 174.700 0.158 0.000 1.095 316 T CA 0.241 62.423 62.100 0.137 0.000 1.026 316 T CB 0.889 69.880 68.868 0.205 0.000 1.390 316 T HN 1.847 nan 8.240 nan 0.000 0.513 317 G N -0.156 108.724 108.800 0.133 0.000 2.469 317 G HA2 0.158 4.118 3.960 -0.000 0.000 0.220 317 G HA3 0.158 4.118 3.960 -0.000 0.000 0.220 317 G C 1.098 176.077 174.900 0.132 0.000 1.136 317 G CA 0.792 45.961 45.100 0.115 0.000 0.759 317 G HN 1.319 nan 8.290 nan 0.000 0.562 318 G N -1.456 107.454 108.800 0.183 0.000 3.596 318 G HA2 0.489 4.449 3.960 -0.000 0.000 0.274 318 G HA3 0.489 4.449 3.960 -0.000 0.000 0.274 318 G C -0.480 174.374 174.900 -0.076 0.000 1.007 318 G CA -0.507 44.617 45.100 0.041 0.000 0.825 318 G HN 0.183 nan 8.290 nan 0.000 0.508 319 F N -0.061 120.011 119.950 0.204 0.000 2.563 319 F HA 0.706 5.233 4.527 -0.000 0.000 0.316 319 F C 0.379 176.322 175.800 0.239 0.000 1.076 319 F CA -0.983 57.175 58.000 0.263 0.000 0.921 319 F CB 2.711 41.875 39.000 0.274 0.000 1.209 319 F HN 0.015 nan 8.300 nan 0.000 0.462 320 G N 0.927 110.017 108.800 0.483 0.000 2.723 320 G HA2 0.550 4.510 3.960 -0.000 0.000 0.295 320 G HA3 0.550 4.510 3.960 -0.000 0.000 0.295 320 G C -1.484 173.621 174.900 0.341 0.000 1.464 320 G CA -0.675 44.623 45.100 0.330 0.000 1.012 320 G HN 0.736 nan 8.290 nan 0.000 0.522 321 S N 0.981 116.838 115.700 0.260 0.000 2.671 321 S HA 0.877 5.347 4.470 -0.000 0.000 0.299 321 S C -1.425 173.372 174.600 0.329 0.000 1.116 321 S CA -1.024 57.340 58.200 0.273 0.000 0.912 321 S CB 2.515 65.864 63.200 0.249 0.000 1.130 321 S HN 1.113 nan 8.310 nan 0.000 0.501 322 Y N -0.357 120.050 120.300 0.177 0.000 2.521 322 Y HA 0.589 5.139 4.550 -0.000 0.000 0.332 322 Y C -2.105 173.945 175.900 0.249 0.000 1.121 322 Y CA -0.988 57.230 58.100 0.198 0.000 1.037 322 Y CB 1.617 40.191 38.460 0.189 0.000 1.330 322 Y HN 0.747 nan 8.280 nan 0.000 0.452 323 V N 4.666 124.398 119.914 -0.304 0.000 2.532 323 V HA 0.875 4.994 4.120 -0.000 0.000 0.294 323 V C -0.752 175.140 176.094 -0.338 0.000 1.036 323 V CA -0.337 61.886 62.300 -0.129 0.000 0.876 323 V CB 1.252 33.260 31.823 0.307 0.000 1.012 323 V HN 0.981 nan 8.190 nan 0.000 0.432 324 A N 5.405 127.958 122.820 -0.445 0.000 2.386 324 A HA 1.064 5.384 4.320 -0.000 0.000 0.311 324 A C -1.110 176.161 177.584 -0.523 0.000 1.068 324 A CA -0.544 51.116 52.037 -0.629 0.000 0.743 324 A CB 1.582 20.136 19.000 -0.744 0.000 1.258 324 A HN 1.476 nan 8.150 nan 0.000 0.429 325 F N 0.065 119.523 119.950 -0.821 0.000 2.635 325 F HA 0.687 5.214 4.527 -0.000 0.000 0.314 325 F C -1.549 173.871 175.800 -0.633 0.000 1.119 325 F CA -1.207 56.394 58.000 -0.664 0.000 1.000 325 F CB 0.890 39.572 39.000 -0.529 0.000 1.278 325 F HN 0.325 nan 8.300 nan 0.000 0.446 326 I N 5.367 125.709 120.570 -0.381 0.000 2.347 326 I HA 0.295 4.465 4.170 -0.000 0.000 0.283 326 I C -1.656 174.334 176.117 -0.212 0.000 1.058 326 I CA -1.936 59.128 61.300 -0.393 0.000 1.202 326 I CB 1.277 38.885 38.000 -0.654 0.000 1.386 326 I HN 0.441 nan 8.210 nan 0.000 0.475 327 P HA -0.233 nan 4.420 nan 0.000 0.216 327 P C 1.319 178.544 177.300 -0.125 0.000 1.150 327 P CA 1.331 64.386 63.100 -0.076 0.000 0.837 327 P CB 0.306 31.990 31.700 -0.026 0.000 0.786 328 E N 0.430 120.555 120.200 -0.125 0.000 2.171 328 E HA -0.198 4.151 4.350 -0.000 0.000 0.197 328 E C 1.186 177.702 176.600 -0.140 0.000 0.997 328 E CA 1.132 57.470 56.400 -0.103 0.000 0.810 328 E CB -0.032 29.636 29.700 -0.054 0.000 0.738 328 E HN 0.085 nan 8.360 nan 0.000 0.467 329 K N 0.262 120.533 120.400 -0.216 0.000 2.374 329 K HA 0.046 4.366 4.320 -0.000 0.000 0.196 329 K C -0.109 176.337 176.600 -0.257 0.000 1.023 329 K CA 0.242 56.381 56.287 -0.247 0.000 1.103 329 K CB 0.387 32.683 32.500 -0.340 0.000 0.848 329 K HN 0.207 nan 8.250 nan 0.000 0.528 330 E N 0.627 120.698 120.200 -0.214 0.000 2.539 330 E HA -0.236 4.114 4.350 -0.000 0.000 0.253 330 E C -0.571 175.892 176.600 -0.227 0.000 1.145 330 E CA 0.249 56.528 56.400 -0.202 0.000 0.738 330 E CB -1.321 28.269 29.700 -0.184 0.000 1.308 330 E HN 0.047 nan 8.360 nan 0.000 0.409 331 L N -0.073 121.003 121.223 -0.245 0.000 2.334 331 L HA 0.794 5.134 4.340 -0.000 0.000 0.276 331 L C 0.335 177.096 176.870 -0.181 0.000 1.014 331 L CA 0.308 55.009 54.840 -0.231 0.000 0.815 331 L CB 1.967 43.847 42.059 -0.300 0.000 1.268 331 L HN 0.064 nan 8.230 nan 0.000 0.428 332 G N 3.911 112.641 108.800 -0.116 0.000 2.673 332 G HA2 0.575 4.535 3.960 -0.000 0.000 0.292 332 G HA3 0.575 4.535 3.960 -0.000 0.000 0.292 332 G C -2.242 172.643 174.900 -0.026 0.000 1.450 332 G CA -0.415 44.629 45.100 -0.094 0.000 0.837 332 G HN 0.768 nan 8.290 nan 0.000 0.505 333 I N -0.059 120.501 120.570 -0.017 0.000 2.894 333 I HA 0.767 4.937 4.170 -0.000 0.000 0.302 333 I C -1.385 174.792 176.117 0.100 0.000 1.188 333 I CA -1.076 60.266 61.300 0.069 0.000 1.014 333 I CB 2.397 40.452 38.000 0.093 0.000 1.242 333 I HN 0.406 nan 8.210 nan 0.000 0.430 334 V N 7.100 127.119 119.914 0.175 0.000 2.623 334 V HA 0.476 4.596 4.120 -0.000 0.000 0.304 334 V C -0.638 175.594 176.094 0.229 0.000 1.054 334 V CA -0.418 62.002 62.300 0.201 0.000 0.882 334 V CB 1.815 33.773 31.823 0.225 0.000 1.002 334 V HN 0.649 nan 8.190 nan 0.000 0.424 335 M N 6.397 126.139 119.600 0.237 0.000 2.046 335 M HA 0.579 5.059 4.480 -0.000 0.000 0.309 335 M C -1.239 175.154 176.300 0.155 0.000 0.935 335 M CA -0.149 55.285 55.300 0.223 0.000 0.915 335 M CB 1.551 34.330 32.600 0.299 0.000 1.474 335 M HN 0.372 nan 8.290 nan 0.000 0.415 336 L N 3.146 124.352 121.223 -0.029 0.000 2.298 336 L HA 0.905 5.245 4.340 -0.000 0.000 0.284 336 L C -0.162 176.511 176.870 -0.328 0.000 1.013 336 L CA -0.599 54.067 54.840 -0.290 0.000 0.824 336 L CB 1.405 42.966 42.059 -0.830 0.000 1.221 336 L HN 0.770 nan 8.230 nan 0.000 0.418 337 A N 2.361 125.258 122.820 0.130 0.000 2.401 337 A HA 0.630 4.950 4.320 -0.000 0.000 0.310 337 A C -0.345 177.584 177.584 0.575 0.000 1.075 337 A CA -0.770 51.464 52.037 0.328 0.000 0.746 337 A CB 1.147 20.301 19.000 0.258 0.000 1.277 337 A HN 0.754 nan 8.150 nan 0.000 0.425 338 N N 1.369 120.355 118.700 0.478 0.000 2.920 338 N HA 0.237 4.977 4.740 -0.000 0.000 0.310 338 N C -0.673 174.832 175.510 -0.009 0.000 1.384 338 N CA -0.189 52.878 53.050 0.029 0.000 1.083 338 N CB 0.430 38.884 38.487 -0.055 0.000 1.389 338 N HN 0.467 nan 8.380 nan 0.000 0.521 339 K N 0.664 121.153 120.400 0.148 0.000 2.575 339 K HA 0.140 4.459 4.320 -0.000 0.000 0.255 339 K C -1.744 175.059 176.600 0.338 0.000 0.953 339 K CA -0.541 55.856 56.287 0.184 0.000 0.840 339 K CB 1.403 33.991 32.500 0.146 0.000 1.303 339 K HN 0.223 nan 8.250 nan 0.000 0.438 340 N N 4.128 122.982 118.700 0.256 0.000 2.402 340 N HA 0.088 4.828 4.740 -0.000 0.000 0.252 340 N C -1.161 174.499 175.510 0.250 0.000 1.118 340 N CA 0.173 53.363 53.050 0.233 0.000 0.945 340 N CB -0.059 38.518 38.487 0.149 0.000 1.147 340 N HN 0.387 nan 8.380 nan 0.000 0.495 341 Y N 1.492 121.834 120.300 0.070 0.000 2.587 341 Y HA 0.741 5.291 4.550 -0.000 0.000 0.337 341 Y C -2.650 173.270 175.900 0.033 0.000 1.065 341 Y CA -3.520 54.606 58.100 0.044 0.000 1.126 341 Y CB -0.602 37.879 38.460 0.034 0.000 1.279 341 Y HN 0.312 nan 8.280 nan 0.000 0.489 342 P HA -0.012 nan 4.420 nan 0.000 0.258 342 P C 0.186 177.357 177.300 -0.214 0.000 1.172 342 P CA 0.564 63.612 63.100 -0.086 0.000 0.762 342 P CB 0.580 32.281 31.700 0.002 0.000 0.764 343 N N 5.080 123.660 118.700 -0.200 0.000 2.137 343 N HA -0.149 4.591 4.740 -0.000 0.000 0.190 343 N C -0.866 174.530 175.510 -0.190 0.000 1.017 343 N CA 1.729 54.645 53.050 -0.224 0.000 0.859 343 N CB -1.631 36.772 38.487 -0.140 0.000 1.002 343 N HN 0.461 nan 8.380 nan 0.000 0.428 344 P HA -0.009 nan 4.420 nan 0.000 0.218 344 P C 0.988 178.259 177.300 -0.049 0.000 1.149 344 P CA 1.266 64.322 63.100 -0.074 0.000 0.817 344 P CB -0.028 31.645 31.700 -0.045 0.000 0.785 345 A N -0.112 122.693 122.820 -0.025 0.000 1.969 345 A HA -0.175 4.145 4.320 -0.000 0.000 0.218 345 A C 2.180 179.806 177.584 0.070 0.000 1.169 345 A CA 1.214 53.284 52.037 0.055 0.000 0.635 345 A CB -0.844 18.242 19.000 0.143 0.000 0.810 345 A HN 0.098 nan 8.150 nan 0.000 0.445 346 R N -0.613 119.857 120.500 -0.050 0.000 2.057 346 R HA -0.048 4.292 4.340 -0.000 0.000 0.229 346 R C 2.002 178.222 176.300 -0.132 0.000 1.136 346 R CA 1.458 57.511 56.100 -0.078 0.000 0.952 346 R CB -0.713 29.396 30.300 -0.318 0.000 0.848 346 R HN 0.346 nan 8.270 nan 0.000 0.430 347 V N 1.834 121.572 119.914 -0.293 0.000 2.407 347 V HA -0.262 3.858 4.120 -0.000 0.000 0.248 347 V C 1.945 178.159 176.094 0.199 0.000 1.055 347 V CA 2.230 64.472 62.300 -0.097 0.000 1.049 347 V CB -0.633 31.152 31.823 -0.065 0.000 0.662 347 V HN 0.367 nan 8.190 nan 0.000 0.455 348 D N 0.338 120.813 120.400 0.125 0.000 2.117 348 D HA -0.133 4.507 4.640 -0.000 0.000 0.198 348 D C 2.102 178.565 176.300 0.273 0.000 0.982 348 D CA 1.437 55.553 54.000 0.194 0.000 0.828 348 D CB -0.142 40.717 40.800 0.099 0.000 0.967 348 D HN 0.365 nan 8.370 nan 0.000 0.464 349 A N 0.676 123.618 122.820 0.204 0.000 1.858 349 A HA 0.023 4.343 4.320 -0.000 0.000 0.216 349 A C 2.449 180.177 177.584 0.240 0.000 1.190 349 A CA 2.285 54.433 52.037 0.186 0.000 0.617 349 A CB -1.334 17.754 19.000 0.146 0.000 0.827 349 A HN 0.351 nan 8.150 nan 0.000 0.443 350 A N -1.046 121.978 122.820 0.339 0.000 1.908 350 A HA -0.213 4.106 4.320 -0.000 0.000 0.218 350 A C 2.112 179.988 177.584 0.486 0.000 1.181 350 A CA 1.554 53.856 52.037 0.441 0.000 0.627 350 A CB -1.019 18.418 19.000 0.728 0.000 0.818 350 A HN 0.916 nan 8.150 nan 0.000 0.445 351 W N 0.689 122.232 121.300 0.405 0.000 2.335 351 W HA -0.237 4.423 4.660 -0.000 0.000 0.311 351 W C 1.946 178.615 176.519 0.249 0.000 1.213 351 W CA 2.100 59.643 57.345 0.330 0.000 1.274 351 W CB -0.590 28.930 29.460 0.099 0.000 1.148 351 W HN 0.508 nan 8.180 nan 0.000 0.498 352 Q N 0.285 120.083 119.800 -0.004 0.000 2.096 352 Q HA -0.229 4.111 4.340 -0.000 0.000 0.204 352 Q C 2.322 178.251 176.000 -0.118 0.000 0.982 352 Q CA 2.367 58.115 55.803 -0.090 0.000 0.850 352 Q CB -0.361 28.434 28.738 0.095 0.000 0.901 352 Q HN 0.417 nan 8.270 nan 0.000 0.422 353 I N 0.264 120.822 120.570 -0.021 0.000 2.202 353 I HA -0.276 3.894 4.170 -0.000 0.000 0.242 353 I C 2.145 178.232 176.117 -0.050 0.000 1.091 353 I CA 0.952 62.242 61.300 -0.018 0.000 1.368 353 I CB -0.230 37.785 38.000 0.026 0.000 1.058 353 I HN 0.200 nan 8.210 nan 0.000 0.410 354 L N 0.388 121.583 121.223 -0.048 0.000 2.141 354 L HA -0.184 4.156 4.340 -0.000 0.000 0.209 354 L C 2.247 179.017 176.870 -0.166 0.000 1.094 354 L CA 1.333 56.120 54.840 -0.088 0.000 0.763 354 L CB -0.780 41.252 42.059 -0.046 0.000 0.908 354 L HN 0.451 nan 8.230 nan 0.000 0.437 355 N N 0.341 118.845 118.700 -0.326 0.000 2.494 355 N HA -0.066 4.674 4.740 -0.000 0.000 0.182 355 N C 1.607 177.025 175.510 -0.153 0.000 1.076 355 N CA 0.750 53.600 53.050 -0.334 0.000 0.908 355 N CB 0.409 38.336 38.487 -0.934 0.000 0.967 355 N HN 0.259 nan 8.380 nan 0.000 0.449 356 A N 0.378 123.126 122.820 -0.120 0.000 2.081 356 A HA 0.149 4.469 4.320 -0.000 0.000 0.214 356 A C 1.546 179.130 177.584 0.000 0.000 1.158 356 A CA 0.209 52.221 52.037 -0.042 0.000 0.724 356 A CB 0.020 19.001 19.000 -0.032 0.000 0.826 356 A HN 0.274 nan 8.150 nan 0.000 0.463 357 L N -0.151 121.075 121.223 0.004 0.000 2.848 357 L HA 0.467 4.806 4.340 -0.000 0.000 0.240 357 L C 0.801 177.675 176.870 0.007 0.000 1.232 357 L CA 0.328 55.211 54.840 0.073 0.000 1.031 357 L CB -1.052 41.109 42.059 0.170 0.000 1.338 357 L HN 0.637 nan 8.230 nan 0.000 0.509 358 Q N 0.000 119.803 119.800 0.004 0.000 2.315 358 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 358 Q CA 0.000 55.817 55.803 0.023 0.000 1.022 358 Q CB 0.000 28.721 28.738 -0.028 0.000 1.108 358 Q HN 0.000 nan 8.270 nan 0.000 0.481