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 2bls_1_B DATA FIRST_RESID 4 DATA SEQUENCE APQQINDIVH RTITPLIEQQ KIPGMAVAVI YQGKPYYFTW GYADIAKKQP DATA SEQUENCE VTQQTLFELG SVSKTFTGVL GGDAIARGEI KLSDPTTKYW PELTAKQWNG DATA SEQUENCE ITLLHLATYT AGGLPLQVPD EVKSSSDLLR FYQNWQPAWA PGTQRLYANS DATA SEQUENCE SIGLFGALAV KPSGLSFEQA MQTRVFQPLK LNHTWINVPP AEEKNYAWGY DATA SEQUENCE REGKAVHVSP GALDAEAYGV KSTIEDMARW VQSNLKPLDI NEKTLQQGIQ DATA SEQUENCE LAQSRYWQTG DMYQGLGWEM LDWPVNPDSI INGSDNKIAL AARPVKAITP DATA SEQUENCE PTPAVRASWV HKTGATGGFG SYVAFIPEKE LGIVMLANKN YPNPARVDAA DATA SEQUENCE WQILNAL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 4 A HA 0.000 nan 4.320 nan 0.000 0.244 4 A C 0.000 177.435 177.584 -0.248 0.000 1.274 4 A CA 0.000 51.934 52.037 -0.172 0.000 0.836 4 A CB 0.000 18.918 19.000 -0.137 0.000 0.831 5 P HA 0.025 nan 4.420 nan 0.000 0.264 5 P C 1.006 178.177 177.300 -0.214 0.000 1.179 5 P CA 0.278 63.215 63.100 -0.272 0.000 0.763 5 P CB 0.495 31.988 31.700 -0.345 0.000 0.806 6 Q N 1.950 121.677 119.800 -0.121 0.000 2.029 6 Q HA -0.260 4.080 4.340 0.000 0.000 0.209 6 Q C 1.431 177.390 176.000 -0.070 0.000 0.999 6 Q CA 1.278 57.042 55.803 -0.065 0.000 0.857 6 Q CB -0.542 28.171 28.738 -0.042 0.000 0.926 6 Q HN 0.571 nan 8.270 nan 0.000 0.415 7 Q N 1.072 120.804 119.800 -0.113 0.000 2.294 7 Q HA -0.050 4.290 4.340 0.000 0.000 0.207 7 Q C 0.874 176.775 176.000 -0.166 0.000 0.887 7 Q CA 0.337 56.071 55.803 -0.115 0.000 0.987 7 Q CB 0.024 28.700 28.738 -0.103 0.000 1.101 7 Q HN 0.564 nan 8.270 nan 0.000 0.447 8 I N -4.148 116.334 120.570 -0.147 0.000 4.046 8 I HA 0.150 4.320 4.170 0.000 0.000 0.285 8 I C 1.245 177.368 176.117 0.010 0.000 1.183 8 I CA 0.097 61.314 61.300 -0.138 0.000 1.337 8 I CB -0.240 37.592 38.000 -0.280 0.000 1.478 8 I HN -0.119 nan 8.210 nan 0.000 0.452 9 N N 1.883 120.665 118.700 0.137 0.000 2.166 9 N HA -0.181 4.559 4.740 0.000 0.000 0.186 9 N C 1.207 176.859 175.510 0.237 0.000 1.019 9 N CA 1.845 55.111 53.050 0.359 0.000 0.856 9 N CB -0.361 38.326 38.487 0.333 0.000 0.993 9 N HN 0.534 nan 8.380 nan 0.000 0.426 10 D N 1.782 122.242 120.400 0.099 0.000 2.081 10 D HA -0.121 4.520 4.640 0.000 0.000 0.194 10 D C 2.172 178.493 176.300 0.035 0.000 0.986 10 D CA 0.909 54.954 54.000 0.075 0.000 0.837 10 D CB -0.183 40.631 40.800 0.023 0.000 0.985 10 D HN 0.219 nan 8.370 nan 0.000 0.448 11 I N 0.381 120.933 120.570 -0.029 0.000 2.248 11 I HA -0.204 3.966 4.170 0.000 0.000 0.248 11 I C 2.291 178.347 176.117 -0.102 0.000 1.107 11 I CA 1.082 62.349 61.300 -0.056 0.000 1.373 11 I CB -1.491 36.467 38.000 -0.070 0.000 1.055 11 I HN -0.126 nan 8.210 nan 0.000 0.418 12 V N 2.176 121.965 119.914 -0.208 0.000 2.233 12 V HA -0.313 3.807 4.120 0.000 0.000 0.247 12 V C 2.658 178.609 176.094 -0.238 0.000 1.050 12 V CA 2.615 64.680 62.300 -0.391 0.000 1.010 12 V CB -1.560 29.614 31.823 -1.081 0.000 0.637 12 V HN 0.431 nan 8.190 nan 0.000 0.444 13 H N -0.247 118.852 119.070 0.047 0.000 2.319 13 H HA -0.143 4.413 4.556 0.000 0.000 0.299 13 H C 2.511 177.881 175.328 0.069 0.000 1.092 13 H CA 2.035 58.178 56.048 0.159 0.000 1.302 13 H CB -0.222 29.656 29.762 0.194 0.000 1.373 13 H HN 0.208 nan 8.280 nan 0.000 0.497 14 R N -0.270 120.304 120.500 0.122 0.000 2.113 14 R HA -0.176 4.164 4.340 0.000 0.000 0.244 14 R C 1.859 178.168 176.300 0.015 0.000 1.142 14 R CA 2.355 58.491 56.100 0.060 0.000 0.953 14 R CB -0.181 30.139 30.300 0.032 0.000 0.860 14 R HN 0.395 nan 8.270 nan 0.000 0.438 15 T N 0.097 114.637 114.554 -0.024 0.000 2.901 15 T HA 0.054 4.405 4.350 0.000 0.000 0.252 15 T C 1.725 176.362 174.700 -0.104 0.000 1.035 15 T CA 0.549 62.620 62.100 -0.048 0.000 1.142 15 T CB 0.084 68.927 68.868 -0.041 0.000 0.869 15 T HN 0.027 nan 8.240 nan 0.000 0.442 16 I N 2.233 122.696 120.570 -0.178 0.000 2.277 16 I HA -0.053 4.117 4.170 0.000 0.000 0.243 16 I C 2.664 178.520 176.117 -0.436 0.000 1.094 16 I CA 1.246 62.325 61.300 -0.369 0.000 1.393 16 I CB -1.897 35.736 38.000 -0.612 0.000 1.078 16 I HN 0.242 nan 8.210 nan 0.000 0.417 17 T N 2.308 116.690 114.554 -0.285 0.000 2.685 17 T HA -0.126 4.224 4.350 0.000 0.000 0.268 17 T C -0.439 174.163 174.700 -0.164 0.000 1.034 17 T CA 1.731 63.722 62.100 -0.183 0.000 1.149 17 T CB -1.561 67.385 68.868 0.129 0.000 0.860 17 T HN 0.250 nan 8.240 nan 0.000 0.449 18 P HA 0.051 nan 4.420 nan 0.000 0.217 18 P C 1.747 178.963 177.300 -0.139 0.000 1.154 18 P CA 0.359 63.402 63.100 -0.094 0.000 0.841 18 P CB -0.253 31.415 31.700 -0.053 0.000 0.788 19 L N 0.054 121.168 121.223 -0.181 0.000 2.043 19 L HA -0.172 4.168 4.340 0.000 0.000 0.212 19 L C 2.126 178.822 176.870 -0.290 0.000 1.075 19 L CA 1.884 56.592 54.840 -0.219 0.000 0.752 19 L CB -1.496 40.425 42.059 -0.230 0.000 0.891 19 L HN -0.123 nan 8.230 nan 0.000 0.432 20 I N -0.742 119.634 120.570 -0.323 0.000 2.226 20 I HA -0.212 3.958 4.170 0.000 0.000 0.245 20 I C 2.418 178.415 176.117 -0.200 0.000 1.100 20 I CA 0.984 62.098 61.300 -0.310 0.000 1.374 20 I CB -0.674 37.105 38.000 -0.369 0.000 1.057 20 I HN 0.276 nan 8.210 nan 0.000 0.413 21 E N 0.863 120.972 120.200 -0.151 0.000 2.051 21 E HA -0.244 4.106 4.350 0.000 0.000 0.192 21 E C 2.075 178.622 176.600 -0.087 0.000 0.991 21 E CA 1.168 57.513 56.400 -0.090 0.000 0.799 21 E CB -0.476 29.189 29.700 -0.058 0.000 0.748 21 E HN 0.477 nan 8.360 nan 0.000 0.449 22 Q N 0.057 119.798 119.800 -0.099 0.000 2.077 22 Q HA -0.184 4.156 4.340 0.000 0.000 0.206 22 Q C 1.933 177.879 176.000 -0.090 0.000 0.989 22 Q CA 1.655 57.408 55.803 -0.084 0.000 0.853 22 Q CB 0.125 28.811 28.738 -0.087 0.000 0.907 22 Q HN 0.205 nan 8.270 nan 0.000 0.418 23 Q N -0.386 119.323 119.800 -0.152 0.000 2.408 23 Q HA 0.050 4.390 4.340 0.000 0.000 0.205 23 Q C -0.129 175.815 176.000 -0.093 0.000 0.919 23 Q CA 0.285 56.004 55.803 -0.139 0.000 0.932 23 Q CB 0.669 29.206 28.738 -0.336 0.000 1.058 23 Q HN 0.279 nan 8.270 nan 0.000 0.517 24 K N 0.668 121.009 120.400 -0.099 0.000 3.181 24 K HA -0.146 4.174 4.320 0.000 0.000 0.269 24 K C -0.814 175.751 176.600 -0.058 0.000 1.097 24 K CA 0.045 56.294 56.287 -0.065 0.000 0.783 24 K CB -1.674 30.804 32.500 -0.037 0.000 1.267 24 K HN 0.213 nan 8.250 nan 0.000 0.484 25 I N 1.216 121.732 120.570 -0.090 0.000 2.396 25 I HA 0.040 4.210 4.170 0.000 0.000 0.289 25 I C -0.850 175.283 176.117 0.026 0.000 1.056 25 I CA -2.031 59.251 61.300 -0.029 0.000 1.365 25 I CB 0.856 38.791 38.000 -0.109 0.000 1.407 25 I HN 0.043 nan 8.210 nan 0.000 0.509 26 P HA -0.019 nan 4.420 nan 0.000 0.217 26 P C 0.426 177.848 177.300 0.204 0.000 1.150 26 P CA 0.697 63.842 63.100 0.076 0.000 0.832 26 P CB 0.255 31.877 31.700 -0.130 0.000 0.787 27 G N -1.362 107.606 108.800 0.279 0.000 2.733 27 G HA2 0.665 4.625 3.960 0.000 0.000 0.297 27 G HA3 0.665 4.625 3.960 0.000 0.000 0.297 27 G C -1.838 173.335 174.900 0.454 0.000 1.422 27 G CA -0.390 44.930 45.100 0.367 0.000 0.942 27 G HN 0.093 nan 8.290 nan 0.000 0.510 28 M N 1.021 120.909 119.600 0.479 0.000 2.622 28 M HA 0.798 5.279 4.480 0.000 0.000 0.276 28 M C -1.510 175.105 176.300 0.525 0.000 1.265 28 M CA -0.644 54.904 55.300 0.413 0.000 0.850 28 M CB 2.448 35.183 32.600 0.226 0.000 1.720 28 M HN 1.157 nan 8.290 nan 0.000 0.465 29 A N 2.182 125.201 122.820 0.331 0.000 2.455 29 A HA 0.818 5.138 4.320 0.000 0.000 0.300 29 A C -1.914 175.888 177.584 0.363 0.000 1.040 29 A CA -0.594 51.666 52.037 0.371 0.000 0.697 29 A CB 1.737 20.894 19.000 0.262 0.000 1.265 29 A HN 0.626 nan 8.150 nan 0.000 0.407 30 V N 0.584 120.803 119.914 0.508 0.000 2.876 30 V HA 0.895 5.015 4.120 0.000 0.000 0.312 30 V C 0.077 176.457 176.094 0.477 0.000 1.085 30 V CA -0.123 62.451 62.300 0.456 0.000 0.945 30 V CB 2.015 34.139 31.823 0.500 0.000 1.017 30 V HN 1.617 nan 8.190 nan 0.000 0.428 31 A N 3.041 126.071 122.820 0.350 0.000 2.422 31 A HA 0.906 5.226 4.320 0.000 0.000 0.302 31 A C -1.398 176.302 177.584 0.193 0.000 1.041 31 A CA -0.535 51.655 52.037 0.255 0.000 0.708 31 A CB 1.966 21.080 19.000 0.189 0.000 1.257 31 A HN 0.684 nan 8.150 nan 0.000 0.414 32 V N 2.741 122.774 119.914 0.199 0.000 2.540 32 V HA 0.438 4.559 4.120 0.000 0.000 0.302 32 V C -1.030 175.174 176.094 0.185 0.000 1.035 32 V CA -0.391 62.029 62.300 0.201 0.000 0.873 32 V CB 1.581 33.555 31.823 0.253 0.000 0.992 32 V HN 0.707 nan 8.190 nan 0.000 0.428 33 I N 5.243 125.886 120.570 0.122 0.000 2.307 33 I HA 0.380 4.550 4.170 0.000 0.000 0.289 33 I C -0.698 175.512 176.117 0.156 0.000 1.021 33 I CA -0.475 60.871 61.300 0.076 0.000 1.224 33 I CB 0.677 38.654 38.000 -0.039 0.000 1.376 33 I HN 0.578 nan 8.210 nan 0.000 0.470 34 Y N 4.959 125.330 120.300 0.118 0.000 2.341 34 Y HA 0.330 4.881 4.550 0.000 0.000 0.338 34 Y C 0.796 176.740 175.900 0.074 0.000 0.965 34 Y CA -0.716 57.454 58.100 0.116 0.000 1.108 34 Y CB 1.105 39.687 38.460 0.203 0.000 1.180 34 Y HN 0.645 nan 8.280 nan 0.000 0.458 35 Q N 4.464 123.914 119.800 -0.583 0.000 2.408 35 Q HA -0.325 4.015 4.340 0.000 0.000 0.290 35 Q C 1.056 176.965 176.000 -0.152 0.000 1.221 35 Q CA 1.367 56.935 55.803 -0.392 0.000 0.895 35 Q CB -1.256 27.244 28.738 -0.397 0.000 1.241 35 Q HN 1.311 nan 8.270 nan 0.000 0.494 36 G N -0.414 108.307 108.800 -0.131 0.000 2.420 36 G HA2 -0.378 3.582 3.960 0.000 0.000 0.221 36 G HA3 -0.378 3.582 3.960 0.000 0.000 0.221 36 G C 0.085 174.930 174.900 -0.091 0.000 1.117 36 G CA 0.358 45.395 45.100 -0.106 0.000 0.657 36 G HN 0.443 nan 8.290 nan 0.000 0.512 37 K N 3.042 123.405 120.400 -0.061 0.000 2.154 37 K HA 0.643 4.963 4.320 0.000 0.000 0.264 37 K C -2.558 173.845 176.600 -0.328 0.000 1.008 37 K CA -1.635 54.541 56.287 -0.185 0.000 0.937 37 K CB 1.716 34.096 32.500 -0.200 0.000 1.002 37 K HN 0.233 nan 8.250 nan 0.000 0.469 38 P HA 0.264 nan 4.420 nan 0.000 0.293 38 P C -1.617 175.049 177.300 -1.056 0.000 1.291 38 P CA -0.527 62.219 63.100 -0.589 0.000 0.867 38 P CB 0.663 32.087 31.700 -0.460 0.000 1.074 39 Y N 0.456 120.461 120.300 -0.492 0.000 2.361 39 Y HA 0.418 4.968 4.550 0.000 0.000 0.328 39 Y C -0.343 175.262 175.900 -0.493 0.000 1.044 39 Y CA -0.721 57.107 58.100 -0.453 0.000 1.085 39 Y CB 1.412 39.792 38.460 -0.134 0.000 1.194 39 Y HN 0.244 nan 8.280 nan 0.000 0.438 40 Y N 2.674 122.930 120.300 -0.074 0.000 2.361 40 Y HA 0.695 5.245 4.550 0.000 0.000 0.332 40 Y C -0.799 174.855 175.900 -0.410 0.000 1.101 40 Y CA -1.427 56.637 58.100 -0.060 0.000 1.137 40 Y CB 1.020 39.456 38.460 -0.041 0.000 1.207 40 Y HN 0.393 nan 8.280 nan 0.000 0.463 41 F N 0.137 120.154 119.950 0.110 0.000 2.569 41 F HA 0.609 5.136 4.527 0.000 0.000 0.312 41 F C -0.047 175.611 175.800 -0.236 0.000 1.109 41 F CA -0.820 57.056 58.000 -0.208 0.000 0.919 41 F CB 2.446 41.254 39.000 -0.320 0.000 1.211 41 F HN 0.288 nan 8.300 nan 0.000 0.446 42 T N 2.447 116.792 114.554 -0.349 0.000 2.906 42 T HA 0.624 4.974 4.350 0.000 0.000 0.295 42 T C -1.739 172.774 174.700 -0.311 0.000 1.061 42 T CA -0.600 61.435 62.100 -0.108 0.000 1.000 42 T CB 1.459 70.324 68.868 -0.005 0.000 1.103 42 T HN 0.497 nan 8.240 nan 0.000 0.486 43 W N 0.625 122.018 121.300 0.156 0.000 3.275 43 W HA 0.428 5.088 4.660 0.000 0.000 0.306 43 W C 0.657 177.202 176.519 0.043 0.000 1.259 43 W CA -0.492 56.910 57.345 0.095 0.000 1.194 43 W CB 0.960 30.481 29.460 0.103 0.000 1.375 43 W HN 1.145 nan 8.180 nan 0.000 0.564 44 G N 1.251 110.142 108.800 0.151 0.000 2.578 44 G HA2 -0.305 3.655 3.960 0.000 0.000 0.284 44 G HA3 -0.305 3.655 3.960 0.000 0.000 0.284 44 G C -1.215 173.578 174.900 -0.177 0.000 1.283 44 G CA 0.470 45.498 45.100 -0.121 0.000 0.944 44 G HN 0.517 nan 8.290 nan 0.000 0.558 45 Y N -0.883 119.515 120.300 0.163 0.000 2.567 45 Y HA 0.659 5.209 4.550 0.000 0.000 0.333 45 Y C 1.315 177.333 175.900 0.196 0.000 1.106 45 Y CA -0.176 58.015 58.100 0.153 0.000 1.157 45 Y CB 1.698 40.219 38.460 0.102 0.000 1.277 45 Y HN 0.750 nan 8.280 nan 0.000 0.490 46 A N -0.295 122.754 122.820 0.381 0.000 1.993 46 A HA 0.111 4.431 4.320 0.000 0.000 0.207 46 A C -0.104 177.686 177.584 0.343 0.000 1.224 46 A CA 0.775 52.976 52.037 0.273 0.000 0.749 46 A CB 0.252 19.345 19.000 0.155 0.000 0.884 46 A HN 0.639 nan 8.150 nan 0.000 0.467 47 D N -0.543 120.054 120.400 0.329 0.000 2.421 47 D HA 0.433 5.073 4.640 0.000 0.000 0.254 47 D C 0.627 176.992 176.300 0.108 0.000 1.238 47 D CA -0.388 53.792 54.000 0.300 0.000 0.919 47 D CB 0.773 41.753 40.800 0.300 0.000 1.152 47 D HN 0.161 nan 8.370 nan 0.000 0.552 48 I N 2.281 122.868 120.570 0.028 0.000 2.090 48 I HA -0.265 3.905 4.170 0.000 0.000 0.236 48 I C 2.531 178.462 176.117 -0.311 0.000 1.064 48 I CA 1.426 62.545 61.300 -0.301 0.000 1.324 48 I CB -0.158 37.643 38.000 -0.332 0.000 1.044 48 I HN 0.473 nan 8.210 nan 0.000 0.399 49 A N 0.586 123.304 122.820 -0.170 0.000 1.927 49 A HA -0.297 4.023 4.320 0.000 0.000 0.220 49 A C 2.226 179.742 177.584 -0.114 0.000 1.185 49 A CA 2.258 54.210 52.037 -0.141 0.000 0.639 49 A CB -0.596 18.334 19.000 -0.117 0.000 0.820 49 A HN 0.390 nan 8.150 nan 0.000 0.451 50 K N -1.597 118.761 120.400 -0.070 0.000 2.400 50 K HA 0.116 4.436 4.320 0.000 0.000 0.194 50 K C -0.147 176.439 176.600 -0.023 0.000 1.033 50 K CA 0.404 56.681 56.287 -0.016 0.000 1.021 50 K CB 0.193 32.722 32.500 0.050 0.000 0.808 50 K HN 0.409 nan 8.250 nan 0.000 0.505 51 K N 1.520 121.839 120.400 -0.135 0.000 3.162 51 K HA -0.155 4.165 4.320 0.000 0.000 0.268 51 K C -1.114 175.613 176.600 0.212 0.000 1.062 51 K CA 0.433 56.632 56.287 -0.147 0.000 0.769 51 K CB -1.070 31.406 32.500 -0.041 0.000 1.274 51 K HN 0.108 nan 8.250 nan 0.000 0.478 52 Q N 0.376 120.324 119.800 0.246 0.000 2.303 52 Q HA 0.290 4.630 4.340 0.000 0.000 0.257 52 Q C -2.289 173.922 176.000 0.353 0.000 0.941 52 Q CA -2.179 53.784 55.803 0.268 0.000 0.931 52 Q CB 1.227 30.075 28.738 0.183 0.000 1.215 52 Q HN 0.079 nan 8.270 nan 0.000 0.437 53 P HA 0.076 nan 4.420 nan 0.000 0.275 53 P C -0.136 177.253 177.300 0.149 0.000 1.228 53 P CA -0.335 62.854 63.100 0.148 0.000 0.786 53 P CB 0.814 32.556 31.700 0.070 0.000 0.927 54 V N 2.952 122.963 119.914 0.162 0.000 2.572 54 V HA 0.230 4.350 4.120 0.000 0.000 0.291 54 V C 1.295 177.485 176.094 0.159 0.000 1.039 54 V CA 0.618 63.045 62.300 0.212 0.000 1.055 54 V CB 0.238 32.255 31.823 0.325 0.000 0.969 54 V HN 0.849 nan 8.190 nan 0.000 0.482 55 T N 1.627 116.267 114.554 0.142 0.000 2.858 55 T HA 0.401 4.751 4.350 0.000 0.000 0.285 55 T C 0.443 175.201 174.700 0.097 0.000 1.052 55 T CA -0.509 61.641 62.100 0.084 0.000 1.009 55 T CB 1.856 70.745 68.868 0.035 0.000 1.241 55 T HN 0.637 nan 8.240 nan 0.000 0.542 56 Q N -0.456 119.352 119.800 0.014 0.000 2.373 56 Q HA 0.216 4.556 4.340 0.000 0.000 0.206 56 Q C 1.113 177.074 176.000 -0.065 0.000 0.942 56 Q CA 0.428 56.209 55.803 -0.036 0.000 0.953 56 Q CB -0.177 28.442 28.738 -0.198 0.000 1.022 56 Q HN 0.681 nan 8.270 nan 0.000 0.502 57 Q N 0.313 120.085 119.800 -0.046 0.000 2.179 57 Q HA 0.180 4.520 4.340 0.000 0.000 0.213 57 Q C -0.621 175.361 176.000 -0.030 0.000 0.833 57 Q CA -0.036 55.702 55.803 -0.108 0.000 0.990 57 Q CB 1.449 30.078 28.738 -0.182 0.000 1.132 57 Q HN 0.174 nan 8.270 nan 0.000 0.493 58 T N 0.943 115.539 114.554 0.070 0.000 2.794 58 T HA 0.314 4.664 4.350 0.000 0.000 0.296 58 T C -0.225 174.550 174.700 0.125 0.000 0.949 58 T CA -0.151 61.998 62.100 0.082 0.000 1.101 58 T CB 0.416 69.351 68.868 0.111 0.000 0.905 58 T HN 0.162 nan 8.240 nan 0.000 0.516 59 L N 4.202 125.460 121.223 0.059 0.000 2.305 59 L HA 0.494 4.834 4.340 0.000 0.000 0.281 59 L C -0.623 176.293 176.870 0.076 0.000 1.085 59 L CA -0.396 54.512 54.840 0.114 0.000 0.813 59 L CB 0.417 42.508 42.059 0.053 0.000 1.157 59 L HN 0.548 nan 8.230 nan 0.000 0.436 60 F N 0.629 120.690 119.950 0.185 0.000 2.532 60 F HA 0.302 4.829 4.527 0.000 0.000 0.321 60 F C 0.302 176.026 175.800 -0.126 0.000 1.089 60 F CA -0.903 57.208 58.000 0.185 0.000 0.926 60 F CB 1.550 40.730 39.000 0.299 0.000 1.168 60 F HN 0.399 nan 8.300 nan 0.000 0.459 61 E N 4.352 124.243 120.200 -0.515 0.000 2.238 61 E HA 0.055 4.406 4.350 0.000 0.000 0.264 61 E C 0.603 177.145 176.600 -0.097 0.000 1.136 61 E CA 0.061 56.185 56.400 -0.461 0.000 0.929 61 E CB 0.383 29.605 29.700 -0.798 0.000 1.010 61 E HN 0.623 nan 8.360 nan 0.000 0.440 62 L N 2.787 124.036 121.223 0.043 0.000 2.551 62 L HA -0.013 4.327 4.340 0.000 0.000 0.228 62 L C 1.478 178.449 176.870 0.168 0.000 1.153 62 L CA 0.352 55.277 54.840 0.143 0.000 0.851 62 L CB -1.273 40.887 42.059 0.169 0.000 0.959 62 L HN 0.808 nan 8.230 nan 0.000 0.451 63 G N 0.972 109.865 108.800 0.155 0.000 2.578 63 G HA2 -0.405 3.555 3.960 0.000 0.000 0.313 63 G HA3 -0.405 3.555 3.960 0.000 0.000 0.313 63 G C 0.932 175.980 174.900 0.246 0.000 1.324 63 G CA 0.558 45.782 45.100 0.208 0.000 0.955 63 G HN 0.326 nan 8.290 nan 0.000 0.541 64 S N -0.766 115.084 115.700 0.250 0.000 2.478 64 S HA -0.169 4.301 4.470 0.000 0.000 0.256 64 S C 2.238 176.976 174.600 0.229 0.000 1.003 64 S CA 1.589 59.952 58.200 0.272 0.000 0.976 64 S CB -0.330 63.060 63.200 0.316 0.000 0.751 64 S HN 0.882 nan 8.310 nan 0.000 0.513 65 V N 1.458 121.499 119.914 0.211 0.000 2.626 65 V HA -0.162 3.958 4.120 0.000 0.000 0.252 65 V C 2.364 178.575 176.094 0.195 0.000 1.067 65 V CA 1.567 63.976 62.300 0.183 0.000 1.081 65 V CB -0.940 31.008 31.823 0.208 0.000 0.686 65 V HN 0.492 nan 8.190 nan 0.000 0.468 66 S N -0.127 115.734 115.700 0.270 0.000 2.393 66 S HA -0.349 4.121 4.470 0.000 0.000 0.234 66 S C 1.925 176.701 174.600 0.294 0.000 1.064 66 S CA 1.885 60.290 58.200 0.341 0.000 1.088 66 S CB -0.393 62.939 63.200 0.219 0.000 0.939 66 S HN 0.612 nan 8.310 nan 0.000 0.448 67 K N 0.412 120.922 120.400 0.183 0.000 2.293 67 K HA -0.165 4.155 4.320 0.000 0.000 0.204 67 K C 2.293 178.888 176.600 -0.009 0.000 1.045 67 K CA 1.649 58.007 56.287 0.119 0.000 0.933 67 K CB -0.580 32.006 32.500 0.143 0.000 0.736 67 K HN 0.716 nan 8.250 nan 0.000 0.463 68 T N -1.803 112.651 114.554 -0.167 0.000 2.942 68 T HA -0.049 4.301 4.350 0.000 0.000 0.265 68 T C 1.739 176.353 174.700 -0.144 0.000 1.062 68 T CA 0.492 62.273 62.100 -0.533 0.000 1.139 68 T CB -0.279 67.815 68.868 -1.290 0.000 0.883 68 T HN -0.013 nan 8.240 nan 0.000 0.468 69 F N 2.344 122.315 119.950 0.035 0.000 2.113 69 F HA 0.045 4.572 4.527 0.000 0.000 0.297 69 F C 3.012 178.864 175.800 0.086 0.000 1.103 69 F CA 1.264 59.245 58.000 -0.033 0.000 1.248 69 F CB -1.306 37.585 39.000 -0.182 0.000 0.999 69 F HN 0.100 nan 8.300 nan 0.000 0.475 70 T N -0.337 114.416 114.554 0.332 0.000 2.699 70 T HA -0.212 4.138 4.350 0.000 0.000 0.268 70 T C 2.303 177.171 174.700 0.279 0.000 1.036 70 T CA 1.569 63.866 62.100 0.327 0.000 1.147 70 T CB -1.092 67.944 68.868 0.280 0.000 0.862 70 T HN 0.460 nan 8.240 nan 0.000 0.446 71 G N 0.708 109.634 108.800 0.211 0.000 2.433 71 G HA2 -0.162 3.798 3.960 0.000 0.000 0.216 71 G HA3 -0.162 3.798 3.960 0.000 0.000 0.216 71 G C 1.717 176.770 174.900 0.254 0.000 1.186 71 G CA 0.889 46.115 45.100 0.209 0.000 0.779 71 G HN 0.444 nan 8.290 nan 0.000 0.543 72 V N 0.719 120.802 119.914 0.280 0.000 2.307 72 V HA -0.116 4.004 4.120 0.000 0.000 0.245 72 V C 2.700 178.927 176.094 0.222 0.000 1.045 72 V CA 1.558 64.047 62.300 0.315 0.000 1.024 72 V CB -0.481 31.647 31.823 0.508 0.000 0.651 72 V HN 0.328 nan 8.190 nan 0.000 0.449 73 L N 1.305 122.636 121.223 0.179 0.000 2.081 73 L HA -0.111 4.229 4.340 0.000 0.000 0.212 73 L C 2.271 179.162 176.870 0.036 0.000 1.080 73 L CA 2.470 57.335 54.840 0.042 0.000 0.754 73 L CB -1.202 40.812 42.059 -0.075 0.000 0.893 73 L HN 0.290 nan 8.230 nan 0.000 0.433 74 G N -1.450 107.424 108.800 0.122 0.000 2.404 74 G HA2 -0.162 3.798 3.960 0.000 0.000 0.215 74 G HA3 -0.162 3.798 3.960 0.000 0.000 0.215 74 G C 1.515 176.519 174.900 0.173 0.000 1.174 74 G CA 0.460 45.646 45.100 0.144 0.000 0.780 74 G HN 0.570 nan 8.290 nan 0.000 0.537 75 G N 0.449 109.365 108.800 0.193 0.000 2.448 75 G HA2 -0.168 3.792 3.960 0.000 0.000 0.219 75 G HA3 -0.168 3.792 3.960 0.000 0.000 0.219 75 G C 1.349 176.311 174.900 0.104 0.000 1.127 75 G CA 1.334 46.529 45.100 0.159 0.000 0.766 75 G HN 0.503 nan 8.290 nan 0.000 0.552 76 D N 0.888 121.338 120.400 0.084 0.000 2.077 76 D HA -0.028 4.612 4.640 0.000 0.000 0.193 76 D C 2.737 179.048 176.300 0.019 0.000 0.989 76 D CA 1.731 55.759 54.000 0.046 0.000 0.831 76 D CB -0.374 40.441 40.800 0.026 0.000 0.979 76 D HN 0.186 nan 8.370 nan 0.000 0.449 77 A N -0.029 122.788 122.820 -0.005 0.000 1.958 77 A HA -0.212 4.108 4.320 0.000 0.000 0.221 77 A C 2.404 179.990 177.584 0.002 0.000 1.178 77 A CA 1.685 53.706 52.037 -0.026 0.000 0.642 77 A CB -0.955 17.998 19.000 -0.078 0.000 0.816 77 A HN 0.480 nan 8.150 nan 0.000 0.453 78 I N -0.881 119.707 120.570 0.030 0.000 2.333 78 I HA -0.149 4.021 4.170 0.000 0.000 0.246 78 I C 2.873 179.014 176.117 0.041 0.000 1.106 78 I CA 0.813 62.140 61.300 0.045 0.000 1.411 78 I CB -0.301 37.742 38.000 0.071 0.000 1.082 78 I HN 0.322 nan 8.210 nan 0.000 0.420 79 A N 0.787 123.632 122.820 0.041 0.000 2.019 79 A HA -0.161 4.159 4.320 0.000 0.000 0.219 79 A C 2.246 179.843 177.584 0.021 0.000 1.164 79 A CA 1.332 53.388 52.037 0.033 0.000 0.644 79 A CB -0.530 18.490 19.000 0.034 0.000 0.805 79 A HN 0.338 nan 8.150 nan 0.000 0.449 80 R N -1.346 119.162 120.500 0.015 0.000 2.313 80 R HA 0.149 4.489 4.340 0.000 0.000 0.199 80 R C 1.369 177.675 176.300 0.011 0.000 0.958 80 R CA 0.494 56.598 56.100 0.006 0.000 1.047 80 R CB -0.209 30.088 30.300 -0.006 0.000 0.955 80 R HN 0.657 nan 8.270 nan 0.000 0.481 81 G N 1.188 110.000 108.800 0.020 0.000 2.175 81 G HA2 -0.335 3.625 3.960 0.000 0.000 0.265 81 G HA3 -0.335 3.625 3.960 0.000 0.000 0.265 81 G C 0.722 175.643 174.900 0.035 0.000 0.979 81 G CA 0.715 45.832 45.100 0.027 0.000 0.663 81 G HN 0.433 nan 8.290 nan 0.000 0.533 82 E N -0.520 119.698 120.200 0.029 0.000 2.152 82 E HA 0.134 4.484 4.350 0.000 0.000 0.192 82 E C 1.590 178.238 176.600 0.080 0.000 0.983 82 E CA 1.306 57.728 56.400 0.037 0.000 0.818 82 E CB 0.061 29.764 29.700 0.005 0.000 0.758 82 E HN 0.914 nan 8.360 nan 0.000 0.467 83 I N -3.307 117.302 120.570 0.065 0.000 3.195 83 I HA 0.500 4.670 4.170 0.000 0.000 0.313 83 I C -1.218 174.954 176.117 0.092 0.000 1.237 83 I CA -1.116 60.239 61.300 0.092 0.000 0.963 83 I CB 2.476 40.420 38.000 -0.094 0.000 1.278 83 I HN -0.364 nan 8.210 nan 0.000 0.460 84 K N 1.957 122.433 120.400 0.127 0.000 2.464 84 K HA 0.536 4.856 4.320 0.000 0.000 0.253 84 K C -0.094 176.556 176.600 0.082 0.000 0.933 84 K CA -0.743 55.603 56.287 0.098 0.000 0.801 84 K CB 2.560 35.126 32.500 0.110 0.000 1.271 84 K HN 0.782 nan 8.250 nan 0.000 0.430 85 L N 1.389 122.634 121.223 0.037 0.000 2.217 85 L HA -0.111 4.229 4.340 0.000 0.000 0.211 85 L C 1.936 178.787 176.870 -0.031 0.000 1.107 85 L CA 1.179 56.006 54.840 -0.021 0.000 0.783 85 L CB -0.176 41.815 42.059 -0.114 0.000 0.919 85 L HN 0.705 nan 8.230 nan 0.000 0.442 86 S N -2.125 113.576 115.700 0.001 0.000 2.515 86 S HA -0.038 4.432 4.470 0.000 0.000 0.231 86 S C 0.575 175.208 174.600 0.055 0.000 0.987 86 S CA 0.006 58.211 58.200 0.008 0.000 0.936 86 S CB -0.454 62.760 63.200 0.022 0.000 0.766 86 S HN 0.254 nan 8.310 nan 0.000 0.528 87 D N 3.668 124.134 120.400 0.110 0.000 2.339 87 D HA 0.360 5.000 4.640 0.000 0.000 0.245 87 D C -2.515 173.909 176.300 0.207 0.000 1.115 87 D CA -1.722 52.384 54.000 0.176 0.000 0.917 87 D CB 0.614 41.599 40.800 0.307 0.000 1.192 87 D HN 0.187 nan 8.370 nan 0.000 0.428 88 P HA 0.082 nan 4.420 nan 0.000 0.275 88 P C 0.599 178.067 177.300 0.280 0.000 1.228 88 P CA -0.248 62.983 63.100 0.218 0.000 0.786 88 P CB 0.725 32.526 31.700 0.168 0.000 0.927 89 T N 1.390 116.117 114.554 0.289 0.000 2.635 89 T HA -0.158 4.192 4.350 0.000 0.000 0.267 89 T C 1.594 176.434 174.700 0.234 0.000 1.040 89 T CA 2.515 64.779 62.100 0.274 0.000 1.156 89 T CB -1.187 67.829 68.868 0.247 0.000 0.863 89 T HN 0.522 nan 8.240 nan 0.000 0.430 90 T N 1.791 116.430 114.554 0.142 0.000 2.760 90 T HA -0.197 4.153 4.350 0.000 0.000 0.269 90 T C 1.845 176.577 174.700 0.054 0.000 1.047 90 T CA 1.612 63.750 62.100 0.063 0.000 1.139 90 T CB -0.308 68.581 68.868 0.034 0.000 0.855 90 T HN 0.500 nan 8.240 nan 0.000 0.471 91 K N 0.298 120.713 120.400 0.025 0.000 2.113 91 K HA -0.184 4.136 4.320 0.000 0.000 0.208 91 K C 1.441 177.828 176.600 -0.353 0.000 1.047 91 K CA 1.605 57.775 56.287 -0.196 0.000 0.928 91 K CB -0.201 32.089 32.500 -0.350 0.000 0.716 91 K HN 0.482 nan 8.250 nan 0.000 0.446 92 Y N -2.655 117.679 120.300 0.056 0.000 2.458 92 Y HA 0.131 4.681 4.550 0.000 0.000 0.254 92 Y C 0.273 176.220 175.900 0.078 0.000 1.120 92 Y CA -0.454 57.666 58.100 0.033 0.000 1.282 92 Y CB 0.478 38.929 38.460 -0.015 0.000 1.109 92 Y HN 0.152 nan 8.280 nan 0.000 0.526 93 W N 2.903 124.208 121.300 0.008 0.000 2.162 93 W HA 0.398 5.058 4.660 0.000 0.000 0.292 93 W C -2.513 173.949 176.519 -0.095 0.000 0.998 93 W CA -3.657 53.647 57.345 -0.069 0.000 1.570 93 W CB 0.936 30.305 29.460 -0.152 0.000 1.644 93 W HN -0.134 nan 8.180 nan 0.000 0.360 94 P HA -0.231 nan 4.420 nan 0.000 0.217 94 P C 1.005 178.277 177.300 -0.048 0.000 1.148 94 P CA 2.043 65.170 63.100 0.046 0.000 0.828 94 P CB 0.453 32.186 31.700 0.054 0.000 0.783 95 E N -0.936 119.229 120.200 -0.058 0.000 2.472 95 E HA -0.051 4.299 4.350 0.000 0.000 0.200 95 E C 0.707 177.017 176.600 -0.483 0.000 1.046 95 E CA 0.226 56.509 56.400 -0.195 0.000 0.871 95 E CB -0.897 28.768 29.700 -0.057 0.000 0.806 95 E HN 0.153 nan 8.360 nan 0.000 0.533 96 L N 1.953 122.761 121.223 -0.692 0.000 2.391 96 L HA 0.101 4.441 4.340 0.000 0.000 0.249 96 L C 0.968 177.603 176.870 -0.391 0.000 1.308 96 L CA 0.332 54.685 54.840 -0.811 0.000 1.209 96 L CB -0.527 40.917 42.059 -1.025 0.000 1.401 96 L HN 0.105 nan 8.230 nan 0.000 0.416 97 T N -0.909 113.501 114.554 -0.239 0.000 2.978 97 T HA 0.214 4.564 4.350 0.000 0.000 0.262 97 T C 1.097 175.822 174.700 0.041 0.000 1.063 97 T CA 0.294 62.351 62.100 -0.072 0.000 1.140 97 T CB -0.213 68.623 68.868 -0.054 0.000 0.886 97 T HN 0.532 nan 8.240 nan 0.000 0.470 98 A N 2.565 125.441 122.820 0.093 0.000 2.624 98 A HA 0.067 4.388 4.320 0.000 0.000 0.231 98 A C 1.606 179.344 177.584 0.257 0.000 1.034 98 A CA 0.109 52.269 52.037 0.206 0.000 0.754 98 A CB 0.180 19.370 19.000 0.316 0.000 0.953 98 A HN 0.452 nan 8.150 nan 0.000 0.509 99 K N 1.316 121.795 120.400 0.132 0.000 2.074 99 K HA -0.240 4.080 4.320 0.000 0.000 0.209 99 K C 2.199 178.845 176.600 0.076 0.000 1.048 99 K CA 1.794 58.135 56.287 0.089 0.000 0.926 99 K CB -0.290 32.224 32.500 0.022 0.000 0.713 99 K HN 0.975 nan 8.250 nan 0.000 0.444 100 Q N 0.452 120.246 119.800 -0.011 0.000 2.197 100 Q HA -0.206 4.134 4.340 0.000 0.000 0.207 100 Q C 1.739 177.636 176.000 -0.171 0.000 0.984 100 Q CA 1.645 57.338 55.803 -0.185 0.000 0.869 100 Q CB -0.938 27.569 28.738 -0.384 0.000 0.906 100 Q HN 0.497 nan 8.270 nan 0.000 0.426 101 W N 2.339 123.714 121.300 0.125 0.000 2.632 101 W HA -0.000 4.660 4.660 -0.000 0.000 0.248 101 W C 1.866 178.457 176.519 0.121 0.000 1.259 101 W CA 0.462 57.891 57.345 0.141 0.000 1.288 101 W CB -0.415 29.098 29.460 0.088 0.000 1.136 101 W HN 0.332 nan 8.180 nan 0.000 0.640 102 N N 0.272 119.128 118.700 0.260 0.000 1.984 102 N HA -0.229 4.511 4.740 0.000 0.000 0.170 102 N C 1.651 177.282 175.510 0.202 0.000 0.915 102 N CA 1.781 54.943 53.050 0.186 0.000 0.883 102 N CB -0.859 37.693 38.487 0.107 0.000 0.991 102 N HN 0.150 nan 8.380 nan 0.000 0.897 103 G N 0.399 109.303 108.800 0.173 0.000 3.374 103 G HA2 0.255 4.215 3.960 0.000 0.000 0.252 103 G HA3 0.255 4.215 3.960 0.000 0.000 0.252 103 G C 0.077 175.162 174.900 0.308 0.000 1.326 103 G CA -0.210 45.013 45.100 0.206 0.000 1.133 103 G HN 0.306 nan 8.290 nan 0.000 0.528 104 I N 2.634 123.409 120.570 0.342 0.000 2.291 104 I HA 0.164 4.334 4.170 0.000 0.000 0.292 104 I C 1.197 177.575 176.117 0.434 0.000 1.064 104 I CA -0.433 61.150 61.300 0.471 0.000 1.269 104 I CB 0.851 39.091 38.000 0.401 0.000 1.418 104 I HN 0.113 nan 8.210 nan 0.000 0.485 105 T N 3.134 117.909 114.554 0.369 0.000 2.788 105 T HA 0.340 4.690 4.350 0.000 0.000 0.280 105 T C 1.282 176.038 174.700 0.094 0.000 0.984 105 T CA -0.676 61.486 62.100 0.104 0.000 0.972 105 T CB 1.120 69.920 68.868 -0.113 0.000 1.039 105 T HN 0.418 nan 8.240 nan 0.000 0.530 106 L N 0.266 121.533 121.223 0.073 0.000 2.093 106 L HA 0.017 4.357 4.340 0.000 0.000 0.208 106 L C 2.548 179.353 176.870 -0.109 0.000 1.085 106 L CA 0.774 55.677 54.840 0.105 0.000 0.755 106 L CB -0.765 41.397 42.059 0.172 0.000 0.904 106 L HN 0.617 nan 8.230 nan 0.000 0.435 107 L N -0.241 120.864 121.223 -0.197 0.000 1.956 107 L HA -0.291 4.049 4.340 0.000 0.000 0.216 107 L C 2.695 179.463 176.870 -0.170 0.000 1.073 107 L CA 1.985 56.642 54.840 -0.305 0.000 0.762 107 L CB -0.927 40.950 42.059 -0.302 0.000 0.889 107 L HN 0.235 nan 8.230 nan 0.000 0.433 108 H N -0.103 119.008 119.070 0.069 0.000 2.297 108 H HA -0.255 4.301 4.556 0.000 0.000 0.289 108 H C 2.449 177.755 175.328 -0.037 0.000 1.105 108 H CA 2.279 58.375 56.048 0.080 0.000 1.219 108 H CB -0.910 28.922 29.762 0.117 0.000 1.351 108 H HN 0.371 nan 8.280 nan 0.000 0.481 109 L N -0.129 121.146 121.223 0.086 0.000 1.989 109 L HA -0.206 4.134 4.340 0.000 0.000 0.211 109 L C 2.800 179.543 176.870 -0.212 0.000 1.071 109 L CA 1.331 56.181 54.840 0.017 0.000 0.749 109 L CB -0.659 41.483 42.059 0.138 0.000 0.890 109 L HN 0.282 nan 8.230 nan 0.000 0.431 110 A N -0.603 121.877 122.820 -0.567 0.000 2.015 110 A HA -0.156 4.164 4.320 0.000 0.000 0.219 110 A C 2.038 179.190 177.584 -0.720 0.000 1.163 110 A CA 1.911 53.377 52.037 -0.952 0.000 0.646 110 A CB -0.612 17.421 19.000 -1.613 0.000 0.806 110 A HN 0.542 nan 8.150 nan 0.000 0.448 111 T N -5.972 108.276 114.554 -0.509 0.000 3.134 111 T HA 0.288 4.638 4.350 0.000 0.000 0.260 111 T C 0.354 174.830 174.700 -0.372 0.000 1.027 111 T CA 0.245 62.101 62.100 -0.406 0.000 0.913 111 T CB -0.690 68.258 68.868 0.134 0.000 1.046 111 T HN 0.664 nan 8.240 nan 0.000 0.553 112 Y N 0.828 121.100 120.300 -0.047 0.000 4.538 112 Y HA -0.278 4.272 4.550 0.000 0.000 0.225 112 Y C 1.361 177.212 175.900 -0.083 0.000 1.074 112 Y CA 0.739 58.806 58.100 -0.054 0.000 1.942 112 Y CB -3.120 35.307 38.460 -0.056 0.000 1.618 112 Y HN 0.608 nan 8.280 nan 0.000 0.642 113 T N -4.008 110.528 114.554 -0.030 0.000 3.206 113 T HA 0.630 4.980 4.350 0.000 0.000 0.253 113 T C 1.504 176.130 174.700 -0.124 0.000 1.042 113 T CA 0.214 62.201 62.100 -0.189 0.000 0.931 113 T CB 0.441 68.981 68.868 -0.547 0.000 1.029 113 T HN 0.531 nan 8.240 nan 0.000 0.564 114 A N 1.157 123.977 122.820 -0.000 0.000 2.209 114 A HA 0.563 4.883 4.320 0.000 0.000 0.212 114 A C 1.919 179.556 177.584 0.089 0.000 1.158 114 A CA 0.383 52.408 52.037 -0.020 0.000 0.742 114 A CB -0.956 18.041 19.000 -0.004 0.000 0.790 114 A HN 1.373 nan 8.150 nan 0.000 0.472 115 G N -2.983 105.945 108.800 0.212 0.000 2.145 115 G HA2 0.309 4.269 3.960 0.000 0.000 0.176 115 G HA3 0.309 4.269 3.960 0.000 0.000 0.176 115 G C 1.100 176.335 174.900 0.557 0.000 1.013 115 G CA 0.439 45.785 45.100 0.409 0.000 0.689 115 G HN 2.037 nan 8.290 nan 0.000 0.506 116 G N -1.254 107.888 108.800 0.570 0.000 2.148 116 G HA2 -0.054 3.906 3.960 0.000 0.000 0.157 116 G HA3 -0.054 3.906 3.960 0.000 0.000 0.157 116 G C 0.437 175.609 174.900 0.454 0.000 1.012 116 G CA -0.011 45.394 45.100 0.508 0.000 0.677 116 G HN 1.262 nan 8.290 nan 0.000 0.506 117 L N 2.063 123.360 121.223 0.123 0.000 2.514 117 L HA 0.259 4.599 4.340 0.000 0.000 0.280 117 L C -1.138 175.793 176.870 0.102 0.000 1.223 117 L CA -1.208 53.508 54.840 -0.206 0.000 0.864 117 L CB 0.191 42.057 42.059 -0.322 0.000 1.118 117 L HN 0.035 nan 8.230 nan 0.000 0.494 118 P HA -0.051 nan 4.420 nan 0.000 0.268 118 P C 0.547 177.950 177.300 0.172 0.000 1.204 118 P CA -0.348 62.869 63.100 0.194 0.000 0.768 118 P CB 0.815 32.665 31.700 0.249 0.000 0.842 119 L N 1.715 123.030 121.223 0.154 0.000 2.064 119 L HA -0.183 4.157 4.340 0.000 0.000 0.216 119 L C 0.801 177.752 176.870 0.134 0.000 1.077 119 L CA 2.092 57.017 54.840 0.142 0.000 0.766 119 L CB -0.450 41.697 42.059 0.147 0.000 0.890 119 L HN 0.405 nan 8.230 nan 0.000 0.435 120 Q N -0.950 118.925 119.800 0.124 0.000 2.413 120 Q HA 0.405 4.745 4.340 0.000 0.000 0.276 120 Q C -1.253 174.784 176.000 0.063 0.000 1.099 120 Q CA -0.750 55.110 55.803 0.095 0.000 0.814 120 Q CB 2.401 31.179 28.738 0.065 0.000 1.379 120 Q HN -0.088 nan 8.270 nan 0.000 0.436 121 V N 4.320 124.217 119.914 -0.028 0.000 2.432 121 V HA 0.204 4.324 4.120 0.000 0.000 0.271 121 V C -2.012 173.951 176.094 -0.219 0.000 1.046 121 V CA -1.414 60.717 62.300 -0.281 0.000 0.945 121 V CB 0.843 32.481 31.823 -0.308 0.000 0.992 121 V HN 0.606 nan 8.190 nan 0.000 0.471 122 P HA 0.004 nan 4.420 nan 0.000 0.261 122 P C 0.207 177.448 177.300 -0.097 0.000 1.173 122 P CA 0.019 63.062 63.100 -0.094 0.000 0.760 122 P CB 0.420 32.102 31.700 -0.031 0.000 0.783 123 D N 1.738 122.118 120.400 -0.035 0.000 2.378 123 D HA -0.149 4.491 4.640 0.000 0.000 0.222 123 D C 0.697 176.989 176.300 -0.014 0.000 0.980 123 D CA 0.999 54.988 54.000 -0.018 0.000 0.907 123 D CB -0.402 40.404 40.800 0.009 0.000 0.899 123 D HN 0.381 nan 8.370 nan 0.000 0.527 124 E N -0.038 120.153 120.200 -0.015 0.000 2.435 124 E HA 0.061 4.411 4.350 0.000 0.000 0.195 124 E C 0.315 176.908 176.600 -0.011 0.000 1.029 124 E CA 0.069 56.469 56.400 -0.001 0.000 0.865 124 E CB 0.266 29.975 29.700 0.015 0.000 0.833 124 E HN 0.120 nan 8.360 nan 0.000 0.510 125 V N 2.771 122.654 119.914 -0.052 0.000 2.287 125 V HA 0.023 4.143 4.120 0.000 0.000 0.246 125 V C 0.832 176.897 176.094 -0.047 0.000 1.165 125 V CA 0.236 62.494 62.300 -0.070 0.000 1.088 125 V CB 0.026 31.721 31.823 -0.212 0.000 1.242 125 V HN 0.191 nan 8.190 nan 0.000 0.497 126 K N 2.400 122.794 120.400 -0.009 0.000 2.102 126 K HA 0.103 4.423 4.320 0.000 0.000 0.206 126 K C 1.291 177.896 176.600 0.008 0.000 1.031 126 K CA 0.704 56.990 56.287 -0.001 0.000 0.962 126 K CB -0.132 32.372 32.500 0.007 0.000 0.811 126 K HN 0.626 nan 8.250 nan 0.000 0.453 127 S N 0.552 116.268 115.700 0.026 0.000 2.608 127 S HA 0.067 4.537 4.470 0.000 0.000 0.261 127 S C 1.059 175.696 174.600 0.061 0.000 1.314 127 S CA -0.499 57.723 58.200 0.037 0.000 0.992 127 S CB 1.481 64.710 63.200 0.049 0.000 0.935 127 S HN 0.116 nan 8.310 nan 0.000 0.564 128 S N 0.625 116.362 115.700 0.062 0.000 2.474 128 S HA -0.059 4.411 4.470 0.000 0.000 0.235 128 S C 2.026 176.750 174.600 0.207 0.000 0.997 128 S CA 0.988 59.247 58.200 0.098 0.000 0.949 128 S CB -0.614 62.610 63.200 0.040 0.000 0.766 128 S HN 0.788 nan 8.310 nan 0.000 0.517 129 S N 1.607 117.397 115.700 0.150 0.000 2.345 129 S HA -0.125 4.346 4.470 0.000 0.000 0.219 129 S C 1.536 176.236 174.600 0.167 0.000 1.031 129 S CA 1.195 59.488 58.200 0.154 0.000 0.984 129 S CB -0.418 62.842 63.200 0.100 0.000 0.874 129 S HN 0.392 nan 8.310 nan 0.000 0.451 130 D N 1.202 121.681 120.400 0.133 0.000 2.104 130 D HA -0.098 4.542 4.640 0.000 0.000 0.194 130 D C 1.961 178.373 176.300 0.187 0.000 0.994 130 D CA 1.107 55.181 54.000 0.123 0.000 0.830 130 D CB -0.593 40.248 40.800 0.069 0.000 0.959 130 D HN 0.376 nan 8.370 nan 0.000 0.452 131 L N 0.853 122.202 121.223 0.211 0.000 2.042 131 L HA -0.124 4.216 4.340 0.000 0.000 0.210 131 L C 2.199 179.427 176.870 0.596 0.000 1.076 131 L CA 1.247 56.294 54.840 0.345 0.000 0.749 131 L CB -0.388 41.859 42.059 0.314 0.000 0.893 131 L HN 0.062 nan 8.230 nan 0.000 0.432 132 L N -0.484 121.045 121.223 0.511 0.000 2.012 132 L HA -0.265 4.075 4.340 0.000 0.000 0.210 132 L C 2.758 179.730 176.870 0.169 0.000 1.073 132 L CA 1.875 56.895 54.840 0.301 0.000 0.748 132 L CB -0.463 41.738 42.059 0.238 0.000 0.891 132 L HN 0.358 nan 8.230 nan 0.000 0.431 133 R N -0.891 119.720 120.500 0.186 0.000 2.096 133 R HA -0.263 4.077 4.340 0.000 0.000 0.240 133 R C 2.155 178.569 176.300 0.189 0.000 1.139 133 R CA 2.028 58.217 56.100 0.148 0.000 0.952 133 R CB -0.795 29.588 30.300 0.138 0.000 0.854 133 R HN 0.359 nan 8.270 nan 0.000 0.436 134 F N 0.557 120.552 119.950 0.075 0.000 2.043 134 F HA -0.315 4.212 4.527 0.000 0.000 0.297 134 F C 1.742 177.584 175.800 0.070 0.000 1.118 134 F CA 1.619 59.628 58.000 0.015 0.000 1.202 134 F CB -0.494 38.438 39.000 -0.114 0.000 0.965 134 F HN -0.026 nan 8.300 nan 0.000 0.482 135 Y N 0.078 120.429 120.300 0.086 0.000 2.395 135 Y HA -0.104 4.446 4.550 0.000 0.000 0.293 135 Y C 2.584 178.660 175.900 0.293 0.000 1.123 135 Y CA 1.158 59.294 58.100 0.059 0.000 1.227 135 Y CB -0.706 37.810 38.460 0.093 0.000 1.012 135 Y HN 0.161 nan 8.280 nan 0.000 0.552 136 Q N 0.252 120.195 119.800 0.238 0.000 2.079 136 Q HA -0.150 4.190 4.340 0.000 0.000 0.200 136 Q C 1.312 177.453 176.000 0.235 0.000 0.974 136 Q CA 1.393 57.326 55.803 0.217 0.000 0.840 136 Q CB -0.447 28.320 28.738 0.049 0.000 0.898 136 Q HN 0.652 nan 8.270 nan 0.000 0.430 137 N N -0.796 117.990 118.700 0.143 0.000 2.463 137 N HA -0.070 4.670 4.740 0.000 0.000 0.181 137 N C -0.018 175.508 175.510 0.026 0.000 1.078 137 N CA -0.369 52.720 53.050 0.065 0.000 0.902 137 N CB 0.107 38.620 38.487 0.043 0.000 0.970 137 N HN 0.166 nan 8.380 nan 0.000 0.451 138 W N 3.436 124.664 121.300 -0.121 0.000 2.308 138 W HA 0.051 4.711 4.660 0.000 0.000 0.324 138 W C -0.616 175.786 176.519 -0.194 0.000 1.387 138 W CA -0.259 56.960 57.345 -0.210 0.000 1.250 138 W CB 0.551 29.839 29.460 -0.287 0.000 1.257 138 W HN -0.039 nan 8.180 nan 0.000 0.554 139 Q N 8.407 127.561 119.800 -1.077 0.000 2.322 139 Q HA 0.339 4.679 4.340 0.000 0.000 0.265 139 Q C -2.108 172.946 176.000 -1.576 0.000 0.985 139 Q CA -2.165 52.941 55.803 -1.161 0.000 0.849 139 Q CB 1.272 29.636 28.738 -0.623 0.000 1.274 139 Q HN 0.389 nan 8.270 nan 0.000 0.449 140 P HA 0.074 nan 4.420 nan 0.000 0.269 140 P C -0.219 176.653 177.300 -0.713 0.000 1.215 140 P CA 0.036 62.451 63.100 -1.141 0.000 0.780 140 P CB 0.828 32.099 31.700 -0.714 0.000 0.898 141 A N 1.771 124.161 122.820 -0.717 0.000 2.063 141 A HA 0.182 4.503 4.320 0.000 0.000 0.211 141 A C 0.285 177.156 177.584 -1.189 0.000 1.177 141 A CA 0.525 51.886 52.037 -1.128 0.000 0.759 141 A CB -0.054 17.822 19.000 -1.873 0.000 0.857 141 A HN 0.565 nan 8.150 nan 0.000 0.468 142 W N -2.488 118.764 121.300 -0.080 0.000 3.038 142 W HA 0.662 5.322 4.660 0.000 0.000 0.347 142 W C -0.086 176.381 176.519 -0.087 0.000 1.219 142 W CA -1.181 56.120 57.345 -0.074 0.000 1.142 142 W CB 0.884 30.311 29.460 -0.055 0.000 1.484 142 W HN 0.112 nan 8.180 nan 0.000 0.586 143 A N 2.449 125.375 122.820 0.177 0.000 2.407 143 A HA 0.561 4.882 4.320 0.000 0.000 0.248 143 A C -2.203 175.394 177.584 0.021 0.000 1.082 143 A CA -0.952 51.122 52.037 0.061 0.000 0.785 143 A CB -0.663 18.370 19.000 0.055 0.000 1.020 143 A HN 0.097 nan 8.150 nan 0.000 0.489 144 P HA 0.212 nan 4.420 nan 0.000 0.267 144 P C 0.936 178.075 177.300 -0.268 0.000 1.200 144 P CA 1.645 64.548 63.100 -0.327 0.000 0.772 144 P CB 0.417 31.818 31.700 -0.498 0.000 0.855 145 G N 1.337 109.912 108.800 -0.374 0.000 2.168 145 G HA2 -0.294 3.666 3.960 0.000 0.000 0.257 145 G HA3 -0.294 3.666 3.960 0.000 0.000 0.257 145 G C 0.721 175.556 174.900 -0.108 0.000 0.997 145 G CA 0.889 45.953 45.100 -0.060 0.000 0.708 145 G HN 0.694 nan 8.290 nan 0.000 0.520 146 T N -4.660 109.795 114.554 -0.165 0.000 3.026 146 T HA 0.424 4.774 4.350 0.000 0.000 0.245 146 T C 0.645 175.181 174.700 -0.273 0.000 1.004 146 T CA 0.898 62.917 62.100 -0.135 0.000 1.069 146 T CB 0.548 69.389 68.868 -0.046 0.000 1.005 146 T HN 0.283 nan 8.240 nan 0.000 0.472 147 Q N 0.999 120.580 119.800 -0.365 0.000 2.347 147 Q HA 0.483 4.823 4.340 0.000 0.000 0.271 147 Q C -1.275 174.499 176.000 -0.377 0.000 1.064 147 Q CA -0.533 54.973 55.803 -0.494 0.000 0.800 147 Q CB 3.064 31.189 28.738 -1.021 0.000 1.304 147 Q HN 0.382 nan 8.270 nan 0.000 0.438 148 R N 2.125 122.437 120.500 -0.314 0.000 2.254 148 R HA 0.482 4.822 4.340 0.000 0.000 0.318 148 R C -1.025 175.219 176.300 -0.094 0.000 1.031 148 R CA -0.452 55.549 56.100 -0.165 0.000 0.905 148 R CB 0.368 30.615 30.300 -0.088 0.000 1.050 148 R HN 0.476 nan 8.270 nan 0.000 0.456 149 L N 6.242 127.479 121.223 0.024 0.000 2.454 149 L HA 0.245 4.585 4.340 0.000 0.000 0.258 149 L C -1.322 175.571 176.870 0.039 0.000 1.025 149 L CA -0.697 54.188 54.840 0.076 0.000 0.901 149 L CB 0.701 42.892 42.059 0.221 0.000 1.210 149 L HN 0.625 nan 8.230 nan 0.000 0.457 150 Y N 4.312 124.456 120.300 -0.261 0.000 3.032 150 Y HA 0.254 4.804 4.550 0.000 0.000 0.344 150 Y C 0.168 175.905 175.900 -0.272 0.000 1.273 150 Y CA 1.159 58.883 58.100 -0.626 0.000 1.588 150 Y CB 0.335 38.515 38.460 -0.467 0.000 1.209 150 Y HN 0.817 nan 8.280 nan 0.000 0.597 151 A N 5.319 127.804 122.820 -0.558 0.000 2.577 151 A HA 0.343 4.663 4.320 0.000 0.000 0.297 151 A C -0.197 177.384 177.584 -0.004 0.000 1.060 151 A CA -0.825 51.165 52.037 -0.078 0.000 0.697 151 A CB 0.936 19.996 19.000 0.101 0.000 1.281 151 A HN 0.702 nan 8.150 nan 0.000 0.402 152 N N 0.802 119.542 118.700 0.066 0.000 2.207 152 N HA -0.109 4.631 4.740 0.000 0.000 0.182 152 N C 2.048 177.650 175.510 0.153 0.000 1.020 152 N CA 1.935 55.062 53.050 0.128 0.000 0.858 152 N CB -0.125 38.485 38.487 0.206 0.000 0.991 152 N HN 0.824 nan 8.380 nan 0.000 0.427 153 S N -0.970 114.841 115.700 0.185 0.000 2.474 153 S HA -0.005 4.465 4.470 0.000 0.000 0.235 153 S C 1.952 176.755 174.600 0.340 0.000 0.997 153 S CA 1.008 59.380 58.200 0.287 0.000 0.949 153 S CB -0.135 63.255 63.200 0.318 0.000 0.766 153 S HN 0.193 nan 8.310 nan 0.000 0.517 154 S N 1.516 117.348 115.700 0.219 0.000 2.288 154 S HA 0.208 4.678 4.470 0.000 0.000 0.191 154 S C 1.626 176.299 174.600 0.122 0.000 1.028 154 S CA 0.442 58.743 58.200 0.168 0.000 1.030 154 S CB -0.807 62.495 63.200 0.169 0.000 0.932 154 S HN 0.511 nan 8.310 nan 0.000 0.463 155 I N 1.452 122.060 120.570 0.063 0.000 2.300 155 I HA -0.169 4.001 4.170 0.000 0.000 0.252 155 I C 2.064 178.236 176.117 0.091 0.000 1.119 155 I CA 1.622 62.945 61.300 0.039 0.000 1.384 155 I CB -0.661 37.308 38.000 -0.052 0.000 1.062 155 I HN 0.530 nan 8.210 nan 0.000 0.426 156 G N 0.633 109.471 108.800 0.062 0.000 2.421 156 G HA2 -0.309 3.651 3.960 0.000 0.000 0.216 156 G HA3 -0.309 3.651 3.960 0.000 0.000 0.216 156 G C 1.526 176.381 174.900 -0.076 0.000 1.171 156 G CA 0.962 46.040 45.100 -0.037 0.000 0.775 156 G HN 0.422 nan 8.290 nan 0.000 0.543 157 L N -0.263 120.972 121.223 0.020 0.000 2.141 157 L HA 0.143 4.483 4.340 0.000 0.000 0.209 157 L C 2.416 179.248 176.870 -0.062 0.000 1.094 157 L CA 1.474 56.274 54.840 -0.067 0.000 0.763 157 L CB -0.606 41.388 42.059 -0.108 0.000 0.908 157 L HN 0.229 nan 8.230 nan 0.000 0.437 158 F N 0.391 120.268 119.950 -0.122 0.000 2.126 158 F HA -0.065 4.462 4.527 0.000 0.000 0.299 158 F C 2.132 177.849 175.800 -0.137 0.000 1.096 158 F CA 1.715 59.638 58.000 -0.129 0.000 1.255 158 F CB -0.985 37.945 39.000 -0.117 0.000 0.997 158 F HN 0.102 nan 8.300 nan 0.000 0.479 159 G N -0.300 108.353 108.800 -0.246 0.000 2.418 159 G HA2 -0.187 3.773 3.960 0.000 0.000 0.217 159 G HA3 -0.187 3.773 3.960 0.000 0.000 0.217 159 G C 1.813 176.505 174.900 -0.348 0.000 1.158 159 G CA 0.786 45.682 45.100 -0.341 0.000 0.771 159 G HN 0.638 nan 8.290 nan 0.000 0.545 160 A N 0.158 122.752 122.820 -0.376 0.000 1.930 160 A HA 0.145 4.465 4.320 0.000 0.000 0.217 160 A C 2.302 179.725 177.584 -0.269 0.000 1.175 160 A CA 1.268 53.117 52.037 -0.313 0.000 0.627 160 A CB -0.286 18.510 19.000 -0.340 0.000 0.815 160 A HN 0.289 nan 8.150 nan 0.000 0.443 161 L N -0.626 120.406 121.223 -0.318 0.000 2.131 161 L HA 0.071 4.411 4.340 0.000 0.000 0.206 161 L C 2.888 179.530 176.870 -0.380 0.000 1.087 161 L CA 1.539 56.198 54.840 -0.301 0.000 0.767 161 L CB -1.013 40.883 42.059 -0.271 0.000 0.917 161 L HN 0.365 nan 8.230 nan 0.000 0.441 162 A N -0.385 122.115 122.820 -0.534 0.000 2.024 162 A HA -0.144 4.176 4.320 0.000 0.000 0.220 162 A C 2.041 179.434 177.584 -0.319 0.000 1.164 162 A CA 1.857 53.547 52.037 -0.579 0.000 0.643 162 A CB -0.828 17.651 19.000 -0.868 0.000 0.806 162 A HN 0.340 nan 8.150 nan 0.000 0.451 163 V N -4.456 115.328 119.914 -0.216 0.000 3.647 163 V HA 0.109 4.229 4.120 0.000 0.000 0.279 163 V C 1.666 177.702 176.094 -0.098 0.000 1.314 163 V CA 0.625 62.843 62.300 -0.136 0.000 1.125 163 V CB -0.312 31.455 31.823 -0.093 0.000 0.907 163 V HN 0.156 nan 8.190 nan 0.000 0.434 164 K N 2.059 122.405 120.400 -0.090 0.000 2.001 164 K HA -0.042 4.278 4.320 0.000 0.000 0.214 164 K C 0.223 176.822 176.600 -0.002 0.000 1.050 164 K CA 2.201 58.466 56.287 -0.035 0.000 0.934 164 K CB -2.016 30.500 32.500 0.027 0.000 0.718 164 K HN 0.496 nan 8.250 nan 0.000 0.443 165 P HA -0.077 nan 4.420 nan 0.000 0.220 165 P C 1.224 178.521 177.300 -0.004 0.000 1.148 165 P CA 1.369 64.492 63.100 0.039 0.000 0.803 165 P CB -0.151 31.605 31.700 0.095 0.000 0.782 166 S N -1.246 114.436 115.700 -0.030 0.000 2.515 166 S HA 0.101 4.571 4.470 0.000 0.000 0.231 166 S C 1.913 176.483 174.600 -0.050 0.000 0.987 166 S CA 0.957 59.129 58.200 -0.047 0.000 0.936 166 S CB -1.521 61.633 63.200 -0.075 0.000 0.766 166 S HN 0.312 nan 8.310 nan 0.000 0.528 167 G N 0.741 109.514 108.800 -0.045 0.000 2.257 167 G HA2 -0.282 3.678 3.960 0.000 0.000 0.267 167 G HA3 -0.282 3.678 3.960 0.000 0.000 0.267 167 G C 0.076 174.940 174.900 -0.060 0.000 0.984 167 G CA 0.690 45.762 45.100 -0.047 0.000 0.626 167 G HN 0.594 nan 8.290 nan 0.000 0.540 168 L N 1.624 122.801 121.223 -0.076 0.000 2.456 168 L HA 0.550 4.890 4.340 0.000 0.000 0.257 168 L C 1.546 178.363 176.870 -0.089 0.000 1.162 168 L CA -0.161 54.624 54.840 -0.091 0.000 0.808 168 L CB 0.972 42.958 42.059 -0.122 0.000 1.136 168 L HN 0.404 nan 8.230 nan 0.000 0.466 169 S N 0.111 115.760 115.700 -0.085 0.000 2.600 169 S HA 0.047 4.517 4.470 0.000 0.000 0.265 169 S C 0.818 175.375 174.600 -0.073 0.000 1.325 169 S CA -0.414 57.749 58.200 -0.061 0.000 1.002 169 S CB 0.411 63.581 63.200 -0.049 0.000 0.921 169 S HN 0.551 nan 8.310 nan 0.000 0.554 170 F N 1.173 121.026 119.950 -0.162 0.000 2.095 170 F HA -0.121 4.406 4.527 0.000 0.000 0.298 170 F C 2.469 178.143 175.800 -0.210 0.000 1.104 170 F CA 2.275 60.162 58.000 -0.188 0.000 1.232 170 F CB -0.409 38.478 39.000 -0.188 0.000 0.987 170 F HN 0.930 nan 8.300 nan 0.000 0.475 171 E N -0.417 119.675 120.200 -0.181 0.000 2.072 171 E HA -0.248 4.102 4.350 0.000 0.000 0.191 171 E C 2.273 178.668 176.600 -0.343 0.000 0.985 171 E CA 1.295 57.536 56.400 -0.264 0.000 0.801 171 E CB -0.265 29.388 29.700 -0.078 0.000 0.750 171 E HN 0.557 nan 8.360 nan 0.000 0.452 172 Q N -0.217 119.440 119.800 -0.239 0.000 2.096 172 Q HA -0.198 4.142 4.340 0.000 0.000 0.204 172 Q C 2.208 178.027 176.000 -0.302 0.000 0.982 172 Q CA 1.454 57.125 55.803 -0.221 0.000 0.850 172 Q CB -0.177 28.471 28.738 -0.149 0.000 0.901 172 Q HN 0.372 nan 8.270 nan 0.000 0.422 173 A N 0.561 123.170 122.820 -0.352 0.000 1.902 173 A HA -0.215 4.105 4.320 0.000 0.000 0.217 173 A C 2.013 179.300 177.584 -0.496 0.000 1.181 173 A CA 1.587 53.399 52.037 -0.375 0.000 0.623 173 A CB -0.444 18.341 19.000 -0.359 0.000 0.818 173 A HN 0.345 nan 8.150 nan 0.000 0.443 174 M N -0.523 118.637 119.600 -0.733 0.000 2.067 174 M HA -0.163 4.317 4.480 0.000 0.000 0.260 174 M C 2.160 177.820 176.300 -1.066 0.000 1.069 174 M CA 2.271 56.990 55.300 -0.968 0.000 1.117 174 M CB -0.680 31.181 32.600 -1.233 0.000 1.334 174 M HN 0.505 nan 8.290 nan 0.000 0.407 175 Q N -0.862 118.388 119.800 -0.916 0.000 2.014 175 Q HA -0.214 4.126 4.340 0.000 0.000 0.207 175 Q C 1.917 177.702 176.000 -0.359 0.000 0.993 175 Q CA 3.438 58.875 55.803 -0.609 0.000 0.850 175 Q CB -0.395 28.131 28.738 -0.354 0.000 0.916 175 Q HN 0.789 nan 8.270 nan 0.000 0.417 176 T N -2.250 112.123 114.554 -0.302 0.000 2.857 176 T HA -0.063 4.287 4.350 0.000 0.000 0.266 176 T C 1.718 176.313 174.700 -0.175 0.000 1.048 176 T CA 1.162 63.144 62.100 -0.195 0.000 1.139 176 T CB -0.146 68.624 68.868 -0.163 0.000 0.874 176 T HN 0.162 nan 8.240 nan 0.000 0.455 177 R N -0.076 120.286 120.500 -0.229 0.000 2.210 177 R HA 0.331 4.671 4.340 0.000 0.000 0.203 177 R C 1.827 178.066 176.300 -0.101 0.000 1.010 177 R CA 0.418 56.424 56.100 -0.157 0.000 1.008 177 R CB 0.203 30.404 30.300 -0.166 0.000 0.923 177 R HN 0.319 nan 8.270 nan 0.000 0.469 178 V N -1.478 118.339 119.914 -0.160 0.000 3.264 178 V HA 0.026 4.146 4.120 0.000 0.000 0.217 178 V C 1.372 177.548 176.094 0.136 0.000 1.236 178 V CA 0.268 62.570 62.300 0.003 0.000 1.287 178 V CB -0.482 31.346 31.823 0.007 0.000 1.241 178 V HN -0.031 nan 8.190 nan 0.000 0.518 179 F N 1.568 121.411 119.950 -0.179 0.000 2.043 179 F HA -0.260 4.267 4.527 0.000 0.000 0.297 179 F C 2.609 178.310 175.800 -0.166 0.000 1.118 179 F CA 1.840 59.700 58.000 -0.234 0.000 1.202 179 F CB -1.399 37.362 39.000 -0.398 0.000 0.965 179 F HN 0.223 nan 8.300 nan 0.000 0.482 180 Q N 0.054 119.881 119.800 0.044 0.000 1.956 180 Q HA -0.196 4.144 4.340 0.000 0.000 0.208 180 Q C -0.287 175.711 176.000 -0.004 0.000 0.998 180 Q CA 2.296 58.085 55.803 -0.023 0.000 0.855 180 Q CB -1.616 27.083 28.738 -0.065 0.000 0.928 180 Q HN 0.244 nan 8.270 nan 0.000 0.418 181 P HA -0.157 nan 4.420 nan 0.000 0.222 181 P C 0.669 177.994 177.300 0.042 0.000 1.142 181 P CA 1.337 64.447 63.100 0.016 0.000 0.788 181 P CB -0.039 31.672 31.700 0.019 0.000 0.767 182 L N -2.003 119.265 121.223 0.074 0.000 2.607 182 L HA 0.195 4.536 4.340 0.000 0.000 0.228 182 L C 0.539 177.443 176.870 0.057 0.000 1.123 182 L CA 0.068 54.967 54.840 0.098 0.000 0.890 182 L CB -0.457 41.721 42.059 0.198 0.000 1.103 182 L HN -0.121 nan 8.230 nan 0.000 0.468 183 K N -0.004 120.407 120.400 0.018 0.000 3.291 183 K HA -0.152 4.168 4.320 0.000 0.000 0.290 183 K C -0.197 176.371 176.600 -0.053 0.000 1.235 183 K CA 0.404 56.679 56.287 -0.020 0.000 0.848 183 K CB -1.958 30.537 32.500 -0.007 0.000 1.295 183 K HN 0.222 nan 8.250 nan 0.000 0.497 184 L N 1.415 122.594 121.223 -0.073 0.000 2.415 184 L HA 0.092 4.432 4.340 0.000 0.000 0.269 184 L C 0.968 177.651 176.870 -0.311 0.000 1.244 184 L CA -0.446 54.288 54.840 -0.177 0.000 1.113 184 L CB -0.133 41.767 42.059 -0.267 0.000 1.352 184 L HN 0.159 nan 8.230 nan 0.000 0.433 185 N N 0.534 119.072 118.700 -0.270 0.000 2.520 185 N HA -0.109 4.631 4.740 0.000 0.000 0.185 185 N C 0.773 175.844 175.510 -0.732 0.000 1.068 185 N CA 0.966 53.729 53.050 -0.477 0.000 0.911 185 N CB 0.011 38.216 38.487 -0.471 0.000 0.961 185 N HN 0.570 nan 8.380 nan 0.000 0.446 186 H N -0.898 118.051 119.070 -0.203 0.000 2.651 186 H HA 0.251 4.807 4.556 0.000 0.000 0.241 186 H C -0.321 174.840 175.328 -0.279 0.000 1.225 186 H CA -0.144 55.846 56.048 -0.096 0.000 0.942 186 H CB 0.335 30.109 29.762 0.019 0.000 1.996 186 H HN -0.111 nan 8.280 nan 0.000 0.600 187 T N 1.226 115.371 114.554 -0.681 0.000 2.779 187 T HA 0.308 4.658 4.350 0.000 0.000 0.280 187 T C -0.539 173.401 174.700 -1.267 0.000 0.987 187 T CA -0.411 61.115 62.100 -0.956 0.000 0.966 187 T CB 1.133 69.171 68.868 -1.383 0.000 0.933 187 T HN 0.231 nan 8.240 nan 0.000 0.442 188 W N 1.841 122.897 121.300 -0.407 0.000 2.962 188 W HA 0.622 5.283 4.660 0.000 0.000 0.341 188 W C 0.529 176.950 176.519 -0.164 0.000 1.155 188 W CA -0.786 56.435 57.345 -0.206 0.000 1.165 188 W CB 1.106 30.431 29.460 -0.224 0.000 1.435 188 W HN 0.473 nan 8.180 nan 0.000 0.546 189 I N 0.665 121.350 120.570 0.191 0.000 3.194 189 I HA 0.102 4.272 4.170 0.000 0.000 0.271 189 I C 0.097 176.237 176.117 0.038 0.000 1.150 189 I CA 0.267 61.611 61.300 0.074 0.000 1.440 189 I CB 0.110 38.155 38.000 0.076 0.000 1.276 189 I HN 0.314 nan 8.210 nan 0.000 0.457 190 N N 0.219 118.977 118.700 0.097 0.000 2.400 190 N HA 0.312 5.052 4.740 0.000 0.000 0.288 190 N C -0.879 174.579 175.510 -0.087 0.000 1.024 190 N CA -0.261 52.783 53.050 -0.011 0.000 0.894 190 N CB 2.582 41.060 38.487 -0.014 0.000 1.173 190 N HN -0.110 nan 8.380 nan 0.000 0.487 191 V N 4.045 123.790 119.914 -0.281 0.000 2.432 191 V HA 0.493 4.613 4.120 0.000 0.000 0.271 191 V C -2.219 173.541 176.094 -0.558 0.000 1.046 191 V CA -1.625 60.360 62.300 -0.524 0.000 0.945 191 V CB 0.538 31.986 31.823 -0.625 0.000 0.992 191 V HN 0.594 nan 8.190 nan 0.000 0.471 192 P HA 0.313 nan 4.420 nan 0.000 0.271 192 P C -2.315 174.727 177.300 -0.430 0.000 1.216 192 P CA -1.731 60.957 63.100 -0.686 0.000 0.776 192 P CB 0.433 31.554 31.700 -0.964 0.000 0.881 193 P HA -0.275 nan 4.420 nan 0.000 0.218 193 P C 1.280 178.493 177.300 -0.144 0.000 1.154 193 P CA 2.334 65.334 63.100 -0.167 0.000 0.872 193 P CB -0.495 31.133 31.700 -0.120 0.000 0.790 194 A N -0.569 122.154 122.820 -0.161 0.000 2.121 194 A HA -0.154 4.166 4.320 0.000 0.000 0.218 194 A C 2.008 179.533 177.584 -0.098 0.000 1.154 194 A CA 1.274 53.249 52.037 -0.103 0.000 0.679 194 A CB -0.692 18.262 19.000 -0.076 0.000 0.795 194 A HN 0.139 nan 8.150 nan 0.000 0.458 195 E N -0.559 119.531 120.200 -0.184 0.000 2.452 195 E HA -0.022 4.328 4.350 0.000 0.000 0.197 195 E C 1.389 177.926 176.600 -0.105 0.000 1.022 195 E CA 0.157 56.467 56.400 -0.150 0.000 0.890 195 E CB -0.030 29.488 29.700 -0.303 0.000 0.918 195 E HN 0.742 nan 8.360 nan 0.000 0.496 196 E N 1.701 121.835 120.200 -0.109 0.000 2.086 196 E HA -0.244 4.107 4.350 0.000 0.000 0.200 196 E C 2.106 178.707 176.600 0.001 0.000 1.012 196 E CA 1.801 58.175 56.400 -0.043 0.000 0.812 196 E CB -0.062 29.608 29.700 -0.050 0.000 0.743 196 E HN 0.167 nan 8.360 nan 0.000 0.453 197 K N 0.458 120.856 120.400 -0.002 0.000 2.209 197 K HA -0.150 4.170 4.320 0.000 0.000 0.204 197 K C 0.800 177.416 176.600 0.026 0.000 1.048 197 K CA 1.798 58.096 56.287 0.019 0.000 0.940 197 K CB -0.176 32.335 32.500 0.018 0.000 0.729 197 K HN 0.080 nan 8.250 nan 0.000 0.451 198 N N -0.250 118.462 118.700 0.021 0.000 2.336 198 N HA -0.036 4.704 4.740 0.000 0.000 0.189 198 N C -0.758 174.792 175.510 0.068 0.000 1.113 198 N CA -0.248 52.818 53.050 0.027 0.000 0.858 198 N CB 0.141 38.625 38.487 -0.004 0.000 0.970 198 N HN 0.153 nan 8.380 nan 0.000 0.471 199 Y N 2.523 122.752 120.300 -0.119 0.000 2.425 199 Y HA 0.549 5.099 4.550 0.000 0.000 0.347 199 Y C 0.185 176.003 175.900 -0.137 0.000 0.976 199 Y CA -2.198 55.805 58.100 -0.162 0.000 1.190 199 Y CB -0.494 37.804 38.460 -0.269 0.000 1.136 199 Y HN 0.008 nan 8.280 nan 0.000 0.517 200 A N 5.683 128.512 122.820 0.016 0.000 2.429 200 A HA 0.195 4.515 4.320 0.000 0.000 0.242 200 A C -0.767 176.719 177.584 -0.162 0.000 1.088 200 A CA -0.139 51.850 52.037 -0.079 0.000 0.784 200 A CB 0.151 19.054 19.000 -0.162 0.000 1.038 200 A HN 0.887 nan 8.150 nan 0.000 0.501 201 W N -0.432 120.725 121.300 -0.238 0.000 2.516 201 W HA 0.532 5.192 4.660 0.000 0.000 0.343 201 W C 0.734 176.685 176.519 -0.947 0.000 1.094 201 W CA 0.232 57.187 57.345 -0.650 0.000 1.250 201 W CB 1.514 30.515 29.460 -0.765 0.000 1.308 201 W HN 0.955 nan 8.180 nan 0.000 0.588 202 G N 0.677 109.042 108.800 -0.726 0.000 2.477 202 G HA2 0.532 4.493 3.960 0.000 0.000 0.304 202 G HA3 0.532 4.493 3.960 0.000 0.000 0.304 202 G C -2.219 172.097 174.900 -0.974 0.000 1.175 202 G CA -0.390 44.037 45.100 -1.123 0.000 0.907 202 G HN 0.371 nan 8.290 nan 0.000 0.509 203 Y N -0.431 119.744 120.300 -0.208 0.000 2.373 203 Y HA 0.582 5.132 4.550 0.000 0.000 0.336 203 Y C 0.332 176.209 175.900 -0.038 0.000 0.979 203 Y CA -0.888 57.155 58.100 -0.096 0.000 1.080 203 Y CB 2.323 40.736 38.460 -0.077 0.000 1.190 203 Y HN 0.503 nan 8.280 nan 0.000 0.446 204 R N 3.247 123.814 120.500 0.112 0.000 2.510 204 R HA 0.273 4.613 4.340 0.000 0.000 0.294 204 R C -0.871 175.473 176.300 0.073 0.000 1.056 204 R CA -0.297 55.855 56.100 0.088 0.000 0.918 204 R CB 0.842 31.179 30.300 0.062 0.000 1.187 204 R HN 0.889 nan 8.270 nan 0.000 0.437 205 E N 2.511 122.750 120.200 0.066 0.000 2.513 205 E HA -0.215 4.136 4.350 0.000 0.000 0.257 205 E C 0.377 176.999 176.600 0.036 0.000 1.098 205 E CA 0.976 57.400 56.400 0.041 0.000 0.752 205 E CB -1.508 28.209 29.700 0.029 0.000 1.324 205 E HN 1.185 nan 8.360 nan 0.000 0.403 206 G N 0.285 109.118 108.800 0.055 0.000 2.179 206 G HA2 -0.363 3.597 3.960 0.000 0.000 0.257 206 G HA3 -0.363 3.597 3.960 0.000 0.000 0.257 206 G C 0.104 175.047 174.900 0.071 0.000 1.010 206 G CA 1.201 46.325 45.100 0.041 0.000 0.736 206 G HN 0.344 nan 8.290 nan 0.000 0.513 207 K N -0.209 120.249 120.400 0.096 0.000 2.207 207 K HA 0.753 5.073 4.320 0.000 0.000 0.255 207 K C 0.077 176.667 176.600 -0.016 0.000 0.941 207 K CA -0.294 56.008 56.287 0.025 0.000 0.825 207 K CB 2.234 34.722 32.500 -0.019 0.000 1.119 207 K HN 0.492 nan 8.250 nan 0.000 0.430 208 A N 2.045 124.742 122.820 -0.206 0.000 2.309 208 A HA 0.494 4.814 4.320 0.000 0.000 0.290 208 A C -0.046 177.314 177.584 -0.374 0.000 1.206 208 A CA -0.490 51.209 52.037 -0.565 0.000 0.850 208 A CB -0.015 18.428 19.000 -0.928 0.000 1.118 208 A HN 0.565 nan 8.150 nan 0.000 0.523 209 V N 0.798 120.589 119.914 -0.205 0.000 3.049 209 V HA 0.661 4.781 4.120 0.000 0.000 0.309 209 V C -0.800 175.348 176.094 0.090 0.000 1.148 209 V CA -0.831 61.493 62.300 0.039 0.000 0.990 209 V CB 1.259 33.107 31.823 0.042 0.000 1.039 209 V HN 0.942 nan 8.190 nan 0.000 0.430 210 H N 0.541 119.791 119.070 0.299 0.000 2.569 210 H HA 0.678 5.234 4.556 0.000 0.000 0.357 210 H C -0.234 175.223 175.328 0.214 0.000 1.153 210 H CA -0.841 55.335 56.048 0.213 0.000 1.193 210 H CB 2.161 31.934 29.762 0.020 0.000 1.602 210 H HN 0.853 nan 8.280 nan 0.000 0.523 211 V N 2.704 122.843 119.914 0.375 0.000 2.843 211 V HA -0.074 4.046 4.120 0.000 0.000 0.305 211 V C -0.132 176.094 176.094 0.220 0.000 1.120 211 V CA 0.574 63.027 62.300 0.255 0.000 1.254 211 V CB 0.586 32.547 31.823 0.229 0.000 0.901 211 V HN 0.767 nan 8.190 nan 0.000 0.503 212 S N 7.785 123.594 115.700 0.181 0.000 2.601 212 S HA 0.479 4.949 4.470 0.000 0.000 0.271 212 S C -2.262 172.441 174.600 0.172 0.000 1.305 212 S CA -0.710 57.583 58.200 0.155 0.000 1.022 212 S CB 1.112 64.382 63.200 0.117 0.000 0.940 212 S HN 0.873 nan 8.310 nan 0.000 0.525 213 P HA 0.453 nan 4.420 nan 0.000 0.269 213 P C -0.176 177.192 177.300 0.112 0.000 1.215 213 P CA -0.207 62.953 63.100 0.100 0.000 0.780 213 P CB 0.392 32.127 31.700 0.058 0.000 0.898 214 G N -0.560 108.292 108.800 0.088 0.000 2.646 214 G HA2 0.546 4.506 3.960 0.000 0.000 0.291 214 G HA3 0.546 4.506 3.960 0.000 0.000 0.291 214 G C -1.431 173.462 174.900 -0.013 0.000 1.445 214 G CA -0.440 44.708 45.100 0.080 0.000 0.814 214 G HN 0.518 nan 8.290 nan 0.000 0.495 215 A N 0.241 123.043 122.820 -0.030 0.000 2.511 215 A HA 0.555 4.875 4.320 0.000 0.000 0.242 215 A C 1.415 178.932 177.584 -0.113 0.000 1.069 215 A CA 0.648 52.640 52.037 -0.074 0.000 0.763 215 A CB -0.401 18.546 19.000 -0.089 0.000 1.001 215 A HN 1.766 nan 8.150 nan 0.000 0.498 216 L N 0.303 121.426 121.223 -0.166 0.000 4.496 216 L HA -0.310 4.030 4.340 0.000 0.000 0.419 216 L C 1.168 177.796 176.870 -0.404 0.000 1.139 216 L CA 0.772 55.468 54.840 -0.240 0.000 0.975 216 L CB -1.879 40.100 42.059 -0.133 0.000 2.099 216 L HN 0.988 nan 8.230 nan 0.000 0.818 217 D N 0.331 120.454 120.400 -0.461 0.000 2.117 217 D HA -0.097 4.543 4.640 0.000 0.000 0.198 217 D C 1.971 177.825 176.300 -0.743 0.000 0.982 217 D CA 1.347 54.784 54.000 -0.939 0.000 0.828 217 D CB -0.141 40.295 40.800 -0.606 0.000 0.967 217 D HN 0.418 nan 8.370 nan 0.000 0.464 218 A N 1.069 123.640 122.820 -0.415 0.000 1.873 218 A HA -0.277 4.043 4.320 0.000 0.000 0.218 218 A C 2.161 179.548 177.584 -0.328 0.000 1.193 218 A CA 2.276 54.161 52.037 -0.254 0.000 0.629 218 A CB -0.852 18.097 19.000 -0.085 0.000 0.826 218 A HN 0.225 nan 8.150 nan 0.000 0.447 219 E N -0.248 119.555 120.200 -0.661 0.000 2.110 219 E HA 0.031 4.381 4.350 0.000 0.000 0.193 219 E C 2.072 178.485 176.600 -0.311 0.000 0.988 219 E CA 1.435 57.350 56.400 -0.808 0.000 0.804 219 E CB -0.338 28.801 29.700 -0.936 0.000 0.745 219 E HN 0.614 nan 8.360 nan 0.000 0.458 220 A N -0.257 122.387 122.820 -0.294 0.000 1.956 220 A HA 0.052 4.372 4.320 0.000 0.000 0.212 220 A C 0.752 178.423 177.584 0.145 0.000 1.188 220 A CA 0.826 52.841 52.037 -0.037 0.000 0.675 220 A CB -0.063 18.997 19.000 0.099 0.000 0.845 220 A HN 0.427 nan 8.150 nan 0.000 0.455 221 Y N -4.003 116.319 120.300 0.036 0.000 2.990 221 Y HA 0.500 5.050 4.550 0.000 0.000 0.240 221 Y C 0.878 176.803 175.900 0.042 0.000 1.060 221 Y CA -0.551 57.588 58.100 0.064 0.000 1.167 221 Y CB -0.460 38.046 38.460 0.076 0.000 1.242 221 Y HN -0.014 nan 8.280 nan 0.000 0.650 222 G N 0.579 109.340 108.800 -0.064 0.000 3.042 222 G HA2 0.300 4.260 3.960 0.000 0.000 0.212 222 G HA3 0.300 4.260 3.960 0.000 0.000 0.212 222 G C 0.002 174.899 174.900 -0.006 0.000 1.166 222 G CA 0.197 45.271 45.100 -0.044 0.000 0.767 222 G HN 0.155 nan 8.290 nan 0.000 0.546 223 V N 0.171 120.087 119.914 0.003 0.000 2.644 223 V HA 0.452 4.573 4.120 0.000 0.000 0.295 223 V C -0.255 175.774 176.094 -0.108 0.000 1.053 223 V CA -0.591 61.657 62.300 -0.086 0.000 0.987 223 V CB 1.635 33.337 31.823 -0.201 0.000 1.006 223 V HN 0.112 nan 8.190 nan 0.000 0.472 224 K N 1.914 122.209 120.400 -0.175 0.000 2.345 224 K HA 0.755 5.075 4.320 0.000 0.000 0.255 224 K C -0.609 175.892 176.600 -0.166 0.000 0.934 224 K CA -0.086 56.097 56.287 -0.173 0.000 0.801 224 K CB 2.001 34.306 32.500 -0.324 0.000 1.137 224 K HN 0.740 nan 8.250 nan 0.000 0.424 225 S N 0.428 116.103 115.700 -0.041 0.000 2.656 225 S HA 0.605 5.075 4.470 0.000 0.000 0.273 225 S C -1.160 173.535 174.600 0.159 0.000 1.168 225 S CA -0.682 57.499 58.200 -0.033 0.000 0.817 225 S CB 1.166 64.284 63.200 -0.137 0.000 1.146 225 S HN 0.656 nan 8.310 nan 0.000 0.475 226 T N -0.199 114.433 114.554 0.129 0.000 2.948 226 T HA 0.528 4.878 4.350 0.000 0.000 0.285 226 T C 1.414 176.225 174.700 0.185 0.000 1.019 226 T CA -0.428 61.788 62.100 0.193 0.000 1.013 226 T CB 0.545 69.471 68.868 0.097 0.000 1.117 226 T HN 0.499 nan 8.240 nan 0.000 0.533 227 I N -0.464 120.224 120.570 0.196 0.000 2.500 227 I HA 0.119 4.289 4.170 0.000 0.000 0.252 227 I C 2.377 178.632 176.117 0.230 0.000 1.142 227 I CA 0.834 62.272 61.300 0.230 0.000 1.451 227 I CB -0.996 37.183 38.000 0.299 0.000 1.093 227 I HN 0.703 nan 8.210 nan 0.000 0.430 228 E N 1.279 121.489 120.200 0.017 0.000 2.072 228 E HA -0.205 4.145 4.350 0.000 0.000 0.191 228 E C 1.618 178.291 176.600 0.122 0.000 0.985 228 E CA 1.462 57.831 56.400 -0.052 0.000 0.801 228 E CB -0.158 29.410 29.700 -0.220 0.000 0.750 228 E HN 0.502 nan 8.360 nan 0.000 0.452 229 D N 0.206 120.663 120.400 0.095 0.000 2.117 229 D HA -0.126 4.514 4.640 0.000 0.000 0.197 229 D C 1.864 178.278 176.300 0.190 0.000 0.987 229 D CA 0.930 54.987 54.000 0.094 0.000 0.829 229 D CB -0.058 40.734 40.800 -0.012 0.000 0.961 229 D HN 0.111 nan 8.370 nan 0.000 0.460 230 M N 0.367 120.102 119.600 0.226 0.000 2.279 230 M HA -0.040 4.441 4.480 0.000 0.000 0.264 230 M C 2.177 178.681 176.300 0.340 0.000 1.062 230 M CA 0.561 56.059 55.300 0.330 0.000 1.099 230 M CB -0.843 31.940 32.600 0.304 0.000 1.394 230 M HN -0.040 nan 8.290 nan 0.000 0.426 231 A N 0.401 123.396 122.820 0.291 0.000 1.845 231 A HA -0.182 4.138 4.320 0.000 0.000 0.215 231 A C 2.387 180.067 177.584 0.161 0.000 1.195 231 A CA 1.678 53.857 52.037 0.236 0.000 0.616 231 A CB -0.738 18.477 19.000 0.358 0.000 0.832 231 A HN 0.397 nan 8.150 nan 0.000 0.443 232 R N -1.451 119.160 120.500 0.185 0.000 2.103 232 R HA -0.212 4.128 4.340 0.000 0.000 0.242 232 R C 2.199 178.610 176.300 0.185 0.000 1.142 232 R CA 1.739 57.925 56.100 0.144 0.000 0.960 232 R CB -0.436 29.947 30.300 0.138 0.000 0.858 232 R HN 0.857 nan 8.270 nan 0.000 0.439 233 W N 0.694 122.034 121.300 0.067 0.000 2.318 233 W HA -0.278 4.382 4.660 0.000 0.000 0.313 233 W C 1.596 178.094 176.519 -0.034 0.000 1.221 233 W CA 1.409 58.804 57.345 0.083 0.000 1.266 233 W CB -0.137 29.436 29.460 0.189 0.000 1.150 233 W HN -0.032 nan 8.180 nan 0.000 0.496 234 V N 0.933 120.826 119.914 -0.035 0.000 2.261 234 V HA -0.355 3.765 4.120 0.000 0.000 0.246 234 V C 2.334 178.129 176.094 -0.497 0.000 1.047 234 V CA 2.402 64.488 62.300 -0.357 0.000 1.015 234 V CB -1.196 30.524 31.823 -0.173 0.000 0.642 234 V HN 0.224 nan 8.190 nan 0.000 0.446 235 Q N -0.097 119.547 119.800 -0.260 0.000 2.061 235 Q HA -0.199 4.141 4.340 0.000 0.000 0.204 235 Q C 2.495 178.314 176.000 -0.301 0.000 0.984 235 Q CA 2.231 57.880 55.803 -0.256 0.000 0.846 235 Q CB -0.283 28.378 28.738 -0.128 0.000 0.902 235 Q HN 0.657 nan 8.270 nan 0.000 0.421 236 S N 0.946 116.505 115.700 -0.235 0.000 2.359 236 S HA -0.203 4.268 4.470 0.000 0.000 0.223 236 S C 1.561 175.940 174.600 -0.369 0.000 1.039 236 S CA 1.489 59.559 58.200 -0.216 0.000 1.042 236 S CB -0.525 62.612 63.200 -0.105 0.000 0.915 236 S HN 0.420 nan 8.310 nan 0.000 0.439 237 N N 0.926 119.249 118.700 -0.629 0.000 2.205 237 N HA -0.061 4.679 4.740 0.000 0.000 0.186 237 N C 1.480 176.464 175.510 -0.877 0.000 1.015 237 N CA 0.852 53.388 53.050 -0.856 0.000 0.862 237 N CB -0.281 37.447 38.487 -1.265 0.000 0.986 237 N HN 0.179 nan 8.380 nan 0.000 0.429 238 L N 1.216 121.921 121.223 -0.862 0.000 2.093 238 L HA -0.056 4.284 4.340 0.000 0.000 0.208 238 L C 0.629 177.301 176.870 -0.330 0.000 1.085 238 L CA 1.702 56.185 54.840 -0.595 0.000 0.755 238 L CB -0.096 41.687 42.059 -0.460 0.000 0.904 238 L HN 0.139 nan 8.230 nan 0.000 0.435 239 K N -1.024 119.206 120.400 -0.285 0.000 2.920 239 K HA 0.302 4.622 4.320 0.000 0.000 0.175 239 K C -2.252 174.258 176.600 -0.150 0.000 1.099 239 K CA -1.337 54.840 56.287 -0.183 0.000 0.939 239 K CB 1.008 33.421 32.500 -0.145 0.000 1.148 239 K HN -0.086 nan 8.250 nan 0.000 0.613 240 P HA -0.175 nan 4.420 nan 0.000 0.217 240 P C 1.278 178.536 177.300 -0.069 0.000 1.148 240 P CA 0.882 63.918 63.100 -0.106 0.000 0.828 240 P CB 0.208 31.851 31.700 -0.094 0.000 0.783 241 L N -0.533 120.649 121.223 -0.069 0.000 2.447 241 L HA -0.135 4.205 4.340 0.000 0.000 0.225 241 L C 1.403 178.246 176.870 -0.045 0.000 1.148 241 L CA 1.236 56.045 54.840 -0.050 0.000 0.808 241 L CB -0.732 41.298 42.059 -0.048 0.000 0.928 241 L HN -0.053 nan 8.230 nan 0.000 0.448 242 D N -0.381 119.987 120.400 -0.053 0.000 2.350 242 D HA 0.159 4.799 4.640 0.000 0.000 0.213 242 D C 0.625 176.906 176.300 -0.032 0.000 1.031 242 D CA 0.269 54.242 54.000 -0.044 0.000 0.861 242 D CB 0.239 41.007 40.800 -0.053 0.000 0.926 242 D HN 0.197 nan 8.370 nan 0.000 0.520 243 I N 2.240 122.793 120.570 -0.029 0.000 2.471 243 I HA -0.011 4.159 4.170 0.000 0.000 0.286 243 I C 1.603 177.715 176.117 -0.008 0.000 1.079 243 I CA -0.424 60.869 61.300 -0.012 0.000 1.398 243 I CB 0.694 38.694 38.000 -0.000 0.000 1.403 243 I HN -0.165 nan 8.210 nan 0.000 0.530 244 N N 5.587 124.284 118.700 -0.004 0.000 2.018 244 N HA -0.169 4.571 4.740 0.000 0.000 0.196 244 N C 0.154 175.663 175.510 -0.002 0.000 1.043 244 N CA 1.201 54.248 53.050 -0.004 0.000 0.856 244 N CB -0.468 38.017 38.487 -0.002 0.000 1.042 244 N HN 0.590 nan 8.380 nan 0.000 0.423 245 E N 2.416 122.618 120.200 0.003 0.000 2.383 245 E HA -0.061 4.289 4.350 0.000 0.000 0.257 245 E C 1.164 177.768 176.600 0.006 0.000 1.079 245 E CA 0.006 56.408 56.400 0.005 0.000 0.934 245 E CB 0.958 30.664 29.700 0.010 0.000 0.978 245 E HN 0.438 nan 8.360 nan 0.000 0.462 246 K N 3.329 123.730 120.400 0.002 0.000 2.063 246 K HA -0.190 4.130 4.320 0.000 0.000 0.208 246 K C 1.460 178.066 176.600 0.010 0.000 1.048 246 K CA 2.053 58.342 56.287 0.003 0.000 0.928 246 K CB -0.254 32.246 32.500 0.000 0.000 0.713 246 K HN 0.469 nan 8.250 nan 0.000 0.442 247 T N -0.083 114.477 114.554 0.011 0.000 2.904 247 T HA -0.100 4.250 4.350 0.000 0.000 0.267 247 T C 1.959 176.678 174.700 0.031 0.000 1.059 247 T CA 0.729 62.839 62.100 0.018 0.000 1.137 247 T CB -0.180 68.694 68.868 0.009 0.000 0.879 247 T HN 0.153 nan 8.240 nan 0.000 0.467 248 L N 1.564 122.807 121.223 0.033 0.000 2.044 248 L HA 0.091 4.431 4.340 0.000 0.000 0.205 248 L C 2.793 179.698 176.870 0.057 0.000 1.075 248 L CA 1.838 56.714 54.840 0.059 0.000 0.747 248 L CB -1.294 40.803 42.059 0.063 0.000 0.903 248 L HN 0.422 nan 8.230 nan 0.000 0.435 249 Q N -0.969 118.850 119.800 0.032 0.000 2.112 249 Q HA -0.319 4.021 4.340 0.000 0.000 0.206 249 Q C 2.197 178.207 176.000 0.018 0.000 0.987 249 Q CA 2.409 58.221 55.803 0.015 0.000 0.858 249 Q CB -0.086 28.653 28.738 0.002 0.000 0.905 249 Q HN 0.619 nan 8.270 nan 0.000 0.420 250 Q N -0.600 119.215 119.800 0.027 0.000 2.096 250 Q HA -0.002 4.338 4.340 0.000 0.000 0.197 250 Q C 1.979 178.014 176.000 0.060 0.000 0.964 250 Q CA 1.400 57.222 55.803 0.033 0.000 0.838 250 Q CB -0.430 28.326 28.738 0.031 0.000 0.906 250 Q HN 0.581 nan 8.270 nan 0.000 0.444 251 G N 0.865 109.710 108.800 0.074 0.000 2.529 251 G HA2 -0.318 3.642 3.960 0.000 0.000 0.219 251 G HA3 -0.318 3.642 3.960 0.000 0.000 0.219 251 G C 1.357 176.338 174.900 0.136 0.000 1.177 251 G CA 1.254 46.420 45.100 0.110 0.000 0.773 251 G HN 0.326 nan 8.290 nan 0.000 0.573 252 I N 0.779 121.416 120.570 0.113 0.000 2.068 252 I HA -0.318 3.852 4.170 0.000 0.000 0.238 252 I C 3.099 179.265 176.117 0.082 0.000 1.046 252 I CA 2.017 63.377 61.300 0.100 0.000 1.306 252 I CB -0.361 37.649 38.000 0.017 0.000 1.023 252 I HN 0.291 nan 8.210 nan 0.000 0.399 253 Q N 0.138 119.959 119.800 0.035 0.000 2.364 253 Q HA -0.152 4.188 4.340 0.000 0.000 0.209 253 Q C 2.186 178.218 176.000 0.054 0.000 0.977 253 Q CA 1.033 56.846 55.803 0.017 0.000 0.885 253 Q CB -0.164 28.570 28.738 -0.007 0.000 0.941 253 Q HN 0.588 nan 8.270 nan 0.000 0.464 254 L N -0.010 121.277 121.223 0.106 0.000 2.095 254 L HA -0.055 4.285 4.340 0.000 0.000 0.204 254 L C 2.413 179.437 176.870 0.256 0.000 1.080 254 L CA 0.830 55.768 54.840 0.163 0.000 0.759 254 L CB -0.605 41.556 42.059 0.170 0.000 0.914 254 L HN 0.231 nan 8.230 nan 0.000 0.439 255 A N -0.621 122.362 122.820 0.271 0.000 2.070 255 A HA -0.183 4.137 4.320 0.000 0.000 0.220 255 A C 1.838 179.678 177.584 0.427 0.000 1.159 255 A CA 1.177 53.448 52.037 0.390 0.000 0.656 255 A CB -0.263 18.997 19.000 0.433 0.000 0.800 255 A HN 0.515 nan 8.150 nan 0.000 0.453 256 Q N -0.022 119.915 119.800 0.228 0.000 2.189 256 Q HA 0.239 4.580 4.340 0.000 0.000 0.221 256 Q C -0.495 175.496 176.000 -0.014 0.000 0.848 256 Q CA -0.302 55.550 55.803 0.081 0.000 1.007 256 Q CB 0.586 29.286 28.738 -0.064 0.000 1.116 256 Q HN 0.441 nan 8.270 nan 0.000 0.481 257 S N 0.694 116.367 115.700 -0.045 0.000 2.616 257 S HA 0.397 4.867 4.470 0.000 0.000 0.277 257 S C -0.085 174.232 174.600 -0.472 0.000 1.234 257 S CA -0.608 57.408 58.200 -0.307 0.000 1.028 257 S CB 0.880 63.826 63.200 -0.425 0.000 0.988 257 S HN 0.238 nan 8.310 nan 0.000 0.522 258 R N 1.623 121.843 120.500 -0.465 0.000 2.204 258 R HA 0.256 4.596 4.340 0.000 0.000 0.341 258 R C -0.370 175.694 176.300 -0.393 0.000 1.035 258 R CA -0.137 55.788 56.100 -0.292 0.000 0.887 258 R CB 0.260 30.391 30.300 -0.281 0.000 1.114 258 R HN 0.672 nan 8.270 nan 0.000 0.473 259 Y N 0.650 120.940 120.300 -0.016 0.000 2.397 259 Y HA 0.115 4.665 4.550 0.000 0.000 0.292 259 Y C 0.119 175.749 175.900 -0.450 0.000 1.115 259 Y CA 0.341 58.267 58.100 -0.291 0.000 1.208 259 Y CB 0.410 38.663 38.460 -0.345 0.000 1.046 259 Y HN 0.459 nan 8.280 nan 0.000 0.552 260 W N -0.767 120.699 121.300 0.276 0.000 3.118 260 W HA 0.557 5.217 4.660 0.000 0.000 0.328 260 W C -0.914 175.742 176.519 0.229 0.000 1.239 260 W CA -1.023 56.453 57.345 0.218 0.000 1.176 260 W CB 1.006 30.577 29.460 0.185 0.000 1.433 260 W HN -0.488 nan 8.180 nan 0.000 0.562 261 Q N 1.077 121.128 119.800 0.418 0.000 2.394 261 Q HA 0.655 4.995 4.340 0.000 0.000 0.273 261 Q C -1.315 174.737 176.000 0.086 0.000 1.089 261 Q CA -0.550 55.358 55.803 0.175 0.000 0.812 261 Q CB 2.635 31.450 28.738 0.127 0.000 1.353 261 Q HN 0.497 nan 8.270 nan 0.000 0.438 262 T N 1.918 116.458 114.554 -0.024 0.000 3.348 262 T HA 0.566 4.916 4.350 0.000 0.000 0.328 262 T C 0.108 174.762 174.700 -0.076 0.000 0.913 262 T CA 0.730 62.813 62.100 -0.028 0.000 1.043 262 T CB 0.188 69.055 68.868 -0.002 0.000 1.021 262 T HN 1.066 nan 8.240 nan 0.000 0.461 263 G N 5.327 114.078 108.800 -0.081 0.000 2.509 263 G HA2 -0.236 3.724 3.960 0.000 0.000 0.256 263 G HA3 -0.236 3.724 3.960 0.000 0.000 0.256 263 G C 0.241 175.052 174.900 -0.148 0.000 1.152 263 G CA 0.710 45.755 45.100 -0.093 0.000 0.951 263 G HN 1.008 nan 8.290 nan 0.000 0.559 264 D N 0.129 120.439 120.400 -0.150 0.000 2.369 264 D HA 0.281 4.921 4.640 0.000 0.000 0.211 264 D C 1.171 177.306 176.300 -0.274 0.000 1.077 264 D CA 0.392 54.280 54.000 -0.186 0.000 0.842 264 D CB 0.103 40.838 40.800 -0.109 0.000 0.947 264 D HN 0.596 nan 8.370 nan 0.000 0.509 265 M N 0.685 120.122 119.600 -0.271 0.000 2.478 265 M HA 0.414 4.894 4.480 0.000 0.000 0.327 265 M C -1.625 174.430 176.300 -0.408 0.000 1.187 265 M CA -0.608 54.569 55.300 -0.206 0.000 1.022 265 M CB 1.566 34.166 32.600 0.000 0.000 1.629 265 M HN -0.178 nan 8.290 nan 0.000 0.461 266 Y N 1.586 121.995 120.300 0.182 0.000 2.361 266 Y HA 0.352 4.903 4.550 0.000 0.000 0.337 266 Y C -0.395 175.658 175.900 0.255 0.000 0.965 266 Y CA -0.882 57.337 58.100 0.198 0.000 1.091 266 Y CB 1.447 39.990 38.460 0.138 0.000 1.182 266 Y HN 0.566 nan 8.280 nan 0.000 0.450 267 Q N 2.086 122.162 119.800 0.459 0.000 2.288 267 Q HA 0.582 4.922 4.340 0.000 0.000 0.258 267 Q C -0.023 176.277 176.000 0.499 0.000 0.957 267 Q CA -0.016 56.068 55.803 0.469 0.000 0.919 267 Q CB 1.048 30.086 28.738 0.500 0.000 1.185 267 Q HN 0.910 nan 8.270 nan 0.000 0.408 268 G N 2.260 111.327 108.800 0.444 0.000 2.938 268 G HA2 0.516 4.476 3.960 0.000 0.000 0.258 268 G HA3 0.516 4.476 3.960 0.000 0.000 0.258 268 G C -1.340 173.793 174.900 0.388 0.000 1.356 268 G CA -0.724 44.657 45.100 0.469 0.000 1.052 268 G HN 0.495 nan 8.290 nan 0.000 0.550 269 L N 1.356 122.788 121.223 0.349 0.000 2.268 269 L HA 0.486 4.826 4.340 0.000 0.000 0.289 269 L C 1.440 178.380 176.870 0.117 0.000 1.064 269 L CA 0.949 55.861 54.840 0.121 0.000 0.824 269 L CB -0.106 42.011 42.059 0.097 0.000 1.202 269 L HN 1.172 nan 8.230 nan 0.000 0.433 270 G N 2.436 111.262 108.800 0.043 0.000 4.039 270 G HA2 -0.324 3.636 3.960 0.000 0.000 0.220 270 G HA3 -0.324 3.636 3.960 0.000 0.000 0.220 270 G C 0.366 175.304 174.900 0.063 0.000 1.391 270 G CA 0.161 45.264 45.100 0.005 0.000 0.920 270 G HN 0.474 nan 8.290 nan 0.000 0.599 271 W N 2.185 123.596 121.300 0.186 0.000 2.112 271 W HA 0.543 5.203 4.660 0.000 0.000 0.349 271 W C 0.746 177.377 176.519 0.187 0.000 1.289 271 W CA -0.175 57.264 57.345 0.156 0.000 1.256 271 W CB 0.353 29.880 29.460 0.111 0.000 1.148 271 W HN 0.375 nan 8.180 nan 0.000 0.590 272 E N 1.381 121.867 120.200 0.476 0.000 2.288 272 E HA 0.607 4.957 4.350 0.000 0.000 0.268 272 E C -0.875 175.996 176.600 0.450 0.000 0.885 272 E CA -1.028 55.618 56.400 0.409 0.000 0.767 272 E CB 1.907 31.808 29.700 0.334 0.000 1.220 272 E HN 0.183 nan 8.360 nan 0.000 0.427 273 M N 1.585 121.433 119.600 0.415 0.000 2.618 273 M HA 0.571 5.051 4.480 0.000 0.000 0.281 273 M C -1.537 175.024 176.300 0.435 0.000 1.267 273 M CA -0.476 55.046 55.300 0.369 0.000 0.845 273 M CB 1.645 34.371 32.600 0.209 0.000 1.732 273 M HN 0.332 nan 8.290 nan 0.000 0.461 274 L N 0.026 121.491 121.223 0.402 0.000 2.415 274 L HA 0.578 4.918 4.340 0.000 0.000 0.256 274 L C -0.980 176.113 176.870 0.372 0.000 1.010 274 L CA -0.740 54.322 54.840 0.371 0.000 0.826 274 L CB 1.968 44.160 42.059 0.222 0.000 1.405 274 L HN 0.602 nan 8.230 nan 0.000 0.410 275 D N -0.007 120.602 120.400 0.349 0.000 2.361 275 D HA 0.055 4.695 4.640 0.000 0.000 0.239 275 D C -0.947 175.541 176.300 0.312 0.000 1.200 275 D CA 0.141 54.309 54.000 0.280 0.000 0.915 275 D CB 0.964 41.886 40.800 0.203 0.000 1.170 275 D HN 0.390 nan 8.370 nan 0.000 0.444 276 W N 1.356 122.732 121.300 0.125 0.000 2.785 276 W HA 0.291 4.951 4.660 -0.000 0.000 0.333 276 W C -2.606 173.973 176.519 0.099 0.000 1.062 276 W CA -1.967 55.464 57.345 0.144 0.000 1.233 276 W CB 1.491 31.049 29.460 0.164 0.000 1.413 276 W HN 0.144 nan 8.180 nan 0.000 0.489 277 P HA 0.079 nan 4.420 nan 0.000 0.271 277 P C -0.422 176.497 177.300 -0.635 0.000 1.216 277 P CA -0.049 62.221 63.100 -1.383 0.000 0.771 277 P CB 1.496 32.631 31.700 -0.941 0.000 0.864 278 V N 2.623 122.164 119.914 -0.621 0.000 3.036 278 V HA 0.280 4.400 4.120 0.000 0.000 0.308 278 V C 0.175 176.003 176.094 -0.444 0.000 1.070 278 V CA -0.664 61.452 62.300 -0.305 0.000 1.056 278 V CB 1.377 33.102 31.823 -0.164 0.000 1.084 278 V HN 0.609 nan 8.190 nan 0.000 0.471 279 N N 4.858 123.314 118.700 -0.408 0.000 2.485 279 N HA 0.435 5.176 4.740 0.000 0.000 0.243 279 N C -1.945 173.212 175.510 -0.588 0.000 0.987 279 N CA -2.208 50.581 53.050 -0.436 0.000 0.940 279 N CB 1.676 39.991 38.487 -0.287 0.000 1.122 279 N HN 0.278 nan 8.380 nan 0.000 0.509 280 P HA -0.140 nan 4.420 nan 0.000 0.216 280 P C 0.566 177.496 177.300 -0.617 0.000 1.150 280 P CA 1.157 63.612 63.100 -1.074 0.000 0.843 280 P CB 0.432 31.209 31.700 -1.537 0.000 0.787 281 D N -0.378 119.755 120.400 -0.445 0.000 2.087 281 D HA -0.141 4.499 4.640 0.000 0.000 0.192 281 D C 2.171 178.327 176.300 -0.240 0.000 0.993 281 D CA 2.209 56.038 54.000 -0.285 0.000 0.828 281 D CB -0.513 40.157 40.800 -0.216 0.000 0.968 281 D HN 0.237 nan 8.370 nan 0.000 0.448 282 S N 1.763 117.320 115.700 -0.238 0.000 2.374 282 S HA -0.191 4.279 4.470 0.000 0.000 0.227 282 S C 2.373 176.871 174.600 -0.170 0.000 1.037 282 S CA 1.398 59.490 58.200 -0.181 0.000 1.024 282 S CB -0.923 62.176 63.200 -0.168 0.000 0.861 282 S HN 0.496 nan 8.310 nan 0.000 0.456 283 I N -0.082 120.331 120.570 -0.261 0.000 2.353 283 I HA -0.020 4.150 4.170 0.000 0.000 0.248 283 I C 2.262 178.302 176.117 -0.129 0.000 1.119 283 I CA 1.347 62.526 61.300 -0.202 0.000 1.417 283 I CB -0.684 37.094 38.000 -0.371 0.000 1.078 283 I HN 0.252 nan 8.210 nan 0.000 0.421 284 I N 2.571 123.021 120.570 -0.201 0.000 2.202 284 I HA -0.246 3.924 4.170 0.000 0.000 0.242 284 I C 2.436 178.493 176.117 -0.100 0.000 1.091 284 I CA 1.458 62.671 61.300 -0.144 0.000 1.368 284 I CB -0.663 37.237 38.000 -0.167 0.000 1.058 284 I HN 0.310 nan 8.210 nan 0.000 0.410 285 N N 1.100 119.736 118.700 -0.108 0.000 2.270 285 N HA -0.084 4.656 4.740 0.000 0.000 0.181 285 N C 1.972 177.444 175.510 -0.063 0.000 1.016 285 N CA 1.477 54.478 53.050 -0.081 0.000 0.870 285 N CB -0.688 37.748 38.487 -0.085 0.000 0.979 285 N HN 0.420 nan 8.380 nan 0.000 0.431 286 G N 1.340 110.107 108.800 -0.056 0.000 2.432 286 G HA2 -0.259 3.701 3.960 0.000 0.000 0.219 286 G HA3 -0.259 3.701 3.960 0.000 0.000 0.219 286 G C 1.678 176.563 174.900 -0.025 0.000 1.135 286 G CA 1.287 46.368 45.100 -0.031 0.000 0.767 286 G HN 0.507 nan 8.290 nan 0.000 0.550 287 S N -0.161 115.528 115.700 -0.019 0.000 2.500 287 S HA -0.049 4.421 4.470 0.000 0.000 0.239 287 S C 0.711 175.273 174.600 -0.065 0.000 0.989 287 S CA 0.692 58.874 58.200 -0.029 0.000 0.951 287 S CB -0.158 63.018 63.200 -0.040 0.000 0.759 287 S HN 0.370 nan 8.310 nan 0.000 0.523 288 D N 1.400 121.764 120.400 -0.061 0.000 2.383 288 D HA 0.244 4.884 4.640 0.000 0.000 0.252 288 D C 0.942 177.198 176.300 -0.074 0.000 1.166 288 D CA 0.023 53.986 54.000 -0.063 0.000 0.879 288 D CB 0.294 41.064 40.800 -0.050 0.000 1.164 288 D HN 0.254 nan 8.370 nan 0.000 0.462 289 N N 2.278 120.930 118.700 -0.080 0.000 2.184 289 N HA -0.244 4.496 4.740 0.000 0.000 0.190 289 N C 1.083 176.554 175.510 -0.065 0.000 1.011 289 N CA 0.979 53.975 53.050 -0.089 0.000 0.867 289 N CB 0.113 38.556 38.487 -0.073 0.000 0.993 289 N HN 0.394 nan 8.380 nan 0.000 0.433 290 K N 0.332 120.704 120.400 -0.047 0.000 2.152 290 K HA -0.068 4.252 4.320 0.000 0.000 0.206 290 K C 1.669 178.247 176.600 -0.037 0.000 1.048 290 K CA 0.912 57.179 56.287 -0.033 0.000 0.933 290 K CB 0.122 32.606 32.500 -0.026 0.000 0.721 290 K HN 0.276 nan 8.250 nan 0.000 0.447 291 I N -0.485 120.055 120.570 -0.049 0.000 2.685 291 I HA -0.048 4.122 4.170 0.000 0.000 0.251 291 I C 2.271 178.350 176.117 -0.063 0.000 1.102 291 I CA 0.405 61.675 61.300 -0.049 0.000 1.442 291 I CB -0.222 37.749 38.000 -0.048 0.000 1.194 291 I HN 0.076 nan 8.210 nan 0.000 0.448 292 A N 1.342 124.109 122.820 -0.089 0.000 1.927 292 A HA -0.203 4.118 4.320 0.000 0.000 0.220 292 A C 2.117 179.598 177.584 -0.172 0.000 1.185 292 A CA 1.713 53.663 52.037 -0.145 0.000 0.639 292 A CB -0.896 17.983 19.000 -0.201 0.000 0.820 292 A HN 0.460 nan 8.150 nan 0.000 0.451 293 L N -1.140 120.006 121.223 -0.128 0.000 2.558 293 L HA 0.222 4.562 4.340 0.000 0.000 0.225 293 L C 1.265 178.138 176.870 0.005 0.000 1.128 293 L CA -0.016 54.787 54.840 -0.062 0.000 0.868 293 L CB -0.489 41.546 42.059 -0.040 0.000 1.006 293 L HN 0.375 nan 8.230 nan 0.000 0.454 294 A N 0.894 123.707 122.820 -0.012 0.000 2.388 294 A HA 0.619 4.939 4.320 0.000 0.000 0.257 294 A C 0.527 178.102 177.584 -0.016 0.000 1.095 294 A CA -0.184 51.853 52.037 0.001 0.000 0.791 294 A CB 0.380 19.370 19.000 -0.017 0.000 1.029 294 A HN 0.214 nan 8.150 nan 0.000 0.489 295 A N 1.827 124.638 122.820 -0.014 0.000 2.445 295 A HA 0.600 4.920 4.320 0.000 0.000 0.242 295 A C 0.450 177.928 177.584 -0.178 0.000 1.075 295 A CA 0.119 52.075 52.037 -0.134 0.000 0.777 295 A CB 0.158 18.973 19.000 -0.308 0.000 1.013 295 A HN 0.813 nan 8.150 nan 0.000 0.493 296 R N 0.774 121.139 120.500 -0.225 0.000 2.651 296 R HA 0.551 4.892 4.340 0.000 0.000 0.278 296 R C -3.081 173.071 176.300 -0.248 0.000 1.010 296 R CA -1.966 54.019 56.100 -0.191 0.000 0.896 296 R CB 2.102 32.335 30.300 -0.111 0.000 1.211 296 R HN 0.473 nan 8.270 nan 0.000 0.456 297 P HA 0.087 nan 4.420 nan 0.000 0.276 297 P C -0.579 176.645 177.300 -0.128 0.000 1.235 297 P CA -0.270 62.708 63.100 -0.203 0.000 0.772 297 P CB 0.777 32.394 31.700 -0.138 0.000 0.871 298 V N 1.120 120.955 119.914 -0.132 0.000 2.713 298 V HA 0.584 4.704 4.120 0.000 0.000 0.307 298 V C 0.140 176.305 176.094 0.119 0.000 1.052 298 V CA -0.981 61.306 62.300 -0.022 0.000 0.967 298 V CB 1.736 33.453 31.823 -0.177 0.000 1.019 298 V HN 0.492 nan 8.190 nan 0.000 0.459 299 K N 2.555 123.094 120.400 0.231 0.000 2.221 299 K HA 0.782 5.102 4.320 0.000 0.000 0.258 299 K C -0.306 176.542 176.600 0.414 0.000 0.944 299 K CA -0.441 55.999 56.287 0.256 0.000 0.823 299 K CB 1.872 34.470 32.500 0.163 0.000 1.113 299 K HN 1.111 nan 8.250 nan 0.000 0.431 300 A N 5.668 128.718 122.820 0.383 0.000 2.362 300 A HA 0.330 4.650 4.320 0.000 0.000 0.276 300 A C 0.155 177.771 177.584 0.053 0.000 1.153 300 A CA -0.694 51.488 52.037 0.241 0.000 0.813 300 A CB -0.007 19.106 19.000 0.190 0.000 1.081 300 A HN 0.746 nan 8.150 nan 0.000 0.507 301 I N 4.056 124.581 120.570 -0.074 0.000 2.269 301 I HA 0.166 4.336 4.170 0.000 0.000 0.293 301 I C 0.226 176.275 176.117 -0.113 0.000 1.106 301 I CA 0.064 61.328 61.300 -0.061 0.000 1.248 301 I CB -0.073 37.890 38.000 -0.062 0.000 1.444 301 I HN 0.665 nan 8.210 nan 0.000 0.497 302 T N 4.013 118.530 114.554 -0.062 0.000 2.788 302 T HA 0.596 4.946 4.350 0.000 0.000 0.296 302 T C -1.519 173.156 174.700 -0.041 0.000 1.009 302 T CA -1.279 60.787 62.100 -0.057 0.000 0.949 302 T CB 1.399 70.250 68.868 -0.029 0.000 0.946 302 T HN 0.363 nan 8.240 nan 0.000 0.453 303 P HA 0.510 nan 4.420 nan 0.000 0.279 303 P C -2.820 174.417 177.300 -0.105 0.000 1.282 303 P CA -1.847 61.212 63.100 -0.069 0.000 0.788 303 P CB -0.447 31.221 31.700 -0.053 0.000 1.139 304 P HA 0.087 nan 4.420 nan 0.000 0.270 304 P C -0.427 176.736 177.300 -0.230 0.000 1.227 304 P CA 0.295 63.247 63.100 -0.246 0.000 0.788 304 P CB -0.025 31.424 31.700 -0.417 0.000 0.926 305 T N 2.929 117.313 114.554 -0.284 0.000 2.743 305 T HA 0.371 4.721 4.350 0.000 0.000 0.292 305 T C -2.330 172.214 174.700 -0.261 0.000 0.972 305 T CA -1.485 60.470 62.100 -0.242 0.000 0.967 305 T CB 0.323 69.043 68.868 -0.246 0.000 0.926 305 T HN 0.276 nan 8.240 nan 0.000 0.459 306 P HA 0.215 nan 4.420 nan 0.000 0.269 306 P C -0.225 176.987 177.300 -0.147 0.000 1.209 306 P CA -0.561 62.445 63.100 -0.157 0.000 0.776 306 P CB 0.248 31.886 31.700 -0.103 0.000 0.876 307 A N 2.788 125.532 122.820 -0.125 0.000 2.600 307 A HA 0.084 4.404 4.320 0.000 0.000 0.253 307 A C 0.559 178.082 177.584 -0.102 0.000 0.997 307 A CA 0.190 52.161 52.037 -0.109 0.000 0.820 307 A CB -0.943 18.008 19.000 -0.081 0.000 0.888 307 A HN 0.514 nan 8.150 nan 0.000 0.508 308 V N 3.711 123.559 119.914 -0.111 0.000 2.407 308 V HA 0.399 4.519 4.120 0.000 0.000 0.278 308 V C 1.167 177.224 176.094 -0.061 0.000 1.037 308 V CA -0.417 61.832 62.300 -0.085 0.000 0.900 308 V CB 1.034 32.801 31.823 -0.093 0.000 0.983 308 V HN 0.981 nan 8.190 nan 0.000 0.459 309 R N 4.022 124.494 120.500 -0.047 0.000 2.092 309 R HA 0.131 4.471 4.340 0.000 0.000 0.231 309 R C 1.416 177.703 176.300 -0.023 0.000 1.119 309 R CA 1.390 57.464 56.100 -0.044 0.000 0.970 309 R CB -0.152 30.122 30.300 -0.044 0.000 0.864 309 R HN 0.917 nan 8.270 nan 0.000 0.440 310 A N 1.054 123.890 122.820 0.026 0.000 3.063 310 A HA 0.282 4.602 4.320 0.000 0.000 0.263 310 A C -0.609 177.081 177.584 0.177 0.000 1.736 310 A CA 0.090 52.196 52.037 0.114 0.000 1.408 310 A CB 0.121 19.207 19.000 0.144 0.000 1.108 310 A HN 0.069 nan 8.150 nan 0.000 0.621 311 S N 0.334 116.100 115.700 0.111 0.000 2.627 311 S HA 0.633 5.103 4.470 0.000 0.000 0.283 311 S C -1.201 173.484 174.600 0.141 0.000 1.127 311 S CA -0.568 57.722 58.200 0.150 0.000 0.863 311 S CB 1.336 64.540 63.200 0.006 0.000 1.121 311 S HN 0.699 nan 8.310 nan 0.000 0.479 312 W N 3.121 124.454 121.300 0.054 0.000 2.296 312 W HA 0.612 5.272 4.660 -0.000 0.000 0.316 312 W C -2.059 174.349 176.519 -0.184 0.000 1.022 312 W CA -0.613 56.718 57.345 -0.024 0.000 1.324 312 W CB 0.567 30.140 29.460 0.189 0.000 1.227 312 W HN 0.344 nan 8.180 nan 0.000 0.409 313 V N 7.539 126.988 119.914 -0.774 0.000 2.459 313 V HA 0.512 4.633 4.120 0.000 0.000 0.295 313 V C -0.073 175.660 176.094 -0.602 0.000 1.029 313 V CA -0.295 61.579 62.300 -0.711 0.000 0.874 313 V CB 1.355 32.249 31.823 -1.548 0.000 0.985 313 V HN 0.708 nan 8.190 nan 0.000 0.438 314 H N 2.356 121.313 119.070 -0.189 0.000 2.883 314 H HA 0.882 5.438 4.556 0.000 0.000 0.277 314 H C -1.159 174.348 175.328 0.297 0.000 1.451 314 H CA -1.310 54.726 56.048 -0.020 0.000 1.157 314 H CB 1.981 31.774 29.762 0.053 0.000 1.851 314 H HN 0.477 nan 8.280 nan 0.000 0.566 315 K N 0.689 121.136 120.400 0.077 0.000 2.583 315 K HA 0.321 4.641 4.320 0.000 0.000 0.260 315 K C -1.576 175.118 176.600 0.157 0.000 0.931 315 K CA -0.005 56.318 56.287 0.060 0.000 0.849 315 K CB 2.228 34.802 32.500 0.124 0.000 1.347 315 K HN 0.953 nan 8.250 nan 0.000 0.425 316 T N -0.239 114.460 114.554 0.242 0.000 2.952 316 T HA 0.924 5.274 4.350 0.000 0.000 0.286 316 T C 0.167 174.986 174.700 0.198 0.000 1.024 316 T CA -0.487 61.813 62.100 0.334 0.000 1.029 316 T CB 1.751 70.761 68.868 0.237 0.000 1.094 316 T HN 0.712 nan 8.240 nan 0.000 0.515 317 G N -0.839 108.072 108.800 0.185 0.000 2.698 317 G HA2 0.773 4.733 3.960 0.000 0.000 0.293 317 G HA3 0.773 4.733 3.960 0.000 0.000 0.293 317 G C -1.625 173.360 174.900 0.143 0.000 1.437 317 G CA -0.517 44.681 45.100 0.163 0.000 0.852 317 G HN 1.183 nan 8.290 nan 0.000 0.499 318 A N -0.201 122.699 122.820 0.133 0.000 2.606 318 A HA 1.001 5.321 4.320 0.000 0.000 0.293 318 A C -0.114 177.545 177.584 0.125 0.000 1.082 318 A CA 0.155 52.274 52.037 0.137 0.000 0.685 318 A CB 1.675 20.721 19.000 0.076 0.000 1.284 318 A HN 2.057 nan 8.150 nan 0.000 0.408 319 T N -2.489 112.169 114.554 0.174 0.000 2.804 319 T HA 0.620 4.971 4.350 0.000 0.000 0.290 319 T C 1.232 176.042 174.700 0.183 0.000 1.099 319 T CA 0.179 62.364 62.100 0.142 0.000 1.011 319 T CB 1.054 70.034 68.868 0.187 0.000 1.291 319 T HN 1.684 nan 8.240 nan 0.000 0.523 320 G N -0.236 108.658 108.800 0.157 0.000 2.442 320 G HA2 0.161 4.121 3.960 0.000 0.000 0.219 320 G HA3 0.161 4.121 3.960 0.000 0.000 0.219 320 G C 1.096 176.101 174.900 0.175 0.000 1.141 320 G CA 0.605 45.791 45.100 0.143 0.000 0.763 320 G HN 1.251 nan 8.290 nan 0.000 0.554 321 G N -1.152 107.809 108.800 0.268 0.000 3.651 321 G HA2 0.494 4.454 3.960 0.000 0.000 0.279 321 G HA3 0.494 4.454 3.960 0.000 0.000 0.279 321 G C -0.609 174.283 174.900 -0.013 0.000 1.024 321 G CA -0.480 44.677 45.100 0.095 0.000 0.813 321 G HN 0.152 nan 8.290 nan 0.000 0.518 322 F N -0.536 119.534 119.950 0.200 0.000 2.619 322 F HA 0.680 5.207 4.527 0.000 0.000 0.308 322 F C 0.257 176.184 175.800 0.212 0.000 1.097 322 F CA -1.362 56.797 58.000 0.265 0.000 0.953 322 F CB 2.103 41.295 39.000 0.321 0.000 1.287 322 F HN 0.049 nan 8.300 nan 0.000 0.446 323 G N 0.644 109.693 108.800 0.416 0.000 2.590 323 G HA2 0.628 4.588 3.960 0.000 0.000 0.310 323 G HA3 0.628 4.588 3.960 0.000 0.000 0.310 323 G C -1.413 173.622 174.900 0.225 0.000 1.347 323 G CA -0.774 44.449 45.100 0.205 0.000 0.963 323 G HN 0.783 nan 8.290 nan 0.000 0.494 324 S N 0.495 116.304 115.700 0.181 0.000 2.627 324 S HA 0.854 5.324 4.470 0.000 0.000 0.283 324 S C -1.440 173.340 174.600 0.301 0.000 1.127 324 S CA -0.981 57.355 58.200 0.227 0.000 0.863 324 S CB 2.332 65.669 63.200 0.228 0.000 1.121 324 S HN 1.233 nan 8.310 nan 0.000 0.479 325 Y N -0.229 120.167 120.300 0.159 0.000 2.565 325 Y HA 0.619 5.169 4.550 0.000 0.000 0.330 325 Y C -2.137 173.908 175.900 0.242 0.000 1.150 325 Y CA -0.694 57.521 58.100 0.192 0.000 1.055 325 Y CB 1.352 39.919 38.460 0.179 0.000 1.337 325 Y HN 0.805 nan 8.280 nan 0.000 0.457 326 V N 3.672 123.274 119.914 -0.520 0.000 2.925 326 V HA 1.008 5.128 4.120 0.000 0.000 0.311 326 V C -1.011 174.775 176.094 -0.514 0.000 1.104 326 V CA -0.241 61.904 62.300 -0.257 0.000 0.954 326 V CB 1.682 33.612 31.823 0.179 0.000 1.022 326 V HN 1.119 nan 8.190 nan 0.000 0.427 327 A N 3.763 126.403 122.820 -0.299 0.000 2.577 327 A HA 0.972 5.292 4.320 0.000 0.000 0.297 327 A C -1.463 175.867 177.584 -0.422 0.000 1.060 327 A CA -0.506 51.239 52.037 -0.486 0.000 0.697 327 A CB 1.638 20.375 19.000 -0.439 0.000 1.281 327 A HN 1.656 nan 8.150 nan 0.000 0.402 328 F N -0.728 118.774 119.950 -0.747 0.000 2.668 328 F HA 0.836 5.363 4.527 0.000 0.000 0.309 328 F C -1.247 174.154 175.800 -0.665 0.000 1.117 328 F CA -1.225 56.400 58.000 -0.626 0.000 0.951 328 F CB 1.358 40.069 39.000 -0.482 0.000 1.323 328 F HN 0.269 nan 8.300 nan 0.000 0.451 329 I N 2.848 123.224 120.570 -0.322 0.000 2.668 329 I HA 0.307 4.477 4.170 0.000 0.000 0.276 329 I C -1.814 174.161 176.117 -0.236 0.000 1.139 329 I CA -1.863 59.197 61.300 -0.399 0.000 1.133 329 I CB 1.353 38.942 38.000 -0.686 0.000 1.327 329 I HN 0.382 nan 8.210 nan 0.000 0.520 330 P HA -0.310 nan 4.420 nan 0.000 0.220 330 P C 1.339 178.562 177.300 -0.128 0.000 1.155 330 P CA 1.615 64.674 63.100 -0.069 0.000 0.880 330 P CB 0.217 31.902 31.700 -0.026 0.000 0.790 331 E N 0.134 120.248 120.200 -0.143 0.000 2.150 331 E HA -0.185 4.166 4.350 0.000 0.000 0.193 331 E C 1.139 177.651 176.600 -0.147 0.000 0.985 331 E CA 1.067 57.395 56.400 -0.121 0.000 0.814 331 E CB -0.187 29.478 29.700 -0.058 0.000 0.752 331 E HN 0.147 nan 8.360 nan 0.000 0.466 332 K N 0.655 120.923 120.400 -0.219 0.000 2.417 332 K HA 0.058 4.378 4.320 0.000 0.000 0.196 332 K C -0.044 176.421 176.600 -0.225 0.000 1.023 332 K CA 0.156 56.311 56.287 -0.219 0.000 1.122 332 K CB 0.330 32.665 32.500 -0.275 0.000 0.850 332 K HN 0.221 nan 8.250 nan 0.000 0.521 333 E N 0.837 120.915 120.200 -0.204 0.000 2.660 333 E HA -0.222 4.128 4.350 0.000 0.000 0.260 333 E C -0.452 176.017 176.600 -0.218 0.000 1.122 333 E CA 0.382 56.659 56.400 -0.206 0.000 0.755 333 E CB -1.005 28.573 29.700 -0.203 0.000 1.345 333 E HN 0.190 nan 8.360 nan 0.000 0.421 334 L N 0.171 121.267 121.223 -0.213 0.000 2.365 334 L HA 0.766 5.106 4.340 0.000 0.000 0.273 334 L C 0.318 177.093 176.870 -0.158 0.000 1.000 334 L CA 0.085 54.820 54.840 -0.175 0.000 0.819 334 L CB 1.707 43.643 42.059 -0.205 0.000 1.284 334 L HN 0.150 nan 8.230 nan 0.000 0.418 335 G N 4.406 113.151 108.800 -0.093 0.000 2.506 335 G HA2 0.523 4.483 3.960 0.000 0.000 0.292 335 G HA3 0.523 4.483 3.960 0.000 0.000 0.292 335 G C -2.233 172.659 174.900 -0.014 0.000 1.425 335 G CA -0.400 44.652 45.100 -0.079 0.000 0.788 335 G HN 0.620 nan 8.290 nan 0.000 0.490 336 I N -0.822 119.752 120.570 0.007 0.000 2.984 336 I HA 0.647 4.817 4.170 0.000 0.000 0.303 336 I C -1.428 174.753 176.117 0.106 0.000 1.381 336 I CA -1.025 60.322 61.300 0.080 0.000 0.988 336 I CB 2.341 40.409 38.000 0.113 0.000 1.307 336 I HN 0.458 nan 8.210 nan 0.000 0.460 337 V N 5.644 125.655 119.914 0.161 0.000 2.686 337 V HA 0.540 4.660 4.120 0.000 0.000 0.306 337 V C -0.695 175.531 176.094 0.219 0.000 1.065 337 V CA -0.470 61.944 62.300 0.190 0.000 0.894 337 V CB 1.852 33.801 31.823 0.211 0.000 1.004 337 V HN 0.609 nan 8.190 nan 0.000 0.424 338 M N 5.833 125.575 119.600 0.236 0.000 2.197 338 M HA 0.635 5.115 4.480 0.000 0.000 0.301 338 M C -1.320 175.072 176.300 0.152 0.000 0.987 338 M CA -0.216 55.216 55.300 0.220 0.000 0.921 338 M CB 2.200 34.971 32.600 0.285 0.000 1.569 338 M HN 0.364 nan 8.290 nan 0.000 0.431 339 L N 2.833 124.056 121.223 0.001 0.000 2.356 339 L HA 0.960 5.300 4.340 0.000 0.000 0.277 339 L C -0.499 176.187 176.870 -0.307 0.000 0.996 339 L CA -0.727 53.950 54.840 -0.271 0.000 0.822 339 L CB 1.826 43.429 42.059 -0.759 0.000 1.256 339 L HN 0.856 nan 8.230 nan 0.000 0.413 340 A N 2.068 124.936 122.820 0.080 0.000 2.435 340 A HA 0.495 4.816 4.320 0.000 0.000 0.304 340 A C -0.080 177.893 177.584 0.650 0.000 1.064 340 A CA -0.754 51.506 52.037 0.371 0.000 0.727 340 A CB 1.192 20.461 19.000 0.449 0.000 1.284 340 A HN 0.758 nan 8.150 nan 0.000 0.415 341 N N 1.874 120.949 118.700 0.624 0.000 2.623 341 N HA 0.076 4.816 4.740 0.000 0.000 0.263 341 N C -0.272 175.286 175.510 0.079 0.000 1.218 341 N CA 0.008 53.171 53.050 0.188 0.000 0.949 341 N CB 0.235 38.698 38.487 -0.041 0.000 1.270 341 N HN 0.615 nan 8.380 nan 0.000 0.507 342 K N 0.375 120.913 120.400 0.230 0.000 2.569 342 K HA 0.129 4.449 4.320 0.000 0.000 0.259 342 K C -1.894 174.912 176.600 0.343 0.000 0.932 342 K CA -0.614 55.813 56.287 0.233 0.000 0.833 342 K CB 1.302 33.929 32.500 0.212 0.000 1.340 342 K HN -0.011 nan 8.250 nan 0.000 0.429 343 N N 3.700 122.554 118.700 0.256 0.000 2.405 343 N HA 0.162 4.902 4.740 0.000 0.000 0.260 343 N C -1.236 174.403 175.510 0.215 0.000 1.152 343 N CA 0.216 53.382 53.050 0.194 0.000 0.948 343 N CB -0.205 38.369 38.487 0.145 0.000 1.111 343 N HN 0.502 nan 8.380 nan 0.000 0.485 344 Y N 1.489 121.839 120.300 0.084 0.000 2.605 344 Y HA 0.718 5.268 4.550 0.000 0.000 0.343 344 Y C -2.752 173.171 175.900 0.037 0.000 1.036 344 Y CA -2.991 55.141 58.100 0.052 0.000 1.065 344 Y CB 0.087 38.573 38.460 0.044 0.000 1.288 344 Y HN 0.318 nan 8.280 nan 0.000 0.481 345 P HA -0.052 nan 4.420 nan 0.000 0.259 345 P C 0.111 177.340 177.300 -0.117 0.000 1.163 345 P CA 0.605 63.709 63.100 0.007 0.000 0.760 345 P CB 0.665 32.412 31.700 0.077 0.000 0.762 346 N N 4.917 123.526 118.700 -0.152 0.000 2.149 346 N HA -0.122 4.618 4.740 0.000 0.000 0.188 346 N C -0.930 174.497 175.510 -0.138 0.000 1.019 346 N CA 1.667 54.609 53.050 -0.180 0.000 0.857 346 N CB -1.628 36.781 38.487 -0.131 0.000 0.997 346 N HN 0.454 nan 8.380 nan 0.000 0.426 347 P HA 0.005 nan 4.420 nan 0.000 0.220 347 P C 1.048 178.332 177.300 -0.027 0.000 1.148 347 P CA 1.034 64.097 63.100 -0.061 0.000 0.803 347 P CB 0.006 31.679 31.700 -0.045 0.000 0.782 348 A N 0.564 123.405 122.820 0.035 0.000 1.873 348 A HA -0.204 4.116 4.320 0.000 0.000 0.215 348 A C 2.239 179.911 177.584 0.146 0.000 1.186 348 A CA 1.410 53.526 52.037 0.131 0.000 0.616 348 A CB -1.025 18.136 19.000 0.269 0.000 0.823 348 A HN 0.087 nan 8.150 nan 0.000 0.442 349 R N -0.438 120.129 120.500 0.112 0.000 2.080 349 R HA -0.117 4.224 4.340 0.000 0.000 0.236 349 R C 1.946 178.139 176.300 -0.179 0.000 1.137 349 R CA 1.646 57.748 56.100 0.004 0.000 0.943 349 R CB -0.981 29.210 30.300 -0.181 0.000 0.846 349 R HN 0.344 nan 8.270 nan 0.000 0.431 350 V N 1.826 121.538 119.914 -0.336 0.000 2.392 350 V HA -0.264 3.856 4.120 0.000 0.000 0.249 350 V C 1.986 178.115 176.094 0.057 0.000 1.059 350 V CA 2.219 64.367 62.300 -0.252 0.000 1.051 350 V CB -0.669 31.043 31.823 -0.184 0.000 0.658 350 V HN 0.391 nan 8.190 nan 0.000 0.455 351 D N 0.315 120.742 120.400 0.045 0.000 2.097 351 D HA -0.130 4.510 4.640 0.000 0.000 0.197 351 D C 2.153 178.584 176.300 0.218 0.000 0.984 351 D CA 1.385 55.462 54.000 0.128 0.000 0.826 351 D CB -0.185 40.654 40.800 0.065 0.000 0.973 351 D HN 0.338 nan 8.370 nan 0.000 0.460 352 A N 0.756 123.666 122.820 0.150 0.000 1.892 352 A HA -0.123 4.197 4.320 0.000 0.000 0.218 352 A C 2.447 180.146 177.584 0.192 0.000 1.188 352 A CA 2.612 54.729 52.037 0.133 0.000 0.631 352 A CB -1.394 17.669 19.000 0.105 0.000 0.822 352 A HN 0.393 nan 8.150 nan 0.000 0.447 353 A N -1.274 121.715 122.820 0.281 0.000 1.908 353 A HA -0.204 4.116 4.320 0.000 0.000 0.218 353 A C 2.136 180.002 177.584 0.470 0.000 1.181 353 A CA 1.535 53.821 52.037 0.416 0.000 0.627 353 A CB -0.953 18.454 19.000 0.678 0.000 0.818 353 A HN 0.931 nan 8.150 nan 0.000 0.445 354 W N 0.494 121.973 121.300 0.299 0.000 2.381 354 W HA -0.185 4.475 4.660 -0.000 0.000 0.301 354 W C 1.841 178.474 176.519 0.190 0.000 1.205 354 W CA 1.912 59.405 57.345 0.247 0.000 1.285 354 W CB -0.366 29.117 29.460 0.038 0.000 1.133 354 W HN 0.341 nan 8.180 nan 0.000 0.521 355 Q N 1.059 120.883 119.800 0.039 0.000 1.967 355 Q HA -0.245 4.095 4.340 0.000 0.000 0.210 355 Q C 2.290 178.192 176.000 -0.164 0.000 1.005 355 Q CA 2.610 58.367 55.803 -0.076 0.000 0.862 355 Q CB -1.383 27.396 28.738 0.070 0.000 0.939 355 Q HN 0.478 nan 8.270 nan 0.000 0.417 356 I N 0.166 120.710 120.570 -0.042 0.000 2.068 356 I HA -0.323 3.847 4.170 0.000 0.000 0.238 356 I C 2.123 178.204 176.117 -0.060 0.000 1.046 356 I CA 1.042 62.316 61.300 -0.043 0.000 1.306 356 I CB -0.526 37.471 38.000 -0.004 0.000 1.023 356 I HN 0.168 nan 8.210 nan 0.000 0.399 357 L N 0.716 121.933 121.223 -0.012 0.000 2.083 357 L HA -0.215 4.125 4.340 0.000 0.000 0.209 357 L C 2.231 179.018 176.870 -0.139 0.000 1.083 357 L CA 1.755 56.589 54.840 -0.010 0.000 0.752 357 L CB -1.674 40.465 42.059 0.134 0.000 0.899 357 L HN 0.332 nan 8.230 nan 0.000 0.433 358 N N -0.215 118.209 118.700 -0.460 0.000 2.223 358 N HA -0.143 4.597 4.740 0.000 0.000 0.185 358 N C 1.772 177.139 175.510 -0.238 0.000 1.016 358 N CA 1.264 53.947 53.050 -0.611 0.000 0.863 358 N CB 0.028 37.713 38.487 -1.337 0.000 0.983 358 N HN 0.319 nan 8.380 nan 0.000 0.429 359 A N -0.272 122.441 122.820 -0.179 0.000 1.969 359 A HA 0.198 4.518 4.320 0.000 0.000 0.218 359 A C 0.396 177.971 177.584 -0.016 0.000 1.169 359 A CA 0.629 52.619 52.037 -0.078 0.000 0.635 359 A CB -0.254 18.705 19.000 -0.069 0.000 0.810 359 A HN 0.273 nan 8.150 nan 0.000 0.445 360 L N 0.000 121.232 121.223 0.015 0.000 2.949 360 L HA 0.000 4.340 4.340 0.000 0.000 0.249 360 L CA 0.000 54.921 54.840 0.134 0.000 0.813 360 L CB 0.000 42.150 42.059 0.152 0.000 0.961 360 L HN 0.000 nan 8.230 nan 0.000 0.502