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 2rcx_1_B DATA FIRST_RESID 4 DATA SEQUENCE APQQINDIVH RTITPLIEQQ KIPGMAVAVI YQGKPYYFTW GYADIAKKQP DATA SEQUENCE VTQQTLFELG SVSKTFTGVL GGDAIARGEI KLSDPTTKYW PELTAKQWNG DATA SEQUENCE ITLLHLATYT AGGLPLQVPD EVKSSSDLLR FYQNWQPAWA PGTQRLYANS DATA SEQUENCE SIGLFGALAV KPSGLSFEQA MQTRVFQPLK LNHTWINVPP AEEKNYAWGY DATA SEQUENCE REGKAVHVSP GALDAEAYGV KSTIEDMARW VQSNLKPLDI NEKTLQQGIQ DATA SEQUENCE LAQSRYWQTG DMYQGLGWEM LDWPVNPDSI INGSDNKIAL AARPVKAITP DATA SEQUENCE PTPAVRASWV HKTGATGGFG SYVAFIPEKE LGIVMLANKN YPNPARVDAA DATA SEQUENCE WQILNALQ VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 4 A HA 0.000 nan 4.320 nan 0.000 0.244 4 A C 0.000 177.494 177.584 -0.151 0.000 1.274 4 A CA 0.000 51.999 52.037 -0.063 0.000 0.836 4 A CB 0.000 18.974 19.000 -0.044 0.000 0.831 5 P HA -0.021 nan 4.420 nan 0.000 0.266 5 P C 0.989 178.195 177.300 -0.157 0.000 1.186 5 P CA 0.020 63.001 63.100 -0.198 0.000 0.767 5 P CB 0.648 32.178 31.700 -0.284 0.000 0.820 6 Q N 2.331 122.076 119.800 -0.092 0.000 2.152 6 Q HA -0.280 4.060 4.340 -0.000 0.000 0.206 6 Q C 1.740 177.697 176.000 -0.072 0.000 0.985 6 Q CA 1.879 57.649 55.803 -0.055 0.000 0.863 6 Q CB -0.135 28.584 28.738 -0.033 0.000 0.904 6 Q HN 0.554 nan 8.270 nan 0.000 0.422 7 Q N -0.286 119.439 119.800 -0.124 0.000 2.119 7 Q HA -0.115 4.225 4.340 -0.000 0.000 0.201 7 Q C 2.228 178.128 176.000 -0.167 0.000 0.972 7 Q CA 1.152 56.872 55.803 -0.138 0.000 0.847 7 Q CB -0.007 28.627 28.738 -0.174 0.000 0.903 7 Q HN 0.476 nan 8.270 nan 0.000 0.433 8 I N 1.048 121.473 120.570 -0.241 0.000 2.163 8 I HA -0.285 3.885 4.170 -0.000 0.000 0.240 8 I C 2.017 178.101 176.117 -0.054 0.000 1.081 8 I CA 0.815 61.995 61.300 -0.199 0.000 1.353 8 I CB -0.444 37.378 38.000 -0.297 0.000 1.054 8 I HN 0.188 nan 8.210 nan 0.000 0.407 9 N N 0.856 119.578 118.700 0.036 0.000 2.061 9 N HA -0.259 4.481 4.740 -0.000 0.000 0.193 9 N C 1.523 177.084 175.510 0.085 0.000 1.030 9 N CA 1.990 55.125 53.050 0.142 0.000 0.856 9 N CB -0.586 37.975 38.487 0.123 0.000 1.023 9 N HN 0.411 nan 8.380 nan 0.000 0.424 10 D N 0.589 121.013 120.400 0.040 0.000 2.087 10 D HA -0.119 4.521 4.640 -0.000 0.000 0.192 10 D C 1.893 178.209 176.300 0.026 0.000 0.993 10 D CA 0.686 54.715 54.000 0.049 0.000 0.828 10 D CB -0.253 40.554 40.800 0.012 0.000 0.968 10 D HN 0.075 nan 8.370 nan 0.000 0.448 11 I N -0.130 120.423 120.570 -0.028 0.000 2.361 11 I HA -0.155 4.015 4.170 -0.000 0.000 0.251 11 I C 2.103 178.188 176.117 -0.053 0.000 1.133 11 I CA 0.820 62.094 61.300 -0.043 0.000 1.413 11 I CB -0.274 37.688 38.000 -0.064 0.000 1.073 11 I HN 0.016 nan 8.210 nan 0.000 0.424 12 V N 0.022 119.871 119.914 -0.108 0.000 2.270 12 V HA -0.307 3.813 4.120 -0.000 0.000 0.245 12 V C 2.543 178.650 176.094 0.021 0.000 1.043 12 V CA 2.190 64.381 62.300 -0.183 0.000 1.014 12 V CB -1.095 30.310 31.823 -0.697 0.000 0.645 12 V HN 0.494 nan 8.190 nan 0.000 0.447 13 H N 1.038 120.107 119.070 -0.001 0.000 2.353 13 H HA -0.131 4.425 4.556 -0.000 0.000 0.298 13 H C 2.402 177.760 175.328 0.050 0.000 1.103 13 H CA 2.012 58.130 56.048 0.118 0.000 1.293 13 H CB -0.128 29.707 29.762 0.121 0.000 1.372 13 H HN 0.290 nan 8.280 nan 0.000 0.501 14 R N -1.168 119.310 120.500 -0.037 0.000 2.235 14 R HA -0.004 4.336 4.340 -0.000 0.000 0.213 14 R C 1.622 177.870 176.300 -0.087 0.000 1.059 14 R CA 1.399 57.430 56.100 -0.114 0.000 0.997 14 R CB 0.276 30.537 30.300 -0.065 0.000 0.884 14 R HN 0.347 nan 8.270 nan 0.000 0.462 15 T N 0.383 114.900 114.554 -0.062 0.000 3.044 15 T HA 0.125 4.475 4.350 -0.000 0.000 0.237 15 T C 1.766 176.402 174.700 -0.106 0.000 1.001 15 T CA 0.201 62.267 62.100 -0.058 0.000 1.160 15 T CB 0.225 69.079 68.868 -0.023 0.000 0.889 15 T HN -0.046 nan 8.240 nan 0.000 0.442 16 I N 2.378 122.856 120.570 -0.154 0.000 2.333 16 I HA -0.060 4.110 4.170 -0.000 0.000 0.246 16 I C 2.600 178.429 176.117 -0.480 0.000 1.106 16 I CA 1.361 62.457 61.300 -0.340 0.000 1.411 16 I CB -1.876 35.805 38.000 -0.531 0.000 1.082 16 I HN 0.261 nan 8.210 nan 0.000 0.420 17 T N 2.069 116.415 114.554 -0.347 0.000 2.684 17 T HA -0.101 4.249 4.350 -0.000 0.000 0.267 17 T C -0.221 174.345 174.700 -0.223 0.000 1.036 17 T CA 1.549 63.481 62.100 -0.281 0.000 1.148 17 T CB -1.551 67.363 68.868 0.077 0.000 0.863 17 T HN 0.229 nan 8.240 nan 0.000 0.436 18 P HA -0.013 nan 4.420 nan 0.000 0.215 18 P C 1.703 178.915 177.300 -0.145 0.000 1.153 18 P CA 0.503 63.522 63.100 -0.136 0.000 0.853 18 P CB -0.190 31.446 31.700 -0.107 0.000 0.788 19 L N -0.635 120.484 121.223 -0.174 0.000 2.012 19 L HA -0.163 4.177 4.340 -0.000 0.000 0.210 19 L C 2.175 178.893 176.870 -0.253 0.000 1.073 19 L CA 1.823 56.555 54.840 -0.180 0.000 0.748 19 L CB -1.134 40.824 42.059 -0.169 0.000 0.891 19 L HN -0.138 nan 8.230 nan 0.000 0.431 20 I N -0.390 119.986 120.570 -0.323 0.000 2.208 20 I HA -0.269 3.901 4.170 -0.000 0.000 0.245 20 I C 2.444 178.440 176.117 -0.202 0.000 1.097 20 I CA 1.218 62.330 61.300 -0.314 0.000 1.363 20 I CB -0.477 37.298 38.000 -0.374 0.000 1.051 20 I HN 0.353 nan 8.210 nan 0.000 0.413 21 E N 0.554 120.658 120.200 -0.160 0.000 2.072 21 E HA -0.231 4.119 4.350 -0.000 0.000 0.191 21 E C 2.178 178.725 176.600 -0.088 0.000 0.985 21 E CA 1.202 57.541 56.400 -0.101 0.000 0.801 21 E CB -0.364 29.291 29.700 -0.076 0.000 0.750 21 E HN 0.587 nan 8.360 nan 0.000 0.452 22 Q N 0.131 119.874 119.800 -0.094 0.000 2.124 22 Q HA -0.129 4.211 4.340 -0.000 0.000 0.202 22 Q C 1.899 177.861 176.000 -0.063 0.000 0.977 22 Q CA 1.131 56.894 55.803 -0.067 0.000 0.850 22 Q CB 0.127 28.831 28.738 -0.057 0.000 0.901 22 Q HN 0.145 nan 8.270 nan 0.000 0.429 23 Q N -0.242 119.494 119.800 -0.108 0.000 2.352 23 Q HA 0.108 4.448 4.340 -0.000 0.000 0.212 23 Q C -0.327 175.618 176.000 -0.092 0.000 0.888 23 Q CA 0.199 55.940 55.803 -0.104 0.000 0.934 23 Q CB 0.852 29.442 28.738 -0.246 0.000 1.093 23 Q HN 0.215 nan 8.270 nan 0.000 0.523 24 K N 0.737 121.078 120.400 -0.098 0.000 3.239 24 K HA -0.161 4.159 4.320 -0.000 0.000 0.270 24 K C -0.749 175.806 176.600 -0.075 0.000 1.049 24 K CA 0.143 56.387 56.287 -0.072 0.000 0.769 24 K CB -1.908 30.567 32.500 -0.041 0.000 1.305 24 K HN 0.192 nan 8.250 nan 0.000 0.469 25 I N 0.941 121.440 120.570 -0.118 0.000 2.379 25 I HA 0.057 4.227 4.170 -0.000 0.000 0.290 25 I C -1.007 175.097 176.117 -0.021 0.000 1.063 25 I CA -2.198 59.049 61.300 -0.089 0.000 1.351 25 I CB 0.890 38.771 38.000 -0.198 0.000 1.410 25 I HN 0.045 nan 8.210 nan 0.000 0.505 26 P HA -0.027 nan 4.420 nan 0.000 0.216 26 P C 0.428 177.808 177.300 0.133 0.000 1.153 26 P CA 0.560 63.678 63.100 0.029 0.000 0.848 26 P CB 0.281 31.932 31.700 -0.082 0.000 0.787 27 G N -1.525 107.409 108.800 0.225 0.000 2.696 27 G HA2 0.689 4.649 3.960 -0.000 0.000 0.295 27 G HA3 0.689 4.649 3.960 -0.000 0.000 0.295 27 G C -1.937 173.215 174.900 0.419 0.000 1.398 27 G CA -0.414 44.881 45.100 0.325 0.000 0.920 27 G HN 0.062 nan 8.290 nan 0.000 0.492 28 M N 0.922 120.813 119.600 0.486 0.000 2.414 28 M HA 0.696 5.176 4.480 -0.000 0.000 0.287 28 M C -1.546 175.094 176.300 0.567 0.000 1.181 28 M CA -0.531 55.033 55.300 0.441 0.000 0.933 28 M CB 2.157 34.889 32.600 0.221 0.000 1.732 28 M HN 1.111 nan 8.290 nan 0.000 0.486 29 A N 3.240 126.262 122.820 0.336 0.000 2.401 29 A HA 0.921 5.241 4.320 -0.000 0.000 0.310 29 A C -1.735 176.067 177.584 0.364 0.000 1.075 29 A CA -0.636 51.632 52.037 0.385 0.000 0.746 29 A CB 1.937 21.119 19.000 0.303 0.000 1.277 29 A HN 0.654 nan 8.150 nan 0.000 0.425 30 V N 0.505 120.737 119.914 0.530 0.000 2.841 30 V HA 0.787 4.907 4.120 -0.000 0.000 0.310 30 V C 0.025 176.442 176.094 0.538 0.000 1.090 30 V CA -0.238 62.361 62.300 0.500 0.000 0.930 30 V CB 1.873 34.025 31.823 0.549 0.000 1.014 30 V HN 1.475 nan 8.190 nan 0.000 0.425 31 A N 3.594 126.651 122.820 0.396 0.000 2.355 31 A HA 0.911 5.231 4.320 -0.000 0.000 0.317 31 A C -1.119 176.616 177.584 0.251 0.000 1.094 31 A CA -0.590 51.617 52.037 0.284 0.000 0.764 31 A CB 1.818 20.943 19.000 0.208 0.000 1.230 31 A HN 0.692 nan 8.150 nan 0.000 0.448 32 V N 3.166 123.240 119.914 0.266 0.000 2.448 32 V HA 0.369 4.489 4.120 -0.000 0.000 0.295 32 V C -0.817 175.403 176.094 0.212 0.000 1.025 32 V CA -0.289 62.160 62.300 0.248 0.000 0.859 32 V CB 1.386 33.388 31.823 0.298 0.000 0.988 32 V HN 0.726 nan 8.190 nan 0.000 0.431 33 I N 5.759 126.413 120.570 0.139 0.000 2.304 33 I HA 0.386 4.555 4.170 -0.000 0.000 0.291 33 I C -0.730 175.504 176.117 0.196 0.000 1.018 33 I CA -0.178 61.182 61.300 0.099 0.000 1.260 33 I CB 0.820 38.809 38.000 -0.018 0.000 1.390 33 I HN 0.595 nan 8.210 nan 0.000 0.475 34 Y N 5.231 125.616 120.300 0.142 0.000 2.373 34 Y HA 0.348 4.898 4.550 0.000 0.000 0.336 34 Y C 0.236 176.197 175.900 0.102 0.000 0.979 34 Y CA -1.022 57.145 58.100 0.112 0.000 1.080 34 Y CB 1.238 39.771 38.460 0.121 0.000 1.190 34 Y HN 0.670 nan 8.280 nan 0.000 0.446 35 Q N 4.611 124.122 119.800 -0.482 0.000 2.434 35 Q HA -0.269 4.071 4.340 -0.000 0.000 0.299 35 Q C 1.153 177.065 176.000 -0.148 0.000 1.286 35 Q CA 1.350 56.943 55.803 -0.350 0.000 0.872 35 Q CB -1.405 27.092 28.738 -0.401 0.000 1.193 35 Q HN 1.375 nan 8.270 nan 0.000 0.466 36 G N -0.879 107.849 108.800 -0.119 0.000 2.245 36 G HA2 -0.367 3.593 3.960 -0.000 0.000 0.264 36 G HA3 -0.367 3.593 3.960 -0.000 0.000 0.264 36 G C 0.050 174.900 174.900 -0.082 0.000 0.985 36 G CA 0.754 45.794 45.100 -0.100 0.000 0.625 36 G HN 0.337 nan 8.290 nan 0.000 0.536 37 K N 1.666 122.036 120.400 -0.049 0.000 2.159 37 K HA 0.532 4.852 4.320 -0.000 0.000 0.266 37 K C -2.584 173.838 176.600 -0.297 0.000 0.975 37 K CA -1.913 54.283 56.287 -0.153 0.000 0.865 37 K CB 2.406 34.818 32.500 -0.147 0.000 1.087 37 K HN 0.093 nan 8.250 nan 0.000 0.446 38 P HA 0.197 nan 4.420 nan 0.000 0.286 38 P C -1.470 175.168 177.300 -1.104 0.000 1.261 38 P CA -0.376 62.364 63.100 -0.600 0.000 0.821 38 P CB 0.567 31.972 31.700 -0.492 0.000 1.013 39 Y N 0.907 120.901 120.300 -0.510 0.000 2.442 39 Y HA 0.486 5.036 4.550 -0.000 0.000 0.344 39 Y C -0.151 175.351 175.900 -0.664 0.000 0.976 39 Y CA -0.448 57.365 58.100 -0.478 0.000 1.040 39 Y CB 1.924 40.302 38.460 -0.137 0.000 1.228 39 Y HN 0.292 nan 8.280 nan 0.000 0.451 40 Y N 2.196 122.271 120.300 -0.375 0.000 2.485 40 Y HA 0.728 5.278 4.550 -0.000 0.000 0.345 40 Y C -1.130 174.301 175.900 -0.781 0.000 0.998 40 Y CA -1.334 56.568 58.100 -0.330 0.000 1.059 40 Y CB 1.825 40.191 38.460 -0.157 0.000 1.234 40 Y HN 0.398 nan 8.280 nan 0.000 0.461 41 F N 0.290 120.323 119.950 0.137 0.000 2.574 41 F HA 0.603 5.130 4.527 -0.000 0.000 0.313 41 F C -0.456 175.174 175.800 -0.283 0.000 1.130 41 F CA -0.915 56.957 58.000 -0.213 0.000 0.936 41 F CB 2.450 41.330 39.000 -0.200 0.000 1.219 41 F HN 0.382 nan 8.300 nan 0.000 0.445 42 T N -1.263 113.031 114.554 -0.434 0.000 2.909 42 T HA 0.682 5.032 4.350 -0.000 0.000 0.299 42 T C -1.589 172.891 174.700 -0.366 0.000 1.073 42 T CA -0.742 61.273 62.100 -0.141 0.000 0.999 42 T CB 1.929 70.804 68.868 0.011 0.000 1.098 42 T HN 0.606 nan 8.240 nan 0.000 0.477 43 W N 0.533 121.918 121.300 0.141 0.000 3.256 43 W HA 0.514 5.173 4.660 -0.000 0.000 0.324 43 W C 0.680 177.222 176.519 0.038 0.000 1.196 43 W CA -0.150 57.238 57.345 0.072 0.000 1.206 43 W CB 1.810 31.314 29.460 0.074 0.000 1.385 43 W HN 1.422 nan 8.180 nan 0.000 0.522 44 G N 1.398 110.271 108.800 0.122 0.000 2.584 44 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.229 44 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.229 44 G C -1.738 173.098 174.900 -0.107 0.000 1.320 44 G CA -0.668 44.379 45.100 -0.087 0.000 0.891 44 G HN 0.527 nan 8.290 nan 0.000 0.573 45 Y N 0.471 120.867 120.300 0.160 0.000 2.352 45 Y HA 0.541 5.090 4.550 -0.000 0.000 0.339 45 Y C 1.451 177.469 175.900 0.197 0.000 0.992 45 Y CA -0.269 57.919 58.100 0.145 0.000 1.100 45 Y CB 1.931 40.444 38.460 0.088 0.000 1.192 45 Y HN 0.857 nan 8.280 nan 0.000 0.458 46 A N 1.398 124.428 122.820 0.350 0.000 1.968 46 A HA -0.100 4.220 4.320 -0.000 0.000 0.217 46 A C 0.336 178.124 177.584 0.340 0.000 1.169 46 A CA 1.590 53.779 52.037 0.252 0.000 0.638 46 A CB -0.028 19.055 19.000 0.138 0.000 0.812 46 A HN 0.678 nan 8.150 nan 0.000 0.446 47 D N -1.435 119.166 120.400 0.335 0.000 2.479 47 D HA 0.412 5.052 4.640 -0.000 0.000 0.246 47 D C 0.619 176.990 176.300 0.118 0.000 1.336 47 D CA -0.482 53.710 54.000 0.320 0.000 0.967 47 D CB 0.679 41.643 40.800 0.273 0.000 1.275 47 D HN 0.120 nan 8.370 nan 0.000 0.577 48 I N 2.308 122.950 120.570 0.119 0.000 2.113 48 I HA -0.213 3.957 4.170 -0.000 0.000 0.238 48 I C 2.516 178.477 176.117 -0.260 0.000 1.070 48 I CA 1.285 62.486 61.300 -0.165 0.000 1.332 48 I CB -0.206 37.642 38.000 -0.253 0.000 1.044 48 I HN 0.478 nan 8.210 nan 0.000 0.402 49 A N 1.004 123.732 122.820 -0.152 0.000 1.884 49 A HA -0.261 4.059 4.320 -0.000 0.000 0.219 49 A C 2.193 179.682 177.584 -0.158 0.000 1.197 49 A CA 1.969 53.914 52.037 -0.154 0.000 0.637 49 A CB -0.602 18.312 19.000 -0.143 0.000 0.827 49 A HN 0.399 nan 8.150 nan 0.000 0.450 50 K N -0.654 119.671 120.400 -0.126 0.000 2.487 50 K HA 0.068 4.388 4.320 -0.000 0.000 0.192 50 K C -0.273 176.234 176.600 -0.155 0.000 1.027 50 K CA 0.310 56.540 56.287 -0.095 0.000 1.054 50 K CB 0.015 32.504 32.500 -0.018 0.000 0.824 50 K HN 0.454 nan 8.250 nan 0.000 0.510 51 K N 1.714 121.905 120.400 -0.349 0.000 3.177 51 K HA -0.192 4.128 4.320 -0.000 0.000 0.266 51 K C -0.519 175.956 176.600 -0.208 0.000 0.937 51 K CA 0.454 56.321 56.287 -0.700 0.000 0.702 51 K CB -0.851 31.317 32.500 -0.554 0.000 1.365 51 K HN 0.210 nan 8.250 nan 0.000 0.466 52 Q N 0.736 120.526 119.800 -0.018 0.000 2.288 52 Q HA 0.177 4.517 4.340 -0.000 0.000 0.258 52 Q C -2.171 174.027 176.000 0.329 0.000 0.957 52 Q CA -1.819 54.075 55.803 0.150 0.000 0.919 52 Q CB 1.143 29.956 28.738 0.125 0.000 1.185 52 Q HN 0.152 nan 8.270 nan 0.000 0.408 53 P HA 0.057 nan 4.420 nan 0.000 0.275 53 P C -0.219 177.200 177.300 0.199 0.000 1.228 53 P CA -0.307 62.952 63.100 0.264 0.000 0.786 53 P CB 0.827 32.624 31.700 0.161 0.000 0.927 54 V N 3.194 123.232 119.914 0.208 0.000 2.540 54 V HA 0.102 4.222 4.120 -0.000 0.000 0.297 54 V C 1.344 177.533 176.094 0.159 0.000 1.024 54 V CA 0.919 63.354 62.300 0.225 0.000 1.105 54 V CB -0.137 31.900 31.823 0.357 0.000 0.938 54 V HN 0.849 nan 8.190 nan 0.000 0.482 55 T N 1.592 116.225 114.554 0.132 0.000 2.883 55 T HA 0.360 4.710 4.350 -0.000 0.000 0.284 55 T C 0.581 175.322 174.700 0.068 0.000 1.041 55 T CA -0.715 61.426 62.100 0.067 0.000 1.007 55 T CB 1.542 70.422 68.868 0.019 0.000 1.220 55 T HN 0.440 nan 8.240 nan 0.000 0.552 56 Q N -0.361 119.420 119.800 -0.031 0.000 2.437 56 Q HA -0.023 4.317 4.340 -0.000 0.000 0.210 56 Q C 1.691 177.633 176.000 -0.097 0.000 0.972 56 Q CA 0.934 56.668 55.803 -0.115 0.000 0.903 56 Q CB 0.031 28.595 28.738 -0.289 0.000 0.967 56 Q HN 0.494 nan 8.270 nan 0.000 0.486 57 Q N -0.393 119.357 119.800 -0.083 0.000 2.319 57 Q HA 0.088 4.428 4.340 -0.000 0.000 0.202 57 Q C -0.002 175.975 176.000 -0.038 0.000 0.896 57 Q CA 0.301 56.023 55.803 -0.134 0.000 0.942 57 Q CB 0.891 29.519 28.738 -0.183 0.000 1.083 57 Q HN 0.191 nan 8.270 nan 0.000 0.510 58 T N 1.783 116.367 114.554 0.049 0.000 2.851 58 T HA 0.268 4.618 4.350 -0.000 0.000 0.298 58 T C 0.037 174.770 174.700 0.056 0.000 0.977 58 T CA -0.181 61.936 62.100 0.028 0.000 1.126 58 T CB 0.630 69.501 68.868 0.005 0.000 0.916 58 T HN -0.026 nan 8.240 nan 0.000 0.529 59 L N 3.994 125.210 121.223 -0.011 0.000 2.275 59 L HA 0.517 4.857 4.340 -0.000 0.000 0.288 59 L C -0.538 176.328 176.870 -0.006 0.000 1.046 59 L CA -0.066 54.795 54.840 0.035 0.000 0.805 59 L CB 0.376 42.393 42.059 -0.071 0.000 1.193 59 L HN 0.541 nan 8.230 nan 0.000 0.426 60 F N 0.750 120.755 119.950 0.091 0.000 2.538 60 F HA 0.417 4.944 4.527 -0.000 0.000 0.325 60 F C 0.518 176.115 175.800 -0.338 0.000 1.066 60 F CA -0.922 57.098 58.000 0.034 0.000 0.946 60 F CB 1.265 40.419 39.000 0.257 0.000 1.199 60 F HN 0.385 nan 8.300 nan 0.000 0.473 61 E N 2.655 122.348 120.200 -0.845 0.000 2.257 61 E HA 0.129 4.479 4.350 -0.000 0.000 0.278 61 E C 0.576 177.087 176.600 -0.150 0.000 1.049 61 E CA -0.030 56.037 56.400 -0.555 0.000 0.876 61 E CB 0.737 29.997 29.700 -0.733 0.000 1.035 61 E HN 0.611 nan 8.360 nan 0.000 0.419 62 L N 2.997 124.215 121.223 -0.010 0.000 2.376 62 L HA -0.008 4.331 4.340 -0.000 0.000 0.219 62 L C 1.496 178.461 176.870 0.159 0.000 1.133 62 L CA 0.589 55.496 54.840 0.113 0.000 0.816 62 L CB -0.992 41.138 42.059 0.118 0.000 0.933 62 L HN 0.902 nan 8.230 nan 0.000 0.449 63 G N 0.501 109.393 108.800 0.153 0.000 2.614 63 G HA2 -0.393 3.566 3.960 -0.000 0.000 0.303 63 G HA3 -0.393 3.566 3.960 -0.000 0.000 0.303 63 G C 0.839 175.889 174.900 0.250 0.000 1.270 63 G CA 0.433 45.663 45.100 0.216 0.000 0.988 63 G HN 0.248 nan 8.290 nan 0.000 0.551 64 S N -0.102 115.748 115.700 0.251 0.000 2.507 64 S HA 0.036 4.506 4.470 -0.000 0.000 0.235 64 S C 2.341 177.075 174.600 0.224 0.000 0.988 64 S CA 1.229 59.593 58.200 0.273 0.000 0.944 64 S CB -0.033 63.367 63.200 0.333 0.000 0.762 64 S HN 0.750 nan 8.310 nan 0.000 0.526 65 V N 1.914 121.948 119.914 0.201 0.000 2.688 65 V HA -0.179 3.941 4.120 -0.000 0.000 0.256 65 V C 2.216 178.439 176.094 0.214 0.000 1.084 65 V CA 1.584 63.986 62.300 0.170 0.000 1.103 65 V CB -0.916 31.033 31.823 0.210 0.000 0.688 65 V HN 0.475 nan 8.190 nan 0.000 0.480 66 S N -0.289 115.561 115.700 0.251 0.000 2.400 66 S HA -0.259 4.210 4.470 -0.000 0.000 0.232 66 S C 1.918 176.682 174.600 0.273 0.000 1.025 66 S CA 1.452 59.827 58.200 0.292 0.000 0.993 66 S CB -0.298 63.003 63.200 0.169 0.000 0.808 66 S HN 0.644 nan 8.310 nan 0.000 0.478 67 K N 0.814 121.328 120.400 0.190 0.000 2.211 67 K HA -0.118 4.202 4.320 -0.000 0.000 0.204 67 K C 2.491 179.128 176.600 0.062 0.000 1.047 67 K CA 1.613 57.991 56.287 0.151 0.000 0.935 67 K CB -0.482 32.125 32.500 0.179 0.000 0.728 67 K HN 0.639 nan 8.250 nan 0.000 0.452 68 T N -1.207 113.292 114.554 -0.092 0.000 2.857 68 T HA -0.101 4.249 4.350 -0.000 0.000 0.266 68 T C 1.760 176.469 174.700 0.015 0.000 1.048 68 T CA 0.775 62.642 62.100 -0.389 0.000 1.139 68 T CB -0.381 67.809 68.868 -1.131 0.000 0.874 68 T HN 0.032 nan 8.240 nan 0.000 0.455 69 F N 2.245 122.253 119.950 0.097 0.000 2.134 69 F HA 0.010 4.537 4.527 0.000 0.000 0.299 69 F C 3.042 178.900 175.800 0.096 0.000 1.097 69 F CA 1.486 59.494 58.000 0.014 0.000 1.264 69 F CB -1.221 37.651 39.000 -0.213 0.000 1.001 69 F HN 0.143 nan 8.300 nan 0.000 0.479 70 T N -0.504 114.249 114.554 0.331 0.000 2.746 70 T HA -0.146 4.204 4.350 -0.000 0.000 0.267 70 T C 2.359 177.251 174.700 0.320 0.000 1.039 70 T CA 1.420 63.728 62.100 0.346 0.000 1.142 70 T CB -1.046 68.024 68.868 0.337 0.000 0.866 70 T HN 0.454 nan 8.240 nan 0.000 0.444 71 G N 0.876 109.829 108.800 0.255 0.000 2.418 71 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.217 71 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.217 71 G C 1.696 176.758 174.900 0.270 0.000 1.158 71 G CA 0.783 46.028 45.100 0.243 0.000 0.771 71 G HN 0.436 nan 8.290 nan 0.000 0.545 72 V N 0.540 120.622 119.914 0.280 0.000 2.358 72 V HA -0.084 4.036 4.120 -0.000 0.000 0.246 72 V C 2.663 178.875 176.094 0.198 0.000 1.047 72 V CA 1.476 63.947 62.300 0.286 0.000 1.035 72 V CB -0.296 31.794 31.823 0.444 0.000 0.658 72 V HN 0.341 nan 8.190 nan 0.000 0.452 73 L N 1.286 122.599 121.223 0.150 0.000 2.083 73 L HA -0.032 4.308 4.340 -0.000 0.000 0.209 73 L C 2.307 179.184 176.870 0.012 0.000 1.083 73 L CA 2.395 57.242 54.840 0.012 0.000 0.752 73 L CB -1.193 40.788 42.059 -0.128 0.000 0.899 73 L HN 0.273 nan 8.230 nan 0.000 0.433 74 G N -1.231 107.631 108.800 0.104 0.000 2.402 74 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.216 74 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.216 74 G C 1.524 176.525 174.900 0.169 0.000 1.162 74 G CA 0.533 45.702 45.100 0.115 0.000 0.777 74 G HN 0.581 nan 8.290 nan 0.000 0.539 75 G N 0.726 109.642 108.800 0.193 0.000 2.446 75 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.217 75 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.217 75 G C 1.441 176.397 174.900 0.093 0.000 1.168 75 G CA 1.399 46.590 45.100 0.153 0.000 0.771 75 G HN 0.485 nan 8.290 nan 0.000 0.551 76 D N 0.604 121.046 120.400 0.070 0.000 2.123 76 D HA -0.035 4.605 4.640 -0.000 0.000 0.196 76 D C 2.676 178.978 176.300 0.002 0.000 0.992 76 D CA 1.622 55.640 54.000 0.029 0.000 0.833 76 D CB -0.292 40.515 40.800 0.011 0.000 0.954 76 D HN 0.260 nan 8.370 nan 0.000 0.455 77 A N -0.226 122.583 122.820 -0.019 0.000 1.972 77 A HA -0.099 4.221 4.320 -0.000 0.000 0.219 77 A C 2.303 179.879 177.584 -0.014 0.000 1.169 77 A CA 1.101 53.111 52.037 -0.046 0.000 0.635 77 A CB -0.712 18.222 19.000 -0.110 0.000 0.810 77 A HN 0.388 nan 8.150 nan 0.000 0.446 78 I N -0.227 120.355 120.570 0.020 0.000 2.202 78 I HA -0.250 3.920 4.170 -0.000 0.000 0.242 78 I C 2.951 179.090 176.117 0.037 0.000 1.091 78 I CA 1.097 62.423 61.300 0.043 0.000 1.368 78 I CB -0.335 37.712 38.000 0.079 0.000 1.058 78 I HN 0.319 nan 8.210 nan 0.000 0.410 79 A N 0.711 123.552 122.820 0.035 0.000 1.940 79 A HA -0.201 4.119 4.320 -0.000 0.000 0.219 79 A C 2.337 179.930 177.584 0.015 0.000 1.176 79 A CA 1.496 53.549 52.037 0.027 0.000 0.631 79 A CB -0.615 18.400 19.000 0.025 0.000 0.814 79 A HN 0.331 nan 8.150 nan 0.000 0.446 80 R N -1.388 119.116 120.500 0.007 0.000 2.328 80 R HA 0.074 4.414 4.340 -0.000 0.000 0.207 80 R C 1.388 177.693 176.300 0.007 0.000 1.056 80 R CA 0.562 56.662 56.100 0.000 0.000 1.016 80 R CB -0.310 29.982 30.300 -0.014 0.000 0.872 80 R HN 0.745 nan 8.270 nan 0.000 0.471 81 G N 0.767 109.577 108.800 0.018 0.000 2.148 81 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.254 81 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.254 81 G C 0.548 175.470 174.900 0.037 0.000 0.981 81 G CA 0.647 45.764 45.100 0.028 0.000 0.670 81 G HN 0.456 nan 8.290 nan 0.000 0.528 82 E N -0.599 119.617 120.200 0.026 0.000 2.170 82 E HA 0.260 4.610 4.350 -0.000 0.000 0.191 82 E C 1.557 178.202 176.600 0.076 0.000 0.981 82 E CA 1.079 57.500 56.400 0.035 0.000 0.830 82 E CB 0.170 29.865 29.700 -0.008 0.000 0.775 82 E HN 0.890 nan 8.360 nan 0.000 0.470 83 I N -2.543 118.046 120.570 0.031 0.000 3.042 83 I HA 0.493 4.662 4.170 -0.000 0.000 0.310 83 I C -1.293 174.875 176.117 0.084 0.000 1.117 83 I CA -1.207 60.111 61.300 0.031 0.000 1.003 83 I CB 2.244 40.071 38.000 -0.289 0.000 1.228 83 I HN -0.348 nan 8.210 nan 0.000 0.443 84 K N 2.992 123.482 120.400 0.151 0.000 2.378 84 K HA 0.474 4.794 4.320 -0.000 0.000 0.252 84 K C 0.036 176.713 176.600 0.127 0.000 0.931 84 K CA -0.772 55.592 56.287 0.127 0.000 0.794 84 K CB 2.949 35.528 32.500 0.132 0.000 1.181 84 K HN 0.625 nan 8.250 nan 0.000 0.425 85 L N 1.087 122.365 121.223 0.092 0.000 2.275 85 L HA -0.172 4.168 4.340 -0.000 0.000 0.215 85 L C 2.046 178.944 176.870 0.047 0.000 1.119 85 L CA 1.315 56.189 54.840 0.056 0.000 0.790 85 L CB -0.291 41.756 42.059 -0.020 0.000 0.919 85 L HN 0.723 nan 8.230 nan 0.000 0.443 86 S N -2.541 113.201 115.700 0.070 0.000 2.522 86 S HA -0.021 4.449 4.470 -0.000 0.000 0.227 86 S C 0.614 175.280 174.600 0.110 0.000 0.986 86 S CA -0.139 58.101 58.200 0.068 0.000 0.929 86 S CB -0.357 62.882 63.200 0.064 0.000 0.769 86 S HN 0.235 nan 8.310 nan 0.000 0.529 87 D N 3.887 124.388 120.400 0.169 0.000 2.382 87 D HA 0.327 4.967 4.640 -0.000 0.000 0.245 87 D C -2.588 173.858 176.300 0.244 0.000 1.120 87 D CA -1.663 52.470 54.000 0.221 0.000 0.890 87 D CB 0.571 41.595 40.800 0.374 0.000 1.201 87 D HN 0.144 nan 8.370 nan 0.000 0.433 88 P HA 0.001 nan 4.420 nan 0.000 0.266 88 P C 0.819 178.281 177.300 0.270 0.000 1.195 88 P CA 0.043 63.271 63.100 0.214 0.000 0.768 88 P CB 0.511 32.298 31.700 0.145 0.000 0.838 89 T N 0.532 115.269 114.554 0.306 0.000 2.737 89 T HA -0.181 4.169 4.350 -0.000 0.000 0.269 89 T C 1.787 176.625 174.700 0.230 0.000 1.040 89 T CA 2.128 64.409 62.100 0.302 0.000 1.142 89 T CB -0.703 68.347 68.868 0.303 0.000 0.861 89 T HN 0.497 nan 8.240 nan 0.000 0.456 90 T N 0.652 115.295 114.554 0.150 0.000 2.977 90 T HA -0.052 4.298 4.350 -0.000 0.000 0.271 90 T C 1.877 176.587 174.700 0.016 0.000 1.105 90 T CA 1.157 63.294 62.100 0.062 0.000 1.116 90 T CB -0.265 68.627 68.868 0.040 0.000 0.878 90 T HN 0.416 nan 8.240 nan 0.000 0.509 91 K N -0.721 119.646 120.400 -0.055 0.000 2.097 91 K HA -0.098 4.222 4.320 -0.000 0.000 0.206 91 K C 1.115 177.450 176.600 -0.440 0.000 1.049 91 K CA 1.543 57.637 56.287 -0.322 0.000 0.933 91 K CB -0.089 32.066 32.500 -0.576 0.000 0.717 91 K HN 0.523 nan 8.250 nan 0.000 0.442 92 Y N -2.745 117.588 120.300 0.055 0.000 2.449 92 Y HA 0.125 4.675 4.550 -0.000 0.000 0.254 92 Y C 0.220 176.163 175.900 0.071 0.000 1.140 92 Y CA -0.600 57.515 58.100 0.024 0.000 1.272 92 Y CB 0.536 38.980 38.460 -0.027 0.000 1.114 92 Y HN 0.107 nan 8.280 nan 0.000 0.525 93 W N 3.917 125.211 121.300 -0.011 0.000 2.036 93 W HA 0.394 5.054 4.660 -0.000 0.000 0.294 93 W C -2.312 174.150 176.519 -0.096 0.000 0.948 93 W CA -3.573 53.725 57.345 -0.079 0.000 1.774 93 W CB 0.939 30.301 29.460 -0.164 0.000 1.950 93 W HN -0.131 nan 8.180 nan 0.000 0.384 94 P HA -0.214 nan 4.420 nan 0.000 0.219 94 P C 0.758 178.028 177.300 -0.051 0.000 1.146 94 P CA 1.777 64.894 63.100 0.028 0.000 0.808 94 P CB 0.492 32.209 31.700 0.030 0.000 0.779 95 E N -0.671 119.486 120.200 -0.072 0.000 2.418 95 E HA -0.033 4.317 4.350 -0.000 0.000 0.197 95 E C 0.733 177.056 176.600 -0.463 0.000 1.026 95 E CA 0.163 56.437 56.400 -0.210 0.000 0.862 95 E CB -0.678 28.956 29.700 -0.110 0.000 0.799 95 E HN 0.149 nan 8.360 nan 0.000 0.518 96 L N 1.666 122.484 121.223 -0.675 0.000 2.375 96 L HA 0.119 4.459 4.340 -0.000 0.000 0.276 96 L C 0.686 177.344 176.870 -0.354 0.000 1.162 96 L CA 0.390 54.783 54.840 -0.746 0.000 0.991 96 L CB 0.014 41.404 42.059 -1.115 0.000 1.315 96 L HN 0.045 nan 8.230 nan 0.000 0.431 97 T N -0.132 114.297 114.554 -0.209 0.000 3.023 97 T HA 0.406 4.756 4.350 -0.000 0.000 0.253 97 T C 0.854 175.570 174.700 0.027 0.000 1.038 97 T CA 0.230 62.290 62.100 -0.066 0.000 0.962 97 T CB 0.120 68.952 68.868 -0.059 0.000 1.018 97 T HN 0.503 nan 8.240 nan 0.000 0.521 98 A N 2.632 125.496 122.820 0.073 0.000 2.498 98 A HA 0.342 4.662 4.320 -0.000 0.000 0.239 98 A C 1.592 179.307 177.584 0.218 0.000 1.068 98 A CA -0.181 51.948 52.037 0.154 0.000 0.766 98 A CB 0.322 19.446 19.000 0.206 0.000 1.003 98 A HN 0.634 nan 8.150 nan 0.000 0.497 99 K N 1.515 121.985 120.400 0.115 0.000 2.147 99 K HA -0.208 4.112 4.320 -0.000 0.000 0.205 99 K C 1.481 178.122 176.600 0.068 0.000 1.049 99 K CA 1.390 57.726 56.287 0.082 0.000 0.936 99 K CB -0.112 32.406 32.500 0.030 0.000 0.722 99 K HN 0.789 nan 8.250 nan 0.000 0.446 100 Q N 0.659 120.465 119.800 0.010 0.000 2.364 100 Q HA -0.169 4.171 4.340 -0.000 0.000 0.209 100 Q C 0.913 176.813 176.000 -0.166 0.000 0.977 100 Q CA 1.251 56.964 55.803 -0.150 0.000 0.885 100 Q CB -0.516 28.016 28.738 -0.343 0.000 0.941 100 Q HN 0.601 nan 8.270 nan 0.000 0.464 101 W N 1.937 123.296 121.300 0.099 0.000 2.905 101 W HA 0.136 4.796 4.660 -0.000 0.000 0.251 101 W C 0.218 176.804 176.519 0.111 0.000 1.305 101 W CA -0.487 56.940 57.345 0.137 0.000 1.465 101 W CB 0.061 29.583 29.460 0.103 0.000 1.122 101 W HN -0.017 nan 8.180 nan 0.000 0.659 102 N N 0.946 119.778 118.700 0.220 0.000 2.411 102 N HA 0.118 4.858 4.740 -0.000 0.000 0.261 102 N C 1.184 176.787 175.510 0.155 0.000 1.248 102 N CA 1.695 54.844 53.050 0.165 0.000 0.885 102 N CB 0.537 39.086 38.487 0.103 0.000 1.062 102 N HN 0.267 nan 8.380 nan 0.000 0.471 103 G N 1.771 110.682 108.800 0.185 0.000 2.179 103 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.260 103 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.260 103 G C 0.136 175.211 174.900 0.292 0.000 0.977 103 G CA -0.251 44.972 45.100 0.205 0.000 0.641 103 G HN 0.592 nan 8.290 nan 0.000 0.533 104 I N 2.766 123.531 120.570 0.325 0.000 2.301 104 I HA 0.359 4.529 4.170 -0.000 0.000 0.292 104 I C 1.195 177.613 176.117 0.501 0.000 1.046 104 I CA 0.200 61.768 61.300 0.447 0.000 1.282 104 I CB 0.923 39.140 38.000 0.360 0.000 1.409 104 I HN 0.298 nan 8.210 nan 0.000 0.484 105 T N 3.048 117.931 114.554 0.548 0.000 2.923 105 T HA 0.455 4.805 4.350 -0.000 0.000 0.281 105 T C 1.261 176.082 174.700 0.202 0.000 0.995 105 T CA -0.893 61.358 62.100 0.250 0.000 0.985 105 T CB 1.546 70.436 68.868 0.036 0.000 1.114 105 T HN 0.403 nan 8.240 nan 0.000 0.548 106 L N 0.300 121.631 121.223 0.181 0.000 2.079 106 L HA -0.045 4.295 4.340 -0.000 0.000 0.210 106 L C 2.570 179.445 176.870 0.009 0.000 1.081 106 L CA 0.972 55.926 54.840 0.190 0.000 0.752 106 L CB -0.848 41.347 42.059 0.227 0.000 0.896 106 L HN 0.597 nan 8.230 nan 0.000 0.433 107 L N -0.383 120.781 121.223 -0.098 0.000 2.013 107 L HA -0.277 4.063 4.340 -0.000 0.000 0.212 107 L C 2.746 179.540 176.870 -0.127 0.000 1.073 107 L CA 1.946 56.654 54.840 -0.220 0.000 0.753 107 L CB -0.833 41.104 42.059 -0.203 0.000 0.890 107 L HN 0.259 nan 8.230 nan 0.000 0.432 108 H N -0.300 118.828 119.070 0.097 0.000 2.319 108 H HA -0.151 4.405 4.556 -0.000 0.000 0.299 108 H C 2.380 177.697 175.328 -0.018 0.000 1.092 108 H CA 2.083 58.175 56.048 0.074 0.000 1.302 108 H CB -0.609 29.224 29.762 0.118 0.000 1.373 108 H HN 0.381 nan 8.280 nan 0.000 0.497 109 L N 0.110 121.406 121.223 0.121 0.000 2.017 109 L HA -0.138 4.202 4.340 -0.000 0.000 0.208 109 L C 2.888 179.666 176.870 -0.152 0.000 1.073 109 L CA 1.088 55.966 54.840 0.063 0.000 0.745 109 L CB -0.613 41.552 42.059 0.177 0.000 0.894 109 L HN 0.218 nan 8.230 nan 0.000 0.432 110 A N -0.208 122.353 122.820 -0.431 0.000 1.972 110 A HA -0.158 4.162 4.320 -0.000 0.000 0.219 110 A C 2.114 179.256 177.584 -0.737 0.000 1.169 110 A CA 2.053 53.570 52.037 -0.867 0.000 0.635 110 A CB -0.669 17.387 19.000 -1.574 0.000 0.810 110 A HN 0.528 nan 8.150 nan 0.000 0.446 111 T N -6.385 107.847 114.554 -0.537 0.000 3.129 111 T HA 0.330 4.680 4.350 -0.000 0.000 0.267 111 T C 0.255 174.711 174.700 -0.406 0.000 1.018 111 T CA 0.257 62.068 62.100 -0.481 0.000 0.903 111 T CB -0.750 68.120 68.868 0.004 0.000 1.067 111 T HN 0.699 nan 8.240 nan 0.000 0.549 112 Y N 0.923 121.189 120.300 -0.055 0.000 4.272 112 Y HA -0.274 4.276 4.550 0.000 0.000 0.232 112 Y C 1.133 176.983 175.900 -0.083 0.000 1.149 112 Y CA 0.515 58.585 58.100 -0.050 0.000 1.961 112 Y CB -2.941 35.502 38.460 -0.028 0.000 1.611 112 Y HN 0.590 nan 8.280 nan 0.000 0.682 113 T N -4.320 110.215 114.554 -0.032 0.000 3.182 113 T HA 0.659 5.009 4.350 -0.000 0.000 0.277 113 T C 1.374 176.037 174.700 -0.063 0.000 1.013 113 T CA 0.148 62.147 62.100 -0.167 0.000 0.900 113 T CB 0.788 69.292 68.868 -0.606 0.000 1.098 113 T HN 0.473 nan 8.240 nan 0.000 0.543 114 A N 1.468 124.312 122.820 0.040 0.000 2.067 114 A HA 0.542 4.862 4.320 -0.000 0.000 0.219 114 A C 1.910 179.547 177.584 0.090 0.000 1.158 114 A CA 0.808 52.853 52.037 0.013 0.000 0.661 114 A CB -0.822 18.182 19.000 0.007 0.000 0.801 114 A HN 1.498 nan 8.150 nan 0.000 0.452 115 G N -3.266 105.668 108.800 0.225 0.000 2.188 115 G HA2 0.424 4.384 3.960 -0.000 0.000 0.112 115 G HA3 0.424 4.384 3.960 -0.000 0.000 0.112 115 G C 0.954 176.177 174.900 0.539 0.000 1.048 115 G CA 0.337 45.668 45.100 0.384 0.000 0.720 115 G HN 1.976 nan 8.290 nan 0.000 0.487 116 G N -0.663 108.471 108.800 0.558 0.000 2.167 116 G HA2 -0.095 3.865 3.960 -0.000 0.000 0.194 116 G HA3 -0.095 3.865 3.960 -0.000 0.000 0.194 116 G C 0.447 175.615 174.900 0.447 0.000 1.027 116 G CA -0.026 45.369 45.100 0.492 0.000 0.717 116 G HN 1.269 nan 8.290 nan 0.000 0.501 117 L N 1.592 122.938 121.223 0.205 0.000 2.559 117 L HA 0.201 4.541 4.340 -0.000 0.000 0.282 117 L C -0.835 176.097 176.870 0.103 0.000 1.232 117 L CA -1.056 53.699 54.840 -0.143 0.000 0.885 117 L CB 0.308 42.178 42.059 -0.316 0.000 1.131 117 L HN 0.121 nan 8.230 nan 0.000 0.498 118 P HA -0.049 nan 4.420 nan 0.000 0.271 118 P C 0.540 177.926 177.300 0.143 0.000 1.218 118 P CA -0.508 62.706 63.100 0.190 0.000 0.780 118 P CB 1.000 32.854 31.700 0.257 0.000 0.901 119 L N 1.298 122.594 121.223 0.122 0.000 2.051 119 L HA -0.173 4.167 4.340 -0.000 0.000 0.214 119 L C 0.853 177.772 176.870 0.081 0.000 1.076 119 L CA 2.096 56.993 54.840 0.095 0.000 0.758 119 L CB -0.733 41.390 42.059 0.106 0.000 0.890 119 L HN 0.403 nan 8.230 nan 0.000 0.433 120 Q N -0.750 119.095 119.800 0.076 0.000 2.377 120 Q HA 0.399 4.739 4.340 -0.000 0.000 0.271 120 Q C -0.850 175.151 176.000 0.002 0.000 1.077 120 Q CA -0.904 54.928 55.803 0.047 0.000 0.820 120 Q CB 2.123 30.872 28.738 0.018 0.000 1.347 120 Q HN -0.099 nan 8.270 nan 0.000 0.444 121 V N 3.268 123.147 119.914 -0.059 0.000 2.479 121 V HA 0.115 4.235 4.120 -0.000 0.000 0.281 121 V C -1.956 173.962 176.094 -0.293 0.000 1.031 121 V CA -1.127 60.976 62.300 -0.328 0.000 1.038 121 V CB 0.120 31.784 31.823 -0.265 0.000 0.981 121 V HN 0.588 nan 8.190 nan 0.000 0.478 122 P HA -0.068 nan 4.420 nan 0.000 0.263 122 P C 0.658 177.861 177.300 -0.162 0.000 1.168 122 P CA 0.333 63.300 63.100 -0.221 0.000 0.759 122 P CB 0.454 32.012 31.700 -0.236 0.000 0.782 123 D N 2.053 122.406 120.400 -0.078 0.000 2.182 123 D HA -0.186 4.454 4.640 -0.000 0.000 0.201 123 D C 1.139 177.415 176.300 -0.040 0.000 0.986 123 D CA 1.515 55.490 54.000 -0.041 0.000 0.847 123 D CB 0.084 40.874 40.800 -0.015 0.000 0.942 123 D HN 0.373 nan 8.370 nan 0.000 0.467 124 E N -0.714 119.457 120.200 -0.048 0.000 2.285 124 E HA 0.057 4.407 4.350 -0.000 0.000 0.194 124 E C 0.185 176.764 176.600 -0.036 0.000 0.997 124 E CA 0.044 56.427 56.400 -0.029 0.000 0.845 124 E CB 0.318 30.008 29.700 -0.016 0.000 0.782 124 E HN 0.085 nan 8.360 nan 0.000 0.491 125 V N 2.050 121.914 119.914 -0.083 0.000 2.446 125 V HA -0.011 4.109 4.120 -0.000 0.000 0.276 125 V C 0.816 176.881 176.094 -0.048 0.000 1.030 125 V CA 0.703 62.952 62.300 -0.086 0.000 1.033 125 V CB 0.830 32.517 31.823 -0.226 0.000 0.993 125 V HN 0.172 nan 8.190 nan 0.000 0.477 126 K N 2.476 122.871 120.400 -0.008 0.000 2.448 126 K HA 0.189 4.509 4.320 -0.000 0.000 0.220 126 K C 0.996 177.606 176.600 0.017 0.000 1.259 126 K CA 0.330 56.619 56.287 0.002 0.000 0.810 126 K CB 0.187 32.691 32.500 0.007 0.000 1.540 126 K HN 0.668 nan 8.250 nan 0.000 0.434 127 S N 0.897 116.616 115.700 0.032 0.000 2.624 127 S HA 0.015 4.485 4.470 -0.000 0.000 0.263 127 S C 1.320 175.962 174.600 0.071 0.000 1.287 127 S CA -0.008 58.217 58.200 0.042 0.000 0.990 127 S CB 1.408 64.634 63.200 0.044 0.000 0.950 127 S HN 0.315 nan 8.310 nan 0.000 0.561 128 S N 1.071 116.813 115.700 0.071 0.000 2.399 128 S HA -0.174 4.296 4.470 -0.000 0.000 0.231 128 S C 1.958 176.666 174.600 0.180 0.000 1.022 128 S CA 1.276 59.544 58.200 0.112 0.000 0.983 128 S CB -1.424 61.819 63.200 0.072 0.000 0.803 128 S HN 1.056 nan 8.310 nan 0.000 0.480 129 S N 2.118 117.897 115.700 0.133 0.000 2.387 129 S HA -0.099 4.371 4.470 -0.000 0.000 0.226 129 S C 1.441 176.126 174.600 0.141 0.000 1.026 129 S CA 0.976 59.256 58.200 0.133 0.000 0.972 129 S CB -0.693 62.560 63.200 0.089 0.000 0.814 129 S HN 0.433 nan 8.310 nan 0.000 0.477 130 D N 1.597 122.072 120.400 0.124 0.000 2.117 130 D HA -0.023 4.617 4.640 -0.000 0.000 0.197 130 D C 1.842 178.259 176.300 0.195 0.000 0.987 130 D CA 0.767 54.841 54.000 0.123 0.000 0.829 130 D CB -0.472 40.373 40.800 0.076 0.000 0.961 130 D HN 0.317 nan 8.370 nan 0.000 0.460 131 L N 0.445 121.816 121.223 0.246 0.000 2.056 131 L HA -0.082 4.258 4.340 -0.000 0.000 0.207 131 L C 2.151 179.373 176.870 0.586 0.000 1.078 131 L CA 1.013 56.098 54.840 0.408 0.000 0.749 131 L CB -0.564 41.728 42.059 0.389 0.000 0.901 131 L HN 0.001 nan 8.230 nan 0.000 0.433 132 L N -0.302 121.214 121.223 0.487 0.000 2.012 132 L HA -0.235 4.105 4.340 -0.000 0.000 0.210 132 L C 2.698 179.629 176.870 0.101 0.000 1.073 132 L CA 1.916 56.888 54.840 0.219 0.000 0.748 132 L CB -0.765 41.376 42.059 0.136 0.000 0.891 132 L HN 0.295 nan 8.230 nan 0.000 0.431 133 R N -1.409 119.178 120.500 0.144 0.000 2.083 133 R HA -0.247 4.093 4.340 -0.000 0.000 0.237 133 R C 2.390 178.785 176.300 0.158 0.000 1.137 133 R CA 2.011 58.181 56.100 0.117 0.000 0.951 133 R CB -0.692 29.678 30.300 0.117 0.000 0.851 133 R HN 0.458 nan 8.270 nan 0.000 0.434 134 F N 0.693 120.672 119.950 0.047 0.000 2.043 134 F HA -0.306 4.221 4.527 -0.000 0.000 0.297 134 F C 1.664 177.482 175.800 0.030 0.000 1.118 134 F CA 1.755 59.743 58.000 -0.020 0.000 1.202 134 F CB -0.859 38.053 39.000 -0.147 0.000 0.965 134 F HN 0.042 nan 8.300 nan 0.000 0.482 135 Y N 0.507 120.767 120.300 -0.067 0.000 2.242 135 Y HA -0.189 4.361 4.550 0.000 0.000 0.291 135 Y C 2.669 178.696 175.900 0.211 0.000 1.137 135 Y CA 1.639 59.728 58.100 -0.017 0.000 1.181 135 Y CB -1.018 37.388 38.460 -0.089 0.000 0.989 135 Y HN 0.166 nan 8.280 nan 0.000 0.527 136 Q N -0.104 119.787 119.800 0.151 0.000 2.170 136 Q HA -0.161 4.179 4.340 -0.000 0.000 0.203 136 Q C 1.344 177.460 176.000 0.193 0.000 0.976 136 Q CA 1.120 57.013 55.803 0.149 0.000 0.858 136 Q CB -0.268 28.468 28.738 -0.002 0.000 0.907 136 Q HN 0.512 nan 8.270 nan 0.000 0.433 137 N N -0.776 118.007 118.700 0.138 0.000 2.392 137 N HA -0.044 4.696 4.740 -0.000 0.000 0.177 137 N C -0.062 175.484 175.510 0.061 0.000 1.066 137 N CA -0.073 53.025 53.050 0.080 0.000 0.895 137 N CB -0.003 38.525 38.487 0.068 0.000 0.988 137 N HN 0.217 nan 8.380 nan 0.000 0.457 138 W N 3.391 124.623 121.300 -0.113 0.000 2.295 138 W HA 0.038 4.698 4.660 -0.000 0.000 0.335 138 W C -0.449 175.971 176.519 -0.165 0.000 1.351 138 W CA 0.192 57.422 57.345 -0.192 0.000 1.273 138 W CB 0.485 29.779 29.460 -0.277 0.000 1.214 138 W HN -0.087 nan 8.180 nan 0.000 0.563 139 Q N 8.556 127.768 119.800 -0.981 0.000 2.333 139 Q HA 0.318 4.657 4.340 -0.000 0.000 0.268 139 Q C -2.068 173.044 176.000 -1.481 0.000 1.007 139 Q CA -2.117 53.044 55.803 -1.071 0.000 0.810 139 Q CB 1.312 29.727 28.738 -0.537 0.000 1.264 139 Q HN 0.381 nan 8.270 nan 0.000 0.452 140 P HA 0.068 nan 4.420 nan 0.000 0.268 140 P C -0.088 176.816 177.300 -0.660 0.000 1.205 140 P CA 0.069 62.511 63.100 -1.098 0.000 0.771 140 P CB 0.899 32.137 31.700 -0.770 0.000 0.858 141 A N 2.934 125.367 122.820 -0.645 0.000 2.016 141 A HA 0.066 4.386 4.320 -0.000 0.000 0.217 141 A C 0.401 177.289 177.584 -1.160 0.000 1.162 141 A CA 0.766 52.158 52.037 -1.075 0.000 0.662 141 A CB -0.262 17.676 19.000 -1.771 0.000 0.812 141 A HN 0.592 nan 8.150 nan 0.000 0.450 142 W N -3.051 118.200 121.300 -0.081 0.000 3.075 142 W HA 0.626 5.286 4.660 -0.000 0.000 0.334 142 W C -0.029 176.435 176.519 -0.092 0.000 1.243 142 W CA -1.238 56.063 57.345 -0.073 0.000 1.170 142 W CB 0.914 30.346 29.460 -0.047 0.000 1.452 142 W HN 0.123 nan 8.180 nan 0.000 0.572 143 A N 2.390 125.303 122.820 0.156 0.000 2.406 143 A HA 0.572 4.892 4.320 -0.000 0.000 0.243 143 A C -2.225 175.367 177.584 0.013 0.000 1.082 143 A CA -0.811 51.252 52.037 0.043 0.000 0.786 143 A CB -0.745 18.277 19.000 0.037 0.000 1.029 143 A HN 0.135 nan 8.150 nan 0.000 0.495 144 P HA 0.308 nan 4.420 nan 0.000 0.268 144 P C 0.753 177.909 177.300 -0.241 0.000 1.205 144 P CA 1.541 64.458 63.100 -0.305 0.000 0.771 144 P CB 0.609 32.032 31.700 -0.462 0.000 0.858 145 G N 1.635 110.262 108.800 -0.289 0.000 2.160 145 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.251 145 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.251 145 G C 0.637 175.494 174.900 -0.072 0.000 1.008 145 G CA 0.718 45.821 45.100 0.005 0.000 0.724 145 G HN 0.697 nan 8.290 nan 0.000 0.514 146 T N -4.917 109.547 114.554 -0.150 0.000 2.987 146 T HA 0.437 4.787 4.350 -0.000 0.000 0.248 146 T C 0.562 175.114 174.700 -0.247 0.000 0.997 146 T CA 0.787 62.818 62.100 -0.115 0.000 1.013 146 T CB 0.630 69.472 68.868 -0.044 0.000 1.077 146 T HN 0.283 nan 8.240 nan 0.000 0.483 147 Q N 0.954 120.558 119.800 -0.326 0.000 2.372 147 Q HA 0.481 4.821 4.340 -0.000 0.000 0.273 147 Q C -1.331 174.465 176.000 -0.340 0.000 1.078 147 Q CA -0.521 55.008 55.803 -0.457 0.000 0.806 147 Q CB 3.124 31.288 28.738 -0.956 0.000 1.332 147 Q HN 0.354 nan 8.270 nan 0.000 0.435 148 R N 2.165 122.498 120.500 -0.278 0.000 2.229 148 R HA 0.473 4.813 4.340 -0.000 0.000 0.328 148 R C -1.124 175.145 176.300 -0.051 0.000 1.009 148 R CA -0.532 55.493 56.100 -0.126 0.000 0.864 148 R CB 0.408 30.673 30.300 -0.059 0.000 1.085 148 R HN 0.431 nan 8.270 nan 0.000 0.453 149 L N 6.189 127.452 121.223 0.067 0.000 2.377 149 L HA 0.260 4.600 4.340 -0.000 0.000 0.270 149 L C -1.322 175.586 176.870 0.063 0.000 0.991 149 L CA -0.723 54.183 54.840 0.110 0.000 0.851 149 L CB 0.923 43.139 42.059 0.262 0.000 1.218 149 L HN 0.588 nan 8.230 nan 0.000 0.420 150 Y N 4.768 124.934 120.300 -0.223 0.000 2.810 150 Y HA 0.354 4.904 4.550 -0.000 0.000 0.332 150 Y C 0.076 175.783 175.900 -0.321 0.000 1.243 150 Y CA 0.979 58.705 58.100 -0.624 0.000 1.537 150 Y CB 0.507 38.684 38.460 -0.472 0.000 1.265 150 Y HN 0.828 nan 8.280 nan 0.000 0.572 151 A N 5.541 127.896 122.820 -0.774 0.000 2.500 151 A HA 0.272 4.592 4.320 -0.000 0.000 0.291 151 A C -0.133 177.350 177.584 -0.168 0.000 1.048 151 A CA -0.878 51.023 52.037 -0.227 0.000 0.791 151 A CB 0.695 19.710 19.000 0.025 0.000 1.309 151 A HN 0.784 nan 8.150 nan 0.000 0.397 152 N N 1.165 119.823 118.700 -0.069 0.000 2.166 152 N HA -0.148 4.592 4.740 -0.000 0.000 0.186 152 N C 2.033 177.614 175.510 0.118 0.000 1.019 152 N CA 2.011 55.094 53.050 0.055 0.000 0.856 152 N CB -0.082 38.500 38.487 0.159 0.000 0.993 152 N HN 0.851 nan 8.380 nan 0.000 0.426 153 S N -1.164 114.630 115.700 0.156 0.000 2.515 153 S HA 0.052 4.522 4.470 -0.000 0.000 0.231 153 S C 1.966 176.741 174.600 0.291 0.000 0.987 153 S CA 0.869 59.237 58.200 0.280 0.000 0.936 153 S CB -0.003 63.406 63.200 0.347 0.000 0.766 153 S HN 0.197 nan 8.310 nan 0.000 0.528 154 S N 1.275 117.090 115.700 0.191 0.000 2.324 154 S HA 0.235 4.705 4.470 -0.000 0.000 0.210 154 S C 1.643 176.324 174.600 0.134 0.000 1.027 154 S CA 0.491 58.790 58.200 0.165 0.000 0.945 154 S CB -0.605 62.707 63.200 0.187 0.000 0.908 154 S HN 0.565 nan 8.310 nan 0.000 0.496 155 I N 1.327 121.970 120.570 0.123 0.000 2.493 155 I HA -0.018 4.152 4.170 -0.000 0.000 0.254 155 I C 2.148 178.333 176.117 0.113 0.000 1.160 155 I CA 1.226 62.581 61.300 0.092 0.000 1.445 155 I CB -0.661 37.368 38.000 0.048 0.000 1.086 155 I HN 0.494 nan 8.210 nan 0.000 0.433 156 G N 1.059 109.898 108.800 0.064 0.000 2.446 156 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.217 156 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.217 156 G C 1.539 176.392 174.900 -0.079 0.000 1.168 156 G CA 1.008 46.084 45.100 -0.040 0.000 0.771 156 G HN 0.394 nan 8.290 nan 0.000 0.551 157 L N -0.307 120.920 121.223 0.007 0.000 2.056 157 L HA 0.164 4.504 4.340 -0.000 0.000 0.207 157 L C 2.438 179.254 176.870 -0.091 0.000 1.078 157 L CA 1.457 56.238 54.840 -0.099 0.000 0.749 157 L CB -0.753 41.202 42.059 -0.174 0.000 0.901 157 L HN 0.233 nan 8.230 nan 0.000 0.433 158 F N 0.456 120.332 119.950 -0.122 0.000 2.091 158 F HA -0.152 4.374 4.527 -0.000 0.000 0.299 158 F C 2.148 177.871 175.800 -0.129 0.000 1.103 158 F CA 1.917 59.845 58.000 -0.121 0.000 1.228 158 F CB -1.030 37.909 39.000 -0.101 0.000 0.984 158 F HN 0.122 nan 8.300 nan 0.000 0.477 159 G N -0.413 108.251 108.800 -0.226 0.000 2.421 159 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.216 159 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.216 159 G C 1.825 176.556 174.900 -0.282 0.000 1.171 159 G CA 0.938 45.876 45.100 -0.270 0.000 0.775 159 G HN 0.667 nan 8.290 nan 0.000 0.543 160 A N 0.536 123.137 122.820 -0.366 0.000 1.902 160 A HA 0.113 4.433 4.320 -0.000 0.000 0.217 160 A C 2.419 179.817 177.584 -0.311 0.000 1.181 160 A CA 1.285 53.128 52.037 -0.323 0.000 0.623 160 A CB -0.367 18.409 19.000 -0.374 0.000 0.818 160 A HN 0.354 nan 8.150 nan 0.000 0.443 161 L N -1.006 120.001 121.223 -0.359 0.000 2.179 161 L HA -0.073 4.267 4.340 -0.000 0.000 0.208 161 L C 2.980 179.598 176.870 -0.419 0.000 1.096 161 L CA 0.744 55.382 54.840 -0.337 0.000 0.779 161 L CB -0.582 41.323 42.059 -0.257 0.000 0.922 161 L HN 0.418 nan 8.230 nan 0.000 0.443 162 A N 0.446 122.933 122.820 -0.556 0.000 1.972 162 A HA -0.145 4.175 4.320 -0.000 0.000 0.219 162 A C 2.157 179.530 177.584 -0.352 0.000 1.169 162 A CA 1.907 53.582 52.037 -0.604 0.000 0.635 162 A CB -0.658 17.845 19.000 -0.830 0.000 0.810 162 A HN 0.350 nan 8.150 nan 0.000 0.446 163 V N -4.124 115.644 119.914 -0.242 0.000 3.608 163 V HA 0.099 4.219 4.120 -0.000 0.000 0.269 163 V C 1.661 177.682 176.094 -0.122 0.000 1.245 163 V CA 0.811 63.015 62.300 -0.159 0.000 1.138 163 V CB -0.338 31.419 31.823 -0.111 0.000 0.841 163 V HN 0.244 nan 8.190 nan 0.000 0.451 164 K N 1.554 121.879 120.400 -0.124 0.000 2.032 164 K HA -0.050 4.270 4.320 -0.000 0.000 0.209 164 K C 0.225 176.815 176.600 -0.018 0.000 1.048 164 K CA 2.032 58.278 56.287 -0.068 0.000 0.927 164 K CB -1.767 30.707 32.500 -0.043 0.000 0.712 164 K HN 0.478 nan 8.250 nan 0.000 0.441 165 P HA -0.119 nan 4.420 nan 0.000 0.218 165 P C 1.470 178.765 177.300 -0.009 0.000 1.148 165 P CA 1.486 64.605 63.100 0.033 0.000 0.822 165 P CB -0.080 31.663 31.700 0.072 0.000 0.784 166 S N -1.382 114.294 115.700 -0.040 0.000 2.447 166 S HA 0.026 4.496 4.470 -0.000 0.000 0.233 166 S C 1.952 176.523 174.600 -0.048 0.000 1.006 166 S CA 1.127 59.296 58.200 -0.051 0.000 0.957 166 S CB -1.552 61.601 63.200 -0.079 0.000 0.773 166 S HN 0.304 nan 8.310 nan 0.000 0.507 167 G N 0.771 109.544 108.800 -0.046 0.000 2.212 167 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.266 167 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.266 167 G C 0.064 174.932 174.900 -0.053 0.000 0.978 167 G CA 0.588 45.662 45.100 -0.043 0.000 0.632 167 G HN 0.603 nan 8.290 nan 0.000 0.537 168 L N 1.750 122.932 121.223 -0.068 0.000 2.436 168 L HA 0.511 4.851 4.340 -0.000 0.000 0.265 168 L C 1.580 178.405 176.870 -0.075 0.000 1.168 168 L CA -0.113 54.681 54.840 -0.078 0.000 0.815 168 L CB 0.917 42.913 42.059 -0.105 0.000 1.109 168 L HN 0.422 nan 8.230 nan 0.000 0.462 169 S N 0.580 116.241 115.700 -0.066 0.000 2.584 169 S HA 0.000 4.470 4.470 -0.000 0.000 0.270 169 S C 0.818 175.388 174.600 -0.050 0.000 1.346 169 S CA -0.374 57.800 58.200 -0.042 0.000 1.018 169 S CB 0.393 63.574 63.200 -0.031 0.000 0.899 169 S HN 0.552 nan 8.310 nan 0.000 0.542 170 F N 1.264 121.123 119.950 -0.151 0.000 2.126 170 F HA -0.095 4.432 4.527 -0.000 0.000 0.299 170 F C 2.476 178.165 175.800 -0.186 0.000 1.096 170 F CA 2.201 60.094 58.000 -0.178 0.000 1.255 170 F CB -0.428 38.465 39.000 -0.179 0.000 0.997 170 F HN 0.946 nan 8.300 nan 0.000 0.479 171 E N -0.507 119.655 120.200 -0.062 0.000 2.051 171 E HA -0.260 4.090 4.350 -0.000 0.000 0.192 171 E C 2.175 178.631 176.600 -0.240 0.000 0.991 171 E CA 1.370 57.681 56.400 -0.148 0.000 0.799 171 E CB -0.135 29.560 29.700 -0.008 0.000 0.748 171 E HN 0.394 nan 8.360 nan 0.000 0.449 172 Q N -0.024 119.671 119.800 -0.175 0.000 2.119 172 Q HA -0.092 4.248 4.340 -0.000 0.000 0.201 172 Q C 2.085 177.935 176.000 -0.250 0.000 0.972 172 Q CA 1.336 57.036 55.803 -0.172 0.000 0.847 172 Q CB -0.397 28.275 28.738 -0.110 0.000 0.903 172 Q HN 0.388 nan 8.270 nan 0.000 0.433 173 A N 0.648 123.289 122.820 -0.299 0.000 1.865 173 A HA -0.226 4.094 4.320 -0.000 0.000 0.217 173 A C 2.173 179.474 177.584 -0.473 0.000 1.191 173 A CA 1.967 53.798 52.037 -0.343 0.000 0.623 173 A CB -0.537 18.254 19.000 -0.347 0.000 0.826 173 A HN 0.358 nan 8.150 nan 0.000 0.444 174 M N -0.196 118.981 119.600 -0.706 0.000 2.086 174 M HA -0.213 4.267 4.480 -0.000 0.000 0.261 174 M C 2.203 177.911 176.300 -0.987 0.000 1.067 174 M CA 2.076 56.816 55.300 -0.934 0.000 1.116 174 M CB -0.552 31.319 32.600 -1.214 0.000 1.348 174 M HN 0.540 nan 8.290 nan 0.000 0.407 175 Q N -1.042 118.324 119.800 -0.723 0.000 2.030 175 Q HA -0.192 4.148 4.340 -0.000 0.000 0.204 175 Q C 1.960 177.800 176.000 -0.266 0.000 0.986 175 Q CA 2.507 58.063 55.803 -0.413 0.000 0.843 175 Q CB -0.582 28.020 28.738 -0.227 0.000 0.904 175 Q HN 0.776 nan 8.270 nan 0.000 0.420 176 T N -2.048 112.363 114.554 -0.238 0.000 3.014 176 T HA 0.038 4.387 4.350 -0.000 0.000 0.263 176 T C 1.688 176.303 174.700 -0.142 0.000 1.078 176 T CA 0.483 62.489 62.100 -0.156 0.000 1.135 176 T CB 0.052 68.843 68.868 -0.129 0.000 0.895 176 T HN 0.135 nan 8.240 nan 0.000 0.480 177 R N -0.013 120.373 120.500 -0.190 0.000 2.237 177 R HA 0.362 4.702 4.340 -0.000 0.000 0.195 177 R C 1.633 177.874 176.300 -0.097 0.000 0.956 177 R CA 0.302 56.319 56.100 -0.137 0.000 1.029 177 R CB 0.354 30.563 30.300 -0.152 0.000 0.972 177 R HN 0.296 nan 8.270 nan 0.000 0.493 178 V N -1.021 118.802 119.914 -0.152 0.000 3.134 178 V HA 0.032 4.152 4.120 -0.000 0.000 0.222 178 V C 1.432 177.594 176.094 0.114 0.000 1.247 178 V CA 0.448 62.735 62.300 -0.022 0.000 1.281 178 V CB -0.382 31.398 31.823 -0.072 0.000 1.169 178 V HN -0.027 nan 8.190 nan 0.000 0.512 179 F N 1.494 121.373 119.950 -0.119 0.000 2.102 179 F HA -0.149 4.378 4.527 -0.000 0.000 0.298 179 F C 2.609 178.321 175.800 -0.147 0.000 1.105 179 F CA 1.592 59.484 58.000 -0.179 0.000 1.239 179 F CB -1.136 37.649 39.000 -0.357 0.000 0.991 179 F HN 0.203 nan 8.300 nan 0.000 0.474 180 Q N -0.397 119.431 119.800 0.047 0.000 2.049 180 Q HA -0.116 4.224 4.340 -0.000 0.000 0.198 180 Q C -0.406 175.593 176.000 -0.002 0.000 0.971 180 Q CA 1.560 57.351 55.803 -0.021 0.000 0.833 180 Q CB -1.348 27.355 28.738 -0.058 0.000 0.896 180 Q HN 0.271 nan 8.270 nan 0.000 0.434 181 P HA -0.121 nan 4.420 nan 0.000 0.220 181 P C 0.632 177.957 177.300 0.041 0.000 1.148 181 P CA 1.140 64.250 63.100 0.017 0.000 0.803 181 P CB 0.059 31.769 31.700 0.016 0.000 0.782 182 L N -1.273 120.000 121.223 0.083 0.000 2.591 182 L HA 0.153 4.493 4.340 -0.000 0.000 0.228 182 L C 0.434 177.350 176.870 0.077 0.000 1.133 182 L CA 0.133 55.039 54.840 0.109 0.000 0.880 182 L CB -0.681 41.510 42.059 0.219 0.000 1.033 182 L HN -0.069 nan 8.230 nan 0.000 0.450 183 K N 0.845 121.265 120.400 0.034 0.000 3.125 183 K HA -0.157 4.163 4.320 -0.000 0.000 0.268 183 K C -0.354 176.231 176.600 -0.024 0.000 1.078 183 K CA 0.301 56.583 56.287 -0.007 0.000 0.775 183 K CB -1.721 30.780 32.500 0.003 0.000 1.253 183 K HN 0.301 nan 8.250 nan 0.000 0.486 184 L N 1.227 122.422 121.223 -0.048 0.000 2.387 184 L HA 0.136 4.476 4.340 -0.000 0.000 0.267 184 L C 0.959 177.645 176.870 -0.307 0.000 1.197 184 L CA -0.526 54.231 54.840 -0.139 0.000 1.070 184 L CB 0.121 42.069 42.059 -0.185 0.000 1.349 184 L HN 0.145 nan 8.230 nan 0.000 0.422 185 N N 0.433 118.969 118.700 -0.273 0.000 2.461 185 N HA -0.029 4.711 4.740 -0.000 0.000 0.188 185 N C 0.617 175.665 175.510 -0.769 0.000 1.134 185 N CA 0.656 53.420 53.050 -0.477 0.000 0.878 185 N CB 0.158 38.395 38.487 -0.418 0.000 0.972 185 N HN 0.507 nan 8.380 nan 0.000 0.456 186 H N -1.298 117.653 119.070 -0.197 0.000 2.767 186 H HA 0.261 4.817 4.556 -0.000 0.000 0.235 186 H C -0.407 174.787 175.328 -0.224 0.000 1.256 186 H CA -0.125 55.875 56.048 -0.080 0.000 0.957 186 H CB 0.316 30.074 29.762 -0.007 0.000 2.117 186 H HN -0.135 nan 8.280 nan 0.000 0.602 187 T N 0.961 115.156 114.554 -0.598 0.000 2.812 187 T HA 0.354 4.704 4.350 -0.000 0.000 0.282 187 T C -0.708 173.253 174.700 -1.231 0.000 0.990 187 T CA -0.426 61.155 62.100 -0.866 0.000 0.960 187 T CB 1.433 69.570 68.868 -1.220 0.000 0.948 187 T HN 0.227 nan 8.240 nan 0.000 0.438 188 W N 1.798 122.748 121.300 -0.583 0.000 3.127 188 W HA 0.539 5.199 4.660 0.000 0.000 0.330 188 W C 0.591 176.961 176.519 -0.248 0.000 1.187 188 W CA -0.813 56.332 57.345 -0.334 0.000 1.198 188 W CB 1.174 30.458 29.460 -0.293 0.000 1.408 188 W HN 0.508 nan 8.180 nan 0.000 0.529 189 I N 1.364 122.045 120.570 0.185 0.000 2.494 189 I HA -0.031 4.139 4.170 -0.000 0.000 0.250 189 I C 0.068 176.203 176.117 0.030 0.000 1.112 189 I CA 0.846 62.196 61.300 0.083 0.000 1.438 189 I CB -0.063 38.002 38.000 0.109 0.000 1.111 189 I HN 0.329 nan 8.210 nan 0.000 0.431 190 N N 0.079 118.828 118.700 0.081 0.000 2.443 190 N HA 0.309 5.049 4.740 -0.000 0.000 0.269 190 N C -0.951 174.469 175.510 -0.150 0.000 0.985 190 N CA -0.363 52.664 53.050 -0.038 0.000 0.921 190 N CB 2.303 40.777 38.487 -0.021 0.000 1.195 190 N HN -0.203 nan 8.380 nan 0.000 0.492 191 V N 4.099 123.824 119.914 -0.314 0.000 2.479 191 V HA 0.197 4.317 4.120 -0.000 0.000 0.281 191 V C -1.538 174.216 176.094 -0.567 0.000 1.031 191 V CA -0.946 61.027 62.300 -0.544 0.000 1.038 191 V CB 0.067 31.496 31.823 -0.656 0.000 0.981 191 V HN 0.618 nan 8.190 nan 0.000 0.478 192 P HA 0.336 nan 4.420 nan 0.000 0.278 192 P C -2.333 174.731 177.300 -0.393 0.000 1.258 192 P CA -2.050 60.670 63.100 -0.633 0.000 0.811 192 P CB 0.570 31.739 31.700 -0.885 0.000 1.063 193 P HA -0.200 nan 4.420 nan 0.000 0.217 193 P C 1.386 178.608 177.300 -0.130 0.000 1.151 193 P CA 2.181 65.191 63.100 -0.150 0.000 0.849 193 P CB -0.486 31.149 31.700 -0.107 0.000 0.787 194 A N -0.396 122.333 122.820 -0.151 0.000 2.125 194 A HA -0.168 4.152 4.320 -0.000 0.000 0.219 194 A C 1.896 179.429 177.584 -0.085 0.000 1.156 194 A CA 1.398 53.376 52.037 -0.098 0.000 0.671 194 A CB -0.686 18.267 19.000 -0.079 0.000 0.794 194 A HN 0.134 nan 8.150 nan 0.000 0.459 195 E N -0.695 119.413 120.200 -0.154 0.000 2.498 195 E HA 0.023 4.373 4.350 -0.000 0.000 0.203 195 E C 1.128 177.684 176.600 -0.073 0.000 1.013 195 E CA 0.017 56.350 56.400 -0.112 0.000 0.927 195 E CB 0.093 29.678 29.700 -0.192 0.000 1.012 195 E HN 0.743 nan 8.360 nan 0.000 0.482 196 E N 1.405 121.569 120.200 -0.061 0.000 2.118 196 E HA -0.213 4.137 4.350 -0.000 0.000 0.195 196 E C 1.955 178.585 176.600 0.050 0.000 0.992 196 E CA 1.364 57.774 56.400 0.017 0.000 0.804 196 E CB -0.096 29.609 29.700 0.008 0.000 0.741 196 E HN 0.214 nan 8.360 nan 0.000 0.458 197 K N 0.401 120.821 120.400 0.033 0.000 2.362 197 K HA -0.101 4.219 4.320 -0.000 0.000 0.200 197 K C 1.022 177.653 176.600 0.052 0.000 1.046 197 K CA 1.651 57.967 56.287 0.048 0.000 0.952 197 K CB -0.073 32.447 32.500 0.033 0.000 0.753 197 K HN 0.056 nan 8.250 nan 0.000 0.466 198 N N -0.554 118.171 118.700 0.043 0.000 2.254 198 N HA -0.001 4.739 4.740 -0.000 0.000 0.190 198 N C -0.790 174.760 175.510 0.067 0.000 1.107 198 N CA -0.394 52.678 53.050 0.037 0.000 0.869 198 N CB 0.280 38.773 38.487 0.009 0.000 0.983 198 N HN 0.203 nan 8.380 nan 0.000 0.487 199 Y N 2.396 122.630 120.300 -0.111 0.000 2.539 199 Y HA 0.353 4.903 4.550 -0.000 0.000 0.352 199 Y C 0.279 176.095 175.900 -0.140 0.000 1.004 199 Y CA -1.420 56.574 58.100 -0.178 0.000 1.278 199 Y CB 0.165 38.456 38.460 -0.282 0.000 1.136 199 Y HN -0.018 nan 8.280 nan 0.000 0.528 200 A N 6.064 128.923 122.820 0.065 0.000 2.520 200 A HA -0.020 4.299 4.320 -0.000 0.000 0.235 200 A C -0.981 176.590 177.584 -0.022 0.000 1.065 200 A CA -0.144 51.895 52.037 0.005 0.000 0.764 200 A CB 0.241 19.158 19.000 -0.137 0.000 1.002 200 A HN 0.927 nan 8.150 nan 0.000 0.502 201 W N 0.614 121.866 121.300 -0.079 0.000 2.251 201 W HA 0.485 5.145 4.660 0.000 0.000 0.329 201 W C 0.909 177.070 176.519 -0.597 0.000 1.234 201 W CA 0.632 57.734 57.345 -0.404 0.000 1.228 201 W CB 1.057 30.132 29.460 -0.643 0.000 1.135 201 W HN 0.932 nan 8.180 nan 0.000 0.576 202 G N 1.222 109.804 108.800 -0.364 0.000 2.476 202 G HA2 0.493 4.453 3.960 -0.000 0.000 0.286 202 G HA3 0.493 4.453 3.960 -0.000 0.000 0.286 202 G C -2.101 172.390 174.900 -0.681 0.000 1.177 202 G CA -0.502 44.153 45.100 -0.741 0.000 0.870 202 G HN 0.441 nan 8.290 nan 0.000 0.528 203 Y N -0.065 120.156 120.300 -0.130 0.000 2.338 203 Y HA 0.541 5.091 4.550 -0.000 0.000 0.333 203 Y C 0.455 176.353 175.900 -0.005 0.000 0.968 203 Y CA -0.818 57.259 58.100 -0.038 0.000 1.123 203 Y CB 2.236 40.678 38.460 -0.031 0.000 1.165 203 Y HN 0.450 nan 8.280 nan 0.000 0.452 204 R N 3.443 124.025 120.500 0.136 0.000 2.483 204 R HA 0.229 4.569 4.340 -0.000 0.000 0.303 204 R C -0.884 175.469 176.300 0.087 0.000 0.987 204 R CA -0.430 55.731 56.100 0.102 0.000 0.881 204 R CB 0.856 31.203 30.300 0.079 0.000 1.177 204 R HN 0.841 nan 8.270 nan 0.000 0.451 205 E N 2.828 123.073 120.200 0.076 0.000 2.252 205 E HA -0.258 4.092 4.350 -0.000 0.000 0.218 205 E C 0.636 177.269 176.600 0.055 0.000 1.253 205 E CA 1.113 57.545 56.400 0.053 0.000 0.705 205 E CB -1.597 28.125 29.700 0.038 0.000 1.172 205 E HN 1.179 nan 8.360 nan 0.000 0.369 206 G N -0.121 108.724 108.800 0.075 0.000 2.382 206 G HA2 -0.428 3.532 3.960 -0.000 0.000 0.259 206 G HA3 -0.428 3.532 3.960 -0.000 0.000 0.259 206 G C 0.401 175.387 174.900 0.142 0.000 1.009 206 G CA 1.211 46.352 45.100 0.068 0.000 0.625 206 G HN 0.393 nan 8.290 nan 0.000 0.541 207 K N 1.326 121.792 120.400 0.111 0.000 2.322 207 K HA 0.587 4.907 4.320 -0.000 0.000 0.283 207 K C 0.620 177.246 176.600 0.044 0.000 1.042 207 K CA 0.203 56.525 56.287 0.058 0.000 0.958 207 K CB 1.190 33.697 32.500 0.012 0.000 0.984 207 K HN 0.499 nan 8.250 nan 0.000 0.473 208 A N 3.055 125.811 122.820 -0.106 0.000 2.444 208 A HA 0.319 4.639 4.320 -0.000 0.000 0.273 208 A C -0.019 177.448 177.584 -0.195 0.000 1.136 208 A CA -0.506 51.280 52.037 -0.419 0.000 0.799 208 A CB -0.284 18.258 19.000 -0.764 0.000 1.081 208 A HN 0.541 nan 8.150 nan 0.000 0.509 209 V N 1.212 121.100 119.914 -0.043 0.000 2.914 209 V HA 0.704 4.824 4.120 -0.000 0.000 0.314 209 V C -0.550 175.625 176.094 0.135 0.000 1.084 209 V CA -0.849 61.521 62.300 0.116 0.000 0.963 209 V CB 1.314 33.191 31.823 0.089 0.000 1.025 209 V HN 0.913 nan 8.190 nan 0.000 0.432 210 H N 0.637 119.809 119.070 0.170 0.000 2.670 210 H HA 0.673 5.229 4.556 -0.000 0.000 0.361 210 H C -0.448 174.957 175.328 0.130 0.000 1.169 210 H CA -0.951 55.129 56.048 0.054 0.000 1.198 210 H CB 2.265 31.911 29.762 -0.193 0.000 1.700 210 H HN 0.784 nan 8.280 nan 0.000 0.542 211 V N 2.647 122.735 119.914 0.290 0.000 2.763 211 V HA 0.041 4.161 4.120 -0.000 0.000 0.306 211 V C -0.003 176.203 176.094 0.187 0.000 1.059 211 V CA 0.165 62.596 62.300 0.219 0.000 1.138 211 V CB 0.683 32.640 31.823 0.223 0.000 0.940 211 V HN 0.861 nan 8.190 nan 0.000 0.489 212 S N 7.433 123.231 115.700 0.163 0.000 2.617 212 S HA 0.650 5.120 4.470 -0.000 0.000 0.283 212 S C -2.538 172.148 174.600 0.142 0.000 1.189 212 S CA -1.317 56.963 58.200 0.134 0.000 1.036 212 S CB 1.094 64.357 63.200 0.105 0.000 1.014 212 S HN 0.776 nan 8.310 nan 0.000 0.522 213 P HA 0.318 nan 4.420 nan 0.000 0.263 213 P C 0.131 177.484 177.300 0.089 0.000 1.162 213 P CA 0.482 63.626 63.100 0.073 0.000 0.758 213 P CB -0.170 31.557 31.700 0.045 0.000 0.773 214 G N 0.305 109.150 108.800 0.074 0.000 2.673 214 G HA2 0.550 4.510 3.960 -0.000 0.000 0.292 214 G HA3 0.550 4.510 3.960 -0.000 0.000 0.292 214 G C -1.341 173.564 174.900 0.010 0.000 1.450 214 G CA -0.320 44.830 45.100 0.084 0.000 0.837 214 G HN 0.529 nan 8.290 nan 0.000 0.505 215 A N 0.521 123.338 122.820 -0.004 0.000 2.520 215 A HA 0.540 4.860 4.320 -0.000 0.000 0.245 215 A C 1.347 178.890 177.584 -0.069 0.000 1.072 215 A CA 0.552 52.567 52.037 -0.037 0.000 0.761 215 A CB -0.488 18.488 19.000 -0.039 0.000 1.004 215 A HN 1.766 nan 8.150 nan 0.000 0.499 216 L N 0.730 121.874 121.223 -0.131 0.000 3.865 216 L HA -0.297 4.043 4.340 -0.000 0.000 0.408 216 L C 1.081 177.730 176.870 -0.369 0.000 1.209 216 L CA 0.597 55.307 54.840 -0.216 0.000 0.940 216 L CB -1.791 40.203 42.059 -0.109 0.000 1.971 216 L HN 0.999 nan 8.230 nan 0.000 0.899 217 D N 0.141 120.279 120.400 -0.437 0.000 2.123 217 D HA -0.101 4.539 4.640 -0.000 0.000 0.200 217 D C 1.960 177.842 176.300 -0.696 0.000 0.976 217 D CA 1.325 54.804 54.000 -0.867 0.000 0.831 217 D CB -0.095 40.392 40.800 -0.523 0.000 0.974 217 D HN 0.423 nan 8.370 nan 0.000 0.469 218 A N 0.821 123.404 122.820 -0.395 0.000 1.908 218 A HA -0.224 4.096 4.320 -0.000 0.000 0.218 218 A C 2.118 179.527 177.584 -0.291 0.000 1.181 218 A CA 1.970 53.869 52.037 -0.230 0.000 0.627 218 A CB -0.687 18.272 19.000 -0.068 0.000 0.818 218 A HN 0.222 nan 8.150 nan 0.000 0.445 219 E N -0.536 119.292 120.200 -0.620 0.000 2.152 219 E HA 0.132 4.481 4.350 -0.000 0.000 0.192 219 E C 1.951 178.400 176.600 -0.253 0.000 0.983 219 E CA 1.228 57.197 56.400 -0.719 0.000 0.818 219 E CB -0.199 29.001 29.700 -0.834 0.000 0.758 219 E HN 0.595 nan 8.360 nan 0.000 0.467 220 A N -0.547 122.119 122.820 -0.258 0.000 2.108 220 A HA 0.117 4.437 4.320 -0.000 0.000 0.206 220 A C 0.691 178.355 177.584 0.133 0.000 1.212 220 A CA 0.447 52.462 52.037 -0.036 0.000 0.843 220 A CB 0.045 19.073 19.000 0.046 0.000 0.902 220 A HN 0.410 nan 8.150 nan 0.000 0.477 221 Y N -4.656 115.668 120.300 0.040 0.000 3.075 221 Y HA 0.430 4.980 4.550 -0.000 0.000 0.270 221 Y C 0.896 176.817 175.900 0.035 0.000 1.071 221 Y CA -0.428 57.708 58.100 0.061 0.000 1.269 221 Y CB -0.461 38.043 38.460 0.072 0.000 1.291 221 Y HN -0.022 nan 8.280 nan 0.000 0.613 222 G N 0.746 109.505 108.800 -0.069 0.000 3.042 222 G HA2 0.332 4.292 3.960 -0.000 0.000 0.212 222 G HA3 0.332 4.292 3.960 -0.000 0.000 0.212 222 G C -0.156 174.718 174.900 -0.042 0.000 1.166 222 G CA 0.198 45.258 45.100 -0.068 0.000 0.767 222 G HN 0.115 nan 8.290 nan 0.000 0.546 223 V N 0.681 120.563 119.914 -0.052 0.000 2.546 223 V HA 0.409 4.529 4.120 -0.000 0.000 0.284 223 V C -0.332 175.652 176.094 -0.185 0.000 1.050 223 V CA -0.556 61.647 62.300 -0.162 0.000 0.981 223 V CB 1.450 33.070 31.823 -0.338 0.000 0.990 223 V HN 0.117 nan 8.190 nan 0.000 0.474 224 K N 2.519 122.770 120.400 -0.248 0.000 2.221 224 K HA 0.793 5.113 4.320 -0.000 0.000 0.258 224 K C -0.464 175.991 176.600 -0.242 0.000 0.944 224 K CA -0.172 55.959 56.287 -0.259 0.000 0.823 224 K CB 1.958 34.196 32.500 -0.437 0.000 1.113 224 K HN 0.700 nan 8.250 nan 0.000 0.431 225 S N 0.140 115.774 115.700 -0.109 0.000 2.625 225 S HA 0.609 5.079 4.470 -0.000 0.000 0.271 225 S C -1.129 173.548 174.600 0.129 0.000 1.161 225 S CA -0.716 57.441 58.200 -0.072 0.000 0.820 225 S CB 1.003 64.126 63.200 -0.129 0.000 1.137 225 S HN 0.694 nan 8.310 nan 0.000 0.470 226 T N 0.116 114.746 114.554 0.126 0.000 2.936 226 T HA 0.536 4.886 4.350 -0.000 0.000 0.282 226 T C 1.217 176.046 174.700 0.215 0.000 1.003 226 T CA -0.532 61.695 62.100 0.210 0.000 1.005 226 T CB 0.764 69.692 68.868 0.101 0.000 1.097 226 T HN 0.409 nan 8.240 nan 0.000 0.532 227 I N 0.708 121.418 120.570 0.233 0.000 2.394 227 I HA -0.014 4.156 4.170 -0.000 0.000 0.251 227 I C 2.398 178.664 176.117 0.248 0.000 1.136 227 I CA 1.394 62.838 61.300 0.239 0.000 1.425 227 I CB -0.590 37.575 38.000 0.275 0.000 1.079 227 I HN 0.816 nan 8.210 nan 0.000 0.425 228 E N 0.034 120.276 120.200 0.069 0.000 2.047 228 E HA -0.232 4.118 4.350 -0.000 0.000 0.191 228 E C 1.740 178.439 176.600 0.164 0.000 0.987 228 E CA 1.518 57.946 56.400 0.046 0.000 0.799 228 E CB -0.201 29.409 29.700 -0.151 0.000 0.752 228 E HN 0.467 nan 8.360 nan 0.000 0.449 229 D N 0.217 120.694 120.400 0.128 0.000 2.117 229 D HA -0.136 4.504 4.640 -0.000 0.000 0.197 229 D C 1.845 178.275 176.300 0.216 0.000 0.987 229 D CA 0.982 55.059 54.000 0.127 0.000 0.829 229 D CB -0.049 40.770 40.800 0.031 0.000 0.961 229 D HN 0.072 nan 8.370 nan 0.000 0.460 230 M N 0.268 120.014 119.600 0.243 0.000 2.229 230 M HA -0.004 4.476 4.480 -0.000 0.000 0.264 230 M C 2.200 178.694 176.300 0.323 0.000 1.063 230 M CA 0.653 56.154 55.300 0.335 0.000 1.114 230 M CB -1.070 31.711 32.600 0.302 0.000 1.387 230 M HN -0.019 nan 8.290 nan 0.000 0.420 231 A N -0.153 122.836 122.820 0.281 0.000 1.933 231 A HA -0.183 4.137 4.320 -0.000 0.000 0.218 231 A C 2.398 180.067 177.584 0.143 0.000 1.175 231 A CA 1.773 53.934 52.037 0.206 0.000 0.628 231 A CB -0.657 18.499 19.000 0.260 0.000 0.814 231 A HN 0.459 nan 8.150 nan 0.000 0.444 232 R N -1.438 119.171 120.500 0.182 0.000 2.075 232 R HA -0.153 4.187 4.340 -0.000 0.000 0.232 232 R C 2.140 178.550 176.300 0.183 0.000 1.126 232 R CA 1.337 57.522 56.100 0.142 0.000 0.963 232 R CB -0.386 30.004 30.300 0.150 0.000 0.858 232 R HN 0.818 nan 8.270 nan 0.000 0.435 233 W N 0.618 121.952 121.300 0.056 0.000 2.318 233 W HA -0.252 4.408 4.660 0.000 0.000 0.313 233 W C 1.448 177.916 176.519 -0.086 0.000 1.221 233 W CA 1.433 58.799 57.345 0.036 0.000 1.266 233 W CB -0.060 29.475 29.460 0.125 0.000 1.150 233 W HN -0.006 nan 8.180 nan 0.000 0.496 234 V N 0.943 120.801 119.914 -0.094 0.000 2.358 234 V HA -0.326 3.794 4.120 -0.000 0.000 0.246 234 V C 2.340 178.108 176.094 -0.544 0.000 1.047 234 V CA 2.158 64.197 62.300 -0.435 0.000 1.035 234 V CB -1.002 30.704 31.823 -0.194 0.000 0.658 234 V HN 0.241 nan 8.190 nan 0.000 0.452 235 Q N -0.188 119.443 119.800 -0.282 0.000 2.124 235 Q HA -0.164 4.176 4.340 -0.000 0.000 0.202 235 Q C 2.481 178.303 176.000 -0.296 0.000 0.977 235 Q CA 1.904 57.557 55.803 -0.250 0.000 0.850 235 Q CB -0.222 28.442 28.738 -0.124 0.000 0.901 235 Q HN 0.615 nan 8.270 nan 0.000 0.429 236 S N 0.847 116.381 115.700 -0.277 0.000 2.383 236 S HA -0.061 4.409 4.470 -0.000 0.000 0.227 236 S C 1.503 175.841 174.600 -0.437 0.000 1.026 236 S CA 0.845 58.886 58.200 -0.266 0.000 0.981 236 S CB -0.122 62.998 63.200 -0.134 0.000 0.818 236 S HN 0.379 nan 8.310 nan 0.000 0.472 237 N N 1.088 119.351 118.700 -0.728 0.000 2.376 237 N HA 0.159 4.899 4.740 -0.000 0.000 0.177 237 N C 1.615 176.601 175.510 -0.875 0.000 1.024 237 N CA 0.387 52.904 53.050 -0.888 0.000 0.893 237 N CB -0.108 37.602 38.487 -1.294 0.000 0.980 237 N HN 0.311 nan 8.380 nan 0.000 0.439 238 L N 1.000 121.679 121.223 -0.907 0.000 2.017 238 L HA -0.108 4.231 4.340 -0.000 0.000 0.208 238 L C 0.361 177.041 176.870 -0.317 0.000 1.073 238 L CA 1.263 55.760 54.840 -0.572 0.000 0.745 238 L CB 0.039 41.819 42.059 -0.466 0.000 0.894 238 L HN 0.141 nan 8.230 nan 0.000 0.432 239 K N -1.456 118.773 120.400 -0.286 0.000 2.687 239 K HA 0.299 4.619 4.320 -0.000 0.000 0.197 239 K C -2.401 174.099 176.600 -0.167 0.000 1.049 239 K CA -1.569 54.604 56.287 -0.190 0.000 1.030 239 K CB 1.202 33.612 32.500 -0.149 0.000 1.261 239 K HN -0.208 nan 8.250 nan 0.000 0.565 240 P HA -0.138 nan 4.420 nan 0.000 0.221 240 P C 0.957 178.206 177.300 -0.084 0.000 1.145 240 P CA 0.782 63.809 63.100 -0.122 0.000 0.795 240 P CB 0.187 31.823 31.700 -0.106 0.000 0.775 241 L N -0.662 120.513 121.223 -0.080 0.000 2.275 241 L HA -0.119 4.221 4.340 -0.000 0.000 0.215 241 L C 1.364 178.201 176.870 -0.054 0.000 1.119 241 L CA 1.195 55.999 54.840 -0.060 0.000 0.790 241 L CB -0.767 41.257 42.059 -0.058 0.000 0.919 241 L HN -0.058 nan 8.230 nan 0.000 0.443 242 D N 0.087 120.449 120.400 -0.063 0.000 2.349 242 D HA 0.123 4.763 4.640 -0.000 0.000 0.224 242 D C 0.565 176.840 176.300 -0.042 0.000 1.029 242 D CA 0.549 54.517 54.000 -0.053 0.000 0.879 242 D CB 0.120 40.883 40.800 -0.062 0.000 0.906 242 D HN 0.236 nan 8.370 nan 0.000 0.528 243 I N 1.596 122.142 120.570 -0.041 0.000 2.325 243 I HA 0.041 4.211 4.170 -0.000 0.000 0.291 243 I C 1.285 177.391 176.117 -0.019 0.000 1.019 243 I CA -0.451 60.834 61.300 -0.025 0.000 1.302 243 I CB 1.120 39.106 38.000 -0.022 0.000 1.401 243 I HN -0.260 nan 8.210 nan 0.000 0.485 244 N N 3.897 122.589 118.700 -0.013 0.000 2.120 244 N HA -0.124 4.616 4.740 -0.000 0.000 0.188 244 N C 0.213 175.717 175.510 -0.010 0.000 1.024 244 N CA 1.033 54.076 53.050 -0.013 0.000 0.852 244 N CB -0.134 38.346 38.487 -0.011 0.000 1.003 244 N HN 0.537 nan 8.380 nan 0.000 0.424 245 E N 1.211 121.407 120.200 -0.006 0.000 2.292 245 E HA 0.053 4.403 4.350 -0.000 0.000 0.265 245 E C 0.813 177.411 176.600 -0.004 0.000 1.093 245 E CA 0.127 56.524 56.400 -0.005 0.000 0.922 245 E CB 0.624 30.323 29.700 -0.001 0.000 1.001 245 E HN 0.190 nan 8.360 nan 0.000 0.444 246 K N 1.355 121.752 120.400 -0.006 0.000 2.057 246 K HA -0.136 4.184 4.320 -0.000 0.000 0.206 246 K C 1.960 178.560 176.600 -0.001 0.000 1.050 246 K CA 1.699 57.983 56.287 -0.006 0.000 0.935 246 K CB -0.106 32.389 32.500 -0.007 0.000 0.715 246 K HN 0.589 nan 8.250 nan 0.000 0.439 247 T N 0.314 114.868 114.554 0.000 0.000 2.867 247 T HA -0.120 4.230 4.350 -0.000 0.000 0.268 247 T C 1.876 176.585 174.700 0.014 0.000 1.057 247 T CA 0.806 62.910 62.100 0.005 0.000 1.136 247 T CB -0.181 68.686 68.868 -0.000 0.000 0.874 247 T HN 0.044 nan 8.240 nan 0.000 0.466 248 L N 1.015 122.246 121.223 0.014 0.000 2.072 248 L HA 0.143 4.483 4.340 -0.000 0.000 0.205 248 L C 2.803 179.688 176.870 0.025 0.000 1.079 248 L CA 1.701 56.560 54.840 0.030 0.000 0.752 248 L CB -1.023 41.058 42.059 0.037 0.000 0.906 248 L HN 0.372 nan 8.230 nan 0.000 0.436 249 Q N -0.655 119.148 119.800 0.006 0.000 2.014 249 Q HA -0.325 4.015 4.340 -0.000 0.000 0.207 249 Q C 2.204 178.202 176.000 -0.003 0.000 0.993 249 Q CA 2.632 58.429 55.803 -0.010 0.000 0.850 249 Q CB -0.206 28.522 28.738 -0.016 0.000 0.916 249 Q HN 0.663 nan 8.270 nan 0.000 0.417 250 Q N -0.693 119.111 119.800 0.006 0.000 2.084 250 Q HA -0.130 4.210 4.340 -0.000 0.000 0.202 250 Q C 2.067 178.090 176.000 0.039 0.000 0.978 250 Q CA 1.278 57.091 55.803 0.016 0.000 0.844 250 Q CB -0.356 28.392 28.738 0.017 0.000 0.898 250 Q HN 0.603 nan 8.270 nan 0.000 0.426 251 G N 1.063 109.893 108.800 0.050 0.000 2.446 251 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.217 251 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.217 251 G C 1.396 176.358 174.900 0.103 0.000 1.168 251 G CA 0.908 46.057 45.100 0.083 0.000 0.771 251 G HN 0.259 nan 8.290 nan 0.000 0.551 252 I N 0.524 121.136 120.570 0.069 0.000 2.208 252 I HA -0.265 3.905 4.170 -0.000 0.000 0.245 252 I C 3.066 179.205 176.117 0.037 0.000 1.097 252 I CA 1.442 62.767 61.300 0.041 0.000 1.363 252 I CB -0.281 37.682 38.000 -0.062 0.000 1.051 252 I HN 0.286 nan 8.210 nan 0.000 0.413 253 Q N 0.384 120.194 119.800 0.016 0.000 2.119 253 Q HA -0.145 4.195 4.340 -0.000 0.000 0.201 253 Q C 2.364 178.395 176.000 0.051 0.000 0.972 253 Q CA 1.220 57.028 55.803 0.008 0.000 0.847 253 Q CB -0.153 28.577 28.738 -0.013 0.000 0.903 253 Q HN 0.522 nan 8.270 nan 0.000 0.433 254 L N 0.317 121.594 121.223 0.091 0.000 2.131 254 L HA -0.143 4.197 4.340 -0.000 0.000 0.210 254 L C 2.439 179.464 176.870 0.259 0.000 1.092 254 L CA 0.837 55.771 54.840 0.156 0.000 0.759 254 L CB -0.498 41.663 42.059 0.169 0.000 0.903 254 L HN 0.215 nan 8.230 nan 0.000 0.435 255 A N -0.771 122.199 122.820 0.250 0.000 2.067 255 A HA -0.181 4.139 4.320 -0.000 0.000 0.219 255 A C 2.046 179.858 177.584 0.379 0.000 1.158 255 A CA 1.177 53.418 52.037 0.340 0.000 0.661 255 A CB -0.242 18.988 19.000 0.383 0.000 0.801 255 A HN 0.497 nan 8.150 nan 0.000 0.452 256 Q N 0.127 120.064 119.800 0.228 0.000 2.280 256 Q HA 0.183 4.523 4.340 -0.000 0.000 0.201 256 Q C -0.153 175.873 176.000 0.043 0.000 0.890 256 Q CA -0.326 55.555 55.803 0.131 0.000 0.947 256 Q CB 0.437 29.175 28.738 -0.000 0.000 1.081 256 Q HN 0.506 nan 8.270 nan 0.000 0.502 257 S N 1.118 116.823 115.700 0.008 0.000 2.579 257 S HA 0.179 4.648 4.470 -0.000 0.000 0.275 257 S C 0.087 174.493 174.600 -0.323 0.000 1.345 257 S CA -0.071 57.976 58.200 -0.255 0.000 1.031 257 S CB 0.553 63.453 63.200 -0.499 0.000 0.892 257 S HN 0.242 nan 8.310 nan 0.000 0.529 258 R N 1.492 121.781 120.500 -0.353 0.000 2.204 258 R HA 0.246 4.586 4.340 -0.000 0.000 0.341 258 R C -0.366 175.777 176.300 -0.262 0.000 1.035 258 R CA -0.141 55.865 56.100 -0.157 0.000 0.887 258 R CB 0.347 30.542 30.300 -0.176 0.000 1.114 258 R HN 0.688 nan 8.270 nan 0.000 0.473 259 Y N 0.646 120.952 120.300 0.009 0.000 2.479 259 Y HA 0.137 4.687 4.550 0.000 0.000 0.283 259 Y C 0.124 175.714 175.900 -0.516 0.000 1.109 259 Y CA 0.371 58.315 58.100 -0.260 0.000 1.239 259 Y CB 0.557 38.881 38.460 -0.226 0.000 1.108 259 Y HN 0.457 nan 8.280 nan 0.000 0.548 260 W N -0.209 121.257 121.300 0.275 0.000 3.127 260 W HA 0.536 5.196 4.660 0.000 0.000 0.330 260 W C -0.906 175.717 176.519 0.173 0.000 1.187 260 W CA -0.968 56.495 57.345 0.196 0.000 1.198 260 W CB 1.145 30.704 29.460 0.165 0.000 1.408 260 W HN -0.452 nan 8.180 nan 0.000 0.529 261 Q N 1.384 121.381 119.800 0.329 0.000 2.353 261 Q HA 0.649 4.989 4.340 -0.000 0.000 0.268 261 Q C -1.165 174.856 176.000 0.035 0.000 1.045 261 Q CA -0.491 55.337 55.803 0.042 0.000 0.811 261 Q CB 2.415 31.091 28.738 -0.103 0.000 1.305 261 Q HN 0.438 nan 8.270 nan 0.000 0.447 262 T N 2.575 117.099 114.554 -0.050 0.000 2.965 262 T HA 0.599 4.949 4.350 -0.000 0.000 0.306 262 T C 0.420 175.066 174.700 -0.090 0.000 0.991 262 T CA 0.711 62.785 62.100 -0.042 0.000 1.001 262 T CB 0.595 69.458 68.868 -0.009 0.000 0.984 262 T HN 1.031 nan 8.240 nan 0.000 0.446 263 G N 5.542 114.289 108.800 -0.088 0.000 2.591 263 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.298 263 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.298 263 G C 0.406 175.219 174.900 -0.144 0.000 1.195 263 G CA 0.777 45.822 45.100 -0.092 0.000 0.989 263 G HN 1.002 nan 8.290 nan 0.000 0.551 264 D N 0.230 120.556 120.400 -0.124 0.000 2.342 264 D HA 0.288 4.928 4.640 -0.000 0.000 0.221 264 D C 1.082 177.287 176.300 -0.158 0.000 1.101 264 D CA 0.293 54.215 54.000 -0.130 0.000 0.837 264 D CB 0.090 40.853 40.800 -0.061 0.000 0.938 264 D HN 0.524 nan 8.370 nan 0.000 0.508 265 M N 0.692 120.176 119.600 -0.193 0.000 2.537 265 M HA 0.417 4.897 4.480 -0.000 0.000 0.324 265 M C -1.725 174.430 176.300 -0.242 0.000 1.187 265 M CA -0.616 54.641 55.300 -0.071 0.000 0.993 265 M CB 1.881 34.531 32.600 0.084 0.000 1.666 265 M HN -0.180 nan 8.290 nan 0.000 0.461 266 Y N 1.424 121.839 120.300 0.191 0.000 2.376 266 Y HA 0.365 4.915 4.550 -0.000 0.000 0.340 266 Y C -0.329 175.735 175.900 0.272 0.000 0.965 266 Y CA -0.757 57.468 58.100 0.208 0.000 1.078 266 Y CB 1.576 40.125 38.460 0.149 0.000 1.193 266 Y HN 0.555 nan 8.280 nan 0.000 0.452 267 Q N 2.035 122.114 119.800 0.465 0.000 2.294 267 Q HA 0.514 4.854 4.340 -0.000 0.000 0.257 267 Q C 0.122 176.415 176.000 0.487 0.000 0.955 267 Q CA -0.104 55.973 55.803 0.456 0.000 0.936 267 Q CB 1.072 30.092 28.738 0.470 0.000 1.188 267 Q HN 0.904 nan 8.270 nan 0.000 0.420 268 G N 2.910 111.972 108.800 0.437 0.000 2.630 268 G HA2 0.464 4.423 3.960 -0.000 0.000 0.223 268 G HA3 0.464 4.423 3.960 -0.000 0.000 0.223 268 G C -0.880 174.201 174.900 0.302 0.000 1.434 268 G CA -0.766 44.617 45.100 0.471 0.000 1.057 268 G HN 0.596 nan 8.290 nan 0.000 0.570 269 L N 0.904 122.274 121.223 0.244 0.000 2.272 269 L HA 0.470 4.810 4.340 -0.000 0.000 0.284 269 L C 1.352 178.270 176.870 0.079 0.000 1.045 269 L CA 0.366 55.214 54.840 0.014 0.000 0.842 269 L CB 0.695 42.744 42.059 -0.016 0.000 1.224 269 L HN 1.016 nan 8.230 nan 0.000 0.430 270 G N 2.081 110.897 108.800 0.026 0.000 4.039 270 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.220 270 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.220 270 G C 0.025 174.954 174.900 0.048 0.000 1.391 270 G CA -0.117 44.990 45.100 0.013 0.000 0.920 270 G HN 0.524 nan 8.290 nan 0.000 0.599 271 W N 2.475 123.905 121.300 0.216 0.000 2.158 271 W HA 0.563 5.223 4.660 -0.000 0.000 0.339 271 W C 0.836 177.497 176.519 0.237 0.000 1.294 271 W CA -0.243 57.223 57.345 0.202 0.000 1.231 271 W CB 0.408 29.960 29.460 0.153 0.000 1.143 271 W HN 0.339 nan 8.180 nan 0.000 0.571 272 E N 1.737 122.271 120.200 0.555 0.000 2.244 272 E HA 0.630 4.980 4.350 -0.000 0.000 0.266 272 E C -0.815 176.090 176.600 0.508 0.000 0.914 272 E CA -1.149 55.550 56.400 0.497 0.000 0.794 272 E CB 1.705 31.679 29.700 0.457 0.000 1.210 272 E HN 0.197 nan 8.360 nan 0.000 0.414 273 M N 1.794 121.652 119.600 0.429 0.000 2.484 273 M HA 0.460 4.940 4.480 -0.000 0.000 0.289 273 M C -1.608 174.930 176.300 0.397 0.000 1.206 273 M CA -0.296 55.198 55.300 0.323 0.000 0.892 273 M CB 1.862 34.581 32.600 0.198 0.000 1.712 273 M HN 0.306 nan 8.290 nan 0.000 0.462 274 L N 0.655 122.076 121.223 0.330 0.000 2.393 274 L HA 0.555 4.895 4.340 -0.000 0.000 0.260 274 L C -0.838 176.205 176.870 0.289 0.000 1.002 274 L CA -0.735 54.304 54.840 0.332 0.000 0.818 274 L CB 2.022 44.195 42.059 0.190 0.000 1.369 274 L HN 0.553 nan 8.230 nan 0.000 0.412 275 D N 0.946 121.504 120.400 0.265 0.000 2.455 275 D HA -0.047 4.593 4.640 -0.000 0.000 0.241 275 D C -0.827 175.620 176.300 0.246 0.000 1.138 275 D CA 0.220 54.340 54.000 0.201 0.000 0.877 275 D CB 1.060 41.947 40.800 0.145 0.000 1.187 275 D HN 0.334 nan 8.370 nan 0.000 0.451 276 W N 4.438 125.799 121.300 0.103 0.000 2.365 276 W HA 0.254 4.914 4.660 -0.000 0.000 0.316 276 W C -2.210 174.363 176.519 0.091 0.000 1.164 276 W CA -1.702 55.721 57.345 0.131 0.000 1.204 276 W CB 1.026 30.576 29.460 0.151 0.000 1.213 276 W HN 0.239 nan 8.180 nan 0.000 0.539 277 P HA 0.155 nan 4.420 nan 0.000 0.277 277 P C -0.437 176.556 177.300 -0.512 0.000 1.240 277 P CA -0.123 62.258 63.100 -1.198 0.000 0.798 277 P CB 1.591 32.697 31.700 -0.989 0.000 0.979 278 V N -0.592 119.034 119.914 -0.479 0.000 2.837 278 V HA 0.473 4.593 4.120 -0.000 0.000 0.310 278 V C 0.215 176.040 176.094 -0.449 0.000 1.059 278 V CA -1.020 61.084 62.300 -0.327 0.000 1.004 278 V CB 1.190 32.807 31.823 -0.343 0.000 1.045 278 V HN 0.536 nan 8.190 nan 0.000 0.465 279 N N 4.228 122.693 118.700 -0.392 0.000 2.420 279 N HA 0.338 5.078 4.740 -0.000 0.000 0.262 279 N C -1.290 173.834 175.510 -0.642 0.000 1.144 279 N CA -2.135 50.648 53.050 -0.446 0.000 0.952 279 N CB 1.210 39.522 38.487 -0.291 0.000 1.081 279 N HN 0.548 nan 8.380 nan 0.000 0.480 280 P HA -0.133 nan 4.420 nan 0.000 0.216 280 P C 0.347 177.248 177.300 -0.665 0.000 1.150 280 P CA 1.135 63.493 63.100 -1.237 0.000 0.837 280 P CB 0.438 31.013 31.700 -1.875 0.000 0.786 281 D N -0.477 119.642 120.400 -0.469 0.000 2.182 281 D HA -0.119 4.521 4.640 -0.000 0.000 0.201 281 D C 2.199 178.354 176.300 -0.242 0.000 0.986 281 D CA 1.125 54.950 54.000 -0.291 0.000 0.847 281 D CB -0.667 40.004 40.800 -0.215 0.000 0.942 281 D HN 0.153 nan 8.370 nan 0.000 0.467 282 S N 0.332 115.873 115.700 -0.264 0.000 2.348 282 S HA -0.113 4.357 4.470 -0.000 0.000 0.221 282 S C 2.165 176.662 174.600 -0.172 0.000 1.033 282 S CA 1.105 59.186 58.200 -0.197 0.000 1.010 282 S CB -0.213 62.872 63.200 -0.192 0.000 0.891 282 S HN 0.399 nan 8.310 nan 0.000 0.442 283 I N -0.919 119.502 120.570 -0.248 0.000 2.439 283 I HA 0.001 4.171 4.170 -0.000 0.000 0.251 283 I C 2.077 178.142 176.117 -0.088 0.000 1.139 283 I CA 1.106 62.317 61.300 -0.148 0.000 1.438 283 I CB -0.545 37.276 38.000 -0.298 0.000 1.085 283 I HN 0.236 nan 8.210 nan 0.000 0.427 284 I N 2.342 122.806 120.570 -0.176 0.000 2.133 284 I HA -0.260 3.910 4.170 -0.000 0.000 0.238 284 I C 2.267 178.327 176.117 -0.095 0.000 1.074 284 I CA 2.178 63.400 61.300 -0.131 0.000 1.342 284 I CB -0.688 37.215 38.000 -0.161 0.000 1.053 284 I HN 0.285 nan 8.210 nan 0.000 0.404 285 N N 0.482 119.120 118.700 -0.104 0.000 2.244 285 N HA -0.115 4.625 4.740 -0.000 0.000 0.183 285 N C 1.898 177.372 175.510 -0.060 0.000 1.016 285 N CA 1.032 54.035 53.050 -0.078 0.000 0.866 285 N CB -0.288 38.150 38.487 -0.081 0.000 0.980 285 N HN 0.401 nan 8.380 nan 0.000 0.430 286 G N 0.406 109.175 108.800 -0.051 0.000 2.471 286 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.219 286 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.219 286 G C 1.545 176.436 174.900 -0.014 0.000 1.125 286 G CA 0.878 45.963 45.100 -0.024 0.000 0.775 286 G HN 0.419 nan 8.290 nan 0.000 0.548 287 S N -0.257 115.436 115.700 -0.012 0.000 2.522 287 S HA -0.004 4.466 4.470 -0.000 0.000 0.227 287 S C 0.819 175.378 174.600 -0.069 0.000 0.986 287 S CA 0.079 58.259 58.200 -0.032 0.000 0.929 287 S CB -0.071 63.111 63.200 -0.031 0.000 0.769 287 S HN 0.302 nan 8.310 nan 0.000 0.529 288 D N 2.026 122.389 120.400 -0.062 0.000 2.458 288 D HA 0.045 4.685 4.640 -0.000 0.000 0.243 288 D C 0.409 176.670 176.300 -0.065 0.000 1.146 288 D CA 0.045 54.009 54.000 -0.060 0.000 0.877 288 D CB 0.542 41.313 40.800 -0.048 0.000 1.176 288 D HN 0.129 nan 8.370 nan 0.000 0.461 289 N N 3.360 122.021 118.700 -0.066 0.000 2.272 289 N HA -0.198 4.541 4.740 -0.000 0.000 0.185 289 N C 1.589 177.071 175.510 -0.046 0.000 1.014 289 N CA 0.829 53.838 53.050 -0.068 0.000 0.870 289 N CB -0.136 38.317 38.487 -0.056 0.000 0.975 289 N HN 0.651 nan 8.380 nan 0.000 0.433 290 K N 0.465 120.845 120.400 -0.033 0.000 2.209 290 K HA -0.021 4.299 4.320 -0.000 0.000 0.204 290 K C 1.722 178.307 176.600 -0.024 0.000 1.048 290 K CA 0.950 57.224 56.287 -0.021 0.000 0.940 290 K CB -0.037 32.453 32.500 -0.017 0.000 0.729 290 K HN 0.162 nan 8.250 nan 0.000 0.451 291 I N 1.171 121.719 120.570 -0.036 0.000 2.685 291 I HA -0.010 4.160 4.170 -0.000 0.000 0.251 291 I C 2.551 178.640 176.117 -0.048 0.000 1.102 291 I CA 0.590 61.868 61.300 -0.037 0.000 1.442 291 I CB -0.185 37.792 38.000 -0.038 0.000 1.194 291 I HN 0.196 nan 8.210 nan 0.000 0.448 292 A N 0.836 123.611 122.820 -0.075 0.000 2.019 292 A HA -0.069 4.251 4.320 -0.000 0.000 0.219 292 A C 2.048 179.543 177.584 -0.150 0.000 1.164 292 A CA 1.332 53.292 52.037 -0.129 0.000 0.644 292 A CB -0.602 18.285 19.000 -0.188 0.000 0.805 292 A HN 0.443 nan 8.150 nan 0.000 0.449 293 L N -1.127 120.044 121.223 -0.087 0.000 2.667 293 L HA 0.307 4.647 4.340 -0.000 0.000 0.232 293 L C 0.968 177.853 176.870 0.026 0.000 1.138 293 L CA -0.142 54.685 54.840 -0.022 0.000 0.921 293 L CB -0.100 41.956 42.059 -0.004 0.000 1.180 293 L HN 0.346 nan 8.230 nan 0.000 0.487 294 A N 0.670 123.493 122.820 0.006 0.000 2.293 294 A HA 0.722 5.042 4.320 -0.000 0.000 0.302 294 A C 0.377 177.964 177.584 0.004 0.000 1.119 294 A CA -0.270 51.779 52.037 0.020 0.000 0.823 294 A CB 0.641 19.642 19.000 0.001 0.000 1.097 294 A HN 0.181 nan 8.150 nan 0.000 0.491 295 A N 2.190 125.013 122.820 0.005 0.000 2.477 295 A HA 0.555 4.875 4.320 -0.000 0.000 0.246 295 A C 0.372 177.851 177.584 -0.174 0.000 1.078 295 A CA -0.038 51.923 52.037 -0.127 0.000 0.770 295 A CB 0.085 18.932 19.000 -0.254 0.000 1.011 295 A HN 0.740 nan 8.150 nan 0.000 0.494 296 R N 2.158 122.533 120.500 -0.208 0.000 2.686 296 R HA 0.464 4.804 4.340 -0.000 0.000 0.283 296 R C -3.134 173.033 176.300 -0.222 0.000 0.978 296 R CA -2.029 53.968 56.100 -0.172 0.000 0.897 296 R CB 1.810 32.054 30.300 -0.093 0.000 1.192 296 R HN 0.435 nan 8.270 nan 0.000 0.457 297 P HA 0.075 nan 4.420 nan 0.000 0.271 297 P C -0.303 176.938 177.300 -0.099 0.000 1.218 297 P CA -0.331 62.665 63.100 -0.174 0.000 0.780 297 P CB 0.650 32.279 31.700 -0.118 0.000 0.901 298 V N -0.377 119.491 119.914 -0.076 0.000 2.715 298 V HA 0.568 4.688 4.120 -0.000 0.000 0.310 298 V C -0.261 175.951 176.094 0.198 0.000 1.054 298 V CA -1.038 61.297 62.300 0.057 0.000 0.928 298 V CB 2.012 33.831 31.823 -0.007 0.000 1.007 298 V HN 0.269 nan 8.190 nan 0.000 0.437 299 K N 2.699 123.255 120.400 0.260 0.000 2.240 299 K HA 0.728 5.048 4.320 -0.000 0.000 0.271 299 K C 0.110 176.931 176.600 0.369 0.000 1.018 299 K CA -0.293 56.151 56.287 0.261 0.000 0.874 299 K CB 1.908 34.493 32.500 0.142 0.000 1.098 299 K HN 1.050 nan 8.250 nan 0.000 0.458 300 A N 4.064 127.069 122.820 0.308 0.000 2.511 300 A HA 0.146 4.466 4.320 -0.000 0.000 0.242 300 A C 0.080 177.610 177.584 -0.090 0.000 1.069 300 A CA -0.036 51.944 52.037 -0.095 0.000 0.763 300 A CB -0.257 18.664 19.000 -0.131 0.000 1.001 300 A HN 0.748 nan 8.150 nan 0.000 0.498 301 I N 2.740 123.184 120.570 -0.210 0.000 2.307 301 I HA 0.201 4.371 4.170 -0.000 0.000 0.287 301 I C -0.148 175.870 176.117 -0.164 0.000 1.054 301 I CA 0.110 61.341 61.300 -0.116 0.000 1.218 301 I CB 1.187 39.146 38.000 -0.069 0.000 1.398 301 I HN 0.529 nan 8.210 nan 0.000 0.475 302 T N 6.483 120.975 114.554 -0.103 0.000 2.947 302 T HA 0.401 4.751 4.350 -0.000 0.000 0.337 302 T C -1.727 172.935 174.700 -0.063 0.000 1.139 302 T CA -0.939 61.108 62.100 -0.089 0.000 0.992 302 T CB 0.523 69.357 68.868 -0.056 0.000 1.043 302 T HN 0.453 nan 8.240 nan 0.000 0.498 303 P HA 0.571 nan 4.420 nan 0.000 0.284 303 P C -3.070 174.142 177.300 -0.147 0.000 1.287 303 P CA -2.202 60.838 63.100 -0.099 0.000 0.824 303 P CB 0.195 31.851 31.700 -0.074 0.000 1.180 304 P HA 0.064 nan 4.420 nan 0.000 0.266 304 P C -0.290 176.849 177.300 -0.268 0.000 1.195 304 P CA 0.456 63.351 63.100 -0.342 0.000 0.768 304 P CB -0.049 31.283 31.700 -0.614 0.000 0.838 305 T N 5.117 119.517 114.554 -0.258 0.000 2.832 305 T HA 0.280 4.630 4.350 -0.000 0.000 0.296 305 T C -2.131 172.437 174.700 -0.219 0.000 0.968 305 T CA -1.119 60.858 62.100 -0.204 0.000 1.107 305 T CB -0.034 68.713 68.868 -0.201 0.000 0.916 305 T HN 0.272 nan 8.240 nan 0.000 0.517 306 P HA 0.233 nan 4.420 nan 0.000 0.270 306 P C -0.523 176.699 177.300 -0.129 0.000 1.223 306 P CA -0.555 62.463 63.100 -0.136 0.000 0.785 306 P CB 0.260 31.903 31.700 -0.095 0.000 0.923 307 A N 2.147 124.904 122.820 -0.104 0.000 2.583 307 A HA 0.035 4.355 4.320 -0.000 0.000 0.249 307 A C 0.196 177.723 177.584 -0.095 0.000 1.035 307 A CA 0.280 52.262 52.037 -0.092 0.000 0.777 307 A CB -0.856 18.103 19.000 -0.068 0.000 0.942 307 A HN 0.371 nan 8.150 nan 0.000 0.516 308 V N 6.186 126.036 119.914 -0.106 0.000 2.432 308 V HA 0.111 4.231 4.120 -0.000 0.000 0.271 308 V C 1.579 177.634 176.094 -0.066 0.000 1.046 308 V CA -0.269 61.976 62.300 -0.091 0.000 0.945 308 V CB 0.828 32.580 31.823 -0.118 0.000 0.992 308 V HN 1.058 nan 8.190 nan 0.000 0.471 309 R N 3.722 124.191 120.500 -0.052 0.000 2.073 309 R HA -0.059 4.281 4.340 -0.000 0.000 0.234 309 R C 1.303 177.586 176.300 -0.027 0.000 1.134 309 R CA 1.460 57.532 56.100 -0.047 0.000 0.952 309 R CB -0.128 30.145 30.300 -0.045 0.000 0.850 309 R HN 0.732 nan 8.270 nan 0.000 0.433 310 A N 1.853 124.682 122.820 0.015 0.000 3.026 310 A HA 0.233 4.553 4.320 -0.000 0.000 0.272 310 A C -0.526 177.144 177.584 0.144 0.000 1.782 310 A CA 0.155 52.250 52.037 0.096 0.000 1.451 310 A CB 0.039 19.130 19.000 0.151 0.000 1.081 310 A HN 0.067 nan 8.150 nan 0.000 0.611 311 S N 0.930 116.682 115.700 0.086 0.000 2.548 311 S HA 0.506 4.976 4.470 -0.000 0.000 0.286 311 S C -0.905 173.765 174.600 0.116 0.000 1.098 311 S CA -0.563 57.702 58.200 0.108 0.000 0.930 311 S CB 1.153 64.337 63.200 -0.026 0.000 1.070 311 S HN 0.713 nan 8.310 nan 0.000 0.480 312 W N 4.365 125.696 121.300 0.051 0.000 2.342 312 W HA 0.534 5.194 4.660 -0.000 0.000 0.310 312 W C -1.766 174.621 176.519 -0.219 0.000 1.128 312 W CA -0.490 56.835 57.345 -0.034 0.000 1.322 312 W CB 0.479 30.030 29.460 0.151 0.000 1.251 312 W HN 0.322 nan 8.180 nan 0.000 0.439 313 V N 7.663 127.127 119.914 -0.749 0.000 2.398 313 V HA 0.406 4.526 4.120 -0.000 0.000 0.286 313 V C -0.060 175.620 176.094 -0.690 0.000 1.026 313 V CA -0.372 61.444 62.300 -0.807 0.000 0.868 313 V CB 1.222 32.089 31.823 -1.593 0.000 0.982 313 V HN 0.660 nan 8.190 nan 0.000 0.443 314 H N 2.475 121.478 119.070 -0.113 0.000 2.981 314 H HA 0.902 5.458 4.556 -0.000 0.000 0.327 314 H C -1.265 174.317 175.328 0.423 0.000 1.342 314 H CA -1.274 54.838 56.048 0.107 0.000 1.123 314 H CB 2.259 32.127 29.762 0.177 0.000 1.851 314 H HN 0.446 nan 8.280 nan 0.000 0.531 315 K N 1.253 121.768 120.400 0.192 0.000 2.561 315 K HA 0.258 4.578 4.320 -0.000 0.000 0.254 315 K C -1.330 175.374 176.600 0.173 0.000 0.942 315 K CA -0.131 56.214 56.287 0.095 0.000 0.818 315 K CB 2.093 34.631 32.500 0.064 0.000 1.306 315 K HN 0.906 nan 8.250 nan 0.000 0.435 316 T N 0.009 114.682 114.554 0.198 0.000 2.913 316 T HA 0.819 5.169 4.350 -0.000 0.000 0.287 316 T C 0.354 175.159 174.700 0.174 0.000 1.008 316 T CA -0.468 61.791 62.100 0.265 0.000 1.067 316 T CB 1.530 70.471 68.868 0.122 0.000 0.996 316 T HN 0.624 nan 8.240 nan 0.000 0.513 317 G N -0.373 108.537 108.800 0.183 0.000 2.719 317 G HA2 0.719 4.679 3.960 -0.000 0.000 0.298 317 G HA3 0.719 4.679 3.960 -0.000 0.000 0.298 317 G C -1.417 173.579 174.900 0.160 0.000 1.411 317 G CA -0.666 44.539 45.100 0.175 0.000 0.991 317 G HN 1.085 nan 8.290 nan 0.000 0.509 318 A N 0.819 123.726 122.820 0.145 0.000 2.498 318 A HA 0.986 5.306 4.320 -0.000 0.000 0.298 318 A C 0.185 177.857 177.584 0.146 0.000 1.075 318 A CA 0.004 52.131 52.037 0.151 0.000 0.714 318 A CB 1.834 20.889 19.000 0.092 0.000 1.299 318 A HN 1.697 nan 8.150 nan 0.000 0.407 319 T N -2.100 112.579 114.554 0.209 0.000 2.762 319 T HA 0.619 4.968 4.350 -0.000 0.000 0.272 319 T C 1.368 176.180 174.700 0.186 0.000 0.982 319 T CA 0.155 62.355 62.100 0.167 0.000 1.013 319 T CB 0.858 69.865 68.868 0.231 0.000 1.309 319 T HN 1.384 nan 8.240 nan 0.000 0.572 320 G N -0.155 108.740 108.800 0.159 0.000 2.469 320 G HA2 0.114 4.074 3.960 -0.000 0.000 0.219 320 G HA3 0.114 4.074 3.960 -0.000 0.000 0.219 320 G C 1.168 176.167 174.900 0.164 0.000 1.150 320 G CA 0.670 45.852 45.100 0.136 0.000 0.763 320 G HN 1.172 nan 8.290 nan 0.000 0.561 321 G N -1.394 107.551 108.800 0.242 0.000 3.453 321 G HA2 0.494 4.454 3.960 -0.000 0.000 0.263 321 G HA3 0.494 4.454 3.960 -0.000 0.000 0.263 321 G C -0.467 174.431 174.900 -0.003 0.000 1.060 321 G CA -0.482 44.680 45.100 0.104 0.000 0.793 321 G HN 0.200 nan 8.290 nan 0.000 0.532 322 F N -0.681 119.396 119.950 0.210 0.000 2.613 322 F HA 0.710 5.237 4.527 -0.000 0.000 0.314 322 F C 0.273 176.212 175.800 0.232 0.000 1.075 322 F CA -0.999 57.163 58.000 0.270 0.000 0.945 322 F CB 2.514 41.693 39.000 0.298 0.000 1.310 322 F HN 0.018 nan 8.300 nan 0.000 0.467 323 G N 0.761 109.848 108.800 0.478 0.000 2.739 323 G HA2 0.553 4.513 3.960 -0.000 0.000 0.291 323 G HA3 0.553 4.513 3.960 -0.000 0.000 0.291 323 G C -1.654 173.433 174.900 0.311 0.000 1.478 323 G CA -0.725 44.547 45.100 0.287 0.000 1.062 323 G HN 0.737 nan 8.290 nan 0.000 0.532 324 S N 0.871 116.720 115.700 0.249 0.000 2.599 324 S HA 0.864 5.334 4.470 -0.000 0.000 0.294 324 S C -1.442 173.355 174.600 0.327 0.000 1.094 324 S CA -1.019 57.344 58.200 0.272 0.000 0.931 324 S CB 2.510 65.862 63.200 0.253 0.000 1.093 324 S HN 1.123 nan 8.310 nan 0.000 0.488 325 Y N 0.225 120.636 120.300 0.185 0.000 2.480 325 Y HA 0.617 5.167 4.550 -0.000 0.000 0.329 325 Y C -2.011 174.045 175.900 0.260 0.000 1.127 325 Y CA -0.851 57.373 58.100 0.206 0.000 1.037 325 Y CB 1.594 40.171 38.460 0.196 0.000 1.320 325 Y HN 0.771 nan 8.280 nan 0.000 0.446 326 V N 4.598 124.291 119.914 -0.368 0.000 2.638 326 V HA 0.964 5.084 4.120 -0.000 0.000 0.306 326 V C -0.878 174.962 176.094 -0.424 0.000 1.052 326 V CA -0.258 61.954 62.300 -0.147 0.000 0.885 326 V CB 1.481 33.488 31.823 0.307 0.000 0.999 326 V HN 0.997 nan 8.190 nan 0.000 0.424 327 A N 4.911 127.525 122.820 -0.344 0.000 2.520 327 A HA 1.030 5.350 4.320 -0.000 0.000 0.298 327 A C -1.276 176.029 177.584 -0.465 0.000 1.051 327 A CA -0.505 51.188 52.037 -0.574 0.000 0.690 327 A CB 1.744 20.299 19.000 -0.743 0.000 1.281 327 A HN 1.374 nan 8.150 nan 0.000 0.402 328 F N -0.663 118.846 119.950 -0.736 0.000 2.668 328 F HA 0.832 5.359 4.527 -0.000 0.000 0.309 328 F C -1.362 174.085 175.800 -0.587 0.000 1.117 328 F CA -1.243 56.399 58.000 -0.597 0.000 0.951 328 F CB 1.333 40.044 39.000 -0.482 0.000 1.323 328 F HN 0.275 nan 8.300 nan 0.000 0.451 329 I N 2.549 122.943 120.570 -0.293 0.000 2.495 329 I HA 0.337 4.507 4.170 -0.000 0.000 0.277 329 I C -2.150 173.856 176.117 -0.185 0.000 1.045 329 I CA -1.812 59.283 61.300 -0.343 0.000 1.135 329 I CB 1.697 39.330 38.000 -0.612 0.000 1.241 329 I HN 0.383 nan 8.210 nan 0.000 0.469 330 P HA -0.227 nan 4.420 nan 0.000 0.216 330 P C 1.484 178.717 177.300 -0.112 0.000 1.153 330 P CA 1.159 64.217 63.100 -0.069 0.000 0.858 330 P CB 0.386 32.059 31.700 -0.044 0.000 0.789 331 E N 0.275 120.407 120.200 -0.114 0.000 2.160 331 E HA -0.196 4.154 4.350 -0.000 0.000 0.195 331 E C 1.279 177.805 176.600 -0.123 0.000 0.991 331 E CA 1.556 57.898 56.400 -0.096 0.000 0.810 331 E CB -0.562 29.103 29.700 -0.057 0.000 0.742 331 E HN 0.209 nan 8.360 nan 0.000 0.466 332 K N 0.056 120.346 120.400 -0.184 0.000 2.358 332 K HA 0.111 4.431 4.320 -0.000 0.000 0.197 332 K C -0.338 176.148 176.600 -0.191 0.000 1.025 332 K CA 0.329 56.500 56.287 -0.193 0.000 1.104 332 K CB 0.538 32.879 32.500 -0.265 0.000 0.855 332 K HN 0.093 nan 8.250 nan 0.000 0.531 333 E N 0.871 120.967 120.200 -0.174 0.000 2.440 333 E HA -0.219 4.131 4.350 -0.000 0.000 0.246 333 E C -0.804 175.699 176.600 -0.161 0.000 1.165 333 E CA 0.317 56.616 56.400 -0.168 0.000 0.726 333 E CB -1.388 28.211 29.700 -0.169 0.000 1.271 333 E HN 0.124 nan 8.360 nan 0.000 0.397 334 L N -0.367 120.763 121.223 -0.155 0.000 2.386 334 L HA 0.793 5.133 4.340 -0.000 0.000 0.271 334 L C 0.089 176.895 176.870 -0.107 0.000 0.993 334 L CA 0.235 55.008 54.840 -0.111 0.000 0.819 334 L CB 2.098 44.071 42.059 -0.143 0.000 1.294 334 L HN 0.076 nan 8.230 nan 0.000 0.414 335 G N 4.061 112.831 108.800 -0.050 0.000 2.608 335 G HA2 0.609 4.569 3.960 -0.000 0.000 0.291 335 G HA3 0.609 4.569 3.960 -0.000 0.000 0.291 335 G C -2.210 172.697 174.900 0.013 0.000 1.425 335 G CA -0.472 44.601 45.100 -0.044 0.000 0.787 335 G HN 0.769 nan 8.290 nan 0.000 0.484 336 I N -0.094 120.490 120.570 0.024 0.000 2.752 336 I HA 0.610 4.780 4.170 -0.000 0.000 0.295 336 I C -1.312 174.882 176.117 0.127 0.000 1.219 336 I CA -0.967 60.394 61.300 0.101 0.000 1.030 336 I CB 2.249 40.334 38.000 0.141 0.000 1.259 336 I HN 0.368 nan 8.210 nan 0.000 0.423 337 V N 7.307 127.331 119.914 0.183 0.000 2.540 337 V HA 0.532 4.652 4.120 -0.000 0.000 0.302 337 V C -0.412 175.825 176.094 0.239 0.000 1.035 337 V CA -0.474 61.952 62.300 0.209 0.000 0.873 337 V CB 1.774 33.734 31.823 0.228 0.000 0.992 337 V HN 0.642 nan 8.190 nan 0.000 0.428 338 M N 6.171 125.924 119.600 0.254 0.000 2.093 338 M HA 0.594 5.074 4.480 -0.000 0.000 0.297 338 M C -1.283 175.129 176.300 0.186 0.000 0.938 338 M CA -0.137 55.313 55.300 0.251 0.000 0.920 338 M CB 1.749 34.545 32.600 0.326 0.000 1.517 338 M HN 0.387 nan 8.290 nan 0.000 0.427 339 L N 2.987 124.215 121.223 0.009 0.000 2.313 339 L HA 0.979 5.319 4.340 -0.000 0.000 0.283 339 L C -0.309 176.409 176.870 -0.252 0.000 1.013 339 L CA -0.692 54.005 54.840 -0.239 0.000 0.816 339 L CB 1.698 43.253 42.059 -0.840 0.000 1.236 339 L HN 0.798 nan 8.230 nan 0.000 0.419 340 A N 2.018 124.938 122.820 0.167 0.000 2.414 340 A HA 0.571 4.891 4.320 -0.000 0.000 0.306 340 A C -0.326 177.583 177.584 0.542 0.000 1.054 340 A CA -0.765 51.491 52.037 0.366 0.000 0.724 340 A CB 1.239 20.448 19.000 0.347 0.000 1.267 340 A HN 0.752 nan 8.150 nan 0.000 0.418 341 N N 1.185 120.151 118.700 0.443 0.000 2.575 341 N HA 0.160 4.899 4.740 -0.000 0.000 0.275 341 N C -0.441 175.038 175.510 -0.052 0.000 1.202 341 N CA -0.087 52.912 53.050 -0.084 0.000 0.945 341 N CB 0.176 38.611 38.487 -0.088 0.000 1.247 341 N HN 0.605 nan 8.380 nan 0.000 0.510 342 K N 0.029 120.505 120.400 0.127 0.000 2.523 342 K HA 0.250 4.570 4.320 -0.000 0.000 0.257 342 K C -1.456 175.328 176.600 0.307 0.000 0.932 342 K CA -0.710 55.684 56.287 0.177 0.000 0.812 342 K CB 1.210 33.812 32.500 0.170 0.000 1.326 342 K HN -0.064 nan 8.250 nan 0.000 0.433 343 N N 3.772 122.616 118.700 0.241 0.000 2.739 343 N HA 0.084 4.824 4.740 -0.000 0.000 0.266 343 N C -1.424 174.212 175.510 0.209 0.000 1.168 343 N CA -0.194 52.984 53.050 0.214 0.000 1.055 343 N CB -0.213 38.365 38.487 0.151 0.000 1.393 343 N HN 0.449 nan 8.380 nan 0.000 0.514 344 Y N 1.359 121.705 120.300 0.077 0.000 2.376 344 Y HA 0.721 5.271 4.550 -0.000 0.000 0.325 344 Y C -2.383 173.540 175.900 0.039 0.000 1.199 344 Y CA -3.500 54.629 58.100 0.049 0.000 1.206 344 Y CB -0.419 38.064 38.460 0.039 0.000 1.229 344 Y HN 0.227 nan 8.280 nan 0.000 0.480 345 P HA -0.076 nan 4.420 nan 0.000 0.261 345 P C 0.073 177.251 177.300 -0.203 0.000 1.173 345 P CA 0.380 63.435 63.100 -0.076 0.000 0.760 345 P CB 0.804 32.507 31.700 0.006 0.000 0.783 346 N N 4.373 122.961 118.700 -0.186 0.000 2.060 346 N HA -0.162 4.578 4.740 -0.000 0.000 0.195 346 N C -0.857 174.544 175.510 -0.182 0.000 1.028 346 N CA 1.904 54.831 53.050 -0.207 0.000 0.861 346 N CB -1.995 36.406 38.487 -0.143 0.000 1.029 346 N HN 0.465 nan 8.380 nan 0.000 0.428 347 P HA -0.049 nan 4.420 nan 0.000 0.218 347 P C 1.103 178.374 177.300 -0.049 0.000 1.148 347 P CA 1.507 64.558 63.100 -0.082 0.000 0.822 347 P CB -0.089 31.577 31.700 -0.056 0.000 0.784 348 A N 0.187 123.004 122.820 -0.005 0.000 1.902 348 A HA -0.237 4.083 4.320 -0.000 0.000 0.217 348 A C 2.200 179.853 177.584 0.114 0.000 1.181 348 A CA 1.579 53.669 52.037 0.090 0.000 0.623 348 A CB -1.001 18.128 19.000 0.215 0.000 0.818 348 A HN 0.127 nan 8.150 nan 0.000 0.443 349 R N -0.632 119.872 120.500 0.006 0.000 2.070 349 R HA -0.072 4.268 4.340 -0.000 0.000 0.233 349 R C 1.985 178.198 176.300 -0.146 0.000 1.137 349 R CA 1.535 57.615 56.100 -0.034 0.000 0.945 349 R CB -0.807 29.345 30.300 -0.247 0.000 0.845 349 R HN 0.357 nan 8.270 nan 0.000 0.430 350 V N 1.824 121.549 119.914 -0.315 0.000 2.358 350 V HA -0.244 3.876 4.120 -0.000 0.000 0.246 350 V C 1.976 178.127 176.094 0.094 0.000 1.047 350 V CA 2.149 64.311 62.300 -0.230 0.000 1.035 350 V CB -0.642 31.074 31.823 -0.179 0.000 0.658 350 V HN 0.341 nan 8.190 nan 0.000 0.452 351 D N 0.676 121.111 120.400 0.059 0.000 2.092 351 D HA -0.202 4.438 4.640 -0.000 0.000 0.193 351 D C 2.126 178.564 176.300 0.230 0.000 0.994 351 D CA 1.828 55.908 54.000 0.133 0.000 0.828 351 D CB -0.211 40.630 40.800 0.068 0.000 0.963 351 D HN 0.350 nan 8.370 nan 0.000 0.450 352 A N 0.444 123.369 122.820 0.175 0.000 1.908 352 A HA -0.010 4.310 4.320 -0.000 0.000 0.218 352 A C 2.418 180.145 177.584 0.238 0.000 1.181 352 A CA 2.496 54.634 52.037 0.169 0.000 0.627 352 A CB -1.255 17.820 19.000 0.124 0.000 0.818 352 A HN 0.381 nan 8.150 nan 0.000 0.445 353 A N -1.023 122.002 122.820 0.342 0.000 1.877 353 A HA -0.194 4.126 4.320 -0.000 0.000 0.216 353 A C 2.121 180.037 177.584 0.553 0.000 1.186 353 A CA 1.477 53.805 52.037 0.484 0.000 0.620 353 A CB -1.015 18.456 19.000 0.786 0.000 0.822 353 A HN 0.904 nan 8.150 nan 0.000 0.443 354 W N 0.728 122.279 121.300 0.419 0.000 2.335 354 W HA -0.223 4.437 4.660 -0.000 0.000 0.311 354 W C 1.839 178.497 176.519 0.232 0.000 1.213 354 W CA 2.210 59.746 57.345 0.319 0.000 1.274 354 W CB -0.389 29.107 29.460 0.058 0.000 1.148 354 W HN 0.394 nan 8.180 nan 0.000 0.498 355 Q N 0.660 120.518 119.800 0.098 0.000 2.096 355 Q HA -0.205 4.135 4.340 -0.000 0.000 0.204 355 Q C 2.300 178.244 176.000 -0.093 0.000 0.982 355 Q CA 2.151 57.931 55.803 -0.039 0.000 0.850 355 Q CB -0.868 27.925 28.738 0.093 0.000 0.901 355 Q HN 0.510 nan 8.270 nan 0.000 0.422 356 I N 0.123 120.693 120.570 -0.001 0.000 2.193 356 I HA -0.250 3.920 4.170 -0.000 0.000 0.240 356 I C 2.279 178.378 176.117 -0.029 0.000 1.084 356 I CA 0.852 62.147 61.300 -0.009 0.000 1.365 356 I CB -0.252 37.770 38.000 0.037 0.000 1.064 356 I HN 0.114 nan 8.210 nan 0.000 0.410 357 L N 0.247 121.481 121.223 0.019 0.000 2.156 357 L HA -0.173 4.167 4.340 -0.000 0.000 0.208 357 L C 2.229 179.055 176.870 -0.073 0.000 1.095 357 L CA 1.193 56.044 54.840 0.018 0.000 0.770 357 L CB -0.728 41.404 42.059 0.122 0.000 0.914 357 L HN 0.320 nan 8.230 nan 0.000 0.439 358 N N 0.585 119.107 118.700 -0.296 0.000 2.166 358 N HA -0.154 4.586 4.740 -0.000 0.000 0.186 358 N C 1.766 177.178 175.510 -0.163 0.000 1.019 358 N CA 1.393 54.207 53.050 -0.394 0.000 0.856 358 N CB 0.008 37.856 38.487 -1.064 0.000 0.993 358 N HN 0.269 nan 8.380 nan 0.000 0.426 359 A N -0.286 122.448 122.820 -0.143 0.000 2.015 359 A HA 0.024 4.344 4.320 -0.000 0.000 0.219 359 A C 1.903 179.468 177.584 -0.031 0.000 1.163 359 A CA 0.857 52.851 52.037 -0.072 0.000 0.646 359 A CB -0.324 18.632 19.000 -0.073 0.000 0.806 359 A HN 0.361 nan 8.150 nan 0.000 0.448 360 L N -0.614 120.602 121.223 -0.011 0.000 2.590 360 L HA 0.072 4.412 4.340 -0.000 0.000 0.227 360 L C 1.597 178.554 176.870 0.145 0.000 1.099 360 L CA -0.199 54.676 54.840 0.058 0.000 0.872 360 L CB -0.174 41.917 42.059 0.053 0.000 1.088 360 L HN 0.553 nan 8.230 nan 0.000 0.479 361 Q N 0.000 119.846 119.800 0.077 0.000 2.315 361 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 361 Q CA 0.000 55.846 55.803 0.072 0.000 1.022 361 Q CB 0.000 28.811 28.738 0.121 0.000 1.108 361 Q HN 0.000 nan 8.270 nan 0.000 0.481