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 1l2s_1_A 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 INGSDNXXXL 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 0.000 177.532 177.584 -0.087 0.000 1.274 4 A CA 0.000 52.065 52.037 0.047 0.000 0.836 4 A CB 0.000 19.049 19.000 0.081 0.000 0.831 5 P HA 0.092 nan 4.420 nan 0.000 0.264 5 P C 1.040 178.249 177.300 -0.152 0.000 1.183 5 P CA 0.141 63.109 63.100 -0.219 0.000 0.763 5 P CB 0.665 32.135 31.700 -0.384 0.000 0.807 6 Q N 2.076 121.823 119.800 -0.088 0.000 2.124 6 Q HA -0.276 4.050 4.340 -0.023 0.000 0.202 6 Q C 1.950 177.913 176.000 -0.062 0.000 0.977 6 Q CA 1.460 57.236 55.803 -0.045 0.000 0.850 6 Q CB -0.043 28.678 28.738 -0.029 0.000 0.901 6 Q HN 0.529 nan 8.270 nan 0.000 0.429 7 Q N 0.135 119.867 119.800 -0.113 0.000 2.061 7 Q HA -0.208 4.119 4.340 -0.023 0.000 0.204 7 Q C 1.991 177.904 176.000 -0.145 0.000 0.984 7 Q CA 1.775 57.503 55.803 -0.125 0.000 0.846 7 Q CB -0.129 28.510 28.738 -0.165 0.000 0.902 7 Q HN 0.528 nan 8.270 nan 0.000 0.421 8 I N 0.629 121.068 120.570 -0.219 0.000 2.179 8 I HA -0.278 3.878 4.170 -0.023 0.000 0.242 8 I C 2.303 178.361 176.117 -0.098 0.000 1.088 8 I CA 1.359 62.537 61.300 -0.204 0.000 1.357 8 I CB -0.509 37.302 38.000 -0.314 0.000 1.051 8 I HN 0.347 nan 8.210 nan 0.000 0.409 9 N N 1.184 119.910 118.700 0.042 0.000 2.036 9 N HA -0.248 4.478 4.740 -0.023 0.000 0.195 9 N C 1.502 177.108 175.510 0.160 0.000 1.037 9 N CA 2.110 55.293 53.050 0.222 0.000 0.855 9 N CB -0.035 38.596 38.487 0.240 0.000 1.033 9 N HN 0.197 nan 8.380 nan 0.000 0.423 10 D N -0.087 120.353 120.400 0.067 0.000 2.097 10 D HA -0.134 4.492 4.640 -0.023 0.000 0.195 10 D C 1.923 178.234 176.300 0.019 0.000 0.989 10 D CA 0.732 54.765 54.000 0.056 0.000 0.827 10 D CB -0.463 40.347 40.800 0.017 0.000 0.966 10 D HN 0.353 nan 8.370 nan 0.000 0.456 11 I N 0.566 121.112 120.570 -0.041 0.000 2.226 11 I HA -0.212 3.944 4.170 -0.023 0.000 0.245 11 I C 2.127 178.190 176.117 -0.090 0.000 1.100 11 I CA 0.896 62.162 61.300 -0.057 0.000 1.374 11 I CB -0.108 37.848 38.000 -0.074 0.000 1.057 11 I HN -0.187 nan 8.210 nan 0.000 0.413 12 V N 0.369 120.163 119.914 -0.201 0.000 2.237 12 V HA -0.345 3.761 4.120 -0.023 0.000 0.245 12 V C 2.408 178.383 176.094 -0.197 0.000 1.046 12 V CA 2.489 64.591 62.300 -0.330 0.000 1.007 12 V CB -1.140 30.144 31.823 -0.899 0.000 0.638 12 V HN 0.470 nan 8.190 nan 0.000 0.445 13 H N -0.058 118.992 119.070 -0.032 0.000 2.352 13 H HA -0.121 4.422 4.556 -0.023 0.000 0.299 13 H C 2.520 177.886 175.328 0.063 0.000 1.097 13 H CA 1.879 58.013 56.048 0.143 0.000 1.311 13 H CB -0.128 29.732 29.762 0.162 0.000 1.377 13 H HN 0.265 nan 8.280 nan 0.000 0.504 14 R N -0.534 120.044 120.500 0.130 0.000 2.152 14 R HA -0.080 4.246 4.340 -0.023 0.000 0.232 14 R C 1.794 178.106 176.300 0.020 0.000 1.117 14 R CA 1.676 57.817 56.100 0.068 0.000 0.981 14 R CB 0.001 30.328 30.300 0.045 0.000 0.870 14 R HN 0.315 nan 8.270 nan 0.000 0.451 15 T N 0.595 115.142 114.554 -0.012 0.000 2.901 15 T HA 0.082 4.418 4.350 -0.023 0.000 0.252 15 T C 1.752 176.395 174.700 -0.095 0.000 1.035 15 T CA 0.465 62.545 62.100 -0.034 0.000 1.142 15 T CB 0.162 69.017 68.868 -0.023 0.000 0.869 15 T HN 0.006 nan 8.240 nan 0.000 0.442 16 I N 1.968 122.434 120.570 -0.174 0.000 2.353 16 I HA -0.072 4.084 4.170 -0.023 0.000 0.248 16 I C 2.576 178.431 176.117 -0.437 0.000 1.119 16 I CA 1.271 62.338 61.300 -0.389 0.000 1.417 16 I CB -1.839 35.713 38.000 -0.748 0.000 1.078 16 I HN 0.238 nan 8.210 nan 0.000 0.421 17 T N 2.262 116.662 114.554 -0.257 0.000 2.635 17 T HA -0.117 4.219 4.350 -0.023 0.000 0.267 17 T C -0.160 174.458 174.700 -0.137 0.000 1.040 17 T CA 1.850 63.853 62.100 -0.162 0.000 1.156 17 T CB -1.375 67.525 68.868 0.053 0.000 0.863 17 T HN 0.226 nan 8.240 nan 0.000 0.430 18 P HA -0.015 nan 4.420 nan 0.000 0.217 18 P C 1.614 178.851 177.300 -0.105 0.000 1.150 18 P CA 0.506 63.564 63.100 -0.069 0.000 0.832 18 P CB -0.142 31.535 31.700 -0.038 0.000 0.787 19 L N -0.537 120.595 121.223 -0.151 0.000 1.994 19 L HA -0.154 4.173 4.340 -0.023 0.000 0.208 19 L C 2.171 178.892 176.870 -0.250 0.000 1.071 19 L CA 1.858 56.584 54.840 -0.189 0.000 0.745 19 L CB -1.218 40.710 42.059 -0.219 0.000 0.892 19 L HN -0.131 nan 8.230 nan 0.000 0.431 20 I N -0.184 120.208 120.570 -0.296 0.000 2.264 20 I HA -0.285 3.871 4.170 -0.023 0.000 0.248 20 I C 2.881 178.902 176.117 -0.159 0.000 1.111 20 I CA 1.522 62.663 61.300 -0.266 0.000 1.382 20 I CB -0.913 36.909 38.000 -0.297 0.000 1.060 20 I HN 0.503 nan 8.210 nan 0.000 0.418 21 E N 0.690 120.818 120.200 -0.121 0.000 2.031 21 E HA -0.284 4.052 4.350 -0.023 0.000 0.193 21 E C 2.280 178.842 176.600 -0.064 0.000 0.994 21 E CA 1.966 58.325 56.400 -0.069 0.000 0.800 21 E CB -1.316 28.357 29.700 -0.045 0.000 0.752 21 E HN 0.610 nan 8.360 nan 0.000 0.447 22 Q N 0.067 119.825 119.800 -0.070 0.000 2.084 22 Q HA -0.189 4.137 4.340 -0.023 0.000 0.202 22 Q C 2.197 178.165 176.000 -0.052 0.000 0.978 22 Q CA 1.826 57.599 55.803 -0.050 0.000 0.844 22 Q CB -0.468 28.244 28.738 -0.043 0.000 0.898 22 Q HN 0.646 nan 8.270 nan 0.000 0.426 23 Q N -0.553 119.190 119.800 -0.096 0.000 2.425 23 Q HA 0.124 4.451 4.340 -0.023 0.000 0.204 23 Q C -0.304 175.654 176.000 -0.070 0.000 0.933 23 Q CA 0.585 56.335 55.803 -0.088 0.000 0.939 23 Q CB 0.601 29.213 28.738 -0.210 0.000 1.044 23 Q HN 0.817 nan 8.270 nan 0.000 0.513 24 K N 0.811 121.166 120.400 -0.074 0.000 3.150 24 K HA -0.165 4.141 4.320 -0.023 0.000 0.267 24 K C -0.573 175.998 176.600 -0.049 0.000 1.028 24 K CA 0.210 56.467 56.287 -0.051 0.000 0.753 24 K CB -1.914 30.570 32.500 -0.028 0.000 1.288 24 K HN 0.267 nan 8.250 nan 0.000 0.473 25 I N 0.954 121.475 120.570 -0.082 0.000 2.452 25 I HA 0.012 4.169 4.170 -0.023 0.000 0.287 25 I C -0.939 175.184 176.117 0.011 0.000 1.079 25 I CA -2.051 59.221 61.300 -0.048 0.000 1.387 25 I CB 0.813 38.728 38.000 -0.143 0.000 1.404 25 I HN 0.018 nan 8.210 nan 0.000 0.522 26 P HA -0.024 nan 4.420 nan 0.000 0.216 26 P C 0.368 177.775 177.300 0.179 0.000 1.153 26 P CA 0.533 63.652 63.100 0.032 0.000 0.848 26 P CB 0.290 31.913 31.700 -0.129 0.000 0.787 27 G N -1.491 107.456 108.800 0.244 0.000 2.733 27 G HA2 0.672 4.619 3.960 -0.023 0.000 0.297 27 G HA3 0.672 4.619 3.960 -0.023 0.000 0.297 27 G C -1.941 173.224 174.900 0.442 0.000 1.422 27 G CA -0.368 44.940 45.100 0.347 0.000 0.942 27 G HN 0.053 nan 8.290 nan 0.000 0.510 28 M N 1.004 120.900 119.600 0.494 0.000 2.465 28 M HA 0.725 5.191 4.480 -0.023 0.000 0.284 28 M C -1.583 175.056 176.300 0.565 0.000 1.212 28 M CA -0.632 54.940 55.300 0.452 0.000 0.910 28 M CB 2.282 35.017 32.600 0.225 0.000 1.725 28 M HN 1.102 nan 8.290 nan 0.000 0.477 29 A N 3.035 126.050 122.820 0.325 0.000 2.393 29 A HA 0.876 5.183 4.320 -0.023 0.000 0.306 29 A C -1.781 175.996 177.584 0.322 0.000 1.050 29 A CA -0.610 51.631 52.037 0.340 0.000 0.724 29 A CB 1.840 20.973 19.000 0.222 0.000 1.248 29 A HN 0.630 nan 8.150 nan 0.000 0.424 30 V N 0.770 120.969 119.914 0.475 0.000 2.841 30 V HA 0.816 4.922 4.120 -0.023 0.000 0.310 30 V C 0.009 176.390 176.094 0.479 0.000 1.090 30 V CA -0.176 62.390 62.300 0.444 0.000 0.930 30 V CB 1.908 34.034 31.823 0.506 0.000 1.014 30 V HN 1.490 nan 8.190 nan 0.000 0.425 31 A N 3.707 126.749 122.820 0.370 0.000 2.371 31 A HA 0.911 5.217 4.320 -0.023 0.000 0.311 31 A C -1.283 176.438 177.584 0.227 0.000 1.068 31 A CA -0.577 51.639 52.037 0.299 0.000 0.744 31 A CB 1.939 21.111 19.000 0.285 0.000 1.239 31 A HN 0.678 nan 8.150 nan 0.000 0.435 32 V N 3.158 123.206 119.914 0.223 0.000 2.487 32 V HA 0.379 4.485 4.120 -0.023 0.000 0.298 32 V C -0.942 175.262 176.094 0.184 0.000 1.028 32 V CA -0.298 62.128 62.300 0.209 0.000 0.860 32 V CB 1.461 33.433 31.823 0.248 0.000 0.991 32 V HN 0.729 nan 8.190 nan 0.000 0.427 33 I N 5.773 126.413 120.570 0.117 0.000 2.304 33 I HA 0.361 4.517 4.170 -0.023 0.000 0.291 33 I C -0.690 175.523 176.117 0.160 0.000 1.018 33 I CA -0.211 61.135 61.300 0.076 0.000 1.260 33 I CB 0.759 38.739 38.000 -0.032 0.000 1.390 33 I HN 0.582 nan 8.210 nan 0.000 0.475 34 Y N 5.387 125.759 120.300 0.121 0.000 2.331 34 Y HA 0.348 4.884 4.550 -0.023 0.000 0.334 34 Y C 0.318 176.267 175.900 0.081 0.000 0.960 34 Y CA -0.758 57.400 58.100 0.097 0.000 1.130 34 Y CB 1.076 39.609 38.460 0.122 0.000 1.164 34 Y HN 0.658 nan 8.280 nan 0.000 0.458 35 Q N 4.647 124.188 119.800 -0.433 0.000 2.453 35 Q HA -0.279 4.047 4.340 -0.023 0.000 0.294 35 Q C 1.129 177.064 176.000 -0.109 0.000 1.295 35 Q CA 1.156 56.780 55.803 -0.297 0.000 0.853 35 Q CB -1.527 27.047 28.738 -0.273 0.000 1.193 35 Q HN 1.352 nan 8.270 nan 0.000 0.461 36 G N -0.710 108.028 108.800 -0.103 0.000 2.284 36 G HA2 -0.362 3.584 3.960 -0.023 0.000 0.261 36 G HA3 -0.362 3.584 3.960 -0.023 0.000 0.261 36 G C 0.126 174.985 174.900 -0.067 0.000 0.997 36 G CA 0.821 45.869 45.100 -0.087 0.000 0.621 36 G HN 0.324 nan 8.290 nan 0.000 0.534 37 K N 1.736 122.121 120.400 -0.025 0.000 2.130 37 K HA 0.524 4.830 4.320 -0.023 0.000 0.268 37 K C -2.551 173.903 176.600 -0.243 0.000 0.983 37 K CA -1.747 54.464 56.287 -0.127 0.000 0.893 37 K CB 2.400 34.832 32.500 -0.113 0.000 1.066 37 K HN 0.125 nan 8.250 nan 0.000 0.450 38 P HA 0.237 nan 4.420 nan 0.000 0.296 38 P C -1.553 175.114 177.300 -1.056 0.000 1.301 38 P CA -0.508 62.243 63.100 -0.580 0.000 0.862 38 P CB 0.726 32.124 31.700 -0.502 0.000 1.046 39 Y N 1.350 121.354 120.300 -0.493 0.000 2.391 39 Y HA 0.441 4.977 4.550 -0.023 0.000 0.341 39 Y C -0.039 175.508 175.900 -0.588 0.000 0.965 39 Y CA -0.523 57.304 58.100 -0.454 0.000 1.067 39 Y CB 1.762 40.166 38.460 -0.093 0.000 1.199 39 Y HN 0.285 nan 8.280 nan 0.000 0.450 40 Y N 2.489 122.610 120.300 -0.298 0.000 2.420 40 Y HA 0.702 5.239 4.550 -0.023 0.000 0.334 40 Y C -0.959 174.447 175.900 -0.823 0.000 1.094 40 Y CA -1.630 56.284 58.100 -0.310 0.000 1.126 40 Y CB 1.277 39.635 38.460 -0.169 0.000 1.217 40 Y HN 0.375 nan 8.280 nan 0.000 0.462 41 F N 0.032 120.040 119.950 0.097 0.000 2.581 41 F HA 0.645 5.158 4.527 -0.024 0.000 0.311 41 F C -0.363 175.241 175.800 -0.326 0.000 1.113 41 F CA -0.963 56.879 58.000 -0.263 0.000 0.935 41 F CB 2.409 41.164 39.000 -0.409 0.000 1.232 41 F HN 0.421 nan 8.300 nan 0.000 0.445 42 T N -1.559 112.737 114.554 -0.430 0.000 2.903 42 T HA 0.691 5.027 4.350 -0.023 0.000 0.299 42 T C -1.604 172.907 174.700 -0.315 0.000 1.093 42 T CA -0.802 61.213 62.100 -0.142 0.000 1.002 42 T CB 2.030 70.903 68.868 0.009 0.000 1.127 42 T HN 0.602 nan 8.240 nan 0.000 0.488 43 W N 0.151 121.541 121.300 0.150 0.000 3.217 43 W HA 0.497 5.143 4.660 -0.024 0.000 0.323 43 W C 0.812 177.377 176.519 0.075 0.000 1.216 43 W CA -0.182 57.229 57.345 0.110 0.000 1.194 43 W CB 1.693 31.225 29.460 0.120 0.000 1.397 43 W HN 1.391 nan 8.180 nan 0.000 0.537 44 G N 1.386 110.327 108.800 0.235 0.000 2.575 44 G HA2 -0.312 3.634 3.960 -0.023 0.000 0.267 44 G HA3 -0.312 3.634 3.960 -0.023 0.000 0.267 44 G C -1.577 173.209 174.900 -0.190 0.000 1.264 44 G CA -0.017 45.143 45.100 0.100 0.000 0.935 44 G HN 0.475 nan 8.290 nan 0.000 0.568 45 Y N 0.179 120.568 120.300 0.148 0.000 2.377 45 Y HA 0.626 5.163 4.550 -0.021 0.000 0.339 45 Y C 1.328 177.332 175.900 0.173 0.000 1.011 45 Y CA 0.093 58.272 58.100 0.132 0.000 1.093 45 Y CB 1.903 40.405 38.460 0.069 0.000 1.201 45 Y HN 0.811 nan 8.280 nan 0.000 0.455 46 A N 0.894 123.877 122.820 0.272 0.000 1.984 46 A HA 0.022 4.328 4.320 -0.023 0.000 0.214 46 A C 0.174 177.979 177.584 0.369 0.000 1.173 46 A CA 1.106 53.279 52.037 0.227 0.000 0.673 46 A CB 0.130 19.192 19.000 0.104 0.000 0.830 46 A HN 0.646 nan 8.150 nan 0.000 0.453 47 D N -0.835 119.806 120.400 0.403 0.000 2.386 47 D HA 0.377 5.003 4.640 -0.023 0.000 0.247 47 D C 0.630 177.119 176.300 0.316 0.000 1.336 47 D CA -0.407 53.861 54.000 0.446 0.000 0.976 47 D CB 0.713 41.752 40.800 0.399 0.000 1.257 47 D HN 0.141 nan 8.370 nan 0.000 0.570 48 I N 2.124 122.825 120.570 0.218 0.000 2.142 48 I HA -0.249 3.908 4.170 -0.023 0.000 0.240 48 I C 2.502 178.568 176.117 -0.084 0.000 1.078 48 I CA 1.324 62.574 61.300 -0.084 0.000 1.343 48 I CB -0.125 37.703 38.000 -0.286 0.000 1.046 48 I HN 0.440 nan 8.210 nan 0.000 0.405 49 A N 0.799 123.605 122.820 -0.024 0.000 1.917 49 A HA -0.236 4.071 4.320 -0.023 0.000 0.219 49 A C 2.157 179.735 177.584 -0.010 0.000 1.182 49 A CA 1.807 53.816 52.037 -0.046 0.000 0.633 49 A CB -0.478 18.479 19.000 -0.072 0.000 0.819 49 A HN 0.394 nan 8.150 nan 0.000 0.448 50 K N -0.805 119.626 120.400 0.052 0.000 2.417 50 K HA 0.123 4.429 4.320 -0.023 0.000 0.196 50 K C -0.339 176.332 176.600 0.117 0.000 1.023 50 K CA 0.152 56.488 56.287 0.081 0.000 1.122 50 K CB 0.129 32.699 32.500 0.116 0.000 0.850 50 K HN 0.450 nan 8.250 nan 0.000 0.521 51 K N 1.319 121.791 120.400 0.121 0.000 3.035 51 K HA -0.180 4.127 4.320 -0.023 0.000 0.262 51 K C -0.733 176.105 176.600 0.396 0.000 1.024 51 K CA 0.548 56.981 56.287 0.244 0.000 0.748 51 K CB -1.013 31.579 32.500 0.154 0.000 1.247 51 K HN 0.180 nan 8.250 nan 0.000 0.482 52 Q N 0.539 120.548 119.800 0.348 0.000 2.294 52 Q HA 0.226 4.552 4.340 -0.023 0.000 0.257 52 Q C -2.081 174.024 176.000 0.175 0.000 0.955 52 Q CA -1.898 54.038 55.803 0.223 0.000 0.936 52 Q CB 1.001 29.850 28.738 0.186 0.000 1.188 52 Q HN 0.158 nan 8.270 nan 0.000 0.420 53 P HA 0.130 nan 4.420 nan 0.000 0.276 53 P C -0.244 177.031 177.300 -0.041 0.000 1.244 53 P CA -0.430 62.551 63.100 -0.199 0.000 0.801 53 P CB 1.033 32.605 31.700 -0.213 0.000 1.006 54 V N 2.091 122.000 119.914 -0.008 0.000 2.614 54 V HA 0.269 4.375 4.120 -0.023 0.000 0.291 54 V C 1.209 177.348 176.094 0.075 0.000 1.049 54 V CA 0.656 63.023 62.300 0.111 0.000 1.038 54 V CB 0.468 32.458 31.823 0.278 0.000 0.980 54 V HN 0.893 nan 8.190 nan 0.000 0.481 55 T N 1.351 115.952 114.554 0.078 0.000 2.831 55 T HA 0.351 4.687 4.350 -0.023 0.000 0.287 55 T C 0.440 175.162 174.700 0.036 0.000 1.070 55 T CA -0.725 61.390 62.100 0.025 0.000 1.010 55 T CB 1.666 70.525 68.868 -0.015 0.000 1.264 55 T HN 0.434 nan 8.240 nan 0.000 0.532 56 Q N -0.402 119.364 119.800 -0.056 0.000 2.437 56 Q HA -0.029 4.297 4.340 -0.023 0.000 0.210 56 Q C 1.251 177.180 176.000 -0.118 0.000 0.972 56 Q CA 1.010 56.730 55.803 -0.139 0.000 0.903 56 Q CB -0.095 28.454 28.738 -0.316 0.000 0.967 56 Q HN 0.532 nan 8.270 nan 0.000 0.486 57 Q N -0.748 119.002 119.800 -0.084 0.000 2.282 57 Q HA 0.094 4.421 4.340 -0.023 0.000 0.206 57 Q C -0.131 175.855 176.000 -0.022 0.000 0.878 57 Q CA 0.276 56.014 55.803 -0.109 0.000 0.944 57 Q CB 0.923 29.573 28.738 -0.147 0.000 1.100 57 Q HN 0.062 nan 8.270 nan 0.000 0.509 58 T N 1.166 115.746 114.554 0.043 0.000 2.888 58 T HA 0.234 4.571 4.350 -0.023 0.000 0.301 58 T C 0.011 174.750 174.700 0.065 0.000 1.001 58 T CA -0.016 62.097 62.100 0.023 0.000 1.147 58 T CB 0.333 69.191 68.868 -0.017 0.000 0.931 58 T HN 0.134 nan 8.240 nan 0.000 0.541 59 L N 3.837 125.061 121.223 0.002 0.000 2.312 59 L HA 0.543 4.869 4.340 -0.023 0.000 0.281 59 L C -0.605 176.259 176.870 -0.010 0.000 1.070 59 L CA -0.546 54.325 54.840 0.051 0.000 0.805 59 L CB 0.532 42.568 42.059 -0.040 0.000 1.174 59 L HN 0.544 nan 8.230 nan 0.000 0.434 60 F N 0.379 120.359 119.950 0.051 0.000 2.561 60 F HA 0.368 4.883 4.527 -0.021 0.000 0.321 60 F C 0.272 175.837 175.800 -0.392 0.000 1.065 60 F CA -0.895 57.071 58.000 -0.058 0.000 0.934 60 F CB 1.560 40.675 39.000 0.192 0.000 1.215 60 F HN 0.376 nan 8.300 nan 0.000 0.471 61 E N 2.560 122.234 120.200 -0.877 0.000 2.290 61 E HA 0.192 4.528 4.350 -0.023 0.000 0.277 61 E C 0.420 176.940 176.600 -0.133 0.000 1.035 61 E CA -0.062 56.034 56.400 -0.508 0.000 0.873 61 E CB 0.933 30.252 29.700 -0.635 0.000 1.029 61 E HN 0.611 nan 8.360 nan 0.000 0.419 62 L N 2.789 124.017 121.223 0.008 0.000 2.418 62 L HA 0.079 4.405 4.340 -0.023 0.000 0.218 62 L C 1.448 178.415 176.870 0.162 0.000 1.125 62 L CA 0.492 55.402 54.840 0.117 0.000 0.835 62 L CB -0.749 41.389 42.059 0.133 0.000 0.953 62 L HN 0.913 nan 8.230 nan 0.000 0.454 63 G N 0.426 109.327 108.800 0.168 0.000 2.583 63 G HA2 -0.396 3.550 3.960 -0.023 0.000 0.292 63 G HA3 -0.396 3.550 3.960 -0.023 0.000 0.292 63 G C 0.885 175.931 174.900 0.243 0.000 1.203 63 G CA 0.400 45.630 45.100 0.215 0.000 0.987 63 G HN 0.186 nan 8.290 nan 0.000 0.554 64 S N -0.138 115.701 115.700 0.232 0.000 2.469 64 S HA -0.003 4.453 4.470 -0.023 0.000 0.238 64 S C 2.425 177.149 174.600 0.208 0.000 0.998 64 S CA 1.475 59.828 58.200 0.255 0.000 0.957 64 S CB -0.184 63.207 63.200 0.318 0.000 0.764 64 S HN 0.772 nan 8.310 nan 0.000 0.514 65 V N 1.657 121.680 119.914 0.182 0.000 2.867 65 V HA -0.135 3.972 4.120 -0.023 0.000 0.260 65 V C 2.128 178.323 176.094 0.167 0.000 1.099 65 V CA 1.458 63.839 62.300 0.135 0.000 1.122 65 V CB -0.853 31.072 31.823 0.170 0.000 0.708 65 V HN 0.445 nan 8.190 nan 0.000 0.490 66 S N -0.095 115.744 115.700 0.232 0.000 2.400 66 S HA -0.221 4.235 4.470 -0.023 0.000 0.232 66 S C 1.897 176.656 174.600 0.264 0.000 1.025 66 S CA 1.266 59.645 58.200 0.298 0.000 0.993 66 S CB -0.276 63.038 63.200 0.190 0.000 0.808 66 S HN 0.646 nan 8.310 nan 0.000 0.478 67 K N 1.007 121.512 120.400 0.176 0.000 2.280 67 K HA -0.089 4.217 4.320 -0.023 0.000 0.202 67 K C 2.386 179.015 176.600 0.049 0.000 1.047 67 K CA 1.536 57.908 56.287 0.142 0.000 0.942 67 K CB -0.434 32.166 32.500 0.166 0.000 0.739 67 K HN 0.620 nan 8.250 nan 0.000 0.457 68 T N -1.375 113.105 114.554 -0.125 0.000 2.904 68 T HA -0.077 4.259 4.350 -0.023 0.000 0.267 68 T C 1.719 176.410 174.700 -0.014 0.000 1.059 68 T CA 0.683 62.527 62.100 -0.427 0.000 1.137 68 T CB -0.321 67.862 68.868 -1.142 0.000 0.879 68 T HN -0.002 nan 8.240 nan 0.000 0.467 69 F N 2.304 122.303 119.950 0.081 0.000 2.146 69 F HA 0.034 4.547 4.527 -0.023 0.000 0.298 69 F C 2.997 178.854 175.800 0.095 0.000 1.096 69 F CA 1.371 59.380 58.000 0.015 0.000 1.275 69 F CB -1.172 37.715 39.000 -0.189 0.000 1.008 69 F HN 0.135 nan 8.300 nan 0.000 0.480 70 T N -0.573 114.179 114.554 0.331 0.000 2.746 70 T HA -0.149 4.187 4.350 -0.023 0.000 0.267 70 T C 2.363 177.255 174.700 0.320 0.000 1.039 70 T CA 1.450 63.759 62.100 0.349 0.000 1.142 70 T CB -1.068 68.007 68.868 0.344 0.000 0.866 70 T HN 0.437 nan 8.240 nan 0.000 0.444 71 G N 0.929 109.889 108.800 0.267 0.000 2.418 71 G HA2 -0.169 3.777 3.960 -0.023 0.000 0.217 71 G HA3 -0.169 3.777 3.960 -0.023 0.000 0.217 71 G C 1.703 176.771 174.900 0.280 0.000 1.158 71 G CA 0.839 46.098 45.100 0.265 0.000 0.771 71 G HN 0.437 nan 8.290 nan 0.000 0.545 72 V N 0.639 120.725 119.914 0.287 0.000 2.358 72 V HA -0.101 4.006 4.120 -0.023 0.000 0.246 72 V C 2.665 178.882 176.094 0.205 0.000 1.047 72 V CA 1.541 64.018 62.300 0.295 0.000 1.035 72 V CB -0.356 31.743 31.823 0.460 0.000 0.658 72 V HN 0.353 nan 8.190 nan 0.000 0.452 73 L N 1.374 122.689 121.223 0.154 0.000 2.083 73 L HA -0.030 4.296 4.340 -0.023 0.000 0.209 73 L C 2.288 179.162 176.870 0.007 0.000 1.083 73 L CA 2.419 57.264 54.840 0.008 0.000 0.752 73 L CB -1.234 40.741 42.059 -0.139 0.000 0.899 73 L HN 0.262 nan 8.230 nan 0.000 0.433 74 G N -1.131 107.727 108.800 0.097 0.000 2.402 74 G HA2 -0.184 3.762 3.960 -0.023 0.000 0.216 74 G HA3 -0.184 3.762 3.960 -0.023 0.000 0.216 74 G C 1.522 176.514 174.900 0.154 0.000 1.162 74 G CA 0.516 45.670 45.100 0.091 0.000 0.777 74 G HN 0.584 nan 8.290 nan 0.000 0.539 75 G N 0.636 109.550 108.800 0.190 0.000 2.422 75 G HA2 -0.235 3.712 3.960 -0.023 0.000 0.218 75 G HA3 -0.235 3.712 3.960 -0.023 0.000 0.218 75 G C 1.435 176.391 174.900 0.092 0.000 1.146 75 G CA 1.363 46.555 45.100 0.153 0.000 0.769 75 G HN 0.512 nan 8.290 nan 0.000 0.547 76 D N 0.495 120.936 120.400 0.068 0.000 2.144 76 D HA 0.038 4.664 4.640 -0.023 0.000 0.199 76 D C 2.634 178.934 176.300 -0.001 0.000 0.984 76 D CA 1.389 55.406 54.000 0.028 0.000 0.834 76 D CB -0.237 40.569 40.800 0.010 0.000 0.955 76 D HN 0.246 nan 8.370 nan 0.000 0.465 77 A N -0.069 122.737 122.820 -0.022 0.000 1.930 77 A HA -0.068 4.238 4.320 -0.023 0.000 0.217 77 A C 2.285 179.857 177.584 -0.020 0.000 1.175 77 A CA 0.974 52.979 52.037 -0.054 0.000 0.627 77 A CB -0.672 18.255 19.000 -0.122 0.000 0.815 77 A HN 0.379 nan 8.150 nan 0.000 0.443 78 I N -0.235 120.346 120.570 0.018 0.000 2.202 78 I HA -0.237 3.919 4.170 -0.023 0.000 0.242 78 I C 2.943 179.081 176.117 0.035 0.000 1.091 78 I CA 1.037 62.362 61.300 0.041 0.000 1.368 78 I CB -0.354 37.693 38.000 0.078 0.000 1.058 78 I HN 0.320 nan 8.210 nan 0.000 0.410 79 A N 0.796 123.636 122.820 0.034 0.000 1.978 79 A HA -0.196 4.111 4.320 -0.023 0.000 0.220 79 A C 2.316 179.908 177.584 0.014 0.000 1.170 79 A CA 1.493 53.545 52.037 0.026 0.000 0.636 79 A CB -0.598 18.418 19.000 0.027 0.000 0.810 79 A HN 0.349 nan 8.150 nan 0.000 0.448 80 R N -1.461 119.042 120.500 0.004 0.000 2.307 80 R HA 0.137 4.464 4.340 -0.023 0.000 0.199 80 R C 1.308 177.609 176.300 0.002 0.000 1.000 80 R CA 0.532 56.630 56.100 -0.004 0.000 1.023 80 R CB -0.215 30.073 30.300 -0.020 0.000 0.908 80 R HN 0.710 nan 8.270 nan 0.000 0.473 81 G N 1.091 109.898 108.800 0.012 0.000 2.143 81 G HA2 -0.311 3.636 3.960 -0.023 0.000 0.248 81 G HA3 -0.311 3.636 3.960 -0.023 0.000 0.248 81 G C 0.479 175.395 174.900 0.026 0.000 0.991 81 G CA 0.566 45.679 45.100 0.022 0.000 0.689 81 G HN 0.461 nan 8.290 nan 0.000 0.522 82 E N -0.690 119.515 120.200 0.009 0.000 2.170 82 E HA 0.275 4.611 4.350 -0.023 0.000 0.191 82 E C 1.522 178.138 176.600 0.026 0.000 0.981 82 E CA 1.112 57.516 56.400 0.007 0.000 0.830 82 E CB 0.241 29.916 29.700 -0.042 0.000 0.775 82 E HN 0.911 nan 8.360 nan 0.000 0.470 83 I N -2.939 117.632 120.570 0.001 0.000 3.191 83 I HA 0.506 4.662 4.170 -0.023 0.000 0.313 83 I C -1.378 174.787 176.117 0.079 0.000 1.193 83 I CA -1.251 60.061 61.300 0.020 0.000 0.968 83 I CB 2.300 40.167 38.000 -0.222 0.000 1.262 83 I HN -0.369 nan 8.210 nan 0.000 0.456 84 K N 2.069 122.550 120.400 0.135 0.000 2.468 84 K HA 0.483 4.789 4.320 -0.023 0.000 0.252 84 K C -0.023 176.657 176.600 0.133 0.000 0.932 84 K CA -0.753 55.606 56.287 0.119 0.000 0.794 84 K CB 2.885 35.453 32.500 0.113 0.000 1.241 84 K HN 0.629 nan 8.250 nan 0.000 0.428 85 L N 1.044 122.326 121.223 0.099 0.000 2.353 85 L HA -0.165 4.162 4.340 -0.023 0.000 0.220 85 L C 1.927 178.825 176.870 0.045 0.000 1.133 85 L CA 1.330 56.208 54.840 0.064 0.000 0.798 85 L CB -0.267 41.779 42.059 -0.022 0.000 0.922 85 L HN 0.673 nan 8.230 nan 0.000 0.445 86 S N -2.908 112.830 115.700 0.063 0.000 2.558 86 S HA 0.021 4.477 4.470 -0.023 0.000 0.217 86 S C 0.576 175.233 174.600 0.095 0.000 0.975 86 S CA -0.402 57.831 58.200 0.056 0.000 0.912 86 S CB -0.297 62.934 63.200 0.052 0.000 0.776 86 S HN 0.210 nan 8.310 nan 0.000 0.526 87 D N 4.052 124.538 120.400 0.144 0.000 2.414 87 D HA 0.291 4.917 4.640 -0.023 0.000 0.242 87 D C -2.572 173.841 176.300 0.189 0.000 1.129 87 D CA -1.347 52.760 54.000 0.179 0.000 0.885 87 D CB 0.653 41.654 40.800 0.334 0.000 1.198 87 D HN 0.181 nan 8.370 nan 0.000 0.437 88 P HA 0.083 nan 4.420 nan 0.000 0.275 88 P C 0.762 178.189 177.300 0.212 0.000 1.228 88 P CA -0.201 63.005 63.100 0.177 0.000 0.786 88 P CB 0.667 32.444 31.700 0.128 0.000 0.927 89 T N 0.315 115.034 114.554 0.274 0.000 2.759 89 T HA -0.169 4.167 4.350 -0.023 0.000 0.269 89 T C 1.661 176.471 174.700 0.184 0.000 1.042 89 T CA 2.370 64.631 62.100 0.269 0.000 1.140 89 T CB -1.042 68.013 68.868 0.311 0.000 0.864 89 T HN 0.626 nan 8.240 nan 0.000 0.455 90 T N 0.334 114.964 114.554 0.125 0.000 2.977 90 T HA -0.023 4.313 4.350 -0.023 0.000 0.271 90 T C 1.747 176.447 174.700 -0.000 0.000 1.105 90 T CA 1.085 63.213 62.100 0.048 0.000 1.116 90 T CB -0.254 68.636 68.868 0.035 0.000 0.878 90 T HN 0.413 nan 8.240 nan 0.000 0.509 91 K N 0.203 120.559 120.400 -0.073 0.000 2.097 91 K HA -0.093 4.213 4.320 -0.023 0.000 0.206 91 K C 1.208 177.533 176.600 -0.459 0.000 1.049 91 K CA 1.251 57.352 56.287 -0.309 0.000 0.933 91 K CB -0.202 32.001 32.500 -0.496 0.000 0.717 91 K HN 0.569 nan 8.250 nan 0.000 0.442 92 Y N -2.482 117.852 120.300 0.056 0.000 2.449 92 Y HA 0.096 4.632 4.550 -0.023 0.000 0.254 92 Y C 0.167 176.113 175.900 0.075 0.000 1.140 92 Y CA -0.588 57.529 58.100 0.028 0.000 1.272 92 Y CB 0.615 39.062 38.460 -0.023 0.000 1.114 92 Y HN 0.135 nan 8.280 nan 0.000 0.525 93 W N 1.907 123.191 121.300 -0.026 0.000 1.949 93 W HA 0.399 5.045 4.660 -0.023 0.000 0.299 93 W C -2.572 173.886 176.519 -0.102 0.000 0.959 93 W CA -3.669 53.627 57.345 -0.083 0.000 1.665 93 W CB 0.808 30.169 29.460 -0.165 0.000 1.829 93 W HN -0.093 nan 8.180 nan 0.000 0.375 94 P HA -0.245 nan 4.420 nan 0.000 0.217 94 P C 1.200 178.458 177.300 -0.070 0.000 1.148 94 P CA 2.078 65.189 63.100 0.020 0.000 0.834 94 P CB 0.502 32.221 31.700 0.032 0.000 0.783 95 E N -1.162 118.977 120.200 -0.103 0.000 2.333 95 E HA -0.086 4.250 4.350 -0.023 0.000 0.198 95 E C 0.668 176.999 176.600 -0.449 0.000 1.007 95 E CA 0.393 56.651 56.400 -0.236 0.000 0.845 95 E CB -0.882 28.710 29.700 -0.180 0.000 0.766 95 E HN 0.162 nan 8.360 nan 0.000 0.507 96 L N 1.800 122.644 121.223 -0.631 0.000 2.391 96 L HA 0.082 4.408 4.340 -0.023 0.000 0.249 96 L C 0.896 177.581 176.870 -0.309 0.000 1.308 96 L CA 0.375 54.799 54.840 -0.694 0.000 1.209 96 L CB -0.489 40.981 42.059 -0.981 0.000 1.401 96 L HN 0.060 nan 8.230 nan 0.000 0.416 97 T N -1.221 113.222 114.554 -0.185 0.000 3.081 97 T HA 0.253 4.590 4.350 -0.023 0.000 0.255 97 T C 0.959 175.674 174.700 0.026 0.000 1.113 97 T CA 0.242 62.308 62.100 -0.057 0.000 1.082 97 T CB -0.088 68.749 68.868 -0.051 0.000 0.939 97 T HN 0.499 nan 8.240 nan 0.000 0.506 98 A N 1.393 124.257 122.820 0.073 0.000 2.546 98 A HA 0.536 4.843 4.320 -0.023 0.000 0.243 98 A C 1.797 179.499 177.584 0.196 0.000 1.063 98 A CA 0.283 52.411 52.037 0.151 0.000 0.757 98 A CB -0.118 19.022 19.000 0.232 0.000 0.991 98 A HN 0.603 nan 8.150 nan 0.000 0.503 99 K N 1.863 122.318 120.400 0.093 0.000 2.211 99 K HA -0.189 4.117 4.320 -0.023 0.000 0.204 99 K C 1.768 178.388 176.600 0.033 0.000 1.047 99 K CA 1.976 58.300 56.287 0.061 0.000 0.935 99 K CB -0.705 31.804 32.500 0.015 0.000 0.728 99 K HN 0.981 nan 8.250 nan 0.000 0.452 100 Q N -1.408 118.373 119.800 -0.032 0.000 2.364 100 Q HA -0.148 4.179 4.340 -0.023 0.000 0.207 100 Q C 1.434 177.305 176.000 -0.216 0.000 0.970 100 Q CA 1.226 56.908 55.803 -0.201 0.000 0.888 100 Q CB -0.489 27.997 28.738 -0.419 0.000 0.951 100 Q HN 0.825 nan 8.270 nan 0.000 0.469 101 W N 1.859 123.200 121.300 0.069 0.000 2.905 101 W HA 0.156 4.802 4.660 -0.024 0.000 0.251 101 W C 0.265 176.845 176.519 0.102 0.000 1.305 101 W CA -0.485 56.933 57.345 0.122 0.000 1.465 101 W CB 0.130 29.648 29.460 0.097 0.000 1.122 101 W HN -0.019 nan 8.180 nan 0.000 0.659 102 N N 0.936 119.765 118.700 0.214 0.000 2.440 102 N HA 0.162 4.888 4.740 -0.023 0.000 0.265 102 N C 1.102 176.697 175.510 0.143 0.000 1.239 102 N CA 1.686 54.832 53.050 0.160 0.000 0.909 102 N CB 0.713 39.260 38.487 0.100 0.000 1.066 102 N HN 0.274 nan 8.380 nan 0.000 0.474 103 G N 1.954 110.860 108.800 0.178 0.000 2.194 103 G HA2 -0.245 3.702 3.960 -0.023 0.000 0.236 103 G HA3 -0.245 3.702 3.960 -0.023 0.000 0.236 103 G C 0.118 175.190 174.900 0.286 0.000 0.987 103 G CA -0.453 44.763 45.100 0.193 0.000 0.635 103 G HN 0.555 nan 8.290 nan 0.000 0.520 104 I N 3.104 123.865 120.570 0.317 0.000 2.297 104 I HA 0.370 4.526 4.170 -0.023 0.000 0.291 104 I C 1.204 177.606 176.117 0.476 0.000 1.033 104 I CA 0.118 61.684 61.300 0.443 0.000 1.253 104 I CB 1.058 39.267 38.000 0.348 0.000 1.396 104 I HN 0.307 nan 8.210 nan 0.000 0.476 105 T N 3.056 117.900 114.554 0.484 0.000 2.897 105 T HA 0.431 4.767 4.350 -0.023 0.000 0.278 105 T C 1.232 176.054 174.700 0.202 0.000 0.981 105 T CA -0.827 61.410 62.100 0.227 0.000 0.973 105 T CB 1.450 70.329 68.868 0.018 0.000 1.092 105 T HN 0.415 nan 8.240 nan 0.000 0.543 106 L N 0.329 121.666 121.223 0.189 0.000 2.131 106 L HA -0.000 4.326 4.340 -0.023 0.000 0.210 106 L C 2.534 179.421 176.870 0.029 0.000 1.092 106 L CA 0.835 55.815 54.840 0.233 0.000 0.759 106 L CB -0.747 41.506 42.059 0.323 0.000 0.903 106 L HN 0.619 nan 8.230 nan 0.000 0.435 107 L N -0.349 120.825 121.223 -0.082 0.000 2.012 107 L HA -0.256 4.070 4.340 -0.023 0.000 0.210 107 L C 2.389 179.202 176.870 -0.095 0.000 1.073 107 L CA 1.962 56.678 54.840 -0.207 0.000 0.748 107 L CB -0.624 41.314 42.059 -0.202 0.000 0.891 107 L HN 0.231 nan 8.230 nan 0.000 0.431 108 H N -1.020 118.120 119.070 0.117 0.000 2.352 108 H HA -0.153 4.389 4.556 -0.023 0.000 0.299 108 H C 2.241 177.572 175.328 0.006 0.000 1.097 108 H CA 1.696 57.807 56.048 0.105 0.000 1.311 108 H CB -0.156 29.691 29.762 0.143 0.000 1.377 108 H HN 0.327 nan 8.280 nan 0.000 0.504 109 L N 0.123 121.431 121.223 0.142 0.000 1.994 109 L HA -0.183 4.143 4.340 -0.023 0.000 0.208 109 L C 2.868 179.658 176.870 -0.133 0.000 1.071 109 L CA 0.898 55.788 54.840 0.084 0.000 0.745 109 L CB -0.574 41.604 42.059 0.198 0.000 0.892 109 L HN 0.354 nan 8.230 nan 0.000 0.431 110 A N -0.169 122.396 122.820 -0.424 0.000 1.978 110 A HA -0.188 4.119 4.320 -0.023 0.000 0.220 110 A C 2.074 179.242 177.584 -0.693 0.000 1.170 110 A CA 2.191 53.733 52.037 -0.825 0.000 0.636 110 A CB -0.763 17.326 19.000 -1.519 0.000 0.810 110 A HN 0.547 nan 8.150 nan 0.000 0.448 111 T N -6.329 107.931 114.554 -0.491 0.000 3.134 111 T HA 0.331 4.667 4.350 -0.023 0.000 0.260 111 T C 0.235 174.685 174.700 -0.416 0.000 1.027 111 T CA 0.192 62.017 62.100 -0.457 0.000 0.913 111 T CB -0.516 68.394 68.868 0.071 0.000 1.046 111 T HN 0.665 nan 8.240 nan 0.000 0.553 112 Y N 0.849 121.139 120.300 -0.015 0.000 4.409 112 Y HA -0.258 4.278 4.550 -0.023 0.000 0.228 112 Y C 1.245 177.122 175.900 -0.039 0.000 1.108 112 Y CA 0.534 58.628 58.100 -0.010 0.000 1.955 112 Y CB -3.163 35.309 38.460 0.020 0.000 1.615 112 Y HN 0.617 nan 8.280 nan 0.000 0.665 113 T N -4.297 110.252 114.554 -0.008 0.000 3.215 113 T HA 0.685 5.022 4.350 -0.023 0.000 0.271 113 T C 1.466 176.134 174.700 -0.053 0.000 1.012 113 T CA 0.179 62.194 62.100 -0.142 0.000 0.899 113 T CB 0.523 69.035 68.868 -0.593 0.000 1.089 113 T HN 0.493 nan 8.240 nan 0.000 0.552 114 A N 1.276 124.131 122.820 0.058 0.000 2.121 114 A HA 0.545 4.851 4.320 -0.023 0.000 0.218 114 A C 1.923 179.574 177.584 0.112 0.000 1.154 114 A CA 0.640 52.701 52.037 0.040 0.000 0.679 114 A CB -0.851 18.161 19.000 0.021 0.000 0.795 114 A HN 1.476 nan 8.150 nan 0.000 0.458 115 G N -3.291 105.644 108.800 0.224 0.000 2.157 115 G HA2 0.384 4.331 3.960 -0.023 0.000 0.118 115 G HA3 0.384 4.331 3.960 -0.023 0.000 0.118 115 G C 1.002 176.073 174.900 0.284 0.000 1.032 115 G CA 0.373 45.667 45.100 0.324 0.000 0.697 115 G HN 1.993 nan 8.290 nan 0.000 0.495 116 G N -0.938 108.071 108.800 0.349 0.000 2.141 116 G HA2 -0.074 3.872 3.960 -0.023 0.000 0.164 116 G HA3 -0.074 3.872 3.960 -0.023 0.000 0.164 116 G C 0.399 175.473 174.900 0.290 0.000 1.009 116 G CA -0.045 45.126 45.100 0.117 0.000 0.677 116 G HN 1.192 nan 8.290 nan 0.000 0.508 117 L N 2.192 123.464 121.223 0.082 0.000 2.490 117 L HA 0.259 4.586 4.340 -0.023 0.000 0.274 117 L C -0.799 176.081 176.870 0.017 0.000 1.201 117 L CA -1.276 53.393 54.840 -0.285 0.000 0.869 117 L CB 0.419 42.256 42.059 -0.371 0.000 1.123 117 L HN 0.096 nan 8.230 nan 0.000 0.484 118 P HA -0.061 nan 4.420 nan 0.000 0.272 118 P C 0.541 177.908 177.300 0.111 0.000 1.223 118 P CA -0.458 62.724 63.100 0.136 0.000 0.784 118 P CB 1.047 32.871 31.700 0.206 0.000 0.923 119 L N 1.894 123.174 121.223 0.096 0.000 2.013 119 L HA -0.167 4.160 4.340 -0.023 0.000 0.212 119 L C 0.838 177.744 176.870 0.059 0.000 1.073 119 L CA 2.154 57.038 54.840 0.073 0.000 0.753 119 L CB -0.871 41.240 42.059 0.086 0.000 0.890 119 L HN 0.473 nan 8.230 nan 0.000 0.432 120 Q N -1.390 118.441 119.800 0.052 0.000 2.377 120 Q HA 0.530 4.856 4.340 -0.023 0.000 0.271 120 Q C -0.931 175.040 176.000 -0.048 0.000 1.077 120 Q CA -0.839 54.976 55.803 0.020 0.000 0.820 120 Q CB 2.429 31.166 28.738 -0.001 0.000 1.347 120 Q HN -0.075 nan 8.270 nan 0.000 0.444 121 V N 3.019 122.862 119.914 -0.118 0.000 2.555 121 V HA 0.203 4.309 4.120 -0.023 0.000 0.286 121 V C -2.041 173.833 176.094 -0.366 0.000 1.044 121 V CA -1.465 60.578 62.300 -0.429 0.000 1.026 121 V CB 0.449 32.068 31.823 -0.340 0.000 0.981 121 V HN 0.673 nan 8.190 nan 0.000 0.480 122 P HA -0.027 nan 4.420 nan 0.000 0.263 122 P C 0.490 177.689 177.300 -0.168 0.000 1.175 122 P CA 0.284 63.234 63.100 -0.250 0.000 0.761 122 P CB 0.420 31.980 31.700 -0.234 0.000 0.794 123 D N 2.553 122.902 120.400 -0.085 0.000 2.309 123 D HA -0.158 4.468 4.640 -0.023 0.000 0.212 123 D C 1.998 178.272 176.300 -0.042 0.000 0.968 123 D CA 1.601 55.573 54.000 -0.046 0.000 0.882 123 D CB 0.118 40.907 40.800 -0.019 0.000 0.918 123 D HN 0.496 nan 8.370 nan 0.000 0.503 124 E N -0.336 119.833 120.200 -0.052 0.000 2.150 124 E HA -0.014 4.322 4.350 -0.023 0.000 0.193 124 E C 1.198 177.775 176.600 -0.037 0.000 0.985 124 E CA 0.617 56.998 56.400 -0.032 0.000 0.814 124 E CB -0.705 28.983 29.700 -0.020 0.000 0.752 124 E HN 0.165 nan 8.360 nan 0.000 0.466 125 V N 1.423 121.289 119.914 -0.080 0.000 2.434 125 V HA 0.421 4.527 4.120 -0.023 0.000 0.281 125 V C 1.263 177.335 176.094 -0.037 0.000 1.005 125 V CA 1.294 63.552 62.300 -0.070 0.000 1.089 125 V CB 0.245 31.972 31.823 -0.160 0.000 0.978 125 V HN 0.602 nan 8.190 nan 0.000 0.474 126 K N 2.672 123.068 120.400 -0.007 0.000 2.564 126 K HA 0.568 4.874 4.320 -0.023 0.000 0.201 126 K C 0.329 176.936 176.600 0.012 0.000 1.086 126 K CA 0.438 56.725 56.287 0.000 0.000 1.062 126 K CB 0.912 33.414 32.500 0.003 0.000 0.849 126 K HN 0.888 nan 8.250 nan 0.000 0.529 127 S N -2.472 113.243 115.700 0.025 0.000 2.672 127 S HA 0.447 4.903 4.470 -0.023 0.000 0.271 127 S C 0.806 175.443 174.600 0.061 0.000 1.171 127 S CA 0.334 58.556 58.200 0.035 0.000 0.817 127 S CB 1.326 64.548 63.200 0.037 0.000 1.150 127 S HN 0.054 nan 8.310 nan 0.000 0.478 128 S N 1.479 117.218 115.700 0.065 0.000 2.368 128 S HA -0.085 4.371 4.470 -0.023 0.000 0.224 128 S C 2.156 176.851 174.600 0.159 0.000 1.029 128 S CA 1.643 59.904 58.200 0.101 0.000 0.988 128 S CB -0.747 62.498 63.200 0.076 0.000 0.838 128 S HN 1.006 nan 8.310 nan 0.000 0.462 129 S N 1.999 117.771 115.700 0.120 0.000 2.423 129 S HA -0.113 4.343 4.470 -0.023 0.000 0.231 129 S C 1.180 175.859 174.600 0.132 0.000 1.014 129 S CA 1.154 59.427 58.200 0.122 0.000 0.965 129 S CB -0.488 62.761 63.200 0.082 0.000 0.785 129 S HN 0.302 nan 8.310 nan 0.000 0.495 130 D N 1.456 121.926 120.400 0.117 0.000 2.144 130 D HA 0.033 4.659 4.640 -0.023 0.000 0.200 130 D C 1.772 178.177 176.300 0.175 0.000 0.978 130 D CA 0.636 54.704 54.000 0.113 0.000 0.833 130 D CB -0.435 40.406 40.800 0.067 0.000 0.961 130 D HN 0.327 nan 8.370 nan 0.000 0.470 131 L N 0.214 121.571 121.223 0.222 0.000 2.072 131 L HA -0.023 4.303 4.340 -0.023 0.000 0.205 131 L C 1.962 179.159 176.870 0.545 0.000 1.079 131 L CA 0.990 56.048 54.840 0.364 0.000 0.752 131 L CB -0.496 41.780 42.059 0.362 0.000 0.906 131 L HN 0.019 nan 8.230 nan 0.000 0.436 132 L N -0.345 121.154 121.223 0.459 0.000 2.012 132 L HA -0.220 4.106 4.340 -0.023 0.000 0.210 132 L C 2.679 179.618 176.870 0.116 0.000 1.073 132 L CA 1.813 56.809 54.840 0.260 0.000 0.748 132 L CB -0.678 41.484 42.059 0.172 0.000 0.891 132 L HN 0.211 nan 8.230 nan 0.000 0.431 133 R N -1.694 118.894 120.500 0.146 0.000 2.091 133 R HA -0.222 4.104 4.340 -0.023 0.000 0.238 133 R C 2.260 178.654 176.300 0.156 0.000 1.136 133 R CA 1.901 58.071 56.100 0.116 0.000 0.959 133 R CB -0.591 29.776 30.300 0.112 0.000 0.856 133 R HN 0.469 nan 8.270 nan 0.000 0.437 134 F N 0.005 119.981 119.950 0.044 0.000 2.069 134 F HA -0.270 4.245 4.527 -0.021 0.000 0.298 134 F C 1.504 177.323 175.800 0.032 0.000 1.113 134 F CA 1.567 59.554 58.000 -0.022 0.000 1.214 134 F CB -0.539 38.362 39.000 -0.163 0.000 0.978 134 F HN 0.001 nan 8.300 nan 0.000 0.474 135 Y N 0.370 120.636 120.300 -0.056 0.000 2.314 135 Y HA -0.131 4.405 4.550 -0.023 0.000 0.293 135 Y C 2.637 178.675 175.900 0.229 0.000 1.129 135 Y CA 1.380 59.467 58.100 -0.020 0.000 1.201 135 Y CB -0.857 37.575 38.460 -0.046 0.000 0.999 135 Y HN 0.129 nan 8.280 nan 0.000 0.541 136 Q N 0.148 120.048 119.800 0.167 0.000 2.119 136 Q HA -0.160 4.167 4.340 -0.023 0.000 0.201 136 Q C 1.307 177.422 176.000 0.191 0.000 0.972 136 Q CA 1.472 57.366 55.803 0.152 0.000 0.847 136 Q CB -0.517 28.220 28.738 -0.003 0.000 0.903 136 Q HN 0.658 nan 8.270 nan 0.000 0.433 137 N N -0.777 117.997 118.700 0.123 0.000 2.412 137 N HA -0.051 4.675 4.740 -0.023 0.000 0.184 137 N C -0.085 175.454 175.510 0.049 0.000 1.101 137 N CA -0.399 52.692 53.050 0.068 0.000 0.881 137 N CB 0.114 38.636 38.487 0.058 0.000 0.969 137 N HN 0.168 nan 8.380 nan 0.000 0.459 138 W N 2.916 124.142 121.300 -0.123 0.000 2.308 138 W HA 0.073 4.720 4.660 -0.023 0.000 0.324 138 W C -0.576 175.838 176.519 -0.174 0.000 1.387 138 W CA -0.168 57.056 57.345 -0.201 0.000 1.250 138 W CB 0.528 29.815 29.460 -0.289 0.000 1.257 138 W HN -0.076 nan 8.180 nan 0.000 0.554 139 Q N 8.843 128.099 119.800 -0.906 0.000 2.347 139 Q HA 0.309 4.635 4.340 -0.023 0.000 0.262 139 Q C -1.987 173.171 176.000 -1.404 0.000 0.980 139 Q CA -2.074 53.133 55.803 -0.994 0.000 0.867 139 Q CB 1.160 29.592 28.738 -0.509 0.000 1.242 139 Q HN 0.401 nan 8.270 nan 0.000 0.453 140 P HA 0.100 nan 4.420 nan 0.000 0.272 140 P C -0.317 176.545 177.300 -0.729 0.000 1.223 140 P CA 0.014 62.397 63.100 -1.196 0.000 0.784 140 P CB 1.077 32.177 31.700 -1.001 0.000 0.923 141 A N 1.838 124.192 122.820 -0.776 0.000 2.063 141 A HA 0.173 4.479 4.320 -0.023 0.000 0.211 141 A C 0.305 177.438 177.584 -0.752 0.000 1.177 141 A CA 0.429 51.925 52.037 -0.902 0.000 0.759 141 A CB -0.087 18.063 19.000 -1.417 0.000 0.857 141 A HN 0.565 nan 8.150 nan 0.000 0.468 142 W N -1.910 119.335 121.300 -0.092 0.000 2.975 142 W HA 0.709 5.356 4.660 -0.023 0.000 0.342 142 W C 0.142 176.600 176.519 -0.102 0.000 1.168 142 W CA -1.474 55.822 57.345 -0.080 0.000 1.141 142 W CB 0.848 30.276 29.460 -0.054 0.000 1.445 142 W HN 0.156 nan 8.180 nan 0.000 0.560 143 A N 3.523 126.429 122.820 0.143 0.000 2.406 143 A HA 0.470 4.776 4.320 -0.023 0.000 0.243 143 A C -1.968 175.623 177.584 0.012 0.000 1.082 143 A CA -0.832 51.226 52.037 0.036 0.000 0.786 143 A CB -0.767 18.254 19.000 0.035 0.000 1.029 143 A HN 0.225 nan 8.150 nan 0.000 0.495 144 P HA 0.249 nan 4.420 nan 0.000 0.271 144 P C 0.659 177.810 177.300 -0.250 0.000 1.218 144 P CA 1.304 64.222 63.100 -0.302 0.000 0.780 144 P CB 0.768 32.168 31.700 -0.501 0.000 0.901 145 G N 1.766 110.376 108.800 -0.317 0.000 2.160 145 G HA2 -0.264 3.682 3.960 -0.023 0.000 0.251 145 G HA3 -0.264 3.682 3.960 -0.023 0.000 0.251 145 G C 0.608 175.467 174.900 -0.067 0.000 1.008 145 G CA 0.746 45.819 45.100 -0.045 0.000 0.724 145 G HN 0.766 nan 8.290 nan 0.000 0.514 146 T N -4.607 109.869 114.554 -0.130 0.000 3.019 146 T HA 0.453 4.789 4.350 -0.023 0.000 0.247 146 T C 0.685 175.255 174.700 -0.217 0.000 0.992 146 T CA 0.898 62.941 62.100 -0.095 0.000 1.036 146 T CB 0.598 69.446 68.868 -0.033 0.000 1.063 146 T HN 0.446 nan 8.240 nan 0.000 0.476 147 Q N 0.468 120.104 119.800 -0.273 0.000 2.389 147 Q HA 0.509 4.835 4.340 -0.023 0.000 0.277 147 Q C -1.450 174.396 176.000 -0.257 0.000 1.082 147 Q CA -0.818 54.742 55.803 -0.405 0.000 0.810 147 Q CB 3.292 31.460 28.738 -0.949 0.000 1.374 147 Q HN 0.239 nan 8.270 nan 0.000 0.422 148 R N 2.064 122.436 120.500 -0.212 0.000 2.346 148 R HA 0.557 4.883 4.340 -0.023 0.000 0.311 148 R C -1.562 174.765 176.300 0.045 0.000 0.983 148 R CA -0.529 55.540 56.100 -0.051 0.000 0.880 148 R CB 0.670 30.962 30.300 -0.014 0.000 1.100 148 R HN 0.480 nan 8.270 nan 0.000 0.453 149 L N 5.666 126.993 121.223 0.174 0.000 2.504 149 L HA 0.255 4.581 4.340 -0.023 0.000 0.265 149 L C -1.430 175.511 176.870 0.117 0.000 0.975 149 L CA -0.621 54.334 54.840 0.193 0.000 0.864 149 L CB 1.069 43.342 42.059 0.356 0.000 1.212 149 L HN 0.648 nan 8.230 nan 0.000 0.416 150 Y N 4.499 124.682 120.300 -0.195 0.000 2.895 150 Y HA 0.304 4.840 4.550 -0.024 0.000 0.334 150 Y C 0.204 175.923 175.900 -0.302 0.000 1.261 150 Y CA 1.160 58.904 58.100 -0.593 0.000 1.560 150 Y CB 0.470 38.676 38.460 -0.423 0.000 1.253 150 Y HN 0.831 nan 8.280 nan 0.000 0.582 151 A N 5.517 127.961 122.820 -0.627 0.000 2.491 151 A HA 0.282 4.588 4.320 -0.023 0.000 0.293 151 A C -0.141 177.379 177.584 -0.107 0.000 1.047 151 A CA -0.904 51.023 52.037 -0.183 0.000 0.735 151 A CB 0.823 19.848 19.000 0.041 0.000 1.281 151 A HN 0.781 nan 8.150 nan 0.000 0.398 152 N N 1.125 119.797 118.700 -0.047 0.000 2.244 152 N HA -0.142 4.584 4.740 -0.023 0.000 0.183 152 N C 2.035 177.620 175.510 0.125 0.000 1.016 152 N CA 1.910 54.995 53.050 0.059 0.000 0.866 152 N CB -0.100 38.472 38.487 0.141 0.000 0.980 152 N HN 0.844 nan 8.380 nan 0.000 0.430 153 S N -0.977 114.818 115.700 0.158 0.000 2.474 153 S HA 0.019 4.475 4.470 -0.023 0.000 0.235 153 S C 2.038 176.834 174.600 0.327 0.000 0.997 153 S CA 1.013 59.389 58.200 0.294 0.000 0.949 153 S CB -0.072 63.333 63.200 0.342 0.000 0.766 153 S HN 0.190 nan 8.310 nan 0.000 0.517 154 S N 1.159 116.985 115.700 0.211 0.000 2.324 154 S HA 0.251 4.707 4.470 -0.023 0.000 0.210 154 S C 1.642 176.336 174.600 0.157 0.000 1.027 154 S CA 0.519 58.830 58.200 0.184 0.000 0.945 154 S CB -0.566 62.757 63.200 0.204 0.000 0.908 154 S HN 0.573 nan 8.310 nan 0.000 0.496 155 I N 1.221 121.883 120.570 0.152 0.000 2.614 155 I HA 0.006 4.162 4.170 -0.023 0.000 0.258 155 I C 2.049 178.246 176.117 0.133 0.000 1.189 155 I CA 1.071 62.443 61.300 0.119 0.000 1.462 155 I CB -0.563 37.489 38.000 0.087 0.000 1.092 155 I HN 0.478 nan 8.210 nan 0.000 0.442 156 G N 1.036 109.888 108.800 0.085 0.000 2.418 156 G HA2 -0.284 3.662 3.960 -0.023 0.000 0.217 156 G HA3 -0.284 3.662 3.960 -0.023 0.000 0.217 156 G C 1.518 176.379 174.900 -0.065 0.000 1.158 156 G CA 0.774 45.860 45.100 -0.023 0.000 0.771 156 G HN 0.384 nan 8.290 nan 0.000 0.545 157 L N -0.189 121.048 121.223 0.022 0.000 2.093 157 L HA 0.162 4.488 4.340 -0.023 0.000 0.208 157 L C 2.410 179.232 176.870 -0.081 0.000 1.085 157 L CA 1.431 56.215 54.840 -0.093 0.000 0.755 157 L CB -0.768 41.183 42.059 -0.179 0.000 0.904 157 L HN 0.224 nan 8.230 nan 0.000 0.435 158 F N 0.516 120.405 119.950 -0.102 0.000 2.095 158 F HA -0.100 4.413 4.527 -0.023 0.000 0.298 158 F C 2.168 177.909 175.800 -0.098 0.000 1.104 158 F CA 1.855 59.802 58.000 -0.088 0.000 1.232 158 F CB -1.061 37.900 39.000 -0.065 0.000 0.987 158 F HN 0.119 nan 8.300 nan 0.000 0.475 159 G N -0.295 108.382 108.800 -0.204 0.000 2.418 159 G HA2 -0.228 3.718 3.960 -0.023 0.000 0.217 159 G HA3 -0.228 3.718 3.960 -0.023 0.000 0.217 159 G C 1.828 176.573 174.900 -0.258 0.000 1.158 159 G CA 0.976 45.927 45.100 -0.249 0.000 0.771 159 G HN 0.668 nan 8.290 nan 0.000 0.545 160 A N 0.424 123.037 122.820 -0.346 0.000 1.933 160 A HA 0.121 4.427 4.320 -0.023 0.000 0.218 160 A C 2.429 179.837 177.584 -0.292 0.000 1.175 160 A CA 1.302 53.157 52.037 -0.302 0.000 0.628 160 A CB -0.326 18.462 19.000 -0.354 0.000 0.814 160 A HN 0.365 nan 8.150 nan 0.000 0.444 161 L N -1.105 119.912 121.223 -0.343 0.000 2.131 161 L HA -0.048 4.279 4.340 -0.023 0.000 0.206 161 L C 3.011 179.607 176.870 -0.458 0.000 1.087 161 L CA 0.747 55.383 54.840 -0.340 0.000 0.767 161 L CB -0.614 41.302 42.059 -0.239 0.000 0.917 161 L HN 0.394 nan 8.230 nan 0.000 0.441 162 A N 0.553 123.030 122.820 -0.570 0.000 1.986 162 A HA -0.172 4.134 4.320 -0.023 0.000 0.220 162 A C 2.152 179.492 177.584 -0.408 0.000 1.171 162 A CA 2.092 53.755 52.037 -0.622 0.000 0.640 162 A CB -0.799 17.686 19.000 -0.859 0.000 0.811 162 A HN 0.361 nan 8.150 nan 0.000 0.451 163 V N -3.662 116.081 119.914 -0.284 0.000 3.608 163 V HA 0.090 4.196 4.120 -0.023 0.000 0.269 163 V C 1.693 177.686 176.094 -0.167 0.000 1.245 163 V CA 1.137 63.317 62.300 -0.200 0.000 1.138 163 V CB -0.481 31.259 31.823 -0.138 0.000 0.841 163 V HN 0.405 nan 8.190 nan 0.000 0.451 164 K N 1.200 121.489 120.400 -0.184 0.000 2.032 164 K HA -0.094 4.212 4.320 -0.023 0.000 0.209 164 K C 0.015 176.581 176.600 -0.056 0.000 1.048 164 K CA 2.202 58.424 56.287 -0.108 0.000 0.927 164 K CB -1.332 31.124 32.500 -0.073 0.000 0.712 164 K HN 0.472 nan 8.250 nan 0.000 0.441 165 P HA -0.165 nan 4.420 nan 0.000 0.216 165 P C 1.387 178.668 177.300 -0.031 0.000 1.150 165 P CA 1.561 64.662 63.100 0.002 0.000 0.837 165 P CB -0.012 31.697 31.700 0.015 0.000 0.786 166 S N -1.555 114.104 115.700 -0.068 0.000 2.423 166 S HA 0.021 4.477 4.470 -0.023 0.000 0.231 166 S C 1.915 176.478 174.600 -0.060 0.000 1.014 166 S CA 1.159 59.318 58.200 -0.069 0.000 0.965 166 S CB -1.506 61.636 63.200 -0.098 0.000 0.785 166 S HN 0.305 nan 8.310 nan 0.000 0.495 167 G N 0.609 109.373 108.800 -0.059 0.000 2.179 167 G HA2 -0.236 3.711 3.960 -0.023 0.000 0.260 167 G HA3 -0.236 3.711 3.960 -0.023 0.000 0.260 167 G C -0.011 174.852 174.900 -0.061 0.000 0.977 167 G CA 0.427 45.496 45.100 -0.051 0.000 0.641 167 G HN 0.574 nan 8.290 nan 0.000 0.533 168 L N 1.828 123.003 121.223 -0.079 0.000 2.375 168 L HA 0.564 4.891 4.340 -0.023 0.000 0.271 168 L C 1.505 178.322 176.870 -0.089 0.000 1.107 168 L CA -0.196 54.590 54.840 -0.090 0.000 0.806 168 L CB 1.366 43.354 42.059 -0.118 0.000 1.146 168 L HN 0.409 nan 8.230 nan 0.000 0.447 169 S N 0.816 116.470 115.700 -0.078 0.000 2.589 169 S HA 0.034 4.491 4.470 -0.023 0.000 0.265 169 S C 0.864 175.429 174.600 -0.059 0.000 1.342 169 S CA -0.365 57.804 58.200 -0.052 0.000 1.005 169 S CB 0.471 63.646 63.200 -0.041 0.000 0.909 169 S HN 0.542 nan 8.310 nan 0.000 0.555 170 F N 1.157 121.013 119.950 -0.156 0.000 2.126 170 F HA -0.092 4.421 4.527 -0.023 0.000 0.299 170 F C 2.504 178.191 175.800 -0.189 0.000 1.096 170 F CA 2.237 60.128 58.000 -0.181 0.000 1.255 170 F CB -0.421 38.471 39.000 -0.179 0.000 0.997 170 F HN 0.946 nan 8.300 nan 0.000 0.479 171 E N -0.560 119.602 120.200 -0.064 0.000 2.051 171 E HA -0.252 4.084 4.350 -0.023 0.000 0.192 171 E C 2.251 178.705 176.600 -0.243 0.000 0.991 171 E CA 1.200 57.511 56.400 -0.148 0.000 0.799 171 E CB -0.193 29.493 29.700 -0.023 0.000 0.748 171 E HN 0.395 nan 8.360 nan 0.000 0.449 172 Q N -0.002 119.691 119.800 -0.179 0.000 2.084 172 Q HA -0.156 4.170 4.340 -0.023 0.000 0.202 172 Q C 2.106 177.958 176.000 -0.247 0.000 0.978 172 Q CA 1.499 57.200 55.803 -0.171 0.000 0.844 172 Q CB -0.326 28.341 28.738 -0.118 0.000 0.898 172 Q HN 0.389 nan 8.270 nan 0.000 0.426 173 A N 0.451 123.088 122.820 -0.304 0.000 1.877 173 A HA -0.207 4.100 4.320 -0.023 0.000 0.216 173 A C 2.104 179.405 177.584 -0.472 0.000 1.186 173 A CA 1.820 53.650 52.037 -0.346 0.000 0.620 173 A CB -0.496 18.287 19.000 -0.361 0.000 0.822 173 A HN 0.354 nan 8.150 nan 0.000 0.443 174 M N -0.819 118.366 119.600 -0.692 0.000 2.080 174 M HA -0.161 4.305 4.480 -0.023 0.000 0.260 174 M C 2.130 177.851 176.300 -0.966 0.000 1.068 174 M CA 1.812 56.559 55.300 -0.921 0.000 1.109 174 M CB -0.556 31.355 32.600 -1.150 0.000 1.342 174 M HN 0.399 nan 8.290 nan 0.000 0.405 175 Q N -0.567 118.814 119.800 -0.698 0.000 2.050 175 Q HA -0.142 4.184 4.340 -0.023 0.000 0.202 175 Q C 2.142 177.995 176.000 -0.245 0.000 0.980 175 Q CA 2.518 58.085 55.803 -0.394 0.000 0.840 175 Q CB -0.766 27.880 28.738 -0.154 0.000 0.898 175 Q HN 0.789 nan 8.270 nan 0.000 0.424 176 T N -2.231 112.188 114.554 -0.224 0.000 2.942 176 T HA -0.000 4.336 4.350 -0.023 0.000 0.265 176 T C 1.694 176.310 174.700 -0.141 0.000 1.062 176 T CA 0.707 62.718 62.100 -0.148 0.000 1.139 176 T CB -0.025 68.767 68.868 -0.126 0.000 0.883 176 T HN 0.208 nan 8.240 nan 0.000 0.468 177 R N -0.013 120.372 120.500 -0.193 0.000 2.265 177 R HA 0.384 4.710 4.340 -0.023 0.000 0.194 177 R C 1.605 177.841 176.300 -0.106 0.000 0.931 177 R CA 0.230 56.246 56.100 -0.141 0.000 1.032 177 R CB 0.347 30.554 30.300 -0.155 0.000 0.980 177 R HN 0.301 nan 8.270 nan 0.000 0.497 178 V N -0.832 118.980 119.914 -0.171 0.000 3.054 178 V HA 0.021 4.127 4.120 -0.023 0.000 0.227 178 V C 1.415 177.562 176.094 0.088 0.000 1.252 178 V CA 0.490 62.765 62.300 -0.040 0.000 1.279 178 V CB -0.277 31.490 31.823 -0.093 0.000 1.118 178 V HN -0.029 nan 8.190 nan 0.000 0.504 179 F N 1.427 121.295 119.950 -0.138 0.000 2.075 179 F HA -0.155 4.358 4.527 -0.023 0.000 0.297 179 F C 2.606 178.317 175.800 -0.148 0.000 1.113 179 F CA 1.528 59.411 58.000 -0.194 0.000 1.218 179 F CB -1.283 37.514 39.000 -0.339 0.000 0.984 179 F HN 0.181 nan 8.300 nan 0.000 0.472 180 Q N -0.148 119.684 119.800 0.055 0.000 2.030 180 Q HA -0.174 4.152 4.340 -0.023 0.000 0.204 180 Q C -0.283 175.721 176.000 0.007 0.000 0.986 180 Q CA 2.093 57.893 55.803 -0.005 0.000 0.843 180 Q CB -1.484 27.234 28.738 -0.033 0.000 0.904 180 Q HN 0.252 nan 8.270 nan 0.000 0.420 181 P HA -0.158 nan 4.420 nan 0.000 0.218 181 P C 0.568 177.896 177.300 0.047 0.000 1.148 181 P CA 1.209 64.323 63.100 0.025 0.000 0.822 181 P CB 0.058 31.774 31.700 0.026 0.000 0.784 182 L N -1.482 119.793 121.223 0.087 0.000 2.592 182 L HA 0.131 4.457 4.340 -0.023 0.000 0.227 182 L C 0.221 177.133 176.870 0.069 0.000 1.127 182 L CA 0.043 54.949 54.840 0.110 0.000 0.884 182 L CB -0.505 41.689 42.059 0.225 0.000 1.065 182 L HN -0.055 nan 8.230 nan 0.000 0.457 183 K N 0.484 120.900 120.400 0.027 0.000 3.125 183 K HA -0.162 4.144 4.320 -0.023 0.000 0.268 183 K C -0.280 176.293 176.600 -0.045 0.000 1.078 183 K CA 0.705 56.984 56.287 -0.013 0.000 0.775 183 K CB -2.309 30.192 32.500 0.001 0.000 1.253 183 K HN 0.368 nan 8.250 nan 0.000 0.486 184 L N 1.432 122.606 121.223 -0.082 0.000 2.397 184 L HA 0.171 4.497 4.340 -0.023 0.000 0.263 184 L C 1.144 177.766 176.870 -0.414 0.000 1.136 184 L CA -0.401 54.314 54.840 -0.209 0.000 1.019 184 L CB 0.144 42.056 42.059 -0.245 0.000 1.352 184 L HN 0.071 nan 8.230 nan 0.000 0.420 185 N N 0.122 118.604 118.700 -0.363 0.000 2.461 185 N HA -0.024 4.702 4.740 -0.023 0.000 0.188 185 N C 0.252 175.168 175.510 -0.990 0.000 1.134 185 N CA 0.571 53.275 53.050 -0.576 0.000 0.878 185 N CB 0.244 38.493 38.487 -0.397 0.000 0.972 185 N HN 0.579 nan 8.380 nan 0.000 0.456 186 H N -1.244 117.497 119.070 -0.548 0.000 2.676 186 H HA 0.307 4.849 4.556 -0.023 0.000 0.238 186 H C -0.676 174.171 175.328 -0.802 0.000 1.276 186 H CA -0.163 55.609 56.048 -0.460 0.000 0.983 186 H CB 0.480 30.194 29.762 -0.079 0.000 2.000 186 H HN -0.185 nan 8.280 nan 0.000 0.584 187 T N 0.488 114.184 114.554 -1.430 0.000 2.841 187 T HA 0.383 4.719 4.350 -0.023 0.000 0.285 187 T C -1.114 172.556 174.700 -1.716 0.000 0.991 187 T CA -0.662 60.612 62.100 -1.377 0.000 0.966 187 T CB 1.144 69.105 68.868 -1.512 0.000 0.962 187 T HN 0.275 nan 8.240 nan 0.000 0.438 188 W N 2.182 123.133 121.300 -0.582 0.000 3.107 188 W HA 0.566 5.213 4.660 -0.021 0.000 0.331 188 W C 0.370 176.753 176.519 -0.226 0.000 1.204 188 W CA -0.960 56.187 57.345 -0.331 0.000 1.184 188 W CB 0.725 30.009 29.460 -0.292 0.000 1.421 188 W HN 0.317 nan 8.180 nan 0.000 0.544 189 I N 1.431 122.100 120.570 0.164 0.000 2.494 189 I HA 0.004 4.160 4.170 -0.023 0.000 0.250 189 I C 0.112 176.236 176.117 0.013 0.000 1.112 189 I CA 1.044 62.384 61.300 0.068 0.000 1.438 189 I CB -0.636 37.415 38.000 0.086 0.000 1.111 189 I HN 0.382 nan 8.210 nan 0.000 0.431 190 N N 1.235 119.954 118.700 0.032 0.000 2.442 190 N HA 0.227 4.953 4.740 -0.023 0.000 0.274 190 N C -0.677 174.729 175.510 -0.173 0.000 1.002 190 N CA -0.224 52.785 53.050 -0.067 0.000 0.910 190 N CB 3.080 41.535 38.487 -0.053 0.000 1.244 190 N HN -0.238 nan 8.380 nan 0.000 0.492 191 V N 4.694 124.408 119.914 -0.333 0.000 2.485 191 V HA 0.107 4.213 4.120 -0.023 0.000 0.287 191 V C -1.411 174.348 176.094 -0.559 0.000 1.022 191 V CA -0.743 61.194 62.300 -0.605 0.000 1.067 191 V CB 0.118 31.500 31.823 -0.735 0.000 0.967 191 V HN 0.525 nan 8.190 nan 0.000 0.479 192 P HA 0.300 nan 4.420 nan 0.000 0.276 192 P C -2.352 174.711 177.300 -0.395 0.000 1.244 192 P CA -1.915 60.855 63.100 -0.550 0.000 0.801 192 P CB 0.758 32.043 31.700 -0.691 0.000 1.006 193 P HA -0.184 nan 4.420 nan 0.000 0.216 193 P C 1.495 178.705 177.300 -0.150 0.000 1.150 193 P CA 2.140 65.146 63.100 -0.156 0.000 0.843 193 P CB -0.433 31.203 31.700 -0.106 0.000 0.787 194 A N -0.200 122.512 122.820 -0.180 0.000 2.076 194 A HA -0.191 4.115 4.320 -0.023 0.000 0.220 194 A C 1.789 179.299 177.584 -0.124 0.000 1.160 194 A CA 1.564 53.522 52.037 -0.132 0.000 0.653 194 A CB -0.685 18.239 19.000 -0.126 0.000 0.801 194 A HN 0.138 nan 8.150 nan 0.000 0.455 195 E N -1.205 118.864 120.200 -0.218 0.000 2.498 195 E HA 0.141 4.477 4.350 -0.023 0.000 0.203 195 E C 1.843 178.371 176.600 -0.119 0.000 1.013 195 E CA 0.811 57.110 56.400 -0.169 0.000 0.927 195 E CB -0.634 28.875 29.700 -0.317 0.000 1.012 195 E HN 0.775 nan 8.360 nan 0.000 0.482 196 E N 2.780 122.916 120.200 -0.108 0.000 2.130 196 E HA -0.279 4.058 4.350 -0.023 0.000 0.196 196 E C 1.877 178.493 176.600 0.026 0.000 0.998 196 E CA 2.035 58.422 56.400 -0.022 0.000 0.806 196 E CB -1.006 28.684 29.700 -0.015 0.000 0.738 196 E HN 0.496 nan 8.360 nan 0.000 0.459 197 K N -0.358 120.052 120.400 0.016 0.000 2.280 197 K HA -0.097 4.209 4.320 -0.023 0.000 0.202 197 K C 1.407 178.033 176.600 0.043 0.000 1.047 197 K CA 1.495 57.805 56.287 0.038 0.000 0.942 197 K CB 0.063 32.580 32.500 0.027 0.000 0.739 197 K HN 0.223 nan 8.250 nan 0.000 0.457 198 N N -0.195 118.524 118.700 0.031 0.000 2.299 198 N HA -0.056 4.670 4.740 -0.023 0.000 0.187 198 N C -0.615 174.931 175.510 0.060 0.000 1.099 198 N CA 0.080 53.149 53.050 0.032 0.000 0.867 198 N CB 0.124 38.620 38.487 0.016 0.000 0.974 198 N HN 0.172 nan 8.380 nan 0.000 0.477 199 Y N 3.053 123.280 120.300 -0.121 0.000 2.584 199 Y HA 0.355 4.893 4.550 -0.019 0.000 0.351 199 Y C 0.361 176.170 175.900 -0.152 0.000 1.030 199 Y CA -1.645 56.344 58.100 -0.186 0.000 1.332 199 Y CB -0.688 37.596 38.460 -0.293 0.000 1.148 199 Y HN -0.036 nan 8.280 nan 0.000 0.528 200 A N 5.878 128.754 122.820 0.093 0.000 2.448 200 A HA 0.167 4.473 4.320 -0.023 0.000 0.239 200 A C -0.629 176.970 177.584 0.026 0.000 1.080 200 A CA -0.281 51.778 52.037 0.037 0.000 0.779 200 A CB 0.201 19.162 19.000 -0.065 0.000 1.026 200 A HN 0.874 nan 8.150 nan 0.000 0.499 201 W N -0.084 121.231 121.300 0.024 0.000 2.381 201 W HA 0.509 5.165 4.660 -0.005 0.000 0.329 201 W C 0.790 177.003 176.519 -0.510 0.000 1.157 201 W CA 0.351 57.508 57.345 -0.314 0.000 1.240 201 W CB 1.419 30.539 29.460 -0.567 0.000 1.199 201 W HN 0.931 nan 8.180 nan 0.000 0.579 202 G N 1.315 109.875 108.800 -0.400 0.000 2.451 202 G HA2 0.501 4.447 3.960 -0.023 0.000 0.303 202 G HA3 0.501 4.447 3.960 -0.023 0.000 0.303 202 G C -2.147 172.369 174.900 -0.640 0.000 1.166 202 G CA -0.432 44.140 45.100 -0.881 0.000 0.884 202 G HN 0.412 nan 8.290 nan 0.000 0.514 203 Y N -0.060 120.136 120.300 -0.173 0.000 2.338 203 Y HA 0.516 5.050 4.550 -0.026 0.000 0.333 203 Y C 0.474 176.357 175.900 -0.027 0.000 0.968 203 Y CA -0.784 57.278 58.100 -0.063 0.000 1.123 203 Y CB 2.222 40.655 38.460 -0.046 0.000 1.165 203 Y HN 0.454 nan 8.280 nan 0.000 0.452 204 R N 2.644 123.193 120.500 0.081 0.000 2.435 204 R HA 0.326 4.652 4.340 -0.023 0.000 0.308 204 R C -0.598 175.741 176.300 0.065 0.000 0.975 204 R CA -0.492 55.651 56.100 0.070 0.000 0.867 204 R CB 0.700 31.027 30.300 0.046 0.000 1.171 204 R HN 0.834 nan 8.270 nan 0.000 0.470 205 E N 2.514 122.754 120.200 0.066 0.000 2.513 205 E HA -0.225 4.111 4.350 -0.023 0.000 0.257 205 E C 0.653 177.281 176.600 0.048 0.000 1.098 205 E CA 1.447 57.874 56.400 0.046 0.000 0.752 205 E CB -1.220 28.498 29.700 0.030 0.000 1.324 205 E HN 1.167 nan 8.360 nan 0.000 0.403 206 G N -2.861 105.989 108.800 0.083 0.000 2.205 206 G HA2 -0.308 3.638 3.960 -0.023 0.000 0.261 206 G HA3 -0.308 3.638 3.960 -0.023 0.000 0.261 206 G C 0.383 175.364 174.900 0.136 0.000 0.980 206 G CA 0.876 46.029 45.100 0.088 0.000 0.632 206 G HN 0.925 nan 8.290 nan 0.000 0.533 207 K N 0.003 120.456 120.400 0.089 0.000 2.156 207 K HA 0.948 5.254 4.320 -0.023 0.000 0.271 207 K C 0.343 176.884 176.600 -0.098 0.000 0.995 207 K CA 0.449 56.738 56.287 0.003 0.000 0.890 207 K CB 1.322 33.801 32.500 -0.035 0.000 1.073 207 K HN 1.913 nan 8.250 nan 0.000 0.454 208 A N 1.305 123.955 122.820 -0.284 0.000 2.454 208 A HA 0.567 4.873 4.320 -0.023 0.000 0.260 208 A C 0.313 177.697 177.584 -0.335 0.000 1.106 208 A CA 0.279 51.944 52.037 -0.620 0.000 0.780 208 A CB -0.613 17.798 19.000 -0.981 0.000 1.044 208 A HN 1.889 nan 8.150 nan 0.000 0.498 209 V N 0.868 120.705 119.914 -0.129 0.000 3.087 209 V HA 0.676 4.783 4.120 -0.023 0.000 0.306 209 V C -0.776 175.415 176.094 0.161 0.000 1.187 209 V CA -0.842 61.500 62.300 0.069 0.000 0.999 209 V CB 1.226 33.076 31.823 0.046 0.000 1.049 209 V HN 0.975 nan 8.190 nan 0.000 0.431 210 H N 0.439 119.636 119.070 0.211 0.000 2.679 210 H HA 0.698 5.242 4.556 -0.019 0.000 0.367 210 H C -0.479 174.943 175.328 0.158 0.000 1.162 210 H CA -0.953 55.161 56.048 0.110 0.000 1.181 210 H CB 2.300 31.990 29.762 -0.119 0.000 1.693 210 H HN 0.810 nan 8.280 nan 0.000 0.538 211 V N 2.288 122.394 119.914 0.321 0.000 2.788 211 V HA -0.017 4.089 4.120 -0.023 0.000 0.307 211 V C -0.170 176.048 176.094 0.207 0.000 1.069 211 V CA 0.446 62.891 62.300 0.242 0.000 1.173 211 V CB 0.783 32.755 31.823 0.248 0.000 0.925 211 V HN 0.739 nan 8.190 nan 0.000 0.492 212 S N 6.949 122.755 115.700 0.176 0.000 2.610 212 S HA 0.520 4.977 4.470 -0.023 0.000 0.273 212 S C -2.303 172.389 174.600 0.154 0.000 1.274 212 S CA -0.698 57.589 58.200 0.145 0.000 1.023 212 S CB 1.243 64.509 63.200 0.110 0.000 0.962 212 S HN 0.822 nan 8.310 nan 0.000 0.523 213 P HA 0.459 nan 4.420 nan 0.000 0.269 213 P C -0.230 177.124 177.300 0.090 0.000 1.209 213 P CA -0.059 63.088 63.100 0.079 0.000 0.776 213 P CB 0.465 32.192 31.700 0.045 0.000 0.876 214 G N -0.065 108.776 108.800 0.068 0.000 2.646 214 G HA2 0.552 4.498 3.960 -0.023 0.000 0.291 214 G HA3 0.552 4.498 3.960 -0.023 0.000 0.291 214 G C -1.464 173.434 174.900 -0.003 0.000 1.445 214 G CA -0.518 44.627 45.100 0.075 0.000 0.814 214 G HN 0.529 nan 8.290 nan 0.000 0.495 215 A N 0.333 123.143 122.820 -0.016 0.000 2.520 215 A HA 0.546 4.852 4.320 -0.023 0.000 0.245 215 A C 1.382 178.917 177.584 -0.081 0.000 1.072 215 A CA 0.388 52.394 52.037 -0.052 0.000 0.761 215 A CB -0.404 18.561 19.000 -0.059 0.000 1.004 215 A HN 1.739 nan 8.150 nan 0.000 0.499 216 L N 0.640 121.783 121.223 -0.133 0.000 4.001 216 L HA -0.312 4.014 4.340 -0.023 0.000 0.413 216 L C 1.056 177.717 176.870 -0.349 0.000 1.185 216 L CA 0.656 55.369 54.840 -0.212 0.000 0.963 216 L CB -1.729 40.264 42.059 -0.109 0.000 1.976 216 L HN 1.005 nan 8.230 nan 0.000 0.939 217 D N -0.038 120.106 120.400 -0.427 0.000 2.144 217 D HA -0.103 4.524 4.640 -0.023 0.000 0.200 217 D C 1.967 177.838 176.300 -0.714 0.000 0.978 217 D CA 1.276 54.727 54.000 -0.915 0.000 0.833 217 D CB -0.066 40.335 40.800 -0.665 0.000 0.961 217 D HN 0.432 nan 8.370 nan 0.000 0.470 218 A N 0.900 123.475 122.820 -0.409 0.000 1.883 218 A HA -0.236 4.070 4.320 -0.023 0.000 0.217 218 A C 2.093 179.487 177.584 -0.316 0.000 1.186 218 A CA 1.980 53.864 52.037 -0.254 0.000 0.624 218 A CB -0.695 18.234 19.000 -0.118 0.000 0.822 218 A HN 0.212 nan 8.150 nan 0.000 0.444 219 E N -0.511 119.309 120.200 -0.633 0.000 2.208 219 E HA 0.156 4.492 4.350 -0.023 0.000 0.193 219 E C 1.886 178.341 176.600 -0.241 0.000 0.988 219 E CA 1.135 57.107 56.400 -0.714 0.000 0.828 219 E CB -0.194 28.978 29.700 -0.881 0.000 0.763 219 E HN 0.604 nan 8.360 nan 0.000 0.478 220 A N -0.388 122.299 122.820 -0.222 0.000 2.055 220 A HA 0.125 4.431 4.320 -0.023 0.000 0.205 220 A C 0.614 178.292 177.584 0.156 0.000 1.235 220 A CA 0.414 52.450 52.037 -0.002 0.000 0.822 220 A CB 0.057 19.116 19.000 0.100 0.000 0.903 220 A HN 0.383 nan 8.150 nan 0.000 0.473 221 Y N -4.098 116.221 120.300 0.032 0.000 3.099 221 Y HA 0.482 5.018 4.550 -0.024 0.000 0.238 221 Y C 0.746 176.669 175.900 0.037 0.000 1.028 221 Y CA -0.480 57.654 58.100 0.057 0.000 1.187 221 Y CB -0.407 38.092 38.460 0.066 0.000 1.255 221 Y HN -0.017 nan 8.280 nan 0.000 0.666 222 G N 0.583 109.329 108.800 -0.090 0.000 3.088 222 G HA2 0.339 4.285 3.960 -0.023 0.000 0.217 222 G HA3 0.339 4.285 3.960 -0.023 0.000 0.217 222 G C -0.159 174.723 174.900 -0.031 0.000 1.159 222 G CA 0.111 45.166 45.100 -0.075 0.000 0.760 222 G HN 0.141 nan 8.290 nan 0.000 0.550 223 V N 0.511 120.411 119.914 -0.023 0.000 2.607 223 V HA 0.444 4.551 4.120 -0.023 0.000 0.289 223 V C -0.296 175.717 176.094 -0.135 0.000 1.053 223 V CA -0.405 61.822 62.300 -0.120 0.000 0.996 223 V CB 1.474 33.145 31.823 -0.253 0.000 0.995 223 V HN 0.133 nan 8.190 nan 0.000 0.476 224 K N 2.370 122.650 120.400 -0.201 0.000 2.378 224 K HA 0.780 5.086 4.320 -0.023 0.000 0.252 224 K C -0.624 175.855 176.600 -0.201 0.000 0.931 224 K CA -0.176 55.993 56.287 -0.198 0.000 0.794 224 K CB 2.068 34.372 32.500 -0.327 0.000 1.181 224 K HN 0.719 nan 8.250 nan 0.000 0.425 225 S N 0.336 115.978 115.700 -0.097 0.000 2.625 225 S HA 0.611 5.068 4.470 -0.023 0.000 0.271 225 S C -1.101 173.552 174.600 0.087 0.000 1.161 225 S CA -0.698 57.444 58.200 -0.097 0.000 0.820 225 S CB 0.980 64.077 63.200 -0.172 0.000 1.137 225 S HN 0.663 nan 8.310 nan 0.000 0.470 226 T N 0.318 114.913 114.554 0.069 0.000 2.912 226 T HA 0.510 4.846 4.350 -0.023 0.000 0.280 226 T C 1.251 176.035 174.700 0.139 0.000 0.989 226 T CA -0.518 61.669 62.100 0.144 0.000 0.995 226 T CB 0.749 69.642 68.868 0.042 0.000 1.077 226 T HN 0.462 nan 8.240 nan 0.000 0.531 227 I N 0.649 121.310 120.570 0.151 0.000 2.493 227 I HA -0.028 4.128 4.170 -0.023 0.000 0.254 227 I C 2.299 178.497 176.117 0.135 0.000 1.160 227 I CA 1.377 62.769 61.300 0.153 0.000 1.445 227 I CB -0.618 37.489 38.000 0.178 0.000 1.086 227 I HN 0.803 nan 8.210 nan 0.000 0.433 228 E N -0.042 120.122 120.200 -0.060 0.000 2.047 228 E HA -0.210 4.126 4.350 -0.023 0.000 0.191 228 E C 1.662 178.316 176.600 0.089 0.000 0.987 228 E CA 1.406 57.759 56.400 -0.079 0.000 0.799 228 E CB -0.172 29.377 29.700 -0.252 0.000 0.752 228 E HN 0.468 nan 8.360 nan 0.000 0.449 229 D N 0.211 120.643 120.400 0.053 0.000 2.144 229 D HA -0.109 4.517 4.640 -0.023 0.000 0.200 229 D C 1.832 178.231 176.300 0.165 0.000 0.978 229 D CA 0.909 54.946 54.000 0.061 0.000 0.833 229 D CB 0.004 40.769 40.800 -0.058 0.000 0.961 229 D HN 0.058 nan 8.370 nan 0.000 0.470 230 M N 0.229 119.944 119.600 0.192 0.000 2.229 230 M HA 0.018 4.484 4.480 -0.023 0.000 0.264 230 M C 2.185 178.662 176.300 0.294 0.000 1.063 230 M CA 0.606 56.083 55.300 0.295 0.000 1.114 230 M CB -1.007 31.748 32.600 0.259 0.000 1.387 230 M HN -0.022 nan 8.290 nan 0.000 0.420 231 A N -0.049 122.924 122.820 0.255 0.000 1.902 231 A HA -0.186 4.121 4.320 -0.023 0.000 0.217 231 A C 2.386 180.052 177.584 0.137 0.000 1.181 231 A CA 1.802 53.960 52.037 0.201 0.000 0.623 231 A CB -0.675 18.499 19.000 0.290 0.000 0.818 231 A HN 0.456 nan 8.150 nan 0.000 0.443 232 R N -1.400 119.203 120.500 0.171 0.000 2.092 232 R HA -0.157 4.169 4.340 -0.023 0.000 0.231 232 R C 2.134 178.544 176.300 0.183 0.000 1.119 232 R CA 1.440 57.621 56.100 0.135 0.000 0.970 232 R CB -0.361 30.020 30.300 0.135 0.000 0.864 232 R HN 0.837 nan 8.270 nan 0.000 0.440 233 W N 0.372 121.696 121.300 0.039 0.000 2.358 233 W HA -0.194 4.453 4.660 -0.022 0.000 0.303 233 W C 1.389 177.857 176.519 -0.085 0.000 1.208 233 W CA 1.101 58.464 57.345 0.029 0.000 1.274 233 W CB -0.009 29.510 29.460 0.099 0.000 1.138 233 W HN -0.038 nan 8.180 nan 0.000 0.515 234 V N 1.424 121.291 119.914 -0.080 0.000 2.295 234 V HA -0.347 3.759 4.120 -0.023 0.000 0.246 234 V C 2.383 178.140 176.094 -0.562 0.000 1.049 234 V CA 2.307 64.348 62.300 -0.431 0.000 1.024 234 V CB -1.046 30.653 31.823 -0.207 0.000 0.648 234 V HN 0.248 nan 8.190 nan 0.000 0.447 235 Q N -0.226 119.398 119.800 -0.293 0.000 2.096 235 Q HA -0.187 4.139 4.340 -0.023 0.000 0.204 235 Q C 2.474 178.291 176.000 -0.305 0.000 0.982 235 Q CA 1.981 57.626 55.803 -0.264 0.000 0.850 235 Q CB -0.300 28.358 28.738 -0.134 0.000 0.901 235 Q HN 0.599 nan 8.270 nan 0.000 0.422 236 S N 0.884 116.420 115.700 -0.274 0.000 2.382 236 S HA -0.088 4.368 4.470 -0.023 0.000 0.228 236 S C 1.550 175.903 174.600 -0.413 0.000 1.027 236 S CA 0.941 58.988 58.200 -0.255 0.000 0.991 236 S CB -0.172 62.949 63.200 -0.132 0.000 0.823 236 S HN 0.375 nan 8.310 nan 0.000 0.469 237 N N 1.010 119.294 118.700 -0.693 0.000 2.409 237 N HA 0.134 4.860 4.740 -0.023 0.000 0.179 237 N C 1.550 176.591 175.510 -0.781 0.000 1.032 237 N CA 0.465 53.029 53.050 -0.809 0.000 0.898 237 N CB -0.096 37.696 38.487 -1.158 0.000 0.971 237 N HN 0.334 nan 8.380 nan 0.000 0.441 238 L N 0.200 120.924 121.223 -0.833 0.000 2.109 238 L HA 0.004 4.330 4.340 -0.023 0.000 0.207 238 L C 1.100 177.793 176.870 -0.294 0.000 1.086 238 L CA 0.969 55.482 54.840 -0.545 0.000 0.760 238 L CB 0.155 41.926 42.059 -0.480 0.000 0.910 238 L HN -0.068 nan 8.230 nan 0.000 0.437 239 K N -0.404 119.833 120.400 -0.273 0.000 3.029 239 K HA 0.187 4.494 4.320 -0.023 0.000 0.169 239 K C -1.923 174.586 176.600 -0.152 0.000 1.090 239 K CA -1.132 55.048 56.287 -0.178 0.000 0.883 239 K CB 1.081 33.490 32.500 -0.152 0.000 1.080 239 K HN -0.167 nan 8.250 nan 0.000 0.613 240 P HA -0.164 nan 4.420 nan 0.000 0.222 240 P C 0.979 178.235 177.300 -0.073 0.000 1.147 240 P CA 0.866 63.900 63.100 -0.110 0.000 0.790 240 P CB 0.253 31.893 31.700 -0.100 0.000 0.780 241 L N -0.407 120.774 121.223 -0.070 0.000 2.362 241 L HA -0.082 4.244 4.340 -0.023 0.000 0.219 241 L C 1.681 178.523 176.870 -0.047 0.000 1.134 241 L CA 1.092 55.901 54.840 -0.052 0.000 0.807 241 L CB -0.871 41.157 42.059 -0.050 0.000 0.927 241 L HN -0.087 nan 8.230 nan 0.000 0.447 242 D N 0.072 120.439 120.400 -0.056 0.000 2.355 242 D HA 0.142 4.768 4.640 -0.023 0.000 0.218 242 D C 0.782 177.060 176.300 -0.037 0.000 1.004 242 D CA 0.468 54.440 54.000 -0.048 0.000 0.880 242 D CB 0.212 40.977 40.800 -0.058 0.000 0.911 242 D HN 0.231 nan 8.370 nan 0.000 0.528 243 I N 1.600 122.149 120.570 -0.036 0.000 2.416 243 I HA 0.032 4.188 4.170 -0.023 0.000 0.288 243 I C 1.347 177.455 176.117 -0.014 0.000 1.051 243 I CA -0.328 60.960 61.300 -0.020 0.000 1.375 243 I CB 0.936 38.927 38.000 -0.015 0.000 1.407 243 I HN -0.198 nan 8.210 nan 0.000 0.516 244 N N 4.096 122.790 118.700 -0.009 0.000 2.270 244 N HA -0.079 4.647 4.740 -0.023 0.000 0.181 244 N C 0.101 175.608 175.510 -0.005 0.000 1.016 244 N CA 0.805 53.850 53.050 -0.008 0.000 0.870 244 N CB 0.086 38.569 38.487 -0.008 0.000 0.979 244 N HN 0.568 nan 8.380 nan 0.000 0.431 245 E N 1.199 121.399 120.200 -0.001 0.000 2.104 245 E HA 0.158 4.494 4.350 -0.023 0.000 0.278 245 E C 1.207 177.808 176.600 0.001 0.000 1.127 245 E CA -0.041 56.359 56.400 -0.000 0.000 0.897 245 E CB 0.553 30.255 29.700 0.004 0.000 1.043 245 E HN 0.214 nan 8.360 nan 0.000 0.410 246 K N 2.364 122.763 120.400 -0.002 0.000 2.034 246 K HA -0.255 4.051 4.320 -0.023 0.000 0.214 246 K C 2.062 178.664 176.600 0.003 0.000 1.051 246 K CA 2.566 58.852 56.287 -0.002 0.000 0.931 246 K CB -1.729 30.769 32.500 -0.003 0.000 0.715 246 K HN 0.670 nan 8.250 nan 0.000 0.446 247 T N -1.119 113.438 114.554 0.004 0.000 2.915 247 T HA -0.031 4.305 4.350 -0.023 0.000 0.269 247 T C 1.956 176.667 174.700 0.019 0.000 1.071 247 T CA 1.309 63.414 62.100 0.009 0.000 1.132 247 T CB -0.123 68.745 68.868 0.001 0.000 0.878 247 T HN 0.246 nan 8.240 nan 0.000 0.479 248 L N 1.111 122.346 121.223 0.021 0.000 2.095 248 L HA 0.156 4.482 4.340 -0.023 0.000 0.204 248 L C 2.779 179.671 176.870 0.038 0.000 1.080 248 L CA 1.729 56.593 54.840 0.041 0.000 0.759 248 L CB -1.073 41.014 42.059 0.047 0.000 0.914 248 L HN 0.385 nan 8.230 nan 0.000 0.439 249 Q N -0.832 118.979 119.800 0.017 0.000 2.061 249 Q HA -0.284 4.042 4.340 -0.023 0.000 0.204 249 Q C 2.133 178.137 176.000 0.007 0.000 0.984 249 Q CA 2.241 58.045 55.803 0.000 0.000 0.846 249 Q CB -0.133 28.599 28.738 -0.009 0.000 0.902 249 Q HN 0.667 nan 8.270 nan 0.000 0.421 250 Q N -0.721 119.089 119.800 0.016 0.000 2.119 250 Q HA -0.086 4.240 4.340 -0.023 0.000 0.201 250 Q C 2.050 178.079 176.000 0.049 0.000 0.972 250 Q CA 1.126 56.944 55.803 0.024 0.000 0.847 250 Q CB -0.187 28.564 28.738 0.022 0.000 0.903 250 Q HN 0.573 nan 8.270 nan 0.000 0.433 251 G N 0.911 109.747 108.800 0.061 0.000 2.422 251 G HA2 -0.215 3.731 3.960 -0.023 0.000 0.218 251 G HA3 -0.215 3.731 3.960 -0.023 0.000 0.218 251 G C 1.398 176.369 174.900 0.119 0.000 1.146 251 G CA 0.474 45.631 45.100 0.096 0.000 0.769 251 G HN 0.223 nan 8.290 nan 0.000 0.547 252 I N 0.085 120.705 120.570 0.084 0.000 2.315 252 I HA -0.192 3.965 4.170 -0.023 0.000 0.248 252 I C 3.007 179.156 176.117 0.054 0.000 1.117 252 I CA 1.052 62.390 61.300 0.063 0.000 1.404 252 I CB -0.182 37.800 38.000 -0.031 0.000 1.071 252 I HN 0.249 nan 8.210 nan 0.000 0.419 253 Q N 0.424 120.244 119.800 0.033 0.000 2.046 253 Q HA -0.165 4.161 4.340 -0.023 0.000 0.200 253 Q C 2.378 178.415 176.000 0.061 0.000 0.975 253 Q CA 1.337 57.151 55.803 0.019 0.000 0.836 253 Q CB -0.087 28.652 28.738 0.002 0.000 0.896 253 Q HN 0.497 nan 8.270 nan 0.000 0.428 254 L N 0.056 121.340 121.223 0.102 0.000 2.131 254 L HA -0.159 4.167 4.340 -0.023 0.000 0.210 254 L C 2.349 179.379 176.870 0.266 0.000 1.092 254 L CA 0.846 55.788 54.840 0.169 0.000 0.759 254 L CB -0.434 41.729 42.059 0.173 0.000 0.903 254 L HN 0.210 nan 8.230 nan 0.000 0.435 255 A N -0.964 122.007 122.820 0.253 0.000 2.066 255 A HA -0.157 4.149 4.320 -0.023 0.000 0.218 255 A C 2.020 179.831 177.584 0.378 0.000 1.157 255 A CA 1.048 53.292 52.037 0.345 0.000 0.670 255 A CB -0.197 19.045 19.000 0.404 0.000 0.804 255 A HN 0.488 nan 8.150 nan 0.000 0.453 256 Q N -0.042 119.889 119.800 0.219 0.000 2.247 256 Q HA 0.203 4.529 4.340 -0.023 0.000 0.204 256 Q C -0.209 175.811 176.000 0.033 0.000 0.872 256 Q CA -0.325 55.545 55.803 0.112 0.000 0.951 256 Q CB 0.508 29.227 28.738 -0.030 0.000 1.099 256 Q HN 0.487 nan 8.270 nan 0.000 0.501 257 S N 0.883 116.591 115.700 0.013 0.000 2.585 257 S HA 0.249 4.705 4.470 -0.023 0.000 0.273 257 S C 0.056 174.436 174.600 -0.368 0.000 1.339 257 S CA -0.255 57.795 58.200 -0.250 0.000 1.028 257 S CB 0.632 63.581 63.200 -0.420 0.000 0.906 257 S HN 0.232 nan 8.310 nan 0.000 0.528 258 R N 1.539 121.796 120.500 -0.406 0.000 2.204 258 R HA 0.229 4.555 4.340 -0.023 0.000 0.341 258 R C -0.350 175.737 176.300 -0.354 0.000 1.035 258 R CA -0.112 55.850 56.100 -0.229 0.000 0.887 258 R CB 0.292 30.450 30.300 -0.237 0.000 1.114 258 R HN 0.685 nan 8.270 nan 0.000 0.473 259 Y N 0.705 121.006 120.300 0.002 0.000 2.436 259 Y HA 0.117 4.653 4.550 -0.023 0.000 0.288 259 Y C 0.145 175.749 175.900 -0.493 0.000 1.112 259 Y CA 0.380 58.319 58.100 -0.269 0.000 1.220 259 Y CB 0.485 38.795 38.460 -0.250 0.000 1.073 259 Y HN 0.459 nan 8.280 nan 0.000 0.552 260 W N -0.496 120.976 121.300 0.286 0.000 3.118 260 W HA 0.548 5.195 4.660 -0.023 0.000 0.328 260 W C -0.963 175.675 176.519 0.198 0.000 1.239 260 W CA -1.039 56.434 57.345 0.214 0.000 1.176 260 W CB 1.068 30.640 29.460 0.186 0.000 1.433 260 W HN -0.464 nan 8.180 nan 0.000 0.562 261 Q N 1.247 121.264 119.800 0.362 0.000 2.356 261 Q HA 0.656 4.982 4.340 -0.023 0.000 0.270 261 Q C -1.347 174.679 176.000 0.043 0.000 1.058 261 Q CA -0.495 55.353 55.803 0.075 0.000 0.802 261 Q CB 2.538 31.247 28.738 -0.048 0.000 1.303 261 Q HN 0.449 nan 8.270 nan 0.000 0.444 262 T N 2.589 117.116 114.554 -0.046 0.000 2.965 262 T HA 0.602 4.939 4.350 -0.023 0.000 0.306 262 T C 0.358 175.008 174.700 -0.083 0.000 0.991 262 T CA 0.767 62.848 62.100 -0.033 0.000 1.001 262 T CB 0.584 69.454 68.868 0.003 0.000 0.984 262 T HN 1.066 nan 8.240 nan 0.000 0.446 263 G N 3.897 112.647 108.800 -0.083 0.000 2.561 263 G HA2 -0.292 3.655 3.960 -0.023 0.000 0.289 263 G HA3 -0.292 3.655 3.960 -0.023 0.000 0.289 263 G C 0.602 175.415 174.900 -0.144 0.000 1.169 263 G CA 1.054 46.101 45.100 -0.088 0.000 0.980 263 G HN 1.281 nan 8.290 nan 0.000 0.550 264 D N 0.033 120.355 120.400 -0.131 0.000 2.363 264 D HA 0.588 5.214 4.640 -0.023 0.000 0.214 264 D C 1.084 177.261 176.300 -0.205 0.000 1.093 264 D CA 1.579 55.488 54.000 -0.151 0.000 0.837 264 D CB -0.117 40.639 40.800 -0.073 0.000 0.948 264 D HN 1.063 nan 8.370 nan 0.000 0.507 265 M N -1.560 117.915 119.600 -0.210 0.000 2.537 265 M HA 0.706 5.172 4.480 -0.023 0.000 0.324 265 M C -1.498 174.644 176.300 -0.263 0.000 1.187 265 M CA -1.095 54.145 55.300 -0.101 0.000 0.993 265 M CB 1.534 34.184 32.600 0.083 0.000 1.666 265 M HN -0.036 nan 8.290 nan 0.000 0.461 266 Y N 0.567 120.980 120.300 0.188 0.000 2.409 266 Y HA 0.584 5.120 4.550 -0.023 0.000 0.343 266 Y C -0.537 175.525 175.900 0.270 0.000 0.973 266 Y CA -0.588 57.634 58.100 0.203 0.000 1.064 266 Y CB 1.865 40.409 38.460 0.140 0.000 1.207 266 Y HN 0.707 nan 8.280 nan 0.000 0.452 267 Q N 1.878 121.963 119.800 0.476 0.000 2.274 267 Q HA 0.581 4.907 4.340 -0.023 0.000 0.256 267 Q C -0.042 176.263 176.000 0.508 0.000 0.927 267 Q CA -0.184 55.904 55.803 0.475 0.000 0.939 267 Q CB 1.217 30.256 28.738 0.501 0.000 1.201 267 Q HN 0.899 nan 8.270 nan 0.000 0.426 268 G N 2.754 111.825 108.800 0.451 0.000 2.890 268 G HA2 0.501 4.447 3.960 -0.023 0.000 0.189 268 G HA3 0.501 4.447 3.960 -0.023 0.000 0.189 268 G C -0.977 174.111 174.900 0.314 0.000 1.342 268 G CA -0.820 44.573 45.100 0.489 0.000 1.026 268 G HN 0.583 nan 8.290 nan 0.000 0.579 269 L N 1.220 122.600 121.223 0.261 0.000 2.272 269 L HA 0.451 4.777 4.340 -0.023 0.000 0.284 269 L C 1.347 178.284 176.870 0.111 0.000 1.045 269 L CA 0.458 55.323 54.840 0.041 0.000 0.842 269 L CB 0.490 42.566 42.059 0.027 0.000 1.224 269 L HN 1.056 nan 8.230 nan 0.000 0.430 270 G N 2.203 111.040 108.800 0.061 0.000 3.909 270 G HA2 -0.301 3.645 3.960 -0.023 0.000 0.218 270 G HA3 -0.301 3.645 3.960 -0.023 0.000 0.218 270 G C 0.020 174.995 174.900 0.126 0.000 1.404 270 G CA -0.215 44.919 45.100 0.056 0.000 0.905 270 G HN 0.506 nan 8.290 nan 0.000 0.589 271 W N 2.124 123.552 121.300 0.213 0.000 2.137 271 W HA 0.583 5.230 4.660 -0.022 0.000 0.344 271 W C 0.836 177.498 176.519 0.238 0.000 1.286 271 W CA -0.117 57.347 57.345 0.198 0.000 1.240 271 W CB 0.403 29.949 29.460 0.143 0.000 1.141 271 W HN 0.332 nan 8.180 nan 0.000 0.579 272 E N 1.221 121.766 120.200 0.575 0.000 2.288 272 E HA 0.550 4.886 4.350 -0.023 0.000 0.268 272 E C -0.912 175.973 176.600 0.474 0.000 0.885 272 E CA -1.093 55.606 56.400 0.500 0.000 0.767 272 E CB 1.796 31.785 29.700 0.481 0.000 1.220 272 E HN 0.165 nan 8.360 nan 0.000 0.427 273 M N 1.907 121.745 119.600 0.397 0.000 2.550 273 M HA 0.502 4.968 4.480 -0.023 0.000 0.292 273 M C -1.573 174.956 176.300 0.381 0.000 1.221 273 M CA -0.390 55.089 55.300 0.297 0.000 0.873 273 M CB 1.734 34.439 32.600 0.176 0.000 1.727 273 M HN 0.297 nan 8.290 nan 0.000 0.459 274 L N 0.459 121.875 121.223 0.323 0.000 2.393 274 L HA 0.564 4.890 4.340 -0.023 0.000 0.260 274 L C -0.813 176.238 176.870 0.303 0.000 1.002 274 L CA -0.654 54.383 54.840 0.329 0.000 0.818 274 L CB 1.977 44.146 42.059 0.183 0.000 1.369 274 L HN 0.570 nan 8.230 nan 0.000 0.412 275 D N 0.729 121.297 120.400 0.280 0.000 2.414 275 D HA 0.006 4.633 4.640 -0.023 0.000 0.242 275 D C -0.947 175.501 176.300 0.245 0.000 1.129 275 D CA 0.168 54.294 54.000 0.210 0.000 0.885 275 D CB 1.224 42.114 40.800 0.151 0.000 1.198 275 D HN 0.362 nan 8.370 nan 0.000 0.437 276 W N 4.123 125.476 121.300 0.088 0.000 2.469 276 W HA 0.277 4.924 4.660 -0.023 0.000 0.320 276 W C -2.320 174.242 176.519 0.072 0.000 1.086 276 W CA -1.874 55.536 57.345 0.109 0.000 1.211 276 W CB 1.342 30.880 29.460 0.129 0.000 1.298 276 W HN 0.220 nan 8.180 nan 0.000 0.525 277 P HA 0.113 nan 4.420 nan 0.000 0.271 277 P C -0.481 176.496 177.300 -0.537 0.000 1.218 277 P CA 0.087 62.428 63.100 -1.264 0.000 0.780 277 P CB 1.633 32.756 31.700 -0.962 0.000 0.901 278 V N -0.500 119.135 119.914 -0.465 0.000 2.850 278 V HA 0.508 4.614 4.120 -0.023 0.000 0.315 278 V C 0.167 176.074 176.094 -0.312 0.000 1.064 278 V CA -1.127 61.033 62.300 -0.234 0.000 0.979 278 V CB 1.568 33.284 31.823 -0.179 0.000 1.039 278 V HN 0.563 nan 8.190 nan 0.000 0.452 279 N N 4.192 122.713 118.700 -0.299 0.000 2.406 279 N HA 0.323 5.050 4.740 -0.023 0.000 0.251 279 N C -1.272 173.929 175.510 -0.514 0.000 1.069 279 N CA -2.075 50.768 53.050 -0.345 0.000 0.947 279 N CB 1.535 39.876 38.487 -0.245 0.000 1.111 279 N HN 0.561 nan 8.380 nan 0.000 0.497 280 P HA -0.152 nan 4.420 nan 0.000 0.216 280 P C 0.287 177.212 177.300 -0.625 0.000 1.153 280 P CA 1.349 63.766 63.100 -1.139 0.000 0.858 280 P CB 0.421 30.896 31.700 -2.040 0.000 0.789 281 D N -0.699 119.423 120.400 -0.463 0.000 2.263 281 D HA -0.110 4.516 4.640 -0.023 0.000 0.208 281 D C 2.240 178.404 176.300 -0.226 0.000 0.971 281 D CA 1.092 54.920 54.000 -0.286 0.000 0.867 281 D CB -0.554 40.114 40.800 -0.221 0.000 0.929 281 D HN 0.150 nan 8.370 nan 0.000 0.492 282 S N -0.390 115.160 115.700 -0.251 0.000 2.357 282 S HA -0.073 4.383 4.470 -0.023 0.000 0.221 282 S C 1.947 176.457 174.600 -0.149 0.000 1.031 282 S CA 0.825 58.917 58.200 -0.179 0.000 0.982 282 S CB -0.163 62.931 63.200 -0.178 0.000 0.853 282 S HN 0.394 nan 8.310 nan 0.000 0.458 283 I N -0.657 119.781 120.570 -0.219 0.000 2.333 283 I HA 0.024 4.180 4.170 -0.023 0.000 0.246 283 I C 2.139 178.228 176.117 -0.047 0.000 1.106 283 I CA 0.937 62.168 61.300 -0.115 0.000 1.411 283 I CB -0.641 37.190 38.000 -0.281 0.000 1.082 283 I HN 0.216 nan 8.210 nan 0.000 0.420 284 I N 2.257 122.744 120.570 -0.138 0.000 2.090 284 I HA -0.264 3.892 4.170 -0.023 0.000 0.236 284 I C 2.376 178.450 176.117 -0.072 0.000 1.064 284 I CA 1.715 62.956 61.300 -0.098 0.000 1.324 284 I CB -0.720 37.200 38.000 -0.134 0.000 1.044 284 I HN 0.320 nan 8.210 nan 0.000 0.399 285 N N 1.138 119.786 118.700 -0.087 0.000 2.244 285 N HA -0.102 4.624 4.740 -0.023 0.000 0.183 285 N C 1.856 177.338 175.510 -0.048 0.000 1.016 285 N CA 1.485 54.496 53.050 -0.066 0.000 0.866 285 N CB -0.608 37.835 38.487 -0.073 0.000 0.980 285 N HN 0.447 nan 8.380 nan 0.000 0.430 286 G N 0.742 109.518 108.800 -0.039 0.000 2.443 286 G HA2 -0.207 3.739 3.960 -0.023 0.000 0.219 286 G HA3 -0.207 3.739 3.960 -0.023 0.000 0.219 286 G C 1.611 176.517 174.900 0.010 0.000 1.131 286 G CA 1.113 46.208 45.100 -0.008 0.000 0.775 286 G HN 0.500 nan 8.290 nan 0.000 0.547 287 S N -0.229 115.480 115.700 0.015 0.000 2.527 287 S HA 0.023 4.479 4.470 -0.023 0.000 0.222 287 S C 0.763 175.329 174.600 -0.056 0.000 0.985 287 S CA 0.016 58.214 58.200 -0.004 0.000 0.921 287 S CB -0.001 63.201 63.200 0.003 0.000 0.772 287 S HN 0.270 nan 8.310 nan 0.000 0.529 288 D N 2.881 123.250 120.400 -0.051 0.000 2.458 288 D HA 0.072 4.698 4.640 -0.023 0.000 0.243 288 D C -0.018 176.242 176.300 -0.066 0.000 1.146 288 D CA 0.163 54.130 54.000 -0.056 0.000 0.877 288 D CB 0.344 41.117 40.800 -0.044 0.000 1.176 288 D HN 0.205 nan 8.370 nan 0.000 0.461 294 A N 1.228 124.051 122.820 0.005 0.000 2.327 294 A HA 0.711 5.018 4.320 -0.023 0.000 0.255 294 A C 0.564 178.165 177.584 0.030 0.000 1.099 294 A CA 0.600 52.651 52.037 0.023 0.000 0.801 294 A CB 0.332 19.331 19.000 -0.000 0.000 1.062 294 A HN 0.236 nan 8.150 nan 0.000 0.496 295 A N -0.328 122.510 122.820 0.030 0.000 2.309 295 A HA 0.653 4.959 4.320 -0.023 0.000 0.290 295 A C 0.483 177.978 177.584 -0.149 0.000 1.206 295 A CA 0.305 52.314 52.037 -0.046 0.000 0.850 295 A CB -0.248 18.744 19.000 -0.013 0.000 1.118 295 A HN 1.830 nan 8.150 nan 0.000 0.523 296 R N 4.360 124.753 120.500 -0.178 0.000 2.575 296 R HA 0.799 5.125 4.340 -0.023 0.000 0.293 296 R C -3.310 172.862 176.300 -0.212 0.000 0.983 296 R CA -1.898 54.106 56.100 -0.160 0.000 0.887 296 R CB 0.500 30.752 30.300 -0.080 0.000 1.184 296 R HN 0.700 nan 8.270 nan 0.000 0.445 297 P HA 0.277 nan 4.420 nan 0.000 0.271 297 P C -0.252 176.987 177.300 -0.103 0.000 1.216 297 P CA -0.034 62.950 63.100 -0.193 0.000 0.776 297 P CB 1.292 32.900 31.700 -0.154 0.000 0.881 298 V N -0.357 119.509 119.914 -0.080 0.000 2.769 298 V HA 0.586 4.693 4.120 -0.023 0.000 0.312 298 V C -0.209 175.989 176.094 0.173 0.000 1.061 298 V CA -1.205 61.120 62.300 0.041 0.000 0.931 298 V CB 2.076 33.898 31.823 -0.002 0.000 1.010 298 V HN 0.460 nan 8.190 nan 0.000 0.433 299 K N 2.674 123.221 120.400 0.244 0.000 2.213 299 K HA 0.776 5.082 4.320 -0.023 0.000 0.270 299 K C 0.019 176.853 176.600 0.390 0.000 1.002 299 K CA -0.300 56.139 56.287 0.252 0.000 0.868 299 K CB 1.502 34.091 32.500 0.147 0.000 1.093 299 K HN 1.194 nan 8.250 nan 0.000 0.454 300 A N 5.067 128.105 122.820 0.365 0.000 2.425 300 A HA 0.292 4.598 4.320 -0.023 0.000 0.249 300 A C -0.128 177.438 177.584 -0.031 0.000 1.084 300 A CA -0.376 51.697 52.037 0.060 0.000 0.781 300 A CB -0.022 18.944 19.000 -0.056 0.000 1.019 300 A HN 0.820 nan 8.150 nan 0.000 0.490 301 I N 2.565 123.043 120.570 -0.153 0.000 2.307 301 I HA 0.198 4.354 4.170 -0.023 0.000 0.287 301 I C -0.187 175.839 176.117 -0.151 0.000 1.054 301 I CA 0.180 61.427 61.300 -0.088 0.000 1.218 301 I CB 1.179 39.140 38.000 -0.064 0.000 1.398 301 I HN 0.535 nan 8.210 nan 0.000 0.475 302 T N 6.611 121.109 114.554 -0.092 0.000 2.821 302 T HA 0.414 4.751 4.350 -0.023 0.000 0.307 302 T C -1.684 172.981 174.700 -0.058 0.000 1.034 302 T CA -0.968 61.083 62.100 -0.083 0.000 0.953 302 T CB 0.774 69.612 68.868 -0.050 0.000 0.968 302 T HN 0.444 nan 8.240 nan 0.000 0.462 303 P HA 0.519 nan 4.420 nan 0.000 0.279 303 P C -3.024 174.193 177.300 -0.139 0.000 1.276 303 P CA -2.000 61.046 63.100 -0.091 0.000 0.801 303 P CB -0.003 31.657 31.700 -0.065 0.000 1.127 304 P HA 0.093 nan 4.420 nan 0.000 0.268 304 P C -0.395 176.742 177.300 -0.272 0.000 1.205 304 P CA 0.335 63.239 63.100 -0.327 0.000 0.771 304 P CB 0.019 31.375 31.700 -0.573 0.000 0.858 305 T N 4.899 119.287 114.554 -0.277 0.000 2.794 305 T HA 0.274 4.610 4.350 -0.023 0.000 0.296 305 T C -2.155 172.408 174.700 -0.229 0.000 0.949 305 T CA -1.196 60.772 62.100 -0.219 0.000 1.101 305 T CB -0.011 68.723 68.868 -0.223 0.000 0.905 305 T HN 0.263 nan 8.240 nan 0.000 0.516 306 P HA 0.173 nan 4.420 nan 0.000 0.269 306 P C -0.428 176.793 177.300 -0.132 0.000 1.217 306 P CA -0.411 62.608 63.100 -0.135 0.000 0.783 306 P CB 0.299 31.944 31.700 -0.092 0.000 0.898 307 A N 2.262 125.019 122.820 -0.104 0.000 2.583 307 A HA 0.030 4.336 4.320 -0.023 0.000 0.249 307 A C 0.131 177.655 177.584 -0.099 0.000 1.035 307 A CA 0.316 52.296 52.037 -0.096 0.000 0.777 307 A CB -0.814 18.144 19.000 -0.071 0.000 0.942 307 A HN 0.362 nan 8.150 nan 0.000 0.516 308 V N 5.898 125.745 119.914 -0.112 0.000 2.385 308 V HA 0.139 4.245 4.120 -0.023 0.000 0.269 308 V C 1.541 177.593 176.094 -0.069 0.000 1.043 308 V CA -0.256 61.987 62.300 -0.095 0.000 0.906 308 V CB 0.849 32.600 31.823 -0.119 0.000 0.995 308 V HN 1.060 nan 8.190 nan 0.000 0.467 309 R N 3.553 124.022 120.500 -0.053 0.000 2.105 309 R HA -0.065 4.261 4.340 -0.023 0.000 0.239 309 R C 1.426 177.713 176.300 -0.021 0.000 1.135 309 R CA 1.416 57.489 56.100 -0.046 0.000 0.967 309 R CB -0.087 30.189 30.300 -0.042 0.000 0.861 309 R HN 0.771 nan 8.270 nan 0.000 0.442 310 A N 1.307 124.143 122.820 0.026 0.000 3.051 310 A HA 0.220 4.526 4.320 -0.023 0.000 0.257 310 A C -0.556 177.129 177.584 0.168 0.000 1.785 310 A CA 0.138 52.249 52.037 0.124 0.000 1.420 310 A CB 0.003 19.090 19.000 0.146 0.000 1.063 310 A HN 0.067 nan 8.150 nan 0.000 0.630 311 S N 0.200 115.956 115.700 0.094 0.000 2.599 311 S HA 0.547 5.003 4.470 -0.023 0.000 0.287 311 S C -0.976 173.673 174.600 0.083 0.000 1.105 311 S CA -0.592 57.676 58.200 0.114 0.000 0.899 311 S CB 1.238 64.427 63.200 -0.019 0.000 1.100 311 S HN 0.678 nan 8.310 nan 0.000 0.482 312 W N 3.713 125.009 121.300 -0.007 0.000 2.283 312 W HA 0.555 5.201 4.660 -0.024 0.000 0.317 312 W C -1.854 174.495 176.519 -0.282 0.000 1.042 312 W CA -0.537 56.742 57.345 -0.110 0.000 1.348 312 W CB 0.477 29.986 29.460 0.082 0.000 1.216 312 W HN 0.330 nan 8.180 nan 0.000 0.404 313 V N 7.658 127.079 119.914 -0.821 0.000 2.427 313 V HA 0.414 4.520 4.120 -0.023 0.000 0.286 313 V C 0.071 175.681 176.094 -0.807 0.000 1.034 313 V CA -0.246 61.531 62.300 -0.872 0.000 0.893 313 V CB 1.129 31.960 31.823 -1.653 0.000 0.982 313 V HN 0.675 nan 8.190 nan 0.000 0.452 314 H N 2.541 121.470 119.070 -0.235 0.000 2.948 314 H HA 0.907 5.449 4.556 -0.023 0.000 0.315 314 H C -1.283 174.259 175.328 0.358 0.000 1.360 314 H CA -1.329 54.707 56.048 -0.020 0.000 1.125 314 H CB 2.218 31.984 29.762 0.007 0.000 1.844 314 H HN 0.424 nan 8.280 nan 0.000 0.529 315 K N 1.132 121.617 120.400 0.141 0.000 2.570 315 K HA 0.259 4.565 4.320 -0.023 0.000 0.256 315 K C -1.444 175.231 176.600 0.125 0.000 0.939 315 K CA -0.063 56.274 56.287 0.082 0.000 0.833 315 K CB 2.084 34.629 32.500 0.076 0.000 1.318 315 K HN 0.929 nan 8.250 nan 0.000 0.433 316 T N -0.054 114.604 114.554 0.173 0.000 2.934 316 T HA 0.902 5.238 4.350 -0.023 0.000 0.283 316 T C 0.256 175.055 174.700 0.166 0.000 1.005 316 T CA -0.492 61.770 62.100 0.270 0.000 1.041 316 T CB 1.688 70.643 68.868 0.145 0.000 1.042 316 T HN 0.644 nan 8.240 nan 0.000 0.505 317 G N -0.563 108.337 108.800 0.166 0.000 2.720 317 G HA2 0.783 4.729 3.960 -0.023 0.000 0.295 317 G HA3 0.783 4.729 3.960 -0.023 0.000 0.295 317 G C -1.471 173.515 174.900 0.144 0.000 1.437 317 G CA -0.496 44.699 45.100 0.159 0.000 0.886 317 G HN 1.185 nan 8.290 nan 0.000 0.509 318 A N -0.087 122.819 122.820 0.143 0.000 2.599 318 A HA 1.012 5.318 4.320 -0.023 0.000 0.290 318 A C -0.102 177.577 177.584 0.157 0.000 1.101 318 A CA 0.181 52.312 52.037 0.157 0.000 0.674 318 A CB 1.569 20.625 19.000 0.092 0.000 1.277 318 A HN 2.102 nan 8.150 nan 0.000 0.419 319 T N -3.203 111.478 114.554 0.212 0.000 2.696 319 T HA 0.603 4.939 4.350 -0.023 0.000 0.291 319 T C 1.248 176.058 174.700 0.183 0.000 1.095 319 T CA 0.261 62.469 62.100 0.181 0.000 1.026 319 T CB 0.908 69.941 68.868 0.274 0.000 1.390 319 T HN 1.805 nan 8.240 nan 0.000 0.513 320 G N -0.289 108.601 108.800 0.150 0.000 2.475 320 G HA2 0.170 4.116 3.960 -0.023 0.000 0.220 320 G HA3 0.170 4.116 3.960 -0.023 0.000 0.220 320 G C 1.089 176.072 174.900 0.138 0.000 1.125 320 G CA 0.701 45.873 45.100 0.120 0.000 0.755 320 G HN 1.287 nan 8.290 nan 0.000 0.565 321 G N -1.410 107.513 108.800 0.205 0.000 3.596 321 G HA2 0.500 4.446 3.960 -0.023 0.000 0.274 321 G HA3 0.500 4.446 3.960 -0.023 0.000 0.274 321 G C -0.484 174.373 174.900 -0.071 0.000 1.007 321 G CA -0.486 44.651 45.100 0.062 0.000 0.825 321 G HN 0.182 nan 8.290 nan 0.000 0.508 322 F N -0.501 119.577 119.950 0.213 0.000 2.613 322 F HA 0.726 5.239 4.527 -0.023 0.000 0.314 322 F C 0.321 176.251 175.800 0.216 0.000 1.075 322 F CA -1.008 57.155 58.000 0.271 0.000 0.945 322 F CB 2.515 41.697 39.000 0.304 0.000 1.310 322 F HN 0.029 nan 8.300 nan 0.000 0.467 323 G N 0.632 109.697 108.800 0.443 0.000 2.732 323 G HA2 0.563 4.510 3.960 -0.023 0.000 0.295 323 G HA3 0.563 4.510 3.960 -0.023 0.000 0.295 323 G C -1.646 173.407 174.900 0.256 0.000 1.456 323 G CA -0.712 44.522 45.100 0.225 0.000 1.050 323 G HN 0.768 nan 8.290 nan 0.000 0.525 324 S N 0.841 116.660 115.700 0.199 0.000 2.595 324 S HA 0.854 5.310 4.470 -0.023 0.000 0.281 324 S C -1.586 173.191 174.600 0.295 0.000 1.117 324 S CA -0.973 57.368 58.200 0.235 0.000 0.873 324 S CB 2.486 65.818 63.200 0.221 0.000 1.108 324 S HN 1.238 nan 8.310 nan 0.000 0.477 325 Y N 0.336 120.727 120.300 0.153 0.000 2.482 325 Y HA 0.638 5.174 4.550 -0.023 0.000 0.334 325 Y C -1.992 174.043 175.900 0.224 0.000 1.091 325 Y CA -0.768 57.438 58.100 0.176 0.000 1.027 325 Y CB 1.631 40.195 38.460 0.174 0.000 1.306 325 Y HN 0.799 nan 8.280 nan 0.000 0.446 326 V N 4.275 123.976 119.914 -0.356 0.000 2.709 326 V HA 0.986 5.092 4.120 -0.023 0.000 0.308 326 V C -0.914 174.914 176.094 -0.444 0.000 1.062 326 V CA -0.273 61.927 62.300 -0.166 0.000 0.901 326 V CB 1.555 33.524 31.823 0.244 0.000 1.003 326 V HN 1.022 nan 8.190 nan 0.000 0.425 327 A N 4.466 127.085 122.820 -0.335 0.000 2.547 327 A HA 1.000 5.306 4.320 -0.023 0.000 0.297 327 A C -1.343 175.953 177.584 -0.481 0.000 1.056 327 A CA -0.489 51.194 52.037 -0.591 0.000 0.688 327 A CB 1.667 20.206 19.000 -0.768 0.000 1.282 327 A HN 1.403 nan 8.150 nan 0.000 0.400 328 F N -0.571 118.924 119.950 -0.757 0.000 2.686 328 F HA 0.855 5.368 4.527 -0.023 0.000 0.311 328 F C -1.244 174.176 175.800 -0.633 0.000 1.128 328 F CA -1.365 56.263 58.000 -0.621 0.000 0.946 328 F CB 1.365 40.072 39.000 -0.488 0.000 1.336 328 F HN 0.315 nan 8.300 nan 0.000 0.457 329 I N 2.142 122.518 120.570 -0.323 0.000 2.466 329 I HA 0.304 4.460 4.170 -0.023 0.000 0.279 329 I C -2.164 173.832 176.117 -0.202 0.000 1.033 329 I CA -1.857 59.212 61.300 -0.384 0.000 1.123 329 I CB 1.840 39.447 38.000 -0.655 0.000 1.237 329 I HN 0.362 nan 8.210 nan 0.000 0.460 330 P HA -0.252 nan 4.420 nan 0.000 0.216 330 P C 1.448 178.679 177.300 -0.114 0.000 1.157 330 P CA 1.389 64.443 63.100 -0.076 0.000 0.880 330 P CB 0.307 31.973 31.700 -0.058 0.000 0.791 331 E N -0.420 119.713 120.200 -0.112 0.000 2.160 331 E HA -0.223 4.113 4.350 -0.023 0.000 0.195 331 E C 1.184 177.719 176.600 -0.109 0.000 0.991 331 E CA 1.094 57.444 56.400 -0.084 0.000 0.810 331 E CB -0.077 29.606 29.700 -0.029 0.000 0.742 331 E HN 0.070 nan 8.360 nan 0.000 0.466 332 K N 0.161 120.456 120.400 -0.176 0.000 2.358 332 K HA 0.039 4.345 4.320 -0.023 0.000 0.197 332 K C 0.017 176.495 176.600 -0.205 0.000 1.025 332 K CA 0.118 56.292 56.287 -0.188 0.000 1.104 332 K CB 0.719 33.069 32.500 -0.251 0.000 0.855 332 K HN 0.063 nan 8.250 nan 0.000 0.531 333 E N 0.467 120.556 120.200 -0.185 0.000 2.476 333 E HA -0.228 4.108 4.350 -0.023 0.000 0.251 333 E C -0.661 175.822 176.600 -0.194 0.000 1.130 333 E CA 0.453 56.742 56.400 -0.185 0.000 0.736 333 E CB -1.648 27.941 29.700 -0.186 0.000 1.298 333 E HN 0.132 nan 8.360 nan 0.000 0.400 334 L N -0.730 120.381 121.223 -0.185 0.000 2.386 334 L HA 0.799 5.125 4.340 -0.023 0.000 0.271 334 L C 0.210 177.006 176.870 -0.123 0.000 0.993 334 L CA 0.326 55.078 54.840 -0.146 0.000 0.819 334 L CB 2.067 44.025 42.059 -0.169 0.000 1.294 334 L HN 0.074 nan 8.230 nan 0.000 0.414 335 G N 4.047 112.808 108.800 -0.064 0.000 2.660 335 G HA2 0.641 4.587 3.960 -0.023 0.000 0.290 335 G HA3 0.641 4.587 3.960 -0.023 0.000 0.290 335 G C -2.204 172.700 174.900 0.007 0.000 1.432 335 G CA -0.441 44.631 45.100 -0.047 0.000 0.807 335 G HN 0.822 nan 8.290 nan 0.000 0.485 336 I N -0.476 120.106 120.570 0.021 0.000 2.841 336 I HA 0.672 4.828 4.170 -0.023 0.000 0.298 336 I C -1.484 174.702 176.117 0.114 0.000 1.304 336 I CA -0.971 60.383 61.300 0.091 0.000 1.019 336 I CB 2.334 40.407 38.000 0.122 0.000 1.282 336 I HN 0.411 nan 8.210 nan 0.000 0.432 337 V N 7.114 127.129 119.914 0.169 0.000 2.577 337 V HA 0.520 4.627 4.120 -0.023 0.000 0.303 337 V C -0.594 175.629 176.094 0.215 0.000 1.042 337 V CA -0.404 62.009 62.300 0.189 0.000 0.872 337 V CB 1.881 33.826 31.823 0.203 0.000 0.998 337 V HN 0.640 nan 8.190 nan 0.000 0.423 338 M N 6.229 125.966 119.600 0.227 0.000 2.142 338 M HA 0.613 5.079 4.480 -0.023 0.000 0.299 338 M C -1.341 175.050 176.300 0.152 0.000 0.960 338 M CA -0.151 55.284 55.300 0.224 0.000 0.920 338 M CB 1.855 34.640 32.600 0.307 0.000 1.541 338 M HN 0.385 nan 8.290 nan 0.000 0.429 339 L N 2.867 124.076 121.223 -0.023 0.000 2.356 339 L HA 0.993 5.319 4.340 -0.023 0.000 0.277 339 L C -0.443 176.255 176.870 -0.286 0.000 0.996 339 L CA -0.730 53.938 54.840 -0.286 0.000 0.822 339 L CB 1.854 43.390 42.059 -0.872 0.000 1.256 339 L HN 0.786 nan 8.230 nan 0.000 0.413 340 A N 1.858 124.775 122.820 0.161 0.000 2.475 340 A HA 0.585 4.891 4.320 -0.023 0.000 0.301 340 A C -0.524 177.450 177.584 0.651 0.000 1.059 340 A CA -0.763 51.529 52.037 0.425 0.000 0.710 340 A CB 1.330 20.573 19.000 0.405 0.000 1.288 340 A HN 0.753 nan 8.150 nan 0.000 0.408 341 N N 1.281 120.304 118.700 0.538 0.000 2.758 341 N HA 0.184 4.910 4.740 -0.023 0.000 0.293 341 N C -0.483 175.027 175.510 0.000 0.000 1.273 341 N CA -0.084 52.973 53.050 0.013 0.000 1.022 341 N CB 0.232 38.696 38.487 -0.038 0.000 1.334 341 N HN 0.603 nan 8.380 nan 0.000 0.519 342 K N 0.260 120.754 120.400 0.158 0.000 2.561 342 K HA 0.199 4.505 4.320 -0.023 0.000 0.254 342 K C -1.750 175.025 176.600 0.291 0.000 0.942 342 K CA -0.662 55.737 56.287 0.187 0.000 0.818 342 K CB 1.253 33.865 32.500 0.188 0.000 1.306 342 K HN 0.009 nan 8.250 nan 0.000 0.435 343 N N 4.049 122.879 118.700 0.217 0.000 2.439 343 N HA 0.136 4.862 4.740 -0.023 0.000 0.243 343 N C -1.408 174.216 175.510 0.191 0.000 1.088 343 N CA -0.086 53.075 53.050 0.185 0.000 0.940 343 N CB -0.010 38.555 38.487 0.129 0.000 1.180 343 N HN 0.458 nan 8.380 nan 0.000 0.505 344 Y N 1.426 121.773 120.300 0.078 0.000 2.528 344 Y HA 0.744 5.280 4.550 -0.024 0.000 0.335 344 Y C -2.421 173.501 175.900 0.037 0.000 1.093 344 Y CA -3.128 55.001 58.100 0.049 0.000 1.134 344 Y CB -0.133 38.352 38.460 0.041 0.000 1.253 344 Y HN 0.310 nan 8.280 nan 0.000 0.478 345 P HA -0.079 nan 4.420 nan 0.000 0.257 345 P C 0.143 177.358 177.300 -0.142 0.000 1.162 345 P CA 0.590 63.674 63.100 -0.026 0.000 0.762 345 P CB 0.579 32.310 31.700 0.051 0.000 0.753 346 N N 5.143 123.747 118.700 -0.159 0.000 2.061 346 N HA -0.155 4.571 4.740 -0.023 0.000 0.193 346 N C -0.827 174.591 175.510 -0.154 0.000 1.030 346 N CA 1.879 54.816 53.050 -0.188 0.000 0.856 346 N CB -1.699 36.708 38.487 -0.133 0.000 1.023 346 N HN 0.442 nan 8.380 nan 0.000 0.424 347 P HA -0.083 nan 4.420 nan 0.000 0.216 347 P C 1.053 178.339 177.300 -0.024 0.000 1.150 347 P CA 1.546 64.611 63.100 -0.057 0.000 0.843 347 P CB -0.062 31.617 31.700 -0.035 0.000 0.787 348 A N -0.161 122.677 122.820 0.029 0.000 1.930 348 A HA -0.199 4.107 4.320 -0.023 0.000 0.217 348 A C 2.190 179.862 177.584 0.146 0.000 1.175 348 A CA 1.370 53.478 52.037 0.118 0.000 0.627 348 A CB -0.904 18.241 19.000 0.241 0.000 0.815 348 A HN 0.110 nan 8.150 nan 0.000 0.443 349 R N -0.581 119.966 120.500 0.079 0.000 2.066 349 R HA -0.060 4.266 4.340 -0.023 0.000 0.232 349 R C 1.989 178.206 176.300 -0.139 0.000 1.131 349 R CA 1.461 57.577 56.100 0.026 0.000 0.955 349 R CB -0.714 29.470 30.300 -0.193 0.000 0.851 349 R HN 0.358 nan 8.270 nan 0.000 0.432 350 V N 1.753 121.481 119.914 -0.310 0.000 2.343 350 V HA -0.256 3.850 4.120 -0.023 0.000 0.247 350 V C 1.945 178.100 176.094 0.102 0.000 1.051 350 V CA 2.190 64.362 62.300 -0.213 0.000 1.036 350 V CB -0.608 31.128 31.823 -0.145 0.000 0.654 350 V HN 0.329 nan 8.190 nan 0.000 0.451 351 D N 0.508 120.952 120.400 0.075 0.000 2.104 351 D HA -0.181 4.445 4.640 -0.023 0.000 0.194 351 D C 2.114 178.547 176.300 0.222 0.000 0.994 351 D CA 1.720 55.807 54.000 0.144 0.000 0.830 351 D CB -0.193 40.658 40.800 0.086 0.000 0.959 351 D HN 0.362 nan 8.370 nan 0.000 0.452 352 A N 0.367 123.289 122.820 0.171 0.000 1.902 352 A HA 0.043 4.350 4.320 -0.023 0.000 0.217 352 A C 2.384 180.103 177.584 0.225 0.000 1.181 352 A CA 2.210 54.344 52.037 0.160 0.000 0.623 352 A CB -1.117 17.951 19.000 0.113 0.000 0.818 352 A HN 0.352 nan 8.150 nan 0.000 0.443 353 A N -1.811 121.201 122.820 0.321 0.000 1.933 353 A HA -0.151 4.155 4.320 -0.023 0.000 0.218 353 A C 1.975 179.869 177.584 0.517 0.000 1.175 353 A CA 1.526 53.836 52.037 0.454 0.000 0.628 353 A CB -0.805 18.640 19.000 0.741 0.000 0.814 353 A HN 0.826 nan 8.150 nan 0.000 0.444 354 W N 0.579 122.094 121.300 0.359 0.000 2.381 354 W HA -0.132 4.514 4.660 -0.024 0.000 0.301 354 W C 2.270 178.914 176.519 0.210 0.000 1.205 354 W CA 1.743 59.260 57.345 0.287 0.000 1.285 354 W CB -0.062 29.434 29.460 0.060 0.000 1.133 354 W HN 0.306 nan 8.180 nan 0.000 0.521 355 Q N 0.337 120.263 119.800 0.210 0.000 2.096 355 Q HA -0.217 4.109 4.340 -0.023 0.000 0.204 355 Q C 2.229 178.184 176.000 -0.074 0.000 0.982 355 Q CA 2.221 58.038 55.803 0.024 0.000 0.850 355 Q CB -0.910 27.894 28.738 0.111 0.000 0.901 355 Q HN 0.465 nan 8.270 nan 0.000 0.422 356 I N 0.169 120.745 120.570 0.011 0.000 2.193 356 I HA -0.261 3.895 4.170 -0.023 0.000 0.240 356 I C 2.295 178.398 176.117 -0.023 0.000 1.084 356 I CA 0.819 62.116 61.300 -0.005 0.000 1.365 356 I CB -0.269 37.753 38.000 0.036 0.000 1.064 356 I HN 0.114 nan 8.210 nan 0.000 0.410 357 L N 0.385 121.620 121.223 0.020 0.000 2.093 357 L HA -0.211 4.115 4.340 -0.023 0.000 0.208 357 L C 2.299 179.124 176.870 -0.074 0.000 1.085 357 L CA 1.344 56.192 54.840 0.012 0.000 0.755 357 L CB -0.820 41.304 42.059 0.108 0.000 0.904 357 L HN 0.352 nan 8.230 nan 0.000 0.435 358 N N 0.617 119.139 118.700 -0.297 0.000 2.166 358 N HA -0.167 4.559 4.740 -0.023 0.000 0.186 358 N C 1.770 177.167 175.510 -0.189 0.000 1.019 358 N CA 1.542 54.355 53.050 -0.396 0.000 0.856 358 N CB 0.001 37.781 38.487 -1.177 0.000 0.993 358 N HN 0.273 nan 8.380 nan 0.000 0.426 359 A N 0.089 122.808 122.820 -0.168 0.000 1.969 359 A HA 0.026 4.332 4.320 -0.023 0.000 0.218 359 A C 2.147 179.718 177.584 -0.022 0.000 1.169 359 A CA 0.895 52.883 52.037 -0.083 0.000 0.635 359 A CB -0.509 18.445 19.000 -0.077 0.000 0.810 359 A HN 0.366 nan 8.150 nan 0.000 0.445 360 L N -0.617 120.608 121.223 0.004 0.000 2.446 360 L HA 0.011 4.338 4.340 -0.023 0.000 0.219 360 L C 1.799 178.763 176.870 0.158 0.000 1.116 360 L CA -0.022 54.874 54.840 0.095 0.000 0.844 360 L CB -0.335 41.806 42.059 0.136 0.000 0.970 360 L HN 0.542 nan 8.230 nan 0.000 0.457 361 Q N 0.000 119.852 119.800 0.086 0.000 2.315 361 Q HA 0.000 4.326 4.340 -0.023 0.000 0.214 361 Q CA 0.000 55.857 55.803 0.090 0.000 1.022 361 Q CB 0.000 28.832 28.738 0.156 0.000 1.108 361 Q HN 0.000 nan 8.270 nan 0.000 0.481