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 3lci_1_D DATA FIRST_RESID 1 DATA SEQUENCE MATNLRGVMA ALLTPFDQQQ ALDKASLRRL VQFNIQQGID GLYVGGSTGE DATA SEQUENCE AFVQSLSERE QVLEIVAEEA KGKIKLIAHV GCVSTAESQQ LAASAKRYGF DATA SEQUENCE DAVSAVTPFY YPFSFEEHCD HYRAIIDSAD GLPMVVYNIP ALSGVKLTLD DATA SEQUENCE QINTLVTLPG VGALKQTSGD LYQMEQIRRE HPDLVLYNGY DEIFASGLLA DATA SEQUENCE GADGGIGSTY NIMGWRYQGI VKALKEGDIQ TAQKLQTECN KVIDLLIKTG DATA SEQUENCE WFRGLKTVLH YMDVVSVPLC RKPFGPVDEK YLPELKALAQ QLMQER VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.315 176.300 0.024 0.000 1.140 1 M CA 0.000 55.315 55.300 0.025 0.000 0.988 1 M CB 0.000 32.612 32.600 0.020 0.000 1.302 2 A N 0.276 123.109 122.820 0.022 0.000 1.930 2 A HA 0.112 4.432 4.320 -0.000 0.000 0.215 2 A C 1.760 179.359 177.584 0.025 0.000 1.176 2 A CA 2.365 54.414 52.037 0.020 0.000 0.632 2 A CB -0.199 18.811 19.000 0.017 0.000 0.819 2 A HN 0.458 nan 8.150 nan 0.000 0.445 3 T N -1.872 112.700 114.554 0.029 0.000 3.092 3 T HA 0.152 4.502 4.350 -0.000 0.000 0.273 3 T C 0.375 175.103 174.700 0.046 0.000 0.898 3 T CA -0.556 61.566 62.100 0.037 0.000 0.868 3 T CB -0.237 68.650 68.868 0.032 0.000 1.228 3 T HN 0.435 nan 8.240 nan 0.000 0.555 4 N N 1.743 120.467 118.700 0.041 0.000 2.492 4 N HA 0.175 4.915 4.740 -0.000 0.000 0.262 4 N C 0.545 176.096 175.510 0.068 0.000 1.202 4 N CA -0.064 53.012 53.050 0.044 0.000 0.926 4 N CB 0.618 39.124 38.487 0.031 0.000 1.078 4 N HN 0.204 nan 8.380 nan 0.000 0.454 5 L N 2.533 123.805 121.223 0.082 0.000 2.591 5 L HA 0.156 4.496 4.340 -0.000 0.000 0.228 5 L C 0.784 177.756 176.870 0.170 0.000 1.133 5 L CA 0.088 55.021 54.840 0.154 0.000 0.880 5 L CB -0.219 41.964 42.059 0.207 0.000 1.033 5 L HN 0.378 nan 8.230 nan 0.000 0.450 6 R N 1.017 121.555 120.500 0.063 0.000 2.679 6 R HA 0.418 4.758 4.340 -0.000 0.000 0.268 6 R C 0.451 176.833 176.300 0.138 0.000 1.044 6 R CA 0.693 56.812 56.100 0.032 0.000 1.105 6 R CB 0.309 30.608 30.300 -0.001 0.000 0.989 6 R HN 0.230 nan 8.270 nan 0.000 0.447 7 G N -0.025 108.889 108.800 0.191 0.000 2.357 7 G HA2 0.053 4.013 3.960 -0.000 0.000 0.289 7 G HA3 0.053 4.013 3.960 -0.000 0.000 0.289 7 G C -1.721 173.355 174.900 0.294 0.000 1.302 7 G CA -1.030 44.199 45.100 0.213 0.000 0.936 7 G HN 0.397 nan 8.290 nan 0.000 0.513 8 V N 1.161 121.209 119.914 0.223 0.000 2.328 8 V HA 0.702 4.822 4.120 -0.000 0.000 0.278 8 V C 0.296 176.514 176.094 0.207 0.000 1.021 8 V CA -0.027 62.401 62.300 0.214 0.000 0.838 8 V CB 0.895 32.736 31.823 0.030 0.000 0.999 8 V HN 0.640 nan 8.190 nan 0.000 0.447 9 M N 4.000 123.767 119.600 0.279 0.000 2.395 9 M HA 0.694 5.174 4.480 -0.000 0.000 0.307 9 M C -0.114 176.272 176.300 0.142 0.000 1.091 9 M CA -0.490 54.915 55.300 0.174 0.000 0.919 9 M CB 2.302 34.933 32.600 0.052 0.000 1.662 9 M HN 0.596 nan 8.290 nan 0.000 0.440 10 A N 2.138 125.045 122.820 0.147 0.000 2.401 10 A HA 0.712 5.032 4.320 -0.000 0.000 0.259 10 A C 0.179 177.729 177.584 -0.056 0.000 1.103 10 A CA -0.521 51.526 52.037 0.017 0.000 0.789 10 A CB 0.235 19.304 19.000 0.115 0.000 1.035 10 A HN 0.903 nan 8.150 nan 0.000 0.491 11 A N 2.947 125.667 122.820 -0.167 0.000 2.376 11 A HA 0.485 4.804 4.320 -0.000 0.000 0.298 11 A C 0.059 177.619 177.584 -0.040 0.000 1.271 11 A CA -0.379 51.622 52.037 -0.060 0.000 0.926 11 A CB -0.440 18.475 19.000 -0.143 0.000 1.141 11 A HN 1.075 nan 8.150 nan 0.000 0.539 12 L N 3.257 124.472 121.223 -0.013 0.000 2.490 12 L HA 0.234 4.574 4.340 -0.000 0.000 0.274 12 L C 0.012 176.817 176.870 -0.108 0.000 1.201 12 L CA 0.588 55.405 54.840 -0.038 0.000 0.869 12 L CB 0.164 42.209 42.059 -0.024 0.000 1.123 12 L HN 0.626 nan 8.230 nan 0.000 0.484 13 L N 3.672 124.827 121.223 -0.115 0.000 2.439 13 L HA 0.428 4.768 4.340 -0.000 0.000 0.259 13 L C 0.274 176.999 176.870 -0.242 0.000 1.129 13 L CA -0.445 54.276 54.840 -0.198 0.000 0.803 13 L CB 1.108 43.079 42.059 -0.146 0.000 1.161 13 L HN 0.547 nan 8.230 nan 0.000 0.462 14 T N 1.994 116.325 114.554 -0.371 0.000 2.893 14 T HA 0.337 4.687 4.350 -0.000 0.000 0.324 14 T C -2.503 171.693 174.700 -0.839 0.000 1.082 14 T CA -1.207 60.583 62.100 -0.517 0.000 0.983 14 T CB 1.198 69.752 68.868 -0.524 0.000 1.005 14 T HN 0.214 nan 8.240 nan 0.000 0.475 15 P HA 0.375 nan 4.420 nan 0.000 0.276 15 P C -0.867 176.137 177.300 -0.492 0.000 1.235 15 P CA -0.284 62.551 63.100 -0.443 0.000 0.772 15 P CB 0.340 31.910 31.700 -0.216 0.000 0.871 16 F N 1.241 121.169 119.950 -0.038 0.000 2.575 16 F HA 0.368 4.895 4.527 0.001 0.000 0.330 16 F C 0.940 176.722 175.800 -0.029 0.000 1.056 16 F CA -0.756 57.228 58.000 -0.028 0.000 0.964 16 F CB 0.729 39.718 39.000 -0.019 0.000 1.258 16 F HN 0.265 nan 8.300 nan 0.000 0.484 17 D N -0.469 120.049 120.400 0.197 0.000 2.507 17 D HA 0.181 4.820 4.640 -0.000 0.000 0.280 17 D C 0.818 177.161 176.300 0.072 0.000 1.219 17 D CA -0.366 53.689 54.000 0.092 0.000 1.085 17 D CB 0.150 40.987 40.800 0.063 0.000 1.134 17 D HN 0.359 nan 8.370 nan 0.000 0.583 18 Q N -1.591 118.231 119.800 0.036 0.000 2.364 18 Q HA -0.096 4.244 4.340 -0.000 0.000 0.207 18 Q C 1.087 177.096 176.000 0.015 0.000 0.970 18 Q CA 1.540 57.356 55.803 0.021 0.000 0.888 18 Q CB -0.125 28.620 28.738 0.012 0.000 0.951 18 Q HN 0.407 nan 8.270 nan 0.000 0.469 19 Q N -0.536 119.273 119.800 0.015 0.000 2.246 19 Q HA 0.175 4.515 4.340 -0.000 0.000 0.202 19 Q C -0.357 175.624 176.000 -0.033 0.000 0.883 19 Q CA 0.115 55.916 55.803 -0.004 0.000 0.952 19 Q CB 0.695 29.433 28.738 -0.000 0.000 1.078 19 Q HN 0.214 nan 8.270 nan 0.000 0.493 20 Q N -2.782 116.995 119.800 -0.038 0.000 2.429 20 Q HA -0.201 4.139 4.340 -0.000 0.000 0.232 20 Q C -0.404 175.464 176.000 -0.220 0.000 0.724 20 Q CA 1.027 56.724 55.803 -0.177 0.000 1.287 20 Q CB -2.113 26.502 28.738 -0.205 0.000 1.429 20 Q HN 0.397 nan 8.270 nan 0.000 0.721 21 A N 0.631 123.443 122.820 -0.014 0.000 2.282 21 A HA 0.626 4.946 4.320 -0.000 0.000 0.319 21 A C 0.177 177.906 177.584 0.242 0.000 1.121 21 A CA -0.482 51.590 52.037 0.058 0.000 0.836 21 A CB 0.622 19.645 19.000 0.039 0.000 1.146 21 A HN 0.235 nan 8.150 nan 0.000 0.494 22 L N 1.100 122.477 121.223 0.255 0.000 2.559 22 L HA 0.095 4.435 4.340 -0.000 0.000 0.274 22 L C -0.104 176.835 176.870 0.114 0.000 1.205 22 L CA 0.495 55.475 54.840 0.234 0.000 0.907 22 L CB 0.088 42.226 42.059 0.133 0.000 1.153 22 L HN 0.630 nan 8.230 nan 0.000 0.490 23 D N 4.372 124.810 120.400 0.063 0.000 2.479 23 D HA 0.113 4.753 4.640 -0.000 0.000 0.218 23 D C 0.812 177.105 176.300 -0.011 0.000 1.131 23 D CA -0.156 53.857 54.000 0.021 0.000 0.916 23 D CB 0.713 41.515 40.800 0.004 0.000 1.022 23 D HN 0.638 nan 8.370 nan 0.000 0.515 24 K N 1.934 122.333 120.400 -0.001 0.000 2.063 24 K HA -0.162 4.158 4.320 -0.000 0.000 0.208 24 K C 1.903 178.492 176.600 -0.018 0.000 1.048 24 K CA 1.515 57.794 56.287 -0.013 0.000 0.928 24 K CB 0.055 32.551 32.500 -0.007 0.000 0.713 24 K HN 0.405 nan 8.250 nan 0.000 0.442 25 A N 1.046 123.859 122.820 -0.011 0.000 1.877 25 A HA -0.171 4.149 4.320 -0.000 0.000 0.216 25 A C 2.230 179.803 177.584 -0.018 0.000 1.186 25 A CA 1.989 54.020 52.037 -0.011 0.000 0.620 25 A CB -0.597 18.401 19.000 -0.005 0.000 0.822 25 A HN 0.199 nan 8.150 nan 0.000 0.443 26 S N -0.559 115.125 115.700 -0.026 0.000 2.383 26 S HA -0.109 4.361 4.470 -0.000 0.000 0.227 26 S C 1.840 176.410 174.600 -0.050 0.000 1.026 26 S CA 1.268 59.443 58.200 -0.041 0.000 0.981 26 S CB -0.408 62.761 63.200 -0.052 0.000 0.818 26 S HN 0.496 nan 8.310 nan 0.000 0.472 27 L N 2.406 123.594 121.223 -0.057 0.000 2.012 27 L HA -0.069 4.271 4.340 -0.000 0.000 0.210 27 L C 2.186 179.038 176.870 -0.030 0.000 1.073 27 L CA 1.742 56.546 54.840 -0.060 0.000 0.748 27 L CB -0.512 41.508 42.059 -0.065 0.000 0.891 27 L HN 0.129 nan 8.230 nan 0.000 0.431 28 R N -0.831 119.657 120.500 -0.021 0.000 2.081 28 R HA -0.119 4.221 4.340 -0.000 0.000 0.235 28 R C 2.392 178.699 176.300 0.011 0.000 1.131 28 R CA 1.548 57.644 56.100 -0.008 0.000 0.960 28 R CB -0.427 29.867 30.300 -0.009 0.000 0.856 28 R HN 0.398 nan 8.270 nan 0.000 0.436 29 R N 0.511 121.016 120.500 0.008 0.000 2.091 29 R HA -0.142 4.198 4.340 -0.000 0.000 0.238 29 R C 2.322 178.661 176.300 0.065 0.000 1.136 29 R CA 1.187 57.303 56.100 0.027 0.000 0.959 29 R CB -0.476 29.820 30.300 -0.006 0.000 0.856 29 R HN 0.105 nan 8.270 nan 0.000 0.437 30 L N 0.762 122.004 121.223 0.032 0.000 2.083 30 L HA -0.141 4.199 4.340 -0.000 0.000 0.209 30 L C 2.051 178.999 176.870 0.131 0.000 1.083 30 L CA 1.539 56.423 54.840 0.074 0.000 0.752 30 L CB -0.335 41.728 42.059 0.007 0.000 0.899 30 L HN -0.086 nan 8.230 nan 0.000 0.433 31 V N -0.500 119.456 119.914 0.071 0.000 2.295 31 V HA -0.276 3.844 4.120 -0.000 0.000 0.246 31 V C 2.664 178.805 176.094 0.078 0.000 1.049 31 V CA 1.693 64.029 62.300 0.060 0.000 1.024 31 V CB -0.677 31.158 31.823 0.019 0.000 0.648 31 V HN 0.500 nan 8.190 nan 0.000 0.447 32 Q N -1.075 118.776 119.800 0.085 0.000 2.119 32 Q HA -0.156 4.184 4.340 -0.000 0.000 0.201 32 Q C 2.059 178.136 176.000 0.127 0.000 0.972 32 Q CA 1.588 57.440 55.803 0.083 0.000 0.847 32 Q CB -0.627 28.154 28.738 0.073 0.000 0.903 32 Q HN 0.649 nan 8.270 nan 0.000 0.433 33 F N 2.363 122.328 119.950 0.025 0.000 2.095 33 F HA -0.189 4.338 4.527 -0.000 0.000 0.298 33 F C 1.869 177.711 175.800 0.069 0.000 1.104 33 F CA 1.291 59.318 58.000 0.046 0.000 1.232 33 F CB -0.253 38.777 39.000 0.050 0.000 0.987 33 F HN 0.108 nan 8.300 nan 0.000 0.475 34 N N 0.740 119.520 118.700 0.133 0.000 2.120 34 N HA -0.177 4.563 4.740 -0.000 0.000 0.188 34 N C 2.118 177.625 175.510 -0.005 0.000 1.024 34 N CA 1.835 54.913 53.050 0.048 0.000 0.852 34 N CB -0.333 38.218 38.487 0.107 0.000 1.003 34 N HN 0.365 nan 8.380 nan 0.000 0.424 35 I N 1.464 122.040 120.570 0.010 0.000 2.226 35 I HA -0.232 3.937 4.170 -0.000 0.000 0.245 35 I C 2.150 178.248 176.117 -0.032 0.000 1.100 35 I CA 0.908 62.207 61.300 -0.002 0.000 1.374 35 I CB -0.171 37.832 38.000 0.005 0.000 1.057 35 I HN 0.078 nan 8.210 nan 0.000 0.413 36 Q N 0.806 120.569 119.800 -0.063 0.000 2.224 36 Q HA -0.211 4.129 4.340 -0.000 0.000 0.203 36 Q C 1.769 177.691 176.000 -0.130 0.000 0.970 36 Q CA 1.171 56.918 55.803 -0.094 0.000 0.865 36 Q CB -0.368 28.309 28.738 -0.102 0.000 0.922 36 Q HN 0.716 nan 8.270 nan 0.000 0.445 37 Q N -0.711 118.992 119.800 -0.161 0.000 2.253 37 Q HA 0.306 4.646 4.340 -0.000 0.000 0.210 37 Q C 0.449 176.457 176.000 0.013 0.000 0.907 37 Q CA 0.391 56.145 55.803 -0.081 0.000 0.948 37 Q CB -0.052 28.674 28.738 -0.020 0.000 1.033 37 Q HN 0.224 nan 8.270 nan 0.000 0.471 38 G N 1.555 110.350 108.800 -0.008 0.000 2.249 38 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.273 38 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.273 38 G C -0.101 174.819 174.900 0.033 0.000 1.036 38 G CA 0.212 45.322 45.100 0.015 0.000 0.824 38 G HN 0.514 nan 8.290 nan 0.000 0.504 39 I N 0.267 120.858 120.570 0.034 0.000 2.696 39 I HA 0.262 4.431 4.170 -0.000 0.000 0.284 39 I C 1.280 177.429 176.117 0.053 0.000 1.129 39 I CA -0.448 60.881 61.300 0.049 0.000 1.410 39 I CB 0.686 38.726 38.000 0.066 0.000 1.399 39 I HN 0.147 nan 8.210 nan 0.000 0.579 40 D N 4.577 125.019 120.400 0.069 0.000 2.224 40 D HA 0.106 4.746 4.640 -0.000 0.000 0.205 40 D C 0.615 176.958 176.300 0.073 0.000 0.965 40 D CA 1.203 55.248 54.000 0.075 0.000 0.852 40 D CB 0.159 41.019 40.800 0.101 0.000 0.947 40 D HN 0.689 nan 8.370 nan 0.000 0.494 41 G N -1.021 107.826 108.800 0.079 0.000 2.428 41 G HA2 0.512 4.471 3.960 -0.000 0.000 0.304 41 G HA3 0.512 4.471 3.960 -0.000 0.000 0.304 41 G C -1.944 172.999 174.900 0.072 0.000 1.303 41 G CA -0.797 44.343 45.100 0.067 0.000 0.825 41 G HN 0.032 nan 8.290 nan 0.000 0.484 42 L N -0.070 121.195 121.223 0.069 0.000 2.386 42 L HA 0.504 4.844 4.340 -0.000 0.000 0.271 42 L C -1.481 175.464 176.870 0.126 0.000 0.993 42 L CA -0.959 53.930 54.840 0.082 0.000 0.819 42 L CB 2.615 44.710 42.059 0.060 0.000 1.294 42 L HN 0.619 nan 8.230 nan 0.000 0.414 43 Y N 3.112 123.383 120.300 -0.049 0.000 2.369 43 Y HA 0.567 5.117 4.550 0.000 0.000 0.337 43 Y C -0.682 175.195 175.900 -0.038 0.000 0.961 43 Y CA -0.630 57.425 58.100 -0.075 0.000 1.186 43 Y CB 1.177 39.512 38.460 -0.207 0.000 1.139 43 Y HN 0.213 nan 8.280 nan 0.000 0.494 44 V N 5.145 124.944 119.914 -0.192 0.000 2.513 44 V HA 0.602 4.722 4.120 -0.000 0.000 0.299 44 V C 0.697 176.648 176.094 -0.239 0.000 1.035 44 V CA -0.257 61.965 62.300 -0.130 0.000 0.889 44 V CB 1.156 33.018 31.823 0.065 0.000 0.988 44 V HN 1.015 nan 8.190 nan 0.000 0.440 45 G N 3.069 111.767 108.800 -0.170 0.000 2.136 45 G HA2 -0.128 3.831 3.960 -0.000 0.000 0.242 45 G HA3 -0.128 3.831 3.960 -0.000 0.000 0.242 45 G C 0.475 175.313 174.900 -0.104 0.000 0.989 45 G CA 0.119 45.134 45.100 -0.141 0.000 0.682 45 G HN 1.338 nan 8.290 nan 0.000 0.522 46 G N -0.565 108.116 108.800 -0.198 0.000 2.510 46 G HA2 0.547 4.507 3.960 -0.000 0.000 0.280 46 G HA3 0.547 4.507 3.960 -0.000 0.000 0.280 46 G C 1.313 176.070 174.900 -0.239 0.000 1.386 46 G CA 0.897 45.847 45.100 -0.249 0.000 1.047 46 G HN 0.638 nan 8.290 nan 0.000 0.527 47 S N -0.801 114.862 115.700 -0.063 0.000 2.370 47 S HA -0.158 4.312 4.470 -0.000 0.000 0.226 47 S C 2.473 176.950 174.600 -0.204 0.000 1.033 47 S CA 1.952 60.182 58.200 0.050 0.000 1.011 47 S CB -0.440 62.916 63.200 0.261 0.000 0.852 47 S HN 0.599 nan 8.310 nan 0.000 0.457 48 T N 1.214 115.591 114.554 -0.295 0.000 2.915 48 T HA -0.011 4.339 4.350 -0.000 0.000 0.269 48 T C 1.758 176.032 174.700 -0.709 0.000 1.071 48 T CA 1.194 62.841 62.100 -0.755 0.000 1.132 48 T CB -0.418 68.284 68.868 -0.278 0.000 0.878 48 T HN 0.553 nan 8.240 nan 0.000 0.479 49 G N 0.415 108.977 108.800 -0.396 0.000 3.088 49 G HA2 0.139 4.099 3.960 -0.000 0.000 0.212 49 G HA3 0.139 4.099 3.960 -0.000 0.000 0.212 49 G C 0.181 174.931 174.900 -0.250 0.000 1.173 49 G CA -0.201 44.716 45.100 -0.305 0.000 0.779 49 G HN 0.563 nan 8.290 nan 0.000 0.540 50 E N -1.504 118.527 120.200 -0.283 0.000 2.476 50 E HA -0.295 4.054 4.350 -0.000 0.000 0.251 50 E C 1.711 178.293 176.600 -0.030 0.000 1.130 50 E CA 0.065 56.431 56.400 -0.056 0.000 0.736 50 E CB -1.369 28.407 29.700 0.127 0.000 1.298 50 E HN 0.515 nan 8.360 nan 0.000 0.400 51 A N -0.240 122.437 122.820 -0.239 0.000 1.978 51 A HA -0.138 4.182 4.320 -0.000 0.000 0.220 51 A C 1.395 178.831 177.584 -0.247 0.000 1.170 51 A CA 1.361 53.212 52.037 -0.310 0.000 0.636 51 A CB -0.334 18.361 19.000 -0.507 0.000 0.810 51 A HN 0.310 nan 8.150 nan 0.000 0.448 52 F N -0.672 119.372 119.950 0.156 0.000 2.811 52 F HA 0.134 4.661 4.527 -0.001 0.000 0.301 52 F C 1.361 177.240 175.800 0.131 0.000 1.151 52 F CA 0.540 58.640 58.000 0.167 0.000 1.412 52 F CB 0.020 39.126 39.000 0.176 0.000 1.113 52 F HN 0.140 nan 8.300 nan 0.000 0.579 53 V N -3.224 116.824 119.914 0.224 0.000 3.078 53 V HA 0.375 4.495 4.120 -0.000 0.000 0.344 53 V C -0.114 176.035 176.094 0.092 0.000 1.409 53 V CA -0.334 62.060 62.300 0.156 0.000 1.146 53 V CB -0.604 31.322 31.823 0.171 0.000 1.126 53 V HN 0.111 nan 8.190 nan 0.000 0.513 54 Q N 1.153 121.009 119.800 0.093 0.000 2.413 54 Q HA 0.686 5.026 4.340 -0.000 0.000 0.276 54 Q C -0.081 175.953 176.000 0.057 0.000 1.099 54 Q CA -0.297 55.545 55.803 0.065 0.000 0.814 54 Q CB 2.758 31.538 28.738 0.069 0.000 1.379 54 Q HN 0.657 nan 8.270 nan 0.000 0.436 55 S N 0.418 116.143 115.700 0.041 0.000 2.681 55 S HA 0.331 4.801 4.470 -0.000 0.000 0.270 55 S C 1.167 175.785 174.600 0.030 0.000 1.209 55 S CA -0.685 57.536 58.200 0.036 0.000 0.988 55 S CB 0.462 63.676 63.200 0.024 0.000 1.006 55 S HN 0.676 nan 8.310 nan 0.000 0.558 56 L N 1.165 122.402 121.223 0.024 0.000 2.017 56 L HA -0.135 4.204 4.340 -0.000 0.000 0.208 56 L C 3.092 179.971 176.870 0.015 0.000 1.073 56 L CA 1.782 56.630 54.840 0.013 0.000 0.745 56 L CB -1.128 40.934 42.059 0.005 0.000 0.894 56 L HN 0.969 nan 8.230 nan 0.000 0.432 57 S N -0.624 115.088 115.700 0.020 0.000 2.382 57 S HA -0.207 4.263 4.470 -0.000 0.000 0.228 57 S C 1.690 176.309 174.600 0.032 0.000 1.027 57 S CA 1.181 59.398 58.200 0.028 0.000 0.991 57 S CB -0.393 62.822 63.200 0.025 0.000 0.823 57 S HN 0.469 nan 8.310 nan 0.000 0.469 58 E N 1.295 121.514 120.200 0.031 0.000 2.072 58 E HA -0.063 4.287 4.350 -0.000 0.000 0.191 58 E C 2.485 179.104 176.600 0.031 0.000 0.985 58 E CA 0.905 57.328 56.400 0.039 0.000 0.801 58 E CB -0.129 29.603 29.700 0.053 0.000 0.750 58 E HN 0.542 nan 8.360 nan 0.000 0.452 59 R N 0.817 121.327 120.500 0.017 0.000 2.092 59 R HA -0.118 4.222 4.340 -0.000 0.000 0.231 59 R C 2.184 178.486 176.300 0.004 0.000 1.119 59 R CA 1.169 57.265 56.100 -0.008 0.000 0.970 59 R CB -0.102 30.178 30.300 -0.033 0.000 0.864 59 R HN 0.219 nan 8.270 nan 0.000 0.440 60 E N 0.582 120.804 120.200 0.037 0.000 2.077 60 E HA -0.250 4.100 4.350 -0.000 0.000 0.193 60 E C 2.068 178.713 176.600 0.076 0.000 0.989 60 E CA 0.948 57.419 56.400 0.118 0.000 0.800 60 E CB -0.011 29.778 29.700 0.149 0.000 0.746 60 E HN 0.343 nan 8.360 nan 0.000 0.452 61 Q N 0.793 120.610 119.800 0.028 0.000 2.096 61 Q HA -0.173 4.167 4.340 -0.000 0.000 0.204 61 Q C 2.232 178.205 176.000 -0.046 0.000 0.982 61 Q CA 1.381 57.172 55.803 -0.019 0.000 0.850 61 Q CB 0.126 28.865 28.738 0.002 0.000 0.901 61 Q HN 0.130 nan 8.270 nan 0.000 0.422 62 V N 1.017 120.919 119.914 -0.020 0.000 2.358 62 V HA -0.279 3.840 4.120 -0.000 0.000 0.246 62 V C 2.367 178.459 176.094 -0.003 0.000 1.047 62 V CA 1.497 63.783 62.300 -0.023 0.000 1.035 62 V CB -0.501 31.306 31.823 -0.027 0.000 0.658 62 V HN 0.414 nan 8.190 nan 0.000 0.452 63 L N -0.158 121.074 121.223 0.015 0.000 2.012 63 L HA -0.260 4.080 4.340 -0.000 0.000 0.210 63 L C 2.610 179.529 176.870 0.081 0.000 1.073 63 L CA 2.314 57.231 54.840 0.127 0.000 0.748 63 L CB -0.572 41.533 42.059 0.076 0.000 0.891 63 L HN 0.466 nan 8.230 nan 0.000 0.431 64 E N 0.665 120.649 120.200 -0.361 0.000 2.047 64 E HA -0.219 4.131 4.350 -0.000 0.000 0.191 64 E C 2.308 178.735 176.600 -0.288 0.000 0.987 64 E CA 1.149 57.116 56.400 -0.721 0.000 0.799 64 E CB -0.013 29.113 29.700 -0.956 0.000 0.752 64 E HN 0.436 nan 8.360 nan 0.000 0.449 65 I N 0.449 120.918 120.570 -0.169 0.000 2.179 65 I HA -0.253 3.917 4.170 -0.000 0.000 0.242 65 I C 2.377 178.452 176.117 -0.070 0.000 1.088 65 I CA 0.728 61.968 61.300 -0.099 0.000 1.357 65 I CB -0.172 37.788 38.000 -0.066 0.000 1.051 65 I HN 0.083 nan 8.210 nan 0.000 0.409 66 V N 1.136 121.031 119.914 -0.031 0.000 2.392 66 V HA -0.323 3.797 4.120 -0.000 0.000 0.249 66 V C 2.698 178.735 176.094 -0.095 0.000 1.059 66 V CA 2.012 64.299 62.300 -0.022 0.000 1.051 66 V CB -1.043 30.815 31.823 0.059 0.000 0.658 66 V HN 0.507 nan 8.190 nan 0.000 0.455 67 A N -0.022 122.727 122.820 -0.119 0.000 1.877 67 A HA -0.239 4.080 4.320 -0.000 0.000 0.216 67 A C 2.159 179.659 177.584 -0.140 0.000 1.186 67 A CA 1.848 53.752 52.037 -0.221 0.000 0.620 67 A CB -0.465 18.457 19.000 -0.130 0.000 0.822 67 A HN 0.646 nan 8.150 nan 0.000 0.443 68 E N -0.277 119.859 120.200 -0.105 0.000 2.077 68 E HA -0.191 4.159 4.350 -0.000 0.000 0.193 68 E C 1.892 178.454 176.600 -0.063 0.000 0.989 68 E CA 1.177 57.532 56.400 -0.075 0.000 0.800 68 E CB -0.164 29.495 29.700 -0.068 0.000 0.746 68 E HN 0.534 nan 8.360 nan 0.000 0.452 69 E N 0.050 120.212 120.200 -0.064 0.000 2.107 69 E HA -0.069 4.281 4.350 -0.000 0.000 0.191 69 E C 1.429 177.999 176.600 -0.050 0.000 0.982 69 E CA 1.127 57.499 56.400 -0.046 0.000 0.809 69 E CB 0.185 29.864 29.700 -0.035 0.000 0.756 69 E HN 0.254 nan 8.360 nan 0.000 0.459 70 A N 0.409 123.183 122.820 -0.077 0.000 2.551 70 A HA 0.112 4.432 4.320 -0.000 0.000 0.252 70 A C 0.804 178.325 177.584 -0.105 0.000 1.199 70 A CA -0.372 51.619 52.037 -0.077 0.000 0.972 70 A CB 0.224 19.182 19.000 -0.069 0.000 1.153 70 A HN -0.038 nan 8.150 nan 0.000 0.559 71 K N 0.401 120.721 120.400 -0.133 0.000 2.484 71 K HA 0.323 4.643 4.320 -0.000 0.000 0.280 71 K C 1.286 177.839 176.600 -0.078 0.000 1.013 71 K CA 1.243 57.448 56.287 -0.137 0.000 1.029 71 K CB -0.015 32.405 32.500 -0.134 0.000 0.902 71 K HN 0.798 nan 8.250 nan 0.000 0.481 72 G N 3.861 112.621 108.800 -0.066 0.000 2.317 72 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.227 72 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.227 72 G C 0.942 175.825 174.900 -0.029 0.000 1.042 72 G CA 0.182 45.259 45.100 -0.038 0.000 0.623 72 G HN 0.605 nan 8.290 nan 0.000 0.509 73 K N 0.490 120.870 120.400 -0.034 0.000 2.067 73 K HA 0.323 4.643 4.320 -0.000 0.000 0.203 73 K C 1.628 178.220 176.600 -0.015 0.000 1.048 73 K CA 1.588 57.861 56.287 -0.022 0.000 0.954 73 K CB -0.040 32.447 32.500 -0.023 0.000 0.737 73 K HN 0.868 nan 8.250 nan 0.000 0.444 74 I N -2.240 118.317 120.570 -0.023 0.000 3.264 74 I HA 0.397 4.567 4.170 -0.000 0.000 0.315 74 I C -0.792 175.317 176.117 -0.014 0.000 1.154 74 I CA -1.312 59.984 61.300 -0.006 0.000 0.962 74 I CB 1.689 39.692 38.000 0.004 0.000 1.265 74 I HN -0.365 nan 8.210 nan 0.000 0.463 75 K N 2.507 122.917 120.400 0.015 0.000 2.295 75 K HA 0.531 4.851 4.320 -0.000 0.000 0.270 75 K C -0.930 175.678 176.600 0.012 0.000 1.011 75 K CA -0.097 56.206 56.287 0.026 0.000 0.953 75 K CB 0.850 33.394 32.500 0.072 0.000 0.956 75 K HN 0.544 nan 8.250 nan 0.000 0.477 76 L N 4.309 125.531 121.223 -0.002 0.000 2.406 76 L HA 0.489 4.829 4.340 -0.000 0.000 0.272 76 L C -0.315 176.707 176.870 0.253 0.000 0.980 76 L CA -0.550 54.291 54.840 0.003 0.000 0.831 76 L CB 1.296 43.099 42.059 -0.426 0.000 1.253 76 L HN 0.398 nan 8.230 nan 0.000 0.406 77 I N 2.863 123.606 120.570 0.288 0.000 2.378 77 I HA 0.536 4.706 4.170 -0.000 0.000 0.291 77 I C 0.205 176.377 176.117 0.091 0.000 0.992 77 I CA -0.465 60.974 61.300 0.232 0.000 1.154 77 I CB 2.026 40.137 38.000 0.185 0.000 1.315 77 I HN 0.617 nan 8.210 nan 0.000 0.448 78 A N 5.915 128.686 122.820 -0.081 0.000 2.260 78 A HA 0.290 4.609 4.320 -0.000 0.000 0.314 78 A C -0.416 176.949 177.584 -0.366 0.000 1.257 78 A CA -0.405 51.351 52.037 -0.469 0.000 0.871 78 A CB 0.130 18.530 19.000 -1.000 0.000 1.166 78 A HN 0.809 nan 8.150 nan 0.000 0.522 79 H N 3.665 122.431 119.070 -0.507 0.000 2.782 79 H HA 0.300 4.856 4.556 -0.000 0.000 0.285 79 H C 0.397 175.603 175.328 -0.203 0.000 1.093 79 H CA 0.441 56.275 56.048 -0.358 0.000 1.410 79 H CB 1.283 30.790 29.762 -0.425 0.000 1.439 79 H HN 0.528 nan 8.280 nan 0.000 0.469 80 V N 2.555 122.122 119.914 -0.578 0.000 3.578 80 V HA 0.381 4.500 4.120 -0.000 0.000 0.290 80 V C 1.124 176.971 176.094 -0.412 0.000 1.376 80 V CA 0.113 62.160 62.300 -0.422 0.000 1.083 80 V CB -0.063 31.595 31.823 -0.275 0.000 0.911 80 V HN 0.684 nan 8.190 nan 0.000 0.433 81 G N -0.065 108.313 108.800 -0.703 0.000 2.380 81 G HA2 0.400 4.360 3.960 -0.000 0.000 0.242 81 G HA3 0.400 4.360 3.960 -0.000 0.000 0.242 81 G C -0.302 174.701 174.900 0.170 0.000 1.298 81 G CA 0.508 45.507 45.100 -0.169 0.000 0.878 81 G HN 0.557 nan 8.290 nan 0.000 0.542 82 C N 0.853 120.266 119.300 0.188 0.000 3.213 82 C HA 0.380 4.840 4.460 -0.000 0.000 0.319 82 C C 1.667 176.661 174.990 0.007 0.000 1.386 82 C CA -0.543 58.596 59.018 0.201 0.000 1.494 82 C CB 1.419 29.222 27.740 0.104 0.000 1.905 82 C HN 0.532 nan 8.230 nan 0.000 0.456 83 V N 1.185 120.989 119.914 -0.185 0.000 2.379 83 V HA -0.068 4.052 4.120 -0.000 0.000 0.245 83 V C 1.357 177.354 176.094 -0.162 0.000 1.044 83 V CA 2.032 64.128 62.300 -0.341 0.000 1.036 83 V CB -0.305 31.296 31.823 -0.371 0.000 0.664 83 V HN 0.887 nan 8.190 nan 0.000 0.453 84 S N -0.316 115.352 115.700 -0.054 0.000 2.528 84 S HA 0.038 4.508 4.470 -0.000 0.000 0.277 84 S C 1.322 175.940 174.600 0.029 0.000 1.297 84 S CA 0.157 58.341 58.200 -0.025 0.000 1.052 84 S CB 1.309 64.501 63.200 -0.012 0.000 0.917 84 S HN 0.456 nan 8.310 nan 0.000 0.492 85 T N 5.171 119.738 114.554 0.022 0.000 2.777 85 T HA -0.038 4.311 4.350 -0.000 0.000 0.266 85 T C 2.145 176.783 174.700 -0.103 0.000 1.040 85 T CA 1.465 63.546 62.100 -0.032 0.000 1.141 85 T CB -0.594 68.242 68.868 -0.053 0.000 0.868 85 T HN 0.812 nan 8.240 nan 0.000 0.444 86 A N 1.750 124.527 122.820 -0.072 0.000 1.902 86 A HA -0.157 4.163 4.320 -0.000 0.000 0.217 86 A C 2.197 179.741 177.584 -0.067 0.000 1.181 86 A CA 1.645 53.640 52.037 -0.071 0.000 0.623 86 A CB -0.523 18.445 19.000 -0.053 0.000 0.818 86 A HN 0.580 nan 8.150 nan 0.000 0.443 87 E N -0.052 120.119 120.200 -0.048 0.000 2.072 87 E HA -0.112 4.238 4.350 -0.000 0.000 0.191 87 E C 2.292 178.853 176.600 -0.066 0.000 0.985 87 E CA 1.278 57.654 56.400 -0.041 0.000 0.801 87 E CB -0.196 29.497 29.700 -0.012 0.000 0.750 87 E HN 0.588 nan 8.360 nan 0.000 0.452 88 S N 1.274 116.925 115.700 -0.080 0.000 2.383 88 S HA -0.212 4.258 4.470 -0.000 0.000 0.229 88 S C 1.946 176.453 174.600 -0.156 0.000 1.030 88 S CA 1.094 59.215 58.200 -0.131 0.000 1.002 88 S CB -0.199 62.888 63.200 -0.189 0.000 0.829 88 S HN 0.277 nan 8.310 nan 0.000 0.467 89 Q N 0.757 120.468 119.800 -0.149 0.000 2.124 89 Q HA -0.180 4.160 4.340 -0.000 0.000 0.202 89 Q C 2.439 178.369 176.000 -0.117 0.000 0.977 89 Q CA 1.264 56.986 55.803 -0.136 0.000 0.850 89 Q CB -0.196 28.470 28.738 -0.121 0.000 0.901 89 Q HN 0.618 nan 8.270 nan 0.000 0.429 90 Q N 0.771 120.510 119.800 -0.102 0.000 2.050 90 Q HA -0.174 4.166 4.340 -0.000 0.000 0.202 90 Q C 2.080 178.009 176.000 -0.117 0.000 0.980 90 Q CA 1.077 56.823 55.803 -0.095 0.000 0.840 90 Q CB -0.037 28.659 28.738 -0.070 0.000 0.898 90 Q HN 0.394 nan 8.270 nan 0.000 0.424 91 L N 0.278 121.429 121.223 -0.121 0.000 2.083 91 L HA -0.164 4.176 4.340 -0.000 0.000 0.209 91 L C 2.608 179.366 176.870 -0.187 0.000 1.083 91 L CA 0.865 55.617 54.840 -0.147 0.000 0.752 91 L CB -0.672 41.296 42.059 -0.151 0.000 0.899 91 L HN 0.319 nan 8.230 nan 0.000 0.433 92 A N 0.314 123.031 122.820 -0.171 0.000 1.883 92 A HA -0.208 4.112 4.320 -0.000 0.000 0.217 92 A C 2.552 180.042 177.584 -0.157 0.000 1.186 92 A CA 1.875 53.814 52.037 -0.162 0.000 0.624 92 A CB -0.743 18.175 19.000 -0.137 0.000 0.822 92 A HN 0.398 nan 8.150 nan 0.000 0.444 93 A N -0.773 121.957 122.820 -0.149 0.000 1.933 93 A HA -0.063 4.257 4.320 -0.000 0.000 0.218 93 A C 2.430 179.882 177.584 -0.221 0.000 1.175 93 A CA 2.090 54.038 52.037 -0.149 0.000 0.628 93 A CB -0.781 18.145 19.000 -0.124 0.000 0.814 93 A HN 0.456 nan 8.150 nan 0.000 0.444 94 S N -0.266 115.262 115.700 -0.286 0.000 2.368 94 S HA 0.016 4.486 4.470 -0.000 0.000 0.224 94 S C 2.319 176.553 174.600 -0.609 0.000 1.029 94 S CA 1.023 58.903 58.200 -0.533 0.000 0.988 94 S CB -0.426 62.516 63.200 -0.431 0.000 0.838 94 S HN 0.795 nan 8.310 nan 0.000 0.462 95 A N 1.792 124.410 122.820 -0.336 0.000 1.908 95 A HA -0.177 4.143 4.320 -0.000 0.000 0.218 95 A C 2.020 179.601 177.584 -0.006 0.000 1.181 95 A CA 1.926 53.822 52.037 -0.235 0.000 0.627 95 A CB -0.512 18.280 19.000 -0.347 0.000 0.818 95 A HN 0.490 nan 8.150 nan 0.000 0.445 96 K N -0.673 119.684 120.400 -0.073 0.000 2.097 96 K HA -0.115 4.205 4.320 -0.000 0.000 0.205 96 K C 2.292 178.882 176.600 -0.017 0.000 1.050 96 K CA 1.286 57.567 56.287 -0.009 0.000 0.938 96 K CB -0.176 32.300 32.500 -0.039 0.000 0.718 96 K HN 0.401 nan 8.250 nan 0.000 0.442 97 R N -0.647 119.771 120.500 -0.138 0.000 2.096 97 R HA -0.127 4.213 4.340 -0.000 0.000 0.235 97 R C 1.562 177.868 176.300 0.011 0.000 1.127 97 R CA 1.484 57.502 56.100 -0.137 0.000 0.968 97 R CB -0.104 30.018 30.300 -0.297 0.000 0.861 97 R HN 0.258 nan 8.270 nan 0.000 0.440 98 Y N -0.850 119.522 120.300 0.120 0.000 2.583 98 Y HA 0.232 4.782 4.550 -0.001 0.000 0.293 98 Y C 1.474 177.455 175.900 0.135 0.000 1.157 98 Y CA 0.513 58.709 58.100 0.160 0.000 1.315 98 Y CB 0.044 38.676 38.460 0.287 0.000 1.021 98 Y HN 0.327 nan 8.280 nan 0.000 0.536 99 G N -0.865 108.092 108.800 0.261 0.000 2.140 99 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.211 99 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.211 99 G C -0.106 174.853 174.900 0.097 0.000 1.013 99 G CA -0.558 44.622 45.100 0.134 0.000 0.705 99 G HN 0.131 nan 8.290 nan 0.000 0.508 100 F N 0.865 120.848 119.950 0.054 0.000 2.450 100 F HA 0.320 4.847 4.527 -0.000 0.000 0.339 100 F C 1.662 177.479 175.800 0.029 0.000 1.146 100 F CA 0.173 58.197 58.000 0.039 0.000 1.267 100 F CB 0.597 39.616 39.000 0.031 0.000 1.178 100 F HN 0.051 nan 8.300 nan 0.000 0.585 101 D N 0.906 121.411 120.400 0.174 0.000 2.289 101 D HA 0.202 4.842 4.640 -0.000 0.000 0.207 101 D C 0.336 176.720 176.300 0.140 0.000 0.966 101 D CA 0.813 54.886 54.000 0.121 0.000 0.868 101 D CB 0.389 41.241 40.800 0.087 0.000 0.943 101 D HN 0.414 nan 8.370 nan 0.000 0.514 102 A N 0.137 123.068 122.820 0.185 0.000 2.586 102 A HA 0.540 4.859 4.320 -0.000 0.000 0.290 102 A C -1.066 176.582 177.584 0.108 0.000 1.086 102 A CA -0.669 51.452 52.037 0.139 0.000 0.665 102 A CB 1.332 20.422 19.000 0.149 0.000 1.279 102 A HN -0.037 nan 8.150 nan 0.000 0.423 103 V N -2.128 117.826 119.914 0.067 0.000 3.074 103 V HA 1.004 5.124 4.120 -0.000 0.000 0.314 103 V C -0.187 175.951 176.094 0.072 0.000 1.117 103 V CA -0.225 62.078 62.300 0.004 0.000 1.014 103 V CB 1.481 33.283 31.823 -0.036 0.000 1.057 103 V HN 1.761 nan 8.190 nan 0.000 0.438 104 S N 0.449 116.183 115.700 0.058 0.000 2.570 104 S HA 0.921 5.391 4.470 -0.000 0.000 0.270 104 S C -0.935 173.803 174.600 0.231 0.000 1.149 104 S CA 0.097 58.435 58.200 0.230 0.000 0.837 104 S CB 1.733 65.147 63.200 0.357 0.000 1.124 104 S HN 2.350 nan 8.310 nan 0.000 0.465 105 A N 2.072 125.169 122.820 0.463 0.000 2.488 105 A HA 0.686 5.006 4.320 -0.000 0.000 0.295 105 A C -0.666 177.327 177.584 0.681 0.000 1.045 105 A CA -0.505 51.776 52.037 0.408 0.000 0.703 105 A CB 1.302 20.376 19.000 0.125 0.000 1.271 105 A HN 1.195 nan 8.150 nan 0.000 0.400 106 V N 2.571 122.954 119.914 0.782 0.000 2.775 106 V HA 0.506 4.625 4.120 -0.000 0.000 0.299 106 V C 0.968 177.259 176.094 0.328 0.000 1.062 106 V CA 0.620 63.178 62.300 0.429 0.000 1.063 106 V CB 1.328 33.329 31.823 0.296 0.000 0.994 106 V HN 1.378 nan 8.190 nan 0.000 0.483 107 T N 6.492 121.196 114.554 0.251 0.000 2.831 107 T HA 0.186 4.536 4.350 -0.000 0.000 0.291 107 T C -2.320 172.522 174.700 0.236 0.000 0.981 107 T CA -0.926 61.303 62.100 0.215 0.000 1.174 107 T CB 0.387 69.304 68.868 0.081 0.000 0.929 107 T HN 0.740 nan 8.240 nan 0.000 0.532 108 P HA 0.089 nan 4.420 nan 0.000 0.264 108 P C -0.374 177.077 177.300 0.252 0.000 1.183 108 P CA -0.087 62.961 63.100 -0.087 0.000 0.763 108 P CB 0.135 31.489 31.700 -0.577 0.000 0.807 109 F N 1.431 121.491 119.950 0.182 0.000 2.629 109 F HA 0.539 5.066 4.527 -0.000 0.000 0.386 109 F C 1.602 177.478 175.800 0.127 0.000 1.135 109 F CA -1.294 56.778 58.000 0.121 0.000 1.116 109 F CB -0.364 38.619 39.000 -0.027 0.000 1.426 109 F HN 0.412 nan 8.300 nan 0.000 0.501 110 Y N -1.230 119.155 120.300 0.142 0.000 2.739 110 Y HA -0.374 4.176 4.550 0.001 0.000 0.479 110 Y C -0.430 175.296 175.900 -0.291 0.000 1.139 110 Y CA 1.482 59.504 58.100 -0.130 0.000 2.846 110 Y CB -1.758 36.518 38.460 -0.308 0.000 1.043 110 Y HN 0.533 nan 8.280 nan 0.000 0.581 111 Y N 3.581 123.783 120.300 -0.163 0.000 2.309 111 Y HA 0.420 4.969 4.550 -0.001 0.000 0.327 111 Y C -1.992 173.408 175.900 -0.833 0.000 1.172 111 Y CA -2.264 55.515 58.100 -0.535 0.000 1.280 111 Y CB -0.018 38.032 38.460 -0.683 0.000 1.234 111 Y HN -0.036 nan 8.280 nan 0.000 0.512 112 P HA 0.176 nan 4.420 nan 0.000 0.287 112 P C -1.233 175.795 177.300 -0.454 0.000 1.307 112 P CA -0.019 62.884 63.100 -0.328 0.000 0.777 112 P CB 0.221 31.826 31.700 -0.159 0.000 0.883 113 F N 0.629 120.572 119.950 -0.012 0.000 2.492 113 F HA 0.414 4.941 4.527 -0.001 0.000 0.327 113 F C 1.279 177.035 175.800 -0.073 0.000 1.079 113 F CA -0.678 57.223 58.000 -0.165 0.000 0.967 113 F CB 1.107 39.809 39.000 -0.496 0.000 1.169 113 F HN 0.185 nan 8.300 nan 0.000 0.472 114 S N 1.723 117.511 115.700 0.148 0.000 2.608 114 S HA 0.110 4.580 4.470 -0.000 0.000 0.261 114 S C 0.836 175.605 174.600 0.281 0.000 1.314 114 S CA -0.414 57.898 58.200 0.186 0.000 0.992 114 S CB 0.309 63.586 63.200 0.127 0.000 0.935 114 S HN 0.598 nan 8.310 nan 0.000 0.564 115 F N 0.931 121.009 119.950 0.214 0.000 2.216 115 F HA -0.003 4.524 4.527 0.000 0.000 0.300 115 F C 2.364 178.284 175.800 0.201 0.000 1.085 115 F CA 1.856 60.013 58.000 0.263 0.000 1.326 115 F CB -0.496 38.602 39.000 0.164 0.000 1.027 115 F HN 0.928 nan 8.300 nan 0.000 0.497 116 E N 0.115 120.313 120.200 -0.002 0.000 2.106 116 E HA -0.219 4.131 4.350 -0.000 0.000 0.192 116 E C 1.938 178.465 176.600 -0.120 0.000 0.984 116 E CA 1.456 57.791 56.400 -0.109 0.000 0.806 116 E CB -0.144 29.559 29.700 0.004 0.000 0.750 116 E HN 0.601 nan 8.360 nan 0.000 0.458 117 E N -0.598 119.552 120.200 -0.084 0.000 2.152 117 E HA -0.155 4.195 4.350 -0.000 0.000 0.192 117 E C 2.097 178.572 176.600 -0.209 0.000 0.983 117 E CA 0.584 56.894 56.400 -0.150 0.000 0.818 117 E CB -0.039 29.572 29.700 -0.149 0.000 0.758 117 E HN 0.396 nan 8.360 nan 0.000 0.467 118 H N -0.089 118.925 119.070 -0.094 0.000 2.357 118 H HA -0.068 4.488 4.556 -0.000 0.000 0.301 118 H C 2.331 177.676 175.328 0.028 0.000 1.082 118 H CA 1.079 57.100 56.048 -0.045 0.000 1.342 118 H CB -0.294 29.518 29.762 0.083 0.000 1.389 118 H HN 0.268 nan 8.280 nan 0.000 0.511 119 C N 0.886 120.156 119.300 -0.050 0.000 2.432 119 C HA -0.108 4.352 4.460 -0.000 0.000 0.277 119 C C 2.427 177.435 174.990 0.030 0.000 1.249 119 C CA 0.752 59.742 59.018 -0.047 0.000 1.725 119 C CB -0.521 27.049 27.740 -0.282 0.000 2.028 119 C HN 0.543 nan 8.230 nan 0.000 0.477 120 D N -0.661 119.721 120.400 -0.030 0.000 2.178 120 D HA -0.125 4.515 4.640 -0.000 0.000 0.201 120 D C 1.741 178.026 176.300 -0.025 0.000 0.980 120 D CA 1.423 55.404 54.000 -0.032 0.000 0.842 120 D CB -0.601 40.164 40.800 -0.058 0.000 0.948 120 D HN 0.663 nan 8.370 nan 0.000 0.472 121 H N -0.399 118.578 119.070 -0.155 0.000 2.293 121 H HA -0.173 4.383 4.556 -0.000 0.000 0.300 121 H C 1.755 176.968 175.328 -0.191 0.000 1.082 121 H CA 1.751 57.657 56.048 -0.237 0.000 1.308 121 H CB -0.364 29.181 29.762 -0.362 0.000 1.375 121 H HN 0.102 nan 8.280 nan 0.000 0.495 122 Y N 0.648 120.952 120.300 0.008 0.000 2.165 122 Y HA -0.163 4.387 4.550 0.000 0.000 0.286 122 Y C 2.815 178.669 175.900 -0.077 0.000 1.155 122 Y CA 1.672 59.750 58.100 -0.037 0.000 1.164 122 Y CB -0.233 38.248 38.460 0.034 0.000 0.978 122 Y HN 0.171 nan 8.280 nan 0.000 0.513 123 R N -0.428 120.121 120.500 0.082 0.000 2.081 123 R HA -0.179 4.161 4.340 -0.000 0.000 0.235 123 R C 2.510 178.790 176.300 -0.035 0.000 1.131 123 R CA 1.195 57.307 56.100 0.020 0.000 0.960 123 R CB -0.733 29.569 30.300 0.004 0.000 0.856 123 R HN 0.341 nan 8.270 nan 0.000 0.436 124 A N 1.372 124.142 122.820 -0.084 0.000 1.902 124 A HA -0.153 4.166 4.320 -0.000 0.000 0.217 124 A C 2.174 179.676 177.584 -0.136 0.000 1.181 124 A CA 1.313 53.280 52.037 -0.117 0.000 0.623 124 A CB -0.499 18.408 19.000 -0.154 0.000 0.818 124 A HN 0.189 nan 8.150 nan 0.000 0.443 125 I N -0.525 119.931 120.570 -0.191 0.000 2.252 125 I HA -0.233 3.937 4.170 -0.000 0.000 0.245 125 I C 2.304 178.370 176.117 -0.084 0.000 1.102 125 I CA 1.175 62.369 61.300 -0.176 0.000 1.385 125 I CB -0.381 37.474 38.000 -0.241 0.000 1.064 125 I HN 0.289 nan 8.210 nan 0.000 0.414 126 I N 0.748 121.298 120.570 -0.033 0.000 2.163 126 I HA -0.364 3.806 4.170 -0.000 0.000 0.243 126 I C 2.489 178.592 176.117 -0.023 0.000 1.085 126 I CA 1.625 62.923 61.300 -0.004 0.000 1.347 126 I CB -0.537 37.477 38.000 0.023 0.000 1.044 126 I HN 0.382 nan 8.210 nan 0.000 0.408 127 D N 0.808 121.188 120.400 -0.035 0.000 2.106 127 D HA -0.197 4.443 4.640 -0.000 0.000 0.191 127 D C 2.084 178.357 176.300 -0.046 0.000 0.997 127 D CA 1.951 55.928 54.000 -0.037 0.000 0.834 127 D CB 0.085 40.859 40.800 -0.044 0.000 0.956 127 D HN 0.228 nan 8.370 nan 0.000 0.448 128 S N -0.172 115.490 115.700 -0.064 0.000 2.474 128 S HA 0.032 4.502 4.470 -0.000 0.000 0.235 128 S C 1.882 176.442 174.600 -0.067 0.000 0.997 128 S CA 0.666 58.823 58.200 -0.071 0.000 0.949 128 S CB 0.044 63.188 63.200 -0.093 0.000 0.766 128 S HN 0.458 nan 8.310 nan 0.000 0.517 129 A N 1.172 123.960 122.820 -0.054 0.000 2.119 129 A HA 0.086 4.406 4.320 -0.000 0.000 0.216 129 A C 0.825 178.393 177.584 -0.026 0.000 1.152 129 A CA 0.508 52.519 52.037 -0.042 0.000 0.708 129 A CB -0.401 18.585 19.000 -0.023 0.000 0.805 129 A HN 0.362 nan 8.150 nan 0.000 0.460 130 D N -2.091 118.293 120.400 -0.026 0.000 2.755 130 D HA -0.099 4.541 4.640 -0.000 0.000 0.227 130 D C 1.029 177.326 176.300 -0.006 0.000 1.211 130 D CA 1.955 55.944 54.000 -0.018 0.000 0.663 130 D CB -1.340 39.445 40.800 -0.025 0.000 0.983 130 D HN 1.148 nan 8.370 nan 0.000 0.407 131 G N -0.902 107.899 108.800 0.002 0.000 2.339 131 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.209 131 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.209 131 G C 0.075 174.988 174.900 0.022 0.000 1.015 131 G CA -0.117 44.990 45.100 0.011 0.000 0.635 131 G HN 0.454 nan 8.290 nan 0.000 0.499 132 L N 3.538 124.776 121.223 0.025 0.000 2.418 132 L HA 0.443 4.783 4.340 -0.000 0.000 0.274 132 L C -1.678 175.219 176.870 0.045 0.000 1.135 132 L CA -1.289 53.577 54.840 0.043 0.000 0.870 132 L CB 0.337 42.424 42.059 0.048 0.000 1.154 132 L HN 0.004 nan 8.230 nan 0.000 0.462 133 P HA 0.081 nan 4.420 nan 0.000 0.267 133 P C -0.582 176.762 177.300 0.074 0.000 1.200 133 P CA -0.283 62.852 63.100 0.058 0.000 0.772 133 P CB 0.494 32.232 31.700 0.064 0.000 0.855 134 M N 3.786 123.429 119.600 0.072 0.000 2.300 134 M HA 0.327 4.807 4.480 -0.000 0.000 0.348 134 M C -1.462 174.908 176.300 0.116 0.000 1.151 134 M CA -0.347 55.013 55.300 0.100 0.000 1.046 134 M CB 1.005 33.668 32.600 0.105 0.000 1.647 134 M HN -0.045 nan 8.290 nan 0.000 0.451 135 V N 6.359 126.377 119.914 0.173 0.000 2.311 135 V HA 0.348 4.468 4.120 -0.000 0.000 0.275 135 V C -0.245 175.983 176.094 0.223 0.000 1.022 135 V CA -0.915 61.506 62.300 0.202 0.000 0.830 135 V CB 0.777 32.764 31.823 0.273 0.000 1.012 135 V HN 0.749 nan 8.190 nan 0.000 0.452 136 V N 5.147 125.129 119.914 0.113 0.000 2.740 136 V HA 0.059 4.179 4.120 -0.000 0.000 0.303 136 V C -0.224 176.032 176.094 0.271 0.000 1.054 136 V CA 0.007 62.353 62.300 0.076 0.000 1.106 136 V CB 0.563 32.284 31.823 -0.170 0.000 0.957 136 V HN 0.728 nan 8.190 nan 0.000 0.486 137 Y N 5.190 125.633 120.300 0.237 0.000 2.555 137 Y HA 0.435 4.984 4.550 -0.000 0.000 0.326 137 Y C -0.091 175.905 175.900 0.161 0.000 0.984 137 Y CA -2.044 56.182 58.100 0.211 0.000 1.298 137 Y CB 0.914 39.568 38.460 0.322 0.000 1.094 137 Y HN 0.747 nan 8.280 nan 0.000 0.500 138 N N 6.191 125.096 118.700 0.341 0.000 2.439 138 N HA 0.300 5.040 4.740 -0.000 0.000 0.249 138 N C -1.149 174.399 175.510 0.063 0.000 1.003 138 N CA -0.052 53.078 53.050 0.133 0.000 0.942 138 N CB 0.337 38.875 38.487 0.085 0.000 1.115 138 N HN 0.714 nan 8.380 nan 0.000 0.505 139 I N 6.068 126.599 120.570 -0.065 0.000 2.854 139 I HA 0.321 4.491 4.170 -0.000 0.000 0.280 139 I C -1.833 174.229 176.117 -0.092 0.000 1.482 139 I CA -1.783 59.448 61.300 -0.115 0.000 0.884 139 I CB 1.338 39.198 38.000 -0.234 0.000 1.600 139 I HN 0.437 nan 8.210 nan 0.000 0.585 140 P HA -0.234 nan 4.420 nan 0.000 0.216 140 P C 1.454 178.746 177.300 -0.015 0.000 1.150 140 P CA 1.908 64.998 63.100 -0.016 0.000 0.843 140 P CB 0.224 31.930 31.700 0.010 0.000 0.787 141 A N 0.028 122.856 122.820 0.014 0.000 1.892 141 A HA -0.173 4.147 4.320 -0.000 0.000 0.218 141 A C 2.430 179.995 177.584 -0.032 0.000 1.188 141 A CA 1.878 53.930 52.037 0.025 0.000 0.631 141 A CB -1.447 17.619 19.000 0.108 0.000 0.822 141 A HN 0.204 nan 8.150 nan 0.000 0.447 142 L N -0.783 120.394 121.223 -0.077 0.000 2.316 142 L HA -0.024 4.316 4.340 -0.000 0.000 0.207 142 L C 2.886 179.632 176.870 -0.207 0.000 1.070 142 L CA 1.070 55.826 54.840 -0.140 0.000 0.820 142 L CB -0.278 41.686 42.059 -0.158 0.000 0.992 142 L HN 0.560 nan 8.230 nan 0.000 0.466 143 S N -0.234 115.357 115.700 -0.181 0.000 2.414 143 S HA 0.001 4.471 4.470 -0.000 0.000 0.227 143 S C 1.684 176.269 174.600 -0.026 0.000 1.022 143 S CA 0.797 58.922 58.200 -0.125 0.000 0.958 143 S CB -0.031 63.141 63.200 -0.046 0.000 0.797 143 S HN 0.511 nan 8.310 nan 0.000 0.493 144 G N 0.145 108.925 108.800 -0.032 0.000 2.143 144 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.249 144 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.249 144 G C -0.035 174.874 174.900 0.015 0.000 0.981 144 G CA 0.091 45.182 45.100 -0.014 0.000 0.665 144 G HN 0.848 nan 8.290 nan 0.000 0.528 145 V N 1.082 121.010 119.914 0.024 0.000 2.350 145 V HA 0.438 4.558 4.120 -0.000 0.000 0.276 145 V C 0.344 176.444 176.094 0.009 0.000 1.028 145 V CA -0.537 61.784 62.300 0.035 0.000 0.860 145 V CB 1.497 33.334 31.823 0.024 0.000 0.990 145 V HN 0.281 nan 8.190 nan 0.000 0.453 146 K N 6.293 126.701 120.400 0.014 0.000 2.334 146 K HA 0.570 4.890 4.320 -0.000 0.000 0.265 146 K C -0.942 175.652 176.600 -0.010 0.000 1.039 146 K CA -0.368 55.920 56.287 0.002 0.000 0.920 146 K CB 1.361 33.863 32.500 0.004 0.000 1.160 146 K HN 0.532 nan 8.250 nan 0.000 0.451 147 L N 2.543 123.753 121.223 -0.022 0.000 2.334 147 L HA 0.276 4.616 4.340 -0.000 0.000 0.277 147 L C 1.107 177.929 176.870 -0.080 0.000 1.075 147 L CA -0.680 54.126 54.840 -0.058 0.000 0.804 147 L CB 1.198 43.235 42.059 -0.036 0.000 1.174 147 L HN 0.660 nan 8.230 nan 0.000 0.438 148 T N -0.993 113.480 114.554 -0.134 0.000 2.788 148 T HA 0.141 4.491 4.350 -0.000 0.000 0.287 148 T C 0.907 175.536 174.700 -0.119 0.000 1.007 148 T CA -0.688 61.341 62.100 -0.118 0.000 1.005 148 T CB 1.081 69.867 68.868 -0.137 0.000 1.012 148 T HN 0.475 nan 8.240 nan 0.000 0.530 149 L N 0.407 121.570 121.223 -0.100 0.000 2.046 149 L HA -0.003 4.337 4.340 -0.000 0.000 0.208 149 L C 2.039 178.865 176.870 -0.073 0.000 1.077 149 L CA 1.882 56.671 54.840 -0.085 0.000 0.747 149 L CB -1.161 40.836 42.059 -0.104 0.000 0.896 149 L HN 0.706 nan 8.230 nan 0.000 0.432 150 D N -0.698 119.645 120.400 -0.096 0.000 2.117 150 D HA -0.212 4.427 4.640 -0.000 0.000 0.197 150 D C 2.124 178.348 176.300 -0.127 0.000 0.987 150 D CA 1.449 55.398 54.000 -0.085 0.000 0.829 150 D CB -0.020 40.726 40.800 -0.091 0.000 0.961 150 D HN 0.570 nan 8.370 nan 0.000 0.460 151 Q N 0.145 119.770 119.800 -0.292 0.000 2.084 151 Q HA -0.077 4.262 4.340 -0.000 0.000 0.202 151 Q C 2.510 178.441 176.000 -0.115 0.000 0.978 151 Q CA 0.719 56.176 55.803 -0.576 0.000 0.844 151 Q CB 0.025 28.137 28.738 -1.044 0.000 0.898 151 Q HN 0.353 nan 8.270 nan 0.000 0.426 152 I N 1.245 121.775 120.570 -0.067 0.000 2.286 152 I HA -0.269 3.901 4.170 -0.000 0.000 0.248 152 I C 1.761 177.899 176.117 0.035 0.000 1.115 152 I CA 0.721 62.027 61.300 0.010 0.000 1.392 152 I CB -0.333 37.664 38.000 -0.005 0.000 1.065 152 I HN 0.252 nan 8.210 nan 0.000 0.418 153 N N 0.309 119.052 118.700 0.072 0.000 2.188 153 N HA -0.121 4.619 4.740 -0.000 0.000 0.184 153 N C 1.830 177.407 175.510 0.111 0.000 1.018 153 N CA 1.595 54.742 53.050 0.161 0.000 0.858 153 N CB -0.426 38.172 38.487 0.184 0.000 0.989 153 N HN 0.321 nan 8.380 nan 0.000 0.426 154 T N 2.090 116.723 114.554 0.133 0.000 2.777 154 T HA 0.042 4.391 4.350 -0.000 0.000 0.266 154 T C 2.190 176.975 174.700 0.142 0.000 1.040 154 T CA 0.541 62.752 62.100 0.186 0.000 1.141 154 T CB -0.143 68.943 68.868 0.362 0.000 0.868 154 T HN 0.118 nan 8.240 nan 0.000 0.444 155 L N 1.433 122.751 121.223 0.159 0.000 2.017 155 L HA -0.074 4.266 4.340 -0.000 0.000 0.208 155 L C 2.753 179.560 176.870 -0.106 0.000 1.073 155 L CA 1.182 56.023 54.840 0.003 0.000 0.745 155 L CB -0.836 41.208 42.059 -0.026 0.000 0.894 155 L HN 0.254 nan 8.230 nan 0.000 0.432 156 V N -3.421 116.416 119.914 -0.128 0.000 3.141 156 V HA -0.099 4.021 4.120 -0.000 0.000 0.265 156 V C 1.947 177.934 176.094 -0.178 0.000 1.126 156 V CA 1.661 63.837 62.300 -0.207 0.000 1.141 156 V CB -1.144 30.462 31.823 -0.361 0.000 0.743 156 V HN 0.599 nan 8.190 nan 0.000 0.492 157 T N -2.217 112.279 114.554 -0.096 0.000 3.069 157 T HA 0.399 4.749 4.350 -0.000 0.000 0.252 157 T C 0.524 175.217 174.700 -0.012 0.000 1.053 157 T CA -0.287 61.793 62.100 -0.034 0.000 0.964 157 T CB -0.389 68.500 68.868 0.034 0.000 1.005 157 T HN 0.406 nan 8.240 nan 0.000 0.532 158 L N 2.255 123.464 121.223 -0.024 0.000 2.485 158 L HA 0.279 4.619 4.340 -0.000 0.000 0.275 158 L C -2.166 174.699 176.870 -0.008 0.000 1.207 158 L CA -2.031 52.803 54.840 -0.010 0.000 0.855 158 L CB 0.096 42.144 42.059 -0.018 0.000 1.114 158 L HN -0.021 nan 8.230 nan 0.000 0.485 159 P HA 0.049 nan 4.420 nan 0.000 0.264 159 P C 0.634 177.937 177.300 0.005 0.000 1.193 159 P CA 0.705 63.807 63.100 0.004 0.000 0.763 159 P CB 0.768 32.472 31.700 0.006 0.000 0.810 160 G N 1.309 110.113 108.800 0.006 0.000 2.194 160 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.236 160 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.236 160 G C 0.003 174.912 174.900 0.014 0.000 0.987 160 G CA -0.263 44.844 45.100 0.012 0.000 0.635 160 G HN 0.522 nan 8.290 nan 0.000 0.520 161 V N 1.340 121.253 119.914 -0.002 0.000 2.406 161 V HA 0.616 4.736 4.120 -0.000 0.000 0.272 161 V C 1.403 177.489 176.094 -0.013 0.000 1.043 161 V CA 0.825 63.117 62.300 -0.014 0.000 0.915 161 V CB 1.281 33.068 31.823 -0.061 0.000 0.988 161 V HN 0.608 nan 8.190 nan 0.000 0.466 162 G N 3.182 111.988 108.800 0.010 0.000 3.062 162 G HA2 0.633 4.593 3.960 -0.000 0.000 0.228 162 G HA3 0.633 4.593 3.960 -0.000 0.000 0.228 162 G C 0.220 175.118 174.900 -0.003 0.000 1.094 162 G CA 0.723 45.828 45.100 0.008 0.000 0.782 162 G HN 0.997 nan 8.290 nan 0.000 0.541 163 A N -0.716 122.110 122.820 0.011 0.000 2.586 163 A HA 0.714 5.034 4.320 -0.000 0.000 0.290 163 A C -2.373 175.227 177.584 0.027 0.000 1.086 163 A CA -0.572 51.463 52.037 -0.004 0.000 0.665 163 A CB 1.422 20.467 19.000 0.075 0.000 1.279 163 A HN 0.686 nan 8.150 nan 0.000 0.423 164 L N 0.263 121.493 121.223 0.011 0.000 2.410 164 L HA 0.672 5.012 4.340 -0.000 0.000 0.270 164 L C -0.438 176.520 176.870 0.146 0.000 0.983 164 L CA -0.265 54.607 54.840 0.053 0.000 0.822 164 L CB 1.821 43.869 42.059 -0.019 0.000 1.285 164 L HN 0.694 nan 8.230 nan 0.000 0.409 165 K N 3.609 124.101 120.400 0.154 0.000 2.266 165 K HA 0.317 4.637 4.320 -0.000 0.000 0.274 165 K C -0.644 175.996 176.600 0.067 0.000 1.090 165 K CA -0.486 55.849 56.287 0.080 0.000 0.925 165 K CB 0.762 33.114 32.500 -0.246 0.000 1.225 165 K HN 0.668 nan 8.250 nan 0.000 0.458 166 Q N 2.977 122.806 119.800 0.048 0.000 2.553 166 Q HA 0.103 4.443 4.340 -0.000 0.000 0.221 166 Q C -1.069 174.900 176.000 -0.051 0.000 1.219 166 Q CA 0.110 55.925 55.803 0.020 0.000 0.955 166 Q CB 0.613 29.366 28.738 0.024 0.000 1.399 166 Q HN 0.423 nan 8.270 nan 0.000 0.551 167 T N 2.421 116.917 114.554 -0.097 0.000 3.766 167 T HA 0.368 4.718 4.350 -0.000 0.000 0.327 167 T C -0.792 173.667 174.700 -0.401 0.000 1.595 167 T CA -0.178 61.699 62.100 -0.372 0.000 1.204 167 T CB -0.164 68.516 68.868 -0.312 0.000 1.245 167 T HN 0.413 nan 8.240 nan 0.000 0.875 168 S N 0.510 116.107 115.700 -0.173 0.000 2.541 168 S HA 0.603 5.073 4.470 -0.000 0.000 0.271 168 S C 0.993 175.806 174.600 0.356 0.000 1.133 168 S CA -0.543 57.748 58.200 0.151 0.000 0.876 168 S CB 1.497 64.751 63.200 0.089 0.000 1.105 168 S HN 0.456 nan 8.310 nan 0.000 0.470 169 G N 1.379 110.425 108.800 0.410 0.000 3.141 169 G HA2 0.118 4.078 3.960 -0.000 0.000 0.218 169 G HA3 0.118 4.078 3.960 -0.000 0.000 0.218 169 G C 0.091 175.082 174.900 0.152 0.000 1.170 169 G CA -0.113 45.139 45.100 0.255 0.000 0.769 169 G HN 0.686 nan 8.290 nan 0.000 0.546 170 D N 1.196 121.680 120.400 0.141 0.000 2.435 170 D HA 0.124 4.764 4.640 -0.000 0.000 0.230 170 D C 1.457 177.826 176.300 0.115 0.000 1.215 170 D CA -0.302 53.768 54.000 0.116 0.000 0.947 170 D CB 0.344 41.200 40.800 0.094 0.000 1.048 170 D HN 0.092 nan 8.370 nan 0.000 0.512 171 L N 3.425 124.721 121.223 0.122 0.000 2.610 171 L HA -0.093 4.247 4.340 -0.000 0.000 0.232 171 L C 1.574 178.540 176.870 0.161 0.000 1.149 171 L CA 0.156 55.065 54.840 0.114 0.000 0.872 171 L CB -0.350 41.764 42.059 0.091 0.000 0.992 171 L HN 0.432 nan 8.230 nan 0.000 0.447 172 Y N 1.145 121.458 120.300 0.022 0.000 2.206 172 Y HA -0.195 4.355 4.550 -0.000 0.000 0.292 172 Y C 2.573 178.482 175.900 0.014 0.000 1.123 172 Y CA 1.396 59.504 58.100 0.014 0.000 1.142 172 Y CB -0.398 38.069 38.460 0.012 0.000 1.006 172 Y HN 0.148 nan 8.280 nan 0.000 0.518 173 Q N -0.442 119.325 119.800 -0.055 0.000 2.084 173 Q HA -0.254 4.085 4.340 -0.000 0.000 0.202 173 Q C 2.323 178.286 176.000 -0.061 0.000 0.978 173 Q CA 2.097 57.806 55.803 -0.157 0.000 0.844 173 Q CB -0.212 28.477 28.738 -0.081 0.000 0.898 173 Q HN 0.525 nan 8.270 nan 0.000 0.426 174 M N 0.797 120.402 119.600 0.009 0.000 2.106 174 M HA -0.221 4.259 4.480 -0.000 0.000 0.259 174 M C 1.852 178.161 176.300 0.015 0.000 1.068 174 M CA 1.798 57.111 55.300 0.020 0.000 1.100 174 M CB -0.271 32.353 32.600 0.040 0.000 1.351 174 M HN 0.175 nan 8.290 nan 0.000 0.404 175 E N -0.344 119.877 120.200 0.035 0.000 2.107 175 E HA -0.206 4.144 4.350 -0.000 0.000 0.191 175 E C 1.915 178.518 176.600 0.005 0.000 0.982 175 E CA 1.457 57.881 56.400 0.039 0.000 0.809 175 E CB -0.206 29.552 29.700 0.096 0.000 0.756 175 E HN 0.745 nan 8.360 nan 0.000 0.459 176 Q N 0.089 119.859 119.800 -0.050 0.000 2.079 176 Q HA -0.087 4.253 4.340 -0.000 0.000 0.200 176 Q C 2.447 178.405 176.000 -0.070 0.000 0.974 176 Q CA 1.366 57.107 55.803 -0.103 0.000 0.840 176 Q CB -0.039 28.552 28.738 -0.247 0.000 0.898 176 Q HN 0.346 nan 8.270 nan 0.000 0.430 177 I N 0.385 120.938 120.570 -0.028 0.000 2.226 177 I HA -0.269 3.901 4.170 -0.000 0.000 0.245 177 I C 2.524 178.686 176.117 0.075 0.000 1.100 177 I CA 0.969 62.306 61.300 0.061 0.000 1.374 177 I CB -0.147 37.894 38.000 0.069 0.000 1.057 177 I HN 0.109 nan 8.210 nan 0.000 0.413 178 R N 1.561 122.077 120.500 0.027 0.000 2.096 178 R HA -0.181 4.159 4.340 -0.000 0.000 0.235 178 R C 2.256 178.548 176.300 -0.013 0.000 1.127 178 R CA 1.618 57.728 56.100 0.018 0.000 0.968 178 R CB -0.553 29.749 30.300 0.004 0.000 0.861 178 R HN 0.184 nan 8.270 nan 0.000 0.440 179 R N -0.101 120.377 120.500 -0.037 0.000 2.092 179 R HA -0.111 4.229 4.340 -0.000 0.000 0.231 179 R C 1.867 178.093 176.300 -0.124 0.000 1.119 179 R CA 1.821 57.887 56.100 -0.058 0.000 0.970 179 R CB -0.226 30.049 30.300 -0.042 0.000 0.864 179 R HN 0.290 nan 8.270 nan 0.000 0.440 180 E N -0.448 119.618 120.200 -0.224 0.000 2.285 180 E HA -0.091 4.259 4.350 -0.000 0.000 0.194 180 E C -0.409 175.774 176.600 -0.695 0.000 0.997 180 E CA 0.910 57.029 56.400 -0.469 0.000 0.845 180 E CB 0.346 29.677 29.700 -0.616 0.000 0.782 180 E HN 0.436 nan 8.360 nan 0.000 0.491 181 H N -0.229 118.827 119.070 -0.024 0.000 2.448 181 H HA 0.170 4.726 4.556 0.000 0.000 0.237 181 H C -2.018 173.294 175.328 -0.026 0.000 1.391 181 H CA -1.625 54.408 56.048 -0.024 0.000 1.477 181 H CB 1.157 30.902 29.762 -0.028 0.000 1.520 181 H HN 0.154 nan 8.280 nan 0.000 0.502 182 P HA -0.150 nan 4.420 nan 0.000 0.220 182 P C 0.465 177.776 177.300 0.019 0.000 1.144 182 P CA 1.187 64.297 63.100 0.016 0.000 0.800 182 P CB 0.635 32.335 31.700 -0.000 0.000 0.772 183 D N -1.195 119.224 120.400 0.031 0.000 2.389 183 D HA 0.073 4.713 4.640 -0.000 0.000 0.206 183 D C 0.799 177.098 176.300 -0.002 0.000 1.055 183 D CA -0.253 53.755 54.000 0.012 0.000 0.856 183 D CB -0.464 40.345 40.800 0.014 0.000 0.957 183 D HN 0.087 nan 8.370 nan 0.000 0.509 184 L N 1.660 122.890 121.223 0.013 0.000 2.540 184 L HA -0.001 4.339 4.340 -0.000 0.000 0.276 184 L C -0.294 176.525 176.870 -0.086 0.000 1.212 184 L CA 0.115 54.934 54.840 -0.034 0.000 0.893 184 L CB 0.651 42.693 42.059 -0.029 0.000 1.138 184 L HN -0.256 nan 8.230 nan 0.000 0.491 185 V N 6.953 126.786 119.914 -0.136 0.000 2.470 185 V HA 0.144 4.264 4.120 -0.000 0.000 0.276 185 V C 0.034 175.923 176.094 -0.342 0.000 1.040 185 V CA -0.198 61.949 62.300 -0.256 0.000 1.008 185 V CB 0.784 32.437 31.823 -0.283 0.000 0.990 185 V HN 0.597 nan 8.190 nan 0.000 0.477 186 L N 7.715 128.731 121.223 -0.344 0.000 2.377 186 L HA 0.530 4.870 4.340 -0.000 0.000 0.270 186 L C -0.976 175.751 176.870 -0.237 0.000 0.991 186 L CA -0.292 54.401 54.840 -0.244 0.000 0.851 186 L CB 1.126 43.121 42.059 -0.106 0.000 1.218 186 L HN 0.504 nan 8.230 nan 0.000 0.420 187 Y N 2.993 123.281 120.300 -0.020 0.000 2.336 187 Y HA 0.323 4.873 4.550 0.000 0.000 0.335 187 Y C 0.769 176.658 175.900 -0.018 0.000 1.046 187 Y CA -0.321 57.769 58.100 -0.017 0.000 1.198 187 Y CB 0.614 39.029 38.460 -0.074 0.000 1.182 187 Y HN 0.651 nan 8.280 nan 0.000 0.502 188 N N 1.385 120.199 118.700 0.191 0.000 2.475 188 N HA 0.184 4.924 4.740 -0.000 0.000 0.267 188 N C 0.946 176.531 175.510 0.125 0.000 1.169 188 N CA 0.438 53.575 53.050 0.144 0.000 0.947 188 N CB 0.878 39.463 38.487 0.163 0.000 1.061 188 N HN 0.877 nan 8.380 nan 0.000 0.466 189 G N 2.034 110.838 108.800 0.007 0.000 2.796 189 G HA2 -0.022 3.938 3.960 -0.000 0.000 0.210 189 G HA3 -0.022 3.938 3.960 -0.000 0.000 0.210 189 G C -0.481 174.325 174.900 -0.157 0.000 1.146 189 G CA 0.158 45.167 45.100 -0.152 0.000 0.779 189 G HN 0.522 nan 8.290 nan 0.000 0.535 190 Y N 2.143 122.489 120.300 0.076 0.000 2.504 190 Y HA 0.297 4.847 4.550 -0.000 0.000 0.339 190 Y C 0.682 176.698 175.900 0.195 0.000 0.974 190 Y CA -1.972 56.182 58.100 0.090 0.000 1.232 190 Y CB 1.236 39.747 38.460 0.086 0.000 1.108 190 Y HN -0.002 nan 8.280 nan 0.000 0.509 191 D N 1.008 121.629 120.400 0.368 0.000 2.149 191 D HA -0.232 4.408 4.640 -0.000 0.000 0.194 191 D C 1.749 178.335 176.300 0.476 0.000 1.001 191 D CA 1.654 55.894 54.000 0.400 0.000 0.849 191 D CB 0.065 41.075 40.800 0.349 0.000 0.939 191 D HN 0.682 nan 8.370 nan 0.000 0.449 192 E N 1.128 121.561 120.200 0.389 0.000 2.510 192 E HA -0.143 4.207 4.350 -0.000 0.000 0.202 192 E C 1.674 178.419 176.600 0.243 0.000 1.072 192 E CA 0.506 57.076 56.400 0.283 0.000 0.883 192 E CB -0.507 29.317 29.700 0.207 0.000 0.818 192 E HN 0.580 nan 8.360 nan 0.000 0.548 193 I N -4.846 115.903 120.570 0.298 0.000 3.994 193 I HA 0.289 4.459 4.170 -0.000 0.000 0.323 193 I C 1.277 177.562 176.117 0.279 0.000 1.501 193 I CA -0.760 60.682 61.300 0.237 0.000 1.112 193 I CB -0.280 37.831 38.000 0.185 0.000 1.254 193 I HN -0.245 nan 8.210 nan 0.000 0.495 194 F N 3.256 123.342 119.950 0.226 0.000 2.045 194 F HA -0.346 4.181 4.527 -0.000 0.000 0.297 194 F C 2.539 178.435 175.800 0.160 0.000 1.114 194 F CA 2.798 60.938 58.000 0.232 0.000 1.207 194 F CB -0.241 38.988 39.000 0.382 0.000 0.964 194 F HN 0.233 nan 8.300 nan 0.000 0.486 195 A N -0.752 122.199 122.820 0.219 0.000 1.892 195 A HA -0.226 4.094 4.320 -0.000 0.000 0.218 195 A C 2.348 179.921 177.584 -0.018 0.000 1.188 195 A CA 2.361 54.432 52.037 0.057 0.000 0.631 195 A CB -1.375 17.695 19.000 0.115 0.000 0.822 195 A HN 0.476 nan 8.150 nan 0.000 0.447 196 S N -0.603 115.117 115.700 0.034 0.000 2.402 196 S HA -0.014 4.456 4.470 -0.000 0.000 0.229 196 S C 2.011 176.611 174.600 -0.001 0.000 1.021 196 S CA 0.947 59.161 58.200 0.023 0.000 0.974 196 S CB -0.519 62.713 63.200 0.053 0.000 0.800 196 S HN 0.787 nan 8.310 nan 0.000 0.484 197 G N 1.730 110.521 108.800 -0.015 0.000 2.402 197 G HA2 -0.097 3.863 3.960 -0.000 0.000 0.216 197 G HA3 -0.097 3.863 3.960 -0.000 0.000 0.216 197 G C 1.319 176.156 174.900 -0.105 0.000 1.162 197 G CA 0.434 45.514 45.100 -0.033 0.000 0.777 197 G HN 0.419 nan 8.290 nan 0.000 0.539 198 L N -0.371 120.718 121.223 -0.223 0.000 2.046 198 L HA -0.038 4.302 4.340 -0.000 0.000 0.208 198 L C 2.711 179.518 176.870 -0.105 0.000 1.077 198 L CA 0.548 55.257 54.840 -0.218 0.000 0.747 198 L CB -0.426 41.440 42.059 -0.320 0.000 0.896 198 L HN 0.215 nan 8.230 nan 0.000 0.432 199 L N 0.264 121.442 121.223 -0.075 0.000 2.083 199 L HA -0.145 4.195 4.340 -0.000 0.000 0.209 199 L C 2.534 179.394 176.870 -0.018 0.000 1.083 199 L CA 1.934 56.753 54.840 -0.034 0.000 0.752 199 L CB -0.620 41.429 42.059 -0.017 0.000 0.899 199 L HN 0.151 nan 8.230 nan 0.000 0.433 200 A N -1.749 121.063 122.820 -0.012 0.000 2.066 200 A HA 0.327 4.647 4.320 -0.000 0.000 0.218 200 A C 1.883 179.469 177.584 0.004 0.000 1.157 200 A CA 1.202 53.245 52.037 0.010 0.000 0.670 200 A CB -0.491 18.526 19.000 0.029 0.000 0.804 200 A HN 0.673 nan 8.150 nan 0.000 0.453 201 G N -2.786 106.003 108.800 -0.019 0.000 3.246 201 G HA2 0.306 4.266 3.960 -0.000 0.000 0.218 201 G HA3 0.306 4.266 3.960 -0.000 0.000 0.218 201 G C 0.429 175.307 174.900 -0.038 0.000 0.978 201 G CA 0.040 45.128 45.100 -0.020 0.000 0.825 201 G HN 1.238 nan 8.290 nan 0.000 0.546 202 A N 1.239 124.028 122.820 -0.052 0.000 2.483 202 A HA 0.481 4.801 4.320 -0.000 0.000 0.238 202 A C 0.941 178.474 177.584 -0.085 0.000 1.070 202 A CA 1.193 53.190 52.037 -0.067 0.000 0.770 202 A CB 0.216 19.174 19.000 -0.070 0.000 1.008 202 A HN 0.720 nan 8.150 nan 0.000 0.497 203 D N 0.201 120.551 120.400 -0.084 0.000 2.462 203 D HA 0.443 5.082 4.640 -0.000 0.000 0.221 203 D C 0.397 176.683 176.300 -0.023 0.000 1.173 203 D CA 0.558 54.519 54.000 -0.065 0.000 0.831 203 D CB 0.026 40.786 40.800 -0.067 0.000 1.001 203 D HN 0.896 nan 8.370 nan 0.000 0.499 204 G N -1.793 107.017 108.800 0.016 0.000 2.335 204 G HA2 0.576 4.536 3.960 -0.000 0.000 0.291 204 G HA3 0.576 4.536 3.960 -0.000 0.000 0.291 204 G C -1.029 174.093 174.900 0.369 0.000 1.261 204 G CA -0.332 44.887 45.100 0.199 0.000 0.871 204 G HN 0.632 nan 8.290 nan 0.000 0.491 205 G N -1.299 107.851 108.800 0.583 0.000 2.547 205 G HA2 0.622 4.582 3.960 -0.000 0.000 0.291 205 G HA3 0.622 4.582 3.960 -0.000 0.000 0.291 205 G C -1.887 173.215 174.900 0.337 0.000 1.471 205 G CA -0.565 44.876 45.100 0.569 0.000 0.798 205 G HN 0.852 nan 8.290 nan 0.000 0.504 206 I N 0.457 120.993 120.570 -0.055 0.000 2.499 206 I HA 0.720 4.890 4.170 -0.000 0.000 0.288 206 I C 0.268 175.927 176.117 -0.763 0.000 1.048 206 I CA -0.595 60.406 61.300 -0.498 0.000 1.062 206 I CB 2.428 39.958 38.000 -0.784 0.000 1.238 206 I HN 0.897 nan 8.210 nan 0.000 0.426 207 G N 2.451 110.450 108.800 -1.335 0.000 2.673 207 G HA2 0.345 4.305 3.960 -0.000 0.000 0.292 207 G HA3 0.345 4.305 3.960 -0.000 0.000 0.292 207 G C -0.097 174.355 174.900 -0.746 0.000 1.450 207 G CA -0.312 44.144 45.100 -1.074 0.000 0.837 207 G HN 0.464 nan 8.290 nan 0.000 0.505 208 S N -0.306 115.249 115.700 -0.242 0.000 2.383 208 S HA -0.133 4.337 4.470 -0.000 0.000 0.227 208 S C 2.730 177.408 174.600 0.130 0.000 1.026 208 S CA 2.129 60.361 58.200 0.054 0.000 0.981 208 S CB -0.263 63.165 63.200 0.380 0.000 0.818 208 S HN 1.077 nan 8.310 nan 0.000 0.472 209 T N -0.697 113.963 114.554 0.177 0.000 3.035 209 T HA -0.045 4.305 4.350 -0.000 0.000 0.268 209 T C 1.368 176.208 174.700 0.235 0.000 1.109 209 T CA 0.622 62.847 62.100 0.209 0.000 1.119 209 T CB -0.559 68.467 68.868 0.263 0.000 0.900 209 T HN 0.313 nan 8.240 nan 0.000 0.503 210 Y N 2.498 122.731 120.300 -0.112 0.000 2.384 210 Y HA 0.021 4.571 4.550 0.000 0.000 0.289 210 Y C 2.421 178.310 175.900 -0.019 0.000 1.152 210 Y CA -0.404 57.619 58.100 -0.128 0.000 1.258 210 Y CB -1.139 37.204 38.460 -0.196 0.000 0.979 210 Y HN 0.351 nan 8.280 nan 0.000 0.549 211 N N 0.625 119.440 118.700 0.191 0.000 2.223 211 N HA -0.134 4.606 4.740 -0.000 0.000 0.185 211 N C 1.746 177.431 175.510 0.293 0.000 1.016 211 N CA 1.871 55.048 53.050 0.211 0.000 0.863 211 N CB -0.153 38.428 38.487 0.157 0.000 0.983 211 N HN 0.568 nan 8.380 nan 0.000 0.429 212 I N -2.478 118.210 120.570 0.197 0.000 4.035 212 I HA 0.232 4.402 4.170 -0.000 0.000 0.321 212 I C 1.074 177.169 176.117 -0.036 0.000 1.289 212 I CA 0.241 61.671 61.300 0.216 0.000 1.236 212 I CB 0.193 38.274 38.000 0.136 0.000 1.076 212 I HN -0.090 nan 8.210 nan 0.000 0.418 213 M N -0.450 118.962 119.600 -0.313 0.000 4.307 213 M HA 0.523 5.003 4.480 -0.000 0.000 0.538 213 M C 0.831 176.615 176.300 -0.860 0.000 1.979 213 M CA -0.118 54.520 55.300 -1.104 0.000 0.596 213 M CB 0.035 32.182 32.600 -0.756 0.000 1.471 213 M HN -0.056 nan 8.290 nan 0.000 0.585 214 G N 1.659 110.224 108.800 -0.391 0.000 2.475 214 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.220 214 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.220 214 G C 0.898 175.679 174.900 -0.199 0.000 1.125 214 G CA 1.463 46.448 45.100 -0.190 0.000 0.755 214 G HN 0.956 nan 8.290 nan 0.000 0.565 215 W N 0.760 122.027 121.300 -0.055 0.000 2.421 215 W HA 0.126 4.786 4.660 -0.000 0.000 0.270 215 W C 2.251 178.709 176.519 -0.101 0.000 1.233 215 W CA 0.475 57.775 57.345 -0.075 0.000 1.226 215 W CB -0.265 29.153 29.460 -0.070 0.000 1.121 215 W HN 0.033 nan 8.180 nan 0.000 0.579 216 R N -0.410 119.725 120.500 -0.609 0.000 2.075 216 R HA -0.135 4.205 4.340 -0.000 0.000 0.232 216 R C 2.096 178.120 176.300 -0.460 0.000 1.126 216 R CA 1.885 57.694 56.100 -0.485 0.000 0.963 216 R CB -0.954 28.913 30.300 -0.721 0.000 0.858 216 R HN 0.276 nan 8.270 nan 0.000 0.435 217 Y N 0.931 120.956 120.300 -0.458 0.000 2.242 217 Y HA -0.155 4.395 4.550 0.000 0.000 0.291 217 Y C 2.638 178.381 175.900 -0.262 0.000 1.137 217 Y CA 0.947 58.684 58.100 -0.606 0.000 1.181 217 Y CB -0.108 37.599 38.460 -1.255 0.000 0.989 217 Y HN -0.004 nan 8.280 nan 0.000 0.527 218 Q N -0.417 119.349 119.800 -0.057 0.000 2.119 218 Q HA -0.095 4.245 4.340 -0.000 0.000 0.201 218 Q C 2.601 178.642 176.000 0.069 0.000 0.972 218 Q CA 1.353 57.180 55.803 0.040 0.000 0.847 218 Q CB -0.877 27.891 28.738 0.049 0.000 0.903 218 Q HN 0.599 nan 8.270 nan 0.000 0.433 219 G N 0.882 109.708 108.800 0.043 0.000 2.422 219 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.218 219 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.218 219 G C 1.578 176.513 174.900 0.058 0.000 1.146 219 G CA 0.417 45.548 45.100 0.052 0.000 0.769 219 G HN 0.273 nan 8.290 nan 0.000 0.547 220 I N 0.363 120.975 120.570 0.069 0.000 2.179 220 I HA -0.163 4.007 4.170 -0.000 0.000 0.242 220 I C 2.778 178.996 176.117 0.168 0.000 1.088 220 I CA 0.535 61.917 61.300 0.136 0.000 1.357 220 I CB -0.268 37.885 38.000 0.255 0.000 1.051 220 I HN 0.024 nan 8.210 nan 0.000 0.409 221 V N 1.153 121.204 119.914 0.229 0.000 2.287 221 V HA -0.341 3.779 4.120 -0.000 0.000 0.248 221 V C 2.542 178.691 176.094 0.092 0.000 1.053 221 V CA 2.153 64.552 62.300 0.164 0.000 1.027 221 V CB -0.764 31.172 31.823 0.188 0.000 0.646 221 V HN 0.444 nan 8.190 nan 0.000 0.447 222 K N 0.347 120.798 120.400 0.084 0.000 2.032 222 K HA -0.206 4.114 4.320 -0.000 0.000 0.209 222 K C 2.221 178.849 176.600 0.046 0.000 1.048 222 K CA 1.722 58.043 56.287 0.057 0.000 0.927 222 K CB -0.400 32.132 32.500 0.053 0.000 0.712 222 K HN 0.400 nan 8.250 nan 0.000 0.441 223 A N 1.553 124.403 122.820 0.049 0.000 1.883 223 A HA -0.152 4.167 4.320 -0.000 0.000 0.217 223 A C 2.188 179.792 177.584 0.032 0.000 1.186 223 A CA 1.571 53.630 52.037 0.038 0.000 0.624 223 A CB -0.742 18.281 19.000 0.038 0.000 0.822 223 A HN 0.362 nan 8.150 nan 0.000 0.444 224 L N -0.941 120.304 121.223 0.037 0.000 2.083 224 L HA -0.183 4.157 4.340 -0.000 0.000 0.209 224 L C 2.633 179.514 176.870 0.018 0.000 1.083 224 L CA 1.857 56.711 54.840 0.023 0.000 0.752 224 L CB -0.437 41.630 42.059 0.015 0.000 0.899 224 L HN 0.460 nan 8.230 nan 0.000 0.433 225 K N 0.517 120.931 120.400 0.023 0.000 2.147 225 K HA -0.163 4.157 4.320 -0.000 0.000 0.205 225 K C 1.435 178.045 176.600 0.017 0.000 1.049 225 K CA 1.235 57.533 56.287 0.019 0.000 0.936 225 K CB 0.164 32.679 32.500 0.025 0.000 0.722 225 K HN 0.358 nan 8.250 nan 0.000 0.446 226 E N -0.996 119.215 120.200 0.019 0.000 2.463 226 E HA 0.083 4.433 4.350 -0.000 0.000 0.193 226 E C 0.330 176.938 176.600 0.013 0.000 1.041 226 E CA 0.271 56.680 56.400 0.015 0.000 0.879 226 E CB 0.720 30.430 29.700 0.017 0.000 0.997 226 E HN 0.497 nan 8.360 nan 0.000 0.478 227 G N 2.732 111.540 108.800 0.013 0.000 2.198 227 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.260 227 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.260 227 G C -0.142 174.765 174.900 0.011 0.000 1.025 227 G CA 0.409 45.516 45.100 0.011 0.000 0.769 227 G HN 0.287 nan 8.290 nan 0.000 0.507 228 D N 0.059 120.467 120.400 0.014 0.000 2.557 228 D HA 0.411 5.051 4.640 -0.000 0.000 0.236 228 D C 1.729 178.039 176.300 0.016 0.000 1.154 228 D CA -0.790 53.219 54.000 0.014 0.000 0.985 228 D CB -0.071 40.738 40.800 0.016 0.000 1.010 228 D HN 0.061 nan 8.370 nan 0.000 0.516 229 I N 1.674 122.252 120.570 0.014 0.000 2.264 229 I HA -0.262 3.908 4.170 -0.000 0.000 0.248 229 I C 2.441 178.567 176.117 0.015 0.000 1.111 229 I CA 1.078 62.387 61.300 0.015 0.000 1.382 229 I CB -0.197 37.810 38.000 0.012 0.000 1.060 229 I HN 0.332 nan 8.210 nan 0.000 0.418 230 Q N -0.146 119.662 119.800 0.012 0.000 2.050 230 Q HA -0.153 4.187 4.340 -0.000 0.000 0.202 230 Q C 2.346 178.353 176.000 0.012 0.000 0.980 230 Q CA 2.155 57.964 55.803 0.011 0.000 0.840 230 Q CB -0.982 27.762 28.738 0.009 0.000 0.898 230 Q HN 0.477 nan 8.270 nan 0.000 0.424 231 T N 1.498 116.060 114.554 0.014 0.000 2.777 231 T HA -0.072 4.278 4.350 -0.000 0.000 0.266 231 T C 1.910 176.619 174.700 0.015 0.000 1.040 231 T CA 1.363 63.471 62.100 0.014 0.000 1.141 231 T CB -0.271 68.607 68.868 0.017 0.000 0.868 231 T HN 0.413 nan 8.240 nan 0.000 0.444 232 A N 1.577 124.410 122.820 0.022 0.000 1.883 232 A HA -0.202 4.118 4.320 -0.000 0.000 0.217 232 A C 2.301 179.901 177.584 0.027 0.000 1.186 232 A CA 1.645 53.701 52.037 0.032 0.000 0.624 232 A CB -0.706 18.318 19.000 0.039 0.000 0.822 232 A HN 0.545 nan 8.150 nan 0.000 0.444 233 Q N -0.918 118.895 119.800 0.022 0.000 2.124 233 Q HA -0.169 4.171 4.340 -0.000 0.000 0.202 233 Q C 2.212 178.217 176.000 0.009 0.000 0.977 233 Q CA 1.361 57.176 55.803 0.019 0.000 0.850 233 Q CB -0.178 28.570 28.738 0.017 0.000 0.901 233 Q HN 0.485 nan 8.270 nan 0.000 0.429 234 K N 1.309 121.711 120.400 0.004 0.000 2.057 234 K HA -0.121 4.199 4.320 -0.000 0.000 0.207 234 K C 1.945 178.534 176.600 -0.020 0.000 1.049 234 K CA 1.112 57.397 56.287 -0.003 0.000 0.931 234 K CB -0.282 32.218 32.500 0.001 0.000 0.714 234 K HN 0.222 nan 8.250 nan 0.000 0.440 235 L N 0.738 121.943 121.223 -0.029 0.000 2.046 235 L HA -0.196 4.144 4.340 -0.000 0.000 0.208 235 L C 2.777 179.578 176.870 -0.115 0.000 1.077 235 L CA 1.302 56.095 54.840 -0.079 0.000 0.747 235 L CB -0.412 41.595 42.059 -0.087 0.000 0.896 235 L HN 0.208 nan 8.230 nan 0.000 0.432 236 Q N -0.171 119.596 119.800 -0.055 0.000 2.084 236 Q HA -0.171 4.169 4.340 -0.000 0.000 0.202 236 Q C 2.076 178.063 176.000 -0.022 0.000 0.978 236 Q CA 2.325 58.113 55.803 -0.026 0.000 0.844 236 Q CB -0.354 28.415 28.738 0.053 0.000 0.898 236 Q HN 0.340 nan 8.270 nan 0.000 0.426 237 T N 1.013 115.558 114.554 -0.015 0.000 2.720 237 T HA -0.132 4.218 4.350 -0.000 0.000 0.268 237 T C 1.373 176.057 174.700 -0.027 0.000 1.037 237 T CA 1.427 63.521 62.100 -0.010 0.000 1.144 237 T CB -0.187 68.678 68.868 -0.005 0.000 0.864 237 T HN 0.312 nan 8.240 nan 0.000 0.444 238 E N 0.566 120.739 120.200 -0.047 0.000 2.077 238 E HA -0.071 4.279 4.350 -0.000 0.000 0.193 238 E C 2.571 179.123 176.600 -0.080 0.000 0.989 238 E CA 0.639 57.005 56.400 -0.055 0.000 0.800 238 E CB -0.709 28.957 29.700 -0.057 0.000 0.746 238 E HN 0.496 nan 8.360 nan 0.000 0.452 239 C N 1.379 120.604 119.300 -0.125 0.000 2.429 239 C HA -0.087 4.373 4.460 -0.000 0.000 0.277 239 C C 2.345 177.317 174.990 -0.030 0.000 1.262 239 C CA 0.629 59.573 59.018 -0.124 0.000 1.733 239 C CB -1.100 26.505 27.740 -0.224 0.000 2.010 239 C HN 0.403 nan 8.230 nan 0.000 0.483 240 N N 0.826 119.521 118.700 -0.010 0.000 2.331 240 N HA -0.067 4.673 4.740 -0.000 0.000 0.180 240 N C 1.671 177.166 175.510 -0.023 0.000 1.019 240 N CA 0.909 53.965 53.050 0.009 0.000 0.881 240 N CB -0.305 38.199 38.487 0.028 0.000 0.972 240 N HN 0.571 nan 8.380 nan 0.000 0.435 241 K N 0.090 120.471 120.400 -0.031 0.000 2.097 241 K HA -0.004 4.316 4.320 -0.000 0.000 0.206 241 K C 1.754 178.317 176.600 -0.061 0.000 1.049 241 K CA 0.718 56.983 56.287 -0.037 0.000 0.933 241 K CB -0.043 32.440 32.500 -0.027 0.000 0.717 241 K HN -0.013 nan 8.250 nan 0.000 0.442 242 V N 1.784 121.655 119.914 -0.073 0.000 2.307 242 V HA -0.219 3.900 4.120 -0.000 0.000 0.245 242 V C 2.154 178.137 176.094 -0.185 0.000 1.045 242 V CA 1.549 63.785 62.300 -0.107 0.000 1.024 242 V CB -0.345 31.423 31.823 -0.092 0.000 0.651 242 V HN 0.264 nan 8.190 nan 0.000 0.449 243 I N 0.207 120.673 120.570 -0.173 0.000 2.264 243 I HA -0.251 3.918 4.170 -0.000 0.000 0.248 243 I C 2.227 178.188 176.117 -0.260 0.000 1.111 243 I CA 1.521 62.647 61.300 -0.291 0.000 1.382 243 I CB -0.516 37.430 38.000 -0.090 0.000 1.060 243 I HN 0.323 nan 8.210 nan 0.000 0.418 244 D N 0.763 121.080 120.400 -0.138 0.000 2.104 244 D HA -0.198 4.442 4.640 -0.000 0.000 0.194 244 D C 1.961 178.172 176.300 -0.147 0.000 0.994 244 D CA 1.189 55.127 54.000 -0.102 0.000 0.830 244 D CB -0.265 40.501 40.800 -0.057 0.000 0.959 244 D HN 0.164 nan 8.370 nan 0.000 0.452 245 L N 0.405 121.527 121.223 -0.169 0.000 2.027 245 L HA -0.079 4.261 4.340 -0.000 0.000 0.206 245 L C 2.104 178.791 176.870 -0.305 0.000 1.074 245 L CA 1.408 56.128 54.840 -0.199 0.000 0.745 245 L CB -0.591 41.377 42.059 -0.151 0.000 0.898 245 L HN 0.056 nan 8.230 nan 0.000 0.433 246 L N -0.801 120.190 121.223 -0.386 0.000 2.081 246 L HA -0.279 4.061 4.340 -0.000 0.000 0.212 246 L C 2.548 179.173 176.870 -0.408 0.000 1.080 246 L CA 1.604 56.137 54.840 -0.513 0.000 0.754 246 L CB -0.620 40.877 42.059 -0.937 0.000 0.893 246 L HN 0.310 nan 8.230 nan 0.000 0.433 247 I N -0.391 119.981 120.570 -0.329 0.000 2.361 247 I HA -0.277 3.893 4.170 -0.000 0.000 0.251 247 I C 2.487 178.538 176.117 -0.110 0.000 1.133 247 I CA 1.326 62.566 61.300 -0.099 0.000 1.413 247 I CB -0.228 37.765 38.000 -0.012 0.000 1.073 247 I HN 0.252 nan 8.210 nan 0.000 0.424 248 K N 0.180 120.457 120.400 -0.205 0.000 2.076 248 K HA -0.106 4.214 4.320 -0.000 0.000 0.204 248 K C 2.153 178.471 176.600 -0.472 0.000 1.051 248 K CA 1.923 58.057 56.287 -0.255 0.000 0.949 248 K CB -0.197 32.139 32.500 -0.274 0.000 0.726 248 K HN 0.437 nan 8.250 nan 0.000 0.443 249 T N -2.211 111.979 114.554 -0.608 0.000 3.014 249 T HA 0.155 4.505 4.350 -0.000 0.000 0.263 249 T C 0.823 175.414 174.700 -0.181 0.000 1.078 249 T CA 0.433 62.195 62.100 -0.564 0.000 1.135 249 T CB 0.269 68.862 68.868 -0.459 0.000 0.895 249 T HN 0.270 nan 8.240 nan 0.000 0.480 250 G N -0.455 108.267 108.800 -0.129 0.000 2.931 250 G HA2 -0.023 3.937 3.960 -0.000 0.000 0.675 250 G HA3 -0.023 3.937 3.960 -0.000 0.000 0.675 250 G C -0.107 174.767 174.900 -0.043 0.000 1.339 250 G CA -0.209 44.880 45.100 -0.018 0.000 0.866 250 G HN 0.151 nan 8.290 nan 0.000 0.616 251 W N 2.956 124.119 121.300 -0.229 0.000 2.381 251 W HA -0.040 4.620 4.660 -0.000 0.000 0.323 251 W C 2.166 178.581 176.519 -0.173 0.000 1.194 251 W CA 2.252 59.437 57.345 -0.267 0.000 1.296 251 W CB -0.477 28.717 29.460 -0.442 0.000 1.175 251 W HN 0.541 nan 8.180 nan 0.000 0.465 252 F N 1.208 121.278 119.950 0.200 0.000 2.134 252 F HA -0.206 4.321 4.527 -0.000 0.000 0.299 252 F C 2.620 178.377 175.800 -0.072 0.000 1.097 252 F CA 2.075 60.085 58.000 0.017 0.000 1.264 252 F CB -1.554 37.341 39.000 -0.176 0.000 1.001 252 F HN 0.043 nan 8.300 nan 0.000 0.479 253 R N 0.236 120.767 120.500 0.052 0.000 2.115 253 R HA 0.046 4.386 4.340 -0.000 0.000 0.226 253 R C 2.394 178.692 176.300 -0.003 0.000 1.100 253 R CA 1.301 57.404 56.100 0.006 0.000 0.980 253 R CB -1.454 28.846 30.300 -0.000 0.000 0.875 253 R HN 0.288 nan 8.270 nan 0.000 0.445 254 G N 1.991 110.776 108.800 -0.025 0.000 2.402 254 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.216 254 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.216 254 G C 1.535 176.411 174.900 -0.039 0.000 1.162 254 G CA 0.511 45.574 45.100 -0.061 0.000 0.777 254 G HN 0.161 nan 8.290 nan 0.000 0.539 255 L N -0.076 121.138 121.223 -0.015 0.000 2.056 255 L HA -0.038 4.302 4.340 -0.000 0.000 0.207 255 L C 2.978 179.853 176.870 0.008 0.000 1.078 255 L CA 1.253 56.102 54.840 0.016 0.000 0.749 255 L CB -0.275 41.842 42.059 0.096 0.000 0.901 255 L HN 0.160 nan 8.230 nan 0.000 0.433 256 K N -0.654 119.746 120.400 -0.001 0.000 2.057 256 K HA -0.139 4.181 4.320 -0.000 0.000 0.207 256 K C 2.073 178.634 176.600 -0.066 0.000 1.049 256 K CA 1.815 58.076 56.287 -0.043 0.000 0.931 256 K CB -0.292 32.174 32.500 -0.057 0.000 0.714 256 K HN 0.278 nan 8.250 nan 0.000 0.440 257 T N 1.076 115.591 114.554 -0.066 0.000 2.746 257 T HA -0.116 4.234 4.350 -0.000 0.000 0.267 257 T C 2.019 176.654 174.700 -0.109 0.000 1.039 257 T CA 1.233 63.260 62.100 -0.122 0.000 1.142 257 T CB -0.199 68.650 68.868 -0.032 0.000 0.866 257 T HN -0.051 nan 8.240 nan 0.000 0.444 258 V N 1.494 121.419 119.914 0.017 0.000 2.295 258 V HA -0.128 3.992 4.120 -0.000 0.000 0.246 258 V C 2.489 178.595 176.094 0.021 0.000 1.049 258 V CA 1.502 63.856 62.300 0.089 0.000 1.024 258 V CB -0.687 31.181 31.823 0.075 0.000 0.648 258 V HN 0.432 nan 8.190 nan 0.000 0.447 259 L N -0.548 120.649 121.223 -0.042 0.000 2.131 259 L HA -0.221 4.119 4.340 -0.000 0.000 0.210 259 L C 2.570 179.353 176.870 -0.145 0.000 1.092 259 L CA 1.883 56.642 54.840 -0.135 0.000 0.759 259 L CB -0.784 41.193 42.059 -0.137 0.000 0.903 259 L HN 0.479 nan 8.230 nan 0.000 0.435 260 H N -0.512 118.414 119.070 -0.240 0.000 2.293 260 H HA -0.227 4.330 4.556 0.000 0.000 0.300 260 H C 1.911 177.095 175.328 -0.239 0.000 1.082 260 H CA 1.950 57.822 56.048 -0.294 0.000 1.308 260 H CB -0.232 29.263 29.762 -0.445 0.000 1.375 260 H HN 0.222 nan 8.280 nan 0.000 0.495 261 Y N -0.287 119.930 120.300 -0.139 0.000 2.574 261 Y HA -0.033 4.517 4.550 0.000 0.000 0.294 261 Y C 1.939 177.755 175.900 -0.140 0.000 1.142 261 Y CA 0.726 58.722 58.100 -0.173 0.000 1.314 261 Y CB -0.370 38.063 38.460 -0.045 0.000 0.991 261 Y HN 0.322 nan 8.280 nan 0.000 0.555 262 M N -0.498 119.084 119.600 -0.031 0.000 2.505 262 M HA 0.031 4.511 4.480 -0.000 0.000 0.230 262 M C -0.305 175.908 176.300 -0.145 0.000 1.153 262 M CA 0.449 55.709 55.300 -0.067 0.000 0.997 262 M CB 0.211 32.735 32.600 -0.127 0.000 1.606 262 M HN 0.060 nan 8.290 nan 0.000 0.481 263 D N -0.338 119.963 120.400 -0.165 0.000 2.870 263 D HA -0.142 4.498 4.640 -0.000 0.000 0.228 263 D C 0.666 176.870 176.300 -0.160 0.000 1.147 263 D CA 0.379 54.286 54.000 -0.155 0.000 0.757 263 D CB -1.380 39.367 40.800 -0.088 0.000 1.091 263 D HN 0.242 nan 8.370 nan 0.000 0.429 264 V N -1.073 118.709 119.914 -0.220 0.000 2.908 264 V HA 0.047 4.167 4.120 -0.000 0.000 0.240 264 V C 1.101 177.120 176.094 -0.126 0.000 1.117 264 V CA 0.505 62.670 62.300 -0.225 0.000 1.133 264 V CB 0.932 32.487 31.823 -0.446 0.000 0.857 264 V HN 0.067 nan 8.190 nan 0.000 0.478 265 V N 0.809 120.666 119.914 -0.095 0.000 2.398 265 V HA 0.309 4.428 4.120 -0.000 0.000 0.286 265 V C 1.140 177.285 176.094 0.086 0.000 1.026 265 V CA 0.158 62.438 62.300 -0.034 0.000 0.868 265 V CB 1.391 33.177 31.823 -0.061 0.000 0.982 265 V HN 0.329 nan 8.190 nan 0.000 0.443 266 S N 3.478 119.209 115.700 0.052 0.000 2.355 266 S HA -0.008 4.462 4.470 -0.000 0.000 0.222 266 S C 0.561 175.178 174.600 0.029 0.000 1.031 266 S CA 0.878 59.135 58.200 0.095 0.000 0.993 266 S CB 0.132 63.355 63.200 0.038 0.000 0.859 266 S HN 0.545 nan 8.310 nan 0.000 0.453 267 V N 3.382 123.257 119.914 -0.065 0.000 2.443 267 V HA 0.310 4.430 4.120 -0.000 0.000 0.293 267 V C -2.216 173.784 176.094 -0.157 0.000 1.021 267 V CA -1.593 60.611 62.300 -0.159 0.000 0.848 267 V CB 1.899 33.688 31.823 -0.057 0.000 0.998 267 V HN 0.142 nan 8.190 nan 0.000 0.424 268 P HA 0.179 nan 4.420 nan 0.000 0.253 268 P C -0.053 177.206 177.300 -0.068 0.000 1.508 268 P CA 0.029 63.028 63.100 -0.170 0.000 0.883 268 P CB 0.293 31.842 31.700 -0.253 0.000 1.519 269 L N -0.270 120.950 121.223 -0.004 0.000 2.399 269 L HA 0.307 4.647 4.340 -0.000 0.000 0.266 269 L C 0.822 177.801 176.870 0.183 0.000 1.114 269 L CA -0.586 54.297 54.840 0.073 0.000 0.804 269 L CB 0.847 42.953 42.059 0.077 0.000 1.146 269 L HN 0.018 nan 8.230 nan 0.000 0.451 270 C N 0.960 120.363 119.300 0.172 0.000 2.407 270 C HA 0.476 4.936 4.460 -0.000 0.000 0.366 270 C C 0.535 175.678 174.990 0.254 0.000 1.213 270 C CA -0.805 58.352 59.018 0.232 0.000 2.011 270 C CB 1.642 29.362 27.740 -0.034 0.000 2.306 270 C HN 0.733 nan 8.230 nan 0.000 0.527 271 R N 1.347 122.000 120.500 0.256 0.000 2.441 271 R HA 0.230 4.569 4.340 -0.000 0.000 0.284 271 R C -0.090 176.341 176.300 0.219 0.000 1.070 271 R CA -0.428 55.715 56.100 0.071 0.000 1.047 271 R CB 0.526 30.751 30.300 -0.125 0.000 1.016 271 R HN 0.530 nan 8.270 nan 0.000 0.477 272 K N 3.025 123.481 120.400 0.094 0.000 2.380 272 K HA 0.012 4.332 4.320 -0.000 0.000 0.267 272 K C -1.317 175.301 176.600 0.030 0.000 0.990 272 K CA -0.935 55.397 56.287 0.075 0.000 0.946 272 K CB 0.350 32.865 32.500 0.026 0.000 0.937 272 K HN 0.500 nan 8.250 nan 0.000 0.491 273 P HA -0.051 nan 4.420 nan 0.000 0.239 273 P C -0.144 177.136 177.300 -0.035 0.000 1.184 273 P CA 0.256 63.320 63.100 -0.059 0.000 0.760 273 P CB 0.119 31.752 31.700 -0.110 0.000 0.884 274 F N 1.461 121.450 119.950 0.065 0.000 2.538 274 F HA 0.316 4.843 4.527 -0.001 0.000 0.371 274 F C 1.814 177.654 175.800 0.066 0.000 1.087 274 F CA 0.457 58.507 58.000 0.083 0.000 1.250 274 F CB 0.206 39.283 39.000 0.129 0.000 1.110 274 F HN -0.085 nan 8.300 nan 0.000 0.570 275 G N 3.909 112.868 108.800 0.265 0.000 2.535 275 G HA2 0.598 4.558 3.960 -0.000 0.000 0.303 275 G HA3 0.598 4.558 3.960 -0.000 0.000 0.303 275 G C -2.572 172.423 174.900 0.159 0.000 1.237 275 G CA -1.246 43.954 45.100 0.166 0.000 0.986 275 G HN 0.420 nan 8.290 nan 0.000 0.494 276 P HA 0.300 nan 4.420 nan 0.000 0.279 276 P C -0.318 177.044 177.300 0.104 0.000 1.276 276 P CA -0.447 62.709 63.100 0.092 0.000 0.801 276 P CB 1.185 32.925 31.700 0.067 0.000 1.127 277 V N 1.486 121.457 119.914 0.096 0.000 2.637 277 V HA 0.004 4.124 4.120 -0.000 0.000 0.296 277 V C 0.943 177.133 176.094 0.160 0.000 1.046 277 V CA 0.111 62.491 62.300 0.133 0.000 1.066 277 V CB 0.073 31.968 31.823 0.120 0.000 0.968 277 V HN 0.599 nan 8.190 nan 0.000 0.483 278 D N 3.987 124.525 120.400 0.229 0.000 2.401 278 D HA -0.007 4.633 4.640 -0.000 0.000 0.254 278 D C 1.302 177.665 176.300 0.105 0.000 1.192 278 D CA 0.185 54.273 54.000 0.148 0.000 0.885 278 D CB 0.943 41.817 40.800 0.124 0.000 1.147 278 D HN 0.658 nan 8.370 nan 0.000 0.478 279 E N 3.179 123.407 120.200 0.047 0.000 2.233 279 E HA -0.266 4.083 4.350 -0.000 0.000 0.199 279 E C 1.704 178.297 176.600 -0.012 0.000 1.004 279 E CA 1.052 57.474 56.400 0.038 0.000 0.819 279 E CB -0.035 29.679 29.700 0.024 0.000 0.738 279 E HN 0.660 nan 8.360 nan 0.000 0.478 280 K N 0.175 120.497 120.400 -0.131 0.000 2.280 280 K HA -0.159 4.161 4.320 -0.000 0.000 0.202 280 K C 1.176 177.661 176.600 -0.191 0.000 1.047 280 K CA 1.265 57.423 56.287 -0.215 0.000 0.942 280 K CB -0.199 32.086 32.500 -0.358 0.000 0.739 280 K HN 0.158 nan 8.250 nan 0.000 0.457 281 Y N 1.400 121.717 120.300 0.028 0.000 2.500 281 Y HA 0.192 4.742 4.550 -0.000 0.000 0.270 281 Y C 1.860 177.785 175.900 0.042 0.000 1.134 281 Y CA -0.228 57.889 58.100 0.028 0.000 1.293 281 Y CB -0.077 38.399 38.460 0.028 0.000 1.063 281 Y HN -0.089 nan 8.280 nan 0.000 0.534 282 L N 0.272 121.606 121.223 0.186 0.000 2.042 282 L HA -0.182 4.158 4.340 -0.000 0.000 0.210 282 L C -0.409 176.499 176.870 0.063 0.000 1.076 282 L CA 1.379 56.315 54.840 0.161 0.000 0.749 282 L CB -1.772 40.377 42.059 0.149 0.000 0.893 282 L HN 0.162 nan 8.230 nan 0.000 0.432 283 P HA -0.183 nan 4.420 nan 0.000 0.215 283 P C 1.347 178.648 177.300 0.001 0.000 1.157 283 P CA 1.384 64.478 63.100 -0.011 0.000 0.868 283 P CB 0.056 31.755 31.700 -0.003 0.000 0.788 284 E N -0.710 119.520 120.200 0.050 0.000 2.072 284 E HA -0.129 4.221 4.350 -0.000 0.000 0.191 284 E C 2.052 178.678 176.600 0.044 0.000 0.985 284 E CA 0.894 57.323 56.400 0.049 0.000 0.801 284 E CB -0.648 29.100 29.700 0.081 0.000 0.750 284 E HN 0.219 nan 8.360 nan 0.000 0.452 285 L N 1.029 122.300 121.223 0.080 0.000 2.046 285 L HA -0.209 4.131 4.340 -0.000 0.000 0.208 285 L C 2.426 179.354 176.870 0.096 0.000 1.077 285 L CA 1.294 56.204 54.840 0.117 0.000 0.747 285 L CB -0.349 41.837 42.059 0.212 0.000 0.896 285 L HN 0.047 nan 8.230 nan 0.000 0.432 286 K N 0.040 120.401 120.400 -0.065 0.000 2.057 286 K HA -0.139 4.181 4.320 -0.000 0.000 0.207 286 K C 2.253 178.788 176.600 -0.109 0.000 1.049 286 K CA 1.370 57.482 56.287 -0.291 0.000 0.931 286 K CB -0.281 31.916 32.500 -0.506 0.000 0.714 286 K HN 0.279 nan 8.250 nan 0.000 0.440 287 A N 1.525 124.308 122.820 -0.061 0.000 1.933 287 A HA -0.164 4.156 4.320 -0.000 0.000 0.218 287 A C 2.093 179.682 177.584 0.010 0.000 1.175 287 A CA 1.171 53.193 52.037 -0.025 0.000 0.628 287 A CB -0.483 18.508 19.000 -0.014 0.000 0.814 287 A HN 0.238 nan 8.150 nan 0.000 0.444 288 L N -0.195 121.044 121.223 0.027 0.000 2.017 288 L HA -0.038 4.302 4.340 -0.000 0.000 0.208 288 L C 2.654 179.572 176.870 0.079 0.000 1.073 288 L CA 2.227 57.096 54.840 0.047 0.000 0.745 288 L CB -0.956 41.127 42.059 0.040 0.000 0.894 288 L HN 0.333 nan 8.230 nan 0.000 0.432 289 A N -0.891 121.986 122.820 0.095 0.000 1.908 289 A HA -0.303 4.017 4.320 -0.000 0.000 0.218 289 A C 2.275 179.921 177.584 0.102 0.000 1.181 289 A CA 1.905 54.019 52.037 0.127 0.000 0.627 289 A CB -0.782 18.323 19.000 0.176 0.000 0.818 289 A HN 0.615 nan 8.150 nan 0.000 0.445 290 Q N -0.144 119.690 119.800 0.056 0.000 2.050 290 Q HA -0.245 4.095 4.340 -0.000 0.000 0.202 290 Q C 2.221 178.254 176.000 0.055 0.000 0.980 290 Q CA 2.472 58.297 55.803 0.038 0.000 0.840 290 Q CB -0.490 28.249 28.738 0.003 0.000 0.898 290 Q HN 0.763 nan 8.270 nan 0.000 0.424 291 Q N -0.512 119.324 119.800 0.059 0.000 2.096 291 Q HA -0.173 4.167 4.340 -0.000 0.000 0.204 291 Q C 2.048 178.118 176.000 0.117 0.000 0.982 291 Q CA 1.670 57.515 55.803 0.070 0.000 0.850 291 Q CB -0.169 28.606 28.738 0.061 0.000 0.901 291 Q HN 0.545 nan 8.270 nan 0.000 0.422 292 L N -0.141 121.183 121.223 0.169 0.000 2.093 292 L HA -0.175 4.165 4.340 -0.000 0.000 0.208 292 L C 2.642 179.659 176.870 0.245 0.000 1.085 292 L CA 0.992 56.014 54.840 0.303 0.000 0.755 292 L CB -0.298 41.977 42.059 0.360 0.000 0.904 292 L HN 0.356 nan 8.230 nan 0.000 0.435 293 M N -1.165 118.533 119.600 0.163 0.000 2.175 293 M HA -0.189 4.291 4.480 -0.000 0.000 0.264 293 M C 2.325 178.633 176.300 0.013 0.000 1.063 293 M CA 1.534 56.890 55.300 0.093 0.000 1.119 293 M CB -0.311 32.343 32.600 0.090 0.000 1.377 293 M HN 0.268 nan 8.290 nan 0.000 0.415 294 Q N 0.000 119.814 119.800 0.024 0.000 2.119 294 Q HA -0.202 4.138 4.340 -0.000 0.000 0.201 294 Q C 1.864 177.842 176.000 -0.036 0.000 0.972 294 Q CA 1.361 57.161 55.803 -0.006 0.000 0.847 294 Q CB -0.202 28.541 28.738 0.009 0.000 0.903 294 Q HN 0.609 nan 8.270 nan 0.000 0.433 295 E N 0.680 120.872 120.200 -0.013 0.000 2.106 295 E HA -0.109 4.241 4.350 -0.000 0.000 0.192 295 E C 1.095 177.536 176.600 -0.264 0.000 0.984 295 E CA 0.178 56.551 56.400 -0.044 0.000 0.806 295 E CB 0.311 30.087 29.700 0.126 0.000 0.750 295 E HN 0.070 nan 8.360 nan 0.000 0.458 296 R N 0.000 120.262 120.500 -0.397 0.000 2.786 296 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 296 R CA 0.000 55.691 56.100 -0.681 0.000 0.921 296 R CB 0.000 29.775 30.300 -0.875 0.000 0.687 296 R HN 0.000 nan 8.270 nan 0.000 0.535