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 3iwk_1_L DATA FIRST_RESID 6 DATA SEQUENCE SSRQLFIDGE WRVPILNKRI PNINPSTENI IGDIPAATKE DVDLAVDAAK DATA SEQUENCE RAISRKNGRD WSAASGSLRA RYLRAIAAKI KEKKDELGKL ESIDCGKPLE DATA SEQUENCE EALADLDDVV ACFEYYAGLA EELDSKQKAP ISLPMDTFKS YILKEPIGVV DATA SEQUENCE ALITPWNYPF LMATWKIAPA LAAGCAAILK PSELASVTCL ELGEICKEVG DATA SEQUENCE LPRGVLNIVT GLGHEAGASL ASHPDVDKIS FTGSSATGSK IMTTAAQLVK DATA SEQUENCE PVSLELGGKS PIVVFEDVDL DKVAEWTVFG CFFTNGQICS ATSRLIVHES DATA SEQUENCE IAVEFVDKLV KWAENIKISD PLEEGCRLGP IVSEAQYKKV LNCISSAKSE DATA SEQUENCE GATILTGGRR PEHLKKGYFV EPTIITDVTT SMQIWREEVF GPVLAVKTFS DATA SEQUENCE TEEEAINLAN DTHYGLGSAV MSNDLERCER LSKALQAGIV WINCAQPSFI DATA SEQUENCE QAPWGGIKRS GFGRELGEWG LENYLSVKQV TRYTSDEPWG WYQPPS 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 6 S HA 0.000 nan 4.470 nan 0.000 0.327 6 S C 0.000 174.522 174.600 -0.130 0.000 1.055 6 S CA 0.000 58.136 58.200 -0.106 0.000 1.107 6 S CB 0.000 63.140 63.200 -0.100 0.000 0.593 7 S N 4.937 120.556 115.700 -0.134 0.000 2.400 7 S HA 0.435 4.907 4.470 0.003 0.000 0.295 7 S C 0.418 174.885 174.600 -0.222 0.000 1.113 7 S CA -0.660 57.456 58.200 -0.141 0.000 1.064 7 S CB 0.286 63.424 63.200 -0.103 0.000 0.990 7 S HN 0.592 nan 8.310 nan 0.000 0.502 8 R N 2.021 122.365 120.500 -0.259 0.000 2.596 8 R HA 0.514 4.856 4.340 0.003 0.000 0.267 8 R C -0.039 176.122 176.300 -0.231 0.000 1.026 8 R CA -0.882 54.948 56.100 -0.451 0.000 1.087 8 R CB 0.553 30.507 30.300 -0.576 0.000 1.132 8 R HN 0.421 nan 8.270 nan 0.000 0.531 9 Q N 0.218 119.913 119.800 -0.175 0.000 2.838 9 Q HA 0.477 4.818 4.340 0.003 0.000 0.189 9 Q C -0.604 175.646 176.000 0.418 0.000 1.029 9 Q CA -0.594 55.301 55.803 0.153 0.000 0.919 9 Q CB 0.728 29.586 28.738 0.201 0.000 2.121 9 Q HN 0.403 nan 8.270 nan 0.000 0.455 10 L N 1.156 122.592 121.223 0.356 0.000 2.371 10 L HA 0.310 4.652 4.340 0.003 0.000 0.272 10 L C -0.400 176.669 176.870 0.332 0.000 1.124 10 L CA -0.286 54.736 54.840 0.303 0.000 0.816 10 L CB 0.328 42.472 42.059 0.142 0.000 1.129 10 L HN 0.459 nan 8.230 nan 0.000 0.448 11 F N 4.713 124.648 119.950 -0.026 0.000 2.313 11 F HA 0.551 5.079 4.527 0.003 0.000 0.369 11 F C -0.357 175.301 175.800 -0.237 0.000 1.109 11 F CA -0.485 57.296 58.000 -0.366 0.000 1.132 11 F CB 0.262 38.923 39.000 -0.564 0.000 1.291 11 F HN 0.151 nan 8.300 nan 0.000 0.496 12 I N 5.107 125.323 120.570 -0.591 0.000 2.499 12 I HA 0.205 4.376 4.170 0.003 0.000 0.288 12 I C -0.436 175.348 176.117 -0.554 0.000 1.048 12 I CA -0.890 60.133 61.300 -0.462 0.000 1.062 12 I CB 1.811 39.679 38.000 -0.219 0.000 1.238 12 I HN 0.368 nan 8.210 nan 0.000 0.426 13 D N 5.006 125.100 120.400 -0.509 0.000 2.772 13 D HA -0.184 4.458 4.640 0.003 0.000 0.233 13 D C 1.042 177.053 176.300 -0.482 0.000 1.143 13 D CA 1.806 55.564 54.000 -0.403 0.000 0.700 13 D CB -0.716 39.933 40.800 -0.252 0.000 1.076 13 D HN 1.152 nan 8.370 nan 0.000 0.430 14 G N -0.632 107.681 108.800 -0.812 0.000 2.148 14 G HA2 -0.314 3.648 3.960 0.003 0.000 0.254 14 G HA3 -0.314 3.648 3.960 0.003 0.000 0.254 14 G C 0.176 174.750 174.900 -0.543 0.000 0.981 14 G CA 0.643 45.346 45.100 -0.663 0.000 0.670 14 G HN 0.564 nan 8.290 nan 0.000 0.528 15 E N -1.784 117.996 120.200 -0.700 0.000 2.369 15 E HA 0.522 4.873 4.350 0.003 0.000 0.270 15 E C -0.848 175.516 176.600 -0.393 0.000 0.909 15 E CA -1.172 55.006 56.400 -0.371 0.000 0.775 15 E CB 1.267 30.854 29.700 -0.189 0.000 1.270 15 E HN 0.241 nan 8.360 nan 0.000 0.445 16 W N 2.007 123.345 121.300 0.065 0.000 2.335 16 W HA 0.303 4.965 4.660 0.002 0.000 0.306 16 W C 0.154 176.686 176.519 0.021 0.000 1.216 16 W CA -0.560 56.836 57.345 0.086 0.000 1.237 16 W CB 0.741 30.258 29.460 0.094 0.000 1.243 16 W HN -0.023 nan 8.180 nan 0.000 0.493 17 R N 2.938 123.585 120.500 0.243 0.000 2.480 17 R HA 0.388 4.729 4.340 0.003 0.000 0.306 17 R C -0.858 175.519 176.300 0.129 0.000 0.958 17 R CA -1.133 55.042 56.100 0.125 0.000 0.861 17 R CB 1.325 31.646 30.300 0.035 0.000 1.171 17 R HN 0.241 nan 8.270 nan 0.000 0.445 18 V N 4.826 124.795 119.914 0.092 0.000 2.655 18 V HA 0.083 4.204 4.120 0.003 0.000 0.300 18 V C -1.793 174.330 176.094 0.048 0.000 1.044 18 V CA -1.176 61.163 62.300 0.065 0.000 1.095 18 V CB 0.408 32.256 31.823 0.043 0.000 0.952 18 V HN 0.530 nan 8.190 nan 0.000 0.485 19 P HA 0.131 nan 4.420 nan 0.000 0.265 19 P C 1.043 178.356 177.300 0.021 0.000 1.193 19 P CA 0.156 63.274 63.100 0.031 0.000 0.765 19 P CB 0.467 32.183 31.700 0.026 0.000 0.823 20 I N 2.073 122.654 120.570 0.017 0.000 2.335 20 I HA -0.237 3.934 4.170 0.003 0.000 0.251 20 I C 1.373 177.497 176.117 0.011 0.000 1.129 20 I CA 1.508 62.816 61.300 0.013 0.000 1.402 20 I CB -0.181 37.825 38.000 0.011 0.000 1.069 20 I HN 0.344 nan 8.210 nan 0.000 0.424 21 L N -0.015 121.215 121.223 0.011 0.000 2.628 21 L HA 0.141 4.483 4.340 0.003 0.000 0.229 21 L C 0.887 177.762 176.870 0.008 0.000 1.137 21 L CA 0.205 55.050 54.840 0.009 0.000 0.909 21 L CB -1.265 40.798 42.059 0.007 0.000 1.137 21 L HN 0.249 nan 8.230 nan 0.000 0.470 22 N N 1.102 119.808 118.700 0.010 0.000 2.716 22 N HA -0.249 4.493 4.740 0.003 0.000 0.250 22 N C -0.037 175.477 175.510 0.006 0.000 1.033 22 N CA 0.707 53.763 53.050 0.010 0.000 0.727 22 N CB -0.397 38.094 38.487 0.008 0.000 0.950 22 N HN 0.403 nan 8.380 nan 0.000 0.541 23 K N 0.584 120.988 120.400 0.006 0.000 2.098 23 K HA 0.510 4.832 4.320 0.003 0.000 0.258 23 K C 0.257 176.858 176.600 0.003 0.000 0.973 23 K CA -0.420 55.869 56.287 0.003 0.000 0.898 23 K CB 1.459 33.960 32.500 0.002 0.000 1.057 23 K HN 0.128 nan 8.250 nan 0.000 0.447 24 R N 1.382 121.882 120.500 -0.000 0.000 2.725 24 R HA 0.469 4.811 4.340 0.003 0.000 0.277 24 R C -0.858 175.439 176.300 -0.004 0.000 0.987 24 R CA -0.823 55.275 56.100 -0.003 0.000 0.901 24 R CB 1.575 31.871 30.300 -0.007 0.000 1.207 24 R HN 0.465 nan 8.270 nan 0.000 0.463 25 I N 2.914 123.481 120.570 -0.005 0.000 2.354 25 I HA 0.304 4.476 4.170 0.003 0.000 0.292 25 I C -2.172 173.937 176.117 -0.012 0.000 0.989 25 I CA -2.463 58.834 61.300 -0.007 0.000 1.188 25 I CB 1.882 39.879 38.000 -0.004 0.000 1.342 25 I HN 0.200 nan 8.210 nan 0.000 0.457 26 P HA 0.013 nan 4.420 nan 0.000 0.265 26 P C -0.971 176.315 177.300 -0.023 0.000 1.193 26 P CA -0.041 63.048 63.100 -0.018 0.000 0.765 26 P CB 0.382 32.073 31.700 -0.014 0.000 0.823 27 N N 3.079 121.763 118.700 -0.027 0.000 2.408 27 N HA 0.400 5.141 4.740 0.003 0.000 0.280 27 N C -1.267 174.223 175.510 -0.034 0.000 1.002 27 N CA -0.475 52.555 53.050 -0.034 0.000 0.907 27 N CB 0.275 38.741 38.487 -0.036 0.000 1.161 27 N HN 0.181 nan 8.380 nan 0.000 0.488 28 I N 2.111 122.660 120.570 -0.035 0.000 2.406 28 I HA 0.279 4.451 4.170 0.003 0.000 0.290 28 I C 0.430 176.523 176.117 -0.040 0.000 0.999 28 I CA -0.816 60.468 61.300 -0.027 0.000 1.124 28 I CB 1.492 39.497 38.000 0.008 0.000 1.289 28 I HN 0.509 nan 8.210 nan 0.000 0.441 29 N N 7.931 126.593 118.700 -0.062 0.000 2.416 29 N HA 0.125 4.866 4.740 0.003 0.000 0.265 29 N C -1.574 173.852 175.510 -0.141 0.000 1.195 29 N CA -1.295 51.702 53.050 -0.089 0.000 0.943 29 N CB 1.023 39.457 38.487 -0.088 0.000 1.115 29 N HN 0.375 nan 8.380 nan 0.000 0.481 30 P HA -0.092 nan 4.420 nan 0.000 0.226 30 P C 0.903 177.914 177.300 -0.483 0.000 1.153 30 P CA 0.752 63.724 63.100 -0.212 0.000 0.777 30 P CB 0.330 31.981 31.700 -0.081 0.000 0.794 31 S N -0.509 115.004 115.700 -0.311 0.000 2.470 31 S HA -0.023 4.449 4.470 0.003 0.000 0.225 31 S C 1.615 176.143 174.600 -0.119 0.000 1.006 31 S CA 1.664 59.745 58.200 -0.198 0.000 0.934 31 S CB -0.618 62.564 63.200 -0.030 0.000 0.778 31 S HN 0.340 nan 8.310 nan 0.000 0.517 32 T N -2.794 111.645 114.554 -0.193 0.000 2.975 32 T HA 0.394 4.745 4.350 0.003 0.000 0.261 32 T C 0.386 174.956 174.700 -0.217 0.000 0.984 32 T CA 0.425 62.431 62.100 -0.157 0.000 0.911 32 T CB -0.104 68.705 68.868 -0.098 0.000 1.127 32 T HN 0.409 nan 8.240 nan 0.000 0.514 33 E N 0.544 120.552 120.200 -0.320 0.000 3.916 33 E HA -0.149 4.202 4.350 0.003 0.000 0.331 33 E C -0.682 175.843 176.600 -0.126 0.000 0.729 33 E CA 0.496 56.719 56.400 -0.294 0.000 1.222 33 E CB -1.351 28.161 29.700 -0.314 0.000 1.633 33 E HN 0.535 nan 8.360 nan 0.000 0.437 34 N N 0.737 119.373 118.700 -0.107 0.000 2.524 34 N HA 0.291 5.033 4.740 0.003 0.000 0.283 34 N C 0.263 175.742 175.510 -0.052 0.000 1.142 34 N CA -0.098 52.912 53.050 -0.067 0.000 0.984 34 N CB 0.603 39.052 38.487 -0.062 0.000 1.155 34 N HN 0.073 nan 8.380 nan 0.000 0.467 35 I N 1.568 122.115 120.570 -0.038 0.000 2.618 35 I HA -0.004 4.168 4.170 0.003 0.000 0.284 35 I C 1.514 177.608 176.117 -0.037 0.000 1.146 35 I CA 0.458 61.739 61.300 -0.033 0.000 1.425 35 I CB 0.526 38.510 38.000 -0.026 0.000 1.383 35 I HN 0.512 nan 8.210 nan 0.000 0.562 36 I N 4.324 124.870 120.570 -0.039 0.000 4.240 36 I HA 0.398 4.569 4.170 0.003 0.000 0.331 36 I C 0.608 176.701 176.117 -0.040 0.000 1.381 36 I CA 0.256 61.532 61.300 -0.041 0.000 1.136 36 I CB 0.326 38.299 38.000 -0.045 0.000 1.137 36 I HN 0.785 nan 8.210 nan 0.000 0.411 37 G N 0.574 109.352 108.800 -0.038 0.000 2.344 37 G HA2 0.252 4.214 3.960 0.003 0.000 0.282 37 G HA3 0.252 4.214 3.960 0.003 0.000 0.282 37 G C -2.255 172.625 174.900 -0.035 0.000 1.281 37 G CA -0.024 45.053 45.100 -0.039 0.000 0.877 37 G HN 0.157 nan 8.290 nan 0.000 0.494 38 D N -1.477 118.901 120.400 -0.036 0.000 2.596 38 D HA 0.668 5.309 4.640 0.003 0.000 0.262 38 D C -0.411 175.871 176.300 -0.030 0.000 1.210 38 D CA -0.428 53.554 54.000 -0.030 0.000 0.873 38 D CB 1.522 42.307 40.800 -0.025 0.000 1.408 38 D HN 1.281 nan 8.370 nan 0.000 0.441 39 I N -4.541 116.018 120.570 -0.019 0.000 2.828 39 I HA 0.658 4.829 4.170 0.003 0.000 0.302 39 I C -2.834 173.284 176.117 0.001 0.000 1.101 39 I CA -2.642 58.651 61.300 -0.011 0.000 1.031 39 I CB 2.802 40.800 38.000 -0.003 0.000 1.231 39 I HN 0.027 nan 8.210 nan 0.000 0.427 40 P HA 0.148 nan 4.420 nan 0.000 0.271 40 P C -0.732 176.582 177.300 0.024 0.000 1.216 40 P CA -0.101 63.014 63.100 0.025 0.000 0.776 40 P CB 1.089 32.820 31.700 0.052 0.000 0.881 41 A N 2.944 125.772 122.820 0.014 0.000 2.412 41 A HA 0.585 4.906 4.320 0.003 0.000 0.334 41 A C 0.516 178.103 177.584 0.005 0.000 1.419 41 A CA -0.674 51.365 52.037 0.004 0.000 0.930 41 A CB -0.264 18.732 19.000 -0.006 0.000 1.149 41 A HN 0.597 nan 8.150 nan 0.000 0.515 42 A N 2.129 124.955 122.820 0.011 0.000 2.425 42 A HA 0.594 4.916 4.320 0.003 0.000 0.249 42 A C 0.695 178.277 177.584 -0.003 0.000 1.084 42 A CA 0.605 52.650 52.037 0.012 0.000 0.781 42 A CB 0.261 19.274 19.000 0.022 0.000 1.019 42 A HN 0.965 nan 8.150 nan 0.000 0.490 43 T N -0.262 114.293 114.554 0.002 0.000 2.905 43 T HA 0.351 4.703 4.350 0.003 0.000 0.283 43 T C 1.332 176.038 174.700 0.010 0.000 1.031 43 T CA -0.005 62.093 62.100 -0.002 0.000 1.002 43 T CB 1.186 70.054 68.868 -0.001 0.000 1.200 43 T HN 0.745 nan 8.240 nan 0.000 0.560 44 K N 0.705 121.113 120.400 0.014 0.000 2.059 44 K HA -0.191 4.130 4.320 0.003 0.000 0.212 44 K C 1.783 178.406 176.600 0.039 0.000 1.050 44 K CA 2.517 58.822 56.287 0.030 0.000 0.927 44 K CB -0.177 32.338 32.500 0.024 0.000 0.714 44 K HN 0.695 nan 8.250 nan 0.000 0.447 45 E N 0.069 120.285 120.200 0.026 0.000 2.150 45 E HA -0.156 4.195 4.350 0.003 0.000 0.193 45 E C 1.645 178.258 176.600 0.022 0.000 0.985 45 E CA 1.226 57.642 56.400 0.026 0.000 0.814 45 E CB 0.027 29.737 29.700 0.017 0.000 0.752 45 E HN 0.429 nan 8.360 nan 0.000 0.466 46 D N 0.149 120.559 120.400 0.017 0.000 2.117 46 D HA -0.114 4.528 4.640 0.003 0.000 0.198 46 D C 2.076 178.379 176.300 0.005 0.000 0.982 46 D CA 0.793 54.799 54.000 0.010 0.000 0.828 46 D CB -0.080 40.728 40.800 0.014 0.000 0.967 46 D HN 0.053 nan 8.370 nan 0.000 0.464 47 V N 1.886 121.812 119.914 0.019 0.000 2.343 47 V HA -0.219 3.903 4.120 0.003 0.000 0.247 47 V C 1.970 178.067 176.094 0.006 0.000 1.051 47 V CA 1.646 63.956 62.300 0.016 0.000 1.036 47 V CB -0.454 31.398 31.823 0.050 0.000 0.654 47 V HN 0.030 nan 8.190 nan 0.000 0.451 48 D N 0.329 120.773 120.400 0.073 0.000 2.116 48 D HA -0.182 4.460 4.640 0.003 0.000 0.193 48 D C 2.088 178.394 176.300 0.011 0.000 0.998 48 D CA 1.456 55.523 54.000 0.113 0.000 0.836 48 D CB -0.318 40.558 40.800 0.125 0.000 0.951 48 D HN 0.359 nan 8.370 nan 0.000 0.449 49 L N 0.260 121.477 121.223 -0.010 0.000 2.141 49 L HA -0.088 4.253 4.340 0.003 0.000 0.209 49 L C 2.459 179.281 176.870 -0.081 0.000 1.094 49 L CA 0.921 55.738 54.840 -0.040 0.000 0.763 49 L CB -0.298 41.739 42.059 -0.036 0.000 0.908 49 L HN -0.023 nan 8.230 nan 0.000 0.437 50 A N -0.441 122.326 122.820 -0.089 0.000 1.897 50 A HA -0.081 4.240 4.320 0.003 0.000 0.215 50 A C 2.294 179.789 177.584 -0.148 0.000 1.181 50 A CA 1.248 53.215 52.037 -0.117 0.000 0.620 50 A CB -0.572 18.375 19.000 -0.088 0.000 0.821 50 A HN 0.164 nan 8.150 nan 0.000 0.443 51 V N 0.723 120.515 119.914 -0.203 0.000 2.379 51 V HA -0.201 3.921 4.120 0.003 0.000 0.245 51 V C 2.076 178.054 176.094 -0.194 0.000 1.044 51 V CA 2.127 64.247 62.300 -0.299 0.000 1.036 51 V CB -0.814 30.554 31.823 -0.757 0.000 0.664 51 V HN 0.467 nan 8.190 nan 0.000 0.453 52 D N 0.884 121.205 120.400 -0.132 0.000 2.104 52 D HA -0.149 4.492 4.640 0.003 0.000 0.194 52 D C 2.249 178.503 176.300 -0.077 0.000 0.994 52 D CA 1.744 55.703 54.000 -0.068 0.000 0.830 52 D CB -0.427 40.352 40.800 -0.034 0.000 0.959 52 D HN 0.434 nan 8.370 nan 0.000 0.452 53 A N 1.037 123.796 122.820 -0.102 0.000 1.902 53 A HA -0.070 4.252 4.320 0.003 0.000 0.217 53 A C 2.323 179.835 177.584 -0.119 0.000 1.181 53 A CA 2.369 54.334 52.037 -0.120 0.000 0.623 53 A CB -0.774 18.128 19.000 -0.163 0.000 0.818 53 A HN 0.245 nan 8.150 nan 0.000 0.443 54 A N -0.527 122.221 122.820 -0.121 0.000 1.877 54 A HA -0.157 4.164 4.320 0.003 0.000 0.216 54 A C 2.170 179.715 177.584 -0.064 0.000 1.186 54 A CA 1.783 53.757 52.037 -0.106 0.000 0.620 54 A CB -0.427 18.511 19.000 -0.103 0.000 0.822 54 A HN 0.389 nan 8.150 nan 0.000 0.443 55 K N -0.653 119.715 120.400 -0.054 0.000 2.032 55 K HA -0.148 4.173 4.320 0.003 0.000 0.209 55 K C 2.274 178.867 176.600 -0.013 0.000 1.048 55 K CA 1.662 57.936 56.287 -0.021 0.000 0.927 55 K CB -0.246 32.246 32.500 -0.013 0.000 0.712 55 K HN 0.426 nan 8.250 nan 0.000 0.441 56 R N 0.163 120.646 120.500 -0.028 0.000 2.096 56 R HA -0.094 4.247 4.340 0.003 0.000 0.235 56 R C 2.119 178.409 176.300 -0.018 0.000 1.127 56 R CA 1.355 57.441 56.100 -0.024 0.000 0.968 56 R CB -0.196 30.079 30.300 -0.040 0.000 0.861 56 R HN 0.202 nan 8.270 nan 0.000 0.440 57 A N 0.644 123.443 122.820 -0.034 0.000 2.067 57 A HA -0.083 4.238 4.320 0.003 0.000 0.219 57 A C 1.808 179.422 177.584 0.051 0.000 1.158 57 A CA 1.320 53.343 52.037 -0.023 0.000 0.661 57 A CB -0.427 18.515 19.000 -0.096 0.000 0.801 57 A HN 0.539 nan 8.150 nan 0.000 0.452 58 I N -4.319 116.282 120.570 0.052 0.000 3.974 58 I HA 0.327 4.498 4.170 0.003 0.000 0.334 58 I C 0.491 176.644 176.117 0.059 0.000 1.437 58 I CA -0.260 61.093 61.300 0.088 0.000 1.113 58 I CB 0.443 38.504 38.000 0.101 0.000 1.063 58 I HN 0.018 nan 8.210 nan 0.000 0.400 59 S N 1.527 117.251 115.700 0.040 0.000 2.523 59 S HA 0.264 4.736 4.470 0.003 0.000 0.275 59 S C 1.027 175.646 174.600 0.032 0.000 1.281 59 S CA -0.426 57.792 58.200 0.030 0.000 1.050 59 S CB 0.969 64.181 63.200 0.019 0.000 0.937 59 S HN 0.482 nan 8.310 nan 0.000 0.492 60 R N 3.030 123.548 120.500 0.029 0.000 2.339 60 R HA 0.163 4.505 4.340 0.003 0.000 0.199 60 R C 0.817 177.130 176.300 0.021 0.000 1.018 60 R CA 1.117 57.232 56.100 0.026 0.000 1.036 60 R CB -0.209 30.105 30.300 0.023 0.000 0.899 60 R HN 0.433 nan 8.270 nan 0.000 0.473 61 K N -0.195 120.217 120.400 0.019 0.000 2.569 61 K HA 0.067 4.389 4.320 0.003 0.000 0.193 61 K C -0.298 176.311 176.600 0.015 0.000 1.026 61 K CA 0.133 56.429 56.287 0.015 0.000 1.093 61 K CB -0.234 32.274 32.500 0.012 0.000 0.849 61 K HN 0.043 nan 8.250 nan 0.000 0.509 62 N N 0.056 118.768 118.700 0.020 0.000 2.372 62 N HA 0.307 5.049 4.740 0.003 0.000 0.285 62 N C -0.558 174.969 175.510 0.029 0.000 1.008 62 N CA -0.478 52.586 53.050 0.022 0.000 0.880 62 N CB 1.300 39.802 38.487 0.025 0.000 1.239 62 N HN 0.089 nan 8.380 nan 0.000 0.484 63 G N 1.780 110.597 108.800 0.027 0.000 2.527 63 G HA2 0.281 4.243 3.960 0.003 0.000 0.248 63 G HA3 0.281 4.243 3.960 0.003 0.000 0.248 63 G C 0.095 175.023 174.900 0.046 0.000 1.231 63 G CA -0.240 44.880 45.100 0.033 0.000 0.838 63 G HN 0.814 nan 8.290 nan 0.000 0.570 64 R N -0.446 120.089 120.500 0.059 0.000 3.963 64 R HA -0.149 4.193 4.340 0.003 0.000 0.394 64 R C 0.031 176.398 176.300 0.111 0.000 1.131 64 R CA 0.825 56.978 56.100 0.088 0.000 1.059 64 R CB -1.548 28.804 30.300 0.086 0.000 1.614 64 R HN 0.757 nan 8.270 nan 0.000 0.546 65 D N 0.555 121.007 120.400 0.085 0.000 2.662 65 D HA -0.165 4.477 4.640 0.003 0.000 0.237 65 D C 1.161 177.545 176.300 0.140 0.000 1.154 65 D CA 0.475 54.535 54.000 0.100 0.000 0.861 65 D CB 0.077 40.912 40.800 0.060 0.000 1.146 65 D HN 0.322 nan 8.370 nan 0.000 0.518 66 W N 3.585 124.874 121.300 -0.018 0.000 2.381 66 W HA -0.228 4.433 4.660 0.002 0.000 0.301 66 W C 1.839 178.358 176.519 -0.000 0.000 1.205 66 W CA 1.537 58.870 57.345 -0.020 0.000 1.285 66 W CB -0.283 29.149 29.460 -0.046 0.000 1.133 66 W HN 0.561 nan 8.180 nan 0.000 0.521 67 S N 0.600 116.367 115.700 0.112 0.000 2.447 67 S HA -0.054 4.417 4.470 0.003 0.000 0.233 67 S C 1.757 176.329 174.600 -0.046 0.000 1.006 67 S CA 1.145 59.357 58.200 0.019 0.000 0.957 67 S CB -0.510 62.740 63.200 0.083 0.000 0.773 67 S HN 0.208 nan 8.310 nan 0.000 0.507 68 A N 0.869 123.669 122.820 -0.034 0.000 2.252 68 A HA 0.765 5.086 4.320 0.003 0.000 0.213 68 A C 1.176 178.720 177.584 -0.067 0.000 1.188 68 A CA 0.229 52.245 52.037 -0.035 0.000 0.863 68 A CB -0.573 18.426 19.000 -0.003 0.000 0.893 68 A HN 0.754 nan 8.150 nan 0.000 0.495 69 A N 0.927 123.676 122.820 -0.118 0.000 2.448 69 A HA 0.470 4.791 4.320 0.003 0.000 0.239 69 A C 0.985 178.477 177.584 -0.154 0.000 1.080 69 A CA 0.360 52.315 52.037 -0.138 0.000 0.779 69 A CB -0.208 18.665 19.000 -0.210 0.000 1.026 69 A HN 1.147 nan 8.150 nan 0.000 0.499 70 S N 0.913 116.546 115.700 -0.111 0.000 2.572 70 S HA 0.331 4.803 4.470 0.003 0.000 0.279 70 S C 1.325 175.844 174.600 -0.135 0.000 1.341 70 S CA -0.147 57.993 58.200 -0.099 0.000 1.043 70 S CB 0.940 64.101 63.200 -0.065 0.000 0.887 70 S HN 1.411 nan 8.310 nan 0.000 0.516 71 G N 1.346 110.078 108.800 -0.113 0.000 2.432 71 G HA2 -0.203 3.759 3.960 0.003 0.000 0.219 71 G HA3 -0.203 3.759 3.960 0.003 0.000 0.219 71 G C 1.608 176.459 174.900 -0.082 0.000 1.135 71 G CA 0.847 45.880 45.100 -0.111 0.000 0.767 71 G HN 1.079 nan 8.290 nan 0.000 0.550 72 S N 0.090 115.752 115.700 -0.063 0.000 2.453 72 S HA 0.031 4.503 4.470 0.003 0.000 0.231 72 S C 2.197 176.775 174.600 -0.037 0.000 1.005 72 S CA 1.028 59.203 58.200 -0.041 0.000 0.949 72 S CB -0.159 63.019 63.200 -0.037 0.000 0.774 72 S HN 0.193 nan 8.310 nan 0.000 0.510 73 L N 1.910 123.103 121.223 -0.050 0.000 2.056 73 L HA 0.158 4.499 4.340 0.003 0.000 0.207 73 L C 2.582 179.477 176.870 0.042 0.000 1.078 73 L CA 1.523 56.352 54.840 -0.019 0.000 0.749 73 L CB -0.670 41.383 42.059 -0.009 0.000 0.901 73 L HN 0.173 nan 8.230 nan 0.000 0.433 74 R N -0.486 119.966 120.500 -0.081 0.000 2.081 74 R HA -0.114 4.228 4.340 0.003 0.000 0.235 74 R C 2.261 178.663 176.300 0.170 0.000 1.131 74 R CA 1.268 57.330 56.100 -0.064 0.000 0.960 74 R CB -0.692 29.401 30.300 -0.346 0.000 0.856 74 R HN 0.527 nan 8.270 nan 0.000 0.436 75 A N 1.335 124.203 122.820 0.079 0.000 1.908 75 A HA -0.216 4.106 4.320 0.003 0.000 0.218 75 A C 2.107 179.751 177.584 0.100 0.000 1.181 75 A CA 1.441 53.537 52.037 0.098 0.000 0.627 75 A CB -0.418 18.606 19.000 0.039 0.000 0.818 75 A HN 0.241 nan 8.150 nan 0.000 0.445 76 R N -2.022 118.502 120.500 0.041 0.000 2.091 76 R HA -0.160 4.182 4.340 0.003 0.000 0.238 76 R C 2.002 178.275 176.300 -0.045 0.000 1.136 76 R CA 1.846 57.920 56.100 -0.044 0.000 0.959 76 R CB -0.480 29.731 30.300 -0.149 0.000 0.856 76 R HN 0.673 nan 8.270 nan 0.000 0.437 77 Y N 0.640 121.021 120.300 0.134 0.000 2.242 77 Y HA -0.141 4.411 4.550 0.003 0.000 0.291 77 Y C 2.107 178.080 175.900 0.122 0.000 1.137 77 Y CA 1.103 59.299 58.100 0.161 0.000 1.181 77 Y CB -0.224 38.423 38.460 0.313 0.000 0.989 77 Y HN -0.009 nan 8.280 nan 0.000 0.527 78 L N -0.669 120.744 121.223 0.317 0.000 2.056 78 L HA -0.191 4.151 4.340 0.003 0.000 0.207 78 L C 2.447 179.404 176.870 0.146 0.000 1.078 78 L CA 1.261 56.262 54.840 0.268 0.000 0.749 78 L CB -0.475 41.810 42.059 0.376 0.000 0.901 78 L HN 0.110 nan 8.230 nan 0.000 0.433 79 R N 0.101 120.673 120.500 0.120 0.000 2.096 79 R HA -0.101 4.240 4.340 0.003 0.000 0.235 79 R C 2.386 178.699 176.300 0.023 0.000 1.127 79 R CA 1.291 57.434 56.100 0.071 0.000 0.968 79 R CB -0.463 29.868 30.300 0.051 0.000 0.861 79 R HN 0.344 nan 8.270 nan 0.000 0.440 80 A N 1.158 123.985 122.820 0.011 0.000 1.969 80 A HA -0.087 4.235 4.320 0.003 0.000 0.218 80 A C 2.120 179.682 177.584 -0.037 0.000 1.169 80 A CA 0.972 53.004 52.037 -0.008 0.000 0.635 80 A CB -0.320 18.674 19.000 -0.009 0.000 0.810 80 A HN 0.148 nan 8.150 nan 0.000 0.445 81 I N -0.295 120.219 120.570 -0.092 0.000 2.202 81 I HA -0.242 3.930 4.170 0.003 0.000 0.242 81 I C 2.984 178.931 176.117 -0.283 0.000 1.091 81 I CA 0.955 62.104 61.300 -0.252 0.000 1.368 81 I CB -0.334 37.352 38.000 -0.523 0.000 1.058 81 I HN 0.338 nan 8.210 nan 0.000 0.410 82 A N 0.845 123.524 122.820 -0.236 0.000 1.917 82 A HA -0.259 4.063 4.320 0.003 0.000 0.219 82 A C 2.522 180.098 177.584 -0.014 0.000 1.182 82 A CA 2.213 54.212 52.037 -0.064 0.000 0.633 82 A CB -0.954 18.097 19.000 0.085 0.000 0.819 82 A HN 0.454 nan 8.150 nan 0.000 0.448 83 A N -0.727 122.087 122.820 -0.010 0.000 1.898 83 A HA -0.122 4.200 4.320 0.003 0.000 0.216 83 A C 2.089 179.677 177.584 0.007 0.000 1.181 83 A CA 2.251 54.292 52.037 0.008 0.000 0.620 83 A CB -0.368 18.636 19.000 0.007 0.000 0.819 83 A HN 0.444 nan 8.150 nan 0.000 0.442 84 K N -0.004 120.391 120.400 -0.009 0.000 2.097 84 K HA 0.070 4.392 4.320 0.003 0.000 0.205 84 K C 1.583 178.197 176.600 0.024 0.000 1.050 84 K CA 1.207 57.497 56.287 0.004 0.000 0.938 84 K CB -0.421 32.075 32.500 -0.006 0.000 0.718 84 K HN 0.518 nan 8.250 nan 0.000 0.442 85 I N 0.362 120.943 120.570 0.019 0.000 2.252 85 I HA -0.258 3.914 4.170 0.003 0.000 0.245 85 I C 2.313 178.470 176.117 0.067 0.000 1.102 85 I CA 1.128 62.469 61.300 0.069 0.000 1.385 85 I CB -0.175 37.851 38.000 0.044 0.000 1.064 85 I HN 0.165 nan 8.210 nan 0.000 0.414 86 K N 1.088 121.515 120.400 0.046 0.000 2.097 86 K HA -0.207 4.115 4.320 0.003 0.000 0.206 86 K C 1.936 178.564 176.600 0.047 0.000 1.049 86 K CA 1.495 57.812 56.287 0.049 0.000 0.933 86 K CB 0.051 32.578 32.500 0.045 0.000 0.717 86 K HN 0.329 nan 8.250 nan 0.000 0.442 87 E N 0.206 120.431 120.200 0.041 0.000 2.077 87 E HA -0.155 4.197 4.350 0.003 0.000 0.193 87 E C 1.230 177.855 176.600 0.043 0.000 0.989 87 E CA 1.141 57.563 56.400 0.037 0.000 0.800 87 E CB 0.133 29.851 29.700 0.030 0.000 0.746 87 E HN 0.198 nan 8.360 nan 0.000 0.452 88 K N 0.934 121.366 120.400 0.054 0.000 2.437 88 K HA 0.044 4.365 4.320 0.003 0.000 0.198 88 K C 1.551 178.197 176.600 0.075 0.000 1.024 88 K CA -0.102 56.221 56.287 0.060 0.000 1.148 88 K CB 0.256 32.795 32.500 0.065 0.000 0.860 88 K HN -0.002 nan 8.250 nan 0.000 0.515 89 K N 1.794 122.239 120.400 0.075 0.000 2.034 89 K HA -0.242 4.079 4.320 0.003 0.000 0.214 89 K C 0.971 177.618 176.600 0.077 0.000 1.051 89 K CA 2.069 58.406 56.287 0.084 0.000 0.931 89 K CB 0.070 32.611 32.500 0.069 0.000 0.715 89 K HN 0.082 nan 8.250 nan 0.000 0.446 90 D N 0.147 120.582 120.400 0.058 0.000 2.144 90 D HA -0.163 4.479 4.640 0.003 0.000 0.199 90 D C 1.966 178.292 176.300 0.044 0.000 0.984 90 D CA 1.209 55.238 54.000 0.048 0.000 0.834 90 D CB -0.086 40.736 40.800 0.037 0.000 0.955 90 D HN 0.372 nan 8.370 nan 0.000 0.465 91 E N 0.819 121.044 120.200 0.043 0.000 2.072 91 E HA -0.045 4.307 4.350 0.003 0.000 0.190 91 E C 2.266 178.890 176.600 0.039 0.000 0.982 91 E CA 0.550 56.969 56.400 0.032 0.000 0.803 91 E CB -0.368 29.347 29.700 0.025 0.000 0.755 91 E HN 0.206 nan 8.360 nan 0.000 0.453 92 L N -0.286 120.977 121.223 0.067 0.000 2.093 92 L HA -0.015 4.327 4.340 0.003 0.000 0.208 92 L C 2.465 179.393 176.870 0.098 0.000 1.085 92 L CA 1.158 56.052 54.840 0.090 0.000 0.755 92 L CB -0.739 41.432 42.059 0.187 0.000 0.904 92 L HN 0.320 nan 8.230 nan 0.000 0.435 93 G N 0.011 108.870 108.800 0.098 0.000 2.440 93 G HA2 -0.306 3.655 3.960 0.003 0.000 0.218 93 G HA3 -0.306 3.655 3.960 0.003 0.000 0.218 93 G C 1.677 176.605 174.900 0.047 0.000 1.154 93 G CA 0.873 46.022 45.100 0.082 0.000 0.767 93 G HN 0.282 nan 8.290 nan 0.000 0.552 94 K N -0.049 120.371 120.400 0.034 0.000 2.026 94 K HA 0.025 4.347 4.320 0.003 0.000 0.208 94 K C 2.538 179.140 176.600 0.003 0.000 1.048 94 K CA 0.990 57.286 56.287 0.015 0.000 0.929 94 K CB -0.286 32.220 32.500 0.010 0.000 0.713 94 K HN 0.337 nan 8.250 nan 0.000 0.439 95 L N 0.580 121.804 121.223 0.002 0.000 2.083 95 L HA -0.166 4.175 4.340 0.003 0.000 0.209 95 L C 2.508 179.367 176.870 -0.017 0.000 1.083 95 L CA 1.299 56.130 54.840 -0.016 0.000 0.752 95 L CB -0.382 41.659 42.059 -0.029 0.000 0.899 95 L HN 0.290 nan 8.230 nan 0.000 0.433 96 E N -0.287 119.916 120.200 0.005 0.000 2.110 96 E HA -0.220 4.132 4.350 0.003 0.000 0.193 96 E C 2.343 178.936 176.600 -0.013 0.000 0.988 96 E CA 1.491 57.897 56.400 0.010 0.000 0.804 96 E CB -0.022 29.713 29.700 0.060 0.000 0.745 96 E HN 0.239 nan 8.360 nan 0.000 0.458 97 S N -0.865 114.826 115.700 -0.014 0.000 2.371 97 S HA -0.028 4.444 4.470 0.003 0.000 0.224 97 S C 1.856 176.432 174.600 -0.040 0.000 1.029 97 S CA 1.000 59.181 58.200 -0.031 0.000 0.978 97 S CB -0.252 62.936 63.200 -0.020 0.000 0.833 97 S HN 0.344 nan 8.310 nan 0.000 0.466 98 I N 1.360 121.910 120.570 -0.033 0.000 2.394 98 I HA -0.120 4.052 4.170 0.003 0.000 0.251 98 I C 2.255 178.342 176.117 -0.050 0.000 1.136 98 I CA 1.296 62.572 61.300 -0.042 0.000 1.425 98 I CB -0.288 37.691 38.000 -0.036 0.000 1.079 98 I HN 0.294 nan 8.210 nan 0.000 0.425 99 D N 0.405 120.779 120.400 -0.043 0.000 2.123 99 D HA -0.137 4.505 4.640 0.003 0.000 0.200 99 D C 2.105 178.378 176.300 -0.045 0.000 0.976 99 D CA 1.504 55.479 54.000 -0.042 0.000 0.831 99 D CB 0.125 40.906 40.800 -0.032 0.000 0.974 99 D HN 0.511 nan 8.370 nan 0.000 0.469 100 C N -2.669 116.607 119.300 -0.040 0.000 3.230 100 C HA 0.706 5.168 4.460 0.003 0.000 0.300 100 C C 1.785 176.730 174.990 -0.075 0.000 1.292 100 C CA 0.478 59.475 59.018 -0.034 0.000 1.707 100 C CB 0.116 27.872 27.740 0.027 0.000 2.181 100 C HN 0.386 nan 8.230 nan 0.000 0.655 101 G N 1.926 110.672 108.800 -0.090 0.000 2.141 101 G HA2 -0.219 3.743 3.960 0.003 0.000 0.242 101 G HA3 -0.219 3.743 3.960 0.003 0.000 0.242 101 G C -0.109 174.718 174.900 -0.123 0.000 0.982 101 G CA 0.402 45.431 45.100 -0.118 0.000 0.662 101 G HN 1.031 nan 8.290 nan 0.000 0.527 102 K N 0.244 120.566 120.400 -0.131 0.000 2.218 102 K HA 0.628 4.949 4.320 0.003 0.000 0.276 102 K C -2.629 173.897 176.600 -0.124 0.000 1.022 102 K CA -1.977 54.203 56.287 -0.177 0.000 0.946 102 K CB 1.308 33.646 32.500 -0.270 0.000 1.000 102 K HN 0.010 nan 8.250 nan 0.000 0.468 103 P HA -0.133 nan 4.420 nan 0.000 0.265 103 P C 0.636 177.912 177.300 -0.040 0.000 1.187 103 P CA -0.259 62.809 63.100 -0.054 0.000 0.766 103 P CB 0.353 32.027 31.700 -0.043 0.000 0.820 104 L N 4.427 125.645 121.223 -0.009 0.000 2.034 104 L HA -0.265 4.076 4.340 0.003 0.000 0.217 104 L C 1.916 178.801 176.870 0.025 0.000 1.077 104 L CA 2.059 56.904 54.840 0.008 0.000 0.769 104 L CB -1.092 40.977 42.059 0.016 0.000 0.890 104 L HN 0.440 nan 8.230 nan 0.000 0.435 105 E N -0.910 119.313 120.200 0.038 0.000 2.204 105 E HA -0.229 4.122 4.350 0.003 0.000 0.195 105 E C 2.002 178.660 176.600 0.096 0.000 0.990 105 E CA 1.302 57.744 56.400 0.070 0.000 0.821 105 E CB -0.072 29.680 29.700 0.086 0.000 0.750 105 E HN 0.674 nan 8.360 nan 0.000 0.477 106 E N 0.500 120.730 120.200 0.051 0.000 2.046 106 E HA -0.139 4.213 4.350 0.003 0.000 0.190 106 E C 2.151 178.782 176.600 0.051 0.000 0.982 106 E CA 0.777 57.201 56.400 0.040 0.000 0.800 106 E CB -0.087 29.464 29.700 -0.249 0.000 0.756 106 E HN 0.192 nan 8.360 nan 0.000 0.449 107 A N 1.353 124.178 122.820 0.009 0.000 1.908 107 A HA -0.186 4.136 4.320 0.003 0.000 0.218 107 A C 2.113 179.744 177.584 0.078 0.000 1.181 107 A CA 1.121 53.178 52.037 0.035 0.000 0.627 107 A CB -0.461 18.550 19.000 0.019 0.000 0.818 107 A HN 0.102 nan 8.150 nan 0.000 0.445 108 L N -0.479 120.789 121.223 0.076 0.000 2.083 108 L HA -0.135 4.207 4.340 0.003 0.000 0.209 108 L C 2.958 179.886 176.870 0.097 0.000 1.083 108 L CA 1.862 56.752 54.840 0.083 0.000 0.752 108 L CB -1.353 40.751 42.059 0.074 0.000 0.899 108 L HN 0.426 nan 8.230 nan 0.000 0.433 109 A N -0.884 122.008 122.820 0.120 0.000 1.898 109 A HA -0.192 4.130 4.320 0.003 0.000 0.216 109 A C 2.015 179.678 177.584 0.132 0.000 1.181 109 A CA 1.623 53.743 52.037 0.139 0.000 0.620 109 A CB -0.579 18.539 19.000 0.198 0.000 0.819 109 A HN 0.368 nan 8.150 nan 0.000 0.442 110 D N -0.130 120.356 120.400 0.143 0.000 2.123 110 D HA -0.143 4.498 4.640 0.003 0.000 0.196 110 D C 1.754 178.097 176.300 0.070 0.000 0.992 110 D CA 1.125 55.200 54.000 0.126 0.000 0.833 110 D CB -0.328 40.561 40.800 0.148 0.000 0.954 110 D HN 0.351 nan 8.370 nan 0.000 0.455 111 L N 0.696 121.966 121.223 0.078 0.000 2.093 111 L HA -0.139 4.202 4.340 0.003 0.000 0.208 111 L C 1.798 178.692 176.870 0.040 0.000 1.085 111 L CA 1.218 56.086 54.840 0.046 0.000 0.755 111 L CB -0.203 41.912 42.059 0.093 0.000 0.904 111 L HN -0.078 nan 8.230 nan 0.000 0.435 112 D N -0.245 120.194 120.400 0.065 0.000 2.123 112 D HA -0.185 4.457 4.640 0.003 0.000 0.196 112 D C 1.725 178.067 176.300 0.070 0.000 0.992 112 D CA 1.315 55.356 54.000 0.069 0.000 0.833 112 D CB -0.175 40.672 40.800 0.077 0.000 0.954 112 D HN 0.334 nan 8.370 nan 0.000 0.455 113 D N -0.007 120.434 120.400 0.068 0.000 2.149 113 D HA -0.071 4.570 4.640 0.003 0.000 0.201 113 D C 2.336 178.677 176.300 0.070 0.000 0.972 113 D CA 0.233 54.279 54.000 0.077 0.000 0.835 113 D CB -0.310 40.543 40.800 0.088 0.000 0.966 113 D HN 0.068 nan 8.370 nan 0.000 0.476 114 V N 0.956 120.875 119.914 0.008 0.000 2.255 114 V HA -0.241 3.881 4.120 0.003 0.000 0.247 114 V C 2.706 178.864 176.094 0.106 0.000 1.051 114 V CA 1.236 63.504 62.300 -0.053 0.000 1.018 114 V CB -0.569 31.053 31.823 -0.335 0.000 0.641 114 V HN 0.056 nan 8.190 nan 0.000 0.445 115 V N 0.246 120.220 119.914 0.100 0.000 2.287 115 V HA -0.313 3.808 4.120 0.003 0.000 0.248 115 V C 2.698 178.902 176.094 0.184 0.000 1.053 115 V CA 2.263 64.657 62.300 0.157 0.000 1.027 115 V CB -1.203 30.677 31.823 0.095 0.000 0.646 115 V HN 0.589 nan 8.190 nan 0.000 0.447 116 A N -1.480 121.421 122.820 0.135 0.000 1.972 116 A HA -0.283 4.038 4.320 0.003 0.000 0.219 116 A C 2.381 180.056 177.584 0.153 0.000 1.169 116 A CA 2.063 54.177 52.037 0.130 0.000 0.635 116 A CB -1.003 18.054 19.000 0.095 0.000 0.810 116 A HN 0.641 nan 8.150 nan 0.000 0.446 117 C N -1.835 117.553 119.300 0.146 0.000 2.500 117 C HA 0.040 4.502 4.460 0.003 0.000 0.279 117 C C 2.366 177.491 174.990 0.225 0.000 1.288 117 C CA 0.889 60.000 59.018 0.154 0.000 1.710 117 C CB -1.511 26.301 27.740 0.120 0.000 2.052 117 C HN 0.581 nan 8.230 nan 0.000 0.488 118 F N 1.656 121.735 119.950 0.216 0.000 2.095 118 F HA -0.119 4.410 4.527 0.003 0.000 0.298 118 F C 2.438 178.349 175.800 0.185 0.000 1.104 118 F CA 2.375 60.497 58.000 0.203 0.000 1.232 118 F CB -0.803 38.271 39.000 0.124 0.000 0.987 118 F HN 0.359 nan 8.300 nan 0.000 0.475 119 E N -1.293 119.104 120.200 0.329 0.000 2.058 119 E HA -0.299 4.053 4.350 0.003 0.000 0.194 119 E C 2.057 178.754 176.600 0.162 0.000 0.997 119 E CA 1.677 58.203 56.400 0.210 0.000 0.801 119 E CB -0.515 29.284 29.700 0.164 0.000 0.746 119 E HN 0.535 nan 8.360 nan 0.000 0.450 120 Y N -0.059 120.251 120.300 0.017 0.000 2.181 120 Y HA -0.269 4.283 4.550 0.002 0.000 0.288 120 Y C 1.724 177.516 175.900 -0.180 0.000 1.146 120 Y CA 1.604 59.629 58.100 -0.125 0.000 1.164 120 Y CB -0.293 38.018 38.460 -0.249 0.000 0.982 120 Y HN 0.066 nan 8.280 nan 0.000 0.515 121 Y N -0.511 119.814 120.300 0.043 0.000 2.314 121 Y HA -0.066 4.486 4.550 0.003 0.000 0.293 121 Y C 2.618 178.504 175.900 -0.022 0.000 1.129 121 Y CA 0.698 58.775 58.100 -0.038 0.000 1.201 121 Y CB -0.579 37.926 38.460 0.076 0.000 0.999 121 Y HN 0.240 nan 8.280 nan 0.000 0.541 122 A N 0.406 123.334 122.820 0.180 0.000 1.917 122 A HA -0.226 4.095 4.320 0.003 0.000 0.219 122 A C 2.519 180.112 177.584 0.014 0.000 1.182 122 A CA 2.063 54.173 52.037 0.121 0.000 0.633 122 A CB -1.527 17.556 19.000 0.140 0.000 0.819 122 A HN 0.488 nan 8.150 nan 0.000 0.448 123 G N -0.705 108.055 108.800 -0.067 0.000 2.418 123 G HA2 -0.078 3.883 3.960 0.003 0.000 0.217 123 G HA3 -0.078 3.883 3.960 0.003 0.000 0.217 123 G C 1.379 176.185 174.900 -0.156 0.000 1.158 123 G CA 1.118 46.145 45.100 -0.121 0.000 0.771 123 G HN 0.357 nan 8.290 nan 0.000 0.545 124 L N 1.308 122.386 121.223 -0.241 0.000 2.083 124 L HA 0.107 4.448 4.340 0.003 0.000 0.209 124 L C 3.229 180.067 176.870 -0.054 0.000 1.083 124 L CA 1.557 56.292 54.840 -0.174 0.000 0.752 124 L CB -0.792 41.153 42.059 -0.191 0.000 0.899 124 L HN 0.284 nan 8.230 nan 0.000 0.433 125 A N -0.904 121.912 122.820 -0.008 0.000 1.877 125 A HA -0.241 4.080 4.320 0.003 0.000 0.216 125 A C 2.253 179.819 177.584 -0.030 0.000 1.186 125 A CA 1.734 53.770 52.037 -0.001 0.000 0.620 125 A CB -0.535 18.483 19.000 0.030 0.000 0.822 125 A HN 0.461 nan 8.150 nan 0.000 0.443 126 E N -0.412 119.768 120.200 -0.033 0.000 2.118 126 E HA -0.205 4.146 4.350 0.003 0.000 0.195 126 E C 1.874 178.446 176.600 -0.046 0.000 0.992 126 E CA 1.536 57.913 56.400 -0.039 0.000 0.804 126 E CB -0.113 29.566 29.700 -0.035 0.000 0.741 126 E HN 0.740 nan 8.360 nan 0.000 0.458 127 E N -0.101 120.067 120.200 -0.054 0.000 2.435 127 E HA -0.082 4.269 4.350 0.003 0.000 0.195 127 E C 1.781 178.352 176.600 -0.049 0.000 1.029 127 E CA -0.116 56.251 56.400 -0.054 0.000 0.865 127 E CB 0.180 29.841 29.700 -0.065 0.000 0.833 127 E HN 0.106 nan 8.360 nan 0.000 0.510 128 L N 1.640 122.836 121.223 -0.045 0.000 2.046 128 L HA -0.192 4.150 4.340 0.003 0.000 0.208 128 L C 1.401 178.246 176.870 -0.042 0.000 1.077 128 L CA 1.874 56.690 54.840 -0.039 0.000 0.747 128 L CB -0.255 41.786 42.059 -0.030 0.000 0.896 128 L HN -0.028 nan 8.230 nan 0.000 0.432 129 D N -0.690 119.682 120.400 -0.047 0.000 2.133 129 D HA -0.194 4.447 4.640 0.003 0.000 0.195 129 D C 2.332 178.602 176.300 -0.051 0.000 0.997 129 D CA 1.720 55.691 54.000 -0.049 0.000 0.840 129 D CB -0.338 40.431 40.800 -0.051 0.000 0.947 129 D HN 0.565 nan 8.370 nan 0.000 0.452 130 S N -0.444 115.226 115.700 -0.049 0.000 2.561 130 S HA 0.002 4.473 4.470 0.003 0.000 0.225 130 S C 1.439 176.009 174.600 -0.050 0.000 0.977 130 S CA 0.356 58.526 58.200 -0.050 0.000 0.926 130 S CB 0.007 63.180 63.200 -0.044 0.000 0.769 130 S HN 0.146 nan 8.310 nan 0.000 0.533 131 K N 0.501 120.873 120.400 -0.047 0.000 2.404 131 K HA 0.201 4.523 4.320 0.003 0.000 0.194 131 K C 0.190 176.766 176.600 -0.040 0.000 1.023 131 K CA -0.019 56.242 56.287 -0.043 0.000 1.094 131 K CB 0.157 32.632 32.500 -0.042 0.000 0.841 131 K HN 0.434 nan 8.250 nan 0.000 0.523 132 Q N 1.015 120.786 119.800 -0.049 0.000 2.394 132 Q HA 0.046 4.388 4.340 0.003 0.000 0.248 132 Q C 0.146 176.088 176.000 -0.096 0.000 0.992 132 Q CA 0.375 56.147 55.803 -0.051 0.000 0.888 132 Q CB 0.734 29.440 28.738 -0.054 0.000 1.257 132 Q HN 0.096 nan 8.270 nan 0.000 0.462 133 K N -1.426 118.909 120.400 -0.108 0.000 3.069 133 K HA -0.202 4.120 4.320 0.003 0.000 0.267 133 K C -0.386 176.141 176.600 -0.122 0.000 1.082 133 K CA 0.707 56.815 56.287 -0.299 0.000 0.782 133 K CB -2.137 29.965 32.500 -0.663 0.000 1.230 133 K HN 0.727 nan 8.250 nan 0.000 0.488 134 A N 2.092 124.908 122.820 -0.006 0.000 2.522 134 A HA 0.253 4.575 4.320 0.003 0.000 0.256 134 A C -1.491 176.139 177.584 0.076 0.000 1.086 134 A CA -0.760 51.286 52.037 0.015 0.000 0.763 134 A CB -0.077 18.929 19.000 0.009 0.000 1.024 134 A HN 0.077 nan 8.150 nan 0.000 0.502 135 P HA 0.233 nan 4.420 nan 0.000 0.271 135 P C -0.702 176.641 177.300 0.072 0.000 1.218 135 P CA 0.031 63.188 63.100 0.095 0.000 0.780 135 P CB 0.798 32.533 31.700 0.058 0.000 0.901 136 I N 1.868 122.484 120.570 0.077 0.000 2.362 136 I HA 0.124 4.296 4.170 0.003 0.000 0.289 136 I C 0.917 177.059 176.117 0.042 0.000 0.994 136 I CA -0.607 60.719 61.300 0.044 0.000 1.158 136 I CB 1.296 39.312 38.000 0.027 0.000 1.315 136 I HN 0.364 nan 8.210 nan 0.000 0.451 137 S N 7.253 122.972 115.700 0.032 0.000 2.499 137 S HA 0.593 5.064 4.470 0.003 0.000 0.275 137 S C -0.523 174.095 174.600 0.029 0.000 1.257 137 S CA -0.582 57.638 58.200 0.033 0.000 1.050 137 S CB 0.986 64.201 63.200 0.026 0.000 0.937 137 S HN 0.341 nan 8.310 nan 0.000 0.490 138 L N 4.018 125.266 121.223 0.041 0.000 2.334 138 L HA 0.574 4.915 4.340 0.003 0.000 0.272 138 L C -1.320 175.578 176.870 0.046 0.000 1.020 138 L CA -1.930 52.934 54.840 0.041 0.000 0.812 138 L CB 0.850 42.948 42.059 0.066 0.000 1.264 138 L HN 0.568 nan 8.230 nan 0.000 0.439 139 P HA 0.160 nan 4.420 nan 0.000 0.255 139 P C -0.319 177.021 177.300 0.067 0.000 1.301 139 P CA 0.440 63.565 63.100 0.042 0.000 0.817 139 P CB 0.393 32.109 31.700 0.026 0.000 1.259 140 M N -0.115 119.546 119.600 0.102 0.000 2.326 140 M HA 0.166 4.648 4.480 0.003 0.000 0.306 140 M C 0.181 176.582 176.300 0.168 0.000 1.054 140 M CA -0.477 54.917 55.300 0.157 0.000 0.922 140 M CB 2.601 35.352 32.600 0.252 0.000 1.632 140 M HN -0.357 nan 8.290 nan 0.000 0.436 141 D N 0.390 120.863 120.400 0.122 0.000 2.355 141 D HA -0.047 4.595 4.640 0.003 0.000 0.218 141 D C 1.539 177.868 176.300 0.048 0.000 1.004 141 D CA 1.089 55.135 54.000 0.077 0.000 0.880 141 D CB 0.605 41.430 40.800 0.040 0.000 0.911 141 D HN 0.697 nan 8.370 nan 0.000 0.528 142 T N -2.644 111.955 114.554 0.076 0.000 3.113 142 T HA 0.118 4.470 4.350 0.003 0.000 0.256 142 T C 0.388 174.899 174.700 -0.314 0.000 1.131 142 T CA 0.075 62.102 62.100 -0.120 0.000 1.074 142 T CB -0.245 68.587 68.868 -0.060 0.000 0.944 142 T HN -0.082 nan 8.240 nan 0.000 0.516 143 F N 0.541 120.522 119.950 0.051 0.000 2.577 143 F HA 0.706 5.234 4.527 0.003 0.000 0.318 143 F C 0.044 175.860 175.800 0.025 0.000 1.065 143 F CA -1.350 56.684 58.000 0.056 0.000 0.929 143 F CB 1.883 40.932 39.000 0.082 0.000 1.237 143 F HN -0.357 nan 8.300 nan 0.000 0.468 144 K N 1.077 121.599 120.400 0.204 0.000 2.375 144 K HA 0.690 5.011 4.320 0.003 0.000 0.249 144 K C -1.196 175.460 176.600 0.093 0.000 0.942 144 K CA -0.753 55.614 56.287 0.133 0.000 0.806 144 K CB 2.189 34.752 32.500 0.104 0.000 1.227 144 K HN 0.580 nan 8.250 nan 0.000 0.430 145 S N 1.597 117.339 115.700 0.070 0.000 2.540 145 S HA 0.758 5.229 4.470 0.003 0.000 0.275 145 S C -1.771 172.866 174.600 0.061 0.000 1.123 145 S CA -0.667 57.522 58.200 -0.019 0.000 0.907 145 S CB 0.552 63.739 63.200 -0.021 0.000 1.081 145 S HN 0.489 nan 8.310 nan 0.000 0.476 146 Y N 2.762 123.070 120.300 0.015 0.000 2.655 146 Y HA 0.774 5.326 4.550 0.003 0.000 0.336 146 Y C -0.843 175.056 175.900 -0.001 0.000 1.154 146 Y CA -1.540 56.562 58.100 0.004 0.000 1.055 146 Y CB 0.791 39.253 38.460 0.003 0.000 1.295 146 Y HN 0.591 nan 8.280 nan 0.000 0.465 147 I N 1.491 122.215 120.570 0.258 0.000 2.562 147 I HA 0.681 4.852 4.170 0.003 0.000 0.301 147 I C -1.598 174.643 176.117 0.206 0.000 1.003 147 I CA -1.138 60.255 61.300 0.155 0.000 1.127 147 I CB 1.769 39.808 38.000 0.065 0.000 1.304 147 I HN 0.748 nan 8.210 nan 0.000 0.446 148 L N 4.535 125.844 121.223 0.142 0.000 2.334 148 L HA 0.512 4.854 4.340 0.003 0.000 0.276 148 L C -0.085 176.818 176.870 0.055 0.000 1.014 148 L CA -0.733 54.171 54.840 0.107 0.000 0.815 148 L CB 1.901 44.032 42.059 0.118 0.000 1.268 148 L HN 0.563 nan 8.230 nan 0.000 0.428 149 K N 3.128 123.549 120.400 0.036 0.000 2.347 149 K HA 0.387 4.708 4.320 0.003 0.000 0.262 149 K C -0.933 175.682 176.600 0.026 0.000 1.052 149 K CA -0.366 55.935 56.287 0.024 0.000 0.946 149 K CB 1.272 33.779 32.500 0.011 0.000 1.220 149 K HN 0.478 nan 8.250 nan 0.000 0.450 150 E N 3.461 123.681 120.200 0.033 0.000 2.221 150 E HA 0.304 4.655 4.350 0.003 0.000 0.268 150 E C -2.439 174.192 176.600 0.052 0.000 0.933 150 E CA -2.449 53.973 56.400 0.036 0.000 0.809 150 E CB 1.440 31.161 29.700 0.036 0.000 1.190 150 E HN 0.276 nan 8.360 nan 0.000 0.406 151 P HA -0.024 nan 4.420 nan 0.000 0.266 151 P C 0.511 177.867 177.300 0.093 0.000 1.195 151 P CA 0.106 63.260 63.100 0.089 0.000 0.768 151 P CB 0.757 32.513 31.700 0.093 0.000 0.838 152 I N 1.632 122.273 120.570 0.119 0.000 2.614 152 I HA -0.015 4.157 4.170 0.003 0.000 0.258 152 I C 1.239 177.415 176.117 0.099 0.000 1.189 152 I CA 2.238 63.601 61.300 0.106 0.000 1.462 152 I CB -0.663 37.411 38.000 0.123 0.000 1.092 152 I HN 0.788 nan 8.210 nan 0.000 0.442 153 G N -0.923 107.943 108.800 0.109 0.000 2.254 153 G HA2 -0.110 3.851 3.960 0.003 0.000 0.193 153 G HA3 -0.110 3.851 3.960 0.003 0.000 0.193 153 G C -0.777 174.177 174.900 0.089 0.000 1.233 153 G CA -0.260 44.895 45.100 0.090 0.000 1.290 153 G HN 0.029 nan 8.290 nan 0.000 0.517 154 V N 1.812 121.765 119.914 0.066 0.000 2.461 154 V HA 0.550 4.672 4.120 0.003 0.000 0.275 154 V C 0.761 176.893 176.094 0.064 0.000 1.047 154 V CA 0.202 62.527 62.300 0.042 0.000 0.955 154 V CB 0.818 32.646 31.823 0.008 0.000 0.988 154 V HN 1.509 nan 8.190 nan 0.000 0.471 155 V N 2.728 122.679 119.914 0.062 0.000 2.604 155 V HA 0.973 5.094 4.120 0.003 0.000 0.305 155 V C 0.006 176.146 176.094 0.077 0.000 1.043 155 V CA -0.923 61.440 62.300 0.104 0.000 0.888 155 V CB 1.653 33.580 31.823 0.174 0.000 0.995 155 V HN 0.954 nan 8.190 nan 0.000 0.429 156 A N 5.299 128.181 122.820 0.103 0.000 2.260 156 A HA 0.829 5.151 4.320 0.003 0.000 0.308 156 A C -0.858 176.808 177.584 0.136 0.000 1.254 156 A CA -0.457 51.637 52.037 0.095 0.000 0.874 156 A CB 0.578 19.632 19.000 0.090 0.000 1.153 156 A HN 0.858 nan 8.150 nan 0.000 0.527 157 L N 3.875 125.168 121.223 0.117 0.000 2.316 157 L HA 0.512 4.853 4.340 0.003 0.000 0.280 157 L C -0.477 176.474 176.870 0.136 0.000 1.006 157 L CA -0.026 54.894 54.840 0.134 0.000 0.836 157 L CB 0.923 43.036 42.059 0.090 0.000 1.221 157 L HN 0.602 nan 8.230 nan 0.000 0.418 158 I N 3.051 123.729 120.570 0.180 0.000 2.410 158 I HA 0.494 4.665 4.170 0.003 0.000 0.286 158 I C -0.023 176.151 176.117 0.094 0.000 1.009 158 I CA -0.365 61.059 61.300 0.207 0.000 1.111 158 I CB 1.911 40.143 38.000 0.386 0.000 1.262 158 I HN 0.590 nan 8.210 nan 0.000 0.443 159 T N 3.741 118.322 114.554 0.045 0.000 2.907 159 T HA 0.678 5.030 4.350 0.003 0.000 0.292 159 T C -2.785 171.878 174.700 -0.061 0.000 1.043 159 T CA -2.091 59.985 62.100 -0.040 0.000 1.003 159 T CB 2.370 71.241 68.868 0.005 0.000 1.084 159 T HN 0.220 nan 8.240 nan 0.000 0.483 160 P HA 0.273 nan 4.420 nan 0.000 0.281 160 P C 0.699 177.922 177.300 -0.128 0.000 1.281 160 P CA -0.875 62.082 63.100 -0.237 0.000 0.811 160 P CB 0.976 32.438 31.700 -0.396 0.000 1.154 161 W N 1.187 122.498 121.300 0.019 0.000 3.139 161 W HA 0.021 4.682 4.660 0.002 0.000 0.260 161 W C 0.829 177.334 176.519 -0.024 0.000 1.312 161 W CA 0.237 57.584 57.345 0.003 0.000 1.606 161 W CB -1.477 27.986 29.460 0.005 0.000 1.118 161 W HN 0.254 nan 8.180 nan 0.000 0.675 162 N N 1.475 120.046 118.700 -0.215 0.000 2.300 162 N HA -0.183 4.558 4.740 0.003 0.000 0.179 162 N C -0.305 174.966 175.510 -0.398 0.000 1.016 162 N CA 0.815 53.730 53.050 -0.224 0.000 0.876 162 N CB -1.125 37.124 38.487 -0.396 0.000 0.979 162 N HN 0.195 nan 8.380 nan 0.000 0.432 163 Y N -0.041 120.157 120.300 -0.169 0.000 2.584 163 Y HA 0.423 4.975 4.550 0.002 0.000 0.358 163 Y C -1.796 174.034 175.900 -0.117 0.000 1.028 163 Y CA -2.047 55.949 58.100 -0.173 0.000 1.148 163 Y CB 1.989 40.250 38.460 -0.332 0.000 1.126 163 Y HN -0.032 nan 8.280 nan 0.000 0.658 164 P HA -0.238 nan 4.420 nan 0.000 0.213 164 P C 1.717 179.110 177.300 0.156 0.000 1.170 164 P CA 1.490 64.644 63.100 0.090 0.000 0.902 164 P CB 0.217 31.964 31.700 0.078 0.000 0.789 165 F N -0.422 119.534 119.950 0.010 0.000 2.163 165 F HA -0.053 4.476 4.527 0.002 0.000 0.297 165 F C 2.105 177.899 175.800 -0.009 0.000 1.094 165 F CA 0.686 58.703 58.000 0.028 0.000 1.290 165 F CB -1.359 37.673 39.000 0.055 0.000 1.017 165 F HN -0.235 nan 8.300 nan 0.000 0.483 166 L N -0.187 121.085 121.223 0.082 0.000 2.056 166 L HA -0.187 4.155 4.340 0.003 0.000 0.207 166 L C 2.151 178.755 176.870 -0.444 0.000 1.078 166 L CA 1.663 56.382 54.840 -0.202 0.000 0.749 166 L CB -0.777 41.119 42.059 -0.272 0.000 0.901 166 L HN -0.018 nan 8.230 nan 0.000 0.433 167 M N -0.783 118.577 119.600 -0.401 0.000 2.175 167 M HA -0.069 4.413 4.480 0.003 0.000 0.264 167 M C 2.382 178.634 176.300 -0.081 0.000 1.063 167 M CA 1.562 56.624 55.300 -0.395 0.000 1.119 167 M CB -1.706 30.721 32.600 -0.288 0.000 1.377 167 M HN 0.404 nan 8.290 nan 0.000 0.415 168 A N -0.089 122.740 122.820 0.016 0.000 1.858 168 A HA -0.154 4.167 4.320 0.003 0.000 0.216 168 A C 2.329 179.968 177.584 0.092 0.000 1.190 168 A CA 2.409 54.506 52.037 0.100 0.000 0.617 168 A CB -1.225 17.891 19.000 0.192 0.000 0.827 168 A HN 0.459 nan 8.150 nan 0.000 0.443 169 T N -1.374 113.221 114.554 0.067 0.000 2.720 169 T HA -0.210 4.142 4.350 0.003 0.000 0.268 169 T C 1.490 176.182 174.700 -0.014 0.000 1.037 169 T CA 1.505 63.545 62.100 -0.099 0.000 1.144 169 T CB -0.398 68.346 68.868 -0.207 0.000 0.864 169 T HN 0.643 nan 8.240 nan 0.000 0.444 170 W N 2.125 123.343 121.300 -0.137 0.000 2.331 170 W HA -0.052 4.609 4.660 0.002 0.000 0.291 170 W C 2.211 178.687 176.519 -0.072 0.000 1.214 170 W CA 0.604 57.897 57.345 -0.086 0.000 1.228 170 W CB -0.385 29.023 29.460 -0.087 0.000 1.135 170 W HN 0.367 nan 8.180 nan 0.000 0.537 171 K N -1.212 119.280 120.400 0.155 0.000 2.190 171 K HA 0.077 4.399 4.320 0.003 0.000 0.202 171 K C 1.961 178.450 176.600 -0.186 0.000 1.045 171 K CA 0.731 57.063 56.287 0.075 0.000 0.976 171 K CB -0.495 32.096 32.500 0.150 0.000 0.849 171 K HN 0.020 nan 8.250 nan 0.000 0.468 172 I N 1.940 122.439 120.570 -0.118 0.000 2.127 172 I HA -0.305 3.866 4.170 0.003 0.000 0.241 172 I C 2.626 178.639 176.117 -0.173 0.000 1.075 172 I CA 1.396 62.626 61.300 -0.117 0.000 1.334 172 I CB -0.451 37.577 38.000 0.046 0.000 1.040 172 I HN 0.148 nan 8.210 nan 0.000 0.405 173 A N 1.458 124.104 122.820 -0.290 0.000 1.865 173 A HA -0.137 4.184 4.320 0.003 0.000 0.217 173 A C 0.078 177.478 177.584 -0.307 0.000 1.191 173 A CA 2.035 53.907 52.037 -0.275 0.000 0.623 173 A CB -2.041 16.696 19.000 -0.440 0.000 0.826 173 A HN 0.326 nan 8.150 nan 0.000 0.444 174 P HA -0.010 nan 4.420 nan 0.000 0.222 174 P C 1.493 178.591 177.300 -0.337 0.000 1.153 174 P CA 1.616 64.292 63.100 -0.706 0.000 0.798 174 P CB -0.064 31.138 31.700 -0.830 0.000 0.796 175 A N 0.645 123.116 122.820 -0.581 0.000 1.873 175 A HA -0.102 4.219 4.320 0.003 0.000 0.215 175 A C 2.407 179.928 177.584 -0.105 0.000 1.186 175 A CA 1.289 52.952 52.037 -0.623 0.000 0.616 175 A CB -1.519 16.967 19.000 -0.856 0.000 0.823 175 A HN 0.104 nan 8.150 nan 0.000 0.442 176 L N -0.876 120.362 121.223 0.025 0.000 2.056 176 L HA -0.133 4.209 4.340 0.003 0.000 0.207 176 L C 3.041 180.135 176.870 0.372 0.000 1.078 176 L CA 1.003 56.058 54.840 0.359 0.000 0.749 176 L CB -0.721 41.563 42.059 0.374 0.000 0.901 176 L HN 0.431 nan 8.230 nan 0.000 0.433 177 A N 0.318 123.251 122.820 0.189 0.000 2.024 177 A HA -0.131 4.191 4.320 0.003 0.000 0.220 177 A C 2.454 180.072 177.584 0.057 0.000 1.164 177 A CA 1.675 53.787 52.037 0.124 0.000 0.643 177 A CB -0.477 18.611 19.000 0.147 0.000 0.806 177 A HN 0.415 nan 8.150 nan 0.000 0.451 178 A N -2.002 120.861 122.820 0.073 0.000 2.067 178 A HA 0.389 4.710 4.320 0.003 0.000 0.217 178 A C 1.834 179.443 177.584 0.041 0.000 1.156 178 A CA 1.407 53.486 52.037 0.071 0.000 0.683 178 A CB -0.654 18.424 19.000 0.130 0.000 0.808 178 A HN 1.884 nan 8.150 nan 0.000 0.455 179 G N -2.317 106.520 108.800 0.061 0.000 2.135 179 G HA2 -0.188 3.774 3.960 0.003 0.000 0.183 179 G HA3 -0.188 3.774 3.960 0.003 0.000 0.183 179 G C 0.060 175.131 174.900 0.285 0.000 1.004 179 G CA -0.153 44.946 45.100 -0.001 0.000 0.677 179 G HN 0.569 nan 8.290 nan 0.000 0.512 180 C N 0.808 120.299 119.300 0.318 0.000 2.459 180 C HA 0.852 5.314 4.460 0.003 0.000 0.374 180 C C 1.139 176.244 174.990 0.193 0.000 1.241 180 C CA 0.321 59.475 59.018 0.228 0.000 2.352 180 C CB 0.960 28.768 27.740 0.113 0.000 2.490 180 C HN 1.142 nan 8.230 nan 0.000 0.583 181 A N 1.513 124.372 122.820 0.065 0.000 2.312 181 A HA 0.826 5.148 4.320 0.003 0.000 0.326 181 A C -0.309 177.236 177.584 -0.065 0.000 1.172 181 A CA -0.260 51.727 52.037 -0.083 0.000 0.821 181 A CB 0.659 19.605 19.000 -0.090 0.000 1.166 181 A HN 1.304 nan 8.150 nan 0.000 0.493 182 A N 1.699 124.458 122.820 -0.102 0.000 2.386 182 A HA 0.749 5.071 4.320 0.003 0.000 0.311 182 A C -0.964 176.589 177.584 -0.052 0.000 1.068 182 A CA -0.428 51.572 52.037 -0.062 0.000 0.743 182 A CB 0.718 19.676 19.000 -0.069 0.000 1.258 182 A HN 0.707 nan 8.150 nan 0.000 0.429 183 I N 2.167 122.723 120.570 -0.023 0.000 2.382 183 I HA 0.327 4.498 4.170 0.003 0.000 0.286 183 I C -0.506 175.626 176.117 0.025 0.000 1.002 183 I CA -0.353 60.940 61.300 -0.012 0.000 1.135 183 I CB 1.589 39.571 38.000 -0.030 0.000 1.288 183 I HN 0.574 nan 8.210 nan 0.000 0.448 184 L N 7.423 128.670 121.223 0.040 0.000 2.305 184 L HA 0.503 4.845 4.340 0.003 0.000 0.281 184 L C -0.303 176.607 176.870 0.068 0.000 1.085 184 L CA 0.096 54.974 54.840 0.062 0.000 0.813 184 L CB 0.456 42.558 42.059 0.071 0.000 1.157 184 L HN 0.379 nan 8.230 nan 0.000 0.436 185 K N 6.666 127.115 120.400 0.081 0.000 2.527 185 K HA 0.512 4.834 4.320 0.003 0.000 0.240 185 K C -2.752 173.905 176.600 0.094 0.000 0.989 185 K CA -2.215 54.123 56.287 0.085 0.000 0.985 185 K CB 1.200 33.755 32.500 0.091 0.000 1.221 185 K HN 0.326 nan 8.250 nan 0.000 0.458 186 P HA 0.087 nan 4.420 nan 0.000 0.274 186 P C -0.350 177.012 177.300 0.103 0.000 1.237 186 P CA -0.361 62.789 63.100 0.085 0.000 0.793 186 P CB 0.716 32.457 31.700 0.067 0.000 0.977 187 S N 1.058 116.837 115.700 0.132 0.000 2.562 187 S HA -0.012 4.459 4.470 0.003 0.000 0.281 187 S C 1.493 176.173 174.600 0.133 0.000 1.333 187 S CA -0.368 57.942 58.200 0.184 0.000 1.052 187 S CB -0.018 63.385 63.200 0.337 0.000 0.884 187 S HN 0.467 nan 8.310 nan 0.000 0.506 188 E N 4.857 125.120 120.200 0.104 0.000 2.265 188 E HA -0.164 4.188 4.350 0.003 0.000 0.196 188 E C 1.646 178.258 176.600 0.020 0.000 0.996 188 E CA 1.045 57.475 56.400 0.051 0.000 0.832 188 E CB -0.396 29.325 29.700 0.036 0.000 0.756 188 E HN 0.767 nan 8.360 nan 0.000 0.491 189 L N 0.200 121.432 121.223 0.015 0.000 2.240 189 L HA 0.119 4.460 4.340 0.003 0.000 0.211 189 L C 1.159 178.015 176.870 -0.025 0.000 1.106 189 L CA 0.828 55.619 54.840 -0.081 0.000 0.793 189 L CB 0.008 41.879 42.059 -0.314 0.000 0.927 189 L HN 0.072 nan 8.230 nan 0.000 0.446 190 A N -1.367 121.491 122.820 0.065 0.000 2.768 190 A HA 0.516 4.838 4.320 0.003 0.000 0.299 190 A C 0.209 177.822 177.584 0.049 0.000 1.171 190 A CA -0.329 51.743 52.037 0.058 0.000 0.759 190 A CB 0.947 20.012 19.000 0.109 0.000 1.267 190 A HN -0.013 nan 8.150 nan 0.000 0.421 191 S N 0.274 115.982 115.700 0.013 0.000 2.578 191 S HA 0.028 4.499 4.470 0.003 0.000 0.228 191 S C 1.851 176.430 174.600 -0.036 0.000 1.022 191 S CA 0.789 58.991 58.200 0.004 0.000 0.967 191 S CB 0.523 63.735 63.200 0.020 0.000 0.914 191 S HN 1.369 nan 8.310 nan 0.000 0.515 192 V N 2.037 121.918 119.914 -0.055 0.000 2.427 192 V HA -0.112 4.009 4.120 0.003 0.000 0.248 192 V C 2.289 178.297 176.094 -0.143 0.000 1.051 192 V CA 2.309 64.561 62.300 -0.081 0.000 1.048 192 V CB -1.682 30.098 31.823 -0.072 0.000 0.666 192 V HN 0.594 nan 8.190 nan 0.000 0.456 193 T N -2.850 111.579 114.554 -0.210 0.000 2.904 193 T HA -0.167 4.185 4.350 0.003 0.000 0.267 193 T C 1.956 176.284 174.700 -0.619 0.000 1.059 193 T CA 1.613 63.451 62.100 -0.437 0.000 1.137 193 T CB -1.307 67.238 68.868 -0.539 0.000 0.879 193 T HN 0.560 nan 8.240 nan 0.000 0.467 194 C N 0.937 120.009 119.300 -0.379 0.000 2.422 194 C HA 0.212 4.674 4.460 0.003 0.000 0.279 194 C C 2.754 177.671 174.990 -0.122 0.000 1.305 194 C CA 0.169 59.048 59.018 -0.232 0.000 1.757 194 C CB -1.501 26.200 27.740 -0.064 0.000 1.962 194 C HN 0.546 nan 8.230 nan 0.000 0.499 195 L N 0.446 121.628 121.223 -0.069 0.000 2.156 195 L HA -0.087 4.255 4.340 0.003 0.000 0.208 195 L C 2.656 179.563 176.870 0.062 0.000 1.095 195 L CA 1.122 55.998 54.840 0.061 0.000 0.770 195 L CB -0.610 41.488 42.059 0.065 0.000 0.914 195 L HN 0.289 nan 8.230 nan 0.000 0.439 196 E N 0.039 120.190 120.200 -0.081 0.000 2.204 196 E HA -0.206 4.146 4.350 0.003 0.000 0.194 196 E C 2.092 178.644 176.600 -0.079 0.000 0.989 196 E CA 0.879 57.233 56.400 -0.077 0.000 0.824 196 E CB -0.197 29.422 29.700 -0.134 0.000 0.756 196 E HN 0.283 nan 8.360 nan 0.000 0.477 197 L N 0.644 121.782 121.223 -0.142 0.000 2.141 197 L HA -0.010 4.331 4.340 0.003 0.000 0.209 197 L C 2.090 178.824 176.870 -0.227 0.000 1.094 197 L CA 1.915 56.714 54.840 -0.068 0.000 0.763 197 L CB -0.827 41.261 42.059 0.050 0.000 0.908 197 L HN 0.108 nan 8.230 nan 0.000 0.437 198 G N -1.025 107.550 108.800 -0.375 0.000 2.446 198 G HA2 -0.362 3.599 3.960 0.003 0.000 0.217 198 G HA3 -0.362 3.599 3.960 0.003 0.000 0.217 198 G C 1.487 175.785 174.900 -1.004 0.000 1.168 198 G CA 0.924 45.333 45.100 -1.152 0.000 0.771 198 G HN 0.455 nan 8.290 nan 0.000 0.551 199 E N 0.586 120.688 120.200 -0.164 0.000 2.110 199 E HA -0.054 4.297 4.350 0.003 0.000 0.193 199 E C 2.420 178.991 176.600 -0.048 0.000 0.988 199 E CA 0.737 57.185 56.400 0.081 0.000 0.804 199 E CB -0.377 29.457 29.700 0.223 0.000 0.745 199 E HN 0.527 nan 8.360 nan 0.000 0.458 200 I N -0.217 120.304 120.570 -0.082 0.000 2.226 200 I HA -0.351 3.820 4.170 0.003 0.000 0.245 200 I C 2.244 178.316 176.117 -0.075 0.000 1.100 200 I CA 0.886 62.155 61.300 -0.053 0.000 1.374 200 I CB -0.257 37.726 38.000 -0.028 0.000 1.057 200 I HN 0.276 nan 8.210 nan 0.000 0.413 201 C N 0.406 119.611 119.300 -0.159 0.000 2.429 201 C HA -0.174 4.288 4.460 0.003 0.000 0.277 201 C C 2.811 177.793 174.990 -0.014 0.000 1.262 201 C CA 0.813 59.772 59.018 -0.100 0.000 1.733 201 C CB -0.923 26.734 27.740 -0.138 0.000 2.010 201 C HN 0.438 nan 8.230 nan 0.000 0.483 202 K N 0.945 121.324 120.400 -0.035 0.000 2.032 202 K HA -0.189 4.133 4.320 0.003 0.000 0.209 202 K C 1.906 178.543 176.600 0.062 0.000 1.048 202 K CA 1.627 57.952 56.287 0.063 0.000 0.927 202 K CB -0.171 32.379 32.500 0.083 0.000 0.712 202 K HN 0.534 nan 8.250 nan 0.000 0.441 203 E N -0.420 119.807 120.200 0.045 0.000 2.268 203 E HA -0.127 4.225 4.350 0.003 0.000 0.195 203 E C 1.511 178.144 176.600 0.055 0.000 0.995 203 E CA 0.857 57.288 56.400 0.051 0.000 0.836 203 E CB 0.312 30.036 29.700 0.041 0.000 0.763 203 E HN 0.097 nan 8.360 nan 0.000 0.491 204 V N -0.455 119.497 119.914 0.063 0.000 3.590 204 V HA 0.121 4.243 4.120 0.003 0.000 0.265 204 V C 1.115 177.316 176.094 0.178 0.000 1.239 204 V CA 0.738 63.096 62.300 0.097 0.000 1.117 204 V CB 0.481 32.358 31.823 0.090 0.000 0.818 204 V HN 0.432 nan 8.190 nan 0.000 0.451 205 G N 1.315 110.203 108.800 0.146 0.000 2.225 205 G HA2 -0.245 3.717 3.960 0.003 0.000 0.264 205 G HA3 -0.245 3.717 3.960 0.003 0.000 0.264 205 G C -0.087 174.917 174.900 0.174 0.000 1.060 205 G CA 0.361 45.560 45.100 0.166 0.000 0.833 205 G HN 0.415 nan 8.290 nan 0.000 0.498 206 L N 1.026 122.272 121.223 0.037 0.000 2.540 206 L HA 0.423 4.765 4.340 0.003 0.000 0.276 206 L C -1.288 175.398 176.870 -0.307 0.000 1.212 206 L CA -1.012 53.653 54.840 -0.291 0.000 0.893 206 L CB 0.060 41.978 42.059 -0.234 0.000 1.138 206 L HN 0.064 nan 8.230 nan 0.000 0.491 207 P HA 0.018 nan 4.420 nan 0.000 0.264 207 P C -1.196 175.949 177.300 -0.258 0.000 1.183 207 P CA -0.015 62.931 63.100 -0.258 0.000 0.763 207 P CB 0.172 31.753 31.700 -0.197 0.000 0.807 208 R N 2.443 122.834 120.500 -0.182 0.000 2.585 208 R HA 0.318 4.660 4.340 0.003 0.000 0.275 208 R C 1.085 177.242 176.300 -0.237 0.000 1.018 208 R CA 0.217 56.187 56.100 -0.216 0.000 1.072 208 R CB -0.862 29.332 30.300 -0.177 0.000 0.953 208 R HN 0.739 nan 8.270 nan 0.000 0.419 209 G N 1.129 109.755 108.800 -0.290 0.000 2.225 209 G HA2 -0.327 3.635 3.960 0.003 0.000 0.254 209 G HA3 -0.327 3.635 3.960 0.003 0.000 0.254 209 G C 0.689 175.427 174.900 -0.270 0.000 0.988 209 G CA 0.180 45.126 45.100 -0.257 0.000 0.625 209 G HN 0.445 nan 8.290 nan 0.000 0.527 210 V N -0.148 119.548 119.914 -0.364 0.000 2.358 210 V HA 0.218 4.339 4.120 0.003 0.000 0.246 210 V C 1.192 177.058 176.094 -0.381 0.000 1.047 210 V CA 2.030 64.009 62.300 -0.536 0.000 1.035 210 V CB -0.078 31.128 31.823 -1.029 0.000 0.658 210 V HN 0.500 nan 8.190 nan 0.000 0.452 211 L N 0.930 122.004 121.223 -0.247 0.000 2.381 211 L HA 0.557 4.898 4.340 0.003 0.000 0.274 211 L C -0.980 175.888 176.870 -0.004 0.000 0.988 211 L CA -0.273 54.515 54.840 -0.087 0.000 0.824 211 L CB 1.513 43.564 42.059 -0.013 0.000 1.263 211 L HN 0.169 nan 8.230 nan 0.000 0.410 212 N N 5.161 123.850 118.700 -0.017 0.000 2.284 212 N HA 0.689 5.430 4.740 0.003 0.000 0.300 212 N C -1.316 174.237 175.510 0.071 0.000 1.047 212 N CA -0.340 52.702 53.050 -0.014 0.000 0.821 212 N CB 2.200 40.618 38.487 -0.115 0.000 1.337 212 N HN 0.463 nan 8.380 nan 0.000 0.482 213 I N 1.530 122.182 120.570 0.137 0.000 2.382 213 I HA 0.345 4.517 4.170 0.003 0.000 0.285 213 I C -0.895 175.286 176.117 0.106 0.000 1.007 213 I CA -0.830 60.546 61.300 0.126 0.000 1.142 213 I CB 1.469 39.557 38.000 0.147 0.000 1.289 213 I HN 0.131 nan 8.210 nan 0.000 0.453 214 V N 5.661 125.618 119.914 0.073 0.000 2.326 214 V HA 0.341 4.463 4.120 0.003 0.000 0.281 214 V C 0.336 176.468 176.094 0.063 0.000 1.015 214 V CA -0.400 61.937 62.300 0.061 0.000 0.823 214 V CB 1.848 33.691 31.823 0.034 0.000 1.009 214 V HN 0.843 nan 8.190 nan 0.000 0.436 215 T N 1.932 116.527 114.554 0.068 0.000 2.927 215 T HA 0.941 5.293 4.350 0.003 0.000 0.281 215 T C 0.251 174.973 174.700 0.037 0.000 0.998 215 T CA 0.057 62.191 62.100 0.057 0.000 1.019 215 T CB 2.031 70.935 68.868 0.060 0.000 1.061 215 T HN 1.342 nan 8.240 nan 0.000 0.518 216 G N 0.380 109.196 108.800 0.028 0.000 2.356 216 G HA2 0.361 4.323 3.960 0.003 0.000 0.288 216 G HA3 0.361 4.323 3.960 0.003 0.000 0.288 216 G C -1.807 173.089 174.900 -0.007 0.000 1.302 216 G CA -1.175 43.926 45.100 0.003 0.000 0.887 216 G HN 0.784 nan 8.290 nan 0.000 0.521 217 L N 1.831 123.020 121.223 -0.056 0.000 2.456 217 L HA 0.461 4.802 4.340 0.003 0.000 0.272 217 L C 2.186 179.009 176.870 -0.079 0.000 1.189 217 L CA 1.193 55.982 54.840 -0.085 0.000 0.846 217 L CB 0.683 42.603 42.059 -0.231 0.000 1.111 217 L HN 1.071 nan 8.230 nan 0.000 0.475 218 G N 2.349 111.160 108.800 0.018 0.000 2.491 218 G HA2 -0.283 3.678 3.960 0.003 0.000 0.218 218 G HA3 -0.283 3.678 3.960 0.003 0.000 0.218 218 G C 1.252 176.177 174.900 0.042 0.000 1.180 218 G CA 1.147 46.288 45.100 0.068 0.000 0.774 218 G HN 0.912 nan 8.290 nan 0.000 0.562 219 H N -0.153 118.936 119.070 0.033 0.000 2.555 219 H HA 0.273 4.830 4.556 0.003 0.000 0.269 219 H C 1.618 176.958 175.328 0.021 0.000 0.988 219 H CA 1.078 57.138 56.048 0.020 0.000 1.178 219 H CB 0.148 29.919 29.762 0.015 0.000 1.373 219 H HN 0.473 nan 8.280 nan 0.000 0.588 220 E N 0.827 120.806 120.200 -0.367 0.000 2.098 220 E HA 0.208 4.559 4.350 0.003 0.000 0.196 220 E C 2.419 178.971 176.600 -0.079 0.000 0.955 220 E CA 0.442 56.714 56.400 -0.214 0.000 0.936 220 E CB 0.102 29.640 29.700 -0.270 0.000 1.054 220 E HN 0.327 nan 8.360 nan 0.000 0.482 221 A N 1.286 124.066 122.820 -0.068 0.000 1.858 221 A HA -0.118 4.204 4.320 0.003 0.000 0.216 221 A C 2.334 179.927 177.584 0.015 0.000 1.190 221 A CA 2.102 54.132 52.037 -0.012 0.000 0.617 221 A CB -1.412 17.588 19.000 -0.000 0.000 0.827 221 A HN 0.388 nan 8.150 nan 0.000 0.443 222 G N -0.628 108.185 108.800 0.022 0.000 2.446 222 G HA2 -0.016 3.946 3.960 0.003 0.000 0.217 222 G HA3 -0.016 3.946 3.960 0.003 0.000 0.217 222 G C 1.777 176.697 174.900 0.035 0.000 1.168 222 G CA 1.669 46.797 45.100 0.047 0.000 0.771 222 G HN 0.853 nan 8.290 nan 0.000 0.551 223 A N 0.716 123.552 122.820 0.027 0.000 1.902 223 A HA 0.005 4.327 4.320 0.003 0.000 0.217 223 A C 2.716 180.321 177.584 0.034 0.000 1.181 223 A CA 2.310 54.363 52.037 0.027 0.000 0.623 223 A CB -0.614 18.411 19.000 0.043 0.000 0.818 223 A HN 0.325 nan 8.150 nan 0.000 0.443 224 S N -0.493 115.229 115.700 0.037 0.000 2.368 224 S HA -0.133 4.339 4.470 0.003 0.000 0.225 224 S C 1.857 176.512 174.600 0.092 0.000 1.030 224 S CA 1.398 59.632 58.200 0.056 0.000 0.999 224 S CB -0.437 62.794 63.200 0.051 0.000 0.844 224 S HN 0.475 nan 8.310 nan 0.000 0.459 225 L N 2.115 123.382 121.223 0.074 0.000 2.017 225 L HA 0.009 4.351 4.340 0.003 0.000 0.208 225 L C 2.396 179.319 176.870 0.089 0.000 1.073 225 L CA 1.984 56.870 54.840 0.078 0.000 0.745 225 L CB -1.203 40.889 42.059 0.054 0.000 0.894 225 L HN 0.249 nan 8.230 nan 0.000 0.432 226 A N -1.072 121.785 122.820 0.062 0.000 1.933 226 A HA -0.197 4.125 4.320 0.003 0.000 0.218 226 A C 2.368 179.986 177.584 0.055 0.000 1.175 226 A CA 1.998 54.063 52.037 0.046 0.000 0.628 226 A CB -0.991 18.010 19.000 0.002 0.000 0.814 226 A HN 0.661 nan 8.150 nan 0.000 0.444 227 S N -1.523 114.211 115.700 0.056 0.000 2.558 227 S HA 0.007 4.479 4.470 0.003 0.000 0.217 227 S C 0.791 175.421 174.600 0.052 0.000 0.975 227 S CA -0.232 57.992 58.200 0.040 0.000 0.912 227 S CB -0.550 62.659 63.200 0.015 0.000 0.776 227 S HN 0.590 nan 8.310 nan 0.000 0.526 228 H N 3.649 122.727 119.070 0.013 0.000 3.046 228 H HA 0.155 4.713 4.556 0.003 0.000 0.303 228 H C -1.854 173.483 175.328 0.015 0.000 1.002 228 H CA -1.101 54.955 56.048 0.013 0.000 1.460 228 H CB 1.215 30.984 29.762 0.013 0.000 1.493 228 H HN 0.109 nan 8.280 nan 0.000 0.559 229 P HA -0.108 nan 4.420 nan 0.000 0.219 229 P C 0.454 177.844 177.300 0.150 0.000 1.146 229 P CA 1.142 64.264 63.100 0.037 0.000 0.808 229 P CB 0.421 32.087 31.700 -0.057 0.000 0.779 230 D N -1.680 118.934 120.400 0.358 0.000 2.349 230 D HA 0.056 4.698 4.640 0.003 0.000 0.214 230 D C 0.220 176.594 176.300 0.123 0.000 1.063 230 D CA 0.146 54.278 54.000 0.220 0.000 0.847 230 D CB 0.263 41.198 40.800 0.225 0.000 0.933 230 D HN 0.020 nan 8.370 nan 0.000 0.513 231 V N 2.072 122.068 119.914 0.137 0.000 2.555 231 V HA 0.006 4.127 4.120 0.003 0.000 0.286 231 V C 1.180 177.324 176.094 0.082 0.000 1.044 231 V CA 0.129 62.475 62.300 0.077 0.000 1.026 231 V CB 1.769 33.641 31.823 0.082 0.000 0.981 231 V HN -0.000 nan 8.190 nan 0.000 0.480 232 D N 3.155 123.601 120.400 0.076 0.000 2.277 232 D HA 0.086 4.727 4.640 0.003 0.000 0.209 232 D C 0.709 177.060 176.300 0.086 0.000 0.970 232 D CA 0.774 54.821 54.000 0.077 0.000 0.874 232 D CB 0.806 41.651 40.800 0.076 0.000 0.982 232 D HN 0.507 nan 8.370 nan 0.000 0.504 233 K N 0.308 120.770 120.400 0.103 0.000 2.527 233 K HA 0.466 4.788 4.320 0.003 0.000 0.260 233 K C -1.807 174.871 176.600 0.131 0.000 0.937 233 K CA -0.533 55.822 56.287 0.114 0.000 0.826 233 K CB 2.064 34.638 32.500 0.122 0.000 1.359 233 K HN -0.229 nan 8.250 nan 0.000 0.434 234 I N 2.051 122.695 120.570 0.124 0.000 2.406 234 I HA 0.255 4.427 4.170 0.003 0.000 0.290 234 I C -0.551 175.663 176.117 0.162 0.000 0.999 234 I CA -0.721 60.662 61.300 0.138 0.000 1.124 234 I CB 2.034 40.097 38.000 0.105 0.000 1.289 234 I HN 0.445 nan 8.210 nan 0.000 0.441 235 S N 6.814 122.640 115.700 0.210 0.000 2.474 235 S HA 0.593 5.065 4.470 0.003 0.000 0.321 235 S C -1.101 173.653 174.600 0.257 0.000 1.080 235 S CA -0.400 57.930 58.200 0.217 0.000 1.106 235 S CB 0.427 63.804 63.200 0.296 0.000 0.984 235 S HN 0.390 nan 8.310 nan 0.000 0.464 236 F N 3.911 123.888 119.950 0.045 0.000 2.529 236 F HA 0.629 5.158 4.527 0.003 0.000 0.320 236 F C -0.531 175.282 175.800 0.022 0.000 1.118 236 F CA -0.217 57.801 58.000 0.029 0.000 0.915 236 F CB 2.070 41.073 39.000 0.006 0.000 1.161 236 F HN 0.412 nan 8.300 nan 0.000 0.445 237 T N 4.677 118.715 114.554 -0.860 0.000 2.840 237 T HA 0.797 5.149 4.350 0.003 0.000 0.287 237 T C -0.131 173.840 174.700 -1.216 0.000 0.991 237 T CA -0.252 61.379 62.100 -0.781 0.000 0.964 237 T CB 1.193 69.878 68.868 -0.306 0.000 0.954 237 T HN 1.098 nan 8.240 nan 0.000 0.438 238 G N 1.923 110.138 108.800 -0.975 0.000 2.452 238 G HA2 0.455 4.417 3.960 0.003 0.000 0.224 238 G HA3 0.455 4.417 3.960 0.003 0.000 0.224 238 G C -0.589 174.240 174.900 -0.117 0.000 1.208 238 G CA -0.227 44.553 45.100 -0.533 0.000 0.946 238 G HN 0.923 nan 8.290 nan 0.000 0.481 239 S N -0.088 115.674 115.700 0.102 0.000 2.603 239 S HA 0.523 4.995 4.470 0.003 0.000 0.268 239 S C 1.371 176.090 174.600 0.198 0.000 1.317 239 S CA 0.849 59.104 58.200 0.091 0.000 1.012 239 S CB 1.590 64.829 63.200 0.064 0.000 0.926 239 S HN 0.891 nan 8.310 nan 0.000 0.539 240 S N 1.486 117.272 115.700 0.143 0.000 2.368 240 S HA -0.073 4.399 4.470 0.003 0.000 0.225 240 S C 2.252 176.904 174.600 0.086 0.000 1.030 240 S CA 1.220 59.501 58.200 0.136 0.000 0.999 240 S CB -1.030 62.252 63.200 0.136 0.000 0.844 240 S HN 0.901 nan 8.310 nan 0.000 0.459 241 A N 1.120 123.981 122.820 0.068 0.000 1.877 241 A HA -0.119 4.203 4.320 0.003 0.000 0.216 241 A C 2.344 179.931 177.584 0.004 0.000 1.186 241 A CA 2.150 54.206 52.037 0.032 0.000 0.620 241 A CB -1.380 17.638 19.000 0.031 0.000 0.822 241 A HN 0.493 nan 8.150 nan 0.000 0.443 242 T N -0.228 114.335 114.554 0.016 0.000 2.777 242 T HA -0.012 4.340 4.350 0.003 0.000 0.266 242 T C 1.976 176.499 174.700 -0.295 0.000 1.040 242 T CA 1.319 63.365 62.100 -0.091 0.000 1.141 242 T CB -0.672 68.194 68.868 -0.003 0.000 0.868 242 T HN 0.589 nan 8.240 nan 0.000 0.444 243 G N 0.735 109.435 108.800 -0.166 0.000 2.440 243 G HA2 -0.243 3.719 3.960 0.003 0.000 0.218 243 G HA3 -0.243 3.719 3.960 0.003 0.000 0.218 243 G C 1.861 176.684 174.900 -0.128 0.000 1.154 243 G CA 1.270 46.259 45.100 -0.184 0.000 0.767 243 G HN 0.515 nan 8.290 nan 0.000 0.552 244 S N -0.037 115.633 115.700 -0.050 0.000 2.368 244 S HA -0.069 4.403 4.470 0.003 0.000 0.225 244 S C 2.349 176.920 174.600 -0.049 0.000 1.030 244 S CA 1.751 59.937 58.200 -0.023 0.000 0.999 244 S CB -0.236 62.962 63.200 -0.003 0.000 0.844 244 S HN 0.459 nan 8.310 nan 0.000 0.459 245 K N 0.600 120.950 120.400 -0.083 0.000 2.057 245 K HA 0.005 4.326 4.320 0.003 0.000 0.206 245 K C 2.031 178.569 176.600 -0.103 0.000 1.050 245 K CA 1.256 57.495 56.287 -0.079 0.000 0.935 245 K CB -0.264 32.189 32.500 -0.078 0.000 0.715 245 K HN 0.333 nan 8.250 nan 0.000 0.439 246 I N 1.422 121.875 120.570 -0.194 0.000 2.151 246 I HA -0.329 3.843 4.170 0.003 0.000 0.243 246 I C 2.455 178.521 176.117 -0.086 0.000 1.080 246 I CA 1.644 62.824 61.300 -0.200 0.000 1.339 246 I CB -0.701 37.055 38.000 -0.408 0.000 1.039 246 I HN 0.331 nan 8.210 nan 0.000 0.409 247 M N 0.031 119.597 119.600 -0.056 0.000 2.132 247 M HA -0.189 4.293 4.480 0.003 0.000 0.263 247 M C 2.251 178.563 176.300 0.020 0.000 1.065 247 M CA 1.743 57.056 55.300 0.021 0.000 1.122 247 M CB -0.175 32.471 32.600 0.076 0.000 1.365 247 M HN 0.198 nan 8.290 nan 0.000 0.411 248 T N 0.135 114.689 114.554 0.000 0.000 2.684 248 T HA -0.152 4.200 4.350 0.003 0.000 0.267 248 T C 1.599 176.298 174.700 -0.001 0.000 1.036 248 T CA 2.106 64.206 62.100 0.001 0.000 1.148 248 T CB -0.555 68.308 68.868 -0.008 0.000 0.863 248 T HN 0.457 nan 8.240 nan 0.000 0.436 249 T N 1.895 116.443 114.554 -0.010 0.000 2.746 249 T HA -0.018 4.334 4.350 0.003 0.000 0.267 249 T C 2.376 177.081 174.700 0.008 0.000 1.039 249 T CA 1.170 63.267 62.100 -0.005 0.000 1.142 249 T CB -0.524 68.336 68.868 -0.013 0.000 0.866 249 T HN 0.437 nan 8.240 nan 0.000 0.444 250 A N 1.266 124.094 122.820 0.014 0.000 1.969 250 A HA 0.222 4.544 4.320 0.003 0.000 0.218 250 A C 2.595 180.198 177.584 0.031 0.000 1.169 250 A CA 1.623 53.678 52.037 0.031 0.000 0.635 250 A CB -0.916 18.110 19.000 0.045 0.000 0.810 250 A HN 0.498 nan 8.150 nan 0.000 0.445 251 A N -0.995 121.841 122.820 0.026 0.000 2.019 251 A HA -0.170 4.152 4.320 0.003 0.000 0.219 251 A C 2.046 179.639 177.584 0.014 0.000 1.164 251 A CA 1.554 53.604 52.037 0.022 0.000 0.644 251 A CB -0.418 18.593 19.000 0.019 0.000 0.805 251 A HN 0.487 nan 8.150 nan 0.000 0.449 252 Q N -0.354 119.453 119.800 0.011 0.000 2.077 252 Q HA -0.129 4.213 4.340 0.003 0.000 0.206 252 Q C 1.333 177.338 176.000 0.008 0.000 0.989 252 Q CA 1.450 57.257 55.803 0.007 0.000 0.853 252 Q CB -0.349 28.391 28.738 0.003 0.000 0.907 252 Q HN 0.701 nan 8.270 nan 0.000 0.418 253 L N -0.269 120.962 121.223 0.014 0.000 3.066 253 L HA 0.197 4.539 4.340 0.003 0.000 0.265 253 L C 0.647 177.530 176.870 0.022 0.000 1.232 253 L CA -0.384 54.466 54.840 0.016 0.000 1.031 253 L CB 1.153 43.223 42.059 0.019 0.000 1.379 253 L HN -0.166 nan 8.230 nan 0.000 0.563 254 V N 1.130 121.057 119.914 0.021 0.000 5.325 254 V HA -0.269 3.853 4.120 0.003 0.000 0.291 254 V C 0.344 176.457 176.094 0.033 0.000 0.541 254 V CA 0.803 63.117 62.300 0.023 0.000 0.687 254 V CB -1.061 30.771 31.823 0.015 0.000 0.491 254 V HN 0.412 nan 8.190 nan 0.000 1.145 255 K N 2.922 123.347 120.400 0.042 0.000 2.270 255 K HA 0.449 4.771 4.320 0.003 0.000 0.276 255 K C -1.777 174.862 176.600 0.065 0.000 1.023 255 K CA -1.285 55.034 56.287 0.054 0.000 0.955 255 K CB 0.477 33.013 32.500 0.060 0.000 0.975 255 K HN 0.427 nan 8.250 nan 0.000 0.471 256 P HA 0.200 nan 4.420 nan 0.000 0.274 256 P C -0.539 176.828 177.300 0.111 0.000 1.237 256 P CA -0.436 62.715 63.100 0.086 0.000 0.793 256 P CB 0.888 32.629 31.700 0.069 0.000 0.977 257 V N 0.858 120.870 119.914 0.164 0.000 2.932 257 V HA 0.411 4.532 4.120 0.003 0.000 0.307 257 V C -0.492 175.720 176.094 0.198 0.000 1.147 257 V CA -0.408 61.996 62.300 0.173 0.000 0.951 257 V CB 2.428 34.359 31.823 0.181 0.000 1.031 257 V HN 0.860 nan 8.190 nan 0.000 0.426 258 S N 6.080 121.826 115.700 0.076 0.000 2.500 258 S HA 0.868 5.340 4.470 0.003 0.000 0.301 258 S C -1.265 173.270 174.600 -0.109 0.000 1.092 258 S CA -0.687 57.501 58.200 -0.021 0.000 1.030 258 S CB 1.546 64.749 63.200 0.005 0.000 1.031 258 S HN 0.568 nan 8.310 nan 0.000 0.483 259 L N 2.353 123.367 121.223 -0.348 0.000 2.406 259 L HA 0.558 4.899 4.340 0.003 0.000 0.272 259 L C -0.313 176.471 176.870 -0.142 0.000 0.980 259 L CA -0.346 54.357 54.840 -0.227 0.000 0.831 259 L CB 1.961 43.772 42.059 -0.413 0.000 1.253 259 L HN 0.813 nan 8.230 nan 0.000 0.406 260 E N 4.910 125.087 120.200 -0.038 0.000 2.101 260 E HA 0.525 4.877 4.350 0.003 0.000 0.260 260 E C -1.139 175.447 176.600 -0.023 0.000 0.897 260 E CA -0.396 56.009 56.400 0.009 0.000 0.744 260 E CB 1.017 30.778 29.700 0.102 0.000 1.140 260 E HN 0.526 nan 8.360 nan 0.000 0.419 261 L N 2.068 123.309 121.223 0.029 0.000 2.585 261 L HA 0.628 4.969 4.340 0.003 0.000 0.260 261 L C 1.282 178.177 176.870 0.041 0.000 1.085 261 L CA -1.024 53.849 54.840 0.056 0.000 0.913 261 L CB 0.307 42.447 42.059 0.135 0.000 1.638 261 L HN 0.517 nan 8.230 nan 0.000 0.531 262 G N -1.413 107.404 108.800 0.028 0.000 2.529 262 G HA2 0.492 4.453 3.960 0.003 0.000 0.277 262 G HA3 0.492 4.453 3.960 0.003 0.000 0.277 262 G C -0.410 174.314 174.900 -0.293 0.000 1.383 262 G CA 0.263 45.291 45.100 -0.119 0.000 1.050 262 G HN 0.832 nan 8.290 nan 0.000 0.526 263 G N -2.048 106.431 108.800 -0.535 0.000 2.660 263 G HA2 0.494 4.455 3.960 0.003 0.000 0.290 263 G HA3 0.494 4.455 3.960 0.003 0.000 0.290 263 G C -1.413 173.091 174.900 -0.661 0.000 1.432 263 G CA -0.638 44.071 45.100 -0.651 0.000 0.807 263 G HN 0.534 nan 8.290 nan 0.000 0.485 264 K N 0.735 120.885 120.400 -0.417 0.000 2.842 264 K HA 0.493 4.815 4.320 0.003 0.000 0.176 264 K C -0.078 176.438 176.600 -0.140 0.000 1.080 264 K CA -0.320 55.842 56.287 -0.207 0.000 0.954 264 K CB 0.292 32.729 32.500 -0.105 0.000 1.203 264 K HN 0.376 nan 8.250 nan 0.000 0.611 265 S N 3.756 119.400 115.700 -0.093 0.000 2.549 265 S HA 0.284 4.756 4.470 0.003 0.000 0.279 265 S C -2.357 172.211 174.600 -0.053 0.000 1.321 265 S CA -0.780 57.397 58.200 -0.037 0.000 1.054 265 S CB 0.578 63.809 63.200 0.052 0.000 0.899 265 S HN 0.431 nan 8.310 nan 0.000 0.497 266 P HA 0.471 nan 4.420 nan 0.000 0.290 266 P C -0.944 176.369 177.300 0.022 0.000 1.275 266 P CA -0.684 62.391 63.100 -0.043 0.000 0.841 266 P CB 0.961 32.628 31.700 -0.055 0.000 1.042 267 I N 2.298 122.889 120.570 0.034 0.000 2.410 267 I HA 0.293 4.465 4.170 0.003 0.000 0.286 267 I C -1.234 174.915 176.117 0.053 0.000 1.009 267 I CA -1.070 60.266 61.300 0.058 0.000 1.111 267 I CB 1.459 39.501 38.000 0.069 0.000 1.262 267 I HN -0.050 nan 8.210 nan 0.000 0.443 268 V N 7.938 127.869 119.914 0.029 0.000 2.383 268 V HA 0.341 4.463 4.120 0.003 0.000 0.275 268 V C -0.105 175.994 176.094 0.008 0.000 1.036 268 V CA -0.522 61.762 62.300 -0.028 0.000 0.889 268 V CB 1.331 33.077 31.823 -0.130 0.000 0.985 268 V HN 0.479 nan 8.190 nan 0.000 0.459 269 V N 6.318 126.227 119.914 -0.008 0.000 2.334 269 V HA 0.461 4.583 4.120 0.003 0.000 0.281 269 V C -0.214 175.843 176.094 -0.062 0.000 1.016 269 V CA -0.423 61.838 62.300 -0.065 0.000 0.832 269 V CB 1.051 32.691 31.823 -0.305 0.000 0.999 269 V HN 0.620 nan 8.190 nan 0.000 0.439 270 F N 2.977 122.966 119.950 0.066 0.000 2.368 270 F HA 0.306 4.834 4.527 0.003 0.000 0.315 270 F C 1.792 177.543 175.800 -0.081 0.000 1.145 270 F CA -0.274 57.768 58.000 0.069 0.000 1.095 270 F CB 0.835 39.867 39.000 0.053 0.000 1.286 270 F HN 0.623 nan 8.300 nan 0.000 0.530 271 E N 0.864 121.101 120.200 0.061 0.000 2.152 271 E HA -0.167 4.184 4.350 0.003 0.000 0.192 271 E C 0.049 176.647 176.600 -0.004 0.000 0.983 271 E CA 0.955 57.337 56.400 -0.030 0.000 0.818 271 E CB -0.884 28.746 29.700 -0.115 0.000 0.758 271 E HN 0.642 nan 8.360 nan 0.000 0.467 272 D N 1.651 122.060 120.400 0.015 0.000 2.619 272 D HA 0.258 4.900 4.640 0.003 0.000 0.224 272 D C -0.318 175.991 176.300 0.015 0.000 1.133 272 D CA -0.535 53.467 54.000 0.003 0.000 1.017 272 D CB 0.489 41.276 40.800 -0.022 0.000 1.077 272 D HN -0.046 nan 8.370 nan 0.000 0.503 273 V N 0.535 120.460 119.914 0.018 0.000 3.178 273 V HA 0.183 4.305 4.120 0.003 0.000 0.302 273 V C -1.249 174.873 176.094 0.046 0.000 1.262 273 V CA -1.018 61.298 62.300 0.026 0.000 1.030 273 V CB 2.656 34.480 31.823 0.002 0.000 1.074 273 V HN 0.359 nan 8.190 nan 0.000 0.438 274 D N 3.015 123.456 120.400 0.068 0.000 2.365 274 D HA 0.158 4.800 4.640 0.003 0.000 0.237 274 D C 0.770 177.151 176.300 0.134 0.000 1.190 274 D CA -0.261 53.796 54.000 0.095 0.000 0.867 274 D CB 1.644 42.502 40.800 0.096 0.000 1.050 274 D HN 0.311 nan 8.370 nan 0.000 0.491 275 L N 3.971 125.290 121.223 0.160 0.000 2.042 275 L HA -0.173 4.168 4.340 0.003 0.000 0.210 275 L C 1.936 178.976 176.870 0.284 0.000 1.076 275 L CA 1.495 56.494 54.840 0.266 0.000 0.749 275 L CB -0.436 41.788 42.059 0.274 0.000 0.893 275 L HN 0.455 nan 8.230 nan 0.000 0.432 276 D N -0.759 119.777 120.400 0.227 0.000 2.149 276 D HA -0.141 4.501 4.640 0.003 0.000 0.201 276 D C 2.171 178.533 176.300 0.103 0.000 0.972 276 D CA 0.936 55.092 54.000 0.260 0.000 0.835 276 D CB 0.094 41.078 40.800 0.306 0.000 0.966 276 D HN 0.327 nan 8.370 nan 0.000 0.476 277 K N 0.665 121.128 120.400 0.104 0.000 2.031 277 K HA -0.075 4.247 4.320 0.003 0.000 0.205 277 K C 2.330 178.976 176.600 0.077 0.000 1.049 277 K CA 0.894 57.211 56.287 0.049 0.000 0.939 277 K CB -0.039 32.536 32.500 0.124 0.000 0.717 277 K HN 0.078 nan 8.250 nan 0.000 0.438 278 V N -1.134 118.893 119.914 0.188 0.000 2.515 278 V HA -0.115 4.007 4.120 0.003 0.000 0.250 278 V C 2.214 178.445 176.094 0.229 0.000 1.058 278 V CA 1.614 64.080 62.300 0.277 0.000 1.064 278 V CB -0.968 30.985 31.823 0.216 0.000 0.675 278 V HN 0.204 nan 8.190 nan 0.000 0.461 279 A N 0.636 123.519 122.820 0.105 0.000 1.892 279 A HA -0.319 4.002 4.320 0.003 0.000 0.218 279 A C 2.327 179.517 177.584 -0.656 0.000 1.188 279 A CA 2.415 54.266 52.037 -0.310 0.000 0.631 279 A CB -0.835 17.878 19.000 -0.479 0.000 0.822 279 A HN 0.739 nan 8.150 nan 0.000 0.447 280 E N -1.412 118.178 120.200 -1.017 0.000 2.085 280 E HA -0.248 4.104 4.350 0.003 0.000 0.194 280 E C 1.844 178.160 176.600 -0.473 0.000 0.994 280 E CA 1.417 57.178 56.400 -1.065 0.000 0.801 280 E CB -0.265 28.735 29.700 -1.166 0.000 0.743 280 E HN 0.800 nan 8.360 nan 0.000 0.453 281 W N 0.357 121.486 121.300 -0.284 0.000 2.358 281 W HA -0.189 4.472 4.660 0.003 0.000 0.303 281 W C 2.871 179.344 176.519 -0.077 0.000 1.208 281 W CA 1.607 58.854 57.345 -0.163 0.000 1.274 281 W CB -0.554 28.826 29.460 -0.132 0.000 1.138 281 W HN 0.189 nan 8.180 nan 0.000 0.515 282 T N -0.524 114.118 114.554 0.146 0.000 2.857 282 T HA -0.176 4.176 4.350 0.003 0.000 0.266 282 T C 1.822 176.443 174.700 -0.133 0.000 1.048 282 T CA 2.019 64.151 62.100 0.054 0.000 1.139 282 T CB -0.681 68.279 68.868 0.153 0.000 0.874 282 T HN 0.018 nan 8.240 nan 0.000 0.455 283 V N -1.043 118.762 119.914 -0.182 0.000 2.427 283 V HA 0.083 4.205 4.120 0.003 0.000 0.248 283 V C 2.211 178.204 176.094 -0.169 0.000 1.051 283 V CA 1.677 63.795 62.300 -0.302 0.000 1.048 283 V CB -1.557 30.294 31.823 0.045 0.000 0.666 283 V HN 0.489 nan 8.190 nan 0.000 0.456 284 F N 3.110 122.974 119.950 -0.144 0.000 2.102 284 F HA 0.116 4.644 4.527 0.003 0.000 0.298 284 F C 2.342 178.104 175.800 -0.063 0.000 1.105 284 F CA 1.984 59.943 58.000 -0.067 0.000 1.239 284 F CB -0.786 38.111 39.000 -0.172 0.000 0.991 284 F HN 0.238 nan 8.300 nan 0.000 0.474 285 G N -1.489 107.337 108.800 0.043 0.000 2.535 285 G HA2 -0.279 3.682 3.960 0.003 0.000 0.218 285 G HA3 -0.279 3.682 3.960 0.003 0.000 0.218 285 G C 1.490 176.288 174.900 -0.170 0.000 1.122 285 G CA 1.008 46.055 45.100 -0.089 0.000 0.769 285 G HN 0.548 nan 8.290 nan 0.000 0.549 286 C N -1.754 117.384 119.300 -0.270 0.000 3.270 286 C HA 0.517 4.979 4.460 0.003 0.000 0.369 286 C C 1.909 176.821 174.990 -0.129 0.000 1.326 286 C CA -0.212 58.627 59.018 -0.298 0.000 1.846 286 C CB -0.427 27.012 27.740 -0.501 0.000 2.534 286 C HN 0.384 nan 8.230 nan 0.000 0.649 287 F N -1.110 118.830 119.950 -0.017 0.000 2.727 287 F HA 0.304 4.832 4.527 0.002 0.000 0.302 287 F C 0.827 176.604 175.800 -0.039 0.000 1.107 287 F CA -0.705 57.288 58.000 -0.011 0.000 1.277 287 F CB -0.024 38.999 39.000 0.038 0.000 1.079 287 F HN 0.043 nan 8.300 nan 0.000 0.594 288 F N 2.126 121.992 119.950 -0.141 0.000 2.553 288 F HA 0.039 4.567 4.527 0.002 0.000 0.356 288 F C 1.404 177.083 175.800 -0.202 0.000 1.142 288 F CA 0.715 58.546 58.000 -0.282 0.000 1.322 288 F CB 0.459 38.999 39.000 -0.766 0.000 1.126 288 F HN 0.080 nan 8.300 nan 0.000 0.599 289 T N 3.719 117.818 114.554 -0.758 0.000 4.210 289 T HA -0.291 4.060 4.350 0.003 0.000 0.329 289 T C 0.042 174.550 174.700 -0.319 0.000 0.793 289 T CA 0.731 62.484 62.100 -0.579 0.000 1.935 289 T CB -2.028 66.530 68.868 -0.517 0.000 1.918 289 T HN 0.847 nan 8.240 nan 0.000 0.875 290 N N -1.266 117.306 118.700 -0.214 0.000 2.741 290 N HA -0.230 4.512 4.740 0.003 0.000 0.250 290 N C 1.164 176.636 175.510 -0.063 0.000 1.115 290 N CA 2.053 55.044 53.050 -0.098 0.000 0.724 290 N CB -1.672 36.757 38.487 -0.097 0.000 1.090 290 N HN 1.742 nan 8.380 nan 0.000 0.558 291 G N -0.855 107.908 108.800 -0.062 0.000 2.179 291 G HA2 -0.373 3.589 3.960 0.003 0.000 0.260 291 G HA3 -0.373 3.589 3.960 0.003 0.000 0.260 291 G C 0.034 174.735 174.900 -0.333 0.000 0.977 291 G CA 0.552 45.610 45.100 -0.070 0.000 0.641 291 G HN 0.543 nan 8.290 nan 0.000 0.533 292 Q N 0.273 119.785 119.800 -0.479 0.000 3.150 292 Q HA 0.572 4.913 4.340 0.003 0.000 0.297 292 Q C 0.076 175.558 176.000 -0.864 0.000 1.382 292 Q CA 0.139 55.285 55.803 -1.096 0.000 1.059 292 Q CB 0.149 28.564 28.738 -0.538 0.000 1.559 292 Q HN 0.625 nan 8.270 nan 0.000 0.548 293 I N -1.077 119.127 120.570 -0.610 0.000 2.436 293 I HA 0.164 4.335 4.170 0.003 0.000 0.289 293 I C 0.734 176.881 176.117 0.050 0.000 1.010 293 I CA -0.832 60.406 61.300 -0.103 0.000 1.098 293 I CB 1.670 39.687 38.000 0.029 0.000 1.266 293 I HN 0.385 nan 8.210 nan 0.000 0.434 294 C N 1.882 121.322 119.300 0.233 0.000 2.401 294 C HA -0.158 4.304 4.460 0.003 0.000 0.276 294 C C 2.499 177.609 174.990 0.201 0.000 1.233 294 C CA 1.696 60.881 59.018 0.278 0.000 1.753 294 C CB -0.967 26.919 27.740 0.244 0.000 2.029 294 C HN 0.937 nan 8.230 nan 0.000 0.478 295 S N 0.541 116.404 115.700 0.272 0.000 2.597 295 S HA 0.472 4.944 4.470 0.003 0.000 0.224 295 S C 0.589 175.300 174.600 0.185 0.000 0.955 295 S CA 0.329 58.694 58.200 0.275 0.000 0.933 295 S CB -0.369 63.156 63.200 0.541 0.000 0.788 295 S HN 0.577 nan 8.310 nan 0.000 0.488 296 A N 2.764 125.637 122.820 0.088 0.000 2.580 296 A HA 0.336 4.657 4.320 0.003 0.000 0.244 296 A C 0.916 178.501 177.584 0.001 0.000 1.045 296 A CA 0.395 52.436 52.037 0.006 0.000 0.761 296 A CB -0.410 18.568 19.000 -0.037 0.000 0.962 296 A HN 0.663 nan 8.150 nan 0.000 0.512 297 T N 1.279 115.818 114.554 -0.024 0.000 3.455 297 T HA 0.333 4.685 4.350 0.003 0.000 0.286 297 T C 0.958 175.630 174.700 -0.046 0.000 1.157 297 T CA 0.045 62.137 62.100 -0.013 0.000 1.090 297 T CB -0.264 68.604 68.868 0.001 0.000 1.112 297 T HN 0.894 nan 8.240 nan 0.000 0.779 298 S N 1.709 117.381 115.700 -0.048 0.000 2.575 298 S HA 0.199 4.671 4.470 0.003 0.000 0.215 298 S C 0.697 175.275 174.600 -0.036 0.000 0.966 298 S CA -0.683 57.494 58.200 -0.039 0.000 0.911 298 S CB 0.069 63.254 63.200 -0.025 0.000 0.780 298 S HN 0.591 nan 8.310 nan 0.000 0.514 299 R N 1.218 121.674 120.500 -0.073 0.000 2.337 299 R HA 0.446 4.788 4.340 0.003 0.000 0.319 299 R C -1.275 175.048 176.300 0.037 0.000 0.954 299 R CA -0.378 55.675 56.100 -0.078 0.000 0.840 299 R CB 1.399 31.461 30.300 -0.397 0.000 1.164 299 R HN 0.298 nan 8.270 nan 0.000 0.472 300 L N 5.284 126.590 121.223 0.138 0.000 2.305 300 L HA 0.457 4.799 4.340 0.003 0.000 0.281 300 L C -0.698 176.317 176.870 0.241 0.000 1.085 300 L CA -0.460 54.487 54.840 0.178 0.000 0.813 300 L CB 0.829 43.010 42.059 0.203 0.000 1.157 300 L HN 0.658 nan 8.230 nan 0.000 0.436 301 I N 6.185 126.882 120.570 0.210 0.000 2.495 301 I HA 0.216 4.388 4.170 0.003 0.000 0.277 301 I C -0.447 175.852 176.117 0.303 0.000 1.045 301 I CA -0.530 60.925 61.300 0.259 0.000 1.135 301 I CB 1.532 39.633 38.000 0.169 0.000 1.241 301 I HN 0.245 nan 8.210 nan 0.000 0.469 302 V N 2.464 122.517 119.914 0.232 0.000 2.472 302 V HA 0.382 4.503 4.120 0.003 0.000 0.290 302 V C 0.465 176.353 176.094 -0.344 0.000 1.037 302 V CA -0.823 61.495 62.300 0.030 0.000 0.908 302 V CB 1.332 33.172 31.823 0.029 0.000 0.985 302 V HN 0.591 nan 8.190 nan 0.000 0.454 303 H N 3.763 122.343 119.070 -0.816 0.000 2.928 303 H HA 0.021 4.579 4.556 0.003 0.000 0.338 303 H C 1.344 176.343 175.328 -0.548 0.000 1.047 303 H CA 0.951 56.266 56.048 -1.220 0.000 1.435 303 H CB 1.179 30.438 29.762 -0.837 0.000 1.428 303 H HN 1.022 nan 8.280 nan 0.000 0.590 304 E N 1.956 121.561 120.200 -0.991 0.000 2.204 304 E HA -0.192 4.160 4.350 0.003 0.000 0.195 304 E C 1.645 178.074 176.600 -0.286 0.000 0.990 304 E CA 1.311 57.404 56.400 -0.512 0.000 0.821 304 E CB -0.027 29.400 29.700 -0.454 0.000 0.750 304 E HN 0.580 nan 8.360 nan 0.000 0.477 305 S N 1.326 116.899 115.700 -0.213 0.000 2.474 305 S HA -0.088 4.383 4.470 0.003 0.000 0.235 305 S C 1.981 176.610 174.600 0.049 0.000 0.997 305 S CA 0.894 59.115 58.200 0.035 0.000 0.949 305 S CB -0.639 62.690 63.200 0.215 0.000 0.766 305 S HN 0.611 nan 8.310 nan 0.000 0.517 306 I N -3.090 117.502 120.570 0.037 0.000 4.327 306 I HA 0.618 4.789 4.170 0.003 0.000 0.331 306 I C 2.051 178.215 176.117 0.078 0.000 1.348 306 I CA 0.002 61.333 61.300 0.052 0.000 1.152 306 I CB -0.205 37.814 38.000 0.031 0.000 1.151 306 I HN 0.143 nan 8.210 nan 0.000 0.410 307 A N 2.147 124.981 122.820 0.023 0.000 1.881 307 A HA -0.279 4.043 4.320 0.003 0.000 0.219 307 A C 2.490 180.153 177.584 0.131 0.000 1.215 307 A CA 3.178 55.255 52.037 0.068 0.000 0.648 307 A CB -1.272 17.719 19.000 -0.015 0.000 0.832 307 A HN 0.514 nan 8.150 nan 0.000 0.455 308 V N 0.913 120.876 119.914 0.082 0.000 2.453 308 V HA -0.231 3.891 4.120 0.003 0.000 0.247 308 V C 2.258 178.411 176.094 0.098 0.000 1.048 308 V CA 2.656 65.004 62.300 0.079 0.000 1.049 308 V CB -0.835 31.016 31.823 0.046 0.000 0.672 308 V HN 0.847 nan 8.190 nan 0.000 0.457 309 E N -0.432 119.837 120.200 0.115 0.000 2.107 309 E HA -0.220 4.131 4.350 0.003 0.000 0.191 309 E C 2.145 178.847 176.600 0.169 0.000 0.982 309 E CA 1.515 57.990 56.400 0.124 0.000 0.809 309 E CB -0.786 28.983 29.700 0.116 0.000 0.756 309 E HN 0.597 nan 8.360 nan 0.000 0.459 310 F N 2.585 122.572 119.950 0.062 0.000 2.069 310 F HA -0.204 4.324 4.527 0.003 0.000 0.298 310 F C 2.126 177.974 175.800 0.081 0.000 1.113 310 F CA 1.490 59.532 58.000 0.070 0.000 1.214 310 F CB -0.421 38.612 39.000 0.055 0.000 0.978 310 F HN -0.143 nan 8.300 nan 0.000 0.474 311 V N 0.593 120.531 119.914 0.040 0.000 2.332 311 V HA -0.339 3.782 4.120 0.003 0.000 0.248 311 V C 2.152 178.225 176.094 -0.034 0.000 1.055 311 V CA 2.276 64.550 62.300 -0.043 0.000 1.038 311 V CB -0.964 30.902 31.823 0.072 0.000 0.651 311 V HN 0.425 nan 8.190 nan 0.000 0.450 312 D N 0.066 120.479 120.400 0.021 0.000 2.144 312 D HA -0.184 4.458 4.640 0.003 0.000 0.199 312 D C 2.162 178.487 176.300 0.042 0.000 0.984 312 D CA 1.423 55.445 54.000 0.037 0.000 0.834 312 D CB -0.125 40.706 40.800 0.051 0.000 0.955 312 D HN 0.383 nan 8.370 nan 0.000 0.465 313 K N -0.636 119.786 120.400 0.036 0.000 2.057 313 K HA -0.092 4.230 4.320 0.003 0.000 0.206 313 K C 1.997 178.691 176.600 0.157 0.000 1.050 313 K CA 0.518 56.873 56.287 0.112 0.000 0.935 313 K CB -0.090 32.490 32.500 0.134 0.000 0.715 313 K HN 0.127 nan 8.250 nan 0.000 0.439 314 L N 0.736 121.911 121.223 -0.079 0.000 2.012 314 L HA -0.204 4.137 4.340 0.003 0.000 0.210 314 L C 2.211 179.157 176.870 0.128 0.000 1.073 314 L CA 1.491 56.297 54.840 -0.056 0.000 0.748 314 L CB -0.739 41.187 42.059 -0.223 0.000 0.891 314 L HN -0.038 nan 8.230 nan 0.000 0.431 315 V N -0.665 119.302 119.914 0.088 0.000 2.332 315 V HA -0.340 3.781 4.120 0.003 0.000 0.248 315 V C 2.483 178.641 176.094 0.106 0.000 1.055 315 V CA 1.788 64.148 62.300 0.099 0.000 1.038 315 V CB -0.632 31.229 31.823 0.064 0.000 0.651 315 V HN 0.464 nan 8.190 nan 0.000 0.450 316 K N -1.370 119.093 120.400 0.105 0.000 2.025 316 K HA -0.196 4.125 4.320 0.003 0.000 0.207 316 K C 1.996 178.628 176.600 0.052 0.000 1.049 316 K CA 1.931 58.247 56.287 0.049 0.000 0.933 316 K CB -0.313 32.191 32.500 0.007 0.000 0.714 316 K HN 0.475 nan 8.250 nan 0.000 0.438 317 W N 1.025 122.333 121.300 0.015 0.000 2.358 317 W HA -0.161 4.501 4.660 0.002 0.000 0.303 317 W C 2.526 179.089 176.519 0.073 0.000 1.208 317 W CA 1.496 58.863 57.345 0.037 0.000 1.274 317 W CB -0.487 28.994 29.460 0.035 0.000 1.138 317 W HN 0.139 nan 8.180 nan 0.000 0.515 318 A N 0.092 123.112 122.820 0.334 0.000 1.902 318 A HA -0.229 4.092 4.320 0.003 0.000 0.217 318 A C 1.763 179.400 177.584 0.089 0.000 1.181 318 A CA 1.853 54.028 52.037 0.230 0.000 0.623 318 A CB -0.783 18.351 19.000 0.224 0.000 0.818 318 A HN 0.386 nan 8.150 nan 0.000 0.443 319 E N -0.831 119.409 120.200 0.067 0.000 2.347 319 E HA -0.124 4.227 4.350 0.003 0.000 0.196 319 E C 0.996 177.596 176.600 -0.001 0.000 1.008 319 E CA 0.695 57.106 56.400 0.019 0.000 0.852 319 E CB -0.089 29.618 29.700 0.011 0.000 0.783 319 E HN 0.578 nan 8.360 nan 0.000 0.505 320 N N 0.415 119.115 118.700 0.000 0.000 2.314 320 N HA 0.066 4.808 4.740 0.003 0.000 0.200 320 N C -0.449 175.063 175.510 0.003 0.000 1.135 320 N CA 0.000 53.029 53.050 -0.035 0.000 0.835 320 N CB 0.298 38.720 38.487 -0.109 0.000 0.989 320 N HN -0.004 nan 8.380 nan 0.000 0.478 321 I N 1.327 121.924 120.570 0.044 0.000 2.396 321 I HA 0.036 4.208 4.170 0.003 0.000 0.289 321 I C 0.633 176.773 176.117 0.039 0.000 1.056 321 I CA -0.479 60.862 61.300 0.068 0.000 1.365 321 I CB 0.718 38.775 38.000 0.096 0.000 1.407 321 I HN 0.011 nan 8.210 nan 0.000 0.509 322 K N 8.104 128.527 120.400 0.037 0.000 2.378 322 K HA 0.304 4.626 4.320 0.003 0.000 0.288 322 K C -0.748 175.885 176.600 0.054 0.000 1.057 322 K CA -0.155 56.149 56.287 0.027 0.000 0.971 322 K CB 0.323 32.831 32.500 0.013 0.000 0.975 322 K HN 0.515 nan 8.250 nan 0.000 0.475 323 I N 4.259 124.875 120.570 0.076 0.000 2.336 323 I HA 0.228 4.399 4.170 0.003 0.000 0.292 323 I C -0.059 176.059 176.117 0.002 0.000 0.991 323 I CA -0.252 61.089 61.300 0.068 0.000 1.227 323 I CB 1.537 39.566 38.000 0.048 0.000 1.366 323 I HN 0.788 nan 8.210 nan 0.000 0.466 324 S N 2.330 118.020 115.700 -0.016 0.000 2.694 324 S HA 0.252 4.723 4.470 0.003 0.000 0.273 324 S C -1.215 173.444 174.600 0.098 0.000 1.180 324 S CA -1.149 56.988 58.200 -0.105 0.000 0.864 324 S CB 0.866 64.054 63.200 -0.020 0.000 1.198 324 S HN 0.596 nan 8.310 nan 0.000 0.499 325 D N 1.715 122.158 120.400 0.071 0.000 2.525 325 D HA 0.305 4.947 4.640 0.003 0.000 0.235 325 D C -1.547 174.808 176.300 0.091 0.000 1.137 325 D CA -1.127 52.955 54.000 0.137 0.000 0.868 325 D CB 0.855 41.687 40.800 0.053 0.000 1.180 325 D HN 0.185 nan 8.370 nan 0.000 0.465 326 P HA -0.121 nan 4.420 nan 0.000 0.219 326 P C 1.009 178.319 177.300 0.017 0.000 1.146 326 P CA 1.029 64.146 63.100 0.029 0.000 0.808 326 P CB 0.136 31.831 31.700 -0.008 0.000 0.779 327 L N -1.231 120.002 121.223 0.016 0.000 2.341 327 L HA 0.034 4.375 4.340 0.003 0.000 0.214 327 L C 1.421 178.298 176.870 0.012 0.000 1.115 327 L CA 0.190 55.036 54.840 0.010 0.000 0.820 327 L CB -0.756 41.305 42.059 0.003 0.000 0.944 327 L HN 0.033 nan 8.230 nan 0.000 0.452 328 E N 2.040 122.248 120.200 0.014 0.000 2.414 328 E HA -0.079 4.272 4.350 0.003 0.000 0.263 328 E C 0.159 176.767 176.600 0.013 0.000 1.000 328 E CA -0.131 56.275 56.400 0.010 0.000 0.914 328 E CB 0.566 30.270 29.700 0.007 0.000 0.948 328 E HN 0.081 nan 8.360 nan 0.000 0.444 329 E N 2.475 122.680 120.200 0.009 0.000 2.413 329 E HA 0.015 4.366 4.350 0.003 0.000 0.263 329 E C 0.568 177.176 176.600 0.013 0.000 1.015 329 E CA 0.970 57.377 56.400 0.012 0.000 0.916 329 E CB 0.388 30.093 29.700 0.007 0.000 0.947 329 E HN 0.863 nan 8.360 nan 0.000 0.440 330 G N 3.110 111.923 108.800 0.021 0.000 2.179 330 G HA2 -0.328 3.634 3.960 0.003 0.000 0.260 330 G HA3 -0.328 3.634 3.960 0.003 0.000 0.260 330 G C 0.458 175.378 174.900 0.033 0.000 0.977 330 G CA 0.139 45.253 45.100 0.024 0.000 0.641 330 G HN 0.737 nan 8.290 nan 0.000 0.533 331 C N 1.073 120.394 119.300 0.034 0.000 2.596 331 C HA 0.567 5.029 4.460 0.003 0.000 0.414 331 C C 1.708 176.730 174.990 0.053 0.000 1.396 331 C CA 0.488 59.531 59.018 0.042 0.000 1.698 331 C CB 0.084 27.848 27.740 0.040 0.000 2.572 331 C HN 0.470 nan 8.230 nan 0.000 0.604 332 R N 2.582 123.120 120.500 0.063 0.000 2.521 332 R HA 0.364 4.706 4.340 0.003 0.000 0.289 332 R C -1.023 175.316 176.300 0.066 0.000 0.936 332 R CA -0.074 56.076 56.100 0.083 0.000 1.089 332 R CB 0.237 30.605 30.300 0.114 0.000 1.348 332 R HN 0.685 nan 8.270 nan 0.000 0.536 333 L N -0.254 121.005 121.223 0.059 0.000 2.562 333 L HA 0.620 4.961 4.340 0.003 0.000 0.266 333 L C -0.462 176.479 176.870 0.117 0.000 0.949 333 L CA -0.479 54.394 54.840 0.054 0.000 0.879 333 L CB 1.872 43.963 42.059 0.054 0.000 1.278 333 L HN 0.103 nan 8.230 nan 0.000 0.404 334 G N 3.495 112.333 108.800 0.063 0.000 2.671 334 G HA2 0.741 4.702 3.960 0.003 0.000 0.275 334 G HA3 0.741 4.702 3.960 0.003 0.000 0.275 334 G C -2.929 171.899 174.900 -0.121 0.000 1.368 334 G CA -1.294 43.859 45.100 0.088 0.000 1.044 334 G HN 0.449 nan 8.290 nan 0.000 0.543 335 P HA 0.293 nan 4.420 nan 0.000 0.276 335 P C -0.192 176.916 177.300 -0.320 0.000 1.252 335 P CA -0.473 62.125 63.100 -0.837 0.000 0.802 335 P CB 1.172 32.138 31.700 -1.224 0.000 1.035 336 I N 1.528 121.995 120.570 -0.173 0.000 2.754 336 I HA -0.069 4.103 4.170 0.003 0.000 0.285 336 I C 2.208 178.259 176.117 -0.110 0.000 1.166 336 I CA -0.090 61.176 61.300 -0.055 0.000 1.417 336 I CB 0.274 38.325 38.000 0.086 0.000 1.382 336 I HN 0.174 nan 8.210 nan 0.000 0.588 337 V N 4.895 124.684 119.914 -0.209 0.000 2.392 337 V HA -0.159 3.962 4.120 0.003 0.000 0.249 337 V C 1.085 176.992 176.094 -0.312 0.000 1.059 337 V CA 2.123 64.220 62.300 -0.338 0.000 1.051 337 V CB 0.109 31.473 31.823 -0.765 0.000 0.658 337 V HN 0.980 nan 8.190 nan 0.000 0.455 338 S N -2.621 112.818 115.700 -0.437 0.000 2.625 338 S HA 0.355 4.826 4.470 0.003 0.000 0.271 338 S C 0.490 174.483 174.600 -1.012 0.000 1.161 338 S CA 0.074 57.918 58.200 -0.595 0.000 0.820 338 S CB 1.484 64.424 63.200 -0.434 0.000 1.137 338 S HN 0.316 nan 8.310 nan 0.000 0.470 339 E N 0.888 120.391 120.200 -1.160 0.000 2.051 339 E HA -0.115 4.237 4.350 0.003 0.000 0.192 339 E C 2.110 178.515 176.600 -0.325 0.000 0.991 339 E CA 1.630 57.524 56.400 -0.843 0.000 0.799 339 E CB -0.621 28.847 29.700 -0.387 0.000 0.748 339 E HN 0.775 nan 8.360 nan 0.000 0.449 340 A N 0.746 123.418 122.820 -0.247 0.000 1.908 340 A HA -0.240 4.081 4.320 0.003 0.000 0.218 340 A C 2.197 179.720 177.584 -0.102 0.000 1.181 340 A CA 1.624 53.583 52.037 -0.131 0.000 0.627 340 A CB -0.526 18.410 19.000 -0.106 0.000 0.818 340 A HN 0.296 nan 8.150 nan 0.000 0.445 341 Q N -1.777 117.938 119.800 -0.141 0.000 2.079 341 Q HA -0.159 4.183 4.340 0.003 0.000 0.200 341 Q C 1.975 177.970 176.000 -0.010 0.000 0.974 341 Q CA 1.687 57.455 55.803 -0.057 0.000 0.840 341 Q CB -0.647 28.035 28.738 -0.094 0.000 0.898 341 Q HN 0.828 nan 8.270 nan 0.000 0.430 342 Y N 2.037 122.211 120.300 -0.210 0.000 2.114 342 Y HA -0.259 4.293 4.550 0.003 0.000 0.282 342 Y C 2.072 177.933 175.900 -0.065 0.000 1.165 342 Y CA 1.771 59.789 58.100 -0.137 0.000 1.148 342 Y CB -0.018 38.315 38.460 -0.211 0.000 0.972 342 Y HN -0.003 nan 8.280 nan 0.000 0.504 343 K N -0.013 120.327 120.400 -0.100 0.000 2.057 343 K HA -0.170 4.151 4.320 0.003 0.000 0.206 343 K C 2.142 178.679 176.600 -0.106 0.000 1.050 343 K CA 1.646 57.850 56.287 -0.138 0.000 0.935 343 K CB -0.159 32.311 32.500 -0.051 0.000 0.715 343 K HN 0.312 nan 8.250 nan 0.000 0.439 344 K N 0.615 120.983 120.400 -0.054 0.000 2.057 344 K HA -0.115 4.207 4.320 0.003 0.000 0.207 344 K C 2.112 178.707 176.600 -0.009 0.000 1.049 344 K CA 1.186 57.464 56.287 -0.014 0.000 0.931 344 K CB -0.118 32.394 32.500 0.020 0.000 0.714 344 K HN -0.057 nan 8.250 nan 0.000 0.440 345 V N 2.063 121.966 119.914 -0.018 0.000 2.261 345 V HA -0.257 3.865 4.120 0.003 0.000 0.246 345 V C 2.285 178.341 176.094 -0.063 0.000 1.047 345 V CA 1.638 63.933 62.300 -0.008 0.000 1.015 345 V CB -0.460 31.371 31.823 0.012 0.000 0.642 345 V HN 0.290 nan 8.190 nan 0.000 0.446 346 L N 0.085 121.204 121.223 -0.173 0.000 2.043 346 L HA -0.256 4.086 4.340 0.003 0.000 0.212 346 L C 2.278 179.096 176.870 -0.088 0.000 1.075 346 L CA 2.201 56.933 54.840 -0.179 0.000 0.752 346 L CB -0.892 40.977 42.059 -0.318 0.000 0.891 346 L HN 0.482 nan 8.230 nan 0.000 0.432 347 N N -0.994 117.666 118.700 -0.067 0.000 2.223 347 N HA -0.163 4.578 4.740 0.003 0.000 0.185 347 N C 1.914 177.424 175.510 0.001 0.000 1.016 347 N CA 1.235 54.269 53.050 -0.026 0.000 0.863 347 N CB -0.155 38.322 38.487 -0.017 0.000 0.983 347 N HN 0.350 nan 8.380 nan 0.000 0.429 348 C N 0.653 119.961 119.300 0.012 0.000 2.429 348 C HA -0.035 4.427 4.460 0.003 0.000 0.277 348 C C 2.550 177.565 174.990 0.041 0.000 1.262 348 C CA 0.315 59.357 59.018 0.040 0.000 1.733 348 C CB -0.929 26.846 27.740 0.058 0.000 2.010 348 C HN 0.426 nan 8.230 nan 0.000 0.483 349 I N 1.885 122.469 120.570 0.025 0.000 2.179 349 I HA -0.194 3.977 4.170 0.003 0.000 0.242 349 I C 2.676 178.807 176.117 0.024 0.000 1.088 349 I CA 2.083 63.399 61.300 0.027 0.000 1.357 349 I CB -0.494 37.512 38.000 0.010 0.000 1.051 349 I HN 0.422 nan 8.210 nan 0.000 0.409 350 S N -0.172 115.533 115.700 0.009 0.000 2.368 350 S HA -0.132 4.340 4.470 0.003 0.000 0.224 350 S C 2.079 176.691 174.600 0.020 0.000 1.029 350 S CA 1.337 59.543 58.200 0.010 0.000 0.988 350 S CB -0.581 62.618 63.200 -0.001 0.000 0.838 350 S HN 0.317 nan 8.310 nan 0.000 0.462 351 S N 2.356 118.070 115.700 0.024 0.000 2.419 351 S HA 0.080 4.551 4.470 0.003 0.000 0.233 351 S C 2.246 176.872 174.600 0.043 0.000 1.016 351 S CA 0.981 59.201 58.200 0.033 0.000 0.974 351 S CB -0.781 62.442 63.200 0.038 0.000 0.786 351 S HN 0.788 nan 8.310 nan 0.000 0.492 352 A N 1.822 124.672 122.820 0.049 0.000 1.873 352 A HA -0.110 4.212 4.320 0.003 0.000 0.215 352 A C 2.062 179.675 177.584 0.048 0.000 1.186 352 A CA 1.545 53.617 52.037 0.060 0.000 0.616 352 A CB -0.493 18.549 19.000 0.071 0.000 0.823 352 A HN 0.408 nan 8.150 nan 0.000 0.442 353 K N -0.070 120.354 120.400 0.038 0.000 2.057 353 K HA -0.116 4.206 4.320 0.003 0.000 0.207 353 K C 2.182 178.798 176.600 0.027 0.000 1.049 353 K CA 1.578 57.884 56.287 0.031 0.000 0.931 353 K CB -0.199 32.316 32.500 0.025 0.000 0.714 353 K HN 0.452 nan 8.250 nan 0.000 0.440 354 S N 1.112 116.828 115.700 0.026 0.000 2.419 354 S HA -0.119 4.353 4.470 0.003 0.000 0.235 354 S C 1.278 175.893 174.600 0.024 0.000 1.019 354 S CA 1.226 59.439 58.200 0.022 0.000 0.982 354 S CB -0.109 63.104 63.200 0.021 0.000 0.789 354 S HN 0.397 nan 8.310 nan 0.000 0.490 355 E N -0.245 119.973 120.200 0.030 0.000 2.489 355 E HA 0.209 4.561 4.350 0.003 0.000 0.193 355 E C 1.249 177.863 176.600 0.025 0.000 1.057 355 E CA 0.293 56.711 56.400 0.030 0.000 0.866 355 E CB 0.250 29.974 29.700 0.041 0.000 0.916 355 E HN 0.562 nan 8.360 nan 0.000 0.500 356 G N 0.871 109.685 108.800 0.024 0.000 2.192 356 G HA2 -0.219 3.743 3.960 0.003 0.000 0.193 356 G HA3 -0.219 3.743 3.960 0.003 0.000 0.193 356 G C 0.367 175.280 174.900 0.022 0.000 0.999 356 G CA -0.124 44.987 45.100 0.019 0.000 0.659 356 G HN 0.412 nan 8.290 nan 0.000 0.503 357 A N -0.009 122.830 122.820 0.031 0.000 2.313 357 A HA 0.737 5.058 4.320 0.003 0.000 0.261 357 A C 0.552 178.159 177.584 0.038 0.000 1.090 357 A CA 0.971 53.031 52.037 0.038 0.000 0.807 357 A CB 0.472 19.506 19.000 0.056 0.000 1.055 357 A HN 0.712 nan 8.150 nan 0.000 0.492 358 T N 2.420 116.999 114.554 0.042 0.000 2.758 358 T HA 0.416 4.768 4.350 0.003 0.000 0.285 358 T C -0.047 174.682 174.700 0.050 0.000 0.981 358 T CA -0.191 61.933 62.100 0.040 0.000 0.965 358 T CB 0.367 69.256 68.868 0.036 0.000 0.927 358 T HN 0.359 nan 8.240 nan 0.000 0.448 359 I N 5.067 125.664 120.570 0.045 0.000 2.347 359 I HA 0.140 4.312 4.170 0.003 0.000 0.294 359 I C 1.294 177.439 176.117 0.046 0.000 1.090 359 I CA -0.133 61.196 61.300 0.049 0.000 1.314 359 I CB 0.050 38.074 38.000 0.040 0.000 1.423 359 I HN 0.674 nan 8.210 nan 0.000 0.503 360 L N 3.750 125.006 121.223 0.055 0.000 2.095 360 L HA -0.022 4.320 4.340 0.003 0.000 0.204 360 L C 1.058 177.956 176.870 0.046 0.000 1.080 360 L CA 1.293 56.163 54.840 0.051 0.000 0.759 360 L CB 0.187 42.282 42.059 0.060 0.000 0.914 360 L HN 0.689 nan 8.230 nan 0.000 0.439 361 T N -2.067 112.517 114.554 0.051 0.000 2.868 361 T HA 0.528 4.879 4.350 0.003 0.000 0.306 361 T C -0.120 174.596 174.700 0.025 0.000 1.224 361 T CA 0.171 62.293 62.100 0.037 0.000 1.012 361 T CB 1.553 70.446 68.868 0.041 0.000 1.221 361 T HN 0.535 nan 8.240 nan 0.000 0.499 362 G N 1.783 110.588 108.800 0.009 0.000 2.552 362 G HA2 0.246 4.208 3.960 0.003 0.000 0.265 362 G HA3 0.246 4.208 3.960 0.003 0.000 0.265 362 G C 1.013 175.919 174.900 0.009 0.000 1.234 362 G CA 0.987 46.085 45.100 -0.003 0.000 0.944 362 G HN 2.425 nan 8.290 nan 0.000 0.568 363 G N -1.611 107.192 108.800 0.006 0.000 2.143 363 G HA2 -0.041 3.920 3.960 0.003 0.000 0.249 363 G HA3 -0.041 3.920 3.960 0.003 0.000 0.249 363 G C 0.308 175.211 174.900 0.005 0.000 0.981 363 G CA 1.785 46.890 45.100 0.008 0.000 0.665 363 G HN 1.200 nan 8.290 nan 0.000 0.528 364 R N -0.857 119.653 120.500 0.016 0.000 2.799 364 R HA 0.619 4.960 4.340 0.003 0.000 0.270 364 R C 0.461 176.796 176.300 0.059 0.000 1.010 364 R CA -0.926 55.191 56.100 0.029 0.000 0.916 364 R CB 1.104 31.419 30.300 0.026 0.000 1.228 364 R HN 0.413 nan 8.270 nan 0.000 0.469 365 R N 1.004 121.556 120.500 0.088 0.000 2.438 365 R HA 0.362 4.703 4.340 0.003 0.000 0.287 365 R C -2.378 173.946 176.300 0.040 0.000 1.077 365 R CA -1.556 54.616 56.100 0.121 0.000 1.034 365 R CB 0.200 30.613 30.300 0.187 0.000 0.993 365 R HN 0.173 nan 8.270 nan 0.000 0.459 366 P HA 0.001 nan 4.420 nan 0.000 0.269 366 P C 0.067 177.303 177.300 -0.106 0.000 1.209 366 P CA -0.240 62.812 63.100 -0.080 0.000 0.776 366 P CB 0.720 32.263 31.700 -0.261 0.000 0.876 367 E N 1.462 121.663 120.200 0.002 0.000 2.077 367 E HA -0.206 4.145 4.350 0.003 0.000 0.193 367 E C 1.572 178.166 176.600 -0.010 0.000 0.989 367 E CA 1.743 58.152 56.400 0.015 0.000 0.800 367 E CB -0.778 28.955 29.700 0.055 0.000 0.746 367 E HN 0.734 nan 8.360 nan 0.000 0.452 368 H N -1.153 117.865 119.070 -0.088 0.000 2.556 368 H HA 0.239 4.796 4.556 0.003 0.000 0.268 368 H C 0.391 175.626 175.328 -0.154 0.000 0.996 368 H CA 0.086 56.069 56.048 -0.108 0.000 1.157 368 H CB -0.244 29.452 29.762 -0.110 0.000 1.355 368 H HN -0.062 nan 8.280 nan 0.000 0.597 369 L N 1.496 122.424 121.223 -0.493 0.000 2.442 369 L HA 0.306 4.647 4.340 0.003 0.000 0.261 369 L C 0.266 176.990 176.870 -0.243 0.000 1.000 369 L CA -0.364 54.191 54.840 -0.475 0.000 0.882 369 L CB 1.832 43.365 42.059 -0.876 0.000 1.207 369 L HN 0.141 nan 8.230 nan 0.000 0.443 370 K N 1.005 121.317 120.400 -0.147 0.000 2.379 370 K HA 0.202 4.524 4.320 0.003 0.000 0.194 370 K C 0.217 176.782 176.600 -0.058 0.000 1.031 370 K CA 0.350 56.592 56.287 -0.075 0.000 1.037 370 K CB 0.563 33.031 32.500 -0.054 0.000 0.824 370 K HN 0.364 nan 8.250 nan 0.000 0.516 371 K N 0.343 120.699 120.400 -0.073 0.000 2.328 371 K HA 0.450 4.772 4.320 0.003 0.000 0.246 371 K C -0.343 176.235 176.600 -0.036 0.000 0.955 371 K CA -0.444 55.795 56.287 -0.079 0.000 0.817 371 K CB 2.207 34.654 32.500 -0.090 0.000 1.208 371 K HN 0.169 nan 8.250 nan 0.000 0.432 372 G N 0.861 109.522 108.800 -0.231 0.000 2.663 372 G HA2 -0.220 3.741 3.960 0.003 0.000 0.686 372 G HA3 -0.220 3.741 3.960 0.003 0.000 0.686 372 G C -0.943 173.585 174.900 -0.619 0.000 1.246 372 G CA -0.909 43.923 45.100 -0.448 0.000 0.795 372 G HN 0.597 nan 8.290 nan 0.000 0.627 373 Y N 0.083 119.962 120.300 -0.701 0.000 2.971 373 Y HA 0.454 5.006 4.550 0.003 0.000 0.384 373 Y C 0.862 176.339 175.900 -0.705 0.000 1.166 373 Y CA -0.529 56.923 58.100 -1.080 0.000 1.973 373 Y CB -0.315 37.689 38.460 -0.761 0.000 2.082 373 Y HN 0.329 nan 8.280 nan 0.000 0.420 374 F N 0.305 120.139 119.950 -0.193 0.000 2.404 374 F HA 0.528 5.056 4.527 0.002 0.000 0.339 374 F C 0.023 175.959 175.800 0.226 0.000 1.105 374 F CA -1.021 56.988 58.000 0.014 0.000 1.087 374 F CB 1.109 40.055 39.000 -0.089 0.000 1.143 374 F HN -0.200 nan 8.300 nan 0.000 0.491 375 V N 1.869 121.987 119.914 0.339 0.000 2.789 375 V HA 0.323 4.444 4.120 0.003 0.000 0.311 375 V C -0.354 175.799 176.094 0.099 0.000 1.073 375 V CA -1.373 61.052 62.300 0.209 0.000 0.921 375 V CB 1.814 33.718 31.823 0.136 0.000 1.009 375 V HN 0.640 nan 8.190 nan 0.000 0.426 376 E N 3.112 123.337 120.200 0.042 0.000 2.383 376 E HA 0.251 4.603 4.350 0.003 0.000 0.264 376 E C -2.496 174.026 176.600 -0.130 0.000 1.050 376 E CA -1.613 54.772 56.400 -0.026 0.000 0.896 376 E CB 0.590 30.282 29.700 -0.013 0.000 0.982 376 E HN 0.442 nan 8.360 nan 0.000 0.424 377 P HA -0.022 nan 4.420 nan 0.000 0.263 377 P C -1.039 176.041 177.300 -0.367 0.000 1.195 377 P CA 0.453 63.150 63.100 -0.672 0.000 0.762 377 P CB 0.478 31.592 31.700 -0.977 0.000 0.799 378 T N 4.588 119.013 114.554 -0.214 0.000 2.807 378 T HA 0.602 4.954 4.350 0.003 0.000 0.279 378 T C 0.080 174.901 174.700 0.202 0.000 0.993 378 T CA -0.346 61.772 62.100 0.029 0.000 0.970 378 T CB 0.618 69.513 68.868 0.045 0.000 0.950 378 T HN 0.167 nan 8.240 nan 0.000 0.441 379 I N 3.576 124.250 120.570 0.174 0.000 2.436 379 I HA 0.509 4.681 4.170 0.003 0.000 0.289 379 I C -0.673 175.523 176.117 0.132 0.000 1.010 379 I CA -0.875 60.541 61.300 0.192 0.000 1.098 379 I CB 1.771 39.881 38.000 0.183 0.000 1.266 379 I HN 0.460 nan 8.210 nan 0.000 0.434 380 I N 5.627 126.278 120.570 0.134 0.000 2.410 380 I HA 0.347 4.519 4.170 0.003 0.000 0.286 380 I C 0.295 176.481 176.117 0.114 0.000 1.009 380 I CA -0.291 61.078 61.300 0.114 0.000 1.111 380 I CB 1.969 40.039 38.000 0.118 0.000 1.262 380 I HN 0.616 nan 8.210 nan 0.000 0.443 381 T N -0.090 114.518 114.554 0.089 0.000 2.844 381 T HA 0.354 4.706 4.350 0.003 0.000 0.274 381 T C -0.002 174.732 174.700 0.056 0.000 0.991 381 T CA -0.634 61.513 62.100 0.078 0.000 0.983 381 T CB 1.173 70.080 68.868 0.065 0.000 1.310 381 T HN 0.604 nan 8.240 nan 0.000 0.596 382 D N -0.273 120.149 120.400 0.036 0.000 2.689 382 D HA -0.114 4.528 4.640 0.003 0.000 0.237 382 D C -0.529 175.775 176.300 0.007 0.000 1.148 382 D CA 0.297 54.305 54.000 0.013 0.000 0.656 382 D CB -1.501 39.307 40.800 0.014 0.000 1.050 382 D HN 0.434 nan 8.370 nan 0.000 0.426 383 V N 0.321 120.236 119.914 0.002 0.000 2.539 383 V HA 0.450 4.572 4.120 0.003 0.000 0.292 383 V C 0.948 176.967 176.094 -0.126 0.000 1.045 383 V CA -0.035 62.261 62.300 -0.007 0.000 0.945 383 V CB 2.197 34.069 31.823 0.082 0.000 0.993 383 V HN 0.105 nan 8.190 nan 0.000 0.464 384 T N 1.713 116.184 114.554 -0.137 0.000 2.887 384 T HA 0.268 4.620 4.350 0.003 0.000 0.288 384 T C 1.191 175.686 174.700 -0.341 0.000 1.021 384 T CA 0.197 62.159 62.100 -0.229 0.000 1.000 384 T CB 1.685 70.483 68.868 -0.117 0.000 1.034 384 T HN 0.949 nan 8.240 nan 0.000 0.467 385 T N -0.840 113.407 114.554 -0.510 0.000 2.929 385 T HA -0.129 4.223 4.350 0.003 0.000 0.271 385 T C 2.007 176.662 174.700 -0.076 0.000 1.085 385 T CA 1.426 63.154 62.100 -0.620 0.000 1.125 385 T CB -0.397 68.203 68.868 -0.446 0.000 0.874 385 T HN 0.561 nan 8.240 nan 0.000 0.494 386 S N 0.484 116.160 115.700 -0.039 0.000 2.562 386 S HA 0.275 4.747 4.470 0.003 0.000 0.221 386 S C 0.847 175.498 174.600 0.086 0.000 0.975 386 S CA -0.395 57.834 58.200 0.048 0.000 0.918 386 S CB -0.733 62.479 63.200 0.020 0.000 0.772 386 S HN 0.496 nan 8.310 nan 0.000 0.531 387 M N 1.619 121.273 119.600 0.091 0.000 2.240 387 M HA 0.184 4.665 4.480 0.003 0.000 0.333 387 M C 1.600 178.013 176.300 0.187 0.000 1.110 387 M CA -0.078 55.295 55.300 0.122 0.000 1.173 387 M CB 0.480 33.147 32.600 0.111 0.000 1.458 387 M HN 0.169 nan 8.290 nan 0.000 0.458 388 Q N 1.043 120.931 119.800 0.146 0.000 2.119 388 Q HA -0.163 4.178 4.340 0.003 0.000 0.201 388 Q C 1.588 177.688 176.000 0.167 0.000 0.972 388 Q CA 1.419 57.309 55.803 0.145 0.000 0.847 388 Q CB -0.223 28.578 28.738 0.105 0.000 0.903 388 Q HN 0.705 nan 8.270 nan 0.000 0.433 389 I N -2.296 118.378 120.570 0.174 0.000 3.001 389 I HA -0.152 4.019 4.170 0.003 0.000 0.268 389 I C 1.814 178.069 176.117 0.230 0.000 1.267 389 I CA 0.871 62.276 61.300 0.175 0.000 1.472 389 I CB -0.754 37.341 38.000 0.159 0.000 1.089 389 I HN 0.274 nan 8.210 nan 0.000 0.468 390 W N 2.265 123.611 121.300 0.076 0.000 2.539 390 W HA 0.036 4.697 4.660 0.003 0.000 0.281 390 W C 2.136 178.714 176.519 0.098 0.000 1.220 390 W CA 0.676 58.067 57.345 0.077 0.000 1.332 390 W CB 0.147 29.645 29.460 0.063 0.000 1.095 390 W HN 0.098 nan 8.180 nan 0.000 0.571 391 R N -0.099 120.530 120.500 0.214 0.000 2.105 391 R HA 0.078 4.419 4.340 0.003 0.000 0.214 391 R C 0.618 177.013 176.300 0.158 0.000 1.091 391 R CA 0.476 56.671 56.100 0.158 0.000 1.007 391 R CB -0.076 30.349 30.300 0.209 0.000 0.912 391 R HN -0.054 nan 8.270 nan 0.000 0.450 392 E N 1.635 121.926 120.200 0.152 0.000 2.204 392 E HA 0.057 4.408 4.350 0.003 0.000 0.276 392 E C -1.097 175.578 176.600 0.124 0.000 0.974 392 E CA -0.297 56.204 56.400 0.168 0.000 0.815 392 E CB 1.632 31.414 29.700 0.137 0.000 1.119 392 E HN 0.046 nan 8.360 nan 0.000 0.393 393 E N 2.834 123.103 120.200 0.116 0.000 2.351 393 E HA 0.012 4.364 4.350 0.003 0.000 0.266 393 E C 0.414 177.086 176.600 0.119 0.000 1.031 393 E CA -0.233 56.197 56.400 0.051 0.000 0.911 393 E CB 0.853 30.522 29.700 -0.051 0.000 0.986 393 E HN 0.290 nan 8.360 nan 0.000 0.446 394 V N 5.423 125.420 119.914 0.139 0.000 2.446 394 V HA -0.105 4.016 4.120 0.003 0.000 0.244 394 V C 0.891 177.147 176.094 0.270 0.000 1.039 394 V CA 0.859 63.257 62.300 0.162 0.000 1.045 394 V CB -0.699 31.200 31.823 0.128 0.000 0.681 394 V HN 0.983 nan 8.190 nan 0.000 0.459 395 F N 0.450 120.431 119.950 0.051 0.000 3.080 395 F HA -0.094 4.435 4.527 0.003 0.000 0.292 395 F C 0.518 176.382 175.800 0.106 0.000 0.891 395 F CA 0.692 58.737 58.000 0.075 0.000 1.086 395 F CB -1.151 37.908 39.000 0.098 0.000 1.095 395 F HN 0.275 nan 8.300 nan 0.000 0.633 396 G N -0.648 108.216 108.800 0.106 0.000 2.727 396 G HA2 0.658 4.620 3.960 0.003 0.000 0.289 396 G HA3 0.658 4.620 3.960 0.003 0.000 0.289 396 G C -3.050 171.911 174.900 0.102 0.000 1.418 396 G CA -0.906 44.241 45.100 0.080 0.000 0.818 396 G HN -0.164 nan 8.290 nan 0.000 0.486 397 P HA 0.295 nan 4.420 nan 0.000 0.235 397 P C -0.645 176.823 177.300 0.280 0.000 1.765 397 P CA -0.084 63.151 63.100 0.225 0.000 1.034 397 P CB 0.247 31.913 31.700 -0.057 0.000 1.984 398 V N 3.762 123.882 119.914 0.343 0.000 2.447 398 V HA 0.270 4.391 4.120 0.003 0.000 0.292 398 V C -0.175 176.069 176.094 0.251 0.000 1.021 398 V CA -0.827 61.640 62.300 0.279 0.000 0.850 398 V CB 2.155 34.072 31.823 0.156 0.000 1.005 398 V HN 0.145 nan 8.190 nan 0.000 0.426 399 L N 4.903 126.292 121.223 0.276 0.000 2.282 399 L HA 0.914 5.256 4.340 0.003 0.000 0.288 399 L C 0.374 177.335 176.870 0.153 0.000 1.033 399 L CA 0.016 54.942 54.840 0.143 0.000 0.807 399 L CB 1.325 43.418 42.059 0.057 0.000 1.209 399 L HN 0.741 nan 8.230 nan 0.000 0.423 400 A N 5.125 128.034 122.820 0.148 0.000 2.309 400 A HA 0.725 5.046 4.320 0.003 0.000 0.298 400 A C -0.977 176.754 177.584 0.244 0.000 1.165 400 A CA -0.492 51.670 52.037 0.207 0.000 0.821 400 A CB 0.901 20.060 19.000 0.264 0.000 1.102 400 A HN 0.553 nan 8.150 nan 0.000 0.500 401 V N 3.696 123.751 119.914 0.235 0.000 2.407 401 V HA 0.402 4.523 4.120 0.003 0.000 0.291 401 V C 0.009 176.219 176.094 0.193 0.000 1.018 401 V CA -0.556 61.876 62.300 0.220 0.000 0.842 401 V CB 1.264 33.186 31.823 0.166 0.000 0.996 401 V HN 0.969 nan 8.190 nan 0.000 0.426 402 K N 1.573 122.106 120.400 0.222 0.000 2.306 402 K HA 0.753 5.075 4.320 0.003 0.000 0.236 402 K C -0.527 176.142 176.600 0.115 0.000 1.013 402 K CA -0.697 55.645 56.287 0.092 0.000 0.857 402 K CB 2.444 34.904 32.500 -0.065 0.000 1.214 402 K HN 0.646 nan 8.250 nan 0.000 0.449 403 T N 0.571 115.154 114.554 0.050 0.000 2.932 403 T HA 0.726 5.078 4.350 0.003 0.000 0.289 403 T C -1.450 173.295 174.700 0.076 0.000 1.039 403 T CA -0.684 61.425 62.100 0.015 0.000 1.024 403 T CB 0.481 69.307 68.868 -0.070 0.000 1.090 403 T HN 0.443 nan 8.240 nan 0.000 0.496 404 F N 0.508 120.387 119.950 -0.118 0.000 2.643 404 F HA 0.772 5.301 4.527 0.003 0.000 0.314 404 F C 0.567 176.253 175.800 -0.189 0.000 1.096 404 F CA -0.745 57.187 58.000 -0.113 0.000 0.953 404 F CB 1.322 40.276 39.000 -0.077 0.000 1.345 404 F HN 0.464 nan 8.300 nan 0.000 0.468 405 S N -0.104 115.628 115.700 0.055 0.000 2.811 405 S HA 0.220 4.692 4.470 0.003 0.000 0.237 405 S C 0.523 175.321 174.600 0.330 0.000 1.038 405 S CA 0.822 58.999 58.200 -0.038 0.000 0.881 405 S CB -0.475 62.717 63.200 -0.012 0.000 0.815 405 S HN 1.084 nan 8.310 nan 0.000 0.582 406 T N -0.246 114.530 114.554 0.370 0.000 2.943 406 T HA 0.467 4.818 4.350 0.003 0.000 0.284 406 T C 0.758 175.682 174.700 0.373 0.000 1.015 406 T CA -0.281 62.023 62.100 0.340 0.000 1.042 406 T CB 1.550 70.528 68.868 0.184 0.000 1.055 406 T HN 0.389 nan 8.240 nan 0.000 0.500 407 E N 0.463 120.853 120.200 0.317 0.000 2.077 407 E HA -0.235 4.117 4.350 0.003 0.000 0.193 407 E C 1.833 178.472 176.600 0.064 0.000 0.989 407 E CA 1.371 57.918 56.400 0.244 0.000 0.800 407 E CB -0.078 29.770 29.700 0.246 0.000 0.746 407 E HN 0.884 nan 8.360 nan 0.000 0.452 408 E N 0.441 120.683 120.200 0.070 0.000 2.118 408 E HA -0.269 4.083 4.350 0.003 0.000 0.195 408 E C 2.009 178.611 176.600 0.004 0.000 0.992 408 E CA 1.296 57.714 56.400 0.030 0.000 0.804 408 E CB -0.017 29.706 29.700 0.039 0.000 0.741 408 E HN 0.344 nan 8.360 nan 0.000 0.458 409 E N -0.411 119.804 120.200 0.025 0.000 2.072 409 E HA -0.164 4.188 4.350 0.003 0.000 0.190 409 E C 1.955 178.502 176.600 -0.088 0.000 0.982 409 E CA 0.758 57.169 56.400 0.020 0.000 0.803 409 E CB -0.072 29.694 29.700 0.111 0.000 0.755 409 E HN 0.341 nan 8.360 nan 0.000 0.453 410 A N 1.202 123.820 122.820 -0.338 0.000 1.883 410 A HA -0.193 4.129 4.320 0.003 0.000 0.217 410 A C 2.128 179.539 177.584 -0.287 0.000 1.186 410 A CA 1.315 52.945 52.037 -0.678 0.000 0.624 410 A CB -0.674 17.420 19.000 -1.511 0.000 0.822 410 A HN 0.262 nan 8.150 nan 0.000 0.444 411 I N 0.132 120.600 120.570 -0.170 0.000 2.127 411 I HA -0.302 3.869 4.170 0.003 0.000 0.241 411 I C 2.142 178.236 176.117 -0.037 0.000 1.075 411 I CA 1.472 62.727 61.300 -0.076 0.000 1.334 411 I CB -0.504 37.473 38.000 -0.038 0.000 1.040 411 I HN 0.309 nan 8.210 nan 0.000 0.405 412 N N 0.740 119.427 118.700 -0.022 0.000 2.223 412 N HA -0.117 4.624 4.740 0.003 0.000 0.185 412 N C 1.928 177.470 175.510 0.053 0.000 1.016 412 N CA 1.221 54.277 53.050 0.010 0.000 0.863 412 N CB -0.332 38.161 38.487 0.011 0.000 0.983 412 N HN 0.343 nan 8.380 nan 0.000 0.429 413 L N 0.449 121.712 121.223 0.066 0.000 2.093 413 L HA -0.053 4.289 4.340 0.003 0.000 0.208 413 L C 2.349 179.361 176.870 0.236 0.000 1.085 413 L CA 0.922 55.885 54.840 0.205 0.000 0.755 413 L CB -0.364 41.812 42.059 0.195 0.000 0.904 413 L HN 0.101 nan 8.230 nan 0.000 0.435 414 A N -0.048 122.818 122.820 0.077 0.000 1.930 414 A HA -0.148 4.174 4.320 0.003 0.000 0.217 414 A C 1.753 179.336 177.584 -0.003 0.000 1.175 414 A CA 1.544 53.591 52.037 0.016 0.000 0.627 414 A CB -0.372 18.609 19.000 -0.032 0.000 0.815 414 A HN 0.413 nan 8.150 nan 0.000 0.443 415 N N 0.326 119.029 118.700 0.006 0.000 2.322 415 N HA 0.023 4.765 4.740 0.003 0.000 0.194 415 N C -0.397 175.109 175.510 -0.006 0.000 1.126 415 N CA 0.289 53.332 53.050 -0.013 0.000 0.845 415 N CB -0.002 38.472 38.487 -0.022 0.000 0.976 415 N HN 0.435 nan 8.380 nan 0.000 0.475 416 D N 0.711 121.144 120.400 0.055 0.000 2.608 416 D HA 0.099 4.740 4.640 0.003 0.000 0.224 416 D C -0.681 175.647 176.300 0.048 0.000 1.123 416 D CA 0.166 54.225 54.000 0.099 0.000 1.030 416 D CB -0.114 40.858 40.800 0.287 0.000 1.093 416 D HN -0.076 nan 8.370 nan 0.000 0.497 417 T N 0.613 115.128 114.554 -0.064 0.000 2.893 417 T HA 0.095 4.447 4.350 0.003 0.000 0.337 417 T C 0.191 174.796 174.700 -0.159 0.000 1.587 417 T CA -0.636 61.423 62.100 -0.068 0.000 1.066 417 T CB 0.822 69.688 68.868 -0.003 0.000 1.414 417 T HN 0.240 nan 8.240 nan 0.000 0.488 418 H N 1.836 120.861 119.070 -0.076 0.000 2.551 418 H HA 0.184 4.742 4.556 0.003 0.000 0.266 418 H C 0.151 175.376 175.328 -0.172 0.000 0.964 418 H CA 0.432 56.393 56.048 -0.145 0.000 1.180 418 H CB 0.184 29.819 29.762 -0.213 0.000 1.408 418 H HN 0.492 nan 8.280 nan 0.000 0.563 419 Y N -0.005 120.334 120.300 0.065 0.000 2.289 419 Y HA 0.369 4.921 4.550 0.003 0.000 0.332 419 Y C 1.340 177.232 175.900 -0.013 0.000 1.324 419 Y CA 0.048 58.163 58.100 0.025 0.000 1.478 419 Y CB 1.176 39.639 38.460 0.004 0.000 1.378 419 Y HN 0.063 nan 8.280 nan 0.000 0.558 420 G N 0.664 109.572 108.800 0.180 0.000 5.061 420 G HA2 0.175 4.137 3.960 0.003 0.000 0.213 420 G HA3 0.175 4.137 3.960 0.003 0.000 0.213 420 G C -0.570 174.310 174.900 -0.033 0.000 1.463 420 G CA -0.262 44.862 45.100 0.039 0.000 0.617 420 G HN 0.473 nan 8.290 nan 0.000 0.289 421 L N 0.863 122.058 121.223 -0.048 0.000 2.121 421 L HA 0.742 5.083 4.340 0.003 0.000 0.200 421 L C 1.383 178.090 176.870 -0.272 0.000 1.132 421 L CA 1.898 56.649 54.840 -0.147 0.000 0.782 421 L CB -0.565 41.444 42.059 -0.082 0.000 0.940 421 L HN 0.266 nan 8.230 nan 0.000 0.458 422 G N -1.243 107.453 108.800 -0.173 0.000 2.601 422 G HA2 0.592 4.553 3.960 0.003 0.000 0.317 422 G HA3 0.592 4.553 3.960 0.003 0.000 0.317 422 G C -1.412 173.452 174.900 -0.059 0.000 1.246 422 G CA 0.262 45.239 45.100 -0.205 0.000 1.012 422 G HN 0.688 nan 8.290 nan 0.000 0.494 423 S N -2.264 113.436 115.700 -0.000 0.000 2.586 423 S HA 0.722 5.194 4.470 0.003 0.000 0.277 423 S C -0.945 173.768 174.600 0.188 0.000 1.131 423 S CA -0.079 58.159 58.200 0.064 0.000 0.848 423 S CB 1.155 64.325 63.200 -0.051 0.000 1.091 423 S HN 2.217 nan 8.310 nan 0.000 0.453 424 A N 1.282 124.203 122.820 0.167 0.000 2.449 424 A HA 0.859 5.181 4.320 0.003 0.000 0.302 424 A C -1.052 176.584 177.584 0.087 0.000 1.048 424 A CA -0.827 51.313 52.037 0.170 0.000 0.708 424 A CB 1.798 20.903 19.000 0.176 0.000 1.274 424 A HN 1.614 nan 8.150 nan 0.000 0.410 425 V N 2.316 122.274 119.914 0.074 0.000 2.487 425 V HA 0.605 4.726 4.120 0.003 0.000 0.298 425 V C -0.561 175.577 176.094 0.073 0.000 1.028 425 V CA -0.595 61.763 62.300 0.097 0.000 0.860 425 V CB 1.517 33.396 31.823 0.093 0.000 0.991 425 V HN 0.846 nan 8.190 nan 0.000 0.427 426 M N 3.798 123.466 119.600 0.113 0.000 2.078 426 M HA 0.680 5.162 4.480 0.003 0.000 0.320 426 M C -0.385 176.002 176.300 0.146 0.000 0.969 426 M CA -0.052 55.290 55.300 0.070 0.000 0.929 426 M CB 0.948 33.566 32.600 0.030 0.000 1.504 426 M HN 0.745 nan 8.290 nan 0.000 0.419 427 S N 2.010 117.752 115.700 0.071 0.000 2.560 427 S HA 0.367 4.838 4.470 0.003 0.000 0.283 427 S C 0.143 174.731 174.600 -0.020 0.000 1.141 427 S CA -0.528 57.695 58.200 0.037 0.000 0.902 427 S CB 1.050 64.215 63.200 -0.058 0.000 1.104 427 S HN 0.698 nan 8.310 nan 0.000 0.454 428 N N 2.037 120.724 118.700 -0.021 0.000 2.396 428 N HA -0.007 4.735 4.740 0.003 0.000 0.180 428 N C 0.005 175.485 175.510 -0.050 0.000 1.028 428 N CA 0.663 53.698 53.050 -0.025 0.000 0.893 428 N CB -0.174 38.306 38.487 -0.012 0.000 0.967 428 N HN 0.698 nan 8.380 nan 0.000 0.440 429 D N 0.798 121.147 120.400 -0.084 0.000 2.383 429 D HA 0.070 4.712 4.640 0.003 0.000 0.245 429 D C 1.264 177.497 176.300 -0.112 0.000 1.263 429 D CA -0.039 53.898 54.000 -0.105 0.000 0.936 429 D CB 0.234 40.945 40.800 -0.148 0.000 1.053 429 D HN 0.047 nan 8.370 nan 0.000 0.507 430 L N 2.708 123.883 121.223 -0.080 0.000 2.083 430 L HA -0.157 4.184 4.340 0.003 0.000 0.209 430 L C 1.931 178.752 176.870 -0.081 0.000 1.083 430 L CA 0.946 55.743 54.840 -0.072 0.000 0.752 430 L CB -0.193 41.835 42.059 -0.052 0.000 0.899 430 L HN 0.343 nan 8.230 nan 0.000 0.433 431 E N -0.058 120.091 120.200 -0.084 0.000 2.085 431 E HA -0.234 4.117 4.350 0.003 0.000 0.194 431 E C 2.224 178.759 176.600 -0.109 0.000 0.994 431 E CA 1.039 57.389 56.400 -0.084 0.000 0.801 431 E CB -0.192 29.463 29.700 -0.076 0.000 0.743 431 E HN 0.270 nan 8.360 nan 0.000 0.453 432 R N 0.062 120.468 120.500 -0.156 0.000 2.075 432 R HA -0.123 4.218 4.340 0.003 0.000 0.232 432 R C 1.966 178.152 176.300 -0.191 0.000 1.126 432 R CA 1.556 57.519 56.100 -0.228 0.000 0.963 432 R CB -0.514 29.549 30.300 -0.396 0.000 0.858 432 R HN 0.280 nan 8.270 nan 0.000 0.435 433 C N 0.798 120.007 119.300 -0.150 0.000 2.432 433 C HA -0.096 4.365 4.460 0.003 0.000 0.277 433 C C 2.566 177.513 174.990 -0.071 0.000 1.249 433 C CA 1.203 60.168 59.018 -0.089 0.000 1.725 433 C CB -0.869 26.830 27.740 -0.069 0.000 2.028 433 C HN 0.653 nan 8.230 nan 0.000 0.477 434 E N 0.710 120.866 120.200 -0.074 0.000 2.070 434 E HA -0.276 4.075 4.350 0.003 0.000 0.197 434 E C 2.412 178.975 176.600 -0.062 0.000 1.004 434 E CA 1.323 57.684 56.400 -0.064 0.000 0.805 434 E CB -0.265 29.399 29.700 -0.060 0.000 0.744 434 E HN 0.517 nan 8.360 nan 0.000 0.451 435 R N -0.239 120.221 120.500 -0.067 0.000 2.081 435 R HA -0.137 4.204 4.340 0.003 0.000 0.235 435 R C 2.410 178.682 176.300 -0.046 0.000 1.131 435 R CA 1.237 57.302 56.100 -0.058 0.000 0.960 435 R CB -0.136 30.124 30.300 -0.065 0.000 0.856 435 R HN 0.230 nan 8.270 nan 0.000 0.436 436 L N 0.366 121.564 121.223 -0.042 0.000 2.109 436 L HA -0.123 4.218 4.340 0.003 0.000 0.207 436 L C 2.492 179.342 176.870 -0.034 0.000 1.086 436 L CA 1.658 56.488 54.840 -0.016 0.000 0.760 436 L CB -0.342 41.737 42.059 0.034 0.000 0.910 436 L HN 0.245 nan 8.230 nan 0.000 0.437 437 S N -0.947 114.723 115.700 -0.049 0.000 2.400 437 S HA -0.246 4.226 4.470 0.003 0.000 0.232 437 S C 1.993 176.547 174.600 -0.077 0.000 1.025 437 S CA 1.178 59.335 58.200 -0.071 0.000 0.993 437 S CB -0.381 62.771 63.200 -0.080 0.000 0.808 437 S HN 0.390 nan 8.310 nan 0.000 0.478 438 K N 1.312 121.674 120.400 -0.063 0.000 2.103 438 K HA 0.244 4.566 4.320 0.003 0.000 0.204 438 K C 2.396 178.964 176.600 -0.054 0.000 1.052 438 K CA 1.000 57.252 56.287 -0.059 0.000 0.945 438 K CB -0.339 32.132 32.500 -0.049 0.000 0.722 438 K HN 0.494 nan 8.250 nan 0.000 0.443 439 A N 0.879 123.671 122.820 -0.046 0.000 2.021 439 A HA 0.093 4.414 4.320 0.003 0.000 0.216 439 A C 0.791 178.348 177.584 -0.045 0.000 1.163 439 A CA 0.172 52.185 52.037 -0.039 0.000 0.676 439 A CB -0.177 18.806 19.000 -0.029 0.000 0.818 439 A HN 0.099 nan 8.150 nan 0.000 0.453 440 L N 1.090 122.281 121.223 -0.054 0.000 2.410 440 L HA 0.077 4.419 4.340 0.003 0.000 0.273 440 L C 0.062 176.888 176.870 -0.073 0.000 1.144 440 L CA -0.096 54.708 54.840 -0.061 0.000 0.863 440 L CB 0.574 42.592 42.059 -0.069 0.000 1.140 440 L HN 0.371 nan 8.230 nan 0.000 0.463 441 Q N 3.820 123.582 119.800 -0.063 0.000 2.681 441 Q HA 0.547 4.889 4.340 0.003 0.000 0.222 441 Q C -0.385 175.570 176.000 -0.075 0.000 1.258 441 Q CA -0.252 55.514 55.803 -0.063 0.000 1.014 441 Q CB 0.855 29.566 28.738 -0.045 0.000 1.384 441 Q HN 0.712 nan 8.270 nan 0.000 0.570 442 A N -0.080 122.672 122.820 -0.113 0.000 2.609 442 A HA 0.704 5.026 4.320 0.003 0.000 0.291 442 A C 0.662 178.118 177.584 -0.212 0.000 1.096 442 A CA -0.373 51.571 52.037 -0.155 0.000 0.684 442 A CB 0.928 19.817 19.000 -0.185 0.000 1.282 442 A HN 0.523 nan 8.150 nan 0.000 0.412 443 G N -0.515 108.122 108.800 -0.271 0.000 2.551 443 G HA2 0.365 4.327 3.960 0.003 0.000 0.216 443 G HA3 0.365 4.327 3.960 0.003 0.000 0.216 443 G C 0.224 174.845 174.900 -0.466 0.000 1.137 443 G CA 0.858 45.757 45.100 -0.334 0.000 0.798 443 G HN 0.560 nan 8.290 nan 0.000 0.536 444 I N 0.563 120.784 120.570 -0.582 0.000 2.499 444 I HA 0.365 4.536 4.170 0.003 0.000 0.288 444 I C -1.171 174.482 176.117 -0.773 0.000 1.048 444 I CA -0.836 59.978 61.300 -0.809 0.000 1.062 444 I CB 2.921 40.162 38.000 -1.266 0.000 1.238 444 I HN -0.300 nan 8.210 nan 0.000 0.426 445 V N 4.915 124.443 119.914 -0.644 0.000 2.409 445 V HA 0.380 4.501 4.120 0.003 0.000 0.291 445 V C -0.736 175.090 176.094 -0.446 0.000 1.020 445 V CA -0.559 61.475 62.300 -0.443 0.000 0.848 445 V CB 1.472 33.151 31.823 -0.240 0.000 0.990 445 V HN 0.580 nan 8.190 nan 0.000 0.430 446 W N 5.612 126.848 121.300 -0.106 0.000 2.351 446 W HA 0.610 5.271 4.660 0.003 0.000 0.311 446 W C -0.210 176.230 176.519 -0.133 0.000 1.168 446 W CA -0.766 56.509 57.345 -0.117 0.000 1.200 446 W CB 1.810 31.188 29.460 -0.136 0.000 1.221 446 W HN 0.582 nan 8.180 nan 0.000 0.519 447 I N 3.509 124.115 120.570 0.060 0.000 2.406 447 I HA 0.389 4.560 4.170 0.003 0.000 0.290 447 I C 0.438 176.496 176.117 -0.098 0.000 0.999 447 I CA -0.394 60.896 61.300 -0.016 0.000 1.124 447 I CB 1.223 39.206 38.000 -0.029 0.000 1.289 447 I HN 0.554 nan 8.210 nan 0.000 0.441 448 N N 3.715 122.335 118.700 -0.133 0.000 2.714 448 N HA -0.190 4.551 4.740 0.003 0.000 0.250 448 N C -0.482 174.660 175.510 -0.613 0.000 1.117 448 N CA 1.342 54.252 53.050 -0.233 0.000 0.719 448 N CB -1.588 36.822 38.487 -0.129 0.000 1.081 448 N HN 1.027 nan 8.380 nan 0.000 0.557 449 C N -4.188 114.665 119.300 -0.745 0.000 3.272 449 C HA 0.952 5.414 4.460 0.003 0.000 0.363 449 C C -1.072 173.455 174.990 -0.771 0.000 1.514 449 C CA -0.439 57.637 59.018 -1.570 0.000 1.185 449 C CB 1.614 28.333 27.740 -1.701 0.000 1.716 449 C HN 0.681 nan 8.230 nan 0.000 0.440 450 A N -0.029 122.330 122.820 -0.770 0.000 2.491 450 A HA 0.726 5.048 4.320 0.003 0.000 0.293 450 A C -0.230 176.876 177.584 -0.798 0.000 1.047 450 A CA 0.239 51.862 52.037 -0.690 0.000 0.735 450 A CB 1.108 19.968 19.000 -0.233 0.000 1.281 450 A HN 1.545 nan 8.150 nan 0.000 0.398 451 Q N -2.081 116.552 119.800 -1.945 0.000 4.421 451 Q HA -0.097 4.245 4.340 0.003 0.000 0.222 451 Q C -2.244 173.602 176.000 -0.256 0.000 0.800 451 Q CA 1.633 56.861 55.803 -0.958 0.000 0.996 451 Q CB -2.905 25.660 28.738 -0.287 0.000 0.725 451 Q HN 0.671 nan 8.270 nan 0.000 1.098 452 P HA 0.196 nan 4.420 nan 0.000 0.267 452 P C -0.465 176.893 177.300 0.096 0.000 1.205 452 P CA 0.539 63.592 63.100 -0.078 0.000 0.765 452 P CB 0.744 32.333 31.700 -0.185 0.000 0.828 453 S N 3.263 118.886 115.700 -0.129 0.000 2.475 453 S HA 0.390 4.862 4.470 0.003 0.000 0.249 453 S C -0.435 174.030 174.600 -0.224 0.000 1.298 453 S CA -0.404 57.760 58.200 -0.059 0.000 1.125 453 S CB -0.746 62.364 63.200 -0.149 0.000 1.054 453 S HN 0.211 nan 8.310 nan 0.000 0.484 454 F N 3.493 123.493 119.950 0.083 0.000 2.443 454 F HA 0.229 4.757 4.527 0.002 0.000 0.353 454 F C 1.881 177.584 175.800 -0.163 0.000 1.101 454 F CA -0.807 57.176 58.000 -0.028 0.000 1.226 454 F CB 0.529 39.521 39.000 -0.015 0.000 1.140 454 F HN 0.431 nan 8.300 nan 0.000 0.557 455 I N 0.331 120.843 120.570 -0.097 0.000 2.614 455 I HA -0.188 3.983 4.170 0.003 0.000 0.258 455 I C 1.296 177.075 176.117 -0.564 0.000 1.189 455 I CA 1.341 62.410 61.300 -0.385 0.000 1.462 455 I CB -0.779 36.948 38.000 -0.456 0.000 1.092 455 I HN 0.625 nan 8.210 nan 0.000 0.442 456 Q N 2.119 121.676 119.800 -0.404 0.000 2.369 456 Q HA 0.295 4.637 4.340 0.003 0.000 0.206 456 Q C 0.871 176.858 176.000 -0.021 0.000 0.963 456 Q CA 1.090 56.730 55.803 -0.271 0.000 0.894 456 Q CB -0.173 28.489 28.738 -0.128 0.000 0.965 456 Q HN 0.720 nan 8.270 nan 0.000 0.475 457 A N 1.608 124.427 122.820 -0.002 0.000 2.317 457 A HA 0.550 4.872 4.320 0.003 0.000 0.327 457 A C -2.478 175.089 177.584 -0.028 0.000 1.178 457 A CA -1.959 50.089 52.037 0.018 0.000 0.817 457 A CB 0.499 19.531 19.000 0.054 0.000 1.189 457 A HN -0.061 nan 8.150 nan 0.000 0.489 458 P HA 0.014 nan 4.420 nan 0.000 0.265 458 P C -0.840 176.367 177.300 -0.156 0.000 1.193 458 P CA 0.241 63.174 63.100 -0.279 0.000 0.765 458 P CB 0.500 31.612 31.700 -0.980 0.000 0.823 459 W N 3.748 124.889 121.300 -0.266 0.000 2.683 459 W HA 0.565 5.227 4.660 0.003 0.000 0.329 459 W C -0.865 175.572 176.519 -0.137 0.000 1.037 459 W CA 0.064 57.280 57.345 -0.215 0.000 1.232 459 W CB 2.547 31.846 29.460 -0.268 0.000 1.390 459 W HN 0.717 nan 8.180 nan 0.000 0.465 460 G N 1.892 110.457 108.800 -0.392 0.000 2.325 460 G HA2 0.421 4.382 3.960 0.003 0.000 0.297 460 G HA3 0.421 4.382 3.960 0.003 0.000 0.297 460 G C -1.342 173.391 174.900 -0.277 0.000 1.448 460 G CA -0.240 44.745 45.100 -0.192 0.000 0.838 460 G HN 0.699 nan 8.290 nan 0.000 0.579 461 G N -1.180 107.541 108.800 -0.131 0.000 2.521 461 G HA2 0.859 4.821 3.960 0.003 0.000 0.323 461 G HA3 0.859 4.821 3.960 0.003 0.000 0.323 461 G C 0.047 174.927 174.900 -0.034 0.000 1.211 461 G CA -0.239 44.799 45.100 -0.102 0.000 0.979 461 G HN 1.460 nan 8.290 nan 0.000 0.490 462 I N -3.269 117.290 120.570 -0.018 0.000 3.264 462 I HA 0.802 4.974 4.170 0.003 0.000 0.309 462 I C 0.311 176.465 176.117 0.062 0.000 1.099 462 I CA -1.112 60.205 61.300 0.028 0.000 0.989 462 I CB 1.823 39.817 38.000 -0.010 0.000 1.250 462 I HN 0.695 nan 8.210 nan 0.000 0.478 463 K N 0.160 120.603 120.400 0.073 0.000 1.987 463 K HA -0.204 4.118 4.320 0.003 0.000 0.206 463 K C 0.861 177.521 176.600 0.100 0.000 1.587 463 K CA 1.565 57.898 56.287 0.078 0.000 0.589 463 K CB -0.808 31.727 32.500 0.058 0.000 0.682 463 K HN 0.653 nan 8.250 nan 0.000 0.876 464 R N 0.896 121.435 120.500 0.064 0.000 2.339 464 R HA 0.022 4.364 4.340 0.003 0.000 0.199 464 R C 1.611 178.009 176.300 0.163 0.000 1.018 464 R CA 0.922 57.044 56.100 0.037 0.000 1.036 464 R CB -0.170 30.032 30.300 -0.163 0.000 0.899 464 R HN 0.319 nan 8.270 nan 0.000 0.473 465 S N 0.094 115.927 115.700 0.221 0.000 2.522 465 S HA 0.115 4.587 4.470 0.003 0.000 0.227 465 S C 1.124 175.782 174.600 0.097 0.000 0.986 465 S CA 0.673 59.000 58.200 0.211 0.000 0.929 465 S CB 0.300 63.589 63.200 0.147 0.000 0.769 465 S HN 0.716 nan 8.310 nan 0.000 0.529 466 G N 0.920 109.770 108.800 0.084 0.000 2.337 466 G HA2 0.126 4.088 3.960 0.003 0.000 0.197 466 G HA3 0.126 4.088 3.960 0.003 0.000 0.197 466 G C -1.039 173.914 174.900 0.088 0.000 1.238 466 G CA -0.473 44.609 45.100 -0.031 0.000 1.119 466 G HN 0.700 nan 8.290 nan 0.000 0.514 467 F N -2.337 117.644 119.950 0.052 0.000 2.741 467 F HA 0.772 5.300 4.527 0.003 0.000 0.311 467 F C 0.402 176.226 175.800 0.039 0.000 1.149 467 F CA -0.105 57.912 58.000 0.029 0.000 0.930 467 F CB 1.201 40.215 39.000 0.024 0.000 1.312 467 F HN 2.512 nan 8.300 nan 0.000 0.450 468 G N 1.529 110.501 108.800 0.287 0.000 2.692 468 G HA2 0.298 4.260 3.960 0.003 0.000 0.686 468 G HA3 0.298 4.260 3.960 0.003 0.000 0.686 468 G C -1.911 173.047 174.900 0.097 0.000 1.243 468 G CA -1.262 43.943 45.100 0.173 0.000 0.782 468 G HN 0.802 nan 8.290 nan 0.000 0.625 469 R N 0.934 121.497 120.500 0.104 0.000 2.561 469 R HA 0.498 4.839 4.340 0.003 0.000 0.297 469 R C 0.150 176.533 176.300 0.139 0.000 0.969 469 R CA -0.659 55.492 56.100 0.086 0.000 0.879 469 R CB 1.828 32.139 30.300 0.017 0.000 1.178 469 R HN 0.778 nan 8.270 nan 0.000 0.445 470 E N 2.319 122.601 120.200 0.137 0.000 2.259 470 E HA 0.553 4.905 4.350 0.003 0.000 0.257 470 E C 0.062 176.696 176.600 0.056 0.000 0.998 470 E CA -1.016 55.453 56.400 0.116 0.000 0.866 470 E CB 1.347 31.110 29.700 0.105 0.000 1.220 470 E HN 0.281 nan 8.360 nan 0.000 0.415 471 L N -0.896 120.329 121.223 0.003 0.000 0.587 471 L HA -0.316 4.025 4.340 0.003 0.000 0.356 471 L C 0.865 177.881 176.870 0.243 0.000 0.981 471 L CA 0.811 55.641 54.840 -0.016 0.000 1.223 471 L CB -1.575 40.273 42.059 -0.351 0.000 0.020 471 L HN 1.043 nan 8.230 nan 0.000 0.091 472 G N 0.590 109.489 108.800 0.166 0.000 2.578 472 G HA2 -0.299 3.663 3.960 0.003 0.000 0.284 472 G HA3 -0.299 3.663 3.960 0.003 0.000 0.284 472 G C 0.524 175.725 174.900 0.502 0.000 1.283 472 G CA 0.731 46.031 45.100 0.333 0.000 0.944 472 G HN 0.915 nan 8.290 nan 0.000 0.558 473 E N -0.493 119.934 120.200 0.377 0.000 2.285 473 E HA -0.029 4.323 4.350 0.003 0.000 0.194 473 E C 2.119 178.779 176.600 0.101 0.000 0.997 473 E CA 0.837 57.324 56.400 0.146 0.000 0.845 473 E CB 0.057 29.681 29.700 -0.127 0.000 0.782 473 E HN 0.602 nan 8.360 nan 0.000 0.491 474 W N 1.119 122.499 121.300 0.132 0.000 2.338 474 W HA -0.087 4.574 4.660 0.002 0.000 0.304 474 W C 2.385 178.962 176.519 0.097 0.000 1.212 474 W CA 1.264 58.662 57.345 0.088 0.000 1.264 474 W CB -0.664 28.830 29.460 0.056 0.000 1.142 474 W HN 0.200 nan 8.180 nan 0.000 0.512 475 G N 0.667 109.705 108.800 0.396 0.000 2.440 475 G HA2 -0.261 3.700 3.960 0.003 0.000 0.218 475 G HA3 -0.261 3.700 3.960 0.003 0.000 0.218 475 G C 1.580 176.626 174.900 0.244 0.000 1.154 475 G CA 0.721 45.994 45.100 0.287 0.000 0.767 475 G HN 0.154 nan 8.290 nan 0.000 0.552 476 L N -0.044 121.351 121.223 0.287 0.000 2.056 476 L HA -0.026 4.316 4.340 0.003 0.000 0.207 476 L C 2.814 179.782 176.870 0.163 0.000 1.078 476 L CA 1.895 56.869 54.840 0.224 0.000 0.749 476 L CB -0.238 41.962 42.059 0.236 0.000 0.901 476 L HN 0.263 nan 8.230 nan 0.000 0.433 477 E N 0.306 120.560 120.200 0.090 0.000 2.204 477 E HA -0.254 4.097 4.350 0.003 0.000 0.195 477 E C 1.734 178.331 176.600 -0.005 0.000 0.990 477 E CA 1.005 57.419 56.400 0.024 0.000 0.821 477 E CB -0.148 29.528 29.700 -0.040 0.000 0.750 477 E HN 0.340 nan 8.360 nan 0.000 0.477 478 N N -0.991 117.668 118.700 -0.067 0.000 2.272 478 N HA -0.166 4.576 4.740 0.003 0.000 0.185 478 N C 0.330 175.554 175.510 -0.476 0.000 1.014 478 N CA 1.080 53.946 53.050 -0.307 0.000 0.870 478 N CB -0.043 38.138 38.487 -0.509 0.000 0.975 478 N HN 0.300 nan 8.380 nan 0.000 0.433 479 Y N -1.041 119.291 120.300 0.053 0.000 2.584 479 Y HA 0.400 4.952 4.550 0.003 0.000 0.254 479 Y C -0.142 175.785 175.900 0.044 0.000 1.177 479 Y CA -0.441 57.688 58.100 0.048 0.000 1.216 479 Y CB 0.549 39.030 38.460 0.036 0.000 1.172 479 Y HN -0.113 nan 8.280 nan 0.000 0.529 480 L N 0.242 121.532 121.223 0.113 0.000 2.333 480 L HA 0.596 4.937 4.340 0.003 0.000 0.269 480 L C -0.017 176.882 176.870 0.049 0.000 1.010 480 L CA -0.990 53.898 54.840 0.080 0.000 0.818 480 L CB 2.054 44.148 42.059 0.058 0.000 1.306 480 L HN -0.031 nan 8.230 nan 0.000 0.430 481 S N 0.690 116.417 115.700 0.045 0.000 2.532 481 S HA 0.707 5.178 4.470 0.003 0.000 0.301 481 S C -0.711 173.903 174.600 0.024 0.000 1.083 481 S CA -0.784 57.435 58.200 0.031 0.000 1.025 481 S CB 1.903 65.124 63.200 0.034 0.000 1.056 481 S HN 0.222 nan 8.310 nan 0.000 0.494 482 V N 2.921 122.844 119.914 0.015 0.000 2.461 482 V HA 0.448 4.569 4.120 0.003 0.000 0.275 482 V C 0.317 176.416 176.094 0.009 0.000 1.047 482 V CA -0.464 61.843 62.300 0.011 0.000 0.955 482 V CB 0.867 32.691 31.823 0.003 0.000 0.988 482 V HN 0.956 nan 8.190 nan 0.000 0.471 483 K N 4.746 125.154 120.400 0.014 0.000 2.307 483 K HA 0.375 4.697 4.320 0.003 0.000 0.263 483 K C -0.366 176.227 176.600 -0.012 0.000 0.973 483 K CA -0.550 55.739 56.287 0.003 0.000 0.846 483 K CB 1.348 33.857 32.500 0.015 0.000 1.100 483 K HN 0.795 nan 8.250 nan 0.000 0.438 484 Q N 3.886 123.662 119.800 -0.041 0.000 2.279 484 Q HA 0.219 4.560 4.340 0.003 0.000 0.256 484 Q C -1.279 174.636 176.000 -0.141 0.000 0.937 484 Q CA -0.561 55.195 55.803 -0.078 0.000 0.933 484 Q CB 1.217 29.912 28.738 -0.072 0.000 1.189 484 Q HN 0.402 nan 8.270 nan 0.000 0.417 485 V N 4.477 124.227 119.914 -0.274 0.000 2.350 485 V HA 0.353 4.475 4.120 0.003 0.000 0.285 485 V C -0.414 175.423 176.094 -0.429 0.000 1.014 485 V CA -0.526 61.523 62.300 -0.419 0.000 0.831 485 V CB 1.569 32.954 31.823 -0.730 0.000 1.000 485 V HN 0.807 nan 8.190 nan 0.000 0.433 486 T N 5.687 120.111 114.554 -0.217 0.000 2.824 486 T HA 0.587 4.939 4.350 0.003 0.000 0.282 486 T C -0.395 174.309 174.700 0.006 0.000 0.993 486 T CA -0.564 61.479 62.100 -0.095 0.000 0.967 486 T CB 1.642 70.473 68.868 -0.063 0.000 0.960 486 T HN 0.655 nan 8.240 nan 0.000 0.441 487 R N 2.168 122.721 120.500 0.088 0.000 2.561 487 R HA 0.382 4.724 4.340 0.003 0.000 0.297 487 R C -1.603 174.783 176.300 0.143 0.000 0.969 487 R CA -0.791 55.369 56.100 0.099 0.000 0.879 487 R CB 1.129 31.450 30.300 0.034 0.000 1.178 487 R HN 0.639 nan 8.270 nan 0.000 0.445 488 Y N 3.926 124.152 120.300 -0.123 0.000 2.486 488 Y HA 0.065 4.617 4.550 0.003 0.000 0.348 488 Y C 0.953 176.678 175.900 -0.290 0.000 1.000 488 Y CA 0.437 58.248 58.100 -0.482 0.000 1.253 488 Y CB 1.172 39.366 38.460 -0.444 0.000 1.140 488 Y HN 0.747 nan 8.280 nan 0.000 0.526 489 T N 0.090 114.310 114.554 -0.557 0.000 3.044 489 T HA 0.098 4.450 4.350 0.003 0.000 0.250 489 T C 0.881 175.275 174.700 -0.510 0.000 1.081 489 T CA 0.244 62.114 62.100 -0.383 0.000 1.040 489 T CB -0.143 68.599 68.868 -0.210 0.000 0.962 489 T HN 0.480 nan 8.240 nan 0.000 0.506 490 S N 1.398 116.529 115.700 -0.948 0.000 2.576 490 S HA 0.139 4.610 4.470 0.003 0.000 0.276 490 S C 0.461 174.749 174.600 -0.520 0.000 1.339 490 S CA -0.380 57.373 58.200 -0.746 0.000 1.039 490 S CB 0.512 63.212 63.200 -0.832 0.000 0.902 490 S HN 0.449 nan 8.310 nan 0.000 0.516 491 D N 1.558 121.824 120.400 -0.223 0.000 2.305 491 D HA 0.125 4.767 4.640 0.003 0.000 0.206 491 D C 0.368 176.680 176.300 0.020 0.000 0.974 491 D CA 0.219 54.171 54.000 -0.080 0.000 0.871 491 D CB -0.073 40.697 40.800 -0.049 0.000 0.947 491 D HN 0.468 nan 8.370 nan 0.000 0.516 492 E N 1.029 121.255 120.200 0.043 0.000 2.404 492 E HA 0.201 4.553 4.350 0.003 0.000 0.261 492 E C -2.221 174.544 176.600 0.276 0.000 1.074 492 E CA -1.519 54.968 56.400 0.144 0.000 0.917 492 E CB 0.374 30.162 29.700 0.148 0.000 0.965 492 E HN -0.028 nan 8.360 nan 0.000 0.433 493 P HA -0.021 nan 4.420 nan 0.000 0.274 493 P C 0.133 177.627 177.300 0.324 0.000 1.231 493 P CA -0.211 63.039 63.100 0.249 0.000 0.790 493 P CB 0.412 32.211 31.700 0.165 0.000 0.951 494 W N 3.014 124.360 121.300 0.076 0.000 2.338 494 W HA -0.168 4.494 4.660 0.003 0.000 0.304 494 W C 0.949 177.536 176.519 0.113 0.000 1.212 494 W CA 1.413 58.780 57.345 0.036 0.000 1.264 494 W CB -0.289 29.155 29.460 -0.026 0.000 1.142 494 W HN 0.683 nan 8.180 nan 0.000 0.512 495 G N -0.188 108.672 108.800 0.099 0.000 2.147 495 G HA2 -0.366 3.596 3.960 0.003 0.000 0.244 495 G HA3 -0.366 3.596 3.960 0.003 0.000 0.244 495 G C 0.384 175.210 174.900 -0.124 0.000 1.005 495 G CA 0.247 45.329 45.100 -0.030 0.000 0.713 495 G HN 0.591 nan 8.290 nan 0.000 0.515 496 W N -0.348 120.740 121.300 -0.353 0.000 2.488 496 W HA 0.225 4.887 4.660 0.003 0.000 0.304 496 W C 0.492 176.829 176.519 -0.303 0.000 1.175 496 W CA 0.969 58.057 57.345 -0.429 0.000 1.365 496 W CB 0.218 29.360 29.460 -0.530 0.000 1.131 496 W HN 0.184 nan 8.180 nan 0.000 0.520 497 Y N 2.189 122.489 120.300 0.000 0.000 2.316 497 Y HA 0.149 4.701 4.550 0.003 0.000 0.324 497 Y C 0.686 176.538 175.900 -0.080 0.000 1.267 497 Y CA -0.259 57.789 58.100 -0.086 0.000 1.311 497 Y CB 0.185 38.693 38.460 0.079 0.000 1.267 497 Y HN -0.160 nan 8.280 nan 0.000 0.516 498 Q N 3.127 122.980 119.800 0.088 0.000 2.286 498 Q HA 0.203 4.545 4.340 0.003 0.000 0.267 498 Q C -2.227 173.810 176.000 0.060 0.000 1.028 498 Q CA -1.629 54.193 55.803 0.033 0.000 0.901 498 Q CB 0.146 28.884 28.738 -0.001 0.000 1.183 498 Q HN 0.385 nan 8.270 nan 0.000 0.392 499 P HA 0.142 nan 4.420 nan 0.000 0.271 499 P C -2.258 175.057 177.300 0.025 0.000 1.216 499 P CA -0.960 62.168 63.100 0.046 0.000 0.771 499 P CB -0.256 31.470 31.700 0.042 0.000 0.864 500 P HA 0.016 nan 4.420 nan 0.000 0.267 500 P C -0.835 176.470 177.300 0.009 0.000 1.209 500 P CA -0.008 63.097 63.100 0.009 0.000 0.763 500 P CB 0.723 32.426 31.700 0.005 0.000 0.816 501 S N 0.000 115.703 115.700 0.005 0.000 2.498 501 S HA 0.000 4.472 4.470 0.003 0.000 0.327 501 S CA 0.000 58.202 58.200 0.004 0.000 1.107 501 S CB 0.000 63.200 63.200 0.000 0.000 0.593 501 S HN 0.000 nan 8.310 nan 0.000 0.517