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 3nx3_1_B DATA FIRST_RESID 16 DATA SEQUENCE KRFDIVLEKG QGVYLFDDKA KKYLDFSSGI GVCALGYNHA KFNAKIKAQV DATA SEQUENCE DKLLHTSNLY YNENIAAAAK NLAKASALER VFFTNSGTES IEGAXKTARK DATA SEQUENCE YAFNKGVKGG QFIAFKHSFH GRTLGALSLT ANEKYQKPFK PLISGVKFAK DATA SEQUENCE YNDISSVEKL VNEKTCAIIL ESVQGEGGIN PANKDFYKAL RKLCDEKDIL DATA SEQUENCE LIADEIQCGX GRSGKFFAYE HAQILPDIXT SAKALGCGLS VGAFVINQKV DATA SEQUENCE ASNSLEAGDH GSTYGGNPLV CAGVNAVFEI FKEEKILENV NKLTPYLEQS DATA SEQUENCE LDELINEFDF CKKRKGLGFX QGLSLDKSVK VAKVIQKCQE NALLLISCGE DATA SEQUENCE NDLRFLPPLI LQKEHIDEXS EKLRKALKSF 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 16 K HA 0.000 nan 4.320 nan 0.000 0.191 16 K C 0.000 176.435 176.600 -0.275 0.000 0.988 16 K CA 0.000 56.173 56.287 -0.189 0.000 0.838 16 K CB 0.000 32.372 32.500 -0.213 0.000 1.064 17 R N 1.162 121.492 120.500 -0.283 0.000 2.535 17 R HA 0.707 5.377 4.340 0.550 0.000 0.274 17 R C -1.416 174.748 176.300 -0.227 0.000 1.090 17 R CA -0.619 55.291 56.100 -0.318 0.000 0.930 17 R CB 0.843 31.052 30.300 -0.152 0.000 1.223 17 R HN 0.520 nan 8.270 nan 0.000 0.441 18 F N 2.111 122.038 119.950 -0.039 0.000 2.410 18 F HA 0.128 4.983 4.527 0.548 0.000 0.334 18 F C 1.208 176.987 175.800 -0.034 0.000 1.134 18 F CA -0.684 57.292 58.000 -0.041 0.000 1.227 18 F CB 0.610 39.573 39.000 -0.063 0.000 1.194 18 F HN 0.492 nan 8.300 nan 0.000 0.571 19 D N 1.933 122.442 120.400 0.183 0.000 2.994 19 D HA 0.164 5.134 4.640 0.550 0.000 0.240 19 D C -0.285 176.062 176.300 0.078 0.000 1.195 19 D CA 0.428 54.484 54.000 0.095 0.000 0.957 19 D CB -0.610 40.233 40.800 0.070 0.000 1.105 19 D HN 0.355 nan 8.370 nan 0.000 0.477 20 I N 0.092 120.708 120.570 0.077 0.000 2.534 20 I HA 0.171 4.671 4.170 0.550 0.000 0.288 20 I C -0.610 175.519 176.117 0.020 0.000 1.077 20 I CA -1.298 60.020 61.300 0.029 0.000 1.051 20 I CB 2.627 40.590 38.000 -0.060 0.000 1.234 20 I HN -0.203 nan 8.210 nan 0.000 0.425 21 V N 7.017 126.947 119.914 0.026 0.000 2.348 21 V HA 0.341 4.791 4.120 0.550 0.000 0.270 21 V C 0.240 176.346 176.094 0.021 0.000 1.037 21 V CA -0.442 61.872 62.300 0.024 0.000 0.872 21 V CB 1.073 32.917 31.823 0.034 0.000 1.002 21 V HN 0.472 nan 8.190 nan 0.000 0.464 22 L N 4.047 125.271 121.223 0.001 0.000 2.326 22 L HA 0.401 5.071 4.340 0.550 0.000 0.278 22 L C 1.155 178.041 176.870 0.027 0.000 1.092 22 L CA 0.133 54.972 54.840 -0.003 0.000 0.810 22 L CB 1.461 43.490 42.059 -0.050 0.000 1.153 22 L HN 0.746 nan 8.230 nan 0.000 0.439 23 E N 2.809 123.044 120.200 0.058 0.000 2.306 23 E HA 0.102 4.782 4.350 0.550 0.000 0.201 23 E C -0.137 176.500 176.600 0.062 0.000 0.874 23 E CA 0.083 56.519 56.400 0.060 0.000 0.972 23 E CB 0.764 30.505 29.700 0.069 0.000 0.957 23 E HN 0.647 nan 8.360 nan 0.000 0.492 24 K N -1.398 119.062 120.400 0.100 0.000 2.556 24 K HA 0.662 5.312 4.320 0.550 0.000 0.289 24 K C -0.807 175.909 176.600 0.193 0.000 1.040 24 K CA -0.950 55.402 56.287 0.107 0.000 0.894 24 K CB 1.600 34.137 32.500 0.061 0.000 1.547 24 K HN 0.052 nan 8.250 nan 0.000 0.417 25 G N -0.177 108.748 108.800 0.208 0.000 2.692 25 G HA2 0.512 4.802 3.960 0.550 0.000 0.291 25 G HA3 0.512 4.802 3.960 0.550 0.000 0.291 25 G C -2.069 173.075 174.900 0.405 0.000 1.423 25 G CA -0.422 44.847 45.100 0.282 0.000 0.843 25 G HN 0.449 nan 8.290 nan 0.000 0.486 26 Q N -0.383 119.721 119.800 0.507 0.000 2.280 26 Q HA 0.560 5.230 4.340 0.550 0.000 0.259 26 Q C 0.486 176.729 176.000 0.404 0.000 0.964 26 Q CA 0.972 57.024 55.803 0.414 0.000 0.844 26 Q CB 1.390 30.344 28.738 0.360 0.000 1.334 26 Q HN 2.207 nan 8.270 nan 0.000 0.423 27 G N 1.643 110.619 108.800 0.294 0.000 2.561 27 G HA2 -0.314 3.976 3.960 0.550 0.000 0.289 27 G HA3 -0.314 3.976 3.960 0.550 0.000 0.289 27 G C 0.531 175.501 174.900 0.117 0.000 1.169 27 G CA 0.952 46.163 45.100 0.185 0.000 0.980 27 G HN 1.509 nan 8.290 nan 0.000 0.550 28 V N -2.019 117.821 119.914 -0.123 0.000 3.633 28 V HA 0.593 5.043 4.120 0.550 0.000 0.283 28 V C 0.549 176.427 176.094 -0.361 0.000 1.305 28 V CA 0.453 62.558 62.300 -0.324 0.000 1.153 28 V CB -0.802 30.587 31.823 -0.723 0.000 0.950 28 V HN 0.633 nan 8.190 nan 0.000 0.432 29 Y N 0.220 120.572 120.300 0.086 0.000 2.387 29 Y HA 0.775 5.655 4.550 0.551 0.000 0.336 29 Y C -0.020 175.800 175.900 -0.133 0.000 1.067 29 Y CA -1.059 57.003 58.100 -0.063 0.000 1.114 29 Y CB 1.710 40.073 38.460 -0.161 0.000 1.208 29 Y HN 0.047 nan 8.280 nan 0.000 0.458 30 L N 3.015 124.159 121.223 -0.132 0.000 2.333 30 L HA 0.603 5.273 4.340 0.550 0.000 0.269 30 L C -1.315 175.400 176.870 -0.259 0.000 1.010 30 L CA -0.724 53.994 54.840 -0.203 0.000 0.818 30 L CB 1.611 43.511 42.059 -0.266 0.000 1.306 30 L HN 0.488 nan 8.230 nan 0.000 0.430 31 F N 0.118 120.114 119.950 0.076 0.000 2.520 31 F HA 0.321 5.179 4.527 0.551 0.000 0.322 31 F C 0.143 176.010 175.800 0.112 0.000 1.103 31 F CA -0.980 57.102 58.000 0.136 0.000 0.926 31 F CB 1.588 40.632 39.000 0.073 0.000 1.154 31 F HN 0.476 nan 8.300 nan 0.000 0.453 32 D N 0.055 120.664 120.400 0.347 0.000 2.478 32 D HA 0.072 5.042 4.640 0.550 0.000 0.269 32 D C 0.642 177.046 176.300 0.173 0.000 1.232 32 D CA -0.475 53.657 54.000 0.221 0.000 1.059 32 D CB 0.366 41.317 40.800 0.252 0.000 1.104 32 D HN 0.545 nan 8.370 nan 0.000 0.566 33 D N -1.414 119.056 120.400 0.116 0.000 2.363 33 D HA -0.111 4.859 4.640 0.550 0.000 0.226 33 D C 0.502 176.848 176.300 0.077 0.000 1.020 33 D CA 0.547 54.596 54.000 0.082 0.000 0.892 33 D CB -0.227 40.607 40.800 0.058 0.000 0.900 33 D HN 0.432 nan 8.370 nan 0.000 0.531 34 K N -0.319 120.140 120.400 0.098 0.000 2.414 34 K HA 0.477 5.127 4.320 0.550 0.000 0.204 34 K C 0.446 177.099 176.600 0.088 0.000 1.026 34 K CA 0.269 56.602 56.287 0.076 0.000 1.108 34 K CB 0.808 33.347 32.500 0.067 0.000 0.855 34 K HN 0.097 nan 8.250 nan 0.000 0.517 35 A N 1.842 124.741 122.820 0.131 0.000 2.887 35 A HA -0.249 4.401 4.320 0.550 0.000 0.257 35 A C 0.272 177.987 177.584 0.219 0.000 1.372 35 A CA 1.220 53.362 52.037 0.176 0.000 0.879 35 A CB -1.863 17.186 19.000 0.082 0.000 1.082 35 A HN 0.413 nan 8.150 nan 0.000 0.703 36 K N 0.382 120.873 120.400 0.153 0.000 2.298 36 K HA 0.347 4.997 4.320 0.550 0.000 0.280 36 K C 0.150 176.703 176.600 -0.077 0.000 1.032 36 K CA -0.120 56.157 56.287 -0.017 0.000 0.958 36 K CB 0.382 32.794 32.500 -0.146 0.000 0.978 36 K HN 0.393 nan 8.250 nan 0.000 0.472 37 K N 4.257 124.500 120.400 -0.261 0.000 2.211 37 K HA 0.168 4.818 4.320 0.550 0.000 0.275 37 K C -1.515 174.826 176.600 -0.433 0.000 1.024 37 K CA -0.489 55.509 56.287 -0.482 0.000 0.887 37 K CB 0.544 32.791 32.500 -0.421 0.000 1.084 37 K HN 0.477 nan 8.250 nan 0.000 0.463 38 Y N 2.958 123.109 120.300 -0.248 0.000 2.429 38 Y HA 0.286 5.166 4.550 0.550 0.000 0.342 38 Y C -0.231 175.702 175.900 0.055 0.000 1.004 38 Y CA -1.394 56.662 58.100 -0.074 0.000 1.075 38 Y CB 1.484 39.891 38.460 -0.088 0.000 1.214 38 Y HN 0.431 nan 8.280 nan 0.000 0.455 39 L N 3.244 124.624 121.223 0.261 0.000 2.319 39 L HA 0.287 4.957 4.340 0.550 0.000 0.280 39 L C -0.494 176.436 176.870 0.101 0.000 1.099 39 L CA -0.084 54.835 54.840 0.133 0.000 0.828 39 L CB 0.340 42.492 42.059 0.155 0.000 1.150 39 L HN 0.614 nan 8.230 nan 0.000 0.442 40 D N 3.775 124.183 120.400 0.013 0.000 2.347 40 D HA 0.127 5.097 4.640 0.550 0.000 0.235 40 D C -0.189 176.157 176.300 0.077 0.000 1.149 40 D CA 0.182 54.222 54.000 0.066 0.000 0.850 40 D CB 0.359 41.228 40.800 0.116 0.000 1.061 40 D HN 0.497 nan 8.370 nan 0.000 0.487 41 F N 2.103 122.033 119.950 -0.033 0.000 2.654 41 F HA 0.206 5.062 4.527 0.547 0.000 0.303 41 F C 1.432 177.222 175.800 -0.017 0.000 1.099 41 F CA -0.026 57.957 58.000 -0.027 0.000 1.270 41 F CB 0.659 39.663 39.000 0.007 0.000 1.024 41 F HN 0.318 nan 8.300 nan 0.000 0.548 42 S N -1.447 114.290 115.700 0.062 0.000 2.549 42 S HA -0.002 4.798 4.470 0.550 0.000 0.225 42 S C 1.225 175.846 174.600 0.035 0.000 1.039 42 S CA 0.517 58.743 58.200 0.044 0.000 0.942 42 S CB 0.091 63.325 63.200 0.057 0.000 0.881 42 S HN 0.328 nan 8.310 nan 0.000 0.503 43 S N 1.123 116.851 115.700 0.046 0.000 3.533 43 S HA -0.149 4.651 4.470 0.550 0.000 0.347 43 S C 1.031 175.689 174.600 0.097 0.000 1.101 43 S CA 0.949 59.181 58.200 0.053 0.000 1.009 43 S CB -2.571 60.604 63.200 -0.042 0.000 0.916 43 S HN 1.858 nan 8.310 nan 0.000 0.496 44 G N 0.875 109.754 108.800 0.132 0.000 2.246 44 G HA2 -0.172 4.118 3.960 0.550 0.000 0.273 44 G HA3 -0.172 4.118 3.960 0.550 0.000 0.273 44 G C 0.397 175.342 174.900 0.074 0.000 1.055 44 G CA -0.044 45.125 45.100 0.115 0.000 0.851 44 G HN 2.040 nan 8.290 nan 0.000 0.500 45 I N -2.895 117.711 120.570 0.060 0.000 6.296 45 I HA -0.214 4.286 4.170 0.550 0.000 0.126 45 I C 1.598 177.744 176.117 0.049 0.000 1.823 45 I CA 0.945 62.272 61.300 0.045 0.000 2.040 45 I CB -1.588 36.431 38.000 0.031 0.000 3.466 45 I HN 2.009 nan 8.210 nan 0.000 0.170 46 G N 0.426 109.251 108.800 0.042 0.000 2.143 46 G HA2 -0.245 4.045 3.960 0.550 0.000 0.248 46 G HA3 -0.245 4.045 3.960 0.550 0.000 0.248 46 G C 0.428 175.348 174.900 0.034 0.000 0.991 46 G CA 0.199 45.322 45.100 0.040 0.000 0.689 46 G HN 0.504 nan 8.290 nan 0.000 0.522 47 V N -0.611 119.320 119.914 0.028 0.000 2.581 47 V HA 0.054 4.504 4.120 0.550 0.000 0.240 47 V C 2.026 178.101 176.094 -0.032 0.000 1.054 47 V CA 1.504 63.817 62.300 0.021 0.000 1.076 47 V CB 0.422 32.276 31.823 0.051 0.000 0.748 47 V HN 0.511 nan 8.190 nan 0.000 0.474 48 C N 2.328 121.590 119.300 -0.064 0.000 2.615 48 C HA 0.537 5.327 4.460 0.550 0.000 0.503 48 C C 2.107 176.957 174.990 -0.234 0.000 1.039 48 C CA -0.251 58.651 59.018 -0.194 0.000 1.226 48 C CB -1.338 26.192 27.740 -0.350 0.000 1.447 48 C HN 0.552 nan 8.230 nan 0.000 0.572 49 A N 1.720 124.445 122.820 -0.158 0.000 1.972 49 A HA -0.076 4.574 4.320 0.550 0.000 0.219 49 A C 1.707 179.192 177.584 -0.166 0.000 1.169 49 A CA 1.369 53.340 52.037 -0.109 0.000 0.635 49 A CB -0.183 18.835 19.000 0.030 0.000 0.810 49 A HN 0.784 nan 8.150 nan 0.000 0.446 50 L N -0.869 120.216 121.223 -0.230 0.000 2.685 50 L HA 0.292 4.962 4.340 0.550 0.000 0.233 50 L C 1.433 178.198 176.870 -0.175 0.000 1.173 50 L CA 0.066 54.779 54.840 -0.212 0.000 0.961 50 L CB -0.836 40.989 42.059 -0.391 0.000 1.217 50 L HN 0.631 nan 8.230 nan 0.000 0.478 51 G N 0.028 108.623 108.800 -0.343 0.000 2.569 51 G HA2 -0.325 3.965 3.960 0.550 0.000 0.259 51 G HA3 -0.325 3.965 3.960 0.550 0.000 0.259 51 G C -0.694 173.782 174.900 -0.707 0.000 1.263 51 G CA -0.201 44.564 45.100 -0.559 0.000 0.928 51 G HN 0.145 nan 8.290 nan 0.000 0.572 52 Y N 0.676 121.038 120.300 0.102 0.000 2.409 52 Y HA 0.591 5.471 4.550 0.550 0.000 0.339 52 Y C 1.014 177.019 175.900 0.175 0.000 1.033 52 Y CA -0.419 57.767 58.100 0.145 0.000 1.094 52 Y CB 1.634 40.180 38.460 0.143 0.000 1.210 52 Y HN 0.624 nan 8.280 nan 0.000 0.456 53 N N 1.315 120.211 118.700 0.328 0.000 2.725 53 N HA -0.264 4.806 4.740 0.550 0.000 0.251 53 N C -0.597 175.054 175.510 0.235 0.000 1.031 53 N CA 0.588 53.793 53.050 0.257 0.000 0.720 53 N CB -1.267 37.346 38.487 0.209 0.000 0.930 53 N HN 0.761 nan 8.380 nan 0.000 0.543 54 H N 0.318 119.498 119.070 0.183 0.000 2.929 54 H HA 0.227 5.114 4.556 0.550 0.000 0.317 54 H C 1.307 176.739 175.328 0.173 0.000 1.031 54 H CA 1.004 57.147 56.048 0.158 0.000 1.466 54 H CB 0.821 30.675 29.762 0.154 0.000 1.482 54 H HN 0.356 nan 8.280 nan 0.000 0.561 55 A N 5.613 128.431 122.820 -0.005 0.000 1.873 55 A HA -0.155 4.495 4.320 0.550 0.000 0.215 55 A C 2.382 180.061 177.584 0.159 0.000 1.186 55 A CA 1.602 53.679 52.037 0.066 0.000 0.616 55 A CB -0.302 18.696 19.000 -0.004 0.000 0.823 55 A HN 0.800 nan 8.150 nan 0.000 0.442 56 K N -1.692 118.854 120.400 0.243 0.000 2.057 56 K HA -0.132 4.518 4.320 0.550 0.000 0.206 56 K C 1.828 178.629 176.600 0.336 0.000 1.050 56 K CA 1.453 57.910 56.287 0.283 0.000 0.935 56 K CB -0.346 32.344 32.500 0.318 0.000 0.715 56 K HN 0.322 nan 8.250 nan 0.000 0.439 57 F N 2.586 122.730 119.950 0.323 0.000 2.095 57 F HA -0.225 4.633 4.527 0.551 0.000 0.298 57 F C 1.695 177.553 175.800 0.096 0.000 1.104 57 F CA 1.767 59.835 58.000 0.114 0.000 1.232 57 F CB -0.524 38.484 39.000 0.013 0.000 0.987 57 F HN 0.152 nan 8.300 nan 0.000 0.475 58 N N 0.517 119.274 118.700 0.094 0.000 2.166 58 N HA -0.113 4.957 4.740 0.550 0.000 0.186 58 N C 1.984 177.455 175.510 -0.064 0.000 1.019 58 N CA 1.469 54.487 53.050 -0.053 0.000 0.856 58 N CB -0.831 37.695 38.487 0.065 0.000 0.993 58 N HN 0.401 nan 8.380 nan 0.000 0.426 59 A N 1.250 124.075 122.820 0.008 0.000 1.902 59 A HA -0.122 4.528 4.320 0.550 0.000 0.217 59 A C 2.075 179.642 177.584 -0.029 0.000 1.181 59 A CA 1.249 53.287 52.037 0.002 0.000 0.623 59 A CB -0.212 18.810 19.000 0.036 0.000 0.818 59 A HN 0.064 nan 8.150 nan 0.000 0.443 60 K N -0.139 120.236 120.400 -0.041 0.000 2.097 60 K HA -0.012 4.638 4.320 0.550 0.000 0.205 60 K C 1.832 178.356 176.600 -0.127 0.000 1.050 60 K CA 1.212 57.465 56.287 -0.058 0.000 0.938 60 K CB -0.573 31.915 32.500 -0.021 0.000 0.718 60 K HN 0.628 nan 8.250 nan 0.000 0.442 61 I N 1.165 121.590 120.570 -0.243 0.000 2.202 61 I HA -0.276 4.224 4.170 0.550 0.000 0.242 61 I C 2.215 178.253 176.117 -0.132 0.000 1.091 61 I CA 1.352 62.503 61.300 -0.248 0.000 1.368 61 I CB -0.210 37.560 38.000 -0.384 0.000 1.058 61 I HN 0.118 nan 8.210 nan 0.000 0.410 62 K N 0.934 121.272 120.400 -0.102 0.000 2.148 62 K HA -0.100 4.550 4.320 0.550 0.000 0.204 62 K C 2.251 178.826 176.600 -0.041 0.000 1.050 62 K CA 1.298 57.551 56.287 -0.057 0.000 0.942 62 K CB -0.232 32.245 32.500 -0.037 0.000 0.724 62 K HN 0.311 nan 8.250 nan 0.000 0.446 63 A N 1.336 124.132 122.820 -0.041 0.000 1.908 63 A HA -0.250 4.400 4.320 0.550 0.000 0.218 63 A C 2.154 179.721 177.584 -0.028 0.000 1.181 63 A CA 1.668 53.689 52.037 -0.026 0.000 0.627 63 A CB -0.403 18.586 19.000 -0.019 0.000 0.818 63 A HN 0.219 nan 8.150 nan 0.000 0.445 64 Q N -0.356 119.420 119.800 -0.040 0.000 2.187 64 Q HA -0.017 4.653 4.340 0.550 0.000 0.199 64 Q C 1.772 177.755 176.000 -0.029 0.000 0.957 64 Q CA 1.556 57.338 55.803 -0.035 0.000 0.857 64 Q CB -0.499 28.212 28.738 -0.044 0.000 0.929 64 Q HN 0.321 nan 8.270 nan 0.000 0.453 65 V N 1.355 121.249 119.914 -0.034 0.000 2.392 65 V HA -0.245 4.205 4.120 0.550 0.000 0.249 65 V C 1.303 177.388 176.094 -0.016 0.000 1.059 65 V CA 2.128 64.414 62.300 -0.024 0.000 1.051 65 V CB -0.549 31.258 31.823 -0.026 0.000 0.658 65 V HN 0.377 nan 8.190 nan 0.000 0.455 66 D N -0.718 119.672 120.400 -0.016 0.000 2.371 66 D HA -0.051 4.919 4.640 0.550 0.000 0.221 66 D C 1.968 178.262 176.300 -0.011 0.000 0.986 66 D CA 0.802 54.795 54.000 -0.012 0.000 0.899 66 D CB 0.149 40.942 40.800 -0.011 0.000 0.902 66 D HN 0.512 nan 8.370 nan 0.000 0.530 67 K N -0.879 119.513 120.400 -0.012 0.000 2.313 67 K HA 0.255 4.905 4.320 0.550 0.000 0.215 67 K C -0.056 176.537 176.600 -0.012 0.000 1.109 67 K CA -0.120 56.160 56.287 -0.012 0.000 0.895 67 K CB 1.082 33.574 32.500 -0.013 0.000 1.234 67 K HN -0.123 nan 8.250 nan 0.000 0.463 68 L N 0.660 121.877 121.223 -0.011 0.000 2.705 68 L HA 0.217 4.887 4.340 0.550 0.000 0.260 68 L C -0.529 176.344 176.870 0.005 0.000 0.921 68 L CA -0.076 54.761 54.840 -0.006 0.000 0.948 68 L CB 1.721 43.770 42.059 -0.018 0.000 1.427 68 L HN 0.100 nan 8.230 nan 0.000 0.432 69 L N 2.173 123.413 121.223 0.029 0.000 2.298 69 L HA 0.275 4.945 4.340 0.550 0.000 0.209 69 L C -0.111 176.822 176.870 0.105 0.000 1.084 69 L CA 0.225 55.095 54.840 0.049 0.000 0.816 69 L CB -0.003 42.086 42.059 0.050 0.000 0.967 69 L HN 0.765 nan 8.230 nan 0.000 0.460 70 H N -1.240 117.822 119.070 -0.013 0.000 3.029 70 H HA 0.209 5.094 4.556 0.550 0.000 0.358 70 H C 0.108 175.434 175.328 -0.003 0.000 1.129 70 H CA -0.013 56.033 56.048 -0.003 0.000 1.230 70 H CB 1.489 31.252 29.762 0.003 0.000 1.827 70 H HN -0.013 nan 8.280 nan 0.000 0.530 71 T N 1.034 115.243 114.554 -0.575 0.000 2.964 71 T HA 0.282 4.962 4.350 0.550 0.000 0.249 71 T C 0.443 174.912 174.700 -0.386 0.000 1.000 71 T CA 0.421 62.296 62.100 -0.374 0.000 0.992 71 T CB -0.425 68.358 68.868 -0.140 0.000 1.087 71 T HN 1.445 nan 8.240 nan 0.000 0.489 72 S N 2.722 117.997 115.700 -0.709 0.000 3.661 72 S HA -0.150 4.650 4.470 0.550 0.000 0.772 72 S C 0.213 174.763 174.600 -0.083 0.000 1.194 72 S CA 0.203 58.272 58.200 -0.218 0.000 1.148 72 S CB -1.638 61.578 63.200 0.027 0.000 0.564 72 S HN 0.851 nan 8.310 nan 0.000 0.482 73 N N 1.376 120.038 118.700 -0.062 0.000 2.521 73 N HA 0.124 5.194 4.740 0.550 0.000 0.188 73 N C 1.384 176.790 175.510 -0.173 0.000 1.146 73 N CA 1.050 54.044 53.050 -0.093 0.000 0.893 73 N CB -0.602 37.845 38.487 -0.066 0.000 0.975 73 N HN 0.693 nan 8.380 nan 0.000 0.451 74 L N -1.429 119.678 121.223 -0.194 0.000 2.395 74 L HA 0.101 4.771 4.340 0.550 0.000 0.218 74 L C -0.065 176.438 176.870 -0.612 0.000 1.130 74 L CA 0.531 55.128 54.840 -0.406 0.000 0.826 74 L CB -0.244 41.517 42.059 -0.497 0.000 0.941 74 L HN 0.101 nan 8.230 nan 0.000 0.451 75 Y N -2.898 117.307 120.300 -0.157 0.000 2.630 75 Y HA 0.450 5.330 4.550 0.550 0.000 0.337 75 Y C -0.340 175.436 175.900 -0.207 0.000 1.051 75 Y CA -1.203 56.832 58.100 -0.107 0.000 1.121 75 Y CB 0.883 39.323 38.460 -0.033 0.000 1.299 75 Y HN -0.276 nan 8.280 nan 0.000 0.498 76 Y N 0.585 120.985 120.300 0.165 0.000 2.403 76 Y HA 0.401 5.280 4.550 0.550 0.000 0.323 76 Y C -0.091 175.849 175.900 0.066 0.000 1.226 76 Y CA -0.593 57.561 58.100 0.089 0.000 1.235 76 Y CB 1.502 40.002 38.460 0.066 0.000 1.248 76 Y HN 0.596 nan 8.280 nan 0.000 0.489 77 N N -0.244 118.574 118.700 0.198 0.000 2.371 77 N HA 0.174 5.244 4.740 0.550 0.000 0.280 77 N C -0.239 175.323 175.510 0.087 0.000 1.084 77 N CA -0.391 52.721 53.050 0.104 0.000 0.892 77 N CB 1.337 39.848 38.487 0.041 0.000 1.653 77 N HN 0.653 nan 8.380 nan 0.000 0.480 78 E N 0.847 121.082 120.200 0.058 0.000 2.118 78 E HA -0.191 4.489 4.350 0.550 0.000 0.195 78 E C 0.673 177.289 176.600 0.028 0.000 0.992 78 E CA 0.979 57.404 56.400 0.041 0.000 0.804 78 E CB 0.044 29.758 29.700 0.023 0.000 0.741 78 E HN 0.550 nan 8.360 nan 0.000 0.458 79 N N 0.766 119.473 118.700 0.012 0.000 2.120 79 N HA -0.145 4.925 4.740 0.550 0.000 0.188 79 N C 1.994 177.494 175.510 -0.017 0.000 1.024 79 N CA 1.024 54.069 53.050 -0.008 0.000 0.852 79 N CB -0.148 38.322 38.487 -0.028 0.000 1.003 79 N HN 0.232 nan 8.380 nan 0.000 0.424 80 I N 1.343 121.907 120.570 -0.009 0.000 2.202 80 I HA -0.195 4.305 4.170 0.550 0.000 0.242 80 I C 2.503 178.681 176.117 0.102 0.000 1.091 80 I CA 0.847 62.148 61.300 0.002 0.000 1.368 80 I CB -0.412 37.606 38.000 0.030 0.000 1.058 80 I HN 0.034 nan 8.210 nan 0.000 0.410 81 A N 0.956 123.831 122.820 0.091 0.000 1.908 81 A HA -0.174 4.476 4.320 0.550 0.000 0.218 81 A C 2.540 180.151 177.584 0.044 0.000 1.181 81 A CA 2.011 54.095 52.037 0.080 0.000 0.627 81 A CB -0.794 18.249 19.000 0.071 0.000 0.818 81 A HN 0.445 nan 8.150 nan 0.000 0.445 82 A N -0.382 122.456 122.820 0.030 0.000 1.930 82 A HA 0.248 4.898 4.320 0.550 0.000 0.217 82 A C 2.473 180.064 177.584 0.011 0.000 1.175 82 A CA 1.827 53.867 52.037 0.004 0.000 0.627 82 A CB -0.890 18.112 19.000 0.004 0.000 0.815 82 A HN 1.004 nan 8.150 nan 0.000 0.443 83 A N -0.024 122.832 122.820 0.060 0.000 1.898 83 A HA 0.191 4.841 4.320 0.550 0.000 0.216 83 A C 2.491 180.233 177.584 0.263 0.000 1.181 83 A CA 1.954 54.074 52.037 0.139 0.000 0.620 83 A CB -0.972 18.042 19.000 0.024 0.000 0.819 83 A HN 0.991 nan 8.150 nan 0.000 0.442 84 A N 0.095 123.091 122.820 0.295 0.000 1.902 84 A HA -0.172 4.478 4.320 0.550 0.000 0.217 84 A C 2.078 179.599 177.584 -0.106 0.000 1.181 84 A CA 2.336 54.411 52.037 0.064 0.000 0.623 84 A CB -0.460 18.530 19.000 -0.018 0.000 0.818 84 A HN 0.515 nan 8.150 nan 0.000 0.443 85 K N 0.245 120.589 120.400 -0.094 0.000 2.063 85 K HA -0.163 4.487 4.320 0.550 0.000 0.208 85 K C 1.814 178.271 176.600 -0.239 0.000 1.048 85 K CA 1.895 58.091 56.287 -0.152 0.000 0.928 85 K CB -0.273 32.160 32.500 -0.113 0.000 0.713 85 K HN 0.438 nan 8.250 nan 0.000 0.442 86 N N 0.392 118.913 118.700 -0.297 0.000 2.084 86 N HA -0.152 4.918 4.740 0.550 0.000 0.190 86 N C 1.595 176.601 175.510 -0.840 0.000 1.030 86 N CA 1.275 53.940 53.050 -0.642 0.000 0.849 86 N CB -0.311 37.707 38.487 -0.781 0.000 1.012 86 N HN 0.177 nan 8.380 nan 0.000 0.423 87 L N 1.233 122.175 121.223 -0.469 0.000 2.093 87 L HA 0.062 4.732 4.340 0.550 0.000 0.208 87 L C 2.104 178.843 176.870 -0.219 0.000 1.085 87 L CA 1.336 56.043 54.840 -0.222 0.000 0.755 87 L CB -0.971 41.108 42.059 0.033 0.000 0.904 87 L HN 0.091 nan 8.230 nan 0.000 0.435 88 A N -0.527 122.145 122.820 -0.247 0.000 1.933 88 A HA -0.278 4.372 4.320 0.550 0.000 0.218 88 A C 2.447 179.917 177.584 -0.189 0.000 1.175 88 A CA 2.041 53.946 52.037 -0.221 0.000 0.628 88 A CB -0.560 18.304 19.000 -0.226 0.000 0.814 88 A HN 0.501 nan 8.150 nan 0.000 0.444 89 K N -0.433 119.829 120.400 -0.230 0.000 2.031 89 K HA 0.024 4.674 4.320 0.550 0.000 0.205 89 K C 2.128 178.619 176.600 -0.181 0.000 1.049 89 K CA 1.189 57.358 56.287 -0.197 0.000 0.939 89 K CB -0.342 32.025 32.500 -0.222 0.000 0.717 89 K HN 0.320 nan 8.250 nan 0.000 0.438 90 A N 0.752 123.393 122.820 -0.299 0.000 1.930 90 A HA -0.148 4.502 4.320 0.550 0.000 0.217 90 A C 2.116 179.760 177.584 0.100 0.000 1.175 90 A CA 2.069 53.941 52.037 -0.274 0.000 0.627 90 A CB -0.779 17.829 19.000 -0.653 0.000 0.815 90 A HN 0.554 nan 8.150 nan 0.000 0.443 91 S N -1.502 114.244 115.700 0.076 0.000 2.428 91 S HA 0.289 5.089 4.470 0.550 0.000 0.230 91 S C 1.298 175.939 174.600 0.069 0.000 1.014 91 S CA 1.333 59.539 58.200 0.010 0.000 0.957 91 S CB -0.337 62.719 63.200 -0.240 0.000 0.784 91 S HN 2.107 nan 8.310 nan 0.000 0.499 92 A N -0.114 122.709 122.820 0.005 0.000 2.945 92 A HA -0.086 4.564 4.320 0.550 0.000 0.251 92 A C 0.137 177.694 177.584 -0.044 0.000 1.355 92 A CA 0.990 53.026 52.037 -0.002 0.000 0.905 92 A CB -2.487 16.547 19.000 0.057 0.000 1.104 92 A HN 0.576 nan 8.150 nan 0.000 0.733 93 L N -1.788 119.384 121.223 -0.085 0.000 2.319 93 L HA 0.586 5.256 4.340 0.550 0.000 0.267 93 L C 1.512 178.303 176.870 -0.131 0.000 1.011 93 L CA -0.423 54.351 54.840 -0.110 0.000 0.818 93 L CB 1.272 43.251 42.059 -0.133 0.000 1.316 93 L HN 0.338 nan 8.230 nan 0.000 0.432 94 E N 0.895 121.023 120.200 -0.119 0.000 2.047 94 E HA -0.018 4.662 4.350 0.550 0.000 0.191 94 E C -0.007 176.477 176.600 -0.193 0.000 0.987 94 E CA 1.481 57.803 56.400 -0.129 0.000 0.799 94 E CB 0.432 30.085 29.700 -0.079 0.000 0.752 94 E HN 0.252 nan 8.360 nan 0.000 0.449 95 R N -0.457 119.905 120.500 -0.231 0.000 2.673 95 R HA 0.461 5.131 4.340 0.550 0.000 0.281 95 R C -1.300 174.597 176.300 -0.671 0.000 0.991 95 R CA -0.914 54.935 56.100 -0.418 0.000 0.896 95 R CB 2.071 32.175 30.300 -0.327 0.000 1.201 95 R HN -0.083 nan 8.270 nan 0.000 0.457 96 V N 3.390 122.732 119.914 -0.952 0.000 2.555 96 V HA 0.555 5.005 4.120 0.550 0.000 0.302 96 V C -0.921 174.277 176.094 -1.493 0.000 1.038 96 V CA -0.673 60.999 62.300 -1.047 0.000 0.887 96 V CB 1.542 32.843 31.823 -0.871 0.000 0.991 96 V HN 0.498 nan 8.190 nan 0.000 0.434 97 F N 4.033 123.438 119.950 -0.907 0.000 2.445 97 F HA 0.616 5.472 4.527 0.548 0.000 0.348 97 F C -0.265 175.120 175.800 -0.691 0.000 1.125 97 F CA -0.740 56.745 58.000 -0.859 0.000 0.983 97 F CB 1.104 39.283 39.000 -1.369 0.000 1.198 97 F HN 0.267 nan 8.300 nan 0.000 0.436 98 F N 1.421 121.375 119.950 0.006 0.000 2.389 98 F HA 0.561 5.418 4.527 0.550 0.000 0.337 98 F C 0.937 176.876 175.800 0.232 0.000 1.112 98 F CA -0.384 57.665 58.000 0.081 0.000 1.192 98 F CB 1.255 40.299 39.000 0.074 0.000 1.185 98 F HN 0.504 nan 8.300 nan 0.000 0.552 99 T N -1.937 112.869 114.554 0.421 0.000 2.742 99 T HA 0.353 5.033 4.350 0.550 0.000 0.282 99 T C 0.287 175.155 174.700 0.280 0.000 1.025 99 T CA -0.939 61.390 62.100 0.382 0.000 1.020 99 T CB 1.369 70.438 68.868 0.334 0.000 1.317 99 T HN 0.419 nan 8.240 nan 0.000 0.538 100 N N 0.531 119.365 118.700 0.223 0.000 2.353 100 N HA 0.208 5.278 4.740 0.550 0.000 0.185 100 N C 0.244 175.840 175.510 0.143 0.000 1.098 100 N CA 0.357 53.505 53.050 0.163 0.000 0.872 100 N CB 0.389 38.955 38.487 0.131 0.000 0.970 100 N HN 0.860 nan 8.380 nan 0.000 0.467 101 S N -2.888 112.905 115.700 0.155 0.000 2.615 101 S HA 0.442 5.242 4.470 0.550 0.000 0.268 101 S C 0.911 175.591 174.600 0.133 0.000 1.146 101 S CA -0.385 57.894 58.200 0.131 0.000 0.818 101 S CB 0.883 64.147 63.200 0.106 0.000 1.111 101 S HN -0.033 nan 8.310 nan 0.000 0.465 102 G N 0.784 109.658 108.800 0.124 0.000 2.446 102 G HA2 -0.146 4.144 3.960 0.550 0.000 0.217 102 G HA3 -0.146 4.144 3.960 0.550 0.000 0.217 102 G C 1.288 176.236 174.900 0.080 0.000 1.168 102 G CA 1.677 46.849 45.100 0.119 0.000 0.771 102 G HN 0.946 nan 8.290 nan 0.000 0.551 103 T N 0.144 114.733 114.554 0.058 0.000 2.788 103 T HA -0.069 4.611 4.350 0.550 0.000 0.268 103 T C 2.241 176.943 174.700 0.003 0.000 1.044 103 T CA 1.844 63.947 62.100 0.004 0.000 1.139 103 T CB -0.232 68.630 68.868 -0.009 0.000 0.867 103 T HN 0.509 nan 8.240 nan 0.000 0.454 104 E N 0.351 120.581 120.200 0.050 0.000 2.110 104 E HA -0.071 4.609 4.350 0.550 0.000 0.193 104 E C 2.523 179.149 176.600 0.042 0.000 0.988 104 E CA 1.272 57.714 56.400 0.069 0.000 0.804 104 E CB -0.041 29.745 29.700 0.144 0.000 0.745 104 E HN 0.421 nan 8.360 nan 0.000 0.458 105 S N 0.701 116.448 115.700 0.079 0.000 2.368 105 S HA -0.114 4.686 4.470 0.550 0.000 0.224 105 S C 1.926 176.491 174.600 -0.059 0.000 1.029 105 S CA 0.610 58.869 58.200 0.099 0.000 0.988 105 S CB -0.042 63.259 63.200 0.168 0.000 0.838 105 S HN 0.203 nan 8.310 nan 0.000 0.462 106 I N 2.126 122.659 120.570 -0.062 0.000 2.179 106 I HA -0.122 4.378 4.170 0.550 0.000 0.242 106 I C 2.475 178.452 176.117 -0.234 0.000 1.088 106 I CA 1.326 62.542 61.300 -0.140 0.000 1.357 106 I CB -1.257 36.671 38.000 -0.120 0.000 1.051 106 I HN 0.322 nan 8.210 nan 0.000 0.409 107 E N 0.824 120.904 120.200 -0.199 0.000 2.058 107 E HA -0.184 4.496 4.350 0.550 0.000 0.194 107 E C 2.259 178.662 176.600 -0.327 0.000 0.997 107 E CA 1.525 57.795 56.400 -0.216 0.000 0.801 107 E CB -0.507 29.120 29.700 -0.121 0.000 0.746 107 E HN 0.545 nan 8.360 nan 0.000 0.450 108 G N 1.659 110.160 108.800 -0.499 0.000 2.422 108 G HA2 -0.111 4.179 3.960 0.550 0.000 0.218 108 G HA3 -0.111 4.179 3.960 0.550 0.000 0.218 108 G C 0.975 175.174 174.900 -1.168 0.000 1.146 108 G CA 0.949 45.401 45.100 -1.079 0.000 0.769 108 G HN 0.411 nan 8.290 nan 0.000 0.547 112 T N 1.589 116.063 114.554 -0.133 0.000 2.746 112 T HA -0.131 4.549 4.350 0.550 0.000 0.267 112 T C 1.851 176.572 174.700 0.035 0.000 1.039 112 T CA 1.734 63.800 62.100 -0.057 0.000 1.142 112 T CB -0.242 68.576 68.868 -0.083 0.000 0.866 112 T HN 0.376 nan 8.240 nan 0.000 0.444 113 A N 1.707 124.549 122.820 0.036 0.000 1.902 113 A HA -0.084 4.566 4.320 0.550 0.000 0.217 113 A C 2.408 180.028 177.584 0.060 0.000 1.181 113 A CA 1.154 53.217 52.037 0.044 0.000 0.623 113 A CB -0.433 18.606 19.000 0.064 0.000 0.818 113 A HN 0.320 nan 8.150 nan 0.000 0.443 114 R N -0.569 119.975 120.500 0.075 0.000 2.081 114 R HA -0.123 4.547 4.340 0.550 0.000 0.235 114 R C 2.335 178.695 176.300 0.101 0.000 1.131 114 R CA 1.645 57.776 56.100 0.052 0.000 0.960 114 R CB -0.288 30.057 30.300 0.075 0.000 0.856 114 R HN 0.598 nan 8.270 nan 0.000 0.436 115 K N -0.069 120.384 120.400 0.089 0.000 2.097 115 K HA -0.207 4.443 4.320 0.550 0.000 0.206 115 K C 2.030 178.740 176.600 0.183 0.000 1.049 115 K CA 1.310 57.666 56.287 0.114 0.000 0.933 115 K CB -0.230 32.301 32.500 0.051 0.000 0.717 115 K HN 0.100 nan 8.250 nan 0.000 0.442 116 Y N 0.659 120.984 120.300 0.042 0.000 2.128 116 Y HA -0.270 4.612 4.550 0.552 0.000 0.284 116 Y C 1.970 177.885 175.900 0.024 0.000 1.154 116 Y CA 1.958 60.074 58.100 0.027 0.000 1.149 116 Y CB -0.374 38.087 38.460 0.001 0.000 0.976 116 Y HN 0.148 nan 8.280 nan 0.000 0.505 117 A N -0.316 122.602 122.820 0.163 0.000 1.898 117 A HA -0.173 4.477 4.320 0.550 0.000 0.216 117 A C 2.161 179.746 177.584 0.002 0.000 1.181 117 A CA 1.314 53.377 52.037 0.044 0.000 0.620 117 A CB -1.509 17.522 19.000 0.051 0.000 0.819 117 A HN 0.647 nan 8.150 nan 0.000 0.442 118 F N 1.737 121.650 119.950 -0.062 0.000 2.120 118 F HA -0.242 4.614 4.527 0.549 0.000 0.300 118 F C 1.909 177.659 175.800 -0.083 0.000 1.095 118 F CA 2.155 60.118 58.000 -0.061 0.000 1.249 118 F CB -0.190 38.788 39.000 -0.037 0.000 0.995 118 F HN 0.224 nan 8.300 nan 0.000 0.480 119 N N 0.358 119.047 118.700 -0.017 0.000 2.309 119 N HA -0.116 4.954 4.740 0.550 0.000 0.182 119 N C 1.365 176.741 175.510 -0.224 0.000 1.018 119 N CA 0.892 53.866 53.050 -0.127 0.000 0.876 119 N CB -0.313 38.133 38.487 -0.068 0.000 0.972 119 N HN 0.322 nan 8.380 nan 0.000 0.434 120 K N -0.128 120.119 120.400 -0.254 0.000 2.487 120 K HA 0.143 4.793 4.320 0.550 0.000 0.192 120 K C 0.836 177.314 176.600 -0.202 0.000 1.027 120 K CA 0.362 56.506 56.287 -0.239 0.000 1.054 120 K CB 0.287 32.629 32.500 -0.263 0.000 0.824 120 K HN 0.270 nan 8.250 nan 0.000 0.510 121 G N 0.810 109.456 108.800 -0.257 0.000 2.176 121 G HA2 -0.220 4.070 3.960 0.550 0.000 0.232 121 G HA3 -0.220 4.070 3.960 0.550 0.000 0.232 121 G C 0.032 174.804 174.900 -0.214 0.000 0.986 121 G CA -0.070 44.874 45.100 -0.260 0.000 0.643 121 G HN 0.114 nan 8.290 nan 0.000 0.522 122 V N 1.552 121.366 119.914 -0.167 0.000 2.318 122 V HA 0.552 5.002 4.120 0.550 0.000 0.271 122 V C 0.529 176.607 176.094 -0.027 0.000 1.030 122 V CA -0.696 61.551 62.300 -0.089 0.000 0.844 122 V CB 1.322 33.108 31.823 -0.062 0.000 1.015 122 V HN 0.355 nan 8.190 nan 0.000 0.460 123 K N 3.710 124.108 120.400 -0.004 0.000 2.174 123 K HA 0.592 5.242 4.320 0.550 0.000 0.275 123 K C 0.846 177.498 176.600 0.086 0.000 1.015 123 K CA 0.666 57.028 56.287 0.125 0.000 0.933 123 K CB 0.974 33.543 32.500 0.115 0.000 1.025 123 K HN 0.961 nan 8.250 nan 0.000 0.463 124 G N 2.554 111.421 108.800 0.110 0.000 2.333 124 G HA2 -0.200 4.090 3.960 0.550 0.000 0.296 124 G HA3 -0.200 4.090 3.960 0.550 0.000 0.296 124 G C 0.460 175.356 174.900 -0.007 0.000 1.059 124 G CA 0.010 45.138 45.100 0.048 0.000 1.050 124 G HN 0.913 nan 8.290 nan 0.000 0.508 125 G N -0.754 108.022 108.800 -0.040 0.000 2.321 125 G HA2 0.396 4.686 3.960 0.550 0.000 0.237 125 G HA3 0.396 4.686 3.960 0.550 0.000 0.237 125 G C 0.333 175.060 174.900 -0.288 0.000 1.282 125 G CA 0.148 45.147 45.100 -0.167 0.000 0.886 125 G HN 0.714 nan 8.290 nan 0.000 0.528 126 Q N -0.109 119.506 119.800 -0.308 0.000 2.205 126 Q HA 0.562 5.232 4.340 0.550 0.000 0.249 126 Q C -1.039 174.647 176.000 -0.522 0.000 0.948 126 Q CA -0.339 55.299 55.803 -0.275 0.000 0.895 126 Q CB 1.845 30.504 28.738 -0.132 0.000 1.249 126 Q HN 0.521 nan 8.270 nan 0.000 0.458 127 F N 0.720 120.588 119.950 -0.137 0.000 2.495 127 F HA 0.488 5.342 4.527 0.546 0.000 0.327 127 F C -0.182 175.468 175.800 -0.251 0.000 1.103 127 F CA -0.748 57.145 58.000 -0.178 0.000 0.949 127 F CB 1.187 40.070 39.000 -0.195 0.000 1.142 127 F HN 0.253 nan 8.300 nan 0.000 0.457 128 I N 3.102 123.618 120.570 -0.091 0.000 2.330 128 I HA 0.605 5.105 4.170 0.550 0.000 0.289 128 I C -0.009 175.926 176.117 -0.302 0.000 1.001 128 I CA -0.334 60.815 61.300 -0.252 0.000 1.193 128 I CB 1.078 38.928 38.000 -0.251 0.000 1.345 128 I HN 0.736 nan 8.210 nan 0.000 0.461 129 A N 6.371 128.927 122.820 -0.440 0.000 2.468 129 A HA 0.898 5.548 4.320 0.550 0.000 0.277 129 A C -1.153 176.278 177.584 -0.254 0.000 1.203 129 A CA -0.413 51.496 52.037 -0.213 0.000 0.932 129 A CB 0.932 19.893 19.000 -0.065 0.000 1.438 129 A HN 0.504 nan 8.150 nan 0.000 0.468 130 F N 0.151 120.332 119.950 0.386 0.000 2.532 130 F HA 0.423 5.322 4.527 0.620 0.000 0.321 130 F C 0.455 176.461 175.800 0.343 0.000 1.089 130 F CA -0.569 57.664 58.000 0.388 0.000 0.926 130 F CB 2.012 41.277 39.000 0.441 0.000 1.168 130 F HN 0.437 nan 8.300 nan 0.000 0.459 131 K N 2.201 122.825 120.400 0.373 0.000 2.469 131 K HA 0.035 4.685 4.320 0.550 0.000 0.274 131 K C -0.113 176.491 176.600 0.006 0.000 0.983 131 K CA 0.382 56.678 56.287 0.015 0.000 0.974 131 K CB -0.004 32.405 32.500 -0.153 0.000 0.913 131 K HN 0.725 nan 8.250 nan 0.000 0.493 132 H N -1.783 117.304 119.070 0.028 0.000 3.109 132 H HA -0.154 4.720 4.556 0.530 0.000 0.245 132 H C -0.102 175.199 175.328 -0.045 0.000 1.187 132 H CA 0.896 56.933 56.048 -0.019 0.000 1.136 132 H CB -2.066 27.669 29.762 -0.045 0.000 1.243 132 H HN 0.703 nan 8.280 nan 0.000 0.328 133 S N -0.161 115.583 115.700 0.072 0.000 2.632 133 S HA 0.619 5.419 4.470 0.550 0.000 0.271 133 S C -0.316 174.236 174.600 -0.079 0.000 1.260 133 S CA -0.694 57.500 58.200 -0.011 0.000 1.010 133 S CB 2.496 65.768 63.200 0.119 0.000 0.965 133 S HN 0.304 nan 8.310 nan 0.000 0.534 134 F N 1.264 120.971 119.950 -0.404 0.000 2.573 134 F HA 0.487 5.339 4.527 0.542 0.000 0.316 134 F C 0.074 175.611 175.800 -0.437 0.000 1.148 134 F CA -0.608 57.177 58.000 -0.358 0.000 0.940 134 F CB 1.533 40.390 39.000 -0.238 0.000 1.214 134 F HN 0.827 nan 8.300 nan 0.000 0.448 135 H N 3.519 122.108 119.070 -0.801 0.000 3.241 135 H HA 0.503 5.388 4.556 0.548 0.000 0.260 135 H C 0.657 175.587 175.328 -0.663 0.000 1.084 135 H CA 0.462 56.201 56.048 -0.516 0.000 1.203 135 H CB 1.343 30.951 29.762 -0.256 0.000 1.524 135 H HN 0.808 nan 8.280 nan 0.000 0.521 136 G N 0.354 108.522 108.800 -1.054 0.000 2.361 136 G HA2 -0.000 4.290 3.960 0.550 0.000 0.305 136 G HA3 -0.000 4.290 3.960 0.550 0.000 0.305 136 G C -0.172 174.528 174.900 -0.334 0.000 1.367 136 G CA -0.768 43.993 45.100 -0.565 0.000 0.951 136 G HN -0.021 nan 8.290 nan 0.000 0.615 137 R N -0.483 119.968 120.500 -0.081 0.000 2.308 137 R HA 0.162 4.832 4.340 0.550 0.000 0.202 137 R C 1.476 177.724 176.300 -0.087 0.000 0.898 137 R CA 0.959 57.048 56.100 -0.018 0.000 1.046 137 R CB 0.077 30.419 30.300 0.069 0.000 1.026 137 R HN 0.826 nan 8.270 nan 0.000 0.512 138 T N -1.294 113.209 114.554 -0.084 0.000 2.813 138 T HA 0.203 4.883 4.350 0.550 0.000 0.297 138 T C 1.774 176.412 174.700 -0.103 0.000 1.036 138 T CA -0.487 61.560 62.100 -0.089 0.000 1.044 138 T CB 1.157 69.989 68.868 -0.060 0.000 0.993 138 T HN -0.072 nan 8.240 nan 0.000 0.535 139 L N 1.175 122.342 121.223 -0.094 0.000 2.131 139 L HA 0.047 4.717 4.340 0.550 0.000 0.210 139 L C 2.904 179.728 176.870 -0.076 0.000 1.092 139 L CA 1.504 56.297 54.840 -0.078 0.000 0.759 139 L CB -1.042 40.985 42.059 -0.053 0.000 0.903 139 L HN 1.014 nan 8.230 nan 0.000 0.435 140 G N -0.481 108.259 108.800 -0.100 0.000 2.404 140 G HA2 -0.194 4.096 3.960 0.550 0.000 0.214 140 G HA3 -0.194 4.096 3.960 0.550 0.000 0.214 140 G C 1.769 176.560 174.900 -0.182 0.000 1.189 140 G CA 0.686 45.699 45.100 -0.146 0.000 0.789 140 G HN 0.437 nan 8.290 nan 0.000 0.533 141 A N 0.249 122.968 122.820 -0.168 0.000 1.972 141 A HA 0.093 4.743 4.320 0.550 0.000 0.219 141 A C 2.312 179.808 177.584 -0.146 0.000 1.169 141 A CA 1.543 53.472 52.037 -0.179 0.000 0.635 141 A CB -0.375 18.522 19.000 -0.172 0.000 0.810 141 A HN 0.413 nan 8.150 nan 0.000 0.446 142 L N 0.036 121.192 121.223 -0.113 0.000 2.201 142 L HA -0.048 4.622 4.340 0.550 0.000 0.212 142 L C 2.287 179.165 176.870 0.013 0.000 1.105 142 L CA 2.180 56.987 54.840 -0.055 0.000 0.775 142 L CB -0.511 41.531 42.059 -0.029 0.000 0.913 142 L HN 0.277 nan 8.230 nan 0.000 0.440 143 S N -0.621 115.073 115.700 -0.010 0.000 2.447 143 S HA -0.036 4.764 4.470 0.550 0.000 0.233 143 S C 1.700 176.361 174.600 0.100 0.000 1.006 143 S CA 1.028 59.251 58.200 0.038 0.000 0.957 143 S CB -0.271 62.908 63.200 -0.036 0.000 0.773 143 S HN 0.464 nan 8.310 nan 0.000 0.507 144 L N 0.760 122.003 121.223 0.033 0.000 2.592 144 L HA 0.140 4.810 4.340 0.550 0.000 0.227 144 L C 0.795 177.908 176.870 0.405 0.000 1.127 144 L CA 0.177 55.083 54.840 0.109 0.000 0.884 144 L CB -0.328 41.669 42.059 -0.104 0.000 1.065 144 L HN 0.078 nan 8.230 nan 0.000 0.457 145 T N -0.063 114.628 114.554 0.228 0.000 2.832 145 T HA 0.318 4.998 4.350 0.550 0.000 0.296 145 T C 1.163 175.818 174.700 -0.075 0.000 0.968 145 T CA 0.299 62.428 62.100 0.048 0.000 1.107 145 T CB 1.901 70.682 68.868 -0.145 0.000 0.916 145 T HN 0.264 nan 8.240 nan 0.000 0.517 146 A N 4.684 127.345 122.820 -0.265 0.000 1.898 146 A HA 0.012 4.662 4.320 0.550 0.000 0.216 146 A C 1.370 178.637 177.584 -0.527 0.000 1.181 146 A CA 0.720 52.301 52.037 -0.760 0.000 0.620 146 A CB -0.259 18.486 19.000 -0.425 0.000 0.819 146 A HN 0.688 nan 8.150 nan 0.000 0.442 147 N N 0.281 118.868 118.700 -0.188 0.000 2.430 147 N HA 0.096 5.166 4.740 0.550 0.000 0.265 147 N C 0.591 176.191 175.510 0.151 0.000 1.100 147 N CA 0.104 53.191 53.050 0.061 0.000 0.961 147 N CB 1.319 40.035 38.487 0.382 0.000 1.075 147 N HN 0.325 nan 8.380 nan 0.000 0.478 148 E N 3.148 123.372 120.200 0.039 0.000 2.331 148 E HA -0.156 4.524 4.350 0.550 0.000 0.199 148 E C 0.563 177.212 176.600 0.081 0.000 1.008 148 E CA 1.566 57.994 56.400 0.048 0.000 0.843 148 E CB 0.230 29.933 29.700 0.005 0.000 0.761 148 E HN 0.397 nan 8.360 nan 0.000 0.507 149 K N -0.979 119.472 120.400 0.085 0.000 2.366 149 K HA 0.015 4.665 4.320 0.550 0.000 0.198 149 K C 1.173 177.764 176.600 -0.015 0.000 1.044 149 K CA 0.737 57.017 56.287 -0.013 0.000 0.973 149 K CB -0.252 32.188 32.500 -0.099 0.000 0.767 149 K HN 0.337 nan 8.250 nan 0.000 0.475 150 Y N 0.304 120.651 120.300 0.079 0.000 2.457 150 Y HA -0.032 4.849 4.550 0.553 0.000 0.292 150 Y C 1.810 177.865 175.900 0.260 0.000 1.125 150 Y CA 0.705 58.904 58.100 0.165 0.000 1.254 150 Y CB 0.236 38.797 38.460 0.168 0.000 1.012 150 Y HN 0.102 nan 8.280 nan 0.000 0.555 151 Q N -0.428 119.569 119.800 0.329 0.000 2.423 151 Q HA -0.020 4.650 4.340 0.550 0.000 0.231 151 Q C 1.924 178.014 176.000 0.151 0.000 0.894 151 Q CA 0.030 56.020 55.803 0.313 0.000 0.938 151 Q CB 0.180 29.043 28.738 0.209 0.000 1.079 151 Q HN 0.296 nan 8.270 nan 0.000 0.552 152 K N 1.528 121.937 120.400 0.016 0.000 2.032 152 K HA -0.181 4.469 4.320 0.550 0.000 0.218 152 K C -0.782 175.717 176.600 -0.168 0.000 1.054 152 K CA 1.899 58.147 56.287 -0.064 0.000 0.941 152 K CB -0.606 31.849 32.500 -0.075 0.000 0.720 152 K HN 0.124 nan 8.250 nan 0.000 0.449 153 P HA -0.088 nan 4.420 nan 0.000 0.233 153 P C 0.509 177.549 177.300 -0.433 0.000 1.167 153 P CA 1.014 63.825 63.100 -0.482 0.000 0.770 153 P CB 0.017 31.297 31.700 -0.700 0.000 0.837 154 F N 0.181 120.149 119.950 0.029 0.000 2.776 154 F HA 0.231 5.087 4.527 0.548 0.000 0.300 154 F C 1.268 177.084 175.800 0.027 0.000 1.116 154 F CA -0.452 57.566 58.000 0.029 0.000 1.375 154 F CB -0.609 38.414 39.000 0.038 0.000 1.109 154 F HN -0.264 nan 8.300 nan 0.000 0.585 155 K N 2.460 122.938 120.400 0.130 0.000 2.319 155 K HA 0.145 4.795 4.320 0.550 0.000 0.265 155 K C -2.053 174.589 176.600 0.071 0.000 1.000 155 K CA -1.397 54.948 56.287 0.096 0.000 0.943 155 K CB -0.228 32.308 32.500 0.060 0.000 0.950 155 K HN -0.067 nan 8.250 nan 0.000 0.485 156 P HA 0.187 nan 4.420 nan 0.000 0.284 156 P C -0.565 176.777 177.300 0.071 0.000 1.253 156 P CA -0.245 62.892 63.100 0.063 0.000 0.800 156 P CB 0.856 32.584 31.700 0.046 0.000 0.961 157 L N 1.662 122.930 121.223 0.075 0.000 2.994 157 L HA 0.434 5.104 4.340 0.550 0.000 0.198 157 L C 0.947 177.842 176.870 0.042 0.000 1.530 157 L CA -1.404 53.474 54.840 0.064 0.000 1.565 157 L CB -0.016 42.091 42.059 0.080 0.000 2.470 157 L HN 0.206 nan 8.230 nan 0.000 0.564 158 I N 0.895 121.478 120.570 0.023 0.000 2.517 158 I HA 0.026 4.526 4.170 0.550 0.000 0.285 158 I C 0.224 176.362 176.117 0.036 0.000 1.106 158 I CA 0.502 61.810 61.300 0.015 0.000 1.402 158 I CB 0.706 38.691 38.000 -0.025 0.000 1.399 158 I HN 0.456 nan 8.210 nan 0.000 0.535 159 S N 4.264 119.990 115.700 0.043 0.000 2.565 159 S HA 0.504 5.304 4.470 0.550 0.000 0.276 159 S C 0.885 175.523 174.600 0.062 0.000 1.326 159 S CA 0.282 58.511 58.200 0.049 0.000 1.045 159 S CB 1.303 64.527 63.200 0.040 0.000 0.918 159 S HN 1.013 nan 8.310 nan 0.000 0.505 160 G N 1.170 110.002 108.800 0.053 0.000 2.155 160 G HA2 -0.135 4.155 3.960 0.550 0.000 0.135 160 G HA3 -0.135 4.155 3.960 0.550 0.000 0.135 160 G C -0.459 174.474 174.900 0.055 0.000 1.023 160 G CA -0.406 44.725 45.100 0.052 0.000 0.688 160 G HN 0.685 nan 8.290 nan 0.000 0.499 161 V N 0.408 120.320 119.914 -0.004 0.000 2.495 161 V HA 0.716 5.166 4.120 0.550 0.000 0.298 161 V C 0.189 176.128 176.094 -0.258 0.000 1.031 161 V CA -0.651 61.560 62.300 -0.149 0.000 0.871 161 V CB 1.816 33.508 31.823 -0.217 0.000 0.988 161 V HN 0.308 nan 8.190 nan 0.000 0.432 162 K N 3.455 123.617 120.400 -0.396 0.000 2.385 162 K HA 0.727 5.377 4.320 0.550 0.000 0.248 162 K C -1.700 174.562 176.600 -0.563 0.000 0.955 162 K CA -0.565 55.537 56.287 -0.308 0.000 0.816 162 K CB 2.575 34.992 32.500 -0.139 0.000 1.250 162 K HN 0.460 nan 8.250 nan 0.000 0.434 163 F N 1.156 121.068 119.950 -0.064 0.000 2.449 163 F HA 0.480 5.330 4.527 0.538 0.000 0.342 163 F C 0.345 176.084 175.800 -0.102 0.000 1.127 163 F CA -0.677 57.269 58.000 -0.091 0.000 0.975 163 F CB 1.776 40.755 39.000 -0.036 0.000 1.146 163 F HN 0.540 nan 8.300 nan 0.000 0.444 164 A N 3.335 126.108 122.820 -0.079 0.000 2.247 164 A HA 0.642 5.292 4.320 0.550 0.000 0.313 164 A C -0.584 177.146 177.584 0.243 0.000 1.109 164 A CA -0.831 51.198 52.037 -0.014 0.000 0.890 164 A CB 0.859 19.739 19.000 -0.200 0.000 1.239 164 A HN 0.710 nan 8.150 nan 0.000 0.506 165 K N -0.019 120.559 120.400 0.297 0.000 2.201 165 K HA 0.335 4.985 4.320 0.550 0.000 0.278 165 K C -1.261 175.580 176.600 0.401 0.000 1.027 165 K CA -0.302 56.174 56.287 0.314 0.000 0.909 165 K CB 0.491 33.092 32.500 0.168 0.000 1.062 165 K HN 0.600 nan 8.250 nan 0.000 0.465 166 Y N 4.677 125.087 120.300 0.185 0.000 2.511 166 Y HA -0.084 4.343 4.550 -0.205 0.000 0.332 166 Y C 0.436 175.997 175.900 -0.565 0.000 1.177 166 Y CA 1.097 59.063 58.100 -0.224 0.000 1.422 166 Y CB 0.374 38.751 38.460 -0.137 0.000 1.271 166 Y HN 0.928 nan 8.280 nan 0.000 0.550 167 N N 2.258 119.860 118.700 -1.830 0.000 2.800 167 N HA -0.255 4.815 4.740 0.550 0.000 0.250 167 N C -1.412 173.525 175.510 -0.955 0.000 1.078 167 N CA 1.434 53.399 53.050 -1.808 0.000 0.804 167 N CB -1.045 37.007 38.487 -0.724 0.000 1.135 167 N HN 0.666 nan 8.380 nan 0.000 0.565 168 D N 0.390 120.411 120.400 -0.632 0.000 2.408 168 D HA 0.254 5.224 4.640 0.550 0.000 0.261 168 D C 1.014 177.433 176.300 0.199 0.000 1.190 168 D CA -0.593 53.357 54.000 -0.083 0.000 0.910 168 D CB 0.230 41.032 40.800 0.003 0.000 1.097 168 D HN 0.011 nan 8.370 nan 0.000 0.522 169 I N 2.377 123.137 120.570 0.317 0.000 2.361 169 I HA -0.194 4.306 4.170 0.550 0.000 0.251 169 I C 1.774 178.014 176.117 0.204 0.000 1.133 169 I CA 1.367 62.883 61.300 0.359 0.000 1.413 169 I CB 0.096 38.255 38.000 0.264 0.000 1.073 169 I HN 0.220 nan 8.210 nan 0.000 0.424 170 S N 0.124 115.911 115.700 0.144 0.000 2.368 170 S HA -0.202 4.598 4.470 0.550 0.000 0.225 170 S C 2.146 176.803 174.600 0.095 0.000 1.030 170 S CA 1.596 59.855 58.200 0.098 0.000 0.999 170 S CB -0.678 62.566 63.200 0.073 0.000 0.844 170 S HN 0.752 nan 8.310 nan 0.000 0.459 171 S N 1.344 117.113 115.700 0.115 0.000 2.423 171 S HA -0.038 4.762 4.470 0.550 0.000 0.231 171 S C 1.823 176.475 174.600 0.088 0.000 1.014 171 S CA 0.968 59.228 58.200 0.100 0.000 0.965 171 S CB -0.641 62.631 63.200 0.119 0.000 0.785 171 S HN 0.291 nan 8.310 nan 0.000 0.495 172 V N 2.302 122.298 119.914 0.137 0.000 2.323 172 V HA -0.124 4.326 4.120 0.550 0.000 0.244 172 V C 2.728 178.847 176.094 0.043 0.000 1.041 172 V CA 2.030 64.384 62.300 0.089 0.000 1.025 172 V CB -0.910 31.029 31.823 0.193 0.000 0.656 172 V HN 0.523 nan 8.190 nan 0.000 0.451 173 E N 0.301 120.537 120.200 0.060 0.000 2.085 173 E HA -0.266 4.414 4.350 0.550 0.000 0.194 173 E C 2.213 178.824 176.600 0.019 0.000 0.994 173 E CA 1.344 57.764 56.400 0.034 0.000 0.801 173 E CB -0.216 29.509 29.700 0.041 0.000 0.743 173 E HN 0.575 nan 8.360 nan 0.000 0.453 174 K N 0.348 120.763 120.400 0.025 0.000 2.209 174 K HA -0.090 4.560 4.320 0.550 0.000 0.204 174 K C 1.901 178.502 176.600 0.002 0.000 1.048 174 K CA 0.791 57.088 56.287 0.016 0.000 0.940 174 K CB 0.039 32.553 32.500 0.025 0.000 0.729 174 K HN 0.161 nan 8.250 nan 0.000 0.451 175 L N 0.586 121.803 121.223 -0.009 0.000 2.477 175 L HA 0.066 4.736 4.340 0.550 0.000 0.220 175 L C 0.486 177.331 176.870 -0.042 0.000 1.106 175 L CA -0.235 54.586 54.840 -0.031 0.000 0.851 175 L CB 0.295 42.319 42.059 -0.057 0.000 0.994 175 L HN -0.126 nan 8.230 nan 0.000 0.462 176 V N 2.295 122.188 119.914 -0.034 0.000 2.655 176 V HA 0.040 4.490 4.120 0.550 0.000 0.300 176 V C -0.108 175.965 176.094 -0.034 0.000 1.044 176 V CA 0.076 62.353 62.300 -0.039 0.000 1.095 176 V CB 0.767 32.573 31.823 -0.028 0.000 0.952 176 V HN 0.614 nan 8.190 nan 0.000 0.485 177 N N 2.381 121.056 118.700 -0.042 0.000 3.344 177 N HA 0.308 5.378 4.740 0.550 0.000 0.296 177 N C 0.284 175.770 175.510 -0.040 0.000 1.571 177 N CA -0.849 52.180 53.050 -0.035 0.000 0.844 177 N CB 0.687 39.154 38.487 -0.032 0.000 1.718 177 N HN 0.201 nan 8.380 nan 0.000 0.589 178 E N -0.388 119.791 120.200 -0.035 0.000 2.333 178 E HA -0.081 4.599 4.350 0.550 0.000 0.198 178 E C 0.331 176.903 176.600 -0.046 0.000 1.007 178 E CA 0.938 57.315 56.400 -0.037 0.000 0.845 178 E CB -0.045 29.636 29.700 -0.032 0.000 0.766 178 E HN 0.424 nan 8.360 nan 0.000 0.507 179 K N 0.097 120.465 120.400 -0.054 0.000 2.361 179 K HA 0.090 4.740 4.320 0.550 0.000 0.194 179 K C 0.478 177.015 176.600 -0.105 0.000 1.032 179 K CA 0.124 56.370 56.287 -0.067 0.000 1.048 179 K CB 0.115 32.581 32.500 -0.056 0.000 0.842 179 K HN -0.038 nan 8.250 nan 0.000 0.526 180 T N 1.865 116.356 114.554 -0.106 0.000 2.829 180 T HA -0.009 4.671 4.350 0.550 0.000 0.293 180 T C 1.399 176.001 174.700 -0.164 0.000 0.970 180 T CA 0.006 62.017 62.100 -0.149 0.000 1.168 180 T CB 0.313 69.114 68.868 -0.113 0.000 0.911 180 T HN 0.409 nan 8.240 nan 0.000 0.535 181 C N 1.595 120.730 119.300 -0.276 0.000 3.097 181 C HA 0.779 5.569 4.460 0.550 0.000 0.335 181 C C 0.786 175.625 174.990 -0.251 0.000 1.283 181 C CA -0.026 58.849 59.018 -0.238 0.000 1.778 181 C CB -0.919 26.654 27.740 -0.279 0.000 2.365 181 C HN 0.972 nan 8.230 nan 0.000 0.627 182 A N 0.358 122.986 122.820 -0.319 0.000 2.594 182 A HA 0.790 5.440 4.320 0.550 0.000 0.295 182 A C -1.458 176.086 177.584 -0.068 0.000 1.071 182 A CA -0.383 51.558 52.037 -0.160 0.000 0.685 182 A CB 0.747 19.706 19.000 -0.069 0.000 1.285 182 A HN 0.380 nan 8.150 nan 0.000 0.405 183 I N 2.121 122.686 120.570 -0.007 0.000 2.389 183 I HA 0.484 4.984 4.170 0.550 0.000 0.288 183 I C -0.683 175.505 176.117 0.118 0.000 0.999 183 I CA -0.383 60.941 61.300 0.040 0.000 1.129 183 I CB 1.650 39.680 38.000 0.051 0.000 1.288 183 I HN 0.661 nan 8.210 nan 0.000 0.444 184 I N 8.294 128.957 120.570 0.155 0.000 2.433 184 I HA 0.625 5.125 4.170 0.550 0.000 0.292 184 I C -1.334 175.010 176.117 0.379 0.000 1.001 184 I CA -0.675 60.720 61.300 0.159 0.000 1.119 184 I CB 1.438 39.411 38.000 -0.045 0.000 1.289 184 I HN 0.566 nan 8.210 nan 0.000 0.438 185 L N 3.640 125.085 121.223 0.371 0.000 2.434 185 L HA 0.654 5.324 4.340 0.550 0.000 0.260 185 L C -1.220 175.899 176.870 0.414 0.000 0.983 185 L CA -0.838 54.277 54.840 0.459 0.000 0.820 185 L CB 2.010 44.185 42.059 0.193 0.000 1.361 185 L HN 0.518 nan 8.230 nan 0.000 0.410 186 E N 1.112 121.567 120.200 0.426 0.000 2.344 186 E HA 0.150 4.830 4.350 0.550 0.000 0.270 186 E C 0.409 177.204 176.600 0.325 0.000 1.021 186 E CA -0.120 56.471 56.400 0.317 0.000 0.887 186 E CB 1.466 31.267 29.700 0.167 0.000 0.997 186 E HN 0.705 nan 8.360 nan 0.000 0.429 187 S N 1.317 117.228 115.700 0.352 0.000 2.423 187 S HA -0.040 4.760 4.470 0.550 0.000 0.231 187 S C 0.489 175.288 174.600 0.332 0.000 1.014 187 S CA 0.410 58.852 58.200 0.404 0.000 0.965 187 S CB 0.320 63.846 63.200 0.543 0.000 0.785 187 S HN 0.269 nan 8.310 nan 0.000 0.495 188 V N 2.109 122.174 119.914 0.250 0.000 2.488 188 V HA 0.248 4.698 4.120 0.550 0.000 0.293 188 V C -0.521 175.606 176.094 0.055 0.000 1.027 188 V CA -0.887 61.511 62.300 0.163 0.000 0.862 188 V CB 1.668 33.567 31.823 0.126 0.000 1.008 188 V HN 0.192 nan 8.190 nan 0.000 0.428 189 Q N 2.027 121.756 119.800 -0.119 0.000 2.300 189 Q HA 0.319 4.989 4.340 0.550 0.000 0.280 189 Q C 0.935 176.883 176.000 -0.088 0.000 1.033 189 Q CA 0.819 56.499 55.803 -0.206 0.000 0.903 189 Q CB 1.540 29.988 28.738 -0.484 0.000 1.195 189 Q HN 0.959 nan 8.270 nan 0.000 0.386 190 G N 1.759 110.536 108.800 -0.039 0.000 2.495 190 G HA2 -0.085 4.205 3.960 0.550 0.000 0.219 190 G HA3 -0.085 4.205 3.960 0.550 0.000 0.219 190 G C 0.703 175.585 174.900 -0.029 0.000 1.875 190 G CA -0.145 44.949 45.100 -0.009 0.000 0.757 190 G HN 0.562 nan 8.290 nan 0.000 0.682 191 E N 0.939 121.118 120.200 -0.035 0.000 2.208 191 E HA -0.147 4.533 4.350 0.550 0.000 0.202 191 E C 2.295 178.861 176.600 -0.058 0.000 1.014 191 E CA 1.401 57.745 56.400 -0.093 0.000 0.819 191 E CB -0.527 29.027 29.700 -0.243 0.000 0.735 191 E HN 0.373 nan 8.360 nan 0.000 0.469 192 G N -0.070 108.711 108.800 -0.031 0.000 3.088 192 G HA2 0.322 4.612 3.960 0.550 0.000 0.212 192 G HA3 0.322 4.612 3.960 0.550 0.000 0.212 192 G C 0.394 175.250 174.900 -0.073 0.000 1.173 192 G CA 0.342 45.441 45.100 -0.002 0.000 0.779 192 G HN 0.414 nan 8.290 nan 0.000 0.540 193 G N 0.360 109.111 108.800 -0.081 0.000 3.326 193 G HA2 -0.052 4.238 3.960 0.550 0.000 0.681 193 G HA3 -0.052 4.238 3.960 0.550 0.000 0.681 193 G C -0.386 174.458 174.900 -0.094 0.000 1.255 193 G CA -1.106 43.934 45.100 -0.100 0.000 0.976 193 G HN 0.209 nan 8.290 nan 0.000 0.563 194 I N 2.041 122.584 120.570 -0.045 0.000 2.752 194 I HA 0.143 4.643 4.170 0.550 0.000 0.286 194 I C 0.550 176.644 176.117 -0.039 0.000 1.180 194 I CA 0.262 61.549 61.300 -0.022 0.000 1.404 194 I CB 0.553 38.571 38.000 0.030 0.000 1.389 194 I HN 0.555 nan 8.210 nan 0.000 0.549 195 N N 8.761 127.427 118.700 -0.057 0.000 2.629 195 N HA 0.380 5.450 4.740 0.550 0.000 0.277 195 N C -2.975 172.568 175.510 0.056 0.000 1.188 195 N CA -1.469 51.558 53.050 -0.037 0.000 0.835 195 N CB 2.078 40.486 38.487 -0.131 0.000 1.420 195 N HN 0.087 nan 8.380 nan 0.000 0.542 196 P HA 0.230 nan 4.420 nan 0.000 0.276 196 P C -0.663 176.792 177.300 0.258 0.000 1.230 196 P CA -0.375 62.827 63.100 0.171 0.000 0.776 196 P CB 0.647 32.404 31.700 0.095 0.000 0.888 197 A N 3.838 126.826 122.820 0.279 0.000 2.520 197 A HA 0.092 4.742 4.320 0.550 0.000 0.245 197 A C 0.438 178.096 177.584 0.124 0.000 1.072 197 A CA -0.020 52.058 52.037 0.068 0.000 0.761 197 A CB -0.582 18.343 19.000 -0.125 0.000 1.004 197 A HN 0.481 nan 8.150 nan 0.000 0.499 198 N N 1.652 120.401 118.700 0.082 0.000 2.518 198 N HA 0.041 5.111 4.740 0.550 0.000 0.266 198 N C 1.104 176.737 175.510 0.205 0.000 1.196 198 N CA -0.100 53.025 53.050 0.125 0.000 0.947 198 N CB 1.121 39.653 38.487 0.076 0.000 1.098 198 N HN 0.796 nan 8.380 nan 0.000 0.450 199 K N 1.359 121.871 120.400 0.187 0.000 2.034 199 K HA -0.237 4.413 4.320 0.550 0.000 0.214 199 K C 0.413 177.120 176.600 0.178 0.000 1.051 199 K CA 1.758 58.162 56.287 0.195 0.000 0.931 199 K CB 0.108 32.693 32.500 0.141 0.000 0.715 199 K HN 0.427 nan 8.250 nan 0.000 0.446 200 D N -0.409 120.078 120.400 0.146 0.000 2.144 200 D HA -0.154 4.816 4.640 0.550 0.000 0.199 200 D C 1.627 178.018 176.300 0.151 0.000 0.984 200 D CA 0.831 54.907 54.000 0.126 0.000 0.834 200 D CB -0.217 40.646 40.800 0.105 0.000 0.955 200 D HN 0.236 nan 8.370 nan 0.000 0.465 201 F N 0.366 120.320 119.950 0.008 0.000 2.146 201 F HA -0.218 4.738 4.527 0.715 0.000 0.298 201 F C 2.113 177.907 175.800 -0.010 0.000 1.096 201 F CA 1.021 58.991 58.000 -0.050 0.000 1.275 201 F CB -0.419 38.479 39.000 -0.170 0.000 1.008 201 F HN -0.114 nan 8.300 nan 0.000 0.480 202 Y N 1.384 121.588 120.300 -0.160 0.000 2.181 202 Y HA -0.158 4.745 4.550 0.589 0.000 0.288 202 Y C 2.377 178.177 175.900 -0.167 0.000 1.146 202 Y CA 1.689 59.657 58.100 -0.220 0.000 1.164 202 Y CB -0.669 37.772 38.460 -0.032 0.000 0.982 202 Y HN 0.084 nan 8.280 nan 0.000 0.515 203 K N -0.832 119.628 120.400 0.099 0.000 2.097 203 K HA -0.107 4.543 4.320 0.550 0.000 0.205 203 K C 2.305 178.901 176.600 -0.006 0.000 1.050 203 K CA 1.065 57.374 56.287 0.036 0.000 0.938 203 K CB -0.287 32.240 32.500 0.044 0.000 0.718 203 K HN 0.235 nan 8.250 nan 0.000 0.442 204 A N 1.356 124.158 122.820 -0.029 0.000 1.930 204 A HA -0.096 4.554 4.320 0.550 0.000 0.217 204 A C 2.088 179.615 177.584 -0.094 0.000 1.175 204 A CA 1.088 53.099 52.037 -0.043 0.000 0.627 204 A CB -0.520 18.477 19.000 -0.005 0.000 0.815 204 A HN 0.139 nan 8.150 nan 0.000 0.443 205 L N -1.247 119.854 121.223 -0.202 0.000 2.027 205 L HA -0.176 4.494 4.340 0.550 0.000 0.206 205 L C 2.786 179.612 176.870 -0.073 0.000 1.074 205 L CA 1.708 56.437 54.840 -0.186 0.000 0.745 205 L CB -0.417 41.453 42.059 -0.316 0.000 0.898 205 L HN 0.386 nan 8.230 nan 0.000 0.433 206 R N 0.927 121.402 120.500 -0.042 0.000 2.083 206 R HA -0.212 4.458 4.340 0.550 0.000 0.237 206 R C 2.246 178.524 176.300 -0.037 0.000 1.137 206 R CA 1.833 57.910 56.100 -0.038 0.000 0.951 206 R CB -0.375 29.900 30.300 -0.042 0.000 0.851 206 R HN 0.178 nan 8.270 nan 0.000 0.434 207 K N -0.308 120.075 120.400 -0.029 0.000 2.026 207 K HA -0.167 4.483 4.320 0.550 0.000 0.208 207 K C 1.965 178.553 176.600 -0.020 0.000 1.048 207 K CA 1.690 57.965 56.287 -0.020 0.000 0.929 207 K CB -0.362 32.131 32.500 -0.011 0.000 0.713 207 K HN 0.207 nan 8.250 nan 0.000 0.439 208 L N 1.373 122.582 121.223 -0.023 0.000 2.012 208 L HA -0.206 4.464 4.340 0.550 0.000 0.210 208 L C 2.165 179.021 176.870 -0.023 0.000 1.073 208 L CA 1.798 56.627 54.840 -0.019 0.000 0.748 208 L CB -0.808 41.240 42.059 -0.018 0.000 0.891 208 L HN 0.324 nan 8.230 nan 0.000 0.431 209 C N -0.096 119.185 119.300 -0.032 0.000 2.425 209 C HA -0.124 4.666 4.460 0.550 0.000 0.277 209 C C 2.351 177.322 174.990 -0.033 0.000 1.280 209 C CA 0.690 59.686 59.018 -0.038 0.000 1.744 209 C CB -1.170 26.541 27.740 -0.049 0.000 1.989 209 C HN 0.597 nan 8.230 nan 0.000 0.491 210 D N 0.728 121.110 120.400 -0.030 0.000 2.097 210 D HA -0.116 4.854 4.640 0.550 0.000 0.195 210 D C 2.113 178.407 176.300 -0.011 0.000 0.989 210 D CA 1.258 55.245 54.000 -0.022 0.000 0.827 210 D CB -0.458 40.330 40.800 -0.022 0.000 0.966 210 D HN 0.617 nan 8.370 nan 0.000 0.456 211 E N 0.008 120.202 120.200 -0.011 0.000 2.208 211 E HA -0.068 4.612 4.350 0.550 0.000 0.193 211 E C 1.372 177.969 176.600 -0.005 0.000 0.988 211 E CA 0.661 57.057 56.400 -0.007 0.000 0.828 211 E CB 0.229 29.926 29.700 -0.006 0.000 0.763 211 E HN 0.103 nan 8.360 nan 0.000 0.478 212 K N 0.688 121.083 120.400 -0.008 0.000 2.358 212 K HA 0.017 4.667 4.320 0.550 0.000 0.200 212 K C -0.207 176.395 176.600 0.003 0.000 1.030 212 K CA 0.084 56.366 56.287 -0.007 0.000 1.097 212 K CB 0.494 32.985 32.500 -0.015 0.000 0.862 212 K HN -0.032 nan 8.250 nan 0.000 0.534 213 D N 1.393 121.800 120.400 0.012 0.000 2.697 213 D HA -0.194 4.776 4.640 0.550 0.000 0.238 213 D C -0.950 175.375 176.300 0.042 0.000 1.152 213 D CA 0.453 54.480 54.000 0.045 0.000 0.666 213 D CB -1.401 39.448 40.800 0.082 0.000 1.037 213 D HN 0.273 nan 8.370 nan 0.000 0.423 214 I N 0.802 121.363 120.570 -0.016 0.000 2.412 214 I HA 0.269 4.769 4.170 0.550 0.000 0.296 214 I C 0.787 176.843 176.117 -0.101 0.000 0.987 214 I CA -1.179 60.090 61.300 -0.052 0.000 1.180 214 I CB 1.450 39.418 38.000 -0.054 0.000 1.340 214 I HN -0.035 nan 8.210 nan 0.000 0.455 215 L N 6.072 127.201 121.223 -0.156 0.000 2.360 215 L HA 0.194 4.864 4.340 0.550 0.000 0.276 215 L C -0.291 176.515 176.870 -0.107 0.000 1.121 215 L CA -0.519 54.204 54.840 -0.196 0.000 0.845 215 L CB 0.717 42.612 42.059 -0.273 0.000 1.143 215 L HN 0.378 nan 8.230 nan 0.000 0.452 216 L N 6.265 127.432 121.223 -0.093 0.000 2.278 216 L HA 0.379 5.049 4.340 0.550 0.000 0.287 216 L C -0.176 176.672 176.870 -0.037 0.000 1.072 216 L CA 0.310 55.127 54.840 -0.040 0.000 0.819 216 L CB 0.427 42.464 42.059 -0.037 0.000 1.176 216 L HN 0.331 nan 8.230 nan 0.000 0.435 217 I N 5.690 126.270 120.570 0.017 0.000 2.330 217 I HA 0.438 4.938 4.170 0.550 0.000 0.289 217 I C 0.173 176.346 176.117 0.093 0.000 1.001 217 I CA -0.625 60.690 61.300 0.024 0.000 1.193 217 I CB 1.436 39.449 38.000 0.022 0.000 1.345 217 I HN 0.723 nan 8.210 nan 0.000 0.461 218 A N 4.866 127.740 122.820 0.089 0.000 2.252 218 A HA 0.276 4.926 4.320 0.550 0.000 0.309 218 A C -0.356 177.366 177.584 0.231 0.000 1.285 218 A CA -0.445 51.725 52.037 0.221 0.000 0.900 218 A CB 0.313 19.452 19.000 0.230 0.000 1.157 218 A HN 0.680 nan 8.150 nan 0.000 0.536 219 D N 2.548 123.114 120.400 0.278 0.000 2.365 219 D HA 0.148 5.118 4.640 0.550 0.000 0.237 219 D C 0.226 176.711 176.300 0.309 0.000 1.190 219 D CA 0.107 54.274 54.000 0.278 0.000 0.867 219 D CB 0.666 41.680 40.800 0.357 0.000 1.050 219 D HN 0.511 nan 8.370 nan 0.000 0.491 220 E N 3.687 124.071 120.200 0.308 0.000 2.569 220 E HA 0.102 4.782 4.350 0.550 0.000 0.205 220 E C 1.635 178.422 176.600 0.312 0.000 1.006 220 E CA -0.214 56.403 56.400 0.361 0.000 0.985 220 E CB 0.492 30.500 29.700 0.513 0.000 1.060 220 E HN 0.637 nan 8.360 nan 0.000 0.460 221 I N 0.999 121.721 120.570 0.252 0.000 2.208 221 I HA -0.331 4.169 4.170 0.550 0.000 0.245 221 I C 2.416 178.643 176.117 0.184 0.000 1.097 221 I CA 1.382 62.809 61.300 0.212 0.000 1.363 221 I CB 0.034 38.148 38.000 0.190 0.000 1.051 221 I HN 0.084 nan 8.210 nan 0.000 0.413 222 Q N -0.194 119.713 119.800 0.177 0.000 2.204 222 Q HA -0.054 4.616 4.340 0.550 0.000 0.198 222 Q C 2.332 178.411 176.000 0.131 0.000 0.946 222 Q CA 1.583 57.471 55.803 0.141 0.000 0.859 222 Q CB -0.158 28.657 28.738 0.129 0.000 0.946 222 Q HN 0.697 nan 8.270 nan 0.000 0.474 223 C N -0.959 118.436 119.300 0.159 0.000 2.799 223 C HA 0.547 5.337 4.460 0.550 0.000 0.267 223 C C 1.308 176.375 174.990 0.128 0.000 1.257 223 C CA -0.455 58.647 59.018 0.141 0.000 1.702 223 C CB -0.862 26.977 27.740 0.166 0.000 1.934 223 C HN 0.216 nan 8.230 nan 0.000 0.594 227 R N 1.585 122.024 120.500 -0.102 0.000 2.152 227 R HA -0.069 4.601 4.340 0.550 0.000 0.232 227 R C 2.457 178.718 176.300 -0.065 0.000 1.117 227 R CA 2.244 58.304 56.100 -0.067 0.000 0.981 227 R CB -0.060 30.255 30.300 0.024 0.000 0.870 227 R HN 0.409 nan 8.270 nan 0.000 0.451 228 S N -1.871 113.806 115.700 -0.037 0.000 2.562 228 S HA 0.159 4.959 4.470 0.550 0.000 0.221 228 S C 1.312 175.938 174.600 0.044 0.000 0.975 228 S CA 0.413 58.618 58.200 0.008 0.000 0.918 228 S CB 0.721 63.974 63.200 0.087 0.000 0.772 228 S HN 0.582 nan 8.310 nan 0.000 0.531 229 G N 0.486 109.237 108.800 -0.082 0.000 2.232 229 G HA2 -0.201 4.089 3.960 0.550 0.000 0.226 229 G HA3 -0.201 4.089 3.960 0.550 0.000 0.226 229 G C -0.042 174.773 174.900 -0.142 0.000 0.996 229 G CA 0.101 45.127 45.100 -0.122 0.000 0.626 229 G HN 0.604 nan 8.290 nan 0.000 0.509 230 K N -1.147 119.197 120.400 -0.094 0.000 2.350 230 K HA 0.705 5.355 4.320 0.550 0.000 0.241 230 K C 0.640 177.108 176.600 -0.221 0.000 0.994 230 K CA -1.172 54.996 56.287 -0.199 0.000 0.839 230 K CB 1.125 33.473 32.500 -0.254 0.000 1.244 230 K HN -0.117 nan 8.250 nan 0.000 0.443 231 F N 0.771 120.620 119.950 -0.168 0.000 2.065 231 F HA -0.092 4.764 4.527 0.548 0.000 0.298 231 F C 0.640 175.962 175.800 -0.796 0.000 1.112 231 F CA 1.581 59.355 58.000 -0.377 0.000 1.212 231 F CB -0.004 38.875 39.000 -0.202 0.000 0.975 231 F HN 0.284 nan 8.300 nan 0.000 0.476 232 F N -2.040 117.903 119.950 -0.010 0.000 2.540 232 F HA 0.524 5.378 4.527 0.545 0.000 0.317 232 F C 0.854 176.488 175.800 -0.276 0.000 1.104 232 F CA -0.929 56.922 58.000 -0.249 0.000 0.913 232 F CB 1.144 39.771 39.000 -0.622 0.000 1.170 232 F HN -0.201 nan 8.300 nan 0.000 0.450 233 A N 2.398 125.271 122.820 0.088 0.000 1.978 233 A HA -0.227 4.423 4.320 0.550 0.000 0.220 233 A C 1.823 179.555 177.584 0.247 0.000 1.170 233 A CA 2.001 54.179 52.037 0.235 0.000 0.636 233 A CB -1.335 17.815 19.000 0.250 0.000 0.810 233 A HN 0.884 nan 8.150 nan 0.000 0.448 234 Y N -0.297 120.145 120.300 0.238 0.000 2.403 234 Y HA -0.050 4.826 4.550 0.543 0.000 0.291 234 Y C 1.614 177.482 175.900 -0.054 0.000 1.143 234 Y CA 0.936 59.004 58.100 -0.054 0.000 1.257 234 Y CB -0.998 37.279 38.460 -0.305 0.000 0.984 234 Y HN 0.424 nan 8.280 nan 0.000 0.550 235 E N -0.062 120.117 120.200 -0.035 0.000 2.204 235 E HA -0.203 4.477 4.350 0.550 0.000 0.195 235 E C 1.409 177.980 176.600 -0.048 0.000 0.990 235 E CA 1.339 57.728 56.400 -0.020 0.000 0.821 235 E CB -0.338 29.294 29.700 -0.114 0.000 0.750 235 E HN 0.744 nan 8.360 nan 0.000 0.477 236 H N -0.387 118.705 119.070 0.037 0.000 2.491 236 H HA 0.025 4.914 4.556 0.555 0.000 0.290 236 H C 1.601 176.969 175.328 0.066 0.000 1.050 236 H CA 1.150 57.229 56.048 0.053 0.000 1.309 236 H CB 0.212 30.017 29.762 0.071 0.000 1.392 236 H HN 0.141 nan 8.280 nan 0.000 0.554 237 A N -0.018 122.896 122.820 0.157 0.000 2.308 237 A HA 0.047 4.697 4.320 0.550 0.000 0.217 237 A C 0.651 178.257 177.584 0.036 0.000 1.216 237 A CA -0.065 52.035 52.037 0.105 0.000 0.864 237 A CB 0.116 19.178 19.000 0.103 0.000 0.902 237 A HN 0.428 nan 8.150 nan 0.000 0.499 238 Q N -1.068 118.749 119.800 0.028 0.000 2.434 238 Q HA -0.230 4.440 4.340 0.550 0.000 0.299 238 Q C -0.321 175.671 176.000 -0.013 0.000 1.286 238 Q CA 0.951 56.762 55.803 0.014 0.000 0.872 238 Q CB -1.828 26.919 28.738 0.015 0.000 1.193 238 Q HN 0.914 nan 8.270 nan 0.000 0.466 239 I N -3.592 116.945 120.570 -0.054 0.000 3.067 239 I HA 0.730 5.230 4.170 0.550 0.000 0.312 239 I C -0.606 175.423 176.117 -0.146 0.000 1.073 239 I CA -1.249 59.979 61.300 -0.119 0.000 1.016 239 I CB 1.461 39.338 38.000 -0.206 0.000 1.227 239 I HN -0.006 nan 8.210 nan 0.000 0.456 240 L N 3.294 124.394 121.223 -0.205 0.000 2.385 240 L HA 0.649 5.319 4.340 0.550 0.000 0.273 240 L C -2.373 174.271 176.870 -0.377 0.000 0.990 240 L CA -1.629 53.019 54.840 -0.320 0.000 0.821 240 L CB 2.226 44.184 42.059 -0.169 0.000 1.279 240 L HN 0.531 nan 8.230 nan 0.000 0.412 241 P HA 0.157 nan 4.420 nan 0.000 0.276 241 P C -0.603 176.544 177.300 -0.254 0.000 1.261 241 P CA -0.341 62.540 63.100 -0.365 0.000 0.800 241 P CB 1.458 32.901 31.700 -0.427 0.000 1.066 242 D N -0.506 119.784 120.400 -0.183 0.000 2.213 242 D HA 0.122 5.092 4.640 0.550 0.000 0.205 242 D C 1.014 177.235 176.300 -0.131 0.000 0.961 242 D CA 1.210 55.113 54.000 -0.162 0.000 0.853 242 D CB 0.439 41.125 40.800 -0.191 0.000 0.967 242 D HN 0.338 nan 8.370 nan 0.000 0.496 246 S N 0.595 116.397 115.700 0.170 0.000 2.549 246 S HA 0.994 5.794 4.470 0.550 0.000 0.280 246 S C -0.440 174.286 174.600 0.209 0.000 1.109 246 S CA 0.285 58.631 58.200 0.243 0.000 0.905 246 S CB 1.306 64.693 63.200 0.312 0.000 1.081 246 S HN 1.940 nan 8.310 nan 0.000 0.477 247 A N 2.887 125.827 122.820 0.199 0.000 4.028 247 A HA 0.757 5.407 4.320 0.550 0.000 0.281 247 A C 0.128 177.789 177.584 0.129 0.000 1.061 247 A CA 0.127 52.263 52.037 0.164 0.000 0.580 247 A CB -0.439 18.654 19.000 0.155 0.000 1.662 247 A HN 0.915 nan 8.150 nan 0.000 0.781 248 K N -2.404 118.062 120.400 0.109 0.000 4.289 248 K HA -0.362 4.288 4.320 0.550 0.000 0.230 248 K C 1.605 178.230 176.600 0.041 0.000 0.717 248 K CA 1.920 58.255 56.287 0.081 0.000 0.703 248 K CB -1.735 30.819 32.500 0.089 0.000 0.779 248 K HN 1.639 nan 8.250 nan 0.000 0.801 249 A N 0.961 123.793 122.820 0.020 0.000 2.125 249 A HA -0.093 4.557 4.320 0.550 0.000 0.219 249 A C 1.938 179.450 177.584 -0.120 0.000 1.156 249 A CA 1.793 53.803 52.037 -0.046 0.000 0.671 249 A CB -0.352 18.634 19.000 -0.023 0.000 0.794 249 A HN 0.403 nan 8.150 nan 0.000 0.459 250 L N -0.456 120.739 121.223 -0.047 0.000 2.129 250 L HA -0.098 4.572 4.340 0.550 0.000 0.212 250 L C 1.950 178.775 176.870 -0.076 0.000 1.087 250 L CA 2.275 57.080 54.840 -0.058 0.000 0.757 250 L CB -0.457 41.666 42.059 0.105 0.000 0.896 250 L HN 0.285 nan 8.230 nan 0.000 0.434 251 G N -4.021 104.768 108.800 -0.018 0.000 3.228 251 G HA2 0.029 4.319 3.960 0.550 0.000 0.245 251 G HA3 0.029 4.319 3.960 0.550 0.000 0.245 251 G C 0.747 175.678 174.900 0.051 0.000 1.051 251 G CA 0.451 45.576 45.100 0.041 0.000 0.809 251 G HN 0.316 nan 8.290 nan 0.000 0.531 252 C N 0.098 119.344 119.300 -0.089 0.000 3.989 252 C HA -0.087 4.703 4.460 0.550 0.000 0.297 252 C C 2.034 177.027 174.990 0.004 0.000 1.435 252 C CA 0.885 59.795 59.018 -0.180 0.000 2.040 252 C CB -1.751 25.624 27.740 -0.608 0.000 1.308 252 C HN 1.541 nan 8.230 nan 0.000 0.704 253 G N -1.850 106.999 108.800 0.082 0.000 2.428 253 G HA2 -0.145 4.145 3.960 0.550 0.000 0.199 253 G HA3 -0.145 4.145 3.960 0.550 0.000 0.199 253 G C -0.019 174.968 174.900 0.145 0.000 1.005 253 G CA -0.056 45.126 45.100 0.136 0.000 0.671 253 G HN 0.607 nan 8.290 nan 0.000 0.485 254 L N 2.332 123.653 121.223 0.162 0.000 2.371 254 L HA 0.521 5.191 4.340 0.550 0.000 0.272 254 L C 0.538 177.466 176.870 0.096 0.000 1.124 254 L CA -0.503 54.409 54.840 0.119 0.000 0.816 254 L CB 1.498 43.627 42.059 0.116 0.000 1.129 254 L HN 0.108 nan 8.230 nan 0.000 0.448 255 S N 2.481 118.231 115.700 0.083 0.000 2.437 255 S HA 0.331 5.131 4.470 0.550 0.000 0.304 255 S C -0.253 174.403 174.600 0.092 0.000 1.167 255 S CA -0.234 58.017 58.200 0.086 0.000 1.106 255 S CB 0.350 63.597 63.200 0.077 0.000 1.099 255 S HN 0.392 nan 8.310 nan 0.000 0.524 256 V N 2.865 122.845 119.914 0.110 0.000 3.077 256 V HA 0.883 5.333 4.120 0.550 0.000 0.299 256 V C -0.288 175.912 176.094 0.177 0.000 1.276 256 V CA -0.199 62.182 62.300 0.136 0.000 0.993 256 V CB 2.230 34.112 31.823 0.098 0.000 1.076 256 V HN 0.836 nan 8.190 nan 0.000 0.434 257 G N 2.756 111.696 108.800 0.234 0.000 2.672 257 G HA2 1.021 5.311 3.960 0.550 0.000 0.292 257 G HA3 1.021 5.311 3.960 0.550 0.000 0.292 257 G C -1.169 173.898 174.900 0.278 0.000 1.375 257 G CA -0.194 45.046 45.100 0.233 0.000 0.890 257 G HN 1.702 nan 8.290 nan 0.000 0.476 258 A N -0.390 122.546 122.820 0.194 0.000 2.574 258 A HA 0.818 5.468 4.320 0.550 0.000 0.297 258 A C -1.355 176.270 177.584 0.069 0.000 1.062 258 A CA -0.761 51.302 52.037 0.043 0.000 0.686 258 A CB 1.208 20.134 19.000 -0.124 0.000 1.285 258 A HN 1.850 nan 8.150 nan 0.000 0.403 259 F N 0.462 120.359 119.950 -0.088 0.000 2.493 259 F HA 0.806 5.662 4.527 0.549 0.000 0.329 259 F C -0.964 174.797 175.800 -0.066 0.000 1.126 259 F CA -1.119 56.836 58.000 -0.075 0.000 0.937 259 F CB 1.545 40.486 39.000 -0.097 0.000 1.146 259 F HN 0.281 nan 8.300 nan 0.000 0.442 260 V N 5.650 125.538 119.914 -0.044 0.000 2.495 260 V HA 0.574 5.024 4.120 0.550 0.000 0.298 260 V C 0.108 176.182 176.094 -0.034 0.000 1.031 260 V CA -0.873 61.335 62.300 -0.154 0.000 0.871 260 V CB 1.664 33.353 31.823 -0.222 0.000 0.988 260 V HN 0.911 nan 8.190 nan 0.000 0.432 261 I N 1.603 122.163 120.570 -0.016 0.000 2.740 261 I HA 0.727 5.227 4.170 0.550 0.000 0.303 261 I C -0.199 175.900 176.117 -0.031 0.000 1.044 261 I CA -0.748 60.567 61.300 0.025 0.000 1.064 261 I CB 2.259 40.348 38.000 0.149 0.000 1.249 261 I HN 0.676 nan 8.210 nan 0.000 0.433 262 N N 3.457 122.130 118.700 -0.046 0.000 2.379 262 N HA 0.061 5.131 4.740 0.550 0.000 0.260 262 N C 0.544 176.046 175.510 -0.014 0.000 1.254 262 N CA -0.228 52.790 53.050 -0.053 0.000 0.958 262 N CB 0.532 38.974 38.487 -0.076 0.000 1.208 262 N HN 0.817 nan 8.380 nan 0.000 0.532 263 Q N -0.036 119.756 119.800 -0.013 0.000 2.135 263 Q HA -0.168 4.502 4.340 0.550 0.000 0.204 263 Q C 1.736 177.762 176.000 0.043 0.000 0.981 263 Q CA 1.905 57.718 55.803 0.016 0.000 0.856 263 Q CB -0.264 28.478 28.738 0.008 0.000 0.902 263 Q HN 0.784 nan 8.270 nan 0.000 0.425 264 K N -1.080 119.339 120.400 0.032 0.000 2.057 264 K HA -0.113 4.537 4.320 0.550 0.000 0.207 264 K C 1.758 178.443 176.600 0.141 0.000 1.049 264 K CA 1.545 57.876 56.287 0.073 0.000 0.931 264 K CB -0.044 32.481 32.500 0.042 0.000 0.714 264 K HN 0.153 nan 8.250 nan 0.000 0.440 265 V N 1.084 121.042 119.914 0.072 0.000 2.379 265 V HA -0.155 4.295 4.120 0.550 0.000 0.245 265 V C 2.423 178.622 176.094 0.175 0.000 1.044 265 V CA 1.742 64.114 62.300 0.120 0.000 1.036 265 V CB -0.479 31.337 31.823 -0.012 0.000 0.664 265 V HN 0.503 nan 8.190 nan 0.000 0.453 266 A N 0.984 123.883 122.820 0.133 0.000 1.883 266 A HA -0.221 4.429 4.320 0.550 0.000 0.217 266 A C 2.454 180.119 177.584 0.135 0.000 1.186 266 A CA 2.389 54.515 52.037 0.149 0.000 0.624 266 A CB -0.782 18.295 19.000 0.129 0.000 0.822 266 A HN 0.688 nan 8.150 nan 0.000 0.444 267 S N -0.684 115.085 115.700 0.116 0.000 2.561 267 S HA -0.048 4.752 4.470 0.550 0.000 0.225 267 S C 1.239 175.887 174.600 0.081 0.000 0.977 267 S CA 1.037 59.292 58.200 0.092 0.000 0.926 267 S CB -0.391 62.853 63.200 0.073 0.000 0.769 267 S HN 0.554 nan 8.310 nan 0.000 0.533 268 N N 1.421 120.189 118.700 0.113 0.000 2.236 268 N HA 0.156 5.226 4.740 0.550 0.000 0.196 268 N C -0.432 175.114 175.510 0.060 0.000 1.114 268 N CA -0.037 53.049 53.050 0.061 0.000 0.859 268 N CB 0.582 39.089 38.487 0.033 0.000 0.982 268 N HN 0.353 nan 8.380 nan 0.000 0.493 269 S N -0.055 115.701 115.700 0.093 0.000 2.561 269 S HA 0.278 5.078 4.470 0.550 0.000 0.303 269 S C 0.743 175.385 174.600 0.069 0.000 1.110 269 S CA -0.737 57.511 58.200 0.080 0.000 1.034 269 S CB 0.689 63.946 63.200 0.094 0.000 1.010 269 S HN 0.138 nan 8.310 nan 0.000 0.482 270 L N 5.278 126.531 121.223 0.051 0.000 2.042 270 L HA 0.025 4.695 4.340 0.550 0.000 0.210 270 L C 1.913 178.817 176.870 0.057 0.000 1.076 270 L CA 2.232 57.099 54.840 0.045 0.000 0.749 270 L CB -0.775 41.303 42.059 0.031 0.000 0.893 270 L HN 0.788 nan 8.230 nan 0.000 0.432 271 E N -0.250 119.982 120.200 0.054 0.000 2.072 271 E HA -0.040 4.640 4.350 0.550 0.000 0.190 271 E C 2.218 178.880 176.600 0.104 0.000 0.982 271 E CA 1.330 57.766 56.400 0.061 0.000 0.803 271 E CB -0.565 29.152 29.700 0.028 0.000 0.755 271 E HN 0.588 nan 8.360 nan 0.000 0.453 272 A N 0.552 123.433 122.820 0.101 0.000 1.930 272 A HA -0.003 4.647 4.320 0.550 0.000 0.217 272 A C 2.371 180.112 177.584 0.263 0.000 1.175 272 A CA 1.561 53.719 52.037 0.202 0.000 0.627 272 A CB -0.987 18.104 19.000 0.153 0.000 0.815 272 A HN 0.336 nan 8.150 nan 0.000 0.443 273 G N -0.619 108.289 108.800 0.181 0.000 2.511 273 G HA2 -0.051 4.239 3.960 0.550 0.000 0.217 273 G HA3 -0.051 4.239 3.960 0.550 0.000 0.217 273 G C 0.508 175.532 174.900 0.207 0.000 1.133 273 G CA 0.597 45.803 45.100 0.178 0.000 0.792 273 G HN 0.480 nan 8.290 nan 0.000 0.539 274 D N 0.194 120.694 120.400 0.166 0.000 2.434 274 D HA -0.016 4.954 4.640 0.550 0.000 0.252 274 D C 1.028 177.485 176.300 0.263 0.000 1.185 274 D CA -0.274 53.811 54.000 0.142 0.000 0.886 274 D CB 0.464 41.330 40.800 0.110 0.000 1.148 274 D HN 0.154 nan 8.370 nan 0.000 0.483 275 H N 2.607 121.718 119.070 0.069 0.000 2.456 275 H HA 0.018 4.904 4.556 0.550 0.000 0.296 275 H C 1.830 177.213 175.328 0.093 0.000 1.079 275 H CA 1.299 57.381 56.048 0.058 0.000 1.322 275 H CB -0.067 29.713 29.762 0.031 0.000 1.388 275 H HN 0.554 nan 8.280 nan 0.000 0.538 276 G N 0.294 109.243 108.800 0.247 0.000 3.181 276 G HA2 0.036 4.326 3.960 0.550 0.000 0.219 276 G HA3 0.036 4.326 3.960 0.550 0.000 0.219 276 G C 0.333 175.377 174.900 0.240 0.000 1.182 276 G CA 0.279 45.547 45.100 0.281 0.000 0.791 276 G HN 0.432 nan 8.290 nan 0.000 0.537 277 S N -0.834 114.996 115.700 0.216 0.000 2.617 277 S HA 0.719 5.519 4.470 0.550 0.000 0.269 277 S C -0.200 174.555 174.600 0.259 0.000 1.292 277 S CA -0.283 58.050 58.200 0.222 0.000 1.010 277 S CB 2.280 65.645 63.200 0.276 0.000 0.944 277 S HN 0.091 nan 8.310 nan 0.000 0.536 278 T N -0.099 114.611 114.554 0.261 0.000 2.769 278 T HA 0.478 5.158 4.350 0.550 0.000 0.306 278 T C -0.932 173.977 174.700 0.348 0.000 1.400 278 T CA -0.458 61.823 62.100 0.301 0.000 1.007 278 T CB 1.289 70.224 68.868 0.112 0.000 1.392 278 T HN 0.790 nan 8.240 nan 0.000 0.500 279 Y N 1.167 121.625 120.300 0.264 0.000 2.697 279 Y HA 0.659 5.540 4.550 0.552 0.000 0.268 279 Y C 0.925 176.923 175.900 0.163 0.000 1.092 279 Y CA 1.174 59.390 58.100 0.193 0.000 1.304 279 Y CB 0.668 39.283 38.460 0.257 0.000 1.446 279 Y HN 0.848 nan 8.280 nan 0.000 0.491 280 G N -1.086 107.958 108.800 0.407 0.000 2.846 280 G HA2 0.483 4.773 3.960 0.550 0.000 0.299 280 G HA3 0.483 4.773 3.960 0.550 0.000 0.299 280 G C -0.695 174.385 174.900 0.300 0.000 1.242 280 G CA -0.331 44.946 45.100 0.296 0.000 0.800 280 G HN 0.910 nan 8.290 nan 0.000 0.538 281 G N -1.012 107.933 108.800 0.241 0.000 2.619 281 G HA2 0.444 4.734 3.960 0.550 0.000 0.686 281 G HA3 0.444 4.734 3.960 0.550 0.000 0.686 281 G C -0.846 174.073 174.900 0.032 0.000 1.256 281 G CA 0.263 45.428 45.100 0.108 0.000 0.826 281 G HN 2.164 nan 8.290 nan 0.000 0.619 282 N N -0.386 118.289 118.700 -0.040 0.000 2.610 282 N HA 0.773 5.843 4.740 0.550 0.000 0.264 282 N C -2.196 173.277 175.510 -0.062 0.000 1.348 282 N CA -1.471 51.566 53.050 -0.022 0.000 0.819 282 N CB 1.925 40.451 38.487 0.066 0.000 1.521 282 N HN 0.215 nan 8.380 nan 0.000 0.497 283 P HA -0.098 nan 4.420 nan 0.000 0.217 283 P C 1.298 178.570 177.300 -0.047 0.000 1.150 283 P CA 0.523 63.596 63.100 -0.045 0.000 0.832 283 P CB 0.196 31.879 31.700 -0.028 0.000 0.787 284 L N 0.325 121.530 121.223 -0.029 0.000 2.005 284 L HA -0.116 4.554 4.340 0.550 0.000 0.207 284 L C 2.209 179.049 176.870 -0.050 0.000 1.072 284 L CA 1.814 56.633 54.840 -0.035 0.000 0.744 284 L CB -1.419 40.631 42.059 -0.015 0.000 0.895 284 L HN -0.095 nan 8.230 nan 0.000 0.433 285 V N -3.277 116.607 119.914 -0.050 0.000 2.515 285 V HA -0.225 4.225 4.120 0.550 0.000 0.250 285 V C 2.320 178.345 176.094 -0.115 0.000 1.058 285 V CA 1.728 63.994 62.300 -0.056 0.000 1.064 285 V CB -1.578 30.223 31.823 -0.037 0.000 0.675 285 V HN 0.568 nan 8.190 nan 0.000 0.461 286 C N 0.937 120.124 119.300 -0.188 0.000 2.450 286 C HA 0.264 5.054 4.460 0.550 0.000 0.279 286 C C 3.295 178.225 174.990 -0.099 0.000 1.335 286 C CA 0.751 59.619 59.018 -0.251 0.000 1.749 286 C CB -1.320 26.213 27.740 -0.343 0.000 1.963 286 C HN 0.714 nan 8.230 nan 0.000 0.501 287 A N 1.091 123.872 122.820 -0.065 0.000 1.940 287 A HA 0.026 4.676 4.320 0.550 0.000 0.219 287 A C 2.376 179.961 177.584 0.001 0.000 1.176 287 A CA 2.109 54.129 52.037 -0.028 0.000 0.631 287 A CB -1.180 17.795 19.000 -0.041 0.000 0.814 287 A HN 0.539 nan 8.150 nan 0.000 0.446 288 G N -0.485 108.312 108.800 -0.005 0.000 2.421 288 G HA2 -0.135 4.155 3.960 0.550 0.000 0.216 288 G HA3 -0.135 4.155 3.960 0.550 0.000 0.216 288 G C 1.527 176.534 174.900 0.179 0.000 1.171 288 G CA 1.256 46.416 45.100 0.100 0.000 0.775 288 G HN 0.318 nan 8.290 nan 0.000 0.543 289 V N 1.783 121.740 119.914 0.072 0.000 2.287 289 V HA -0.240 4.210 4.120 0.550 0.000 0.248 289 V C 2.696 178.890 176.094 0.167 0.000 1.053 289 V CA 2.005 64.350 62.300 0.076 0.000 1.027 289 V CB -0.502 31.374 31.823 0.088 0.000 0.646 289 V HN 0.356 nan 8.190 nan 0.000 0.447 290 N N 0.536 119.330 118.700 0.156 0.000 2.166 290 N HA -0.131 4.939 4.740 0.550 0.000 0.186 290 N C 1.890 177.501 175.510 0.169 0.000 1.019 290 N CA 1.679 54.836 53.050 0.179 0.000 0.856 290 N CB -0.479 38.065 38.487 0.095 0.000 0.993 290 N HN 0.516 nan 8.380 nan 0.000 0.426 291 A N 0.939 123.852 122.820 0.155 0.000 1.933 291 A HA -0.062 4.588 4.320 0.550 0.000 0.218 291 A C 2.554 180.220 177.584 0.137 0.000 1.175 291 A CA 1.145 53.297 52.037 0.192 0.000 0.628 291 A CB -0.731 18.439 19.000 0.285 0.000 0.814 291 A HN 0.095 nan 8.150 nan 0.000 0.444 292 V N -1.117 118.805 119.914 0.012 0.000 2.255 292 V HA -0.266 4.184 4.120 0.550 0.000 0.247 292 V C 2.322 178.187 176.094 -0.383 0.000 1.051 292 V CA 2.235 64.332 62.300 -0.339 0.000 1.018 292 V CB -1.021 30.437 31.823 -0.608 0.000 0.641 292 V HN 0.557 nan 8.190 nan 0.000 0.445 293 F N 0.478 120.324 119.950 -0.173 0.000 2.134 293 F HA -0.167 4.689 4.527 0.549 0.000 0.299 293 F C 2.521 178.363 175.800 0.070 0.000 1.097 293 F CA 1.994 59.948 58.000 -0.076 0.000 1.264 293 F CB -0.507 38.443 39.000 -0.083 0.000 1.001 293 F HN 0.216 nan 8.300 nan 0.000 0.479 294 E N 0.614 120.955 120.200 0.235 0.000 2.077 294 E HA -0.204 4.476 4.350 0.550 0.000 0.193 294 E C 2.233 178.943 176.600 0.184 0.000 0.989 294 E CA 1.494 58.006 56.400 0.187 0.000 0.800 294 E CB -0.263 29.523 29.700 0.144 0.000 0.746 294 E HN 0.423 nan 8.360 nan 0.000 0.452 295 I N -0.005 120.668 120.570 0.171 0.000 2.252 295 I HA -0.214 4.286 4.170 0.550 0.000 0.245 295 I C 2.047 178.296 176.117 0.220 0.000 1.102 295 I CA 0.832 62.228 61.300 0.160 0.000 1.385 295 I CB -0.270 37.756 38.000 0.044 0.000 1.064 295 I HN 0.167 nan 8.210 nan 0.000 0.414 296 F N 1.227 121.161 119.950 -0.027 0.000 2.091 296 F HA -0.334 4.522 4.527 0.548 0.000 0.299 296 F C 2.712 178.520 175.800 0.013 0.000 1.103 296 F CA 1.592 59.571 58.000 -0.034 0.000 1.228 296 F CB -0.181 38.824 39.000 0.008 0.000 0.984 296 F HN -0.014 nan 8.300 nan 0.000 0.477 297 K N 0.677 121.250 120.400 0.290 0.000 2.001 297 K HA -0.230 4.420 4.320 0.550 0.000 0.208 297 K C 2.069 178.733 176.600 0.108 0.000 1.048 297 K CA 1.654 58.055 56.287 0.189 0.000 0.932 297 K CB -0.342 32.282 32.500 0.206 0.000 0.715 297 K HN 0.221 nan 8.250 nan 0.000 0.437 298 E N 0.559 120.827 120.200 0.114 0.000 2.070 298 E HA -0.224 4.456 4.350 0.550 0.000 0.197 298 E C 1.094 177.728 176.600 0.057 0.000 1.004 298 E CA 1.661 58.112 56.400 0.085 0.000 0.805 298 E CB 0.119 29.880 29.700 0.102 0.000 0.744 298 E HN 0.413 nan 8.360 nan 0.000 0.451 299 E N -0.232 119.998 120.200 0.050 0.000 2.474 299 E HA 0.038 4.718 4.350 0.550 0.000 0.195 299 E C -0.498 176.074 176.600 -0.047 0.000 1.039 299 E CA -0.084 56.325 56.400 0.014 0.000 0.881 299 E CB 0.321 30.043 29.700 0.037 0.000 0.970 299 E HN 0.136 nan 8.360 nan 0.000 0.486 300 K N 0.813 121.180 120.400 -0.054 0.000 3.244 300 K HA -0.195 4.455 4.320 0.550 0.000 0.270 300 K C 0.644 177.125 176.600 -0.199 0.000 1.016 300 K CA -0.107 56.120 56.287 -0.100 0.000 0.754 300 K CB -0.933 31.525 32.500 -0.069 0.000 1.326 300 K HN 0.190 nan 8.250 nan 0.000 0.465 301 I N 0.167 120.547 120.570 -0.317 0.000 2.226 301 I HA -0.254 4.246 4.170 0.550 0.000 0.245 301 I C 2.308 178.117 176.117 -0.514 0.000 1.100 301 I CA 1.516 62.506 61.300 -0.515 0.000 1.374 301 I CB -0.739 36.653 38.000 -1.013 0.000 1.057 301 I HN 0.395 nan 8.210 nan 0.000 0.413 302 L N 0.241 121.172 121.223 -0.488 0.000 2.079 302 L HA -0.212 4.458 4.340 0.550 0.000 0.210 302 L C 2.489 179.169 176.870 -0.317 0.000 1.081 302 L CA 1.389 55.969 54.840 -0.433 0.000 0.752 302 L CB -0.628 41.174 42.059 -0.427 0.000 0.896 302 L HN 0.300 nan 8.230 nan 0.000 0.433 303 E N -0.001 120.054 120.200 -0.243 0.000 2.110 303 E HA -0.235 4.445 4.350 0.550 0.000 0.193 303 E C 1.851 178.344 176.600 -0.178 0.000 0.988 303 E CA 1.277 57.574 56.400 -0.172 0.000 0.804 303 E CB -0.127 29.501 29.700 -0.120 0.000 0.745 303 E HN 0.411 nan 8.360 nan 0.000 0.458 304 N N 0.464 119.036 118.700 -0.213 0.000 2.120 304 N HA -0.146 4.924 4.740 0.550 0.000 0.188 304 N C 1.729 177.082 175.510 -0.261 0.000 1.024 304 N CA 0.960 53.900 53.050 -0.184 0.000 0.852 304 N CB -0.012 38.371 38.487 -0.173 0.000 1.003 304 N HN -0.077 nan 8.380 nan 0.000 0.424 305 V N 1.054 120.673 119.914 -0.493 0.000 2.343 305 V HA -0.204 4.246 4.120 0.550 0.000 0.247 305 V C 1.948 177.803 176.094 -0.398 0.000 1.051 305 V CA 1.587 63.384 62.300 -0.839 0.000 1.036 305 V CB -0.638 30.634 31.823 -0.920 0.000 0.654 305 V HN 0.444 nan 8.190 nan 0.000 0.451 306 N N 0.129 118.682 118.700 -0.245 0.000 2.188 306 N HA -0.165 4.905 4.740 0.550 0.000 0.184 306 N C 1.872 177.354 175.510 -0.048 0.000 1.018 306 N CA 1.331 54.314 53.050 -0.112 0.000 0.858 306 N CB -0.266 38.165 38.487 -0.093 0.000 0.989 306 N HN 0.529 nan 8.380 nan 0.000 0.426 307 K N 1.012 121.378 120.400 -0.056 0.000 2.057 307 K HA -0.005 4.645 4.320 0.550 0.000 0.207 307 K C 1.751 178.380 176.600 0.049 0.000 1.049 307 K CA 0.872 57.152 56.287 -0.011 0.000 0.931 307 K CB 0.038 32.522 32.500 -0.027 0.000 0.714 307 K HN 0.099 nan 8.250 nan 0.000 0.440 308 L N -0.086 121.199 121.223 0.103 0.000 2.477 308 L HA 0.012 4.682 4.340 0.550 0.000 0.220 308 L C 2.056 179.116 176.870 0.316 0.000 1.106 308 L CA 0.286 55.266 54.840 0.234 0.000 0.851 308 L CB -0.001 42.267 42.059 0.347 0.000 0.994 308 L HN 0.169 nan 8.230 nan 0.000 0.462 309 T N 0.746 115.471 114.554 0.286 0.000 2.720 309 T HA -0.105 4.575 4.350 0.550 0.000 0.268 309 T C -0.558 174.233 174.700 0.152 0.000 1.037 309 T CA 1.448 63.706 62.100 0.263 0.000 1.144 309 T CB -0.863 68.105 68.868 0.167 0.000 0.864 309 T HN 0.200 nan 8.240 nan 0.000 0.444 310 P HA -0.105 nan 4.420 nan 0.000 0.215 310 P C 1.038 178.403 177.300 0.110 0.000 1.153 310 P CA 0.979 64.135 63.100 0.094 0.000 0.853 310 P CB -0.112 31.642 31.700 0.090 0.000 0.788 311 Y N 0.067 120.385 120.300 0.030 0.000 2.242 311 Y HA -0.133 4.747 4.550 0.551 0.000 0.291 311 Y C 2.140 178.040 175.900 -0.001 0.000 1.137 311 Y CA 0.945 59.053 58.100 0.014 0.000 1.181 311 Y CB -0.983 37.491 38.460 0.024 0.000 0.989 311 Y HN -0.223 nan 8.280 nan 0.000 0.527 312 L N 0.676 121.937 121.223 0.063 0.000 2.012 312 L HA -0.209 4.461 4.340 0.550 0.000 0.210 312 L C 2.046 178.822 176.870 -0.157 0.000 1.073 312 L CA 2.137 56.942 54.840 -0.059 0.000 0.748 312 L CB -0.904 41.150 42.059 -0.009 0.000 0.891 312 L HN 0.272 nan 8.230 nan 0.000 0.431 313 E N -0.986 119.159 120.200 -0.092 0.000 2.106 313 E HA -0.289 4.391 4.350 0.550 0.000 0.192 313 E C 2.106 178.619 176.600 -0.145 0.000 0.984 313 E CA 1.221 57.553 56.400 -0.112 0.000 0.806 313 E CB -0.171 29.500 29.700 -0.050 0.000 0.750 313 E HN 0.677 nan 8.360 nan 0.000 0.458 314 Q N 0.593 120.301 119.800 -0.154 0.000 2.084 314 Q HA -0.170 4.500 4.340 0.550 0.000 0.202 314 Q C 2.045 177.900 176.000 -0.241 0.000 0.978 314 Q CA 1.747 57.445 55.803 -0.176 0.000 0.844 314 Q CB 0.057 28.690 28.738 -0.175 0.000 0.898 314 Q HN 0.079 nan 8.270 nan 0.000 0.426 315 S N 0.790 116.280 115.700 -0.349 0.000 2.368 315 S HA -0.077 4.723 4.470 0.550 0.000 0.224 315 S C 1.904 176.359 174.600 -0.242 0.000 1.029 315 S CA 1.026 59.024 58.200 -0.336 0.000 0.988 315 S CB -0.173 62.778 63.200 -0.414 0.000 0.838 315 S HN 0.364 nan 8.310 nan 0.000 0.462 316 L N 1.317 122.380 121.223 -0.267 0.000 2.056 316 L HA -0.117 4.553 4.340 0.550 0.000 0.207 316 L C 2.099 178.877 176.870 -0.153 0.000 1.078 316 L CA 1.026 55.712 54.840 -0.255 0.000 0.749 316 L CB -0.705 41.133 42.059 -0.368 0.000 0.901 316 L HN 0.177 nan 8.230 nan 0.000 0.433 317 D N 0.329 120.646 120.400 -0.139 0.000 2.149 317 D HA -0.196 4.774 4.640 0.550 0.000 0.198 317 D C 2.054 178.302 176.300 -0.086 0.000 0.990 317 D CA 1.161 55.103 54.000 -0.097 0.000 0.839 317 D CB -0.064 40.683 40.800 -0.088 0.000 0.948 317 D HN 0.388 nan 8.370 nan 0.000 0.460 318 E N -0.199 119.941 120.200 -0.100 0.000 2.268 318 E HA -0.077 4.603 4.350 0.550 0.000 0.195 318 E C 2.110 178.675 176.600 -0.057 0.000 0.995 318 E CA 0.286 56.634 56.400 -0.086 0.000 0.836 318 E CB 0.062 29.702 29.700 -0.099 0.000 0.763 318 E HN 0.320 nan 8.360 nan 0.000 0.491 319 L N 0.159 121.371 121.223 -0.018 0.000 2.209 319 L HA -0.040 4.630 4.340 0.550 0.000 0.207 319 L C 2.277 179.200 176.870 0.089 0.000 1.094 319 L CA 0.459 55.365 54.840 0.110 0.000 0.790 319 L CB -0.127 41.996 42.059 0.106 0.000 0.932 319 L HN 0.131 nan 8.230 nan 0.000 0.447 320 I N 0.507 121.073 120.570 -0.008 0.000 2.252 320 I HA -0.289 4.211 4.170 0.550 0.000 0.245 320 I C 2.308 178.386 176.117 -0.064 0.000 1.102 320 I CA 1.473 62.752 61.300 -0.035 0.000 1.385 320 I CB -0.211 37.764 38.000 -0.041 0.000 1.064 320 I HN 0.371 nan 8.210 nan 0.000 0.414 321 N N 0.842 119.495 118.700 -0.078 0.000 2.188 321 N HA -0.264 4.806 4.740 0.550 0.000 0.184 321 N C 1.822 177.234 175.510 -0.163 0.000 1.018 321 N CA 1.475 54.464 53.050 -0.101 0.000 0.858 321 N CB 0.001 38.432 38.487 -0.093 0.000 0.989 321 N HN 0.318 nan 8.380 nan 0.000 0.426 322 E N -1.710 118.350 120.200 -0.233 0.000 2.122 322 E HA -0.012 4.668 4.350 0.550 0.000 0.190 322 E C -0.599 175.587 176.600 -0.690 0.000 0.977 322 E CA 0.437 56.542 56.400 -0.491 0.000 0.820 322 E CB 0.135 29.439 29.700 -0.661 0.000 0.770 322 E HN 0.270 nan 8.360 nan 0.000 0.462 323 F N 0.732 120.526 119.950 -0.260 0.000 2.402 323 F HA 0.172 5.028 4.527 0.549 0.000 0.355 323 F C 0.709 176.231 175.800 -0.463 0.000 1.123 323 F CA -0.862 56.861 58.000 -0.461 0.000 1.021 323 F CB 1.547 40.044 39.000 -0.838 0.000 1.160 323 F HN -0.118 nan 8.300 nan 0.000 0.451 324 D N 2.853 123.168 120.400 -0.141 0.000 2.158 324 D HA -0.278 4.692 4.640 0.550 0.000 0.197 324 D C 1.850 178.146 176.300 -0.008 0.000 0.995 324 D CA 1.996 55.974 54.000 -0.038 0.000 0.846 324 D CB -0.069 40.768 40.800 0.063 0.000 0.941 324 D HN 0.479 nan 8.370 nan 0.000 0.456 325 F N -0.702 119.302 119.950 0.089 0.000 2.780 325 F HA 0.298 5.154 4.527 0.548 0.000 0.299 325 F C 0.555 176.366 175.800 0.018 0.000 1.146 325 F CA -0.931 57.089 58.000 0.033 0.000 1.428 325 F CB -1.040 37.960 39.000 -0.001 0.000 1.115 325 F HN -0.146 nan 8.300 nan 0.000 0.583 326 C N 3.180 122.347 119.300 -0.223 0.000 2.322 326 C HA 0.227 5.017 4.460 0.550 0.000 0.343 326 C C 1.518 176.491 174.990 -0.029 0.000 1.190 326 C CA -0.675 58.292 59.018 -0.085 0.000 1.704 326 C CB -0.481 27.181 27.740 -0.129 0.000 2.293 326 C HN 0.537 nan 8.230 nan 0.000 0.523 327 K N 1.820 122.226 120.400 0.010 0.000 2.057 327 K HA 0.116 4.766 4.320 0.550 0.000 0.209 327 K C 0.166 176.765 176.600 -0.002 0.000 1.028 327 K CA 0.790 57.081 56.287 0.007 0.000 0.950 327 K CB 0.160 32.671 32.500 0.018 0.000 0.784 327 K HN 0.544 nan 8.250 nan 0.000 0.448 328 K N 0.589 120.991 120.400 0.003 0.000 2.426 328 K HA 0.346 4.996 4.320 0.550 0.000 0.251 328 K C -1.108 175.492 176.600 0.000 0.000 0.941 328 K CA -0.807 55.478 56.287 -0.003 0.000 0.808 328 K CB 2.697 35.195 32.500 -0.003 0.000 1.265 328 K HN -0.042 nan 8.250 nan 0.000 0.432 329 R N 2.370 122.863 120.500 -0.011 0.000 2.445 329 R HA 0.361 5.031 4.340 0.550 0.000 0.308 329 R C -1.136 175.159 176.300 -0.009 0.000 0.961 329 R CA -0.531 55.560 56.100 -0.015 0.000 0.862 329 R CB 0.976 31.247 30.300 -0.049 0.000 1.144 329 R HN 0.588 nan 8.270 nan 0.000 0.447 330 K N 1.906 122.309 120.400 0.005 0.000 2.426 330 K HA 0.707 5.357 4.320 0.550 0.000 0.251 330 K C -0.892 175.719 176.600 0.018 0.000 0.941 330 K CA -0.940 55.352 56.287 0.008 0.000 0.808 330 K CB 2.468 34.973 32.500 0.009 0.000 1.265 330 K HN 0.851 nan 8.250 nan 0.000 0.432 331 G N 0.611 109.421 108.800 0.018 0.000 2.313 331 G HA2 0.416 4.706 3.960 0.550 0.000 0.296 331 G HA3 0.416 4.706 3.960 0.550 0.000 0.296 331 G C -2.545 172.362 174.900 0.012 0.000 1.356 331 G CA -0.777 44.340 45.100 0.027 0.000 0.833 331 G HN 0.354 nan 8.290 nan 0.000 0.552 332 L N 0.613 121.845 121.223 0.015 0.000 2.516 332 L HA 0.714 5.384 4.340 0.550 0.000 0.267 332 L C 0.916 177.787 176.870 0.001 0.000 0.957 332 L CA 1.647 56.466 54.840 -0.035 0.000 0.860 332 L CB 1.277 43.287 42.059 -0.081 0.000 1.265 332 L HN 2.665 nan 8.230 nan 0.000 0.403 333 G N 3.001 111.806 108.800 0.008 0.000 2.611 333 G HA2 -0.311 3.979 3.960 0.550 0.000 0.301 333 G HA3 -0.311 3.979 3.960 0.550 0.000 0.301 333 G C 0.018 175.081 174.900 0.272 0.000 1.233 333 G CA 0.481 45.622 45.100 0.068 0.000 0.993 333 G HN 0.546 nan 8.290 nan 0.000 0.553 337 G N 0.641 109.563 108.800 0.204 0.000 2.571 337 G HA2 0.776 5.066 3.960 0.550 0.000 0.304 337 G HA3 0.776 5.066 3.960 0.550 0.000 0.304 337 G C -1.662 173.354 174.900 0.193 0.000 1.314 337 G CA -0.561 44.681 45.100 0.236 0.000 0.975 337 G HN 0.391 nan 8.290 nan 0.000 0.485 338 L N 1.979 123.349 121.223 0.246 0.000 2.441 338 L HA 0.610 5.280 4.340 0.550 0.000 0.270 338 L C 0.221 177.149 176.870 0.097 0.000 0.973 338 L CA -0.721 54.218 54.840 0.165 0.000 0.842 338 L CB 1.896 44.107 42.059 0.254 0.000 1.239 338 L HN 0.664 nan 8.230 nan 0.000 0.406 339 S N 5.151 120.881 115.700 0.050 0.000 2.562 339 S HA 0.694 5.494 4.470 0.550 0.000 0.275 339 S C -0.481 174.144 174.600 0.041 0.000 1.281 339 S CA -0.738 57.478 58.200 0.028 0.000 1.045 339 S CB 1.342 64.547 63.200 0.009 0.000 0.962 339 S HN 0.571 nan 8.310 nan 0.000 0.503 340 L N 1.760 123.005 121.223 0.036 0.000 2.346 340 L HA 0.500 5.170 4.340 0.550 0.000 0.274 340 L C -0.101 176.801 176.870 0.053 0.000 1.007 340 L CA -1.176 53.711 54.840 0.078 0.000 0.818 340 L CB 1.268 43.359 42.059 0.052 0.000 1.284 340 L HN 0.587 nan 8.230 nan 0.000 0.424 341 D N 1.352 121.812 120.400 0.100 0.000 2.443 341 D HA -0.071 4.899 4.640 0.550 0.000 0.234 341 D C 0.897 177.196 176.300 -0.001 0.000 1.172 341 D CA 0.290 54.326 54.000 0.060 0.000 0.878 341 D CB 1.043 41.908 40.800 0.108 0.000 1.204 341 D HN 0.467 nan 8.370 nan 0.000 0.453 342 K N 0.703 121.097 120.400 -0.009 0.000 2.281 342 K HA -0.174 4.476 4.320 0.550 0.000 0.203 342 K C 1.607 178.173 176.600 -0.056 0.000 1.046 342 K CA 1.242 57.510 56.287 -0.032 0.000 0.938 342 K CB 0.039 32.528 32.500 -0.017 0.000 0.737 342 K HN 0.400 nan 8.250 nan 0.000 0.458 343 S N -0.609 115.060 115.700 -0.052 0.000 2.447 343 S HA -0.026 4.774 4.470 0.550 0.000 0.233 343 S C 0.603 175.098 174.600 -0.176 0.000 1.006 343 S CA 0.235 58.389 58.200 -0.077 0.000 0.957 343 S CB 0.127 63.305 63.200 -0.035 0.000 0.773 343 S HN 0.004 nan 8.310 nan 0.000 0.507 344 V N 2.086 121.839 119.914 -0.269 0.000 2.482 344 V HA 0.356 4.806 4.120 0.550 0.000 0.295 344 V C -0.488 175.390 176.094 -0.361 0.000 1.026 344 V CA -1.066 60.953 62.300 -0.467 0.000 0.856 344 V CB 1.735 32.972 31.823 -0.978 0.000 1.001 344 V HN 0.215 nan 8.190 nan 0.000 0.424 345 K N 2.592 122.821 120.400 -0.285 0.000 2.379 345 K HA 0.206 4.856 4.320 0.550 0.000 0.284 345 K C 0.990 177.454 176.600 -0.226 0.000 1.044 345 K CA -0.174 56.000 56.287 -0.188 0.000 0.974 345 K CB 1.773 34.211 32.500 -0.103 0.000 0.962 345 K HN 0.498 nan 8.250 nan 0.000 0.474 346 V N 3.798 123.614 119.914 -0.165 0.000 2.469 346 V HA -0.281 4.169 4.120 0.550 0.000 0.251 346 V C 1.993 178.025 176.094 -0.103 0.000 1.064 346 V CA 2.536 64.746 62.300 -0.149 0.000 1.066 346 V CB -0.373 31.390 31.823 -0.100 0.000 0.667 346 V HN 0.962 nan 8.190 nan 0.000 0.461 347 A N -0.505 122.281 122.820 -0.057 0.000 1.940 347 A HA -0.249 4.401 4.320 0.550 0.000 0.219 347 A C 2.258 179.845 177.584 0.006 0.000 1.176 347 A CA 2.113 54.150 52.037 0.000 0.000 0.631 347 A CB -0.467 18.545 19.000 0.020 0.000 0.814 347 A HN 0.622 nan 8.150 nan 0.000 0.446 348 K N -0.613 119.786 120.400 -0.001 0.000 2.167 348 K HA 0.028 4.678 4.320 0.550 0.000 0.203 348 K C 1.831 178.539 176.600 0.181 0.000 1.052 348 K CA 1.048 57.396 56.287 0.101 0.000 0.956 348 K CB -0.214 32.401 32.500 0.190 0.000 0.735 348 K HN 0.313 nan 8.250 nan 0.000 0.451 349 V N 2.017 121.922 119.914 -0.014 0.000 2.343 349 V HA -0.245 4.205 4.120 0.550 0.000 0.247 349 V C 2.175 178.268 176.094 -0.000 0.000 1.051 349 V CA 1.585 63.881 62.300 -0.005 0.000 1.036 349 V CB -0.372 31.310 31.823 -0.234 0.000 0.654 349 V HN 0.273 nan 8.190 nan 0.000 0.451 350 I N -0.453 120.078 120.570 -0.065 0.000 2.226 350 I HA -0.311 4.189 4.170 0.550 0.000 0.245 350 I C 2.696 178.723 176.117 -0.152 0.000 1.100 350 I CA 1.613 62.837 61.300 -0.127 0.000 1.374 350 I CB -0.372 37.550 38.000 -0.129 0.000 1.057 350 I HN 0.388 nan 8.210 nan 0.000 0.413 351 Q N 0.360 120.110 119.800 -0.083 0.000 2.084 351 Q HA -0.266 4.404 4.340 0.550 0.000 0.202 351 Q C 2.184 178.161 176.000 -0.038 0.000 0.978 351 Q CA 1.461 57.220 55.803 -0.073 0.000 0.844 351 Q CB -0.087 28.645 28.738 -0.008 0.000 0.898 351 Q HN 0.194 nan 8.270 nan 0.000 0.426 352 K N 0.437 120.845 120.400 0.013 0.000 2.097 352 K HA -0.089 4.561 4.320 0.550 0.000 0.205 352 K C 1.871 178.466 176.600 -0.008 0.000 1.050 352 K CA 1.203 57.495 56.287 0.008 0.000 0.938 352 K CB -0.434 32.099 32.500 0.056 0.000 0.718 352 K HN 0.188 nan 8.250 nan 0.000 0.442 353 C N 0.806 120.095 119.300 -0.018 0.000 2.425 353 C HA -0.085 4.705 4.460 0.550 0.000 0.277 353 C C 2.484 177.463 174.990 -0.018 0.000 1.280 353 C CA 0.762 59.761 59.018 -0.032 0.000 1.744 353 C CB -0.778 26.923 27.740 -0.065 0.000 1.989 353 C HN 0.569 nan 8.230 nan 0.000 0.491 354 Q N 0.532 120.306 119.800 -0.044 0.000 2.084 354 Q HA -0.202 4.468 4.340 0.550 0.000 0.202 354 Q C 2.065 178.119 176.000 0.089 0.000 0.978 354 Q CA 1.486 57.313 55.803 0.042 0.000 0.844 354 Q CB -0.214 28.476 28.738 -0.081 0.000 0.898 354 Q HN 0.708 nan 8.270 nan 0.000 0.426 355 E N 0.639 120.848 120.200 0.015 0.000 2.118 355 E HA -0.151 4.529 4.350 0.550 0.000 0.195 355 E C 1.168 177.745 176.600 -0.037 0.000 0.992 355 E CA 0.833 57.227 56.400 -0.010 0.000 0.804 355 E CB -0.041 29.644 29.700 -0.024 0.000 0.741 355 E HN 0.331 nan 8.360 nan 0.000 0.458 356 N N -0.138 118.546 118.700 -0.027 0.000 2.434 356 N HA 0.111 5.181 4.740 0.550 0.000 0.196 356 N C -0.121 175.363 175.510 -0.043 0.000 1.183 356 N CA 0.763 53.792 53.050 -0.035 0.000 0.849 356 N CB 0.914 39.389 38.487 -0.020 0.000 0.992 356 N HN 0.125 nan 8.380 nan 0.000 0.460 357 A N -0.177 122.609 122.820 -0.058 0.000 2.914 357 A HA -0.196 4.454 4.320 0.550 0.000 0.280 357 A C -0.347 177.285 177.584 0.080 0.000 1.447 357 A CA 0.355 52.325 52.037 -0.112 0.000 0.759 357 A CB -2.136 16.727 19.000 -0.228 0.000 1.034 357 A HN 0.303 nan 8.150 nan 0.000 0.529 358 L N -0.675 120.624 121.223 0.127 0.000 2.410 358 L HA 0.799 5.469 4.340 0.550 0.000 0.270 358 L C -0.643 176.263 176.870 0.060 0.000 0.983 358 L CA -0.599 54.297 54.840 0.093 0.000 0.822 358 L CB 1.722 43.789 42.059 0.013 0.000 1.285 358 L HN 0.277 nan 8.230 nan 0.000 0.409 359 L N 6.383 127.637 121.223 0.050 0.000 2.277 359 L HA 0.527 5.197 4.340 0.550 0.000 0.284 359 L C -0.647 176.209 176.870 -0.024 0.000 1.028 359 L CA -0.233 54.582 54.840 -0.042 0.000 0.835 359 L CB 1.034 43.059 42.059 -0.057 0.000 1.215 359 L HN 0.558 nan 8.230 nan 0.000 0.425 360 L N 4.210 125.367 121.223 -0.111 0.000 2.303 360 L HA 0.668 5.338 4.340 0.550 0.000 0.266 360 L C -0.024 176.785 176.870 -0.102 0.000 1.011 360 L CA -0.831 53.922 54.840 -0.145 0.000 0.818 360 L CB 2.397 44.286 42.059 -0.283 0.000 1.326 360 L HN 0.528 nan 8.230 nan 0.000 0.435 361 I N -2.252 118.261 120.570 -0.095 0.000 3.445 361 I HA 0.752 5.252 4.170 0.550 0.000 0.303 361 I C -0.322 175.752 176.117 -0.071 0.000 1.129 361 I CA -0.599 60.702 61.300 0.002 0.000 0.989 361 I CB 2.167 40.193 38.000 0.044 0.000 1.314 361 I HN 0.620 nan 8.210 nan 0.000 0.488 362 S N 0.300 115.985 115.700 -0.025 0.000 2.715 362 S HA 0.903 5.703 4.470 0.550 0.000 0.307 362 S C -0.406 174.165 174.600 -0.048 0.000 1.119 362 S CA -0.296 57.873 58.200 -0.052 0.000 0.937 362 S CB 1.542 64.722 63.200 -0.033 0.000 1.150 362 S HN 1.347 nan 8.310 nan 0.000 0.521 363 C N -1.683 117.589 119.300 -0.047 0.000 3.295 363 C HA 0.938 5.728 4.460 0.550 0.000 0.341 363 C C 0.905 175.870 174.990 -0.041 0.000 1.418 363 C CA 0.163 59.155 59.018 -0.044 0.000 1.240 363 C CB 0.299 28.016 27.740 -0.039 0.000 1.562 363 C HN 2.532 nan 8.230 nan 0.000 0.457 364 G N 1.474 110.250 108.800 -0.040 0.000 2.575 364 G HA2 -0.212 4.078 3.960 0.550 0.000 0.267 364 G HA3 -0.212 4.078 3.960 0.550 0.000 0.267 364 G C 0.470 175.351 174.900 -0.033 0.000 1.264 364 G CA 1.309 46.379 45.100 -0.050 0.000 0.935 364 G HN 1.711 nan 8.290 nan 0.000 0.568 365 E N -0.558 119.619 120.200 -0.040 0.000 2.072 365 E HA 0.014 4.694 4.350 0.550 0.000 0.190 365 E C 1.293 177.874 176.600 -0.031 0.000 0.982 365 E CA 1.324 57.709 56.400 -0.026 0.000 0.803 365 E CB 0.162 29.848 29.700 -0.024 0.000 0.755 365 E HN 0.519 nan 8.360 nan 0.000 0.453 366 N N 0.842 119.521 118.700 -0.036 0.000 2.609 366 N HA 0.086 5.156 4.740 0.550 0.000 0.251 366 N C -2.229 173.257 175.510 -0.040 0.000 1.526 366 N CA -0.206 52.818 53.050 -0.043 0.000 0.931 366 N CB 0.607 39.068 38.487 -0.044 0.000 1.460 366 N HN -0.025 nan 8.380 nan 0.000 0.526 367 D N 0.269 120.646 120.400 -0.038 0.000 2.342 367 D HA 0.380 5.350 4.640 0.550 0.000 0.243 367 D C 0.050 176.320 176.300 -0.049 0.000 1.019 367 D CA -0.284 53.701 54.000 -0.025 0.000 0.864 367 D CB 1.896 42.688 40.800 -0.012 0.000 1.315 367 D HN 0.141 nan 8.370 nan 0.000 0.468 368 L N 1.343 122.536 121.223 -0.049 0.000 2.331 368 L HA 0.365 5.035 4.340 0.550 0.000 0.278 368 L C 0.703 177.453 176.870 -0.200 0.000 1.106 368 L CA -0.316 54.413 54.840 -0.184 0.000 0.824 368 L CB 0.682 42.598 42.059 -0.237 0.000 1.142 368 L HN 0.134 nan 8.230 nan 0.000 0.443 369 R N 3.253 123.575 120.500 -0.296 0.000 2.445 369 R HA 0.503 5.173 4.340 0.550 0.000 0.308 369 R C -1.598 174.541 176.300 -0.268 0.000 0.961 369 R CA -0.456 55.562 56.100 -0.137 0.000 0.862 369 R CB 0.906 31.177 30.300 -0.049 0.000 1.144 369 R HN 0.338 nan 8.270 nan 0.000 0.447 370 F N 5.903 125.897 119.950 0.075 0.000 2.402 370 F HA 0.393 5.247 4.527 0.544 0.000 0.355 370 F C -0.206 175.637 175.800 0.072 0.000 1.123 370 F CA -0.792 57.298 58.000 0.150 0.000 1.021 370 F CB 1.501 40.624 39.000 0.206 0.000 1.160 370 F HN 0.254 nan 8.300 nan 0.000 0.451 371 L N 5.768 127.079 121.223 0.147 0.000 2.594 371 L HA 0.328 4.998 4.340 0.550 0.000 0.245 371 L C -2.579 174.214 176.870 -0.128 0.000 1.460 371 L CA -1.812 53.046 54.840 0.029 0.000 0.865 371 L CB 0.762 42.847 42.059 0.043 0.000 1.131 371 L HN 0.267 nan 8.230 nan 0.000 0.506 372 P HA 0.235 nan 4.420 nan 0.000 0.274 372 P C -2.580 174.537 177.300 -0.305 0.000 1.231 372 P CA -1.568 61.110 63.100 -0.702 0.000 0.790 372 P CB 0.013 30.819 31.700 -1.491 0.000 0.951 373 P HA 0.066 nan 4.420 nan 0.000 0.267 373 P C 1.045 178.341 177.300 -0.007 0.000 1.200 373 P CA 0.366 63.376 63.100 -0.150 0.000 0.772 373 P CB 0.215 31.791 31.700 -0.207 0.000 0.855 374 L N 2.627 123.840 121.223 -0.016 0.000 2.478 374 L HA -0.025 4.645 4.340 0.550 0.000 0.223 374 L C 1.739 178.570 176.870 -0.065 0.000 1.140 374 L CA 0.898 55.714 54.840 -0.041 0.000 0.842 374 L CB -0.701 41.175 42.059 -0.305 0.000 0.953 374 L HN 0.469 nan 8.230 nan 0.000 0.452 375 I N -2.896 117.641 120.570 -0.055 0.000 3.735 375 I HA 0.047 4.547 4.170 0.550 0.000 0.310 375 I C 0.867 177.022 176.117 0.064 0.000 1.270 375 I CA -0.397 60.892 61.300 -0.018 0.000 1.207 375 I CB -0.134 37.863 38.000 -0.006 0.000 1.013 375 I HN -0.037 nan 8.210 nan 0.000 0.452 376 L N 2.022 123.312 121.223 0.112 0.000 2.554 376 L HA 0.025 4.695 4.340 0.550 0.000 0.293 376 L C 0.168 177.193 176.870 0.259 0.000 1.252 376 L CA 1.281 56.223 54.840 0.170 0.000 0.862 376 L CB 0.221 42.314 42.059 0.057 0.000 1.113 376 L HN 0.426 nan 8.230 nan 0.000 0.510 377 Q N 2.781 122.814 119.800 0.389 0.000 2.351 377 Q HA 0.227 4.897 4.340 0.550 0.000 0.273 377 Q C 0.452 176.461 176.000 0.015 0.000 1.077 377 Q CA -0.820 55.031 55.803 0.080 0.000 0.843 377 Q CB 1.809 30.479 28.738 -0.113 0.000 1.367 377 Q HN 0.548 nan 8.270 nan 0.000 0.449 378 K N 1.023 121.407 120.400 -0.028 0.000 2.074 378 K HA -0.272 4.378 4.320 0.550 0.000 0.209 378 K C 1.086 177.669 176.600 -0.028 0.000 1.048 378 K CA 1.897 58.158 56.287 -0.043 0.000 0.926 378 K CB 0.247 32.633 32.500 -0.190 0.000 0.713 378 K HN 0.510 nan 8.250 nan 0.000 0.444 379 E N -0.343 119.781 120.200 -0.126 0.000 2.130 379 E HA -0.203 4.477 4.350 0.550 0.000 0.196 379 E C 1.677 178.260 176.600 -0.029 0.000 0.998 379 E CA 1.894 58.222 56.400 -0.120 0.000 0.806 379 E CB -0.235 29.331 29.700 -0.224 0.000 0.738 379 E HN 0.579 nan 8.360 nan 0.000 0.459 380 H N -0.735 118.403 119.070 0.114 0.000 2.428 380 H HA 0.044 4.929 4.556 0.550 0.000 0.296 380 H C 1.901 177.348 175.328 0.199 0.000 1.062 380 H CA 0.876 57.009 56.048 0.140 0.000 1.350 380 H CB 0.020 29.835 29.762 0.089 0.000 1.403 380 H HN 0.113 nan 8.280 nan 0.000 0.533 381 I N 0.746 121.501 120.570 0.308 0.000 2.226 381 I HA -0.248 4.252 4.170 0.550 0.000 0.245 381 I C 1.741 177.944 176.117 0.143 0.000 1.100 381 I CA 1.091 62.542 61.300 0.252 0.000 1.374 381 I CB -0.119 38.069 38.000 0.313 0.000 1.057 381 I HN 0.272 nan 8.210 nan 0.000 0.413 382 D N 0.785 121.300 120.400 0.191 0.000 2.123 382 D HA -0.163 4.807 4.640 0.550 0.000 0.196 382 D C 1.247 177.595 176.300 0.080 0.000 0.992 382 D CA 0.812 54.892 54.000 0.133 0.000 0.833 382 D CB -0.220 40.661 40.800 0.136 0.000 0.954 382 D HN 0.458 nan 8.370 nan 0.000 0.455 386 E N 2.396 122.597 120.200 0.001 0.000 2.106 386 E HA -0.001 4.679 4.350 0.550 0.000 0.192 386 E C 1.465 178.074 176.600 0.016 0.000 0.984 386 E CA 1.021 57.434 56.400 0.020 0.000 0.806 386 E CB -0.260 29.456 29.700 0.027 0.000 0.750 386 E HN 0.378 nan 8.360 nan 0.000 0.458 387 K N 0.233 120.634 120.400 0.001 0.000 2.062 387 K HA -0.053 4.597 4.320 0.550 0.000 0.205 387 K C 2.167 178.760 176.600 -0.012 0.000 1.051 387 K CA 0.885 57.169 56.287 -0.005 0.000 0.941 387 K CB -0.130 32.367 32.500 -0.006 0.000 0.719 387 K HN 0.060 nan 8.250 nan 0.000 0.440 388 L N 1.773 122.979 121.223 -0.028 0.000 2.056 388 L HA -0.103 4.567 4.340 0.550 0.000 0.207 388 L C 2.340 179.193 176.870 -0.027 0.000 1.078 388 L CA 1.596 56.418 54.840 -0.030 0.000 0.749 388 L CB -0.450 41.593 42.059 -0.027 0.000 0.901 388 L HN 0.032 nan 8.230 nan 0.000 0.433 389 R N -0.254 120.256 120.500 0.016 0.000 2.091 389 R HA -0.239 4.431 4.340 0.550 0.000 0.238 389 R C 2.445 178.800 176.300 0.092 0.000 1.136 389 R CA 1.935 58.092 56.100 0.095 0.000 0.959 389 R CB -0.270 30.132 30.300 0.170 0.000 0.856 389 R HN 0.408 nan 8.270 nan 0.000 0.437 390 K N -0.129 120.306 120.400 0.057 0.000 2.032 390 K HA -0.152 4.498 4.320 0.550 0.000 0.209 390 K C 1.940 178.557 176.600 0.029 0.000 1.048 390 K CA 1.565 57.880 56.287 0.046 0.000 0.927 390 K CB -0.195 32.318 32.500 0.021 0.000 0.712 390 K HN 0.284 nan 8.250 nan 0.000 0.441 391 A N 1.264 124.096 122.820 0.019 0.000 1.877 391 A HA -0.129 4.521 4.320 0.550 0.000 0.216 391 A C 2.117 179.779 177.584 0.130 0.000 1.186 391 A CA 1.375 53.441 52.037 0.048 0.000 0.620 391 A CB -0.678 18.362 19.000 0.066 0.000 0.822 391 A HN 0.329 nan 8.150 nan 0.000 0.443 392 L N -0.814 120.419 121.223 0.017 0.000 2.131 392 L HA -0.191 4.479 4.340 0.550 0.000 0.210 392 L C 2.436 179.361 176.870 0.093 0.000 1.092 392 L CA 1.529 56.312 54.840 -0.095 0.000 0.759 392 L CB -0.447 40.965 42.059 -1.078 0.000 0.903 392 L HN 0.377 nan 8.230 nan 0.000 0.435 393 K N -0.090 120.402 120.400 0.153 0.000 2.283 393 K HA -0.101 4.549 4.320 0.550 0.000 0.202 393 K C 2.169 178.865 176.600 0.160 0.000 1.048 393 K CA 1.409 57.877 56.287 0.303 0.000 0.948 393 K CB -0.039 32.607 32.500 0.243 0.000 0.742 393 K HN 0.365 nan 8.250 nan 0.000 0.458 394 S N -0.147 115.561 115.700 0.014 0.000 2.562 394 S HA 0.039 4.839 4.470 0.550 0.000 0.221 394 S C 0.600 175.001 174.600 -0.332 0.000 0.975 394 S CA -0.117 57.964 58.200 -0.199 0.000 0.918 394 S CB -0.152 62.832 63.200 -0.360 0.000 0.772 394 S HN -0.019 nan 8.310 nan 0.000 0.531 395 F N 0.000 119.957 119.950 0.012 0.000 2.286 395 F HA 0.000 4.859 4.527 0.553 0.000 0.279 395 F CA 0.000 57.958 58.000 -0.070 0.000 1.383 395 F CB 0.000 38.820 39.000 -0.301 0.000 1.145 395 F HN 0.000 nan 8.300 nan 0.000 0.574