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 2br4_1_B DATA FIRST_RESID 3 DATA SEQUENCE DYSRQNFLDL NLFRGLGEDP AYHPPVLTDR PRDWPLDRWA EAPRDLGYSD DATA SEQUENCE FSPYQWRGLR MLKDPDTQAV YHDMLWELRP RTIVELGVYN GGSLAWFRDL DATA SEQUENCE TKIMGIDCQV IGIDRDLSRC QIPASDMENI TLHQGDCSDL TTFEHLREMA DATA SEQUENCE HPLIFIDDAH ANTFNIMKWA VDHLLEEGDY FIIEDMIPYW YRYAPQLFSE DATA SEQUENCE YLGAFRDVLS MDMLYANASS QLDRGVLRRV AA 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 3 D HA 0.000 nan 4.640 nan 0.000 0.175 3 D C 0.000 176.368 176.300 0.114 0.000 2.045 3 D CA 0.000 54.048 54.000 0.079 0.000 0.868 3 D CB 0.000 40.789 40.800 -0.018 0.000 0.688 4 Y N 1.298 121.668 120.300 0.117 0.000 2.476 4 Y HA 0.285 4.836 4.550 0.002 0.000 0.283 4 Y C 1.892 177.876 175.900 0.140 0.000 1.109 4 Y CA 0.922 59.162 58.100 0.233 0.000 1.246 4 Y CB -0.355 38.270 38.460 0.276 0.000 1.068 4 Y HN 0.243 nan 8.280 nan 0.000 0.552 5 S N 0.807 116.079 115.700 -0.713 0.000 2.368 5 S HA -0.145 4.327 4.470 0.002 0.000 0.224 5 S C 2.064 176.537 174.600 -0.211 0.000 1.029 5 S CA 1.393 59.298 58.200 -0.492 0.000 0.988 5 S CB -0.214 62.664 63.200 -0.537 0.000 0.838 5 S HN 0.574 nan 8.310 nan 0.000 0.462 6 R N 0.611 120.999 120.500 -0.188 0.000 2.088 6 R HA 0.017 4.358 4.340 0.002 0.000 0.232 6 R C 1.073 177.275 176.300 -0.163 0.000 1.136 6 R CA 0.892 56.909 56.100 -0.137 0.000 0.926 6 R CB -0.438 29.795 30.300 -0.112 0.000 0.837 6 R HN 0.463 nan 8.270 nan 0.000 0.429 7 Q N 1.442 121.105 119.800 -0.229 0.000 2.354 7 Q HA -0.090 4.251 4.340 0.002 0.000 0.310 7 Q C -0.508 175.198 176.000 -0.489 0.000 1.104 7 Q CA 0.698 56.236 55.803 -0.442 0.000 0.968 7 Q CB 0.417 28.688 28.738 -0.778 0.000 1.251 7 Q HN 0.094 nan 8.270 nan 0.000 0.411 8 N N 1.366 119.792 118.700 -0.457 0.000 2.354 8 N HA 0.328 5.069 4.740 0.002 0.000 0.287 8 N C -1.841 173.468 175.510 -0.334 0.000 1.016 8 N CA -0.354 52.514 53.050 -0.303 0.000 0.871 8 N CB 0.657 39.078 38.487 -0.110 0.000 1.299 8 N HN 0.240 nan 8.380 nan 0.000 0.482 9 F N 3.160 123.139 119.950 0.049 0.000 2.404 9 F HA 0.418 4.946 4.527 0.002 0.000 0.354 9 F C 0.526 176.357 175.800 0.052 0.000 1.122 9 F CA -0.879 57.154 58.000 0.056 0.000 1.080 9 F CB 0.862 39.896 39.000 0.057 0.000 1.131 9 F HN 0.189 nan 8.300 nan 0.000 0.471 10 L N 2.611 123.966 121.223 0.221 0.000 2.483 10 L HA 0.046 4.387 4.340 0.002 0.000 0.275 10 L C 0.514 177.469 176.870 0.142 0.000 1.220 10 L CA -0.032 54.900 54.840 0.152 0.000 0.833 10 L CB 0.208 42.368 42.059 0.168 0.000 1.102 10 L HN 0.533 nan 8.230 nan 0.000 0.490 11 D N 1.819 122.249 120.400 0.051 0.000 2.338 11 D HA 0.055 4.697 4.640 0.002 0.000 0.255 11 D C 0.716 177.005 176.300 -0.018 0.000 1.237 11 D CA -0.337 53.673 54.000 0.018 0.000 0.883 11 D CB 1.313 42.101 40.800 -0.019 0.000 1.087 11 D HN 0.263 nan 8.370 nan 0.000 0.485 12 L N 4.304 125.569 121.223 0.071 0.000 2.450 12 L HA -0.101 4.240 4.340 0.002 0.000 0.224 12 L C 1.906 178.814 176.870 0.064 0.000 1.149 12 L CA 0.760 55.704 54.840 0.175 0.000 0.816 12 L CB -0.903 41.269 42.059 0.187 0.000 0.932 12 L HN 0.428 nan 8.230 nan 0.000 0.449 13 N N -0.563 118.122 118.700 -0.026 0.000 2.381 13 N HA -0.132 4.610 4.740 0.002 0.000 0.182 13 N C 1.705 177.144 175.510 -0.118 0.000 1.025 13 N CA 0.567 53.589 53.050 -0.046 0.000 0.888 13 N CB -0.058 38.407 38.487 -0.036 0.000 0.965 13 N HN 0.191 nan 8.380 nan 0.000 0.438 14 L N -0.108 120.946 121.223 -0.282 0.000 2.189 14 L HA -0.104 4.237 4.340 0.002 0.000 0.214 14 L C 1.269 177.882 176.870 -0.427 0.000 1.097 14 L CA 1.380 55.948 54.840 -0.453 0.000 0.764 14 L CB -0.932 40.667 42.059 -0.766 0.000 0.900 14 L HN 0.152 nan 8.230 nan 0.000 0.436 15 F N -2.099 117.865 119.950 0.023 0.000 2.678 15 F HA 0.206 4.735 4.527 0.003 0.000 0.305 15 F C 1.281 177.066 175.800 -0.026 0.000 1.090 15 F CA -0.731 57.281 58.000 0.018 0.000 1.272 15 F CB 0.052 39.066 39.000 0.022 0.000 1.060 15 F HN -0.251 nan 8.300 nan 0.000 0.576 16 R N 1.340 121.888 120.500 0.079 0.000 2.502 16 R HA 0.038 4.379 4.340 0.002 0.000 0.292 16 R C 1.195 177.506 176.300 0.019 0.000 0.998 16 R CA 0.892 57.000 56.100 0.013 0.000 1.056 16 R CB -0.044 30.250 30.300 -0.010 0.000 0.939 16 R HN 0.543 nan 8.270 nan 0.000 0.411 17 G N 3.437 112.237 108.800 -0.001 0.000 2.212 17 G HA2 -0.272 3.689 3.960 0.002 0.000 0.267 17 G HA3 -0.272 3.689 3.960 0.002 0.000 0.267 17 G C 0.581 175.617 174.900 0.226 0.000 1.002 17 G CA 0.770 45.942 45.100 0.119 0.000 0.729 17 G HN 0.584 nan 8.290 nan 0.000 0.517 18 L N -1.581 119.773 121.223 0.219 0.000 2.691 18 L HA 0.585 4.926 4.340 0.002 0.000 0.185 18 L C 1.486 178.550 176.870 0.323 0.000 1.081 18 L CA 0.603 55.479 54.840 0.060 0.000 0.865 18 L CB 0.069 42.051 42.059 -0.127 0.000 1.370 18 L HN 1.152 nan 8.230 nan 0.000 0.488 19 G N 0.943 109.967 108.800 0.375 0.000 2.384 19 G HA2 -0.131 3.831 3.960 0.002 0.000 0.668 19 G HA3 -0.131 3.831 3.960 0.002 0.000 0.668 19 G C -0.195 174.810 174.900 0.176 0.000 1.280 19 G CA 0.003 45.309 45.100 0.343 0.000 0.992 19 G HN 0.334 nan 8.290 nan 0.000 0.512 20 E N -0.989 119.171 120.200 -0.067 0.000 2.431 20 E HA 0.251 4.602 4.350 0.002 0.000 0.200 20 E C -0.197 176.396 176.600 -0.013 0.000 0.995 20 E CA 0.148 56.304 56.400 -0.407 0.000 0.915 20 E CB 1.025 30.314 29.700 -0.684 0.000 0.930 20 E HN 0.282 nan 8.360 nan 0.000 0.496 21 D N 1.180 121.645 120.400 0.108 0.000 2.542 21 D HA 0.147 4.788 4.640 0.002 0.000 0.252 21 D C -1.835 174.566 176.300 0.167 0.000 1.222 21 D CA -2.522 51.557 54.000 0.132 0.000 0.895 21 D CB 1.944 42.811 40.800 0.113 0.000 1.207 21 D HN -0.238 nan 8.370 nan 0.000 0.558 22 P HA -0.001 nan 4.420 nan 0.000 0.222 22 P C 0.217 177.470 177.300 -0.079 0.000 1.147 22 P CA 0.249 63.261 63.100 -0.147 0.000 0.790 22 P CB 0.184 31.602 31.700 -0.470 0.000 0.780 23 A N 0.024 122.821 122.820 -0.039 0.000 2.440 23 A HA 0.156 4.477 4.320 0.002 0.000 0.251 23 A C -0.405 177.109 177.584 -0.116 0.000 1.089 23 A CA -0.328 51.657 52.037 -0.086 0.000 0.779 23 A CB -0.568 18.362 19.000 -0.116 0.000 1.022 23 A HN 0.131 nan 8.150 nan 0.000 0.492 24 Y N 2.007 122.154 120.300 -0.256 0.000 2.346 24 Y HA 0.433 4.985 4.550 0.002 0.000 0.330 24 Y C -0.048 175.573 175.900 -0.464 0.000 1.178 24 Y CA 0.522 58.484 58.100 -0.229 0.000 1.331 24 Y CB 0.437 38.809 38.460 -0.146 0.000 1.253 24 Y HN 0.756 nan 8.280 nan 0.000 0.529 25 H N 5.251 123.786 119.070 -0.892 0.000 2.771 25 H HA 0.357 4.914 4.556 0.002 0.000 0.361 25 H C -2.422 172.246 175.328 -1.100 0.000 1.108 25 H CA -2.060 53.518 56.048 -0.783 0.000 1.201 25 H CB 1.391 30.934 29.762 -0.364 0.000 1.681 25 H HN 0.540 nan 8.280 nan 0.000 0.534 26 P HA -0.002 nan 4.420 nan 0.000 0.266 26 P C -2.353 174.740 177.300 -0.346 0.000 1.193 26 P CA -0.827 62.040 63.100 -0.387 0.000 0.770 26 P CB -0.053 31.559 31.700 -0.146 0.000 0.836 27 P HA 0.058 nan 4.420 nan 0.000 0.268 27 P C -0.777 176.340 177.300 -0.305 0.000 1.208 27 P CA 0.206 62.997 63.100 -0.515 0.000 0.777 27 P CB 0.375 31.323 31.700 -1.253 0.000 0.875 28 V N 3.623 123.416 119.914 -0.201 0.000 2.448 28 V HA 0.172 4.293 4.120 0.002 0.000 0.295 28 V C -0.101 175.978 176.094 -0.026 0.000 1.025 28 V CA -0.813 61.428 62.300 -0.098 0.000 0.859 28 V CB 1.498 33.272 31.823 -0.082 0.000 0.988 28 V HN 0.342 nan 8.190 nan 0.000 0.431 29 L N 4.503 125.729 121.223 0.006 0.000 2.367 29 L HA 0.361 4.703 4.340 0.002 0.000 0.275 29 L C 1.261 178.157 176.870 0.042 0.000 1.129 29 L CA 0.884 55.759 54.840 0.058 0.000 0.839 29 L CB 0.935 43.038 42.059 0.073 0.000 1.133 29 L HN 0.727 nan 8.230 nan 0.000 0.453 30 T N 0.288 114.873 114.554 0.052 0.000 3.056 30 T HA 0.021 4.372 4.350 0.002 0.000 0.241 30 T C 0.715 175.439 174.700 0.039 0.000 1.006 30 T CA 0.518 62.639 62.100 0.035 0.000 1.115 30 T CB 0.320 69.207 68.868 0.032 0.000 0.939 30 T HN 0.728 nan 8.240 nan 0.000 0.462 31 D N 1.542 121.973 120.400 0.052 0.000 2.501 31 D HA 0.087 4.728 4.640 0.002 0.000 0.224 31 D C 0.474 176.832 176.300 0.097 0.000 1.202 31 D CA -0.416 53.618 54.000 0.058 0.000 0.829 31 D CB 0.403 41.228 40.800 0.043 0.000 1.023 31 D HN 0.374 nan 8.370 nan 0.000 0.499 32 R N -0.467 120.102 120.500 0.115 0.000 2.692 32 R HA 0.496 4.838 4.340 0.002 0.000 0.269 32 R C -3.342 173.052 176.300 0.157 0.000 1.030 32 R CA -1.198 55.020 56.100 0.197 0.000 0.882 32 R CB -0.131 30.334 30.300 0.275 0.000 1.250 32 R HN -0.227 nan 8.270 nan 0.000 0.465 33 P HA 0.275 nan 4.420 nan 0.000 0.276 33 P C -0.085 177.307 177.300 0.153 0.000 1.244 33 P CA -0.571 62.590 63.100 0.102 0.000 0.801 33 P CB 1.465 33.178 31.700 0.022 0.000 1.006 34 R N 0.377 120.938 120.500 0.101 0.000 2.115 34 R HA -0.024 4.317 4.340 0.002 0.000 0.226 34 R C -0.118 176.262 176.300 0.134 0.000 1.100 34 R CA 1.025 57.189 56.100 0.107 0.000 0.980 34 R CB 0.084 30.424 30.300 0.066 0.000 0.875 34 R HN 0.458 nan 8.270 nan 0.000 0.445 35 D N 0.336 120.804 120.400 0.114 0.000 2.485 35 D HA 0.012 4.654 4.640 0.002 0.000 0.229 35 D C -1.090 175.292 176.300 0.137 0.000 1.101 35 D CA -0.211 53.859 54.000 0.117 0.000 0.906 35 D CB 0.263 41.098 40.800 0.058 0.000 1.019 35 D HN 0.225 nan 8.370 nan 0.000 0.516 36 W N 4.808 126.127 121.300 0.032 0.000 2.253 36 W HA 0.154 4.815 4.660 0.002 0.000 0.322 36 W C -2.049 174.503 176.519 0.055 0.000 1.342 36 W CA -1.420 55.944 57.345 0.033 0.000 1.218 36 W CB 0.878 30.350 29.460 0.020 0.000 1.205 36 W HN 0.184 nan 8.180 nan 0.000 0.551 37 P HA -0.008 nan 4.420 nan 0.000 0.271 37 P C 0.435 177.848 177.300 0.188 0.000 1.216 37 P CA -0.153 62.925 63.100 -0.037 0.000 0.771 37 P CB 1.374 32.968 31.700 -0.177 0.000 0.864 38 L N 2.490 123.830 121.223 0.194 0.000 2.217 38 L HA -0.102 4.239 4.340 0.002 0.000 0.211 38 L C 2.108 179.121 176.870 0.239 0.000 1.107 38 L CA 1.615 56.614 54.840 0.264 0.000 0.783 38 L CB -1.171 40.984 42.059 0.160 0.000 0.919 38 L HN 0.506 nan 8.230 nan 0.000 0.442 39 D N -0.464 120.026 120.400 0.150 0.000 2.309 39 D HA -0.219 4.422 4.640 0.002 0.000 0.212 39 D C 1.005 177.411 176.300 0.177 0.000 0.968 39 D CA 0.776 54.852 54.000 0.126 0.000 0.882 39 D CB -0.019 40.820 40.800 0.066 0.000 0.918 39 D HN 0.340 nan 8.370 nan 0.000 0.503 40 R N -0.667 119.981 120.500 0.247 0.000 2.700 40 R HA 0.099 4.441 4.340 0.002 0.000 0.399 40 R C 0.654 177.285 176.300 0.553 0.000 1.115 40 R CA -0.518 55.782 56.100 0.332 0.000 1.058 40 R CB -0.495 29.949 30.300 0.241 0.000 1.389 40 R HN 0.201 nan 8.270 nan 0.000 0.582 41 W N 1.577 123.038 121.300 0.268 0.000 2.342 41 W HA -0.227 4.434 4.660 0.002 0.000 0.297 41 W C 1.742 178.292 176.519 0.051 0.000 1.213 41 W CA 2.139 59.594 57.345 0.184 0.000 1.251 41 W CB 0.129 29.652 29.460 0.104 0.000 1.136 41 W HN 0.200 nan 8.180 nan 0.000 0.526 42 A N -0.048 122.911 122.820 0.233 0.000 2.066 42 A HA -0.106 4.216 4.320 0.002 0.000 0.218 42 A C 1.607 179.092 177.584 -0.164 0.000 1.157 42 A CA 1.483 53.498 52.037 -0.035 0.000 0.670 42 A CB -0.563 18.571 19.000 0.224 0.000 0.804 42 A HN 0.509 nan 8.150 nan 0.000 0.453 43 E N 0.011 120.194 120.200 -0.028 0.000 2.465 43 E HA 0.324 4.675 4.350 0.002 0.000 0.191 43 E C 0.431 176.920 176.600 -0.186 0.000 1.053 43 E CA -0.028 56.373 56.400 0.002 0.000 0.869 43 E CB 0.176 29.996 29.700 0.200 0.000 0.977 43 E HN 0.560 nan 8.360 nan 0.000 0.483 44 A N 3.102 125.528 122.820 -0.656 0.000 2.401 44 A HA 0.293 4.615 4.320 0.002 0.000 0.259 44 A C -2.091 174.992 177.584 -0.834 0.000 1.103 44 A CA -1.362 49.821 52.037 -1.423 0.000 0.789 44 A CB -0.043 17.839 19.000 -1.864 0.000 1.035 44 A HN -0.053 nan 8.150 nan 0.000 0.491 45 P HA 0.154 nan 4.420 nan 0.000 0.268 45 P C 0.081 177.164 177.300 -0.362 0.000 1.205 45 P CA -0.151 62.717 63.100 -0.386 0.000 0.771 45 P CB 0.680 32.224 31.700 -0.259 0.000 0.858 46 R N 0.797 121.138 120.500 -0.264 0.000 2.282 46 R HA 0.064 4.405 4.340 0.002 0.000 0.195 46 R C 0.738 176.935 176.300 -0.171 0.000 0.909 46 R CA 0.297 56.259 56.100 -0.230 0.000 1.039 46 R CB -0.198 29.984 30.300 -0.198 0.000 1.015 46 R HN 0.660 nan 8.270 nan 0.000 0.513 47 D N 0.454 120.762 120.400 -0.153 0.000 2.384 47 D HA -0.084 4.557 4.640 0.002 0.000 0.244 47 D C 1.313 177.516 176.300 -0.161 0.000 1.251 47 D CA -0.402 53.516 54.000 -0.137 0.000 0.961 47 D CB 1.008 41.739 40.800 -0.115 0.000 1.116 47 D HN -0.179 nan 8.370 nan 0.000 0.484 48 L N 0.021 121.122 121.223 -0.204 0.000 2.083 48 L HA 0.062 4.404 4.340 0.002 0.000 0.209 48 L C 1.906 178.587 176.870 -0.316 0.000 1.083 48 L CA 2.563 57.211 54.840 -0.320 0.000 0.752 48 L CB -0.892 40.873 42.059 -0.490 0.000 0.899 48 L HN 0.929 nan 8.230 nan 0.000 0.433 49 G N -2.926 105.748 108.800 -0.210 0.000 2.176 49 G HA2 -0.282 3.680 3.960 0.002 0.000 0.232 49 G HA3 -0.282 3.680 3.960 0.002 0.000 0.232 49 G C 0.113 175.083 174.900 0.116 0.000 0.986 49 G CA 0.218 45.303 45.100 -0.025 0.000 0.643 49 G HN 0.724 nan 8.290 nan 0.000 0.522 50 Y N -1.748 118.538 120.300 -0.024 0.000 2.750 50 Y HA 0.758 5.309 4.550 0.002 0.000 0.335 50 Y C 0.070 175.960 175.900 -0.017 0.000 1.252 50 Y CA -0.945 57.142 58.100 -0.021 0.000 1.064 50 Y CB 0.425 38.868 38.460 -0.027 0.000 1.321 50 Y HN 0.735 nan 8.280 nan 0.000 0.451 51 S N 1.168 116.978 115.700 0.183 0.000 2.546 51 S HA 0.027 4.499 4.470 0.002 0.000 0.290 51 S C 0.530 175.189 174.600 0.100 0.000 1.290 51 S CA 0.264 58.532 58.200 0.114 0.000 1.069 51 S CB 0.051 63.342 63.200 0.151 0.000 0.846 51 S HN 0.836 nan 8.310 nan 0.000 0.495 52 D N 4.911 125.323 120.400 0.021 0.000 2.319 52 D HA -0.058 4.583 4.640 0.002 0.000 0.230 52 D C 1.084 177.418 176.300 0.056 0.000 1.094 52 D CA -0.145 53.846 54.000 -0.015 0.000 0.856 52 D CB -0.559 40.214 40.800 -0.046 0.000 0.915 52 D HN 0.643 nan 8.370 nan 0.000 0.517 53 F N 1.326 121.272 119.950 -0.007 0.000 2.000 53 F HA -0.135 4.393 4.527 0.002 0.000 0.296 53 F C 0.885 176.688 175.800 0.004 0.000 1.159 53 F CA 1.429 59.433 58.000 0.006 0.000 1.183 53 F CB 0.027 39.034 39.000 0.012 0.000 0.959 53 F HN 0.022 nan 8.300 nan 0.000 0.490 54 S N 0.975 116.169 115.700 -0.843 0.000 2.317 54 S HA 0.350 4.821 4.470 0.002 0.000 0.144 54 S C -2.104 172.235 174.600 -0.435 0.000 1.660 54 S CA -1.024 56.707 58.200 -0.782 0.000 1.273 54 S CB 0.586 63.054 63.200 -1.220 0.000 1.330 54 S HN 0.262 nan 8.310 nan 0.000 0.395 55 P HA 0.224 nan 4.420 nan 0.000 0.256 55 P C -0.572 176.516 177.300 -0.353 0.000 1.384 55 P CA -0.107 62.785 63.100 -0.346 0.000 0.879 55 P CB -0.320 31.230 31.700 -0.249 0.000 1.403 56 Y N 1.043 121.345 120.300 0.003 0.000 2.453 56 Y HA 0.485 5.036 4.550 0.002 0.000 0.326 56 Y C 1.119 176.950 175.900 -0.114 0.000 1.186 56 Y CA -0.703 57.367 58.100 -0.050 0.000 1.200 56 Y CB 1.437 39.834 38.460 -0.105 0.000 1.247 56 Y HN -0.059 nan 8.280 nan 0.000 0.482 57 Q N 0.580 120.368 119.800 -0.019 0.000 2.575 57 Q HA 0.361 4.703 4.340 0.002 0.000 0.290 57 Q C -2.072 173.906 176.000 -0.035 0.000 0.963 57 Q CA -1.073 54.589 55.803 -0.236 0.000 0.783 57 Q CB 2.567 30.764 28.738 -0.903 0.000 1.467 57 Q HN 0.810 nan 8.270 nan 0.000 0.402 58 W N 2.707 123.856 121.300 -0.252 0.000 2.687 58 W HA 0.401 5.062 4.660 0.002 0.000 0.328 58 W C -0.735 175.714 176.519 -0.117 0.000 1.012 58 W CA -0.652 56.611 57.345 -0.136 0.000 1.262 58 W CB 1.186 30.610 29.460 -0.059 0.000 1.331 58 W HN 0.911 nan 8.180 nan 0.000 0.433 59 R N 3.666 123.788 120.500 -0.631 0.000 3.333 59 R HA -0.214 4.128 4.340 0.002 0.000 0.256 59 R C 0.892 177.033 176.300 -0.265 0.000 1.010 59 R CA 1.339 57.143 56.100 -0.494 0.000 0.680 59 R CB -1.938 28.037 30.300 -0.541 0.000 1.102 59 R HN 1.120 nan 8.270 nan 0.000 0.440 60 G N -0.764 107.872 108.800 -0.273 0.000 2.184 60 G HA2 -0.337 3.624 3.960 0.002 0.000 0.264 60 G HA3 -0.337 3.624 3.960 0.002 0.000 0.264 60 G C 0.192 175.016 174.900 -0.127 0.000 0.975 60 G CA 0.561 45.556 45.100 -0.175 0.000 0.642 60 G HN 0.329 nan 8.290 nan 0.000 0.536 61 L N 0.604 121.745 121.223 -0.136 0.000 2.309 61 L HA 0.538 4.879 4.340 0.002 0.000 0.282 61 L C 1.194 178.022 176.870 -0.070 0.000 1.036 61 L CA -1.142 53.670 54.840 -0.046 0.000 0.806 61 L CB 1.231 43.304 42.059 0.023 0.000 1.220 61 L HN 0.051 nan 8.230 nan 0.000 0.429 62 R N 2.967 123.478 120.500 0.019 0.000 2.640 62 R HA 0.237 4.578 4.340 0.002 0.000 0.270 62 R C -0.541 175.783 176.300 0.040 0.000 1.024 62 R CA 0.314 56.454 56.100 0.067 0.000 1.085 62 R CB 0.470 30.872 30.300 0.171 0.000 0.963 62 R HN 0.489 nan 8.270 nan 0.000 0.426 63 M N 4.608 124.214 119.600 0.010 0.000 2.093 63 M HA 0.185 4.666 4.480 0.002 0.000 0.297 63 M C 0.188 176.466 176.300 -0.036 0.000 0.938 63 M CA -0.392 54.875 55.300 -0.056 0.000 0.920 63 M CB 1.795 34.299 32.600 -0.160 0.000 1.517 63 M HN 0.514 nan 8.290 nan 0.000 0.427 64 L N 2.297 123.499 121.223 -0.036 0.000 2.645 64 L HA 0.168 4.509 4.340 0.002 0.000 0.234 64 L C 0.304 177.134 176.870 -0.067 0.000 1.165 64 L CA 0.397 55.215 54.840 -0.037 0.000 0.944 64 L CB -0.637 41.411 42.059 -0.018 0.000 1.149 64 L HN 0.499 nan 8.230 nan 0.000 0.446 65 K N 1.751 122.051 120.400 -0.166 0.000 2.293 65 K HA 0.245 4.567 4.320 0.002 0.000 0.267 65 K C -0.543 175.865 176.600 -0.321 0.000 1.010 65 K CA -0.583 55.566 56.287 -0.230 0.000 0.875 65 K CB 1.765 34.032 32.500 -0.388 0.000 1.106 65 K HN 0.024 nan 8.250 nan 0.000 0.450 66 D N 2.399 122.641 120.400 -0.264 0.000 2.383 66 D HA 0.136 4.777 4.640 0.002 0.000 0.248 66 D C -1.890 174.091 176.300 -0.531 0.000 1.170 66 D CA -1.922 51.777 54.000 -0.500 0.000 0.977 66 D CB 0.492 41.158 40.800 -0.224 0.000 1.120 66 D HN 0.044 nan 8.370 nan 0.000 0.481 67 P HA -0.158 nan 4.420 nan 0.000 0.216 67 P C 0.571 177.740 177.300 -0.218 0.000 1.153 67 P CA 1.315 64.169 63.100 -0.411 0.000 0.858 67 P CB 0.070 31.561 31.700 -0.348 0.000 0.789 68 D N -1.641 118.658 120.400 -0.168 0.000 2.219 68 D HA -0.079 4.562 4.640 0.002 0.000 0.205 68 D C 1.714 177.965 176.300 -0.081 0.000 0.970 68 D CA 1.245 55.190 54.000 -0.090 0.000 0.851 68 D CB -0.658 40.106 40.800 -0.060 0.000 0.943 68 D HN 0.199 nan 8.370 nan 0.000 0.488 69 T N 1.226 115.716 114.554 -0.108 0.000 2.812 69 T HA -0.126 4.225 4.350 0.002 0.000 0.264 69 T C 2.027 176.729 174.700 0.002 0.000 1.042 69 T CA 0.887 62.945 62.100 -0.070 0.000 1.140 69 T CB -0.117 68.722 68.868 -0.048 0.000 0.870 69 T HN 0.201 nan 8.240 nan 0.000 0.445 70 Q N 0.723 120.462 119.800 -0.101 0.000 2.096 70 Q HA -0.083 4.258 4.340 0.002 0.000 0.204 70 Q C 2.681 178.825 176.000 0.240 0.000 0.982 70 Q CA 1.516 57.315 55.803 -0.007 0.000 0.850 70 Q CB -0.336 28.246 28.738 -0.260 0.000 0.901 70 Q HN 0.555 nan 8.270 nan 0.000 0.422 71 A N 0.197 123.067 122.820 0.083 0.000 1.902 71 A HA -0.134 4.187 4.320 0.002 0.000 0.217 71 A C 2.321 179.960 177.584 0.092 0.000 1.181 71 A CA 1.321 53.411 52.037 0.088 0.000 0.623 71 A CB -0.623 18.390 19.000 0.022 0.000 0.818 71 A HN 0.217 nan 8.150 nan 0.000 0.443 72 V N -1.566 118.345 119.914 -0.005 0.000 2.343 72 V HA -0.286 3.835 4.120 0.002 0.000 0.247 72 V C 2.327 178.248 176.094 -0.287 0.000 1.051 72 V CA 1.929 64.125 62.300 -0.173 0.000 1.036 72 V CB -1.065 30.592 31.823 -0.278 0.000 0.654 72 V HN 0.689 nan 8.190 nan 0.000 0.451 73 Y N -0.432 119.868 120.300 0.000 0.000 2.293 73 Y HA -0.245 4.306 4.550 0.002 0.000 0.291 73 Y C 2.633 178.549 175.900 0.027 0.000 1.137 73 Y CA 1.871 60.009 58.100 0.064 0.000 1.202 73 Y CB -0.330 38.365 38.460 0.392 0.000 0.990 73 Y HN 0.417 nan 8.280 nan 0.000 0.537 74 H N 0.187 119.350 119.070 0.156 0.000 2.293 74 H HA -0.157 4.401 4.556 0.002 0.000 0.300 74 H C 1.681 177.049 175.328 0.067 0.000 1.082 74 H CA 2.227 58.304 56.048 0.048 0.000 1.308 74 H CB -0.186 29.594 29.762 0.030 0.000 1.375 74 H HN 0.129 nan 8.280 nan 0.000 0.495 75 D N 0.217 120.685 120.400 0.113 0.000 2.123 75 D HA -0.198 4.444 4.640 0.002 0.000 0.196 75 D C 2.317 178.644 176.300 0.045 0.000 0.992 75 D CA 1.365 55.453 54.000 0.145 0.000 0.833 75 D CB -0.406 40.550 40.800 0.259 0.000 0.954 75 D HN 0.489 nan 8.370 nan 0.000 0.455 76 M N -0.223 119.226 119.600 -0.251 0.000 2.132 76 M HA -0.153 4.329 4.480 0.002 0.000 0.263 76 M C 1.661 177.876 176.300 -0.141 0.000 1.065 76 M CA 1.023 56.114 55.300 -0.348 0.000 1.122 76 M CB 0.091 32.287 32.600 -0.673 0.000 1.365 76 M HN -0.039 nan 8.290 nan 0.000 0.411 77 L N -0.378 120.781 121.223 -0.106 0.000 2.056 77 L HA -0.218 4.123 4.340 0.002 0.000 0.207 77 L C 2.197 179.032 176.870 -0.058 0.000 1.078 77 L CA 1.808 56.594 54.840 -0.091 0.000 0.749 77 L CB -1.261 40.733 42.059 -0.107 0.000 0.901 77 L HN 0.569 nan 8.230 nan 0.000 0.433 78 W N 0.653 121.790 121.300 -0.271 0.000 2.374 78 W HA -0.236 4.426 4.660 0.002 0.000 0.288 78 W C 2.281 178.756 176.519 -0.074 0.000 1.218 78 W CA 1.910 59.133 57.345 -0.204 0.000 1.245 78 W CB 0.207 29.510 29.460 -0.261 0.000 1.126 78 W HN 0.407 nan 8.180 nan 0.000 0.545 79 E N 0.170 120.380 120.200 0.017 0.000 2.042 79 E HA -0.177 4.175 4.350 0.002 0.000 0.189 79 E C 2.464 179.041 176.600 -0.040 0.000 0.974 79 E CA 0.746 57.149 56.400 0.004 0.000 0.806 79 E CB -0.648 29.154 29.700 0.170 0.000 0.769 79 E HN 0.168 nan 8.360 nan 0.000 0.451 80 L N 0.596 121.816 121.223 -0.005 0.000 2.109 80 L HA 0.038 4.380 4.340 0.002 0.000 0.207 80 L C 0.437 177.281 176.870 -0.044 0.000 1.086 80 L CA 0.846 55.698 54.840 0.019 0.000 0.760 80 L CB -0.041 42.047 42.059 0.049 0.000 0.910 80 L HN 0.227 nan 8.230 nan 0.000 0.437 81 R N -0.283 120.157 120.500 -0.100 0.000 3.146 81 R HA -0.120 4.222 4.340 0.002 0.000 0.250 81 R C -2.300 173.959 176.300 -0.068 0.000 0.912 81 R CA -0.085 55.944 56.100 -0.118 0.000 0.633 81 R CB -1.742 28.460 30.300 -0.163 0.000 1.180 81 R HN 0.324 nan 8.270 nan 0.000 0.464 82 P HA 0.026 nan 4.420 nan 0.000 0.275 82 P C 0.162 177.429 177.300 -0.055 0.000 1.227 82 P CA -0.141 62.932 63.100 -0.045 0.000 0.781 82 P CB 0.729 32.388 31.700 -0.069 0.000 0.906 83 R N 0.674 121.150 120.500 -0.040 0.000 2.223 83 R HA 0.150 4.491 4.340 0.002 0.000 0.198 83 R C 0.241 176.508 176.300 -0.056 0.000 0.984 83 R CA 0.797 56.873 56.100 -0.039 0.000 1.018 83 R CB -0.024 30.267 30.300 -0.015 0.000 0.945 83 R HN 0.499 nan 8.270 nan 0.000 0.479 84 T N 1.018 115.525 114.554 -0.079 0.000 2.921 84 T HA 0.537 4.888 4.350 0.002 0.000 0.297 84 T C -0.350 174.278 174.700 -0.120 0.000 1.013 84 T CA -0.444 61.603 62.100 -0.088 0.000 0.990 84 T CB 2.306 71.118 68.868 -0.092 0.000 1.023 84 T HN -0.100 nan 8.240 nan 0.000 0.447 85 I N 2.713 123.184 120.570 -0.164 0.000 2.389 85 I HA 0.477 4.648 4.170 0.002 0.000 0.288 85 I C -0.584 175.395 176.117 -0.229 0.000 0.999 85 I CA -0.998 60.137 61.300 -0.274 0.000 1.129 85 I CB 1.804 39.492 38.000 -0.520 0.000 1.288 85 I HN 0.296 nan 8.210 nan 0.000 0.444 86 V N 5.793 125.570 119.914 -0.227 0.000 2.435 86 V HA 0.387 4.508 4.120 0.002 0.000 0.290 86 V C -0.181 175.662 176.094 -0.418 0.000 1.030 86 V CA -0.561 61.581 62.300 -0.263 0.000 0.881 86 V CB 1.651 33.335 31.823 -0.232 0.000 0.983 86 V HN 0.693 nan 8.190 nan 0.000 0.445 87 E N 3.507 123.525 120.200 -0.304 0.000 2.216 87 E HA 0.495 4.847 4.350 0.002 0.000 0.260 87 E C -1.559 174.913 176.600 -0.214 0.000 0.880 87 E CA -0.841 55.399 56.400 -0.266 0.000 0.765 87 E CB 1.575 31.212 29.700 -0.104 0.000 1.174 87 E HN 0.493 nan 8.360 nan 0.000 0.417 88 L N 3.505 124.575 121.223 -0.254 0.000 2.360 88 L HA 0.432 4.773 4.340 0.002 0.000 0.276 88 L C 0.539 177.359 176.870 -0.083 0.000 1.121 88 L CA 0.885 55.657 54.840 -0.113 0.000 0.845 88 L CB 1.114 43.150 42.059 -0.037 0.000 1.143 88 L HN 0.730 nan 8.230 nan 0.000 0.452 89 G N 2.884 111.658 108.800 -0.044 0.000 3.292 89 G HA2 -0.070 3.891 3.960 0.002 0.000 0.636 89 G HA3 -0.070 3.891 3.960 0.002 0.000 0.636 89 G C 0.206 175.117 174.900 0.017 0.000 1.069 89 G CA -0.345 44.739 45.100 -0.027 0.000 0.890 89 G HN 0.443 nan 8.290 nan 0.000 0.427 90 V N 3.730 123.677 119.914 0.056 0.000 2.581 90 V HA 0.191 4.312 4.120 0.002 0.000 0.240 90 V C 1.666 177.854 176.094 0.157 0.000 1.054 90 V CA 2.183 64.528 62.300 0.075 0.000 1.076 90 V CB -1.022 30.828 31.823 0.044 0.000 0.748 90 V HN 1.546 nan 8.190 nan 0.000 0.474 91 Y N 2.233 122.540 120.300 0.011 0.000 2.817 91 Y HA -0.499 4.052 4.550 0.002 0.000 0.471 91 Y C 1.857 177.775 175.900 0.029 0.000 1.142 91 Y CA 2.289 60.406 58.100 0.028 0.000 2.725 91 Y CB -1.529 36.954 38.460 0.038 0.000 1.169 91 Y HN 0.493 nan 8.280 nan 0.000 0.619 92 N N 1.897 120.455 118.700 -0.237 0.000 2.373 92 N HA 0.196 4.937 4.740 0.002 0.000 0.181 92 N C 1.538 177.006 175.510 -0.070 0.000 1.082 92 N CA 1.549 54.435 53.050 -0.274 0.000 0.885 92 N CB 0.612 38.924 38.487 -0.292 0.000 0.977 92 N HN 1.501 nan 8.380 nan 0.000 0.462 93 G N -0.526 108.279 108.800 0.009 0.000 2.175 93 G HA2 -0.270 3.692 3.960 0.002 0.000 0.244 93 G HA3 -0.270 3.692 3.960 0.002 0.000 0.244 93 G C 1.048 175.982 174.900 0.057 0.000 0.982 93 G CA 0.469 45.588 45.100 0.033 0.000 0.641 93 G HN 0.635 nan 8.290 nan 0.000 0.527 94 G N 1.292 110.124 108.800 0.054 0.000 2.491 94 G HA2 -0.084 3.878 3.960 0.002 0.000 0.218 94 G HA3 -0.084 3.878 3.960 0.002 0.000 0.218 94 G C 2.187 177.107 174.900 0.032 0.000 1.180 94 G CA 2.611 47.751 45.100 0.066 0.000 0.774 94 G HN 1.681 nan 8.290 nan 0.000 0.562 95 S N 0.148 115.825 115.700 -0.038 0.000 2.428 95 S HA 0.034 4.506 4.470 0.002 0.000 0.230 95 S C 2.241 176.851 174.600 0.018 0.000 1.014 95 S CA 1.013 59.127 58.200 -0.144 0.000 0.957 95 S CB -0.218 62.874 63.200 -0.181 0.000 0.784 95 S HN 0.087 nan 8.310 nan 0.000 0.499 96 L N 2.217 123.509 121.223 0.115 0.000 2.017 96 L HA 0.134 4.476 4.340 0.002 0.000 0.208 96 L C 3.007 179.960 176.870 0.138 0.000 1.073 96 L CA 1.674 56.611 54.840 0.162 0.000 0.745 96 L CB -1.452 40.666 42.059 0.099 0.000 0.894 96 L HN 0.439 nan 8.230 nan 0.000 0.432 97 A N -2.042 120.856 122.820 0.131 0.000 1.969 97 A HA -0.262 4.059 4.320 0.002 0.000 0.218 97 A C 2.160 179.839 177.584 0.159 0.000 1.169 97 A CA 1.427 53.568 52.037 0.173 0.000 0.635 97 A CB -1.114 18.032 19.000 0.243 0.000 0.810 97 A HN 0.609 nan 8.150 nan 0.000 0.445 98 W N -0.408 120.741 121.300 -0.252 0.000 2.407 98 W HA -0.080 4.581 4.660 0.002 0.000 0.305 98 W C 1.780 178.007 176.519 -0.487 0.000 1.196 98 W CA 1.633 58.521 57.345 -0.762 0.000 1.311 98 W CB -0.526 28.304 29.460 -1.051 0.000 1.135 98 W HN 0.290 nan 8.180 nan 0.000 0.514 99 F N 0.513 120.313 119.950 -0.251 0.000 2.126 99 F HA -0.242 4.286 4.527 0.003 0.000 0.299 99 F C 2.835 178.458 175.800 -0.296 0.000 1.096 99 F CA 1.590 59.364 58.000 -0.378 0.000 1.255 99 F CB -0.577 38.301 39.000 -0.204 0.000 0.997 99 F HN -0.216 nan 8.300 nan 0.000 0.479 100 R N 0.942 121.459 120.500 0.028 0.000 2.081 100 R HA -0.158 4.183 4.340 0.002 0.000 0.235 100 R C 1.585 177.868 176.300 -0.029 0.000 1.131 100 R CA 1.960 58.065 56.100 0.007 0.000 0.960 100 R CB -0.742 29.584 30.300 0.043 0.000 0.856 100 R HN 0.213 nan 8.270 nan 0.000 0.436 101 D N 0.555 120.932 120.400 -0.038 0.000 2.117 101 D HA -0.140 4.501 4.640 0.002 0.000 0.198 101 D C 2.001 178.244 176.300 -0.095 0.000 0.982 101 D CA 0.845 54.853 54.000 0.013 0.000 0.828 101 D CB -0.160 40.778 40.800 0.230 0.000 0.967 101 D HN 0.130 nan 8.370 nan 0.000 0.464 102 L N 0.794 121.819 121.223 -0.330 0.000 2.093 102 L HA -0.129 4.213 4.340 0.002 0.000 0.208 102 L C 2.589 179.358 176.870 -0.168 0.000 1.085 102 L CA 1.489 56.116 54.840 -0.355 0.000 0.755 102 L CB -0.737 40.873 42.059 -0.748 0.000 0.904 102 L HN 0.144 nan 8.230 nan 0.000 0.435 103 T N -3.459 111.009 114.554 -0.143 0.000 2.821 103 T HA -0.231 4.120 4.350 0.002 0.000 0.267 103 T C 1.969 176.651 174.700 -0.029 0.000 1.046 103 T CA 1.168 63.225 62.100 -0.072 0.000 1.139 103 T CB -0.288 68.538 68.868 -0.070 0.000 0.871 103 T HN 0.212 nan 8.240 nan 0.000 0.454 104 K N 0.435 120.823 120.400 -0.021 0.000 2.057 104 K HA 0.003 4.324 4.320 0.002 0.000 0.206 104 K C 2.164 178.780 176.600 0.027 0.000 1.050 104 K CA 1.168 57.459 56.287 0.007 0.000 0.935 104 K CB -0.306 32.204 32.500 0.017 0.000 0.715 104 K HN 0.318 nan 8.250 nan 0.000 0.439 105 I N 0.967 121.557 120.570 0.033 0.000 3.001 105 I HA -0.096 4.076 4.170 0.002 0.000 0.268 105 I C 1.635 177.808 176.117 0.093 0.000 1.267 105 I CA 0.961 62.296 61.300 0.059 0.000 1.472 105 I CB 0.075 38.114 38.000 0.064 0.000 1.089 105 I HN 0.203 nan 8.210 nan 0.000 0.468 106 M N -0.653 119.009 119.600 0.103 0.000 2.561 106 M HA 0.230 4.711 4.480 0.002 0.000 0.238 106 M C 1.452 177.820 176.300 0.113 0.000 1.131 106 M CA 0.749 56.166 55.300 0.195 0.000 1.046 106 M CB 0.076 32.800 32.600 0.205 0.000 1.532 106 M HN 0.355 nan 8.290 nan 0.000 0.497 107 G N 1.797 110.633 108.800 0.059 0.000 2.143 107 G HA2 -0.249 3.713 3.960 0.002 0.000 0.248 107 G HA3 -0.249 3.713 3.960 0.002 0.000 0.248 107 G C 0.034 174.931 174.900 -0.004 0.000 0.991 107 G CA -0.197 44.919 45.100 0.028 0.000 0.689 107 G HN 0.467 nan 8.290 nan 0.000 0.522 108 I N 0.936 121.497 120.570 -0.014 0.000 2.365 108 I HA 0.279 4.451 4.170 0.002 0.000 0.291 108 I C 0.209 176.310 176.117 -0.026 0.000 1.004 108 I CA -0.627 60.651 61.300 -0.036 0.000 1.311 108 I CB 1.256 39.223 38.000 -0.055 0.000 1.401 108 I HN 0.081 nan 8.210 nan 0.000 0.491 109 D N 6.487 126.873 120.400 -0.025 0.000 2.402 109 D HA 0.148 4.789 4.640 0.002 0.000 0.235 109 D C -1.153 175.133 176.300 -0.023 0.000 1.226 109 D CA -0.018 53.971 54.000 -0.017 0.000 0.918 109 D CB 0.513 41.306 40.800 -0.011 0.000 1.043 109 D HN 0.459 nan 8.370 nan 0.000 0.506 110 C N 5.618 124.902 119.300 -0.026 0.000 2.346 110 C HA 0.373 4.834 4.460 0.002 0.000 0.326 110 C C -0.698 174.274 174.990 -0.030 0.000 1.224 110 C CA -0.751 58.244 59.018 -0.038 0.000 1.408 110 C CB 0.778 28.483 27.740 -0.058 0.000 2.089 110 C HN 0.518 nan 8.230 nan 0.000 0.456 111 Q N 3.747 123.531 119.800 -0.027 0.000 2.288 111 Q HA 0.351 4.692 4.340 0.002 0.000 0.258 111 Q C -0.349 175.632 176.000 -0.032 0.000 0.957 111 Q CA 0.045 55.838 55.803 -0.016 0.000 0.919 111 Q CB 1.634 30.371 28.738 -0.002 0.000 1.185 111 Q HN 0.650 nan 8.270 nan 0.000 0.408 112 V N 5.076 124.978 119.914 -0.021 0.000 2.394 112 V HA 0.434 4.555 4.120 0.002 0.000 0.282 112 V C 0.195 176.285 176.094 -0.006 0.000 1.031 112 V CA -0.464 61.818 62.300 -0.030 0.000 0.881 112 V CB 1.223 33.050 31.823 0.008 0.000 0.982 112 V HN 0.596 nan 8.190 nan 0.000 0.451 113 I N 3.844 124.404 120.570 -0.016 0.000 2.406 113 I HA 0.652 4.823 4.170 0.002 0.000 0.290 113 I C 0.571 176.695 176.117 0.011 0.000 0.999 113 I CA -0.238 61.082 61.300 0.033 0.000 1.124 113 I CB 1.993 40.035 38.000 0.070 0.000 1.289 113 I HN 0.710 nan 8.210 nan 0.000 0.441 114 G N 6.850 115.675 108.800 0.042 0.000 2.470 114 G HA2 0.794 4.755 3.960 0.002 0.000 0.320 114 G HA3 0.794 4.755 3.960 0.002 0.000 0.320 114 G C -0.991 173.936 174.900 0.046 0.000 1.245 114 G CA -0.378 44.733 45.100 0.018 0.000 0.935 114 G HN 0.447 nan 8.290 nan 0.000 0.476 115 I N 1.555 122.127 120.570 0.004 0.000 2.509 115 I HA 0.520 4.691 4.170 0.002 0.000 0.293 115 I C -1.018 175.088 176.117 -0.018 0.000 1.020 115 I CA -0.624 60.670 61.300 -0.009 0.000 1.088 115 I CB 2.570 40.529 38.000 -0.069 0.000 1.267 115 I HN 0.309 nan 8.210 nan 0.000 0.430 116 D N 3.207 123.595 120.400 -0.019 0.000 2.706 116 D HA 0.154 4.795 4.640 0.002 0.000 0.227 116 D C 0.032 176.324 176.300 -0.014 0.000 1.233 116 D CA -0.537 53.459 54.000 -0.006 0.000 0.768 116 D CB 1.912 42.722 40.800 0.017 0.000 1.490 116 D HN 0.646 nan 8.370 nan 0.000 0.458 117 R N 0.911 121.408 120.500 -0.005 0.000 2.236 117 R HA 0.068 4.410 4.340 0.002 0.000 0.208 117 R C -0.127 176.174 176.300 0.002 0.000 1.036 117 R CA 0.598 56.693 56.100 -0.007 0.000 1.001 117 R CB 0.249 30.550 30.300 0.001 0.000 0.896 117 R HN 0.089 nan 8.270 nan 0.000 0.464 118 D N 0.249 120.658 120.400 0.015 0.000 2.402 118 D HA 0.190 4.832 4.640 0.002 0.000 0.252 118 D C 0.100 176.412 176.300 0.020 0.000 1.294 118 D CA -0.497 53.515 54.000 0.020 0.000 0.948 118 D CB 1.329 42.151 40.800 0.036 0.000 1.202 118 D HN 0.085 nan 8.370 nan 0.000 0.561 119 L N 2.154 123.379 121.223 0.003 0.000 2.592 119 L HA 0.059 4.401 4.340 0.002 0.000 0.227 119 L C 2.152 179.013 176.870 -0.016 0.000 1.127 119 L CA 0.311 55.147 54.840 -0.007 0.000 0.884 119 L CB -0.087 41.962 42.059 -0.018 0.000 1.065 119 L HN 0.373 nan 8.230 nan 0.000 0.457 120 S N 0.001 115.696 115.700 -0.009 0.000 2.469 120 S HA -0.157 4.314 4.470 0.002 0.000 0.238 120 S C 1.881 176.464 174.600 -0.028 0.000 0.998 120 S CA 0.708 58.901 58.200 -0.013 0.000 0.957 120 S CB -0.167 63.033 63.200 -0.001 0.000 0.764 120 S HN 0.443 nan 8.310 nan 0.000 0.514 121 R N -0.292 120.180 120.500 -0.046 0.000 2.312 121 R HA 0.323 4.665 4.340 0.002 0.000 0.205 121 R C 0.799 176.998 176.300 -0.169 0.000 0.904 121 R CA 0.069 56.097 56.100 -0.120 0.000 1.052 121 R CB -0.414 29.777 30.300 -0.182 0.000 1.014 121 R HN 0.447 nan 8.270 nan 0.000 0.503 122 C N 1.384 120.622 119.300 -0.103 0.000 2.642 122 C HA 0.048 4.510 4.460 0.002 0.000 0.420 122 C C 0.869 175.815 174.990 -0.072 0.000 1.349 122 C CA 0.289 59.255 59.018 -0.086 0.000 1.821 122 C CB 0.086 27.800 27.740 -0.043 0.000 2.637 122 C HN 0.532 nan 8.230 nan 0.000 0.605 123 Q N 3.994 123.755 119.800 -0.066 0.000 2.055 123 Q HA 0.282 4.624 4.340 0.002 0.000 0.226 123 Q C -0.567 175.415 176.000 -0.029 0.000 0.805 123 Q CA -0.043 55.730 55.803 -0.051 0.000 1.072 123 Q CB 0.453 29.151 28.738 -0.067 0.000 1.219 123 Q HN 0.769 nan 8.270 nan 0.000 0.451 124 I N 4.045 124.606 120.570 -0.016 0.000 2.436 124 I HA 0.137 4.308 4.170 0.002 0.000 0.289 124 I C -1.904 174.210 176.117 -0.005 0.000 1.083 124 I CA -1.713 59.587 61.300 0.001 0.000 1.372 124 I CB 0.255 38.265 38.000 0.018 0.000 1.408 124 I HN -0.151 nan 8.210 nan 0.000 0.516 125 P HA 0.003 nan 4.420 nan 0.000 0.266 125 P C 0.528 177.825 177.300 -0.004 0.000 1.195 125 P CA -0.137 62.958 63.100 -0.008 0.000 0.768 125 P CB 0.909 32.603 31.700 -0.010 0.000 0.838 126 A N 3.062 125.878 122.820 -0.007 0.000 1.978 126 A HA -0.198 4.124 4.320 0.002 0.000 0.220 126 A C 2.139 179.721 177.584 -0.003 0.000 1.170 126 A CA 2.107 54.140 52.037 -0.006 0.000 0.636 126 A CB -1.549 17.446 19.000 -0.009 0.000 0.810 126 A HN 0.650 nan 8.150 nan 0.000 0.448 127 S N -0.603 115.095 115.700 -0.003 0.000 2.469 127 S HA -0.113 4.358 4.470 0.002 0.000 0.238 127 S C 0.621 175.223 174.600 0.004 0.000 0.998 127 S CA 1.310 59.510 58.200 -0.001 0.000 0.957 127 S CB -0.191 63.007 63.200 -0.004 0.000 0.764 127 S HN 0.540 nan 8.310 nan 0.000 0.514 128 D N 0.094 120.499 120.400 0.007 0.000 2.593 128 D HA 0.302 4.943 4.640 0.002 0.000 0.241 128 D C 0.359 176.674 176.300 0.026 0.000 1.257 128 D CA -0.030 53.981 54.000 0.019 0.000 0.828 128 D CB 0.519 41.331 40.800 0.020 0.000 1.049 128 D HN 0.373 nan 8.370 nan 0.000 0.490 129 M N 0.302 119.912 119.600 0.016 0.000 2.346 129 M HA 0.086 4.567 4.480 0.002 0.000 0.280 129 M C 0.580 176.887 176.300 0.012 0.000 1.075 129 M CA 0.013 55.322 55.300 0.014 0.000 0.989 129 M CB 0.554 33.156 32.600 0.002 0.000 1.447 129 M HN -0.005 nan 8.290 nan 0.000 0.511 130 E N 1.922 122.131 120.200 0.015 0.000 2.502 130 E HA -0.143 4.209 4.350 0.002 0.000 0.261 130 E C -0.039 176.570 176.600 0.014 0.000 0.974 130 E CA 0.416 56.823 56.400 0.013 0.000 0.936 130 E CB 0.349 30.058 29.700 0.014 0.000 0.926 130 E HN 0.259 nan 8.360 nan 0.000 0.459 131 N N 2.053 120.758 118.700 0.009 0.000 2.725 131 N HA -0.198 4.543 4.740 0.002 0.000 0.249 131 N C -1.288 174.227 175.510 0.009 0.000 1.103 131 N CA 1.175 54.230 53.050 0.008 0.000 0.707 131 N CB -1.135 37.357 38.487 0.008 0.000 1.043 131 N HN 0.435 nan 8.380 nan 0.000 0.553 132 I N -0.179 120.395 120.570 0.007 0.000 2.499 132 I HA 0.278 4.449 4.170 0.002 0.000 0.288 132 I C -0.171 175.937 176.117 -0.015 0.000 1.048 132 I CA -0.502 60.801 61.300 0.005 0.000 1.062 132 I CB 2.267 40.276 38.000 0.015 0.000 1.238 132 I HN -0.199 nan 8.210 nan 0.000 0.426 133 T N 6.543 121.085 114.554 -0.020 0.000 2.815 133 T HA 0.532 4.883 4.350 0.002 0.000 0.289 133 T C -0.462 174.174 174.700 -0.106 0.000 1.000 133 T CA -0.501 61.554 62.100 -0.076 0.000 0.958 133 T CB 1.263 70.105 68.868 -0.042 0.000 0.944 133 T HN 0.072 nan 8.240 nan 0.000 0.442 134 L N 3.444 124.563 121.223 -0.174 0.000 2.343 134 L HA 0.535 4.876 4.340 0.002 0.000 0.275 134 L C -0.084 176.595 176.870 -0.320 0.000 1.056 134 L CA -0.366 54.386 54.840 -0.146 0.000 0.804 134 L CB 0.629 42.635 42.059 -0.090 0.000 1.203 134 L HN 0.682 nan 8.230 nan 0.000 0.440 135 H N 0.501 119.546 119.070 -0.042 0.000 2.667 135 H HA 0.449 5.006 4.556 0.002 0.000 0.353 135 H C -0.888 174.395 175.328 -0.074 0.000 1.072 135 H CA -0.585 55.428 56.048 -0.059 0.000 1.214 135 H CB 1.868 31.587 29.762 -0.072 0.000 1.600 135 H HN 0.520 nan 8.280 nan 0.000 0.527 136 Q N 2.154 121.974 119.800 0.033 0.000 2.243 136 Q HA 0.622 4.964 4.340 0.002 0.000 0.252 136 Q C -0.614 175.358 176.000 -0.048 0.000 0.909 136 Q CA -0.573 55.222 55.803 -0.014 0.000 0.922 136 Q CB 1.165 29.889 28.738 -0.024 0.000 1.215 136 Q HN 0.931 nan 8.270 nan 0.000 0.427 137 G N 2.605 111.361 108.800 -0.074 0.000 2.402 137 G HA2 0.049 4.011 3.960 0.002 0.000 0.301 137 G HA3 0.049 4.011 3.960 0.002 0.000 0.301 137 G C -1.903 172.928 174.900 -0.115 0.000 1.615 137 G CA -0.850 44.178 45.100 -0.122 0.000 0.889 137 G HN 0.588 nan 8.290 nan 0.000 0.647 138 D N 0.132 120.478 120.400 -0.090 0.000 2.304 138 D HA 0.256 4.898 4.640 0.002 0.000 0.250 138 D C 1.281 177.555 176.300 -0.043 0.000 1.107 138 D CA -0.320 53.656 54.000 -0.041 0.000 0.885 138 D CB 1.677 42.473 40.800 -0.007 0.000 1.192 138 D HN 0.278 nan 8.370 nan 0.000 0.436 139 C N 1.507 120.833 119.300 0.043 0.000 2.450 139 C HA -0.091 4.370 4.460 0.002 0.000 0.279 139 C C 2.794 177.932 174.990 0.247 0.000 1.335 139 C CA 0.399 59.539 59.018 0.204 0.000 1.749 139 C CB -0.718 27.179 27.740 0.262 0.000 1.963 139 C HN 0.689 nan 8.230 nan 0.000 0.501 140 S N 0.070 115.860 115.700 0.151 0.000 2.469 140 S HA -0.132 4.340 4.470 0.002 0.000 0.238 140 S C 0.318 174.988 174.600 0.116 0.000 0.998 140 S CA 1.046 59.326 58.200 0.133 0.000 0.957 140 S CB -0.418 62.841 63.200 0.098 0.000 0.764 140 S HN 0.647 nan 8.310 nan 0.000 0.514 141 D N 0.508 120.964 120.400 0.093 0.000 2.303 141 D HA 0.258 4.900 4.640 0.002 0.000 0.236 141 D C 0.871 177.222 176.300 0.085 0.000 1.068 141 D CA -0.324 53.713 54.000 0.063 0.000 0.830 141 D CB 0.958 41.765 40.800 0.011 0.000 1.109 141 D HN 0.127 nan 8.370 nan 0.000 0.496 142 L N 2.539 123.827 121.223 0.108 0.000 2.362 142 L HA -0.111 4.231 4.340 0.002 0.000 0.219 142 L C 2.182 179.068 176.870 0.028 0.000 1.134 142 L CA 1.183 56.099 54.840 0.128 0.000 0.807 142 L CB -0.347 41.759 42.059 0.079 0.000 0.927 142 L HN 0.538 nan 8.230 nan 0.000 0.447 143 T N -5.250 109.308 114.554 0.007 0.000 2.915 143 T HA -0.162 4.190 4.350 0.002 0.000 0.269 143 T C 1.770 176.441 174.700 -0.047 0.000 1.071 143 T CA 1.425 63.539 62.100 0.024 0.000 1.132 143 T CB -0.543 68.367 68.868 0.071 0.000 0.878 143 T HN 0.160 nan 8.240 nan 0.000 0.479 144 T N 1.623 116.043 114.554 -0.225 0.000 2.721 144 T HA -0.064 4.287 4.350 0.002 0.000 0.268 144 T C 1.187 175.507 174.700 -0.634 0.000 1.038 144 T CA 1.619 63.432 62.100 -0.479 0.000 1.145 144 T CB -0.534 67.884 68.868 -0.751 0.000 0.858 144 T HN 0.584 nan 8.240 nan 0.000 0.459 145 F N 0.615 120.346 119.950 -0.365 0.000 2.446 145 F HA 0.253 4.781 4.527 0.002 0.000 0.292 145 F C 2.361 177.921 175.800 -0.401 0.000 1.096 145 F CA 0.133 57.731 58.000 -0.670 0.000 1.438 145 F CB -0.205 37.833 39.000 -1.603 0.000 1.107 145 F HN 0.099 nan 8.300 nan 0.000 0.546 146 E N -0.631 119.517 120.200 -0.088 0.000 2.268 146 E HA -0.153 4.198 4.350 0.002 0.000 0.195 146 E C 1.414 178.012 176.600 -0.003 0.000 0.995 146 E CA 0.744 57.191 56.400 0.078 0.000 0.836 146 E CB -0.141 29.567 29.700 0.013 0.000 0.763 146 E HN 0.459 nan 8.360 nan 0.000 0.491 147 H N -0.355 118.705 119.070 -0.018 0.000 2.539 147 H HA 0.123 4.680 4.556 0.002 0.000 0.267 147 H C 0.182 175.495 175.328 -0.026 0.000 0.982 147 H CA 0.115 56.151 56.048 -0.020 0.000 1.146 147 H CB 0.204 29.934 29.762 -0.054 0.000 1.382 147 H HN 0.080 nan 8.280 nan 0.000 0.577 148 L N 1.820 123.086 121.223 0.071 0.000 2.417 148 L HA 0.153 4.495 4.340 0.002 0.000 0.268 148 L C 0.986 177.925 176.870 0.116 0.000 1.158 148 L CA -0.219 54.649 54.840 0.045 0.000 0.819 148 L CB 0.791 42.910 42.059 0.101 0.000 1.112 148 L HN -0.004 nan 8.230 nan 0.000 0.458 149 R N 0.994 121.555 120.500 0.102 0.000 2.574 149 R HA 0.239 4.580 4.340 0.002 0.000 0.266 149 R C -0.360 176.011 176.300 0.118 0.000 1.157 149 R CA -0.938 55.226 56.100 0.106 0.000 1.187 149 R CB 0.314 30.674 30.300 0.100 0.000 1.179 149 R HN 0.442 nan 8.270 nan 0.000 0.600 150 E N 0.773 121.034 120.200 0.102 0.000 2.414 150 E HA 0.018 4.369 4.350 0.002 0.000 0.263 150 E C -0.485 176.172 176.600 0.095 0.000 1.000 150 E CA 0.649 57.112 56.400 0.106 0.000 0.914 150 E CB 0.464 30.218 29.700 0.091 0.000 0.948 150 E HN 0.215 nan 8.360 nan 0.000 0.444 151 M N 2.361 122.015 119.600 0.091 0.000 2.456 151 M HA 0.510 4.991 4.480 0.002 0.000 0.324 151 M C -0.360 175.927 176.300 -0.021 0.000 1.124 151 M CA -1.042 54.267 55.300 0.017 0.000 0.959 151 M CB 2.106 34.689 32.600 -0.027 0.000 1.692 151 M HN 0.532 nan 8.290 nan 0.000 0.444 152 A N 1.327 124.131 122.820 -0.027 0.000 2.386 152 A HA 0.492 4.814 4.320 0.002 0.000 0.248 152 A C -0.970 176.535 177.584 -0.131 0.000 1.082 152 A CA -0.046 52.003 52.037 0.020 0.000 0.789 152 A CB 0.001 19.016 19.000 0.025 0.000 1.025 152 A HN 0.858 nan 8.150 nan 0.000 0.490 153 H N 0.393 119.478 119.070 0.025 0.000 2.670 153 H HA 0.572 5.129 4.556 0.002 0.000 0.361 153 H C -2.372 172.966 175.328 0.016 0.000 1.169 153 H CA -1.528 54.536 56.048 0.028 0.000 1.198 153 H CB 0.696 30.474 29.762 0.026 0.000 1.700 153 H HN 0.459 nan 8.280 nan 0.000 0.542 154 P HA 0.211 nan 4.420 nan 0.000 0.274 154 P C -1.028 176.308 177.300 0.060 0.000 1.246 154 P CA -0.554 62.636 63.100 0.150 0.000 0.795 154 P CB 0.878 32.649 31.700 0.117 0.000 1.006 155 L N 0.739 122.012 121.223 0.084 0.000 2.388 155 L HA 0.621 4.962 4.340 0.002 0.000 0.264 155 L C -1.418 175.520 176.870 0.115 0.000 0.998 155 L CA -0.715 54.136 54.840 0.019 0.000 0.817 155 L CB 1.562 43.573 42.059 -0.081 0.000 1.338 155 L HN 0.200 nan 8.230 nan 0.000 0.414 156 I N 3.838 124.439 120.570 0.051 0.000 2.439 156 I HA 0.311 4.483 4.170 0.002 0.000 0.285 156 I C -1.337 174.807 176.117 0.045 0.000 1.021 156 I CA -0.283 61.065 61.300 0.079 0.000 1.091 156 I CB 1.708 39.672 38.000 -0.061 0.000 1.242 156 I HN 0.435 nan 8.210 nan 0.000 0.439 157 F N 7.917 127.849 119.950 -0.030 0.000 2.411 157 F HA 0.645 5.173 4.527 0.002 0.000 0.352 157 F C -0.620 175.006 175.800 -0.289 0.000 1.123 157 F CA -0.474 57.452 58.000 -0.124 0.000 1.044 157 F CB 0.899 39.875 39.000 -0.040 0.000 1.135 157 F HN 0.227 nan 8.300 nan 0.000 0.461 158 I N 5.402 125.716 120.570 -0.427 0.000 2.439 158 I HA 0.164 4.336 4.170 0.002 0.000 0.283 158 I C -1.140 174.802 176.117 -0.291 0.000 1.023 158 I CA -0.804 60.348 61.300 -0.248 0.000 1.100 158 I CB 1.593 39.508 38.000 -0.142 0.000 1.238 158 I HN 0.463 nan 8.210 nan 0.000 0.445 159 D N 5.392 125.686 120.400 -0.176 0.000 2.336 159 D HA 0.110 4.752 4.640 0.002 0.000 0.249 159 D C 0.086 176.389 176.300 0.004 0.000 1.213 159 D CA 0.413 54.389 54.000 -0.040 0.000 0.870 159 D CB 0.867 41.732 40.800 0.109 0.000 1.076 159 D HN 0.413 nan 8.370 nan 0.000 0.483 160 D N 2.514 122.848 120.400 -0.111 0.000 2.503 160 D HA 0.167 4.808 4.640 0.002 0.000 0.218 160 D C 0.825 176.712 176.300 -0.688 0.000 1.183 160 D CA 0.019 53.868 54.000 -0.252 0.000 0.827 160 D CB 1.017 41.760 40.800 -0.094 0.000 1.034 160 D HN 0.477 nan 8.370 nan 0.000 0.510 161 A N 0.035 122.572 122.820 -0.472 0.000 2.063 161 A HA 0.012 4.334 4.320 0.002 0.000 0.211 161 A C 0.736 178.178 177.584 -0.236 0.000 1.177 161 A CA 0.568 52.406 52.037 -0.331 0.000 0.759 161 A CB -0.138 18.833 19.000 -0.049 0.000 0.857 161 A HN 0.284 nan 8.150 nan 0.000 0.468 162 H N -2.277 116.901 119.070 0.179 0.000 3.415 162 H HA -0.183 4.374 4.556 0.002 0.000 0.213 162 H C 0.412 175.958 175.328 0.364 0.000 1.091 162 H CA 0.567 56.773 56.048 0.264 0.000 1.182 162 H CB -2.261 27.600 29.762 0.165 0.000 1.160 162 H HN 0.844 nan 8.280 nan 0.000 0.319 163 A N 0.538 123.564 122.820 0.344 0.000 2.317 163 A HA 0.518 4.839 4.320 0.002 0.000 0.327 163 A C 1.155 178.899 177.584 0.267 0.000 1.178 163 A CA 0.246 52.457 52.037 0.290 0.000 0.817 163 A CB 0.749 19.874 19.000 0.208 0.000 1.189 163 A HN 0.481 nan 8.150 nan 0.000 0.489 164 N N 1.285 120.123 118.700 0.230 0.000 2.708 164 N HA -0.211 4.530 4.740 0.002 0.000 0.249 164 N C 0.749 176.374 175.510 0.191 0.000 1.097 164 N CA 0.748 53.913 53.050 0.190 0.000 0.710 164 N CB -0.507 38.087 38.487 0.179 0.000 1.032 164 N HN 0.731 nan 8.380 nan 0.000 0.551 165 T N -0.531 114.153 114.554 0.216 0.000 2.684 165 T HA -0.143 4.209 4.350 0.002 0.000 0.267 165 T C 1.248 175.961 174.700 0.022 0.000 1.036 165 T CA 1.659 63.872 62.100 0.188 0.000 1.148 165 T CB -0.292 68.767 68.868 0.320 0.000 0.863 165 T HN 0.355 nan 8.240 nan 0.000 0.436 166 F N 1.630 121.621 119.950 0.068 0.000 2.259 166 F HA 0.012 4.540 4.527 0.002 0.000 0.298 166 F C 2.427 178.247 175.800 0.033 0.000 1.088 166 F CA 0.458 58.455 58.000 -0.006 0.000 1.358 166 F CB -0.288 38.671 39.000 -0.069 0.000 1.040 166 F HN 0.080 nan 8.300 nan 0.000 0.505 167 N N 0.433 119.243 118.700 0.183 0.000 2.244 167 N HA -0.097 4.644 4.740 0.002 0.000 0.183 167 N C 1.934 177.508 175.510 0.107 0.000 1.016 167 N CA 1.090 54.219 53.050 0.132 0.000 0.866 167 N CB -0.317 38.233 38.487 0.105 0.000 0.980 167 N HN 0.273 nan 8.380 nan 0.000 0.430 168 I N 0.498 121.097 120.570 0.048 0.000 2.315 168 I HA -0.165 4.007 4.170 0.002 0.000 0.248 168 I C 2.352 178.451 176.117 -0.031 0.000 1.117 168 I CA 0.709 61.964 61.300 -0.075 0.000 1.404 168 I CB -0.053 37.871 38.000 -0.126 0.000 1.071 168 I HN 0.098 nan 8.210 nan 0.000 0.419 169 M N 0.570 120.072 119.600 -0.163 0.000 2.175 169 M HA -0.234 4.248 4.480 0.002 0.000 0.264 169 M C 2.294 178.467 176.300 -0.212 0.000 1.063 169 M CA 1.681 56.551 55.300 -0.717 0.000 1.119 169 M CB -0.049 31.851 32.600 -1.167 0.000 1.377 169 M HN 0.030 nan 8.290 nan 0.000 0.415 170 K N -0.572 119.915 120.400 0.146 0.000 2.026 170 K HA -0.258 4.064 4.320 0.002 0.000 0.208 170 K C 1.802 178.464 176.600 0.103 0.000 1.048 170 K CA 2.028 58.438 56.287 0.204 0.000 0.929 170 K CB -0.531 32.061 32.500 0.153 0.000 0.713 170 K HN 0.558 nan 8.250 nan 0.000 0.439 171 W N 1.062 122.344 121.300 -0.030 0.000 2.355 171 W HA -0.172 4.489 4.660 0.001 0.000 0.309 171 W C 1.915 178.438 176.519 0.007 0.000 1.206 171 W CA 2.294 59.668 57.345 0.049 0.000 1.284 171 W CB -0.423 29.019 29.460 -0.031 0.000 1.145 171 W HN 0.191 nan 8.180 nan 0.000 0.502 172 A N -0.097 122.683 122.820 -0.067 0.000 1.933 172 A HA -0.168 4.153 4.320 0.002 0.000 0.218 172 A C 2.005 179.372 177.584 -0.361 0.000 1.175 172 A CA 2.173 53.993 52.037 -0.361 0.000 0.628 172 A CB -1.193 17.661 19.000 -0.242 0.000 0.814 172 A HN 0.218 nan 8.150 nan 0.000 0.444 173 V N 0.601 120.360 119.914 -0.258 0.000 2.343 173 V HA -0.210 3.911 4.120 0.002 0.000 0.247 173 V C 1.888 177.810 176.094 -0.287 0.000 1.051 173 V CA 2.303 64.482 62.300 -0.201 0.000 1.036 173 V CB -0.623 31.152 31.823 -0.080 0.000 0.654 173 V HN 0.524 nan 8.190 nan 0.000 0.451 174 D N -1.662 118.494 120.400 -0.407 0.000 2.289 174 D HA -0.020 4.621 4.640 0.002 0.000 0.207 174 D C 1.534 177.316 176.300 -0.863 0.000 0.966 174 D CA 0.933 54.560 54.000 -0.621 0.000 0.868 174 D CB -0.013 40.343 40.800 -0.739 0.000 0.943 174 D HN 0.539 nan 8.370 nan 0.000 0.514 175 H N -1.254 117.476 119.070 -0.566 0.000 3.078 175 H HA 0.245 4.802 4.556 0.002 0.000 0.263 175 H C 0.881 175.874 175.328 -0.559 0.000 1.177 175 H CA -0.051 55.624 56.048 -0.621 0.000 1.128 175 H CB 1.624 30.815 29.762 -0.952 0.000 1.623 175 H HN 0.035 nan 8.280 nan 0.000 0.592 176 L N -0.352 120.649 121.223 -0.370 0.000 2.376 176 L HA 0.250 4.592 4.340 0.002 0.000 0.153 176 L C -0.482 176.419 176.870 0.051 0.000 1.272 176 L CA 0.335 55.092 54.840 -0.139 0.000 1.005 176 L CB -0.084 41.851 42.059 -0.207 0.000 2.027 176 L HN -0.077 nan 8.230 nan 0.000 0.495 177 L N 2.533 123.745 121.223 -0.019 0.000 2.559 177 L HA 0.065 4.407 4.340 0.002 0.000 0.274 177 L C -0.092 176.782 176.870 0.007 0.000 1.205 177 L CA 0.595 55.469 54.840 0.056 0.000 0.907 177 L CB -0.103 41.960 42.059 0.007 0.000 1.153 177 L HN 0.346 nan 8.230 nan 0.000 0.490 178 E N 2.088 122.310 120.200 0.038 0.000 2.264 178 E HA 0.231 4.583 4.350 0.002 0.000 0.260 178 E C -0.610 175.977 176.600 -0.023 0.000 0.961 178 E CA -0.972 55.384 56.400 -0.073 0.000 0.834 178 E CB 1.447 30.997 29.700 -0.249 0.000 1.230 178 E HN 0.476 nan 8.360 nan 0.000 0.412 179 E N -0.030 120.141 120.200 -0.049 0.000 2.652 179 E HA -0.059 4.292 4.350 0.002 0.000 0.255 179 E C 0.474 177.069 176.600 -0.007 0.000 0.952 179 E CA 1.208 57.587 56.400 -0.034 0.000 0.947 179 E CB -0.020 29.656 29.700 -0.041 0.000 0.912 179 E HN 0.742 nan 8.360 nan 0.000 0.489 180 G N 3.983 112.771 108.800 -0.019 0.000 2.234 180 G HA2 -0.213 3.748 3.960 0.002 0.000 0.235 180 G HA3 -0.213 3.748 3.960 0.002 0.000 0.235 180 G C -0.184 174.733 174.900 0.027 0.000 0.997 180 G CA 0.090 45.190 45.100 -0.000 0.000 0.623 180 G HN 0.633 nan 8.290 nan 0.000 0.514 181 D N 0.092 120.529 120.400 0.061 0.000 2.339 181 D HA 0.537 5.179 4.640 0.002 0.000 0.245 181 D C 0.089 176.445 176.300 0.093 0.000 1.115 181 D CA 0.167 54.264 54.000 0.162 0.000 0.917 181 D CB 0.428 41.345 40.800 0.195 0.000 1.192 181 D HN 0.211 nan 8.370 nan 0.000 0.428 182 Y N 0.369 120.757 120.300 0.145 0.000 2.334 182 Y HA 0.388 4.940 4.550 0.002 0.000 0.328 182 Y C -0.261 175.785 175.900 0.243 0.000 1.130 182 Y CA -0.743 57.460 58.100 0.171 0.000 1.163 182 Y CB 1.064 39.608 38.460 0.140 0.000 1.207 182 Y HN 0.217 nan 8.280 nan 0.000 0.471 183 F N 4.575 124.654 119.950 0.215 0.000 2.500 183 F HA 0.598 5.126 4.527 0.002 0.000 0.349 183 F C -1.311 174.614 175.800 0.209 0.000 1.127 183 F CA -0.780 57.343 58.000 0.205 0.000 0.998 183 F CB 0.354 39.381 39.000 0.044 0.000 1.237 183 F HN 0.301 nan 8.300 nan 0.000 0.439 184 I N 6.719 127.345 120.570 0.094 0.000 2.412 184 I HA 0.391 4.562 4.170 0.002 0.000 0.296 184 I C -0.576 175.595 176.117 0.089 0.000 0.987 184 I CA -0.544 60.852 61.300 0.160 0.000 1.180 184 I CB 1.841 39.954 38.000 0.189 0.000 1.340 184 I HN 0.418 nan 8.210 nan 0.000 0.455 185 I N 5.964 126.639 120.570 0.176 0.000 2.354 185 I HA 0.278 4.450 4.170 0.002 0.000 0.286 185 I C -0.184 176.010 176.117 0.129 0.000 1.007 185 I CA -0.495 60.909 61.300 0.173 0.000 1.167 185 I CB 0.864 39.004 38.000 0.233 0.000 1.320 185 I HN 0.535 nan 8.210 nan 0.000 0.458 186 E N 6.215 126.503 120.200 0.146 0.000 2.249 186 E HA 0.172 4.524 4.350 0.002 0.000 0.280 186 E C -0.308 176.317 176.600 0.041 0.000 1.016 186 E CA -0.361 56.118 56.400 0.131 0.000 0.830 186 E CB 1.188 31.001 29.700 0.189 0.000 1.081 186 E HN 0.608 nan 8.360 nan 0.000 0.395 187 D N 0.919 121.306 120.400 -0.022 0.000 2.884 187 D HA -0.239 4.403 4.640 0.002 0.000 0.186 187 D C 1.299 177.491 176.300 -0.179 0.000 1.520 187 D CA 1.580 55.521 54.000 -0.097 0.000 1.997 187 D CB -0.585 40.104 40.800 -0.185 0.000 1.362 187 D HN 0.418 nan 8.370 nan 0.000 0.474 188 M N 0.355 119.704 119.600 -0.419 0.000 2.388 188 M HA 0.168 4.649 4.480 0.002 0.000 0.265 188 M C 2.571 178.459 176.300 -0.686 0.000 1.088 188 M CA 0.590 55.396 55.300 -0.823 0.000 1.134 188 M CB -0.472 31.167 32.600 -1.602 0.000 1.384 188 M HN 0.209 nan 8.290 nan 0.000 0.447 189 I N 0.664 121.033 120.570 -0.336 0.000 2.179 189 I HA -0.229 3.942 4.170 0.002 0.000 0.242 189 I C -0.568 175.375 176.117 -0.290 0.000 1.088 189 I CA 1.610 62.807 61.300 -0.171 0.000 1.357 189 I CB -1.598 36.447 38.000 0.076 0.000 1.051 189 I HN 0.148 nan 8.210 nan 0.000 0.409 190 P HA -0.170 nan 4.420 nan 0.000 0.216 190 P C 1.195 178.220 177.300 -0.458 0.000 1.150 190 P CA 1.603 64.507 63.100 -0.328 0.000 0.837 190 P CB -0.094 31.366 31.700 -0.400 0.000 0.786 191 Y N -2.291 117.812 120.300 -0.329 0.000 2.184 191 Y HA -0.152 4.399 4.550 0.002 0.000 0.290 191 Y C 2.421 178.147 175.900 -0.289 0.000 1.129 191 Y CA 0.894 58.737 58.100 -0.428 0.000 1.144 191 Y CB -1.182 37.118 38.460 -0.266 0.000 0.995 191 Y HN -0.056 nan 8.280 nan 0.000 0.513 192 W N -0.978 120.314 121.300 -0.014 0.000 2.338 192 W HA -0.271 4.391 4.660 0.003 0.000 0.304 192 W C 2.427 178.847 176.519 -0.164 0.000 1.212 192 W CA 1.080 58.433 57.345 0.013 0.000 1.264 192 W CB -1.571 27.948 29.460 0.100 0.000 1.142 192 W HN 0.191 nan 8.180 nan 0.000 0.512 193 Y N 1.187 121.266 120.300 -0.367 0.000 2.314 193 Y HA -0.158 4.393 4.550 0.002 0.000 0.293 193 Y C 2.767 178.566 175.900 -0.168 0.000 1.129 193 Y CA 2.231 60.120 58.100 -0.351 0.000 1.201 193 Y CB -0.646 37.541 38.460 -0.454 0.000 0.999 193 Y HN -0.076 nan 8.280 nan 0.000 0.541 194 R N -1.154 119.140 120.500 -0.344 0.000 2.066 194 R HA -0.170 4.172 4.340 0.002 0.000 0.232 194 R C 1.875 178.026 176.300 -0.248 0.000 1.131 194 R CA 1.991 57.841 56.100 -0.417 0.000 0.955 194 R CB -0.648 29.326 30.300 -0.543 0.000 0.851 194 R HN 0.481 nan 8.270 nan 0.000 0.432 195 Y N -1.171 119.128 120.300 -0.002 0.000 2.314 195 Y HA 0.186 4.738 4.550 0.002 0.000 0.294 195 Y C 1.044 176.951 175.900 0.011 0.000 1.119 195 Y CA 0.032 58.154 58.100 0.036 0.000 1.179 195 Y CB 0.434 38.968 38.460 0.123 0.000 1.025 195 Y HN 0.163 nan 8.280 nan 0.000 0.541 196 A N 0.217 123.134 122.820 0.162 0.000 3.355 196 A HA 0.308 4.629 4.320 0.002 0.000 0.290 196 A C -2.088 175.535 177.584 0.064 0.000 0.973 196 A CA -1.080 51.012 52.037 0.092 0.000 0.933 196 A CB -0.113 18.950 19.000 0.105 0.000 1.138 196 A HN -0.016 nan 8.150 nan 0.000 0.490 197 P HA -0.230 nan 4.420 nan 0.000 0.216 197 P C 1.403 178.778 177.300 0.125 0.000 1.153 197 P CA 1.253 64.289 63.100 -0.108 0.000 0.848 197 P CB 0.339 31.798 31.700 -0.401 0.000 0.787 198 Q N -0.969 118.856 119.800 0.041 0.000 2.083 198 Q HA -0.091 4.250 4.340 0.002 0.000 0.198 198 Q C 2.155 178.147 176.000 -0.014 0.000 0.969 198 Q CA 0.757 56.581 55.803 0.036 0.000 0.838 198 Q CB -0.487 28.251 28.738 0.000 0.000 0.900 198 Q HN 0.018 nan 8.270 nan 0.000 0.436 199 L N 0.028 121.196 121.223 -0.091 0.000 2.109 199 L HA -0.054 4.288 4.340 0.002 0.000 0.207 199 L C 1.896 178.509 176.870 -0.428 0.000 1.086 199 L CA 1.447 56.088 54.840 -0.332 0.000 0.760 199 L CB -0.718 41.084 42.059 -0.429 0.000 0.910 199 L HN 0.316 nan 8.230 nan 0.000 0.437 200 F N -0.430 119.388 119.950 -0.221 0.000 2.051 200 F HA -0.233 4.296 4.527 0.003 0.000 0.296 200 F C 2.620 178.457 175.800 0.061 0.000 1.122 200 F CA 1.916 59.896 58.000 -0.033 0.000 1.201 200 F CB -0.653 38.503 39.000 0.260 0.000 0.978 200 F HN 0.028 nan 8.300 nan 0.000 0.472 201 S N 0.095 115.911 115.700 0.193 0.000 2.372 201 S HA -0.282 4.190 4.470 0.002 0.000 0.227 201 S C 2.071 176.651 174.600 -0.032 0.000 1.044 201 S CA 1.641 59.895 58.200 0.090 0.000 1.050 201 S CB -0.554 62.766 63.200 0.200 0.000 0.901 201 S HN 0.499 nan 8.310 nan 0.000 0.447 202 E N 0.136 120.311 120.200 -0.042 0.000 2.072 202 E HA -0.105 4.247 4.350 0.002 0.000 0.191 202 E C 1.801 178.419 176.600 0.031 0.000 0.985 202 E CA 1.103 57.495 56.400 -0.013 0.000 0.801 202 E CB -0.274 29.416 29.700 -0.017 0.000 0.750 202 E HN 0.732 nan 8.360 nan 0.000 0.452 203 Y N 0.411 120.527 120.300 -0.307 0.000 2.128 203 Y HA -0.216 4.335 4.550 0.003 0.000 0.284 203 Y C 2.684 178.426 175.900 -0.263 0.000 1.154 203 Y CA 0.472 58.280 58.100 -0.486 0.000 1.149 203 Y CB -0.028 37.760 38.460 -1.120 0.000 0.976 203 Y HN 0.090 nan 8.280 nan 0.000 0.505 204 L N -0.572 120.560 121.223 -0.153 0.000 2.056 204 L HA -0.147 4.194 4.340 0.002 0.000 0.207 204 L C 2.462 179.412 176.870 0.134 0.000 1.078 204 L CA 1.628 56.484 54.840 0.026 0.000 0.749 204 L CB -0.961 40.951 42.059 -0.245 0.000 0.901 204 L HN 0.304 nan 8.230 nan 0.000 0.433 205 G N -1.076 107.750 108.800 0.043 0.000 2.498 205 G HA2 -0.208 3.754 3.960 0.002 0.000 0.219 205 G HA3 -0.208 3.754 3.960 0.002 0.000 0.219 205 G C 1.588 176.512 174.900 0.040 0.000 1.119 205 G CA 0.666 45.794 45.100 0.046 0.000 0.766 205 G HN 0.528 nan 8.290 nan 0.000 0.552 206 A N 0.212 123.052 122.820 0.033 0.000 2.067 206 A HA 0.237 4.558 4.320 0.002 0.000 0.219 206 A C 1.525 178.973 177.584 -0.228 0.000 1.158 206 A CA 0.528 52.491 52.037 -0.122 0.000 0.661 206 A CB -0.337 18.524 19.000 -0.232 0.000 0.801 206 A HN 0.305 nan 8.150 nan 0.000 0.452 207 F N 0.026 119.942 119.950 -0.056 0.000 2.645 207 F HA 0.152 4.680 4.527 0.002 0.000 0.300 207 F C 1.876 177.644 175.800 -0.053 0.000 1.115 207 F CA 0.173 58.137 58.000 -0.060 0.000 1.355 207 F CB 0.020 38.988 39.000 -0.053 0.000 1.026 207 F HN 0.309 nan 8.300 nan 0.000 0.536 208 R N -0.505 120.038 120.500 0.072 0.000 2.193 208 R HA -0.087 4.255 4.340 0.002 0.000 0.229 208 R C 0.804 177.112 176.300 0.014 0.000 1.110 208 R CA 1.712 57.837 56.100 0.042 0.000 0.988 208 R CB -0.666 29.644 30.300 0.017 0.000 0.871 208 R HN 0.085 nan 8.270 nan 0.000 0.458 209 D N 0.155 120.550 120.400 -0.009 0.000 2.354 209 D HA 0.002 4.643 4.640 0.002 0.000 0.209 209 D C 1.568 177.854 176.300 -0.024 0.000 1.015 209 D CA 1.104 55.089 54.000 -0.026 0.000 0.867 209 D CB 0.873 41.643 40.800 -0.050 0.000 0.933 209 D HN 0.342 nan 8.370 nan 0.000 0.520 210 V N -2.721 117.192 119.914 -0.000 0.000 3.359 210 V HA 0.331 4.452 4.120 0.002 0.000 0.245 210 V C 0.625 176.725 176.094 0.011 0.000 1.247 210 V CA -0.038 62.262 62.300 -0.001 0.000 1.145 210 V CB 0.520 32.347 31.823 0.006 0.000 0.906 210 V HN -0.141 nan 8.190 nan 0.000 0.464 211 L N 1.842 123.091 121.223 0.044 0.000 2.370 211 L HA 0.812 5.154 4.340 0.002 0.000 0.266 211 L C -0.375 176.504 176.870 0.015 0.000 1.002 211 L CA -0.203 54.646 54.840 0.015 0.000 0.818 211 L CB 2.328 44.387 42.059 0.001 0.000 1.325 211 L HN 0.399 nan 8.230 nan 0.000 0.418 212 S N 1.959 117.655 115.700 -0.008 0.000 2.570 212 S HA 0.659 5.131 4.470 0.002 0.000 0.286 212 S C -0.722 173.884 174.600 0.009 0.000 1.099 212 S CA -0.856 57.344 58.200 -0.000 0.000 0.913 212 S CB 1.975 65.165 63.200 -0.017 0.000 1.085 212 S HN 0.646 nan 8.310 nan 0.000 0.480 213 M N 2.870 122.487 119.600 0.029 0.000 2.120 213 M HA 0.317 4.799 4.480 0.002 0.000 0.354 213 M C -0.802 175.527 176.300 0.048 0.000 1.287 213 M CA -0.126 55.206 55.300 0.054 0.000 1.103 213 M CB 0.438 33.075 32.600 0.061 0.000 1.623 213 M HN 0.781 nan 8.290 nan 0.000 0.471 214 D N 5.558 126.008 120.400 0.083 0.000 2.352 214 D HA 0.104 4.746 4.640 0.002 0.000 0.245 214 D C 0.672 177.014 176.300 0.071 0.000 1.224 214 D CA -0.104 53.949 54.000 0.089 0.000 0.879 214 D CB 0.731 41.665 40.800 0.223 0.000 1.057 214 D HN 0.676 nan 8.370 nan 0.000 0.491 215 M N 3.545 123.152 119.600 0.012 0.000 2.476 215 M HA -0.065 4.416 4.480 0.002 0.000 0.262 215 M C 1.624 177.896 176.300 -0.047 0.000 1.079 215 M CA 0.260 55.558 55.300 -0.003 0.000 1.104 215 M CB -0.581 32.014 32.600 -0.009 0.000 1.409 215 M HN 0.406 nan 8.290 nan 0.000 0.467 216 L N -0.675 120.462 121.223 -0.144 0.000 2.141 216 L HA -0.148 4.194 4.340 0.002 0.000 0.209 216 L C 1.477 178.187 176.870 -0.268 0.000 1.094 216 L CA 1.994 56.655 54.840 -0.299 0.000 0.763 216 L CB -0.455 41.256 42.059 -0.579 0.000 0.908 216 L HN 0.289 nan 8.230 nan 0.000 0.437 217 Y N -2.924 117.405 120.300 0.048 0.000 2.430 217 Y HA 0.335 4.887 4.550 0.002 0.000 0.254 217 Y C 2.170 178.074 175.900 0.008 0.000 1.088 217 Y CA 0.091 58.202 58.100 0.018 0.000 1.267 217 Y CB -0.092 38.375 38.460 0.011 0.000 1.204 217 Y HN 0.099 nan 8.280 nan 0.000 0.515 218 A N 0.440 123.355 122.820 0.159 0.000 2.066 218 A HA -0.101 4.221 4.320 0.002 0.000 0.218 218 A C 1.354 178.976 177.584 0.063 0.000 1.157 218 A CA 1.343 53.445 52.037 0.107 0.000 0.670 218 A CB -0.277 18.779 19.000 0.093 0.000 0.804 218 A HN 0.314 nan 8.150 nan 0.000 0.453 219 N N -0.777 117.954 118.700 0.053 0.000 2.214 219 N HA 0.286 5.027 4.740 0.002 0.000 0.214 219 N C 0.910 176.437 175.510 0.029 0.000 1.132 219 N CA 0.765 53.832 53.050 0.029 0.000 0.856 219 N CB 0.665 39.163 38.487 0.018 0.000 1.020 219 N HN 0.412 nan 8.380 nan 0.000 0.509 220 A N -0.010 122.837 122.820 0.045 0.000 2.267 220 A HA 0.213 4.534 4.320 0.002 0.000 0.213 220 A C 0.851 178.443 177.584 0.013 0.000 1.192 220 A CA 0.149 52.211 52.037 0.041 0.000 0.851 220 A CB 0.238 19.290 19.000 0.086 0.000 0.881 220 A HN 0.174 nan 8.150 nan 0.000 0.494 221 S N -1.346 114.354 115.700 0.000 0.000 2.541 221 S HA 0.407 4.879 4.470 0.002 0.000 0.271 221 S C 0.674 175.266 174.600 -0.012 0.000 1.133 221 S CA 0.407 58.597 58.200 -0.017 0.000 0.876 221 S CB 1.299 64.474 63.200 -0.043 0.000 1.105 221 S HN 0.684 nan 8.310 nan 0.000 0.470 222 S N 2.101 117.795 115.700 -0.010 0.000 2.414 222 S HA -0.086 4.386 4.470 0.002 0.000 0.227 222 S C 1.497 176.097 174.600 0.001 0.000 1.022 222 S CA 0.745 58.942 58.200 -0.006 0.000 0.958 222 S CB -0.688 62.512 63.200 0.000 0.000 0.797 222 S HN 0.784 nan 8.310 nan 0.000 0.493 223 Q N 0.661 120.466 119.800 0.008 0.000 2.172 223 Q HA 0.198 4.540 4.340 0.002 0.000 0.200 223 Q C 1.880 177.894 176.000 0.024 0.000 0.964 223 Q CA 1.108 56.926 55.803 0.024 0.000 0.855 223 Q CB -0.290 28.469 28.738 0.034 0.000 0.918 223 Q HN 0.547 nan 8.270 nan 0.000 0.444 224 L N 0.604 121.831 121.223 0.007 0.000 2.567 224 L HA 0.092 4.433 4.340 0.002 0.000 0.225 224 L C 0.379 177.262 176.870 0.022 0.000 1.119 224 L CA -0.437 54.408 54.840 0.008 0.000 0.871 224 L CB -0.106 41.917 42.059 -0.059 0.000 1.036 224 L HN 0.144 nan 8.230 nan 0.000 0.459 225 D N 1.902 122.307 120.400 0.009 0.000 2.662 225 D HA -0.136 4.506 4.640 0.002 0.000 0.233 225 D C 0.709 177.020 176.300 0.018 0.000 1.129 225 D CA 0.591 54.594 54.000 0.005 0.000 0.851 225 D CB 0.380 41.167 40.800 -0.021 0.000 1.152 225 D HN 0.098 nan 8.370 nan 0.000 0.507 226 R N 1.857 122.378 120.500 0.035 0.000 3.741 226 R HA -0.192 4.149 4.340 0.002 0.000 0.292 226 R C 0.926 177.294 176.300 0.113 0.000 1.176 226 R CA 0.902 57.037 56.100 0.058 0.000 0.794 226 R CB -1.869 28.445 30.300 0.022 0.000 1.213 226 R HN 0.545 nan 8.270 nan 0.000 0.494 227 G N -0.738 108.131 108.800 0.116 0.000 3.651 227 G HA2 0.287 4.248 3.960 0.002 0.000 0.267 227 G HA3 0.287 4.248 3.960 0.002 0.000 0.267 227 G C -0.023 174.981 174.900 0.173 0.000 1.009 227 G CA -0.105 45.088 45.100 0.154 0.000 0.866 227 G HN 0.068 nan 8.290 nan 0.000 0.488 228 V N 2.967 122.983 119.914 0.170 0.000 2.372 228 V HA 0.461 4.583 4.120 0.002 0.000 0.261 228 V C -0.041 176.195 176.094 0.237 0.000 1.055 228 V CA -0.176 62.266 62.300 0.236 0.000 0.930 228 V CB 0.512 32.489 31.823 0.257 0.000 1.031 228 V HN 0.160 nan 8.190 nan 0.000 0.479 229 L N 6.247 127.614 121.223 0.240 0.000 2.333 229 L HA 0.846 5.187 4.340 0.002 0.000 0.269 229 L C 0.008 176.880 176.870 0.004 0.000 1.010 229 L CA -0.942 53.974 54.840 0.126 0.000 0.818 229 L CB 2.043 44.176 42.059 0.124 0.000 1.306 229 L HN 0.698 nan 8.230 nan 0.000 0.430 230 R N 0.320 120.729 120.500 -0.151 0.000 2.774 230 R HA 0.654 4.996 4.340 0.002 0.000 0.272 230 R C -1.141 175.071 176.300 -0.147 0.000 1.000 230 R CA -1.163 54.757 56.100 -0.300 0.000 0.906 230 R CB 1.796 31.625 30.300 -0.785 0.000 1.227 230 R HN 0.399 nan 8.270 nan 0.000 0.468 231 R N 1.288 121.723 120.500 -0.107 0.000 2.442 231 R HA 0.214 4.556 4.340 0.002 0.000 0.291 231 R C -0.133 176.126 176.300 -0.067 0.000 1.069 231 R CA -0.135 55.928 56.100 -0.062 0.000 1.022 231 R CB 0.768 31.047 30.300 -0.036 0.000 0.976 231 R HN 0.592 nan 8.270 nan 0.000 0.443 232 V N 1.398 121.281 119.914 -0.052 0.000 3.093 232 V HA 0.806 4.927 4.120 0.002 0.000 0.320 232 V C 0.098 176.166 176.094 -0.043 0.000 1.093 232 V CA -1.079 61.194 62.300 -0.046 0.000 1.016 232 V CB 1.466 33.267 31.823 -0.037 0.000 1.096 232 V HN 0.918 nan 8.190 nan 0.000 0.452 233 A N 1.424 124.220 122.820 -0.039 0.000 2.540 233 A HA 0.612 4.933 4.320 0.002 0.000 0.239 233 A C 0.860 178.417 177.584 -0.044 0.000 1.061 233 A CA 0.421 52.434 52.037 -0.041 0.000 0.758 233 A CB -0.624 18.355 19.000 -0.034 0.000 0.991 233 A HN 2.108 nan 8.150 nan 0.000 0.502 234 A N 0.000 122.790 122.820 -0.050 0.000 2.254 234 A HA 0.000 4.321 4.320 0.002 0.000 0.244 234 A CA 0.000 52.004 52.037 -0.055 0.000 0.836 234 A CB 0.000 18.962 19.000 -0.064 0.000 0.831 234 A HN 0.000 nan 8.150 nan 0.000 0.486