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 2z3u_1_A DATA FIRST_RESID 4 DATA SEQUENCE ATLPRFDLMG WDKKDIADPY PVYRRYREAA PVHRTASGPG KPDTYYVFTY DATA SEQUENCE DDVVRVLSNR RLGRNARVAS GDTDTAPVPI PTEHRALRTV VENWLVFLDP DATA SEQUENCE PHHTELRSLL TTEFSPSIVT GLRPRIAELA SALLDRLRAQ RRPDLVEGFA DATA SEQUENCE APLPILVISA LLGIPEEDHT WLRANAVALQ EASTTRARDG RGYARAEAAS DATA SEQUENCE QEFTRYFRRE VDRRGGDDRD DLLTLLVRAR DTGSPLSVDG IVGTCVHLLT DATA SEQUENCE AGHETTTNFL AKAVLTLRAH RDVLDELRTT PESTPAAVEE LMRYDPPVQA DATA SEQUENCE VTRWAYEDIR LGDHDIPRGS RVVALLGSAN RDPARFPDPD VLDVHRAAER DATA SEQUENCE QVGFGLGIHY CLGATLARAE AEIGLRALLD GIPALGRGAH EVEYADDMVF DATA SEQUENCE HGPTRLLLDL P VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 4 A HA 0.000 nan 4.320 nan 0.000 0.244 4 A C 0.000 177.585 177.584 0.002 0.000 1.274 4 A CA 0.000 52.049 52.037 0.019 0.000 0.836 4 A CB 0.000 19.023 19.000 0.038 0.000 0.831 5 T N -0.740 113.810 114.554 -0.007 0.000 3.321 5 T HA 0.319 4.724 4.350 0.090 0.000 0.251 5 T C -0.172 174.495 174.700 -0.055 0.000 0.999 5 T CA 0.342 62.421 62.100 -0.036 0.000 1.186 5 T CB -0.226 68.611 68.868 -0.052 0.000 1.163 5 T HN 0.410 nan 8.240 nan 0.000 0.399 6 L N 4.165 125.338 121.223 -0.083 0.000 2.380 6 L HA 0.399 4.793 4.340 0.090 0.000 0.273 6 L C -1.475 175.401 176.870 0.010 0.000 1.138 6 L CA -1.899 52.862 54.840 -0.132 0.000 0.832 6 L CB 0.274 42.102 42.059 -0.385 0.000 1.124 6 L HN 0.245 nan 8.230 nan 0.000 0.454 7 P HA 0.288 nan 4.420 nan 0.000 0.297 7 P C -1.006 176.410 177.300 0.193 0.000 1.303 7 P CA -0.811 62.348 63.100 0.098 0.000 0.753 7 P CB 0.422 32.157 31.700 0.058 0.000 1.281 8 R N -0.779 119.806 120.500 0.142 0.000 2.643 8 R HA 0.361 4.755 4.340 0.090 0.000 0.270 8 R C -0.646 175.727 176.300 0.121 0.000 1.061 8 R CA -0.048 56.141 56.100 0.149 0.000 1.107 8 R CB -0.571 29.785 30.300 0.095 0.000 0.999 8 R HN 0.373 nan 8.270 nan 0.000 0.460 9 F N 2.373 122.258 119.950 -0.107 0.000 2.469 9 F HA 0.516 5.097 4.527 0.089 0.000 0.332 9 F C -1.259 174.294 175.800 -0.412 0.000 1.103 9 F CA -0.757 57.032 58.000 -0.352 0.000 0.979 9 F CB 1.482 40.015 39.000 -0.778 0.000 1.137 9 F HN 0.969 nan 8.300 nan 0.000 0.463 10 D N 3.681 123.502 120.400 -0.965 0.000 2.639 10 D HA 0.241 4.935 4.640 0.090 0.000 0.271 10 D C -0.972 174.903 176.300 -0.709 0.000 1.254 10 D CA -0.611 52.960 54.000 -0.715 0.000 0.810 10 D CB 0.843 41.539 40.800 -0.173 0.000 1.351 10 D HN 0.289 nan 8.370 nan 0.000 0.427 11 L N -0.375 120.569 121.223 -0.464 0.000 2.611 11 L HA 0.419 4.813 4.340 0.090 0.000 0.229 11 L C 0.178 176.683 176.870 -0.609 0.000 1.137 11 L CA 0.284 54.731 54.840 -0.655 0.000 0.901 11 L CB -1.268 40.551 42.059 -0.400 0.000 1.098 11 L HN 0.542 nan 8.230 nan 0.000 0.456 12 M N -1.662 117.806 119.600 -0.220 0.000 2.423 12 M HA 0.502 5.036 4.480 0.090 0.000 0.335 12 M C 1.264 177.645 176.300 0.135 0.000 1.177 12 M CA 0.279 55.537 55.300 -0.070 0.000 1.038 12 M CB 1.582 34.163 32.600 -0.031 0.000 1.641 12 M HN 0.168 nan 8.290 nan 0.000 0.455 13 G N 1.141 109.992 108.800 0.085 0.000 2.166 13 G HA2 -0.226 3.788 3.960 0.090 0.000 0.260 13 G HA3 -0.226 3.788 3.960 0.090 0.000 0.260 13 G C -0.686 174.337 174.900 0.206 0.000 0.986 13 G CA -0.167 45.001 45.100 0.113 0.000 0.683 13 G HN 0.657 nan 8.290 nan 0.000 0.527 14 W N 0.740 121.977 121.300 -0.106 0.000 2.170 14 W HA 0.487 5.201 4.660 0.090 0.000 0.342 14 W C 0.783 177.251 176.519 -0.084 0.000 1.294 14 W CA -0.406 56.873 57.345 -0.111 0.000 1.246 14 W CB 0.144 29.527 29.460 -0.128 0.000 1.156 14 W HN 0.265 nan 8.180 nan 0.000 0.572 15 D N 1.147 121.600 120.400 0.088 0.000 2.344 15 D HA 0.037 4.731 4.640 0.090 0.000 0.244 15 D C 1.163 177.490 176.300 0.044 0.000 1.134 15 D CA 0.011 54.029 54.000 0.030 0.000 0.930 15 D CB 1.032 41.813 40.800 -0.032 0.000 1.175 15 D HN 0.209 nan 8.370 nan 0.000 0.437 16 K N 0.967 121.379 120.400 0.020 0.000 2.152 16 K HA -0.157 4.217 4.320 0.090 0.000 0.206 16 K C 1.571 178.141 176.600 -0.050 0.000 1.048 16 K CA 1.303 57.589 56.287 -0.000 0.000 0.933 16 K CB 0.069 32.579 32.500 0.016 0.000 0.721 16 K HN 0.232 nan 8.250 nan 0.000 0.447 17 K N 0.703 121.078 120.400 -0.041 0.000 2.032 17 K HA -0.120 4.254 4.320 0.090 0.000 0.209 17 K C 1.476 178.029 176.600 -0.077 0.000 1.048 17 K CA 1.796 58.047 56.287 -0.060 0.000 0.927 17 K CB -0.155 32.312 32.500 -0.054 0.000 0.712 17 K HN 0.166 nan 8.250 nan 0.000 0.441 18 D N -0.110 120.254 120.400 -0.059 0.000 2.234 18 D HA -0.031 4.663 4.640 0.090 0.000 0.205 18 D C 1.863 178.221 176.300 0.097 0.000 0.962 18 D CA 0.718 54.692 54.000 -0.043 0.000 0.855 18 D CB 0.015 40.706 40.800 -0.182 0.000 0.951 18 D HN 0.169 nan 8.370 nan 0.000 0.500 19 I N 1.250 121.882 120.570 0.104 0.000 2.226 19 I HA -0.241 3.984 4.170 0.090 0.000 0.245 19 I C 2.456 178.496 176.117 -0.129 0.000 1.100 19 I CA 0.943 62.287 61.300 0.073 0.000 1.374 19 I CB -0.136 37.867 38.000 0.004 0.000 1.057 19 I HN -0.077 nan 8.210 nan 0.000 0.413 20 A N -0.484 122.064 122.820 -0.453 0.000 1.930 20 A HA -0.209 4.165 4.320 0.090 0.000 0.217 20 A C 1.057 178.502 177.584 -0.231 0.000 1.175 20 A CA 1.703 53.264 52.037 -0.794 0.000 0.627 20 A CB -0.255 18.370 19.000 -0.625 0.000 0.815 20 A HN 0.424 nan 8.150 nan 0.000 0.443 21 D N -1.939 118.389 120.400 -0.121 0.000 2.400 21 D HA 0.275 4.969 4.640 0.090 0.000 0.272 21 D C -2.009 174.206 176.300 -0.143 0.000 1.220 21 D CA -1.571 52.407 54.000 -0.037 0.000 0.897 21 D CB 1.282 42.096 40.800 0.025 0.000 1.134 21 D HN 0.086 nan 8.370 nan 0.000 0.507 22 P HA -0.089 nan 4.420 nan 0.000 0.235 22 P C 0.932 177.763 177.300 -0.781 0.000 1.177 22 P CA 0.308 63.098 63.100 -0.517 0.000 0.785 22 P CB 0.193 31.509 31.700 -0.640 0.000 0.885 23 Y N 1.227 121.397 120.300 -0.218 0.000 2.193 23 Y HA -0.108 4.495 4.550 0.089 0.000 0.285 23 Y C -0.196 175.708 175.900 0.007 0.000 1.166 23 Y CA 1.685 59.760 58.100 -0.043 0.000 1.181 23 Y CB -2.694 35.771 38.460 0.009 0.000 0.976 23 Y HN 0.191 nan 8.280 nan 0.000 0.520 24 P HA -0.131 nan 4.420 nan 0.000 0.220 24 P C 1.703 179.028 177.300 0.042 0.000 1.148 24 P CA 1.377 64.510 63.100 0.056 0.000 0.803 24 P CB 0.058 31.763 31.700 0.008 0.000 0.782 25 V N -1.598 118.301 119.914 -0.026 0.000 2.323 25 V HA -0.239 3.936 4.120 0.090 0.000 0.244 25 V C 2.079 178.391 176.094 0.363 0.000 1.041 25 V CA 1.711 64.056 62.300 0.075 0.000 1.025 25 V CB -1.524 30.244 31.823 -0.092 0.000 0.656 25 V HN 0.020 nan 8.190 nan 0.000 0.451 26 Y N 0.641 121.163 120.300 0.371 0.000 2.224 26 Y HA -0.166 4.437 4.550 0.089 0.000 0.289 26 Y C 2.638 178.733 175.900 0.325 0.000 1.146 26 Y CA 1.444 59.822 58.100 0.464 0.000 1.182 26 Y CB -0.817 37.869 38.460 0.378 0.000 0.983 26 Y HN 0.146 nan 8.280 nan 0.000 0.524 27 R N 0.659 121.389 120.500 0.382 0.000 2.070 27 R HA -0.148 4.247 4.340 0.090 0.000 0.233 27 R C 2.346 178.716 176.300 0.115 0.000 1.137 27 R CA 1.493 57.732 56.100 0.231 0.000 0.945 27 R CB -0.176 30.230 30.300 0.176 0.000 0.845 27 R HN 0.222 nan 8.270 nan 0.000 0.430 28 R N -0.915 119.620 120.500 0.059 0.000 2.117 28 R HA -0.202 4.192 4.340 0.090 0.000 0.243 28 R C 2.135 178.301 176.300 -0.224 0.000 1.143 28 R CA 2.000 58.045 56.100 -0.092 0.000 0.968 28 R CB -0.348 29.856 30.300 -0.161 0.000 0.863 28 R HN 0.365 nan 8.270 nan 0.000 0.444 29 Y N -0.297 119.872 120.300 -0.219 0.000 2.286 29 Y HA -0.048 4.556 4.550 0.090 0.000 0.293 29 Y C 2.558 178.227 175.900 -0.385 0.000 1.124 29 Y CA 1.014 58.785 58.100 -0.548 0.000 1.178 29 Y CB -0.095 37.593 38.460 -1.286 0.000 1.010 29 Y HN -0.057 nan 8.280 nan 0.000 0.536 30 R N 0.750 121.201 120.500 -0.082 0.000 2.120 30 R HA -0.162 4.232 4.340 0.090 0.000 0.234 30 R C 1.617 177.963 176.300 0.077 0.000 1.123 30 R CA 1.669 57.820 56.100 0.085 0.000 0.975 30 R CB -0.090 30.352 30.300 0.237 0.000 0.866 30 R HN 0.417 nan 8.270 nan 0.000 0.446 31 E N -0.687 119.540 120.200 0.045 0.000 2.347 31 E HA -0.099 4.305 4.350 0.090 0.000 0.196 31 E C 1.568 178.177 176.600 0.015 0.000 1.008 31 E CA 0.787 57.206 56.400 0.031 0.000 0.852 31 E CB 0.188 29.898 29.700 0.016 0.000 0.783 31 E HN 0.418 nan 8.360 nan 0.000 0.505 32 A N 0.904 123.733 122.820 0.014 0.000 1.943 32 A HA 0.464 4.839 4.320 0.090 0.000 0.213 32 A C 0.958 178.564 177.584 0.036 0.000 1.181 32 A CA 0.859 52.913 52.037 0.028 0.000 0.653 32 A CB 0.466 19.484 19.000 0.030 0.000 0.833 32 A HN 0.183 nan 8.150 nan 0.000 0.451 33 A N -1.732 121.113 122.820 0.043 0.000 2.594 33 A HA 0.591 4.965 4.320 0.090 0.000 0.296 33 A C -2.544 175.015 177.584 -0.041 0.000 1.056 33 A CA -0.438 51.549 52.037 -0.082 0.000 0.693 33 A CB 0.368 19.192 19.000 -0.294 0.000 1.278 33 A HN -0.069 nan 8.150 nan 0.000 0.408 34 P HA 0.043 nan 4.420 nan 0.000 0.220 34 P C 0.281 177.709 177.300 0.213 0.000 1.152 34 P CA 1.078 64.257 63.100 0.132 0.000 0.812 34 P CB 0.178 31.937 31.700 0.098 0.000 0.792 35 V N 1.119 121.105 119.914 0.120 0.000 2.588 35 V HA 0.358 4.532 4.120 0.090 0.000 0.304 35 V C -0.313 175.802 176.094 0.036 0.000 1.042 35 V CA -0.704 61.716 62.300 0.201 0.000 0.877 35 V CB 1.934 33.905 31.823 0.246 0.000 0.996 35 V HN 0.143 nan 8.190 nan 0.000 0.425 36 H N 3.936 123.168 119.070 0.269 0.000 2.529 36 H HA 0.545 5.155 4.556 0.090 0.000 0.348 36 H C -0.274 175.043 175.328 -0.017 0.000 1.079 36 H CA -0.674 55.476 56.048 0.171 0.000 1.198 36 H CB 2.446 32.350 29.762 0.238 0.000 1.521 36 H HN 0.757 nan 8.280 nan 0.000 0.514 37 R N 1.192 121.584 120.500 -0.181 0.000 2.532 37 R HA 0.526 4.920 4.340 0.090 0.000 0.295 37 R C -1.168 175.048 176.300 -0.141 0.000 0.968 37 R CA -0.548 55.264 56.100 -0.480 0.000 0.916 37 R CB 1.201 30.838 30.300 -1.105 0.000 1.124 37 R HN 0.337 nan 8.270 nan 0.000 0.463 38 T N 2.544 117.026 114.554 -0.121 0.000 2.815 38 T HA 0.537 4.941 4.350 0.090 0.000 0.289 38 T C -0.513 174.167 174.700 -0.034 0.000 1.000 38 T CA -0.532 61.589 62.100 0.034 0.000 0.958 38 T CB 1.460 70.471 68.868 0.240 0.000 0.944 38 T HN 0.793 nan 8.240 nan 0.000 0.442 39 A N 3.196 126.008 122.820 -0.014 0.000 2.388 39 A HA 0.700 5.074 4.320 0.090 0.000 0.257 39 A C 0.676 178.275 177.584 0.024 0.000 1.095 39 A CA -0.303 51.731 52.037 -0.005 0.000 0.791 39 A CB 0.411 19.418 19.000 0.012 0.000 1.029 39 A HN 0.699 nan 8.150 nan 0.000 0.489 40 S N 0.208 115.925 115.700 0.029 0.000 2.718 40 S HA 0.657 5.181 4.470 0.090 0.000 0.292 40 S C 1.373 175.996 174.600 0.038 0.000 1.125 40 S CA 0.159 58.384 58.200 0.041 0.000 1.013 40 S CB 1.437 64.668 63.200 0.052 0.000 1.192 40 S HN 1.026 nan 8.310 nan 0.000 0.535 41 G N 0.161 108.984 108.800 0.038 0.000 2.728 41 G HA2 0.242 4.256 3.960 0.090 0.000 0.203 41 G HA3 0.242 4.256 3.960 0.090 0.000 0.203 41 G C -1.406 173.513 174.900 0.031 0.000 1.073 41 G CA 0.007 45.127 45.100 0.033 0.000 0.778 41 G HN 0.562 nan 8.290 nan 0.000 0.553 42 P HA 0.313 nan 4.420 nan 0.000 0.187 42 P C 1.214 178.532 177.300 0.030 0.000 1.106 42 P CA 1.042 64.159 63.100 0.027 0.000 0.793 42 P CB -0.107 31.607 31.700 0.023 0.000 0.787 43 G N -0.696 108.121 108.800 0.028 0.000 3.774 43 G HA2 0.169 4.183 3.960 0.090 0.000 0.287 43 G HA3 0.169 4.183 3.960 0.090 0.000 0.287 43 G C 0.087 175.010 174.900 0.038 0.000 1.030 43 G CA -0.125 44.991 45.100 0.027 0.000 0.824 43 G HN 0.121 nan 8.290 nan 0.000 0.518 44 K N 2.109 122.537 120.400 0.048 0.000 2.234 44 K HA 0.334 4.708 4.320 0.090 0.000 0.282 44 K C -2.054 174.600 176.600 0.090 0.000 1.039 44 K CA -1.526 54.803 56.287 0.070 0.000 0.928 44 K CB 1.428 33.968 32.500 0.067 0.000 1.039 44 K HN 0.100 nan 8.250 nan 0.000 0.470 45 P HA 0.097 nan 4.420 nan 0.000 0.276 45 P C -0.881 176.486 177.300 0.111 0.000 1.244 45 P CA -0.415 62.781 63.100 0.161 0.000 0.801 45 P CB 0.732 32.609 31.700 0.294 0.000 1.006 46 D N 0.382 120.835 120.400 0.089 0.000 2.357 46 D HA 0.256 4.950 4.640 0.090 0.000 0.242 46 D C 0.034 176.296 176.300 -0.063 0.000 1.153 46 D CA 0.653 54.648 54.000 -0.009 0.000 0.918 46 D CB 0.297 41.072 40.800 -0.042 0.000 1.181 46 D HN 0.235 nan 8.370 nan 0.000 0.435 47 T N 1.242 115.669 114.554 -0.212 0.000 2.861 47 T HA 0.378 4.782 4.350 0.090 0.000 0.287 47 T C -0.854 173.560 174.700 -0.476 0.000 1.003 47 T CA -0.488 61.417 62.100 -0.325 0.000 0.977 47 T CB 0.538 69.167 68.868 -0.397 0.000 0.996 47 T HN 0.093 nan 8.240 nan 0.000 0.448 48 Y N 1.760 121.813 120.300 -0.412 0.000 2.334 48 Y HA 0.470 5.074 4.550 0.090 0.000 0.336 48 Y C -0.524 175.149 175.900 -0.378 0.000 0.960 48 Y CA -1.144 56.779 58.100 -0.295 0.000 1.164 48 Y CB 0.785 39.113 38.460 -0.221 0.000 1.155 48 Y HN 0.585 nan 8.280 nan 0.000 0.478 49 Y N 2.196 122.528 120.300 0.054 0.000 2.327 49 Y HA 0.489 5.093 4.550 0.090 0.000 0.336 49 Y C -0.142 175.731 175.900 -0.045 0.000 1.035 49 Y CA -0.970 57.086 58.100 -0.073 0.000 1.165 49 Y CB 0.984 39.374 38.460 -0.118 0.000 1.181 49 Y HN 0.235 nan 8.280 nan 0.000 0.494 50 V N 5.124 124.984 119.914 -0.091 0.000 2.370 50 V HA 0.164 4.338 4.120 0.090 0.000 0.279 50 V C -0.202 175.756 176.094 -0.226 0.000 1.029 50 V CA -0.365 61.918 62.300 -0.029 0.000 0.870 50 V CB 0.760 32.549 31.823 -0.057 0.000 0.984 50 V HN 0.742 nan 8.190 nan 0.000 0.451 51 F N 0.965 120.912 119.950 -0.004 0.000 2.653 51 F HA 0.183 4.765 4.527 0.091 0.000 0.288 51 F C 1.567 177.384 175.800 0.029 0.000 1.121 51 F CA 0.184 58.172 58.000 -0.019 0.000 1.384 51 F CB 0.181 39.208 39.000 0.045 0.000 1.115 51 F HN 0.415 nan 8.300 nan 0.000 0.599 52 T N -0.120 114.568 114.554 0.224 0.000 2.910 52 T HA 0.022 4.426 4.350 0.090 0.000 0.293 52 T C 0.774 175.564 174.700 0.149 0.000 1.015 52 T CA -0.107 62.105 62.100 0.187 0.000 1.094 52 T CB 0.828 69.791 68.868 0.159 0.000 0.968 52 T HN 0.200 nan 8.240 nan 0.000 0.521 53 Y N 3.020 123.373 120.300 0.088 0.000 2.070 53 Y HA -0.226 4.377 4.550 0.089 0.000 0.280 53 Y C 2.139 178.066 175.900 0.045 0.000 1.148 53 Y CA 2.112 60.260 58.100 0.080 0.000 1.125 53 Y CB -0.189 38.321 38.460 0.084 0.000 0.975 53 Y HN 0.686 nan 8.280 nan 0.000 0.492 54 D N 0.072 120.546 120.400 0.122 0.000 2.133 54 D HA -0.191 4.503 4.640 0.090 0.000 0.195 54 D C 1.707 177.973 176.300 -0.058 0.000 0.997 54 D CA 1.777 55.786 54.000 0.016 0.000 0.840 54 D CB -0.383 40.469 40.800 0.087 0.000 0.947 54 D HN 0.488 nan 8.370 nan 0.000 0.452 55 D N -0.259 120.130 120.400 -0.019 0.000 2.234 55 D HA -0.041 4.653 4.640 0.090 0.000 0.205 55 D C 2.212 178.468 176.300 -0.074 0.000 0.962 55 D CA 0.128 54.111 54.000 -0.029 0.000 0.855 55 D CB 0.190 41.001 40.800 0.018 0.000 0.951 55 D HN 0.064 nan 8.370 nan 0.000 0.500 56 V N 0.598 120.446 119.914 -0.110 0.000 2.358 56 V HA -0.179 3.995 4.120 0.090 0.000 0.246 56 V C 2.632 178.623 176.094 -0.173 0.000 1.047 56 V CA 0.859 63.075 62.300 -0.140 0.000 1.035 56 V CB -0.205 31.527 31.823 -0.150 0.000 0.658 56 V HN 0.040 nan 8.190 nan 0.000 0.452 57 V N 0.069 119.824 119.914 -0.265 0.000 2.287 57 V HA -0.305 3.869 4.120 0.090 0.000 0.248 57 V C 2.584 178.602 176.094 -0.127 0.000 1.053 57 V CA 2.233 64.390 62.300 -0.238 0.000 1.027 57 V CB -0.783 30.855 31.823 -0.309 0.000 0.646 57 V HN 0.498 nan 8.190 nan 0.000 0.447 58 R N -0.653 119.784 120.500 -0.105 0.000 2.096 58 R HA -0.116 4.279 4.340 0.090 0.000 0.235 58 R C 2.199 178.456 176.300 -0.072 0.000 1.127 58 R CA 1.330 57.386 56.100 -0.072 0.000 0.968 58 R CB -0.530 29.736 30.300 -0.056 0.000 0.861 58 R HN 0.418 nan 8.270 nan 0.000 0.440 59 V N 1.043 120.907 119.914 -0.083 0.000 2.307 59 V HA -0.199 3.975 4.120 0.090 0.000 0.245 59 V C 1.943 177.995 176.094 -0.071 0.000 1.045 59 V CA 1.410 63.658 62.300 -0.087 0.000 1.024 59 V CB -0.289 31.473 31.823 -0.101 0.000 0.651 59 V HN 0.198 nan 8.190 nan 0.000 0.449 60 L N -0.328 120.859 121.223 -0.060 0.000 2.465 60 L HA 0.031 4.425 4.340 0.090 0.000 0.224 60 L C 2.344 179.204 176.870 -0.016 0.000 1.145 60 L CA 1.642 56.468 54.840 -0.023 0.000 0.834 60 L CB -1.057 40.998 42.059 -0.007 0.000 0.944 60 L HN 0.377 nan 8.230 nan 0.000 0.451 61 S N -1.387 114.290 115.700 -0.038 0.000 2.506 61 S HA 0.067 4.592 4.470 0.090 0.000 0.230 61 S C 1.048 175.623 174.600 -0.041 0.000 1.066 61 S CA -0.333 57.846 58.200 -0.035 0.000 0.940 61 S CB -0.041 63.136 63.200 -0.038 0.000 0.818 61 S HN 0.413 nan 8.310 nan 0.000 0.518 62 N N 2.318 120.989 118.700 -0.048 0.000 2.411 62 N HA -0.026 4.769 4.740 0.090 0.000 0.261 62 N C 0.590 176.065 175.510 -0.058 0.000 1.248 62 N CA 0.113 53.134 53.050 -0.049 0.000 0.885 62 N CB 0.536 38.991 38.487 -0.054 0.000 1.062 62 N HN 0.355 nan 8.380 nan 0.000 0.471 63 R N 3.389 123.862 120.500 -0.046 0.000 2.319 63 R HA -0.011 4.383 4.340 0.090 0.000 0.204 63 R C 0.786 177.052 176.300 -0.058 0.000 0.954 63 R CA 0.272 56.342 56.100 -0.051 0.000 1.066 63 R CB -0.305 29.982 30.300 -0.023 0.000 0.991 63 R HN 0.603 nan 8.270 nan 0.000 0.486 64 R N -0.114 120.351 120.500 -0.058 0.000 2.388 64 R HA 0.247 4.642 4.340 0.090 0.000 0.247 64 R C -0.376 175.835 176.300 -0.149 0.000 0.931 64 R CA -0.380 55.699 56.100 -0.035 0.000 1.082 64 R CB 0.183 30.496 30.300 0.021 0.000 1.135 64 R HN -0.082 nan 8.270 nan 0.000 0.525 65 L N 1.430 122.508 121.223 -0.242 0.000 2.313 65 L HA 0.608 5.002 4.340 0.090 0.000 0.283 65 L C 0.368 176.926 176.870 -0.520 0.000 1.013 65 L CA -0.518 54.135 54.840 -0.311 0.000 0.816 65 L CB 1.396 43.353 42.059 -0.169 0.000 1.236 65 L HN 0.256 nan 8.230 nan 0.000 0.419 66 G N 3.058 111.337 108.800 -0.868 0.000 3.140 66 G HA2 0.567 4.581 3.960 0.090 0.000 0.271 66 G HA3 0.567 4.581 3.960 0.090 0.000 0.271 66 G C 0.308 175.184 174.900 -0.040 0.000 1.370 66 G CA -0.350 44.330 45.100 -0.701 0.000 1.014 66 G HN 0.406 nan 8.290 nan 0.000 0.541 67 R N -0.376 120.237 120.500 0.189 0.000 2.308 67 R HA 0.181 4.575 4.340 0.090 0.000 0.202 67 R C 0.230 176.696 176.300 0.277 0.000 0.898 67 R CA -0.331 55.943 56.100 0.289 0.000 1.046 67 R CB -0.147 30.297 30.300 0.240 0.000 1.026 67 R HN 0.419 nan 8.270 nan 0.000 0.512 68 N N 1.247 120.098 118.700 0.252 0.000 2.457 68 N HA 0.187 4.981 4.740 0.090 0.000 0.250 68 N C 0.413 175.735 175.510 -0.313 0.000 0.982 68 N CA 0.040 53.069 53.050 -0.035 0.000 0.941 68 N CB 1.736 40.232 38.487 0.016 0.000 1.120 68 N HN 0.024 nan 8.380 nan 0.000 0.505 69 A N 3.937 126.216 122.820 -0.902 0.000 2.070 69 A HA -0.181 4.193 4.320 0.090 0.000 0.220 69 A C 2.047 179.251 177.584 -0.633 0.000 1.159 69 A CA 1.316 52.544 52.037 -1.348 0.000 0.656 69 A CB -0.123 17.707 19.000 -1.951 0.000 0.800 69 A HN 0.762 nan 8.150 nan 0.000 0.453 70 R N -0.471 119.775 120.500 -0.425 0.000 2.093 70 R HA 0.030 4.424 4.340 0.090 0.000 0.224 70 R C 1.437 177.584 176.300 -0.255 0.000 1.101 70 R CA 1.918 57.848 56.100 -0.283 0.000 0.979 70 R CB -1.023 29.147 30.300 -0.217 0.000 0.877 70 R HN 0.143 nan 8.270 nan 0.000 0.441 71 V N 1.191 120.930 119.914 -0.292 0.000 2.427 71 V HA -0.084 4.090 4.120 0.090 0.000 0.248 71 V C 2.444 178.256 176.094 -0.471 0.000 1.051 71 V CA 1.765 63.826 62.300 -0.399 0.000 1.048 71 V CB -0.744 30.750 31.823 -0.549 0.000 0.666 71 V HN 0.578 nan 8.190 nan 0.000 0.456 72 A N 0.612 123.228 122.820 -0.340 0.000 1.898 72 A HA -0.165 4.209 4.320 0.090 0.000 0.216 72 A C 2.492 180.045 177.584 -0.052 0.000 1.181 72 A CA 2.102 54.091 52.037 -0.080 0.000 0.620 72 A CB -0.553 18.596 19.000 0.248 0.000 0.819 72 A HN 0.661 nan 8.150 nan 0.000 0.442 73 S N -1.914 113.722 115.700 -0.107 0.000 2.478 73 S HA 0.350 4.875 4.470 0.090 0.000 0.222 73 S C 1.468 176.018 174.600 -0.082 0.000 1.008 73 S CA 1.127 59.285 58.200 -0.070 0.000 0.928 73 S CB -0.425 62.719 63.200 -0.093 0.000 0.781 73 S HN 1.942 nan 8.310 nan 0.000 0.518 74 G N 1.205 109.932 108.800 -0.122 0.000 2.221 74 G HA2 -0.214 3.800 3.960 0.090 0.000 0.265 74 G HA3 -0.214 3.800 3.960 0.090 0.000 0.265 74 G C -0.408 174.440 174.900 -0.087 0.000 1.041 74 G CA 0.345 45.382 45.100 -0.106 0.000 0.807 74 G HN 0.631 nan 8.290 nan 0.000 0.502 75 D N -0.500 119.841 120.400 -0.098 0.000 2.462 75 D HA 0.528 5.222 4.640 0.090 0.000 0.245 75 D C 1.768 178.011 176.300 -0.095 0.000 1.122 75 D CA 0.178 54.128 54.000 -0.084 0.000 0.864 75 D CB 0.655 41.410 40.800 -0.075 0.000 1.098 75 D HN 0.010 nan 8.370 nan 0.000 0.541 76 T N 1.727 116.234 114.554 -0.080 0.000 2.714 76 T HA -0.210 4.194 4.350 0.090 0.000 0.268 76 T C 1.090 175.741 174.700 -0.082 0.000 1.036 76 T CA 1.210 63.263 62.100 -0.078 0.000 1.148 76 T CB 0.039 68.871 68.868 -0.061 0.000 0.856 76 T HN 0.387 nan 8.240 nan 0.000 0.462 77 D N 1.146 121.501 120.400 -0.075 0.000 2.144 77 D HA -0.036 4.659 4.640 0.090 0.000 0.199 77 D C 1.510 177.755 176.300 -0.092 0.000 0.984 77 D CA 1.075 55.031 54.000 -0.074 0.000 0.834 77 D CB -0.650 40.114 40.800 -0.059 0.000 0.955 77 D HN 0.524 nan 8.370 nan 0.000 0.465 78 T N -0.388 114.099 114.554 -0.111 0.000 2.901 78 T HA 0.415 4.820 4.350 0.090 0.000 0.301 78 T C 0.149 174.745 174.700 -0.173 0.000 1.012 78 T CA -0.753 61.260 62.100 -0.145 0.000 1.135 78 T CB 1.006 69.765 68.868 -0.182 0.000 0.936 78 T HN 0.068 nan 8.240 nan 0.000 0.539 79 A N 6.811 129.525 122.820 -0.177 0.000 2.477 79 A HA 0.421 4.795 4.320 0.090 0.000 0.246 79 A C -0.485 176.954 177.584 -0.242 0.000 1.078 79 A CA -1.275 50.652 52.037 -0.184 0.000 0.770 79 A CB -0.003 18.898 19.000 -0.165 0.000 1.011 79 A HN 0.837 nan 8.150 nan 0.000 0.494 80 P HA -0.076 nan 4.420 nan 0.000 0.217 80 P C 0.475 177.606 177.300 -0.283 0.000 1.150 80 P CA 1.922 64.885 63.100 -0.229 0.000 0.832 80 P CB -0.417 31.194 31.700 -0.148 0.000 0.787 81 V N -5.009 114.739 119.914 -0.276 0.000 3.001 81 V HA 0.522 4.696 4.120 0.090 0.000 0.314 81 V C -2.524 173.409 176.094 -0.268 0.000 1.099 81 V CA -2.703 59.382 62.300 -0.358 0.000 0.989 81 V CB 1.364 32.930 31.823 -0.428 0.000 1.040 81 V HN -0.246 nan 8.190 nan 0.000 0.434 82 P HA 0.227 nan 4.420 nan 0.000 0.246 82 P C -0.479 176.770 177.300 -0.085 0.000 1.675 82 P CA 0.466 63.502 63.100 -0.107 0.000 0.908 82 P CB -0.559 31.119 31.700 -0.037 0.000 1.890 83 I N -1.692 118.793 120.570 -0.142 0.000 2.499 83 I HA 0.604 4.828 4.170 0.090 0.000 0.288 83 I C -3.120 172.880 176.117 -0.195 0.000 1.048 83 I CA -3.469 57.725 61.300 -0.178 0.000 1.062 83 I CB 2.194 40.103 38.000 -0.152 0.000 1.238 83 I HN -0.281 nan 8.210 nan 0.000 0.426 84 P HA 0.139 nan 4.420 nan 0.000 0.265 84 P C 0.504 177.707 177.300 -0.162 0.000 1.187 84 P CA 0.091 63.081 63.100 -0.184 0.000 0.766 84 P CB 0.457 32.041 31.700 -0.194 0.000 0.820 85 T N 1.022 115.478 114.554 -0.163 0.000 2.849 85 T HA -0.180 4.224 4.350 0.090 0.000 0.270 85 T C 1.308 175.881 174.700 -0.211 0.000 1.066 85 T CA 1.460 63.469 62.100 -0.153 0.000 1.130 85 T CB -0.482 68.311 68.868 -0.125 0.000 0.864 85 T HN 0.501 nan 8.240 nan 0.000 0.481 86 E N 1.033 121.026 120.200 -0.346 0.000 2.114 86 E HA -0.146 4.259 4.350 0.090 0.000 0.199 86 E C 0.733 177.020 176.600 -0.523 0.000 1.008 86 E CA 1.017 57.112 56.400 -0.509 0.000 0.810 86 E CB -0.237 28.975 29.700 -0.812 0.000 0.739 86 E HN 0.639 nan 8.360 nan 0.000 0.456 87 H N 0.505 119.503 119.070 -0.120 0.000 2.820 87 H HA 0.206 4.816 4.556 0.091 0.000 0.248 87 H C 1.062 176.343 175.328 -0.078 0.000 1.714 87 H CA -0.144 55.849 56.048 -0.091 0.000 1.334 87 H CB 0.394 30.079 29.762 -0.129 0.000 1.693 87 H HN 0.003 nan 8.280 nan 0.000 0.548 88 R N 2.015 122.511 120.500 -0.007 0.000 2.081 88 R HA -0.075 4.319 4.340 0.090 0.000 0.235 88 R C 1.886 178.196 176.300 0.018 0.000 1.131 88 R CA 1.215 57.309 56.100 -0.010 0.000 0.960 88 R CB -0.128 30.161 30.300 -0.019 0.000 0.856 88 R HN 0.546 nan 8.270 nan 0.000 0.436 89 A N 0.878 123.727 122.820 0.048 0.000 1.930 89 A HA -0.154 4.220 4.320 0.090 0.000 0.217 89 A C 2.123 179.744 177.584 0.062 0.000 1.175 89 A CA 1.067 53.145 52.037 0.068 0.000 0.627 89 A CB -0.506 18.551 19.000 0.094 0.000 0.815 89 A HN 0.298 nan 8.150 nan 0.000 0.443 90 L N -0.277 120.981 121.223 0.059 0.000 2.027 90 L HA -0.079 4.315 4.340 0.090 0.000 0.206 90 L C 2.379 179.211 176.870 -0.063 0.000 1.074 90 L CA 2.468 57.322 54.840 0.023 0.000 0.745 90 L CB -0.702 41.380 42.059 0.039 0.000 0.898 90 L HN 0.385 nan 8.230 nan 0.000 0.433 91 R N -0.641 119.826 120.500 -0.056 0.000 2.083 91 R HA -0.154 4.240 4.340 0.090 0.000 0.237 91 R C 2.143 178.376 176.300 -0.111 0.000 1.137 91 R CA 2.417 58.454 56.100 -0.105 0.000 0.951 91 R CB -1.094 29.155 30.300 -0.084 0.000 0.851 91 R HN 0.470 nan 8.270 nan 0.000 0.434 92 T N -0.071 114.450 114.554 -0.055 0.000 2.635 92 T HA -0.157 4.247 4.350 0.090 0.000 0.267 92 T C 1.842 176.514 174.700 -0.047 0.000 1.040 92 T CA 1.725 63.807 62.100 -0.030 0.000 1.156 92 T CB -0.476 68.402 68.868 0.017 0.000 0.863 92 T HN 0.039 nan 8.240 nan 0.000 0.430 93 V N 1.115 121.003 119.914 -0.043 0.000 2.255 93 V HA -0.171 4.004 4.120 0.090 0.000 0.247 93 V C 2.688 178.557 176.094 -0.375 0.000 1.051 93 V CA 1.550 63.823 62.300 -0.046 0.000 1.018 93 V CB -0.665 31.196 31.823 0.063 0.000 0.641 93 V HN 0.329 nan 8.190 nan 0.000 0.445 94 V N 0.906 120.455 119.914 -0.609 0.000 2.358 94 V HA -0.224 3.950 4.120 0.090 0.000 0.246 94 V C 2.369 178.142 176.094 -0.535 0.000 1.047 94 V CA 2.053 63.687 62.300 -1.110 0.000 1.035 94 V CB -0.837 30.506 31.823 -0.801 0.000 0.658 94 V HN 0.860 nan 8.190 nan 0.000 0.452 95 E N 0.011 120.055 120.200 -0.260 0.000 2.516 95 E HA -0.152 4.252 4.350 0.090 0.000 0.199 95 E C 1.132 177.733 176.600 0.002 0.000 1.069 95 E CA 0.674 57.020 56.400 -0.090 0.000 0.876 95 E CB -0.277 29.373 29.700 -0.084 0.000 0.843 95 E HN 0.567 nan 8.360 nan 0.000 0.530 96 N N 0.178 118.865 118.700 -0.021 0.000 2.203 96 N HA 0.035 4.829 4.740 0.090 0.000 0.207 96 N C -0.975 174.645 175.510 0.184 0.000 1.130 96 N CA -0.109 52.996 53.050 0.092 0.000 0.861 96 N CB 0.279 38.831 38.487 0.107 0.000 1.005 96 N HN 0.175 nan 8.380 nan 0.000 0.507 97 W N 1.223 122.456 121.300 -0.113 0.000 2.287 97 W HA 0.163 4.879 4.660 0.095 0.000 0.313 97 W C 1.504 177.780 176.519 -0.404 0.000 1.267 97 W CA -1.088 55.981 57.345 -0.461 0.000 1.201 97 W CB 0.280 29.296 29.460 -0.739 0.000 1.196 97 W HN -0.043 nan 8.180 nan 0.000 0.536 98 L N 4.317 125.464 121.223 -0.127 0.000 2.081 98 L HA -0.203 4.191 4.340 0.090 0.000 0.212 98 L C 1.989 178.936 176.870 0.129 0.000 1.080 98 L CA 1.833 56.705 54.840 0.053 0.000 0.754 98 L CB -1.073 41.074 42.059 0.146 0.000 0.893 98 L HN 0.357 nan 8.230 nan 0.000 0.433 99 V N -0.826 119.040 119.914 -0.080 0.000 2.568 99 V HA -0.257 3.917 4.120 0.090 0.000 0.253 99 V C 1.573 177.457 176.094 -0.349 0.000 1.072 99 V CA 1.705 63.874 62.300 -0.218 0.000 1.084 99 V CB -0.543 31.019 31.823 -0.435 0.000 0.676 99 V HN 0.472 nan 8.190 nan 0.000 0.469 100 F N -0.629 119.320 119.950 -0.001 0.000 2.639 100 F HA 0.453 5.035 4.527 0.092 0.000 0.300 100 F C 0.264 176.090 175.800 0.043 0.000 1.109 100 F CA -1.020 56.975 58.000 -0.008 0.000 1.335 100 F CB -0.214 38.787 39.000 0.002 0.000 1.014 100 F HN 0.062 nan 8.300 nan 0.000 0.537 101 L N 0.112 121.488 121.223 0.254 0.000 2.344 101 L HA 0.411 4.806 4.340 0.090 0.000 0.272 101 L C 0.053 177.095 176.870 0.287 0.000 1.035 101 L CA -0.532 54.441 54.840 0.220 0.000 0.807 101 L CB 0.844 42.947 42.059 0.073 0.000 1.237 101 L HN -0.115 nan 8.230 nan 0.000 0.442 102 D N 1.650 122.195 120.400 0.242 0.000 2.299 102 D HA 0.441 5.135 4.640 0.090 0.000 0.243 102 D C -2.414 174.021 176.300 0.225 0.000 0.982 102 D CA -1.383 52.745 54.000 0.214 0.000 0.924 102 D CB 1.617 42.563 40.800 0.243 0.000 1.238 102 D HN 0.203 nan 8.370 nan 0.000 0.484 103 P HA 0.130 nan 4.420 nan 0.000 0.272 103 P C -1.567 175.829 177.300 0.160 0.000 1.223 103 P CA -0.755 62.449 63.100 0.175 0.000 0.784 103 P CB 0.408 32.173 31.700 0.108 0.000 0.923 104 P HA -0.112 nan 4.420 nan 0.000 0.230 104 P C 1.329 178.752 177.300 0.205 0.000 1.168 104 P CA 1.263 64.451 63.100 0.147 0.000 0.793 104 P CB -0.053 31.707 31.700 0.101 0.000 0.851 105 H N -0.152 118.981 119.070 0.105 0.000 2.319 105 H HA -0.245 4.365 4.556 0.091 0.000 0.297 105 H C 2.373 177.767 175.328 0.109 0.000 1.097 105 H CA 1.856 57.962 56.048 0.097 0.000 1.285 105 H CB -0.213 29.610 29.762 0.102 0.000 1.368 105 H HN 0.173 nan 8.280 nan 0.000 0.495 106 H N -0.109 119.006 119.070 0.075 0.000 2.352 106 H HA -0.115 4.495 4.556 0.090 0.000 0.299 106 H C 2.077 177.420 175.328 0.026 0.000 1.097 106 H CA 2.494 58.541 56.048 -0.002 0.000 1.311 106 H CB -0.242 29.544 29.762 0.040 0.000 1.377 106 H HN 0.301 nan 8.280 nan 0.000 0.504 107 T N 0.288 114.894 114.554 0.086 0.000 2.708 107 T HA -0.144 4.260 4.350 0.090 0.000 0.266 107 T C 1.744 176.437 174.700 -0.012 0.000 1.037 107 T CA 1.604 63.723 62.100 0.031 0.000 1.146 107 T CB -0.221 68.702 68.868 0.092 0.000 0.865 107 T HN 0.506 nan 8.240 nan 0.000 0.435 108 E N 0.599 120.828 120.200 0.049 0.000 2.085 108 E HA -0.095 4.309 4.350 0.090 0.000 0.194 108 E C 2.082 178.702 176.600 0.034 0.000 0.994 108 E CA 0.765 57.199 56.400 0.057 0.000 0.801 108 E CB -0.226 29.536 29.700 0.103 0.000 0.743 108 E HN 0.178 nan 8.360 nan 0.000 0.453 109 L N 1.040 122.276 121.223 0.021 0.000 2.044 109 L HA -0.087 4.308 4.340 0.090 0.000 0.205 109 L C 2.325 179.156 176.870 -0.064 0.000 1.075 109 L CA 1.703 56.539 54.840 -0.006 0.000 0.747 109 L CB -0.387 41.653 42.059 -0.032 0.000 0.903 109 L HN -0.087 nan 8.230 nan 0.000 0.435 110 R N -1.206 119.187 120.500 -0.178 0.000 2.091 110 R HA -0.182 4.213 4.340 0.090 0.000 0.238 110 R C 2.491 178.757 176.300 -0.058 0.000 1.136 110 R CA 1.608 57.613 56.100 -0.159 0.000 0.959 110 R CB -0.425 29.698 30.300 -0.295 0.000 0.856 110 R HN 0.483 nan 8.270 nan 0.000 0.437 111 S N 0.338 116.009 115.700 -0.048 0.000 2.370 111 S HA -0.157 4.367 4.470 0.090 0.000 0.226 111 S C 1.839 176.442 174.600 0.004 0.000 1.033 111 S CA 1.362 59.555 58.200 -0.012 0.000 1.011 111 S CB -0.252 62.946 63.200 -0.004 0.000 0.852 111 S HN 0.390 nan 8.310 nan 0.000 0.457 112 L N 0.507 121.734 121.223 0.007 0.000 2.156 112 L HA 0.183 4.578 4.340 0.090 0.000 0.208 112 L C 1.851 178.735 176.870 0.023 0.000 1.095 112 L CA 1.397 56.246 54.840 0.015 0.000 0.770 112 L CB -0.417 41.656 42.059 0.022 0.000 0.914 112 L HN 0.301 nan 8.230 nan 0.000 0.439 113 L N -1.240 120.007 121.223 0.039 0.000 2.202 113 L HA -0.002 4.392 4.340 0.090 0.000 0.205 113 L C 2.532 179.496 176.870 0.157 0.000 1.083 113 L CA 1.824 56.721 54.840 0.096 0.000 0.790 113 L CB -1.122 41.004 42.059 0.110 0.000 0.942 113 L HN 0.312 nan 8.230 nan 0.000 0.452 114 T N -1.176 113.443 114.554 0.110 0.000 2.803 114 T HA -0.208 4.197 4.350 0.090 0.000 0.269 114 T C 1.942 176.701 174.700 0.098 0.000 1.052 114 T CA 2.059 64.238 62.100 0.130 0.000 1.136 114 T CB -0.186 68.718 68.868 0.060 0.000 0.864 114 T HN 0.608 nan 8.240 nan 0.000 0.467 115 T N -0.095 114.479 114.554 0.034 0.000 2.803 115 T HA -0.084 4.320 4.350 0.090 0.000 0.269 115 T C 1.594 176.259 174.700 -0.059 0.000 1.052 115 T CA 1.162 63.258 62.100 -0.008 0.000 1.136 115 T CB -0.316 68.539 68.868 -0.021 0.000 0.864 115 T HN 0.381 nan 8.240 nan 0.000 0.467 116 E N 0.551 120.676 120.200 -0.126 0.000 2.482 116 E HA 0.107 4.511 4.350 0.090 0.000 0.196 116 E C 0.278 176.522 176.600 -0.594 0.000 1.047 116 E CA 0.405 56.585 56.400 -0.367 0.000 0.869 116 E CB -0.222 29.173 29.700 -0.509 0.000 0.836 116 E HN 0.706 nan 8.360 nan 0.000 0.520 117 F N 0.550 120.470 119.950 -0.049 0.000 2.805 117 F HA 0.127 4.707 4.527 0.087 0.000 0.317 117 F C 0.753 176.520 175.800 -0.056 0.000 1.146 117 F CA -0.652 57.311 58.000 -0.060 0.000 1.265 117 F CB 0.224 39.177 39.000 -0.079 0.000 0.992 117 F HN -0.232 nan 8.300 nan 0.000 0.511 118 S N -0.373 115.359 115.700 0.054 0.000 2.593 118 S HA 0.204 4.728 4.470 0.090 0.000 0.269 118 S C -1.672 172.938 174.600 0.016 0.000 1.334 118 S CA -0.923 57.295 58.200 0.030 0.000 1.015 118 S CB 1.280 64.481 63.200 0.002 0.000 0.912 118 S HN -0.047 nan 8.310 nan 0.000 0.541 119 P HA -0.128 nan 4.420 nan 0.000 0.216 119 P C 1.813 179.111 177.300 -0.003 0.000 1.150 119 P CA 1.521 64.621 63.100 0.001 0.000 0.843 119 P CB -0.107 31.592 31.700 -0.002 0.000 0.787 120 S N -1.142 114.554 115.700 -0.007 0.000 2.356 120 S HA -0.151 4.373 4.470 0.090 0.000 0.223 120 S C 1.879 176.469 174.600 -0.017 0.000 1.032 120 S CA 1.131 59.324 58.200 -0.012 0.000 1.005 120 S CB -0.990 62.202 63.200 -0.014 0.000 0.867 120 S HN -0.031 nan 8.310 nan 0.000 0.449 121 I N 1.034 121.589 120.570 -0.025 0.000 2.315 121 I HA -0.106 4.118 4.170 0.090 0.000 0.248 121 I C 2.187 178.288 176.117 -0.027 0.000 1.117 121 I CA 0.786 62.062 61.300 -0.040 0.000 1.404 121 I CB -0.223 37.732 38.000 -0.075 0.000 1.071 121 I HN 0.217 nan 8.210 nan 0.000 0.419 122 V N 0.254 120.163 119.914 -0.010 0.000 2.427 122 V HA -0.255 3.919 4.120 0.090 0.000 0.248 122 V C 2.433 178.524 176.094 -0.005 0.000 1.051 122 V CA 2.196 64.496 62.300 -0.000 0.000 1.048 122 V CB -0.755 31.073 31.823 0.008 0.000 0.666 122 V HN 0.442 nan 8.190 nan 0.000 0.456 123 T N 0.342 114.892 114.554 -0.006 0.000 2.788 123 T HA -0.105 4.299 4.350 0.090 0.000 0.268 123 T C 1.821 176.517 174.700 -0.006 0.000 1.044 123 T CA 1.507 63.604 62.100 -0.004 0.000 1.139 123 T CB -0.446 68.420 68.868 -0.004 0.000 0.867 123 T HN 0.623 nan 8.240 nan 0.000 0.454 124 G N 0.492 109.286 108.800 -0.011 0.000 2.484 124 G HA2 -0.035 3.979 3.960 0.090 0.000 0.218 124 G HA3 -0.035 3.979 3.960 0.090 0.000 0.218 124 G C 1.309 176.202 174.900 -0.012 0.000 1.130 124 G CA 0.215 45.307 45.100 -0.013 0.000 0.784 124 G HN 0.339 nan 8.290 nan 0.000 0.543 125 L N 0.210 121.425 121.223 -0.012 0.000 2.341 125 L HA 0.270 4.664 4.340 0.090 0.000 0.214 125 L C 2.763 179.630 176.870 -0.004 0.000 1.115 125 L CA 0.647 55.481 54.840 -0.010 0.000 0.820 125 L CB -0.492 41.561 42.059 -0.011 0.000 0.944 125 L HN 0.133 nan 8.230 nan 0.000 0.452 126 R N 0.292 120.791 120.500 -0.001 0.000 2.094 126 R HA -0.182 4.212 4.340 0.090 0.000 0.239 126 R C -0.365 175.939 176.300 0.007 0.000 1.137 126 R CA 2.040 58.143 56.100 0.004 0.000 0.943 126 R CB -1.913 28.391 30.300 0.007 0.000 0.850 126 R HN 0.354 nan 8.270 nan 0.000 0.433 127 P HA -0.212 nan 4.420 nan 0.000 0.217 127 P C 0.896 178.200 177.300 0.007 0.000 1.148 127 P CA 1.578 64.682 63.100 0.008 0.000 0.828 127 P CB 0.003 31.706 31.700 0.005 0.000 0.783 128 R N 0.503 121.005 120.500 0.003 0.000 2.127 128 R HA 0.077 4.471 4.340 0.090 0.000 0.217 128 R C 2.236 178.536 176.300 -0.001 0.000 1.074 128 R CA 1.087 57.187 56.100 0.000 0.000 0.991 128 R CB -1.794 28.503 30.300 -0.004 0.000 0.895 128 R HN 0.131 nan 8.270 nan 0.000 0.450 129 I N 0.971 121.541 120.570 -0.001 0.000 2.493 129 I HA -0.101 4.124 4.170 0.090 0.000 0.254 129 I C 2.158 178.281 176.117 0.010 0.000 1.160 129 I CA 1.106 62.404 61.300 -0.004 0.000 1.445 129 I CB -0.305 37.694 38.000 -0.003 0.000 1.086 129 I HN 0.380 nan 8.210 nan 0.000 0.433 130 A N 1.313 124.145 122.820 0.020 0.000 1.898 130 A HA -0.179 4.195 4.320 0.090 0.000 0.214 130 A C 2.227 179.833 177.584 0.037 0.000 1.183 130 A CA 1.402 53.460 52.037 0.035 0.000 0.622 130 A CB -0.491 18.527 19.000 0.030 0.000 0.824 130 A HN 0.588 nan 8.150 nan 0.000 0.444 131 E N -0.633 119.580 120.200 0.023 0.000 2.208 131 E HA -0.114 4.291 4.350 0.090 0.000 0.193 131 E C 1.654 178.268 176.600 0.022 0.000 0.988 131 E CA 0.802 57.216 56.400 0.023 0.000 0.828 131 E CB -0.296 29.412 29.700 0.014 0.000 0.763 131 E HN 0.347 nan 8.360 nan 0.000 0.478 132 L N 1.677 122.906 121.223 0.009 0.000 2.005 132 L HA -0.036 4.358 4.340 0.090 0.000 0.207 132 L C 2.576 179.452 176.870 0.011 0.000 1.072 132 L CA 1.981 56.814 54.840 -0.012 0.000 0.744 132 L CB -1.079 40.953 42.059 -0.045 0.000 0.895 132 L HN 0.249 nan 8.230 nan 0.000 0.433 133 A N -1.930 120.919 122.820 0.047 0.000 1.883 133 A HA -0.254 4.120 4.320 0.090 0.000 0.217 133 A C 2.577 180.308 177.584 0.244 0.000 1.186 133 A CA 2.136 54.288 52.037 0.192 0.000 0.624 133 A CB -1.068 18.082 19.000 0.250 0.000 0.822 133 A HN 0.427 nan 8.150 nan 0.000 0.444 134 S N -0.658 115.121 115.700 0.133 0.000 2.359 134 S HA -0.105 4.419 4.470 0.090 0.000 0.224 134 S C 2.224 176.873 174.600 0.081 0.000 1.035 134 S CA 1.680 59.934 58.200 0.091 0.000 1.018 134 S CB -0.494 62.740 63.200 0.056 0.000 0.876 134 S HN 0.839 nan 8.310 nan 0.000 0.448 135 A N 1.215 124.074 122.820 0.065 0.000 1.933 135 A HA -0.008 4.366 4.320 0.090 0.000 0.218 135 A C 2.047 179.672 177.584 0.067 0.000 1.175 135 A CA 1.256 53.323 52.037 0.049 0.000 0.628 135 A CB -0.679 18.337 19.000 0.027 0.000 0.814 135 A HN 0.486 nan 8.150 nan 0.000 0.444 136 L N -0.898 120.385 121.223 0.100 0.000 2.017 136 L HA -0.102 4.292 4.340 0.090 0.000 0.208 136 L C 2.363 179.345 176.870 0.186 0.000 1.073 136 L CA 1.369 56.296 54.840 0.144 0.000 0.745 136 L CB -1.250 40.921 42.059 0.186 0.000 0.894 136 L HN 0.260 nan 8.230 nan 0.000 0.432 137 L N -0.571 120.768 121.223 0.192 0.000 2.141 137 L HA -0.174 4.221 4.340 0.090 0.000 0.209 137 L C 2.268 179.160 176.870 0.036 0.000 1.094 137 L CA 1.389 56.266 54.840 0.062 0.000 0.763 137 L CB -1.171 40.875 42.059 -0.022 0.000 0.908 137 L HN 0.272 nan 8.230 nan 0.000 0.437 138 D N -0.558 119.871 120.400 0.047 0.000 2.123 138 D HA -0.207 4.487 4.640 0.090 0.000 0.196 138 D C 2.400 178.719 176.300 0.032 0.000 0.992 138 D CA 0.992 55.011 54.000 0.032 0.000 0.833 138 D CB 0.127 40.948 40.800 0.034 0.000 0.954 138 D HN 0.125 nan 8.370 nan 0.000 0.455 139 R N -0.504 120.022 120.500 0.044 0.000 2.115 139 R HA -0.030 4.364 4.340 0.090 0.000 0.226 139 R C 1.743 178.068 176.300 0.042 0.000 1.100 139 R CA 0.266 56.393 56.100 0.044 0.000 0.980 139 R CB -0.227 30.106 30.300 0.056 0.000 0.875 139 R HN 0.171 nan 8.270 nan 0.000 0.445 140 L N 1.026 122.276 121.223 0.044 0.000 2.610 140 L HA -0.010 4.385 4.340 0.090 0.000 0.232 140 L C 1.649 178.527 176.870 0.014 0.000 1.149 140 L CA 1.072 55.933 54.840 0.035 0.000 0.872 140 L CB -0.087 41.995 42.059 0.038 0.000 0.992 140 L HN 0.019 nan 8.230 nan 0.000 0.447 141 R N -1.762 118.745 120.500 0.012 0.000 2.254 141 R HA 0.261 4.656 4.340 0.090 0.000 0.193 141 R C 1.972 178.278 176.300 0.009 0.000 0.929 141 R CA 0.735 56.837 56.100 0.004 0.000 1.038 141 R CB -0.084 30.217 30.300 0.001 0.000 1.009 141 R HN 0.281 nan 8.270 nan 0.000 0.512 142 A N 2.142 124.971 122.820 0.015 0.000 2.125 142 A HA -0.129 4.245 4.320 0.090 0.000 0.219 142 A C 1.080 178.674 177.584 0.017 0.000 1.156 142 A CA 0.809 52.856 52.037 0.017 0.000 0.671 142 A CB -0.174 18.839 19.000 0.022 0.000 0.794 142 A HN 0.336 nan 8.150 nan 0.000 0.459 143 Q N -0.766 119.044 119.800 0.017 0.000 2.342 143 Q HA 0.448 4.843 4.340 0.090 0.000 0.267 143 Q C 0.351 176.359 176.000 0.013 0.000 1.038 143 Q CA -0.671 55.142 55.803 0.017 0.000 0.832 143 Q CB 1.187 29.938 28.738 0.022 0.000 1.323 143 Q HN 0.478 nan 8.270 nan 0.000 0.448 144 R N 1.910 122.417 120.500 0.012 0.000 2.091 144 R HA -0.039 4.355 4.340 0.090 0.000 0.238 144 R C 0.419 176.725 176.300 0.010 0.000 1.136 144 R CA 1.030 57.136 56.100 0.010 0.000 0.959 144 R CB -0.092 30.213 30.300 0.009 0.000 0.856 144 R HN 0.511 nan 8.270 nan 0.000 0.437 145 R N 1.655 122.163 120.500 0.013 0.000 2.629 145 R HA 0.314 4.708 4.340 0.090 0.000 0.277 145 R C -2.484 173.827 176.300 0.019 0.000 1.637 145 R CA -1.759 54.350 56.100 0.015 0.000 1.663 145 R CB 1.677 31.986 30.300 0.016 0.000 1.228 145 R HN 0.242 nan 8.270 nan 0.000 0.632 146 P HA -0.058 nan 4.420 nan 0.000 0.266 146 P C -0.745 176.570 177.300 0.025 0.000 1.195 146 P CA 0.092 63.206 63.100 0.023 0.000 0.768 146 P CB 0.919 32.628 31.700 0.015 0.000 0.838 147 D N 2.859 123.280 120.400 0.035 0.000 2.412 147 D HA 0.079 4.773 4.640 0.090 0.000 0.224 147 D C 1.012 177.344 176.300 0.054 0.000 1.093 147 D CA -0.543 53.478 54.000 0.036 0.000 0.850 147 D CB 0.328 41.150 40.800 0.037 0.000 1.046 147 D HN -0.053 nan 8.370 nan 0.000 0.507 148 L N 4.102 125.350 121.223 0.042 0.000 2.353 148 L HA -0.075 4.319 4.340 0.090 0.000 0.220 148 L C 1.901 178.848 176.870 0.128 0.000 1.133 148 L CA 0.840 55.726 54.840 0.076 0.000 0.798 148 L CB -0.547 41.523 42.059 0.018 0.000 0.922 148 L HN 0.404 nan 8.230 nan 0.000 0.445 149 V N -0.027 119.929 119.914 0.071 0.000 2.283 149 V HA -0.198 3.976 4.120 0.090 0.000 0.239 149 V C 2.403 178.542 176.094 0.075 0.000 1.035 149 V CA 1.467 63.805 62.300 0.062 0.000 1.018 149 V CB -0.549 31.284 31.823 0.018 0.000 0.658 149 V HN 0.549 nan 8.190 nan 0.000 0.459 150 E N 1.226 121.466 120.200 0.066 0.000 2.106 150 E HA -0.125 4.279 4.350 0.090 0.000 0.192 150 E C 2.002 178.658 176.600 0.093 0.000 0.984 150 E CA 1.570 58.013 56.400 0.073 0.000 0.806 150 E CB -0.546 29.190 29.700 0.060 0.000 0.750 150 E HN 0.521 nan 8.360 nan 0.000 0.458 151 G N -1.415 107.449 108.800 0.107 0.000 2.985 151 G HA2 0.100 4.115 3.960 0.090 0.000 0.209 151 G HA3 0.100 4.115 3.960 0.090 0.000 0.209 151 G C 0.633 175.657 174.900 0.207 0.000 1.165 151 G CA 0.394 45.572 45.100 0.131 0.000 0.776 151 G HN 0.376 nan 8.290 nan 0.000 0.541 152 F N -0.980 118.974 119.950 0.006 0.000 1.746 152 F HA 0.347 4.894 4.527 0.034 0.000 0.248 152 F C 2.174 177.976 175.800 0.004 0.000 1.206 152 F CA 0.699 58.697 58.000 -0.003 0.000 1.313 152 F CB -0.375 38.623 39.000 -0.003 0.000 1.848 152 F HN 0.022 nan 8.300 nan 0.000 0.333 153 A N 0.941 123.828 122.820 0.111 0.000 1.978 153 A HA 0.021 4.396 4.320 0.090 0.000 0.220 153 A C 2.093 179.644 177.584 -0.055 0.000 1.170 153 A CA 2.446 54.492 52.037 0.015 0.000 0.636 153 A CB -1.363 17.706 19.000 0.115 0.000 0.810 153 A HN 0.598 nan 8.150 nan 0.000 0.448 154 A N -0.318 122.494 122.820 -0.014 0.000 1.861 154 A HA 0.192 4.566 4.320 0.090 0.000 0.212 154 A C 0.199 177.738 177.584 -0.075 0.000 1.199 154 A CA 1.147 53.205 52.037 0.034 0.000 0.613 154 A CB -1.310 17.736 19.000 0.077 0.000 0.846 154 A HN 0.414 nan 8.150 nan 0.000 0.446 155 P HA -0.156 nan 4.420 nan 0.000 0.215 155 P C 1.660 178.793 177.300 -0.277 0.000 1.153 155 P CA 0.887 63.847 63.100 -0.233 0.000 0.853 155 P CB -0.066 31.460 31.700 -0.289 0.000 0.788 156 L N 1.029 122.046 121.223 -0.343 0.000 1.970 156 L HA -0.087 4.308 4.340 0.090 0.000 0.212 156 L C -0.876 175.882 176.870 -0.187 0.000 1.071 156 L CA 2.853 57.493 54.840 -0.333 0.000 0.751 156 L CB -2.396 39.338 42.059 -0.542 0.000 0.889 156 L HN 0.050 nan 8.230 nan 0.000 0.432 157 P HA -0.122 nan 4.420 nan 0.000 0.223 157 P C 2.147 179.431 177.300 -0.027 0.000 1.151 157 P CA 1.525 64.597 63.100 -0.047 0.000 0.787 157 P CB -0.009 31.694 31.700 0.006 0.000 0.788 158 I N -0.847 119.669 120.570 -0.089 0.000 2.286 158 I HA -0.167 4.057 4.170 0.090 0.000 0.245 158 I C 2.219 178.309 176.117 -0.045 0.000 1.104 158 I CA 0.847 62.076 61.300 -0.120 0.000 1.397 158 I CB -0.525 37.333 38.000 -0.237 0.000 1.072 158 I HN -0.109 nan 8.210 nan 0.000 0.417 159 L N 0.204 121.380 121.223 -0.078 0.000 2.093 159 L HA -0.131 4.264 4.340 0.090 0.000 0.208 159 L C 2.483 179.340 176.870 -0.021 0.000 1.085 159 L CA 1.520 56.329 54.840 -0.052 0.000 0.755 159 L CB -1.120 40.871 42.059 -0.113 0.000 0.904 159 L HN 0.053 nan 8.230 nan 0.000 0.435 160 V N -0.509 119.387 119.914 -0.030 0.000 2.244 160 V HA -0.257 3.918 4.120 0.090 0.000 0.244 160 V C 2.394 178.503 176.094 0.025 0.000 1.042 160 V CA 1.545 63.841 62.300 -0.007 0.000 1.006 160 V CB -0.379 31.436 31.823 -0.012 0.000 0.641 160 V HN 0.286 nan 8.190 nan 0.000 0.446 161 I N -0.035 120.559 120.570 0.039 0.000 2.361 161 I HA -0.172 4.052 4.170 0.090 0.000 0.251 161 I C 2.467 178.635 176.117 0.085 0.000 1.133 161 I CA 1.426 62.771 61.300 0.075 0.000 1.413 161 I CB -0.332 37.711 38.000 0.071 0.000 1.073 161 I HN 0.192 nan 8.210 nan 0.000 0.424 162 S N 0.502 116.251 115.700 0.081 0.000 2.382 162 S HA -0.147 4.377 4.470 0.090 0.000 0.228 162 S C 2.179 176.836 174.600 0.096 0.000 1.027 162 S CA 1.213 59.483 58.200 0.117 0.000 0.991 162 S CB -0.527 62.742 63.200 0.114 0.000 0.823 162 S HN 0.659 nan 8.310 nan 0.000 0.469 163 A N 1.515 124.369 122.820 0.056 0.000 1.898 163 A HA 0.022 4.396 4.320 0.090 0.000 0.216 163 A C 1.959 179.556 177.584 0.021 0.000 1.181 163 A CA 0.958 53.016 52.037 0.035 0.000 0.620 163 A CB -0.565 18.444 19.000 0.014 0.000 0.819 163 A HN 0.367 nan 8.150 nan 0.000 0.442 164 L N -0.722 120.509 121.223 0.012 0.000 2.042 164 L HA -0.139 4.255 4.340 0.090 0.000 0.210 164 L C 2.416 179.282 176.870 -0.007 0.000 1.076 164 L CA 1.376 56.197 54.840 -0.033 0.000 0.749 164 L CB -1.470 40.557 42.059 -0.053 0.000 0.893 164 L HN 0.271 nan 8.230 nan 0.000 0.432 165 L N -0.060 121.196 121.223 0.055 0.000 2.141 165 L HA 0.036 4.430 4.340 0.090 0.000 0.209 165 L C 1.486 178.416 176.870 0.101 0.000 1.094 165 L CA 1.528 56.425 54.840 0.094 0.000 0.763 165 L CB -1.210 40.955 42.059 0.176 0.000 0.908 165 L HN 0.547 nan 8.230 nan 0.000 0.437 166 G N 0.057 108.910 108.800 0.088 0.000 2.203 166 G HA2 -0.217 3.798 3.960 0.090 0.000 0.231 166 G HA3 -0.217 3.798 3.960 0.090 0.000 0.231 166 G C 0.293 175.255 174.900 0.102 0.000 1.058 166 G CA 0.380 45.524 45.100 0.074 0.000 0.781 166 G HN 0.464 nan 8.290 nan 0.000 0.496 167 I N -2.819 117.839 120.570 0.145 0.000 2.863 167 I HA 0.796 5.020 4.170 0.090 0.000 0.311 167 I C -2.267 173.931 176.117 0.135 0.000 1.026 167 I CA -3.302 58.101 61.300 0.172 0.000 1.077 167 I CB 1.451 39.648 38.000 0.328 0.000 1.262 167 I HN -0.133 nan 8.210 nan 0.000 0.461 168 P HA 0.107 nan 4.420 nan 0.000 0.266 168 P C -0.004 177.367 177.300 0.118 0.000 1.215 168 P CA 0.146 63.303 63.100 0.094 0.000 0.763 168 P CB 0.537 32.276 31.700 0.066 0.000 0.806 169 E N 1.955 122.213 120.200 0.097 0.000 2.160 169 E HA -0.233 4.172 4.350 0.090 0.000 0.195 169 E C 0.989 177.690 176.600 0.169 0.000 0.991 169 E CA 1.233 57.703 56.400 0.116 0.000 0.810 169 E CB 0.011 29.758 29.700 0.077 0.000 0.742 169 E HN 0.561 nan 8.360 nan 0.000 0.466 170 E N 0.725 120.994 120.200 0.115 0.000 2.401 170 E HA -0.134 4.270 4.350 0.090 0.000 0.199 170 E C 0.741 177.369 176.600 0.048 0.000 1.023 170 E CA 0.772 57.225 56.400 0.088 0.000 0.859 170 E CB 0.071 29.795 29.700 0.039 0.000 0.780 170 E HN 0.202 nan 8.360 nan 0.000 0.523 171 D N -0.538 119.914 120.400 0.087 0.000 2.328 171 D HA -0.024 4.670 4.640 0.090 0.000 0.221 171 D C 1.240 177.602 176.300 0.103 0.000 1.072 171 D CA 0.231 54.282 54.000 0.085 0.000 0.850 171 D CB -0.109 40.771 40.800 0.133 0.000 0.922 171 D HN 0.511 nan 8.370 nan 0.000 0.516 172 H N -0.466 118.648 119.070 0.074 0.000 2.457 172 H HA -0.058 4.556 4.556 0.096 0.000 0.297 172 H C 1.422 176.765 175.328 0.026 0.000 1.092 172 H CA 1.800 57.867 56.048 0.033 0.000 1.309 172 H CB -0.414 29.347 29.762 -0.001 0.000 1.382 172 H HN -0.148 nan 8.280 nan 0.000 0.535 173 T N -0.758 113.537 114.554 -0.433 0.000 2.937 173 T HA -0.103 4.301 4.350 0.090 0.000 0.260 173 T C 1.451 176.124 174.700 -0.044 0.000 1.051 173 T CA 0.887 62.851 62.100 -0.227 0.000 1.141 173 T CB -0.461 68.244 68.868 -0.272 0.000 0.879 173 T HN 0.536 nan 8.240 nan 0.000 0.459 174 W N 1.648 122.841 121.300 -0.178 0.000 2.379 174 W HA -0.037 4.676 4.660 0.089 0.000 0.307 174 W C 1.617 178.035 176.519 -0.169 0.000 1.200 174 W CA 0.475 57.723 57.345 -0.163 0.000 1.297 174 W CB -0.421 28.940 29.460 -0.166 0.000 1.140 174 W HN 0.018 nan 8.180 nan 0.000 0.507 175 L N 1.147 122.439 121.223 0.114 0.000 2.012 175 L HA -0.209 4.185 4.340 0.090 0.000 0.210 175 L C 2.557 179.430 176.870 0.006 0.000 1.073 175 L CA 2.209 57.089 54.840 0.067 0.000 0.748 175 L CB -1.973 40.175 42.059 0.149 0.000 0.891 175 L HN 0.071 nan 8.230 nan 0.000 0.431 176 R N 0.296 120.776 120.500 -0.033 0.000 2.073 176 R HA -0.107 4.287 4.340 0.090 0.000 0.234 176 R C 2.170 178.463 176.300 -0.012 0.000 1.134 176 R CA 1.867 57.958 56.100 -0.016 0.000 0.952 176 R CB -0.772 29.522 30.300 -0.010 0.000 0.850 176 R HN 0.286 nan 8.270 nan 0.000 0.433 177 A N 0.675 123.422 122.820 -0.123 0.000 1.902 177 A HA -0.137 4.238 4.320 0.090 0.000 0.217 177 A C 1.921 179.365 177.584 -0.232 0.000 1.181 177 A CA 1.707 53.645 52.037 -0.165 0.000 0.623 177 A CB -0.632 18.236 19.000 -0.220 0.000 0.818 177 A HN 0.500 nan 8.150 nan 0.000 0.443 178 N N 0.184 118.618 118.700 -0.444 0.000 2.270 178 N HA -0.064 4.730 4.740 0.090 0.000 0.181 178 N C 1.891 177.374 175.510 -0.045 0.000 1.016 178 N CA 1.247 53.967 53.050 -0.550 0.000 0.870 178 N CB -0.323 37.314 38.487 -1.416 0.000 0.979 178 N HN 0.482 nan 8.380 nan 0.000 0.431 179 A N 0.781 123.738 122.820 0.227 0.000 1.930 179 A HA -0.044 4.330 4.320 0.090 0.000 0.217 179 A C 2.481 180.215 177.584 0.249 0.000 1.175 179 A CA 1.004 53.288 52.037 0.412 0.000 0.627 179 A CB -0.568 18.714 19.000 0.470 0.000 0.815 179 A HN 0.085 nan 8.150 nan 0.000 0.443 180 V N -0.180 119.823 119.914 0.148 0.000 2.427 180 V HA -0.195 3.979 4.120 0.090 0.000 0.248 180 V C 3.026 179.156 176.094 0.060 0.000 1.051 180 V CA 1.739 64.099 62.300 0.100 0.000 1.048 180 V CB -1.150 30.708 31.823 0.059 0.000 0.666 180 V HN 0.595 nan 8.190 nan 0.000 0.456 181 A N 0.132 122.962 122.820 0.017 0.000 1.902 181 A HA -0.183 4.191 4.320 0.090 0.000 0.217 181 A C 2.156 179.764 177.584 0.039 0.000 1.181 181 A CA 1.996 54.028 52.037 -0.008 0.000 0.623 181 A CB -0.556 18.401 19.000 -0.072 0.000 0.818 181 A HN 0.437 nan 8.150 nan 0.000 0.443 182 L N -0.388 120.904 121.223 0.116 0.000 2.093 182 L HA -0.112 4.283 4.340 0.090 0.000 0.208 182 L C 2.223 179.186 176.870 0.156 0.000 1.085 182 L CA 2.592 57.542 54.840 0.183 0.000 0.755 182 L CB -1.261 41.010 42.059 0.354 0.000 0.904 182 L HN 0.451 nan 8.230 nan 0.000 0.435 183 Q N 0.586 120.476 119.800 0.151 0.000 2.308 183 Q HA -0.212 4.182 4.340 0.090 0.000 0.209 183 Q C 1.832 177.844 176.000 0.019 0.000 0.985 183 Q CA 1.703 57.568 55.803 0.103 0.000 0.881 183 Q CB -0.284 28.530 28.738 0.126 0.000 0.917 183 Q HN 0.713 nan 8.270 nan 0.000 0.443 184 E N -1.052 119.140 120.200 -0.013 0.000 2.409 184 E HA -0.095 4.310 4.350 0.090 0.000 0.198 184 E C 1.239 177.725 176.600 -0.189 0.000 1.024 184 E CA 0.727 57.066 56.400 -0.101 0.000 0.861 184 E CB -0.071 29.554 29.700 -0.125 0.000 0.788 184 E HN 0.443 nan 8.360 nan 0.000 0.521 185 A N 1.376 124.147 122.820 -0.081 0.000 2.218 185 A HA 0.045 4.419 4.320 0.090 0.000 0.209 185 A C 1.375 178.963 177.584 0.007 0.000 1.168 185 A CA -0.158 51.866 52.037 -0.023 0.000 0.804 185 A CB 0.187 19.274 19.000 0.145 0.000 0.834 185 A HN 0.091 nan 8.150 nan 0.000 0.482 186 S N 0.444 116.124 115.700 -0.032 0.000 2.558 186 S HA 0.146 4.670 4.470 0.090 0.000 0.288 186 S C 1.793 176.367 174.600 -0.043 0.000 1.318 186 S CA 0.534 58.709 58.200 -0.041 0.000 1.056 186 S CB 0.538 63.675 63.200 -0.106 0.000 0.853 186 S HN 0.708 nan 8.310 nan 0.000 0.505 187 T N 0.382 114.929 114.554 -0.011 0.000 3.025 187 T HA -0.095 4.309 4.350 0.090 0.000 0.270 187 T C 1.233 175.917 174.700 -0.027 0.000 1.126 187 T CA 1.414 63.516 62.100 0.002 0.000 1.105 187 T CB -0.636 68.247 68.868 0.024 0.000 0.884 187 T HN 0.709 nan 8.240 nan 0.000 0.522 188 T N -0.832 113.687 114.554 -0.059 0.000 3.215 188 T HA 0.391 4.796 4.350 0.090 0.000 0.271 188 T C 0.475 175.117 174.700 -0.097 0.000 1.012 188 T CA -0.958 61.090 62.100 -0.086 0.000 0.899 188 T CB 0.121 68.916 68.868 -0.121 0.000 1.089 188 T HN 0.102 nan 8.240 nan 0.000 0.552 189 R N 0.453 120.895 120.500 -0.097 0.000 2.543 189 R HA 0.740 5.135 4.340 0.090 0.000 0.268 189 R C 1.667 177.902 176.300 -0.108 0.000 1.067 189 R CA 0.093 56.129 56.100 -0.106 0.000 1.142 189 R CB 0.375 30.593 30.300 -0.137 0.000 1.110 189 R HN 0.246 nan 8.270 nan 0.000 0.549 190 A N 1.681 124.446 122.820 -0.093 0.000 1.842 190 A HA -0.189 4.186 4.320 0.090 0.000 0.217 190 A C 0.770 178.291 177.584 -0.104 0.000 1.206 190 A CA 1.452 53.443 52.037 -0.077 0.000 0.630 190 A CB -0.335 18.629 19.000 -0.060 0.000 0.839 190 A HN 0.646 nan 8.150 nan 0.000 0.447 191 R N 0.735 121.142 120.500 -0.155 0.000 3.205 191 R HA -0.154 4.241 4.340 0.090 0.000 0.249 191 R C -1.730 174.512 176.300 -0.096 0.000 0.937 191 R CA 1.045 57.019 56.100 -0.210 0.000 0.641 191 R CB -2.389 27.684 30.300 -0.377 0.000 1.114 191 R HN 0.716 nan 8.270 nan 0.000 0.451 192 D N -0.563 119.801 120.400 -0.061 0.000 2.425 192 D HA 0.508 5.202 4.640 0.090 0.000 0.240 192 D C 0.079 176.365 176.300 -0.023 0.000 1.080 192 D CA 0.895 54.882 54.000 -0.023 0.000 0.836 192 D CB 1.373 42.163 40.800 -0.017 0.000 1.125 192 D HN 0.454 nan 8.370 nan 0.000 0.525 193 G N 3.033 111.830 108.800 -0.004 0.000 2.694 193 G HA2 -0.262 3.752 3.960 0.090 0.000 0.247 193 G HA3 -0.262 3.752 3.960 0.090 0.000 0.247 193 G C 0.458 175.351 174.900 -0.011 0.000 0.989 193 G CA -0.266 44.834 45.100 -0.001 0.000 1.252 193 G HN 0.602 nan 8.290 nan 0.000 0.483 194 R N -1.547 118.958 120.500 0.008 0.000 4.016 194 R HA -0.230 4.164 4.340 0.090 0.000 0.385 194 R C 2.352 178.632 176.300 -0.034 0.000 1.158 194 R CA 2.615 58.719 56.100 0.007 0.000 1.117 194 R CB -2.110 28.197 30.300 0.012 0.000 1.635 194 R HN 1.782 nan 8.270 nan 0.000 0.560 195 G N -0.460 108.282 108.800 -0.097 0.000 2.491 195 G HA2 -0.331 3.684 3.960 0.090 0.000 0.218 195 G HA3 -0.331 3.684 3.960 0.090 0.000 0.218 195 G C 1.058 175.862 174.900 -0.161 0.000 1.180 195 G CA 1.093 46.093 45.100 -0.166 0.000 0.774 195 G HN 0.366 nan 8.290 nan 0.000 0.562 196 Y N 1.318 121.519 120.300 -0.165 0.000 2.181 196 Y HA 0.042 4.647 4.550 0.091 0.000 0.288 196 Y C 3.168 178.873 175.900 -0.325 0.000 1.146 196 Y CA 0.467 58.351 58.100 -0.360 0.000 1.164 196 Y CB -0.828 37.245 38.460 -0.646 0.000 0.982 196 Y HN 0.270 nan 8.280 nan 0.000 0.515 197 A N 0.028 122.856 122.820 0.013 0.000 1.908 197 A HA -0.221 4.153 4.320 0.090 0.000 0.218 197 A C 2.334 179.938 177.584 0.034 0.000 1.181 197 A CA 1.835 53.911 52.037 0.065 0.000 0.627 197 A CB -0.580 18.471 19.000 0.086 0.000 0.818 197 A HN 0.408 nan 8.150 nan 0.000 0.445 198 R N -0.781 119.722 120.500 0.005 0.000 2.092 198 R HA -0.027 4.367 4.340 0.090 0.000 0.231 198 R C 2.451 178.750 176.300 -0.003 0.000 1.119 198 R CA 1.130 57.225 56.100 -0.009 0.000 0.970 198 R CB -0.378 29.906 30.300 -0.026 0.000 0.864 198 R HN 0.514 nan 8.270 nan 0.000 0.440 199 A N 0.787 123.612 122.820 0.008 0.000 1.969 199 A HA -0.194 4.180 4.320 0.090 0.000 0.218 199 A C 1.976 179.599 177.584 0.066 0.000 1.169 199 A CA 1.528 53.593 52.037 0.046 0.000 0.635 199 A CB -0.288 18.750 19.000 0.062 0.000 0.810 199 A HN 0.256 nan 8.150 nan 0.000 0.445 200 E N 0.618 120.849 120.200 0.052 0.000 2.031 200 E HA -0.088 4.316 4.350 0.090 0.000 0.193 200 E C 2.015 178.662 176.600 0.079 0.000 0.994 200 E CA 1.849 58.301 56.400 0.086 0.000 0.800 200 E CB -0.554 29.227 29.700 0.135 0.000 0.752 200 E HN 0.429 nan 8.360 nan 0.000 0.447 201 A N 0.828 123.678 122.820 0.050 0.000 1.902 201 A HA -0.020 4.354 4.320 0.090 0.000 0.217 201 A C 2.459 180.038 177.584 -0.007 0.000 1.181 201 A CA 2.167 54.221 52.037 0.028 0.000 0.623 201 A CB -1.080 17.925 19.000 0.008 0.000 0.818 201 A HN 0.408 nan 8.150 nan 0.000 0.443 202 A N -0.470 122.328 122.820 -0.037 0.000 1.883 202 A HA -0.102 4.272 4.320 0.090 0.000 0.217 202 A C 2.443 180.024 177.584 -0.004 0.000 1.186 202 A CA 2.128 54.083 52.037 -0.137 0.000 0.624 202 A CB -0.979 17.974 19.000 -0.078 0.000 0.822 202 A HN 0.451 nan 8.150 nan 0.000 0.444 203 S N -0.584 115.216 115.700 0.167 0.000 2.370 203 S HA -0.239 4.285 4.470 0.090 0.000 0.226 203 S C 2.131 176.889 174.600 0.264 0.000 1.033 203 S CA 1.645 60.020 58.200 0.292 0.000 1.011 203 S CB -0.323 62.997 63.200 0.200 0.000 0.852 203 S HN 0.684 nan 8.310 nan 0.000 0.457 204 Q N 0.254 120.152 119.800 0.163 0.000 2.079 204 Q HA -0.103 4.291 4.340 0.090 0.000 0.200 204 Q C 2.184 178.295 176.000 0.184 0.000 0.974 204 Q CA 0.926 56.825 55.803 0.158 0.000 0.840 204 Q CB -0.048 28.756 28.738 0.109 0.000 0.898 204 Q HN 0.429 nan 8.270 nan 0.000 0.430 205 E N 0.005 120.272 120.200 0.113 0.000 2.077 205 E HA -0.169 4.235 4.350 0.090 0.000 0.193 205 E C 1.776 178.556 176.600 0.300 0.000 0.989 205 E CA 1.007 57.498 56.400 0.152 0.000 0.800 205 E CB -0.176 29.463 29.700 -0.102 0.000 0.746 205 E HN 0.304 nan 8.360 nan 0.000 0.452 206 F N 1.287 121.398 119.950 0.268 0.000 2.186 206 F HA -0.114 4.467 4.527 0.089 0.000 0.299 206 F C 2.620 178.699 175.800 0.465 0.000 1.090 206 F CA 1.126 59.348 58.000 0.370 0.000 1.307 206 F CB -0.961 38.281 39.000 0.404 0.000 1.019 206 F HN -0.034 nan 8.300 nan 0.000 0.489 207 T N -0.001 114.876 114.554 0.539 0.000 2.684 207 T HA -0.195 4.209 4.350 0.090 0.000 0.267 207 T C 2.111 177.018 174.700 0.345 0.000 1.036 207 T CA 1.582 63.927 62.100 0.409 0.000 1.148 207 T CB -0.218 68.816 68.868 0.276 0.000 0.863 207 T HN 0.199 nan 8.240 nan 0.000 0.436 208 R N -0.406 120.268 120.500 0.290 0.000 2.075 208 R HA -0.020 4.375 4.340 0.090 0.000 0.232 208 R C 2.328 178.742 176.300 0.190 0.000 1.126 208 R CA 1.239 57.462 56.100 0.205 0.000 0.963 208 R CB -0.516 29.884 30.300 0.166 0.000 0.858 208 R HN 0.436 nan 8.270 nan 0.000 0.435 209 Y N 0.608 120.965 120.300 0.096 0.000 2.145 209 Y HA -0.221 4.383 4.550 0.091 0.000 0.286 209 Y C 1.697 177.538 175.900 -0.098 0.000 1.145 209 Y CA 1.562 59.615 58.100 -0.079 0.000 1.148 209 Y CB -0.170 38.232 38.460 -0.097 0.000 0.981 209 Y HN -0.118 nan 8.280 nan 0.000 0.507 210 F N -0.004 120.199 119.950 0.421 0.000 2.367 210 F HA 0.017 4.597 4.527 0.089 0.000 0.298 210 F C 2.359 178.236 175.800 0.127 0.000 1.094 210 F CA 0.994 59.151 58.000 0.261 0.000 1.409 210 F CB -0.450 38.741 39.000 0.318 0.000 1.064 210 F HN -0.066 nan 8.300 nan 0.000 0.528 211 R N -0.223 120.444 120.500 0.278 0.000 2.115 211 R HA -0.094 4.300 4.340 0.090 0.000 0.230 211 R C 2.357 178.708 176.300 0.086 0.000 1.111 211 R CA 0.796 56.998 56.100 0.169 0.000 0.976 211 R CB -0.286 30.100 30.300 0.144 0.000 0.870 211 R HN 0.232 nan 8.270 nan 0.000 0.445 212 R N 1.101 121.618 120.500 0.029 0.000 2.070 212 R HA -0.131 4.264 4.340 0.090 0.000 0.233 212 R C 1.818 178.081 176.300 -0.061 0.000 1.137 212 R CA 1.368 57.438 56.100 -0.050 0.000 0.945 212 R CB 0.029 30.243 30.300 -0.143 0.000 0.845 212 R HN 0.112 nan 8.270 nan 0.000 0.430 213 E N 0.282 120.431 120.200 -0.086 0.000 2.130 213 E HA -0.187 4.217 4.350 0.090 0.000 0.196 213 E C 1.963 178.582 176.600 0.032 0.000 0.998 213 E CA 1.687 58.061 56.400 -0.044 0.000 0.806 213 E CB -0.288 29.431 29.700 0.031 0.000 0.738 213 E HN 0.405 nan 8.360 nan 0.000 0.459 214 V N 0.940 120.897 119.914 0.073 0.000 2.788 214 V HA -0.144 4.030 4.120 0.090 0.000 0.251 214 V C 1.624 177.741 176.094 0.037 0.000 1.068 214 V CA 2.049 64.388 62.300 0.065 0.000 1.090 214 V CB -0.492 31.383 31.823 0.085 0.000 0.710 214 V HN 0.098 nan 8.190 nan 0.000 0.467 215 D N -0.425 119.992 120.400 0.027 0.000 2.371 215 D HA -0.108 4.586 4.640 0.090 0.000 0.221 215 D C 1.801 178.103 176.300 0.003 0.000 0.986 215 D CA 0.474 54.484 54.000 0.016 0.000 0.899 215 D CB -0.274 40.534 40.800 0.013 0.000 0.902 215 D HN 0.311 nan 8.370 nan 0.000 0.530 216 R N -0.151 120.347 120.500 -0.003 0.000 2.427 216 R HA 0.259 4.653 4.340 0.090 0.000 0.262 216 R C 0.421 176.720 176.300 -0.002 0.000 0.943 216 R CA -0.194 55.898 56.100 -0.013 0.000 1.081 216 R CB -0.136 30.144 30.300 -0.033 0.000 1.166 216 R HN -0.026 nan 8.270 nan 0.000 0.534 217 R N 0.233 120.739 120.500 0.009 0.000 3.351 217 R HA 0.318 4.712 4.340 0.090 0.000 0.296 217 R C -0.389 175.916 176.300 0.009 0.000 1.427 217 R CA -0.367 55.741 56.100 0.013 0.000 1.257 217 R CB 0.103 30.418 30.300 0.024 0.000 1.378 217 R HN 0.120 nan 8.270 nan 0.000 0.610 218 G N -1.413 107.390 108.800 0.004 0.000 2.824 218 G HA2 0.511 4.526 3.960 0.090 0.000 0.288 218 G HA3 0.511 4.526 3.960 0.090 0.000 0.288 218 G C -0.099 174.800 174.900 -0.001 0.000 1.554 218 G CA -0.054 45.047 45.100 0.002 0.000 1.107 218 G HN 0.304 nan 8.290 nan 0.000 0.566 219 G N 0.705 109.504 108.800 -0.002 0.000 3.038 219 G HA2 0.445 4.459 3.960 0.090 0.000 0.168 219 G HA3 0.445 4.459 3.960 0.090 0.000 0.168 219 G C -0.878 174.019 174.900 -0.005 0.000 1.559 219 G CA -0.009 45.088 45.100 -0.005 0.000 0.990 219 G HN 0.344 nan 8.290 nan 0.000 0.765 220 D N 1.687 122.084 120.400 -0.005 0.000 3.060 220 D HA 0.222 4.916 4.640 0.090 0.000 0.326 220 D C -1.084 175.213 176.300 -0.004 0.000 1.253 220 D CA -0.436 53.561 54.000 -0.005 0.000 0.737 220 D CB 0.191 40.987 40.800 -0.005 0.000 1.260 220 D HN 0.222 nan 8.370 nan 0.000 0.542 221 D N 2.588 122.986 120.400 -0.003 0.000 5.802 221 D HA -0.184 4.511 4.640 0.090 0.000 0.186 221 D C 1.010 177.308 176.300 -0.004 0.000 1.265 221 D CA 0.776 54.774 54.000 -0.002 0.000 0.778 221 D CB 0.451 41.250 40.800 -0.002 0.000 1.376 221 D HN 0.377 nan 8.370 nan 0.000 0.788 222 R N 2.061 122.559 120.500 -0.003 0.000 2.523 222 R HA 0.558 4.952 4.340 0.090 0.000 0.223 222 R C -0.115 176.179 176.300 -0.010 0.000 1.280 222 R CA -0.641 55.455 56.100 -0.006 0.000 1.047 222 R CB 0.230 30.528 30.300 -0.003 0.000 1.650 222 R HN 0.240 nan 8.270 nan 0.000 0.545 223 D N -0.293 120.098 120.400 -0.015 0.000 2.736 223 D HA 0.339 5.033 4.640 0.090 0.000 0.243 223 D C -1.922 174.360 176.300 -0.030 0.000 1.304 223 D CA -0.328 53.657 54.000 -0.025 0.000 0.934 223 D CB 0.852 41.631 40.800 -0.034 0.000 1.382 223 D HN 0.577 nan 8.370 nan 0.000 0.571 224 D N 2.272 122.655 120.400 -0.028 0.000 2.663 224 D HA 0.122 4.817 4.640 0.090 0.000 0.233 224 D C 0.642 176.927 176.300 -0.026 0.000 1.240 224 D CA -0.741 53.243 54.000 -0.027 0.000 0.774 224 D CB 0.449 41.251 40.800 0.004 0.000 1.443 224 D HN 0.062 nan 8.370 nan 0.000 0.441 225 L N 0.373 121.573 121.223 -0.038 0.000 2.054 225 L HA -0.186 4.209 4.340 0.090 0.000 0.220 225 L C 2.146 179.019 176.870 0.004 0.000 1.081 225 L CA 1.408 56.233 54.840 -0.026 0.000 0.780 225 L CB -1.305 40.748 42.059 -0.010 0.000 0.893 225 L HN 0.628 nan 8.230 nan 0.000 0.438 226 L N -0.528 120.713 121.223 0.029 0.000 1.997 226 L HA -0.269 4.125 4.340 0.090 0.000 0.216 226 L C 2.558 179.448 176.870 0.034 0.000 1.074 226 L CA 2.265 57.134 54.840 0.049 0.000 0.763 226 L CB -1.479 40.633 42.059 0.088 0.000 0.890 226 L HN 0.325 nan 8.230 nan 0.000 0.434 227 T N 0.122 114.690 114.554 0.023 0.000 2.708 227 T HA -0.161 4.243 4.350 0.090 0.000 0.266 227 T C 1.914 176.619 174.700 0.008 0.000 1.037 227 T CA 1.161 63.269 62.100 0.014 0.000 1.146 227 T CB -0.361 68.510 68.868 0.006 0.000 0.865 227 T HN 0.215 nan 8.240 nan 0.000 0.435 228 L N 0.974 122.196 121.223 -0.001 0.000 2.021 228 L HA -0.122 4.272 4.340 0.090 0.000 0.215 228 L C 2.245 179.119 176.870 0.006 0.000 1.074 228 L CA 1.970 56.806 54.840 -0.006 0.000 0.760 228 L CB -1.167 40.880 42.059 -0.021 0.000 0.889 228 L HN 0.215 nan 8.230 nan 0.000 0.433 229 L N -0.501 120.729 121.223 0.013 0.000 1.994 229 L HA -0.169 4.225 4.340 0.090 0.000 0.208 229 L C 2.758 179.644 176.870 0.026 0.000 1.071 229 L CA 1.391 56.244 54.840 0.022 0.000 0.745 229 L CB -1.300 40.774 42.059 0.025 0.000 0.892 229 L HN 0.067 nan 8.230 nan 0.000 0.431 230 V N -0.402 119.529 119.914 0.028 0.000 2.343 230 V HA -0.301 3.873 4.120 0.090 0.000 0.247 230 V C 2.737 178.844 176.094 0.021 0.000 1.051 230 V CA 1.916 64.233 62.300 0.028 0.000 1.036 230 V CB -0.619 31.223 31.823 0.030 0.000 0.654 230 V HN 0.470 nan 8.190 nan 0.000 0.451 231 R N 0.160 120.669 120.500 0.015 0.000 2.120 231 R HA -0.144 4.250 4.340 0.090 0.000 0.234 231 R C 2.213 178.520 176.300 0.011 0.000 1.123 231 R CA 1.545 57.651 56.100 0.011 0.000 0.975 231 R CB -0.398 29.905 30.300 0.006 0.000 0.866 231 R HN 0.494 nan 8.270 nan 0.000 0.446 232 A N 1.170 123.998 122.820 0.014 0.000 1.877 232 A HA -0.192 4.182 4.320 0.090 0.000 0.216 232 A C 2.193 179.787 177.584 0.016 0.000 1.186 232 A CA 1.484 53.530 52.037 0.015 0.000 0.620 232 A CB -0.625 18.386 19.000 0.019 0.000 0.822 232 A HN 0.443 nan 8.150 nan 0.000 0.443 233 R N -0.280 120.232 120.500 0.020 0.000 2.070 233 R HA -0.179 4.215 4.340 0.090 0.000 0.233 233 R C 1.399 177.708 176.300 0.016 0.000 1.137 233 R CA 1.970 58.082 56.100 0.020 0.000 0.945 233 R CB -0.481 29.834 30.300 0.026 0.000 0.845 233 R HN 0.420 nan 8.270 nan 0.000 0.430 234 D N -0.078 120.332 120.400 0.015 0.000 2.182 234 D HA -0.122 4.572 4.640 0.090 0.000 0.201 234 D C 1.542 177.847 176.300 0.009 0.000 0.986 234 D CA 1.932 55.939 54.000 0.012 0.000 0.847 234 D CB -0.144 40.663 40.800 0.011 0.000 0.942 234 D HN 0.500 nan 8.370 nan 0.000 0.467 235 T N -3.699 110.861 114.554 0.009 0.000 3.144 235 T HA 0.427 4.832 4.350 0.090 0.000 0.249 235 T C 1.460 176.163 174.700 0.006 0.000 1.089 235 T CA 0.467 62.571 62.100 0.007 0.000 0.989 235 T CB 0.710 69.581 68.868 0.006 0.000 0.992 235 T HN 0.193 nan 8.240 nan 0.000 0.540 236 G N 0.733 109.537 108.800 0.007 0.000 2.201 236 G HA2 -0.206 3.809 3.960 0.090 0.000 0.212 236 G HA3 -0.206 3.809 3.960 0.090 0.000 0.212 236 G C 0.193 175.097 174.900 0.006 0.000 0.994 236 G CA -0.179 44.925 45.100 0.006 0.000 0.644 236 G HN 0.631 nan 8.290 nan 0.000 0.508 237 S N 2.755 118.461 115.700 0.010 0.000 2.568 237 S HA 0.432 4.956 4.470 0.090 0.000 0.282 237 S C -1.602 173.003 174.600 0.008 0.000 1.338 237 S CA 0.017 58.224 58.200 0.012 0.000 1.045 237 S CB 1.172 64.383 63.200 0.019 0.000 0.873 237 S HN 0.372 nan 8.310 nan 0.000 0.516 238 P HA 0.240 nan 4.420 nan 0.000 0.249 238 P C -1.090 176.202 177.300 -0.013 0.000 1.737 238 P CA -0.105 62.983 63.100 -0.019 0.000 1.128 238 P CB -0.252 31.423 31.700 -0.042 0.000 1.942 239 L N 2.538 123.765 121.223 0.007 0.000 2.470 239 L HA 0.412 4.806 4.340 0.090 0.000 0.268 239 L C -0.142 176.747 176.870 0.032 0.000 0.964 239 L CA -0.475 54.383 54.840 0.031 0.000 0.839 239 L CB 2.198 44.285 42.059 0.046 0.000 1.276 239 L HN 0.201 nan 8.230 nan 0.000 0.403 240 S N 2.710 118.435 115.700 0.041 0.000 2.687 240 S HA 0.425 4.949 4.470 0.090 0.000 0.283 240 S C 1.164 175.798 174.600 0.058 0.000 1.170 240 S CA -0.068 58.157 58.200 0.042 0.000 1.008 240 S CB 1.535 64.759 63.200 0.040 0.000 1.026 240 S HN 1.128 nan 8.310 nan 0.000 0.541 241 V N -0.245 119.704 119.914 0.059 0.000 2.626 241 V HA -0.067 4.107 4.120 0.090 0.000 0.252 241 V C 1.476 177.624 176.094 0.090 0.000 1.067 241 V CA 2.017 64.361 62.300 0.073 0.000 1.081 241 V CB -1.079 30.788 31.823 0.073 0.000 0.686 241 V HN 0.832 nan 8.190 nan 0.000 0.468 242 D N 1.419 121.869 120.400 0.084 0.000 2.117 242 D HA -0.034 4.660 4.640 0.090 0.000 0.198 242 D C 2.223 178.584 176.300 0.102 0.000 0.982 242 D CA 1.796 55.853 54.000 0.096 0.000 0.828 242 D CB -0.709 40.138 40.800 0.078 0.000 0.967 242 D HN 0.580 nan 8.370 nan 0.000 0.464 243 G N 0.757 109.616 108.800 0.098 0.000 2.418 243 G HA2 -0.205 3.809 3.960 0.090 0.000 0.217 243 G HA3 -0.205 3.809 3.960 0.090 0.000 0.217 243 G C 1.812 176.771 174.900 0.099 0.000 1.158 243 G CA 0.335 45.505 45.100 0.117 0.000 0.771 243 G HN 0.267 nan 8.290 nan 0.000 0.545 244 I N 0.236 120.853 120.570 0.079 0.000 2.202 244 I HA -0.146 4.079 4.170 0.090 0.000 0.242 244 I C 2.794 178.922 176.117 0.019 0.000 1.091 244 I CA 0.461 61.792 61.300 0.051 0.000 1.368 244 I CB -0.344 37.690 38.000 0.057 0.000 1.058 244 I HN 0.021 nan 8.210 nan 0.000 0.410 245 V N 1.228 121.183 119.914 0.068 0.000 2.252 245 V HA -0.277 3.898 4.120 0.090 0.000 0.249 245 V C 2.612 178.729 176.094 0.039 0.000 1.056 245 V CA 2.385 64.738 62.300 0.089 0.000 1.022 245 V CB -1.489 30.453 31.823 0.199 0.000 0.641 245 V HN 0.595 nan 8.190 nan 0.000 0.445 246 G N -0.870 107.999 108.800 0.116 0.000 2.422 246 G HA2 -0.240 3.774 3.960 0.090 0.000 0.218 246 G HA3 -0.240 3.774 3.960 0.090 0.000 0.218 246 G C 1.676 176.696 174.900 0.200 0.000 1.146 246 G CA 1.522 46.747 45.100 0.207 0.000 0.769 246 G HN 0.487 nan 8.290 nan 0.000 0.547 247 T N 0.350 114.957 114.554 0.088 0.000 2.746 247 T HA -0.168 4.236 4.350 0.090 0.000 0.267 247 T C 2.481 177.122 174.700 -0.099 0.000 1.039 247 T CA 1.308 63.436 62.100 0.047 0.000 1.142 247 T CB -0.494 68.395 68.868 0.034 0.000 0.866 247 T HN 0.363 nan 8.240 nan 0.000 0.444 248 C N 1.008 120.137 119.300 -0.286 0.000 2.429 248 C HA -0.002 4.512 4.460 0.090 0.000 0.277 248 C C 2.868 177.516 174.990 -0.571 0.000 1.262 248 C CA 0.105 58.760 59.018 -0.605 0.000 1.733 248 C CB -1.197 25.702 27.740 -1.400 0.000 2.010 248 C HN 0.349 nan 8.230 nan 0.000 0.483 249 V N 0.145 119.803 119.914 -0.426 0.000 2.358 249 V HA -0.209 3.966 4.120 0.090 0.000 0.246 249 V C 2.471 178.412 176.094 -0.255 0.000 1.047 249 V CA 2.391 64.523 62.300 -0.280 0.000 1.035 249 V CB -0.857 30.982 31.823 0.026 0.000 0.658 249 V HN 0.593 nan 8.190 nan 0.000 0.452 250 H N -0.289 118.528 119.070 -0.421 0.000 2.353 250 H HA -0.100 4.512 4.556 0.092 0.000 0.300 250 H C 1.872 176.892 175.328 -0.513 0.000 1.090 250 H CA 1.686 57.240 56.048 -0.824 0.000 1.327 250 H CB -0.181 29.175 29.762 -0.677 0.000 1.383 250 H HN 0.205 nan 8.280 nan 0.000 0.508 251 L N -0.107 120.897 121.223 -0.364 0.000 2.141 251 L HA -0.069 4.325 4.340 0.090 0.000 0.209 251 L C 2.467 179.211 176.870 -0.209 0.000 1.094 251 L CA 1.110 55.759 54.840 -0.318 0.000 0.763 251 L CB -1.146 40.832 42.059 -0.134 0.000 0.908 251 L HN 0.356 nan 8.230 nan 0.000 0.437 252 L N -1.021 120.110 121.223 -0.152 0.000 2.044 252 L HA -0.147 4.247 4.340 0.090 0.000 0.205 252 L C 2.538 179.442 176.870 0.057 0.000 1.075 252 L CA 2.276 57.108 54.840 -0.013 0.000 0.747 252 L CB -0.832 41.242 42.059 0.026 0.000 0.903 252 L HN 0.472 nan 8.230 nan 0.000 0.435 253 T N -2.770 111.730 114.554 -0.090 0.000 2.770 253 T HA 0.001 4.405 4.350 0.090 0.000 0.258 253 T C 1.907 176.462 174.700 -0.241 0.000 1.039 253 T CA 0.805 62.857 62.100 -0.081 0.000 1.143 253 T CB -1.053 67.755 68.868 -0.101 0.000 0.866 253 T HN 0.312 nan 8.240 nan 0.000 0.428 254 A N 1.500 124.110 122.820 -0.349 0.000 2.067 254 A HA 0.331 4.705 4.320 0.090 0.000 0.219 254 A C 2.486 179.845 177.584 -0.376 0.000 1.158 254 A CA 1.271 53.067 52.037 -0.401 0.000 0.661 254 A CB -1.301 17.335 19.000 -0.606 0.000 0.801 254 A HN 0.653 nan 8.150 nan 0.000 0.452 255 G N -1.750 106.878 108.800 -0.285 0.000 2.920 255 G HA2 0.099 4.113 3.960 0.090 0.000 0.208 255 G HA3 0.099 4.113 3.960 0.090 0.000 0.208 255 G C 1.072 175.931 174.900 -0.068 0.000 1.159 255 G CA 1.126 46.115 45.100 -0.185 0.000 0.784 255 G HN 0.859 nan 8.290 nan 0.000 0.535 256 H N -1.923 117.041 119.070 -0.177 0.000 3.051 256 H HA 0.181 4.789 4.556 0.086 0.000 0.218 256 H C 1.496 176.725 175.328 -0.164 0.000 0.898 256 H CA 0.466 56.432 56.048 -0.136 0.000 0.989 256 H CB -0.154 29.561 29.762 -0.078 0.000 1.343 256 H HN 0.327 nan 8.280 nan 0.000 0.499 257 E N 1.532 121.066 120.200 -1.111 0.000 2.209 257 E HA -0.114 4.290 4.350 0.090 0.000 0.196 257 E C 2.020 178.258 176.600 -0.603 0.000 0.993 257 E CA 2.255 58.149 56.400 -0.844 0.000 0.819 257 E CB 0.178 29.433 29.700 -0.742 0.000 0.745 257 E HN 0.706 nan 8.360 nan 0.000 0.477 258 T N -1.405 112.774 114.554 -0.625 0.000 2.732 258 T HA -0.093 4.311 4.350 0.090 0.000 0.261 258 T C 2.151 176.746 174.700 -0.175 0.000 1.040 258 T CA 1.425 63.258 62.100 -0.445 0.000 1.145 258 T CB -0.661 67.964 68.868 -0.405 0.000 0.866 258 T HN -0.047 nan 8.240 nan 0.000 0.427 259 T N 2.038 116.513 114.554 -0.131 0.000 2.788 259 T HA -0.093 4.311 4.350 0.090 0.000 0.268 259 T C 2.209 176.946 174.700 0.061 0.000 1.044 259 T CA 1.777 63.873 62.100 -0.007 0.000 1.139 259 T CB -0.938 67.912 68.868 -0.030 0.000 0.867 259 T HN 0.500 nan 8.240 nan 0.000 0.454 260 T N 2.477 117.024 114.554 -0.012 0.000 2.684 260 T HA -0.114 4.291 4.350 0.090 0.000 0.267 260 T C 2.059 176.763 174.700 0.007 0.000 1.036 260 T CA 1.065 63.173 62.100 0.013 0.000 1.148 260 T CB -0.362 68.512 68.868 0.010 0.000 0.863 260 T HN 0.307 nan 8.240 nan 0.000 0.436 261 N N 0.604 119.284 118.700 -0.034 0.000 2.244 261 N HA -0.015 4.779 4.740 0.090 0.000 0.183 261 N C 1.537 177.058 175.510 0.017 0.000 1.016 261 N CA 0.687 53.719 53.050 -0.031 0.000 0.866 261 N CB -0.464 38.000 38.487 -0.038 0.000 0.980 261 N HN 0.407 nan 8.380 nan 0.000 0.430 262 F N 1.325 121.245 119.950 -0.051 0.000 2.084 262 F HA -0.116 4.442 4.527 0.051 0.000 0.296 262 F C 1.918 177.718 175.800 -0.000 0.000 1.111 262 F CA 0.875 58.860 58.000 -0.025 0.000 1.224 262 F CB -0.306 38.671 39.000 -0.039 0.000 0.991 262 F HN -0.124 nan 8.300 nan 0.000 0.471 263 L N 0.918 122.201 121.223 0.101 0.000 1.989 263 L HA -0.148 4.247 4.340 0.090 0.000 0.211 263 L C 2.802 179.618 176.870 -0.091 0.000 1.071 263 L CA 2.065 56.929 54.840 0.039 0.000 0.749 263 L CB -1.977 40.215 42.059 0.223 0.000 0.890 263 L HN 0.308 nan 8.230 nan 0.000 0.431 264 A N -0.912 121.872 122.820 -0.059 0.000 1.883 264 A HA -0.233 4.141 4.320 0.090 0.000 0.217 264 A C 2.314 179.800 177.584 -0.163 0.000 1.186 264 A CA 1.790 53.766 52.037 -0.102 0.000 0.624 264 A CB -0.441 18.491 19.000 -0.114 0.000 0.822 264 A HN 0.408 nan 8.150 nan 0.000 0.444 265 K N -0.434 119.863 120.400 -0.171 0.000 2.211 265 K HA 0.033 4.407 4.320 0.090 0.000 0.203 265 K C 2.219 178.723 176.600 -0.159 0.000 1.050 265 K CA 0.809 57.023 56.287 -0.120 0.000 0.945 265 K CB -0.248 32.245 32.500 -0.012 0.000 0.732 265 K HN 0.459 nan 8.250 nan 0.000 0.451 266 A N 1.118 123.737 122.820 -0.335 0.000 1.902 266 A HA -0.111 4.263 4.320 0.090 0.000 0.217 266 A C 2.338 179.805 177.584 -0.194 0.000 1.181 266 A CA 1.220 53.033 52.037 -0.373 0.000 0.623 266 A CB -0.571 18.034 19.000 -0.659 0.000 0.818 266 A HN 0.052 nan 8.150 nan 0.000 0.443 267 V N -0.323 119.491 119.914 -0.167 0.000 2.343 267 V HA -0.217 3.957 4.120 0.090 0.000 0.247 267 V C 2.495 178.520 176.094 -0.114 0.000 1.051 267 V CA 1.801 64.027 62.300 -0.124 0.000 1.036 267 V CB -0.662 31.086 31.823 -0.125 0.000 0.654 267 V HN 0.483 nan 8.190 nan 0.000 0.451 268 L N -0.239 120.912 121.223 -0.120 0.000 2.056 268 L HA -0.117 4.277 4.340 0.090 0.000 0.207 268 L C 2.557 179.443 176.870 0.028 0.000 1.078 268 L CA 2.223 57.011 54.840 -0.088 0.000 0.749 268 L CB -1.338 40.695 42.059 -0.044 0.000 0.901 268 L HN 0.350 nan 8.230 nan 0.000 0.433 269 T N -0.768 113.814 114.554 0.048 0.000 2.737 269 T HA -0.116 4.288 4.350 0.090 0.000 0.265 269 T C 1.852 176.621 174.700 0.115 0.000 1.038 269 T CA 0.782 62.960 62.100 0.130 0.000 1.144 269 T CB -0.187 68.713 68.868 0.054 0.000 0.866 269 T HN 0.024 nan 8.240 nan 0.000 0.434 270 L N 1.327 122.553 121.223 0.004 0.000 2.079 270 L HA 0.006 4.400 4.340 0.090 0.000 0.210 270 L C 2.477 179.369 176.870 0.038 0.000 1.081 270 L CA 1.543 56.386 54.840 0.005 0.000 0.752 270 L CB -0.970 41.066 42.059 -0.039 0.000 0.896 270 L HN 0.205 nan 8.230 nan 0.000 0.433 271 R N -1.043 119.473 120.500 0.026 0.000 2.120 271 R HA -0.066 4.328 4.340 0.090 0.000 0.234 271 R C 1.939 178.261 176.300 0.038 0.000 1.123 271 R CA 1.195 57.317 56.100 0.037 0.000 0.975 271 R CB -0.295 30.032 30.300 0.046 0.000 0.866 271 R HN 0.346 nan 8.270 nan 0.000 0.446 272 A N 0.058 122.905 122.820 0.043 0.000 2.218 272 A HA -0.007 4.367 4.320 0.090 0.000 0.209 272 A C 0.146 177.523 177.584 -0.346 0.000 1.168 272 A CA 0.429 52.419 52.037 -0.078 0.000 0.804 272 A CB 0.141 19.129 19.000 -0.019 0.000 0.834 272 A HN 0.265 nan 8.150 nan 0.000 0.482 273 H N -0.444 118.610 119.070 -0.027 0.000 2.439 273 H HA 0.222 4.832 4.556 0.089 0.000 0.228 273 H C 0.352 175.652 175.328 -0.047 0.000 1.423 273 H CA -0.556 55.459 56.048 -0.054 0.000 1.386 273 H CB 0.476 30.166 29.762 -0.120 0.000 1.641 273 H HN 0.225 nan 8.280 nan 0.000 0.508 274 R N 0.926 121.437 120.500 0.018 0.000 2.159 274 R HA -0.111 4.284 4.340 0.090 0.000 0.237 274 R C 1.143 177.452 176.300 0.015 0.000 1.131 274 R CA 1.248 57.356 56.100 0.013 0.000 0.982 274 R CB -0.104 30.196 30.300 -0.001 0.000 0.868 274 R HN 0.619 nan 8.270 nan 0.000 0.453 275 D N -0.222 120.190 120.400 0.021 0.000 2.144 275 D HA -0.094 4.600 4.640 0.090 0.000 0.200 275 D C 1.863 178.169 176.300 0.011 0.000 0.978 275 D CA 0.664 54.675 54.000 0.017 0.000 0.833 275 D CB -0.585 40.228 40.800 0.023 0.000 0.961 275 D HN 0.027 nan 8.370 nan 0.000 0.470 276 V N 0.525 120.445 119.914 0.010 0.000 2.379 276 V HA -0.136 4.038 4.120 0.090 0.000 0.245 276 V C 2.481 178.560 176.094 -0.025 0.000 1.044 276 V CA 1.116 63.400 62.300 -0.027 0.000 1.036 276 V CB -0.589 31.191 31.823 -0.072 0.000 0.664 276 V HN 0.162 nan 8.190 nan 0.000 0.453 277 L N 0.709 121.926 121.223 -0.010 0.000 2.012 277 L HA -0.177 4.217 4.340 0.090 0.000 0.210 277 L C 2.022 178.887 176.870 -0.009 0.000 1.073 277 L CA 2.146 56.978 54.840 -0.013 0.000 0.748 277 L CB -1.019 41.037 42.059 -0.005 0.000 0.891 277 L HN 0.300 nan 8.230 nan 0.000 0.431 278 D N -0.662 119.737 120.400 -0.003 0.000 2.183 278 D HA -0.157 4.537 4.640 0.090 0.000 0.203 278 D C 2.084 178.385 176.300 0.001 0.000 0.969 278 D CA 0.884 54.884 54.000 -0.001 0.000 0.842 278 D CB -0.030 40.772 40.800 0.003 0.000 0.957 278 D HN 0.505 nan 8.370 nan 0.000 0.484 279 E N 0.218 120.419 120.200 0.002 0.000 2.072 279 E HA -0.122 4.282 4.350 0.090 0.000 0.191 279 E C 2.076 178.678 176.600 0.003 0.000 0.985 279 E CA 0.359 56.764 56.400 0.007 0.000 0.801 279 E CB 0.030 29.736 29.700 0.009 0.000 0.750 279 E HN 0.138 nan 8.360 nan 0.000 0.452 280 L N 0.895 122.113 121.223 -0.008 0.000 2.093 280 L HA -0.124 4.271 4.340 0.090 0.000 0.208 280 L C 2.396 179.266 176.870 -0.001 0.000 1.085 280 L CA 1.382 56.217 54.840 -0.008 0.000 0.755 280 L CB -0.322 41.726 42.059 -0.018 0.000 0.904 280 L HN -0.011 nan 8.230 nan 0.000 0.435 281 R N -1.307 119.191 120.500 -0.003 0.000 2.148 281 R HA -0.110 4.284 4.340 0.090 0.000 0.227 281 R C 1.985 178.286 176.300 0.002 0.000 1.103 281 R CA 1.713 57.812 56.100 -0.002 0.000 0.983 281 R CB -0.391 29.906 30.300 -0.005 0.000 0.874 281 R HN 0.571 nan 8.270 nan 0.000 0.451 282 T N -4.021 110.536 114.554 0.006 0.000 3.040 282 T HA -0.018 4.386 4.350 0.090 0.000 0.252 282 T C 1.165 175.873 174.700 0.013 0.000 1.064 282 T CA 0.619 62.724 62.100 0.009 0.000 1.110 282 T CB 0.487 69.361 68.868 0.010 0.000 0.921 282 T HN 0.057 nan 8.240 nan 0.000 0.480 283 T N 3.379 117.942 114.554 0.016 0.000 3.241 283 T HA 0.396 4.801 4.350 0.090 0.000 0.387 283 T C -2.055 172.658 174.700 0.021 0.000 1.451 283 T CA -1.672 60.441 62.100 0.021 0.000 1.363 283 T CB 1.379 70.266 68.868 0.031 0.000 1.074 283 T HN -0.022 nan 8.240 nan 0.000 0.598 284 P HA -0.045 nan 4.420 nan 0.000 0.231 284 P C 0.807 178.121 177.300 0.024 0.000 1.158 284 P CA 0.782 63.894 63.100 0.019 0.000 0.763 284 P CB 0.336 32.047 31.700 0.018 0.000 0.805 285 E N -0.313 119.903 120.200 0.026 0.000 2.358 285 E HA -0.004 4.400 4.350 0.090 0.000 0.195 285 E C 1.704 178.324 176.600 0.034 0.000 1.010 285 E CA 0.418 56.836 56.400 0.030 0.000 0.856 285 E CB -0.147 29.572 29.700 0.032 0.000 0.795 285 E HN 0.237 nan 8.360 nan 0.000 0.504 286 S N 0.303 116.021 115.700 0.031 0.000 2.562 286 S HA -0.044 4.480 4.470 0.090 0.000 0.221 286 S C 1.824 176.429 174.600 0.007 0.000 0.975 286 S CA 0.516 58.729 58.200 0.021 0.000 0.918 286 S CB 0.014 63.219 63.200 0.008 0.000 0.772 286 S HN 0.287 nan 8.310 nan 0.000 0.531 287 T N 2.934 117.500 114.554 0.019 0.000 2.665 287 T HA -0.108 4.296 4.350 0.090 0.000 0.268 287 T C -0.660 174.061 174.700 0.035 0.000 1.035 287 T CA 1.416 63.533 62.100 0.029 0.000 1.151 287 T CB -1.581 67.309 68.868 0.037 0.000 0.862 287 T HN 0.372 nan 8.240 nan 0.000 0.438 288 P HA 0.047 nan 4.420 nan 0.000 0.217 288 P C 1.497 178.816 177.300 0.033 0.000 1.150 288 P CA 1.194 64.315 63.100 0.035 0.000 0.832 288 P CB -0.196 31.525 31.700 0.034 0.000 0.787 289 A N -0.338 122.494 122.820 0.020 0.000 1.968 289 A HA 0.038 4.412 4.320 0.090 0.000 0.217 289 A C 2.241 179.813 177.584 -0.022 0.000 1.169 289 A CA 1.606 53.645 52.037 0.003 0.000 0.638 289 A CB -1.423 17.572 19.000 -0.009 0.000 0.812 289 A HN 0.172 nan 8.150 nan 0.000 0.446 290 A N -0.331 122.475 122.820 -0.023 0.000 1.873 290 A HA 0.015 4.389 4.320 0.090 0.000 0.215 290 A C 2.198 179.807 177.584 0.042 0.000 1.186 290 A CA 1.682 53.702 52.037 -0.029 0.000 0.616 290 A CB -1.015 17.971 19.000 -0.023 0.000 0.823 290 A HN 0.346 nan 8.150 nan 0.000 0.442 291 V N 0.271 120.244 119.914 0.100 0.000 2.252 291 V HA -0.310 3.864 4.120 0.090 0.000 0.249 291 V C 2.655 178.818 176.094 0.115 0.000 1.056 291 V CA 2.639 65.050 62.300 0.185 0.000 1.022 291 V CB -0.809 31.059 31.823 0.075 0.000 0.641 291 V HN 0.745 nan 8.190 nan 0.000 0.445 292 E N 0.433 120.664 120.200 0.051 0.000 2.085 292 E HA -0.271 4.133 4.350 0.090 0.000 0.194 292 E C 2.066 178.674 176.600 0.014 0.000 0.994 292 E CA 1.919 58.338 56.400 0.032 0.000 0.801 292 E CB -0.287 29.441 29.700 0.046 0.000 0.743 292 E HN 0.651 nan 8.360 nan 0.000 0.453 293 E N -0.717 119.483 120.200 0.001 0.000 2.112 293 E HA -0.080 4.324 4.350 0.090 0.000 0.190 293 E C 1.748 178.338 176.600 -0.015 0.000 0.979 293 E CA 0.602 56.978 56.400 -0.039 0.000 0.814 293 E CB -0.347 29.300 29.700 -0.088 0.000 0.762 293 E HN 0.255 nan 8.360 nan 0.000 0.460 294 L N 0.372 121.615 121.223 0.034 0.000 2.083 294 L HA -0.073 4.322 4.340 0.090 0.000 0.209 294 L C 2.262 179.222 176.870 0.150 0.000 1.083 294 L CA 1.608 56.491 54.840 0.073 0.000 0.752 294 L CB -0.869 41.248 42.059 0.096 0.000 0.899 294 L HN 0.345 nan 8.230 nan 0.000 0.433 295 M N -1.420 118.278 119.600 0.163 0.000 2.132 295 M HA -0.206 4.328 4.480 0.090 0.000 0.263 295 M C 2.329 178.604 176.300 -0.043 0.000 1.065 295 M CA 1.372 56.703 55.300 0.052 0.000 1.122 295 M CB -0.663 31.863 32.600 -0.123 0.000 1.365 295 M HN 0.255 nan 8.290 nan 0.000 0.411 296 R N -0.331 120.121 120.500 -0.080 0.000 2.073 296 R HA -0.176 4.218 4.340 0.090 0.000 0.229 296 R C 2.230 178.420 176.300 -0.183 0.000 1.120 296 R CA 1.283 57.261 56.100 -0.203 0.000 0.967 296 R CB -0.438 29.650 30.300 -0.353 0.000 0.862 296 R HN 0.257 nan 8.270 nan 0.000 0.436 297 Y N 0.788 120.947 120.300 -0.236 0.000 2.097 297 Y HA -0.198 4.407 4.550 0.091 0.000 0.282 297 Y C 0.218 175.968 175.900 -0.250 0.000 1.152 297 Y CA 2.094 60.036 58.100 -0.264 0.000 1.136 297 Y CB 0.133 38.457 38.460 -0.226 0.000 0.975 297 Y HN 0.091 nan 8.280 nan 0.000 0.498 298 D N 0.222 120.592 120.400 -0.049 0.000 2.586 298 D HA 0.212 4.906 4.640 0.090 0.000 0.254 298 D C -3.009 173.366 176.300 0.125 0.000 1.248 298 D CA -2.064 51.961 54.000 0.042 0.000 0.843 298 D CB 0.677 41.550 40.800 0.122 0.000 1.332 298 D HN -0.024 nan 8.370 nan 0.000 0.523 299 P HA 0.119 nan 4.420 nan 0.000 0.265 299 P C -2.045 175.314 177.300 0.099 0.000 1.193 299 P CA -0.952 62.181 63.100 0.056 0.000 0.765 299 P CB 1.206 32.906 31.700 0.000 0.000 0.823 300 P HA -0.078 nan 4.420 nan 0.000 0.220 300 P C 0.121 177.487 177.300 0.111 0.000 1.148 300 P CA 1.169 64.331 63.100 0.103 0.000 0.803 300 P CB 0.211 31.934 31.700 0.039 0.000 0.782 301 V N 1.315 121.271 119.914 0.071 0.000 2.313 301 V HA 0.142 4.316 4.120 0.090 0.000 0.278 301 V C 1.074 177.202 176.094 0.057 0.000 1.017 301 V CA -0.273 62.097 62.300 0.117 0.000 0.823 301 V CB 1.346 33.231 31.823 0.104 0.000 1.010 301 V HN -0.041 nan 8.190 nan 0.000 0.443 302 Q N 2.895 122.725 119.800 0.051 0.000 2.269 302 Q HA 0.286 4.680 4.340 0.090 0.000 0.201 302 Q C 0.685 176.644 176.000 -0.068 0.000 0.946 302 Q CA 0.797 56.577 55.803 -0.039 0.000 0.877 302 Q CB 0.913 29.599 28.738 -0.088 0.000 0.963 302 Q HN 0.844 nan 8.270 nan 0.000 0.472 303 A N 0.312 123.119 122.820 -0.023 0.000 2.517 303 A HA 0.575 4.949 4.320 0.090 0.000 0.297 303 A C -0.860 176.718 177.584 -0.010 0.000 1.050 303 A CA -0.669 51.342 52.037 -0.043 0.000 0.694 303 A CB 1.538 20.516 19.000 -0.037 0.000 1.277 303 A HN -0.006 nan 8.150 nan 0.000 0.400 304 V N -0.245 119.650 119.914 -0.031 0.000 2.823 304 V HA 0.963 5.137 4.120 0.090 0.000 0.312 304 V C -0.081 175.981 176.094 -0.053 0.000 1.072 304 V CA 0.003 62.297 62.300 -0.010 0.000 0.937 304 V CB 1.333 33.153 31.823 -0.006 0.000 1.013 304 V HN 1.501 nan 8.190 nan 0.000 0.430 305 T N 1.597 116.132 114.554 -0.032 0.000 2.940 305 T HA 0.885 5.290 4.350 0.090 0.000 0.288 305 T C -0.402 174.222 174.700 -0.127 0.000 1.033 305 T CA -0.848 61.170 62.100 -0.135 0.000 1.033 305 T CB 2.122 70.885 68.868 -0.176 0.000 1.079 305 T HN 0.898 nan 8.240 nan 0.000 0.496 306 R N 0.075 120.408 120.500 -0.277 0.000 2.764 306 R HA 0.474 4.868 4.340 0.090 0.000 0.270 306 R C -1.899 174.154 176.300 -0.412 0.000 1.014 306 R CA -0.669 55.313 56.100 -0.197 0.000 0.904 306 R CB 1.660 31.870 30.300 -0.150 0.000 1.236 306 R HN 0.818 nan 8.270 nan 0.000 0.466 307 W N -0.191 121.063 121.300 -0.076 0.000 2.785 307 W HA 0.641 5.355 4.660 0.090 0.000 0.333 307 W C -0.172 176.331 176.519 -0.026 0.000 1.062 307 W CA -0.677 56.668 57.345 0.001 0.000 1.233 307 W CB 1.921 31.459 29.460 0.130 0.000 1.413 307 W HN 0.674 nan 8.180 nan 0.000 0.489 308 A N 2.804 125.769 122.820 0.241 0.000 2.396 308 A HA 0.247 4.622 4.320 0.090 0.000 0.279 308 A C -0.165 177.646 177.584 0.378 0.000 1.165 308 A CA -0.104 52.034 52.037 0.169 0.000 0.824 308 A CB 0.046 19.088 19.000 0.069 0.000 1.100 308 A HN 0.742 nan 8.150 nan 0.000 0.516 309 Y N 1.248 121.594 120.300 0.077 0.000 2.519 309 Y HA 0.078 4.682 4.550 0.091 0.000 0.287 309 Y C 1.133 177.054 175.900 0.035 0.000 1.128 309 Y CA 0.821 58.956 58.100 0.058 0.000 1.282 309 Y CB 0.014 38.504 38.460 0.050 0.000 1.027 309 Y HN 0.818 nan 8.280 nan 0.000 0.551 310 E N -1.597 118.713 120.200 0.185 0.000 2.430 310 E HA 0.215 4.619 4.350 0.090 0.000 0.279 310 E C -1.526 175.107 176.600 0.055 0.000 1.003 310 E CA -0.953 55.505 56.400 0.097 0.000 0.801 310 E CB 1.121 30.869 29.700 0.080 0.000 1.313 310 E HN -0.213 nan 8.360 nan 0.000 0.459 311 D N 1.071 121.490 120.400 0.031 0.000 2.525 311 D HA 0.156 4.850 4.640 0.090 0.000 0.235 311 D C -0.241 176.050 176.300 -0.015 0.000 1.137 311 D CA 0.542 54.544 54.000 0.003 0.000 0.868 311 D CB 0.675 41.477 40.800 0.004 0.000 1.180 311 D HN 0.309 nan 8.370 nan 0.000 0.465 312 I N 1.607 122.147 120.570 -0.050 0.000 2.692 312 I HA 0.173 4.397 4.170 0.090 0.000 0.293 312 I C -1.060 175.007 176.117 -0.083 0.000 1.200 312 I CA -0.647 60.617 61.300 -0.060 0.000 1.036 312 I CB 2.158 40.117 38.000 -0.068 0.000 1.258 312 I HN 0.168 nan 8.210 nan 0.000 0.421 313 R N 7.477 127.943 120.500 -0.056 0.000 2.229 313 R HA 0.626 5.021 4.340 0.090 0.000 0.328 313 R C -1.808 174.467 176.300 -0.042 0.000 1.009 313 R CA -0.473 55.599 56.100 -0.047 0.000 0.864 313 R CB 0.733 31.017 30.300 -0.026 0.000 1.085 313 R HN 0.660 nan 8.270 nan 0.000 0.453 314 L N 3.555 124.758 121.223 -0.034 0.000 2.436 314 L HA 0.372 4.766 4.340 0.090 0.000 0.268 314 L C 0.848 177.745 176.870 0.044 0.000 0.974 314 L CA -0.199 54.635 54.840 -0.010 0.000 0.826 314 L CB 2.073 44.111 42.059 -0.035 0.000 1.291 314 L HN 0.938 nan 8.230 nan 0.000 0.406 315 G N 2.847 111.670 108.800 0.039 0.000 2.611 315 G HA2 -0.314 3.700 3.960 0.090 0.000 0.301 315 G HA3 -0.314 3.700 3.960 0.090 0.000 0.301 315 G C 0.317 175.228 174.900 0.019 0.000 1.233 315 G CA 0.494 45.626 45.100 0.053 0.000 0.993 315 G HN 0.721 nan 8.290 nan 0.000 0.553 316 D N 1.332 121.727 120.400 -0.009 0.000 2.340 316 D HA 0.112 4.807 4.640 0.090 0.000 0.220 316 D C 0.658 176.775 176.300 -0.305 0.000 1.039 316 D CA 0.613 54.513 54.000 -0.167 0.000 0.866 316 D CB -0.037 40.610 40.800 -0.256 0.000 0.913 316 D HN 0.510 nan 8.370 nan 0.000 0.523 317 H N 0.389 119.476 119.070 0.029 0.000 2.573 317 H HA 0.239 4.849 4.556 0.090 0.000 0.351 317 H C -0.677 174.622 175.328 -0.050 0.000 1.163 317 H CA -0.497 55.576 56.048 0.042 0.000 1.205 317 H CB 2.089 31.950 29.762 0.165 0.000 1.605 317 H HN -0.137 nan 8.280 nan 0.000 0.525 318 D N 2.734 123.179 120.400 0.076 0.000 2.473 318 D HA 0.200 4.894 4.640 0.090 0.000 0.226 318 D C -0.281 175.959 176.300 -0.100 0.000 1.089 318 D CA -0.465 53.526 54.000 -0.015 0.000 0.883 318 D CB -0.064 40.745 40.800 0.015 0.000 1.029 318 D HN 0.354 nan 8.370 nan 0.000 0.517 319 I N 5.341 125.745 120.570 -0.276 0.000 2.421 319 I HA 0.168 4.392 4.170 0.090 0.000 0.291 319 I C -1.851 174.157 176.117 -0.182 0.000 1.089 319 I CA -1.604 59.408 61.300 -0.481 0.000 1.354 319 I CB 0.758 38.352 38.000 -0.677 0.000 1.413 319 I HN 0.158 nan 8.210 nan 0.000 0.513 320 P HA 0.033 nan 4.420 nan 0.000 0.270 320 P C -0.318 177.008 177.300 0.043 0.000 1.223 320 P CA -0.481 62.632 63.100 0.021 0.000 0.785 320 P CB 0.461 32.207 31.700 0.076 0.000 0.923 321 R N 1.476 122.013 120.500 0.062 0.000 2.570 321 R HA 0.270 4.664 4.340 0.090 0.000 0.277 321 R C 0.976 177.353 176.300 0.128 0.000 1.039 321 R CA 1.154 57.311 56.100 0.096 0.000 1.065 321 R CB -0.838 29.508 30.300 0.076 0.000 0.964 321 R HN 0.832 nan 8.270 nan 0.000 0.428 322 G N 2.116 111.034 108.800 0.197 0.000 2.175 322 G HA2 -0.239 3.775 3.960 0.090 0.000 0.244 322 G HA3 -0.239 3.775 3.960 0.090 0.000 0.244 322 G C -0.338 174.782 174.900 0.367 0.000 0.982 322 G CA 0.175 45.422 45.100 0.246 0.000 0.641 322 G HN 0.611 nan 8.290 nan 0.000 0.527 323 S N 0.090 115.958 115.700 0.280 0.000 2.554 323 S HA 0.602 5.127 4.470 0.090 0.000 0.278 323 S C 0.509 175.122 174.600 0.022 0.000 1.242 323 S CA -0.570 57.758 58.200 0.214 0.000 1.051 323 S CB 1.799 65.107 63.200 0.180 0.000 0.986 323 S HN 0.598 nan 8.310 nan 0.000 0.502 324 R N 1.566 121.870 120.500 -0.326 0.000 2.490 324 R HA 0.518 4.912 4.340 0.090 0.000 0.278 324 R C -1.429 174.548 176.300 -0.538 0.000 1.069 324 R CA -0.241 55.237 56.100 -1.036 0.000 1.080 324 R CB 0.428 29.958 30.300 -1.284 0.000 1.030 324 R HN 0.443 nan 8.270 nan 0.000 0.491 325 V N 4.628 124.198 119.914 -0.573 0.000 2.577 325 V HA 0.324 4.499 4.120 0.090 0.000 0.303 325 V C -0.774 175.090 176.094 -0.383 0.000 1.042 325 V CA -0.840 61.242 62.300 -0.364 0.000 0.872 325 V CB 1.951 33.624 31.823 -0.251 0.000 0.998 325 V HN 0.507 nan 8.190 nan 0.000 0.423 326 V N 3.958 123.639 119.914 -0.388 0.000 2.357 326 V HA 0.705 4.879 4.120 0.090 0.000 0.284 326 V C 0.473 176.445 176.094 -0.204 0.000 1.018 326 V CA -0.516 61.607 62.300 -0.296 0.000 0.841 326 V CB 1.719 33.351 31.823 -0.318 0.000 0.991 326 V HN 0.986 nan 8.190 nan 0.000 0.437 327 A N 6.171 128.890 122.820 -0.167 0.000 2.269 327 A HA 0.662 5.036 4.320 0.090 0.000 0.302 327 A C -0.486 176.984 177.584 -0.188 0.000 1.266 327 A CA -0.421 51.518 52.037 -0.164 0.000 0.894 327 A CB 0.130 19.056 19.000 -0.124 0.000 1.147 327 A HN 0.632 nan 8.150 nan 0.000 0.537 328 L N 4.562 125.609 121.223 -0.294 0.000 2.375 328 L HA 0.124 4.519 4.340 0.090 0.000 0.276 328 L C 1.160 177.841 176.870 -0.315 0.000 1.162 328 L CA -0.023 54.575 54.840 -0.403 0.000 0.991 328 L CB -0.166 41.435 42.059 -0.762 0.000 1.315 328 L HN 0.722 nan 8.230 nan 0.000 0.431 329 L N 2.550 123.658 121.223 -0.191 0.000 2.013 329 L HA -0.144 4.250 4.340 0.090 0.000 0.212 329 L C 2.343 179.161 176.870 -0.086 0.000 1.073 329 L CA 2.079 56.859 54.840 -0.100 0.000 0.753 329 L CB -1.324 40.702 42.059 -0.055 0.000 0.890 329 L HN 0.690 nan 8.230 nan 0.000 0.432 330 G N -2.285 106.432 108.800 -0.137 0.000 2.422 330 G HA2 -0.289 3.725 3.960 0.090 0.000 0.218 330 G HA3 -0.289 3.725 3.960 0.090 0.000 0.218 330 G C 1.882 176.806 174.900 0.040 0.000 1.146 330 G CA 1.099 46.216 45.100 0.029 0.000 0.769 330 G HN 0.436 nan 8.290 nan 0.000 0.547 331 S N 0.495 115.957 115.700 -0.396 0.000 2.387 331 S HA 0.152 4.677 4.470 0.090 0.000 0.226 331 S C 2.701 177.342 174.600 0.068 0.000 1.026 331 S CA 1.399 59.486 58.200 -0.188 0.000 0.972 331 S CB -0.375 62.555 63.200 -0.451 0.000 0.814 331 S HN 0.513 nan 8.310 nan 0.000 0.477 332 A N 1.835 124.681 122.820 0.043 0.000 1.930 332 A HA -0.032 4.342 4.320 0.090 0.000 0.217 332 A C 1.850 179.664 177.584 0.383 0.000 1.175 332 A CA 1.558 53.731 52.037 0.227 0.000 0.627 332 A CB -0.708 18.386 19.000 0.156 0.000 0.815 332 A HN 0.578 nan 8.150 nan 0.000 0.443 333 N N -0.406 118.409 118.700 0.192 0.000 2.550 333 N HA -0.005 4.789 4.740 0.090 0.000 0.186 333 N C 0.905 176.322 175.510 -0.155 0.000 1.110 333 N CA 0.529 53.561 53.050 -0.030 0.000 0.912 333 N CB -0.040 38.360 38.487 -0.144 0.000 0.968 333 N HN 0.443 nan 8.380 nan 0.000 0.448 334 R N -0.004 120.545 120.500 0.080 0.000 2.629 334 R HA 0.105 4.499 4.340 0.090 0.000 0.386 334 R C -0.651 175.773 176.300 0.207 0.000 1.071 334 R CA -0.290 55.856 56.100 0.077 0.000 1.104 334 R CB 0.496 30.819 30.300 0.038 0.000 1.370 334 R HN 0.021 nan 8.270 nan 0.000 0.574 335 D N 2.476 123.056 120.400 0.301 0.000 2.336 335 D HA 0.065 4.759 4.640 0.090 0.000 0.249 335 D C -1.258 175.169 176.300 0.212 0.000 1.213 335 D CA -2.180 51.974 54.000 0.257 0.000 0.870 335 D CB 1.582 42.550 40.800 0.280 0.000 1.076 335 D HN -0.003 nan 8.370 nan 0.000 0.483 336 P HA -0.141 nan 4.420 nan 0.000 0.221 336 P C 0.920 178.246 177.300 0.042 0.000 1.145 336 P CA 0.652 63.814 63.100 0.103 0.000 0.795 336 P CB 0.248 32.000 31.700 0.087 0.000 0.775 337 A N -0.320 122.519 122.820 0.032 0.000 2.066 337 A HA -0.105 4.269 4.320 0.090 0.000 0.218 337 A C 2.398 179.912 177.584 -0.116 0.000 1.157 337 A CA 1.405 53.434 52.037 -0.013 0.000 0.670 337 A CB -0.735 18.279 19.000 0.023 0.000 0.804 337 A HN 0.087 nan 8.150 nan 0.000 0.453 338 R N -2.051 118.317 120.500 -0.220 0.000 2.191 338 R HA 0.287 4.682 4.340 0.090 0.000 0.196 338 R C -0.923 174.897 176.300 -0.801 0.000 0.991 338 R CA 0.492 56.212 56.100 -0.633 0.000 1.075 338 R CB 0.140 29.788 30.300 -1.086 0.000 1.040 338 R HN 0.296 nan 8.270 nan 0.000 0.526 339 F N 1.838 121.720 119.950 -0.113 0.000 2.434 339 F HA 0.488 5.071 4.527 0.093 0.000 0.367 339 F C -2.175 173.609 175.800 -0.026 0.000 1.093 339 F CA -3.023 54.934 58.000 -0.071 0.000 1.085 339 F CB 1.616 40.579 39.000 -0.062 0.000 1.322 339 F HN -0.141 nan 8.300 nan 0.000 0.452 340 P HA 0.005 nan 4.420 nan 0.000 0.266 340 P C -0.327 177.030 177.300 0.095 0.000 1.195 340 P CA 0.366 63.511 63.100 0.075 0.000 0.768 340 P CB 0.424 32.150 31.700 0.043 0.000 0.838 341 D N 2.023 122.470 120.400 0.079 0.000 2.735 341 D HA -0.142 4.552 4.640 0.090 0.000 0.235 341 D C -1.124 175.229 176.300 0.089 0.000 1.175 341 D CA 0.341 54.387 54.000 0.076 0.000 0.683 341 D CB -0.742 40.097 40.800 0.065 0.000 1.008 341 D HN 0.394 nan 8.370 nan 0.000 0.416 342 P HA -0.175 nan 4.420 nan 0.000 0.218 342 P C 0.839 178.162 177.300 0.039 0.000 1.148 342 P CA 1.132 64.280 63.100 0.080 0.000 0.822 342 P CB 0.332 32.092 31.700 0.100 0.000 0.784 343 D N -0.609 119.829 120.400 0.063 0.000 2.349 343 D HA 0.039 4.733 4.640 0.090 0.000 0.224 343 D C 0.465 176.895 176.300 0.216 0.000 1.029 343 D CA 0.233 54.288 54.000 0.091 0.000 0.879 343 D CB -0.100 40.750 40.800 0.083 0.000 0.906 343 D HN 0.078 nan 8.370 nan 0.000 0.528 344 V N 1.767 121.767 119.914 0.143 0.000 2.432 344 V HA 0.110 4.284 4.120 0.090 0.000 0.275 344 V C 0.082 176.167 176.094 -0.014 0.000 1.043 344 V CA -0.868 61.486 62.300 0.091 0.000 0.925 344 V CB 1.662 33.521 31.823 0.060 0.000 0.985 344 V HN -0.016 nan 8.190 nan 0.000 0.466 345 L N 5.490 126.560 121.223 -0.255 0.000 2.363 345 L HA 0.433 4.827 4.340 0.090 0.000 0.286 345 L C -0.295 176.401 176.870 -0.290 0.000 1.106 345 L CA 0.449 54.953 54.840 -0.560 0.000 0.859 345 L CB 0.282 41.609 42.059 -1.219 0.000 1.223 345 L HN 0.703 nan 8.230 nan 0.000 0.446 346 D N 3.208 123.501 120.400 -0.178 0.000 2.454 346 D HA 0.132 4.826 4.640 0.090 0.000 0.247 346 D C 0.772 176.993 176.300 -0.133 0.000 1.129 346 D CA -0.409 53.527 54.000 -0.106 0.000 0.877 346 D CB 1.471 42.261 40.800 -0.016 0.000 1.082 346 D HN 0.309 nan 8.370 nan 0.000 0.537 347 V N 2.265 122.038 119.914 -0.235 0.000 3.510 347 V HA 0.093 4.267 4.120 0.090 0.000 0.270 347 V C 0.603 176.495 176.094 -0.336 0.000 1.201 347 V CA 0.887 63.014 62.300 -0.288 0.000 1.166 347 V CB -0.712 30.907 31.823 -0.340 0.000 0.825 347 V HN 0.528 nan 8.190 nan 0.000 0.484 348 H N 1.045 120.112 119.070 -0.006 0.000 2.755 348 H HA 0.304 4.917 4.556 0.094 0.000 0.273 348 H C 1.293 176.632 175.328 0.018 0.000 1.055 348 H CA 0.083 56.135 56.048 0.007 0.000 1.191 348 H CB 0.445 30.210 29.762 0.005 0.000 1.536 348 H HN 0.668 nan 8.280 nan 0.000 0.529 349 R N 0.892 121.452 120.500 0.100 0.000 2.707 349 R HA 0.467 4.861 4.340 0.090 0.000 0.270 349 R C -0.094 176.263 176.300 0.095 0.000 1.083 349 R CA -0.233 55.924 56.100 0.096 0.000 1.182 349 R CB 0.644 31.000 30.300 0.093 0.000 1.084 349 R HN -0.052 nan 8.270 nan 0.000 0.528 350 A N 1.203 124.083 122.820 0.100 0.000 2.347 350 A HA 0.493 4.867 4.320 0.090 0.000 0.287 350 A C 0.449 178.127 177.584 0.157 0.000 1.199 350 A CA -0.046 52.050 52.037 0.098 0.000 0.851 350 A CB 0.418 19.457 19.000 0.065 0.000 1.118 350 A HN 0.922 nan 8.150 nan 0.000 0.525 351 A N 2.518 125.426 122.820 0.148 0.000 2.551 351 A HA 0.273 4.647 4.320 0.090 0.000 0.252 351 A C 1.334 179.029 177.584 0.187 0.000 1.199 351 A CA 0.490 52.645 52.037 0.195 0.000 0.972 351 A CB 0.026 19.071 19.000 0.074 0.000 1.153 351 A HN 0.798 nan 8.150 nan 0.000 0.559 352 E N 0.719 121.012 120.200 0.155 0.000 2.396 352 E HA -0.226 4.178 4.350 0.090 0.000 0.200 352 E C 1.485 178.206 176.600 0.202 0.000 1.023 352 E CA 0.940 57.433 56.400 0.156 0.000 0.857 352 E CB -0.303 29.468 29.700 0.118 0.000 0.775 352 E HN 0.379 nan 8.360 nan 0.000 0.525 353 R N 1.585 122.230 120.500 0.240 0.000 2.115 353 R HA -0.085 4.309 4.340 0.090 0.000 0.226 353 R C 0.617 177.200 176.300 0.472 0.000 1.100 353 R CA 1.115 57.389 56.100 0.291 0.000 0.980 353 R CB -0.644 29.726 30.300 0.117 0.000 0.875 353 R HN 0.401 nan 8.270 nan 0.000 0.445 354 Q N -0.013 120.050 119.800 0.439 0.000 2.310 354 Q HA -0.026 4.368 4.340 0.090 0.000 0.315 354 Q C 0.488 176.655 176.000 0.278 0.000 1.081 354 Q CA 0.578 56.569 55.803 0.313 0.000 0.981 354 Q CB 0.583 29.325 28.738 0.007 0.000 1.184 354 Q HN 0.095 nan 8.270 nan 0.000 0.389 355 V N 0.353 120.424 119.914 0.262 0.000 3.331 355 V HA 0.370 4.545 4.120 0.090 0.000 0.332 355 V C 1.214 177.347 176.094 0.064 0.000 1.341 355 V CA 0.430 62.837 62.300 0.178 0.000 1.218 355 V CB -0.473 31.425 31.823 0.124 0.000 1.152 355 V HN 0.871 nan 8.190 nan 0.000 0.445 356 G N 0.172 108.951 108.800 -0.035 0.000 2.498 356 G HA2 -0.142 3.872 3.960 0.090 0.000 0.219 356 G HA3 -0.142 3.872 3.960 0.090 0.000 0.219 356 G C 0.847 175.608 174.900 -0.231 0.000 1.119 356 G CA 0.755 45.750 45.100 -0.174 0.000 0.766 356 G HN 0.574 nan 8.290 nan 0.000 0.552 357 F N 0.893 120.798 119.950 -0.075 0.000 2.664 357 F HA 0.417 4.994 4.527 0.083 0.000 0.303 357 F C 1.614 177.218 175.800 -0.325 0.000 1.092 357 F CA -0.246 57.587 58.000 -0.278 0.000 1.305 357 F CB 0.254 38.991 39.000 -0.438 0.000 1.054 357 F HN 0.342 nan 8.300 nan 0.000 0.565 358 G N 0.884 109.726 108.800 0.070 0.000 2.632 358 G HA2 -0.134 3.880 3.960 0.090 0.000 0.224 358 G HA3 -0.134 3.880 3.960 0.090 0.000 0.224 358 G C -1.269 173.795 174.900 0.274 0.000 1.341 358 G CA -0.276 44.883 45.100 0.099 0.000 0.880 358 G HN 0.428 nan 8.290 nan 0.000 0.566 359 L N -1.037 120.345 121.223 0.266 0.000 2.794 359 L HA 0.667 5.061 4.340 0.090 0.000 0.261 359 L C 0.743 177.714 176.870 0.168 0.000 0.989 359 L CA 0.771 55.773 54.840 0.270 0.000 0.900 359 L CB 1.553 43.689 42.059 0.128 0.000 1.473 359 L HN 3.057 nan 8.230 nan 0.000 0.414 360 G N 1.724 110.584 108.800 0.101 0.000 2.568 360 G HA2 -0.243 3.771 3.960 0.090 0.000 0.222 360 G HA3 -0.243 3.771 3.960 0.090 0.000 0.222 360 G C 0.492 175.414 174.900 0.036 0.000 1.321 360 G CA 0.171 45.295 45.100 0.040 0.000 0.893 360 G HN 1.597 nan 8.290 nan 0.000 0.569 361 I N -2.676 117.857 120.570 -0.061 0.000 2.614 361 I HA 0.113 4.338 4.170 0.090 0.000 0.258 361 I C 1.799 177.824 176.117 -0.152 0.000 1.189 361 I CA 2.068 63.286 61.300 -0.137 0.000 1.462 361 I CB -0.284 37.534 38.000 -0.304 0.000 1.092 361 I HN 0.464 nan 8.210 nan 0.000 0.442 362 H N -0.602 118.501 119.070 0.056 0.000 2.517 362 H HA 0.174 4.783 4.556 0.090 0.000 0.282 362 H C -0.230 175.154 175.328 0.094 0.000 1.023 362 H CA -0.509 55.588 56.048 0.081 0.000 1.169 362 H CB -0.157 29.608 29.762 0.004 0.000 1.454 362 H HN 0.367 nan 8.280 nan 0.000 0.556 363 Y N 1.273 121.621 120.300 0.079 0.000 2.895 363 Y HA -0.173 4.431 4.550 0.090 0.000 0.334 363 Y C 0.585 176.491 175.900 0.011 0.000 1.261 363 Y CA -0.828 57.301 58.100 0.048 0.000 1.560 363 Y CB 0.074 38.543 38.460 0.015 0.000 1.253 363 Y HN 0.323 nan 8.280 nan 0.000 0.582 364 C N 8.762 127.701 119.300 -0.602 0.000 2.106 364 C HA -0.137 4.377 4.460 0.090 0.000 0.402 364 C C 1.829 176.576 174.990 -0.405 0.000 1.548 364 C CA 0.157 58.880 59.018 -0.491 0.000 1.432 364 C CB -1.976 25.429 27.740 -0.559 0.000 2.584 364 C HN 1.078 nan 8.230 nan 0.000 0.604 365 L N 5.809 126.858 121.223 -0.290 0.000 2.141 365 L HA 0.174 4.569 4.340 0.090 0.000 0.209 365 L C 2.096 178.719 176.870 -0.412 0.000 1.094 365 L CA 2.402 57.072 54.840 -0.282 0.000 0.763 365 L CB -0.297 41.566 42.059 -0.326 0.000 0.908 365 L HN 0.885 nan 8.230 nan 0.000 0.437 366 G N -2.177 106.311 108.800 -0.520 0.000 3.707 366 G HA2 0.314 4.328 3.960 0.090 0.000 0.286 366 G HA3 0.314 4.328 3.960 0.090 0.000 0.286 366 G C 1.325 175.964 174.900 -0.434 0.000 1.112 366 G CA 0.350 45.149 45.100 -0.501 0.000 0.861 366 G HN 0.484 nan 8.290 nan 0.000 0.534 367 A N 0.690 123.160 122.820 -0.582 0.000 1.903 367 A HA -0.140 4.234 4.320 0.090 0.000 0.219 367 A C 2.487 179.737 177.584 -0.558 0.000 1.191 367 A CA 2.612 54.059 52.037 -0.982 0.000 0.638 367 A CB -0.838 17.559 19.000 -1.004 0.000 0.823 367 A HN 0.290 nan 8.150 nan 0.000 0.451 368 T N -0.285 114.103 114.554 -0.275 0.000 2.867 368 T HA -0.094 4.310 4.350 0.090 0.000 0.268 368 T C 1.790 176.431 174.700 -0.097 0.000 1.057 368 T CA 1.379 63.399 62.100 -0.134 0.000 1.136 368 T CB -0.287 68.547 68.868 -0.057 0.000 0.874 368 T HN 0.328 nan 8.240 nan 0.000 0.466 369 L N 1.551 122.717 121.223 -0.095 0.000 2.072 369 L HA 0.222 4.617 4.340 0.090 0.000 0.205 369 L C 2.598 179.422 176.870 -0.078 0.000 1.079 369 L CA 1.706 56.520 54.840 -0.042 0.000 0.752 369 L CB -1.179 40.892 42.059 0.019 0.000 0.906 369 L HN 0.195 nan 8.230 nan 0.000 0.436 370 A N -0.287 122.450 122.820 -0.138 0.000 1.883 370 A HA -0.269 4.106 4.320 0.090 0.000 0.217 370 A C 2.565 180.104 177.584 -0.075 0.000 1.186 370 A CA 1.960 53.938 52.037 -0.097 0.000 0.624 370 A CB -0.689 18.282 19.000 -0.048 0.000 0.822 370 A HN 0.493 nan 8.150 nan 0.000 0.444 371 R N -0.648 119.821 120.500 -0.051 0.000 2.081 371 R HA -0.106 4.288 4.340 0.090 0.000 0.235 371 R C 2.352 178.624 176.300 -0.048 0.000 1.131 371 R CA 1.350 57.432 56.100 -0.029 0.000 0.960 371 R CB -0.369 29.938 30.300 0.012 0.000 0.856 371 R HN 0.486 nan 8.270 nan 0.000 0.436 372 A N 0.941 123.739 122.820 -0.037 0.000 1.902 372 A HA -0.177 4.197 4.320 0.090 0.000 0.217 372 A C 1.824 179.400 177.584 -0.013 0.000 1.181 372 A CA 1.556 53.583 52.037 -0.017 0.000 0.623 372 A CB -0.353 18.640 19.000 -0.012 0.000 0.818 372 A HN 0.467 nan 8.150 nan 0.000 0.443 373 E N -0.175 120.007 120.200 -0.029 0.000 2.152 373 E HA -0.022 4.382 4.350 0.090 0.000 0.192 373 E C 2.252 178.856 176.600 0.007 0.000 0.983 373 E CA 0.699 57.089 56.400 -0.016 0.000 0.818 373 E CB -0.249 29.431 29.700 -0.033 0.000 0.758 373 E HN 0.626 nan 8.360 nan 0.000 0.467 374 A N 2.266 125.047 122.820 -0.065 0.000 1.841 374 A HA -0.242 4.132 4.320 0.090 0.000 0.214 374 A C 2.088 179.734 177.584 0.103 0.000 1.195 374 A CA 1.636 53.625 52.037 -0.079 0.000 0.611 374 A CB -0.473 18.159 19.000 -0.613 0.000 0.835 374 A HN 0.288 nan 8.150 nan 0.000 0.443 375 E N -0.059 120.167 120.200 0.044 0.000 2.028 375 E HA -0.133 4.271 4.350 0.090 0.000 0.191 375 E C 1.948 178.601 176.600 0.088 0.000 0.988 375 E CA 1.276 57.723 56.400 0.079 0.000 0.799 375 E CB -0.510 29.217 29.700 0.046 0.000 0.755 375 E HN 0.609 nan 8.360 nan 0.000 0.447 376 I N 1.982 122.593 120.570 0.069 0.000 2.264 376 I HA -0.189 4.035 4.170 0.090 0.000 0.248 376 I C 2.602 178.794 176.117 0.126 0.000 1.111 376 I CA 1.302 62.648 61.300 0.076 0.000 1.382 376 I CB -0.638 37.394 38.000 0.053 0.000 1.060 376 I HN 0.237 nan 8.210 nan 0.000 0.418 377 G N 1.398 110.290 108.800 0.154 0.000 2.453 377 G HA2 -0.257 3.757 3.960 0.090 0.000 0.215 377 G HA3 -0.257 3.757 3.960 0.090 0.000 0.215 377 G C 1.678 176.755 174.900 0.295 0.000 1.201 377 G CA 0.820 46.079 45.100 0.265 0.000 0.784 377 G HN 0.468 nan 8.290 nan 0.000 0.545 378 L N -0.690 120.674 121.223 0.235 0.000 2.465 378 L HA 0.250 4.644 4.340 0.090 0.000 0.224 378 L C 2.560 179.479 176.870 0.081 0.000 1.145 378 L CA 0.701 55.632 54.840 0.153 0.000 0.834 378 L CB -0.045 42.110 42.059 0.161 0.000 0.944 378 L HN -0.025 nan 8.230 nan 0.000 0.451 379 R N 0.723 121.278 120.500 0.092 0.000 2.062 379 R HA 0.025 4.419 4.340 0.090 0.000 0.229 379 R C 2.356 178.677 176.300 0.035 0.000 1.128 379 R CA 1.428 57.561 56.100 0.055 0.000 0.960 379 R CB -0.838 29.498 30.300 0.059 0.000 0.855 379 R HN 0.565 nan 8.270 nan 0.000 0.432 380 A N 1.238 124.097 122.820 0.065 0.000 1.883 380 A HA -0.164 4.210 4.320 0.090 0.000 0.217 380 A C 2.407 179.941 177.584 -0.083 0.000 1.186 380 A CA 1.376 53.435 52.037 0.037 0.000 0.624 380 A CB -0.701 18.396 19.000 0.161 0.000 0.822 380 A HN 0.242 nan 8.150 nan 0.000 0.444 381 L N -1.175 119.960 121.223 -0.148 0.000 2.017 381 L HA -0.177 4.217 4.340 0.090 0.000 0.208 381 L C 2.461 179.255 176.870 -0.127 0.000 1.073 381 L CA 0.694 55.388 54.840 -0.243 0.000 0.745 381 L CB -0.515 41.401 42.059 -0.238 0.000 0.894 381 L HN 0.275 nan 8.230 nan 0.000 0.432 382 L N -0.357 120.826 121.223 -0.066 0.000 2.046 382 L HA -0.219 4.176 4.340 0.090 0.000 0.208 382 L C 2.146 178.994 176.870 -0.037 0.000 1.077 382 L CA 1.793 56.608 54.840 -0.042 0.000 0.747 382 L CB -1.003 41.046 42.059 -0.017 0.000 0.896 382 L HN 0.287 nan 8.230 nan 0.000 0.432 383 D N -1.468 118.914 120.400 -0.030 0.000 2.240 383 D HA -0.005 4.689 4.640 0.090 0.000 0.206 383 D C 2.051 178.332 176.300 -0.032 0.000 0.963 383 D CA 1.183 55.169 54.000 -0.022 0.000 0.863 383 D CB -0.048 40.747 40.800 -0.007 0.000 0.973 383 D HN 0.356 nan 8.370 nan 0.000 0.501 384 G N 0.006 108.774 108.800 -0.053 0.000 2.777 384 G HA2 0.128 4.142 3.960 0.090 0.000 0.211 384 G HA3 0.128 4.142 3.960 0.090 0.000 0.211 384 G C 0.762 175.619 174.900 -0.071 0.000 1.149 384 G CA -0.057 45.007 45.100 -0.060 0.000 0.785 384 G HN 0.198 nan 8.290 nan 0.000 0.536 385 I N 0.752 121.274 120.570 -0.081 0.000 2.698 385 I HA 0.215 4.440 4.170 0.090 0.000 0.276 385 I C -2.028 174.058 176.117 -0.052 0.000 1.166 385 I CA -1.674 59.582 61.300 -0.073 0.000 1.101 385 I CB 2.488 40.425 38.000 -0.105 0.000 1.305 385 I HN -0.137 nan 8.210 nan 0.000 0.526 386 P HA -0.193 nan 4.420 nan 0.000 0.216 386 P C 1.289 178.577 177.300 -0.021 0.000 1.150 386 P CA 1.090 64.176 63.100 -0.025 0.000 0.843 386 P CB 0.350 32.039 31.700 -0.018 0.000 0.787 387 A N -1.496 121.311 122.820 -0.021 0.000 2.327 387 A HA 0.078 4.452 4.320 0.090 0.000 0.228 387 A C 1.692 179.267 177.584 -0.014 0.000 1.275 387 A CA -0.109 51.919 52.037 -0.014 0.000 0.875 387 A CB -1.333 17.661 19.000 -0.010 0.000 0.925 387 A HN 0.089 nan 8.150 nan 0.000 0.493 388 L N -0.292 120.915 121.223 -0.027 0.000 2.129 388 L HA -0.121 4.274 4.340 0.090 0.000 0.212 388 L C 1.999 178.862 176.870 -0.012 0.000 1.087 388 L CA 2.311 57.132 54.840 -0.033 0.000 0.757 388 L CB -0.344 41.682 42.059 -0.055 0.000 0.896 388 L HN 0.331 nan 8.230 nan 0.000 0.434 389 G N -1.269 107.528 108.800 -0.005 0.000 3.088 389 G HA2 0.123 4.137 3.960 0.090 0.000 0.217 389 G HA3 0.123 4.137 3.960 0.090 0.000 0.217 389 G C 0.618 175.530 174.900 0.020 0.000 1.159 389 G CA -0.391 44.715 45.100 0.010 0.000 0.760 389 G HN 0.315 nan 8.290 nan 0.000 0.550 390 R N -0.706 119.803 120.500 0.015 0.000 2.875 390 R HA 0.670 5.064 4.340 0.090 0.000 0.251 390 R C 0.712 177.024 176.300 0.020 0.000 1.123 390 R CA -0.186 55.922 56.100 0.014 0.000 1.064 390 R CB 0.775 31.077 30.300 0.004 0.000 1.205 390 R HN 0.224 nan 8.270 nan 0.000 0.503 391 G N -0.067 108.738 108.800 0.009 0.000 2.752 391 G HA2 -0.091 3.923 3.960 0.090 0.000 0.234 391 G HA3 -0.091 3.923 3.960 0.090 0.000 0.234 391 G C -0.600 174.299 174.900 -0.000 0.000 1.367 391 G CA -0.273 44.829 45.100 0.003 0.000 0.879 391 G HN 0.814 nan 8.290 nan 0.000 0.563 392 A N 0.410 123.220 122.820 -0.016 0.000 2.264 392 A HA 0.898 5.273 4.320 0.090 0.000 0.304 392 A C 0.268 177.854 177.584 0.003 0.000 1.100 392 A CA 0.594 52.592 52.037 -0.064 0.000 0.839 392 A CB 0.741 19.696 19.000 -0.075 0.000 1.121 392 A HN 2.090 nan 8.150 nan 0.000 0.496 393 H N -0.422 118.650 119.070 0.003 0.000 3.012 393 H HA 0.682 5.295 4.556 0.094 0.000 0.367 393 H C -1.762 173.572 175.328 0.010 0.000 1.211 393 H CA -0.807 55.243 56.048 0.003 0.000 1.139 393 H CB 1.687 31.450 29.762 0.002 0.000 1.838 393 H HN 0.502 nan 8.280 nan 0.000 0.550 394 E N 1.649 121.986 120.200 0.228 0.000 2.272 394 E HA 0.427 4.831 4.350 0.090 0.000 0.269 394 E C -1.399 175.301 176.600 0.167 0.000 0.877 394 E CA -0.836 55.665 56.400 0.170 0.000 0.755 394 E CB 3.294 33.038 29.700 0.074 0.000 1.192 394 E HN 0.454 nan 8.360 nan 0.000 0.422 395 V N 2.084 122.098 119.914 0.167 0.000 3.007 395 V HA 0.524 4.699 4.120 0.090 0.000 0.311 395 V C -1.396 174.755 176.094 0.095 0.000 1.120 395 V CA -0.540 61.812 62.300 0.087 0.000 0.980 395 V CB 2.207 34.060 31.823 0.050 0.000 1.033 395 V HN 0.719 nan 8.190 nan 0.000 0.429 396 E N 3.746 123.971 120.200 0.041 0.000 2.241 396 E HA 0.427 4.831 4.350 0.090 0.000 0.263 396 E C -2.036 174.592 176.600 0.046 0.000 0.882 396 E CA -0.560 55.885 56.400 0.076 0.000 0.769 396 E CB 1.591 31.317 29.700 0.043 0.000 1.185 396 E HN 0.698 nan 8.360 nan 0.000 0.415 397 Y N 1.524 121.807 120.300 -0.028 0.000 2.301 397 Y HA 0.443 5.049 4.550 0.094 0.000 0.325 397 Y C 0.737 176.601 175.900 -0.060 0.000 1.203 397 Y CA -0.074 57.983 58.100 -0.072 0.000 1.255 397 Y CB 1.523 39.920 38.460 -0.106 0.000 1.232 397 Y HN 0.617 nan 8.280 nan 0.000 0.501 398 A N 1.659 124.517 122.820 0.063 0.000 2.351 398 A HA 0.210 4.585 4.320 0.090 0.000 0.257 398 A C -0.358 177.254 177.584 0.046 0.000 1.087 398 A CA -0.664 51.395 52.037 0.037 0.000 0.798 398 A CB 0.018 19.030 19.000 0.019 0.000 1.033 398 A HN 0.718 nan 8.150 nan 0.000 0.488 399 D N 1.569 121.984 120.400 0.024 0.000 2.688 399 D HA 0.240 4.934 4.640 0.090 0.000 0.228 399 D C -0.853 175.439 176.300 -0.014 0.000 1.116 399 D CA 0.875 54.879 54.000 0.007 0.000 1.023 399 D CB 0.041 40.839 40.800 -0.003 0.000 1.100 399 D HN 0.424 nan 8.370 nan 0.000 0.487 400 D N 1.024 121.425 120.400 0.002 0.000 2.936 400 D HA 0.151 4.846 4.640 0.090 0.000 0.238 400 D C 0.299 176.623 176.300 0.041 0.000 1.248 400 D CA -0.450 53.555 54.000 0.007 0.000 0.903 400 D CB 1.357 42.189 40.800 0.052 0.000 1.544 400 D HN -0.132 nan 8.370 nan 0.000 0.543 401 M N 2.935 122.517 119.600 -0.031 0.000 2.356 401 M HA 0.117 4.651 4.480 0.090 0.000 0.262 401 M C 0.924 177.234 176.300 0.016 0.000 1.097 401 M CA 0.024 55.300 55.300 -0.041 0.000 0.991 401 M CB 0.578 33.000 32.600 -0.297 0.000 1.450 401 M HN 0.217 nan 8.290 nan 0.000 0.495 402 V N -0.987 118.961 119.914 0.056 0.000 2.635 402 V HA 0.150 4.325 4.120 0.090 0.000 0.233 402 V C 0.406 176.683 176.094 0.304 0.000 1.097 402 V CA 0.544 62.896 62.300 0.086 0.000 1.134 402 V CB 0.030 31.823 31.823 -0.050 0.000 0.841 402 V HN 0.084 nan 8.190 nan 0.000 0.496 403 F N 2.898 122.879 119.950 0.052 0.000 2.368 403 F HA 0.377 4.962 4.527 0.098 0.000 0.362 403 F C 0.333 176.184 175.800 0.085 0.000 1.137 403 F CA -0.883 57.143 58.000 0.044 0.000 1.161 403 F CB -0.885 38.117 39.000 0.003 0.000 1.265 403 F HN 0.233 nan 8.300 nan 0.000 0.530 404 H N 2.412 121.592 119.070 0.183 0.000 2.552 404 H HA 0.629 5.238 4.556 0.089 0.000 0.311 404 H C 0.064 175.471 175.328 0.133 0.000 1.071 404 H CA 0.192 56.329 56.048 0.148 0.000 1.307 404 H CB 1.162 31.001 29.762 0.129 0.000 1.416 404 H HN 0.757 nan 8.280 nan 0.000 0.464 405 G N 4.669 113.330 108.800 -0.231 0.000 2.336 405 G HA2 0.013 4.027 3.960 0.090 0.000 0.300 405 G HA3 0.013 4.027 3.960 0.090 0.000 0.300 405 G C -3.319 171.318 174.900 -0.438 0.000 1.375 405 G CA -1.167 43.746 45.100 -0.313 0.000 0.885 405 G HN 0.366 nan 8.290 nan 0.000 0.599 406 P HA 0.159 nan 4.420 nan 0.000 0.265 406 P C 1.208 178.386 177.300 -0.202 0.000 1.193 406 P CA 0.596 63.408 63.100 -0.480 0.000 0.765 406 P CB 0.815 32.246 31.700 -0.448 0.000 0.823 407 T N 1.118 115.599 114.554 -0.122 0.000 3.014 407 T HA 0.036 4.440 4.350 0.090 0.000 0.263 407 T C 0.575 175.253 174.700 -0.037 0.000 1.078 407 T CA 0.276 62.347 62.100 -0.048 0.000 1.135 407 T CB -0.185 68.673 68.868 -0.017 0.000 0.895 407 T HN 0.583 nan 8.240 nan 0.000 0.480 408 R N -0.507 119.960 120.500 -0.055 0.000 2.687 408 R HA 0.638 5.032 4.340 0.090 0.000 0.265 408 R C -2.279 173.994 176.300 -0.044 0.000 1.048 408 R CA -1.097 54.984 56.100 -0.032 0.000 0.884 408 R CB 0.930 31.228 30.300 -0.003 0.000 1.258 408 R HN 0.184 nan 8.270 nan 0.000 0.469 409 L N 2.844 124.050 121.223 -0.028 0.000 2.568 409 L HA 0.400 4.794 4.340 0.090 0.000 0.262 409 L C -1.710 175.162 176.870 0.003 0.000 0.980 409 L CA -1.034 53.788 54.840 -0.029 0.000 0.882 409 L CB 1.585 43.594 42.059 -0.083 0.000 1.198 409 L HN 0.550 nan 8.230 nan 0.000 0.425 410 L N 4.113 125.355 121.223 0.031 0.000 2.375 410 L HA 0.482 4.876 4.340 0.090 0.000 0.271 410 L C -0.359 176.544 176.870 0.055 0.000 1.107 410 L CA 0.003 54.864 54.840 0.036 0.000 0.806 410 L CB 1.425 43.505 42.059 0.036 0.000 1.146 410 L HN 0.435 nan 8.230 nan 0.000 0.447 411 L N 1.955 123.201 121.223 0.039 0.000 2.342 411 L HA 0.455 4.849 4.340 0.090 0.000 0.271 411 L C -0.363 176.527 176.870 0.032 0.000 1.008 411 L CA -0.136 54.732 54.840 0.047 0.000 0.818 411 L CB 1.742 43.812 42.059 0.019 0.000 1.296 411 L HN 0.533 nan 8.230 nan 0.000 0.427 412 D N 3.592 124.012 120.400 0.032 0.000 2.930 412 D HA 0.238 4.932 4.640 0.090 0.000 0.304 412 D C -1.312 174.994 176.300 0.010 0.000 1.298 412 D CA -0.188 53.822 54.000 0.016 0.000 0.949 412 D CB 0.038 40.844 40.800 0.010 0.000 1.013 412 D HN 0.323 nan 8.370 nan 0.000 0.510 413 L N -0.089 121.138 121.223 0.006 0.000 2.325 413 L HA 0.728 5.122 4.340 0.090 0.000 0.281 413 L C -2.617 174.252 176.870 -0.001 0.000 1.004 413 L CA -1.703 53.138 54.840 0.001 0.000 0.823 413 L CB 0.891 42.948 42.059 -0.004 0.000 1.236 413 L HN -0.205 nan 8.230 nan 0.000 0.415 414 P HA 0.000 nan 4.420 nan 0.000 0.216 414 P CA 0.000 63.100 63.100 -0.001 0.000 0.800 414 P CB 0.000 31.700 31.700 0.000 0.000 0.726