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 3dhi_1_A DATA FIRST_RESID 2 DATA SEQUENCE AMHPRKDWYE LTRATNWTPS YVTEEQLFPE RMSGHMGIPL EKWESYDEPY DATA SEQUENCE KTSYPEYVSI QREKDAGAYS VKAALERAKI YENSDPGWIS TLKSHYGAIA DATA SEQUENCE VGEYAAVTGE GRMARFSKAP GNRNMATFGM MDELRHGQLQ LFFPHEYCKK DATA SEQUENCE DRQFDWAWRA YHSNEWAAIA AKHFFDDIIT GRDAISVAIM LTFSFETGFT DATA SEQUENCE NMQFLGLAAD AAEAGDYTFA NLISSIQTDE SRHAQQGGPA LQLLIENGKR DATA SEQUENCE EEAQKKVDMA IWRAWRLFAV LTGPVMDYYT PLEDRSQSFK EFMYEWIIGQ DATA SEQUENCE FERSLIDLGL DKPWYWDLFL KDIDELHHSY HMGVWYWRTT AWWNPAAGVT DATA SEQUENCE PEERDWLEEK YPGWNKRWGR CWDVITENVL NDRMDLVSPE TLPSVCNMSQ DATA SEQUENCE IPLVGVPGDD WNIEVFSLEH NGRLYHFGSE VDRWVFQQDP VQYQNHMNIV DATA SEQUENCE DRFLAGQIQP MTLEGALKYM GFQSIEEMGK DAHDFAWADK CKPAMKKS 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 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.439 177.584 -0.242 0.000 1.274 2 A CA 0.000 51.970 52.037 -0.112 0.000 0.836 2 A CB 0.000 18.947 19.000 -0.089 0.000 0.831 3 M N 1.275 120.732 119.600 -0.239 0.000 2.508 3 M HA 0.445 4.928 4.480 0.005 0.000 0.327 3 M C -0.718 175.395 176.300 -0.312 0.000 1.160 3 M CA -0.177 54.959 55.300 -0.273 0.000 0.980 3 M CB 1.200 33.768 32.600 -0.054 0.000 1.693 3 M HN 0.832 nan 8.290 nan 0.000 0.452 4 H N 1.434 120.613 119.070 0.181 0.000 2.473 4 H HA 0.462 5.021 4.556 0.005 0.000 0.327 4 H C -2.014 173.553 175.328 0.398 0.000 1.105 4 H CA -1.292 54.910 56.048 0.257 0.000 1.280 4 H CB 0.391 30.319 29.762 0.277 0.000 1.450 4 H HN 0.338 nan 8.280 nan 0.000 0.492 5 P HA 0.026 nan 4.420 nan 0.000 0.272 5 P C 0.626 177.925 177.300 -0.002 0.000 1.223 5 P CA -0.418 62.800 63.100 0.196 0.000 0.784 5 P CB 1.464 33.215 31.700 0.084 0.000 0.923 6 R N 2.269 122.652 120.500 -0.195 0.000 2.117 6 R HA -0.192 4.151 4.340 0.005 0.000 0.243 6 R C 2.121 177.938 176.300 -0.804 0.000 1.143 6 R CA 2.225 57.785 56.100 -0.901 0.000 0.968 6 R CB -0.261 29.744 30.300 -0.491 0.000 0.863 6 R HN 0.534 nan 8.270 nan 0.000 0.444 7 K N -0.507 119.678 120.400 -0.358 0.000 2.211 7 K HA -0.152 4.171 4.320 0.005 0.000 0.204 7 K C 0.890 177.396 176.600 -0.157 0.000 1.047 7 K CA 1.917 58.075 56.287 -0.215 0.000 0.935 7 K CB -0.046 32.382 32.500 -0.120 0.000 0.728 7 K HN 0.138 nan 8.250 nan 0.000 0.452 8 D N 0.223 120.530 120.400 -0.156 0.000 2.289 8 D HA -0.072 4.571 4.640 0.005 0.000 0.207 8 D C 1.351 177.708 176.300 0.095 0.000 0.966 8 D CA 0.871 54.876 54.000 0.007 0.000 0.868 8 D CB -0.017 40.851 40.800 0.113 0.000 0.943 8 D HN 0.655 nan 8.370 nan 0.000 0.514 9 W N -1.079 120.298 121.300 0.128 0.000 2.714 9 W HA 0.220 4.883 4.660 0.005 0.000 0.353 9 W C 1.214 177.806 176.519 0.121 0.000 0.999 9 W CA -0.550 56.858 57.345 0.105 0.000 1.629 9 W CB -1.000 28.517 29.460 0.094 0.000 1.106 9 W HN -0.143 nan 8.180 nan 0.000 0.545 10 Y N 3.090 123.238 120.300 -0.253 0.000 2.165 10 Y HA -0.245 4.308 4.550 0.005 0.000 0.286 10 Y C 2.465 178.406 175.900 0.070 0.000 1.155 10 Y CA 2.603 60.619 58.100 -0.141 0.000 1.164 10 Y CB -0.197 38.106 38.460 -0.260 0.000 0.978 10 Y HN -0.224 nan 8.280 nan 0.000 0.513 11 E N 0.245 120.527 120.200 0.137 0.000 2.160 11 E HA -0.201 4.152 4.350 0.005 0.000 0.195 11 E C 2.281 178.911 176.600 0.050 0.000 0.991 11 E CA 1.342 57.804 56.400 0.104 0.000 0.810 11 E CB -0.482 29.288 29.700 0.117 0.000 0.742 11 E HN 0.562 nan 8.360 nan 0.000 0.466 12 L N 0.919 122.193 121.223 0.085 0.000 2.141 12 L HA -0.140 4.203 4.340 0.005 0.000 0.209 12 L C 2.668 179.563 176.870 0.041 0.000 1.094 12 L CA 1.614 56.501 54.840 0.080 0.000 0.763 12 L CB -0.945 41.184 42.059 0.117 0.000 0.908 12 L HN 0.211 nan 8.230 nan 0.000 0.437 13 T N -1.375 113.180 114.554 0.002 0.000 2.929 13 T HA -0.197 4.156 4.350 0.005 0.000 0.271 13 T C 1.609 176.262 174.700 -0.080 0.000 1.085 13 T CA 1.058 63.130 62.100 -0.047 0.000 1.125 13 T CB -0.273 68.534 68.868 -0.102 0.000 0.874 13 T HN 0.551 nan 8.240 nan 0.000 0.494 14 R N 0.566 121.011 120.500 -0.091 0.000 2.543 14 R HA 0.663 5.006 4.340 0.005 0.000 0.323 14 R C 0.803 177.133 176.300 0.050 0.000 1.002 14 R CA -0.031 56.064 56.100 -0.008 0.000 1.106 14 R CB 0.154 30.468 30.300 0.024 0.000 1.280 14 R HN 0.250 nan 8.270 nan 0.000 0.549 15 A N 1.682 124.532 122.820 0.049 0.000 3.056 15 A HA 0.188 4.511 4.320 0.005 0.000 0.274 15 A C 0.754 178.393 177.584 0.091 0.000 1.661 15 A CA -0.157 51.925 52.037 0.075 0.000 1.363 15 A CB -0.344 18.697 19.000 0.067 0.000 1.139 15 A HN 0.458 nan 8.150 nan 0.000 0.598 16 T N -2.901 111.726 114.554 0.122 0.000 3.058 16 T HA 0.161 4.514 4.350 0.005 0.000 0.278 16 T C 0.310 175.206 174.700 0.326 0.000 0.974 16 T CA -0.379 61.829 62.100 0.179 0.000 0.893 16 T CB -0.224 68.728 68.868 0.141 0.000 1.138 16 T HN 0.306 nan 8.240 nan 0.000 0.529 17 N N 2.510 121.352 118.700 0.237 0.000 2.530 17 N HA 0.532 5.275 4.740 0.005 0.000 0.273 17 N C -0.735 174.984 175.510 0.349 0.000 1.173 17 N CA -0.417 52.760 53.050 0.212 0.000 0.967 17 N CB 0.543 39.070 38.487 0.066 0.000 1.109 17 N HN 0.742 nan 8.380 nan 0.000 0.453 18 W N -0.502 120.839 121.300 0.068 0.000 3.062 18 W HA 0.502 5.165 4.660 0.005 0.000 0.336 18 W C -1.158 175.399 176.519 0.063 0.000 1.224 18 W CA -0.886 56.492 57.345 0.056 0.000 1.159 18 W CB 0.198 29.688 29.460 0.050 0.000 1.454 18 W HN 0.117 nan 8.180 nan 0.000 0.569 19 T N 3.822 118.438 114.554 0.103 0.000 2.723 19 T HA 0.296 4.649 4.350 0.005 0.000 0.297 19 T C -2.264 172.446 174.700 0.017 0.000 0.925 19 T CA -0.726 61.362 62.100 -0.021 0.000 1.030 19 T CB 0.372 69.262 68.868 0.037 0.000 0.905 19 T HN 0.096 nan 8.240 nan 0.000 0.502 20 P HA 0.275 nan 4.420 nan 0.000 0.268 20 P C 0.131 177.427 177.300 -0.006 0.000 1.205 20 P CA -0.153 62.948 63.100 0.002 0.000 0.771 20 P CB 0.750 32.399 31.700 -0.085 0.000 0.858 21 S N 0.096 115.765 115.700 -0.052 0.000 2.663 21 S HA 0.106 4.579 4.470 0.005 0.000 0.247 21 S C 0.825 175.163 174.600 -0.436 0.000 1.074 21 S CA 0.166 58.169 58.200 -0.329 0.000 0.955 21 S CB -0.266 62.589 63.200 -0.576 0.000 0.901 21 S HN 0.442 nan 8.310 nan 0.000 0.505 22 Y N 1.844 122.187 120.300 0.073 0.000 2.497 22 Y HA 0.395 4.948 4.550 0.005 0.000 0.265 22 Y C 0.873 176.795 175.900 0.036 0.000 1.111 22 Y CA -0.348 57.782 58.100 0.049 0.000 1.288 22 Y CB 0.355 38.844 38.460 0.050 0.000 1.082 22 Y HN 0.162 nan 8.280 nan 0.000 0.536 23 V N -2.959 117.036 119.914 0.135 0.000 3.102 23 V HA 0.724 4.847 4.120 0.005 0.000 0.312 23 V C 0.001 176.110 176.094 0.025 0.000 1.135 23 V CA -0.826 61.515 62.300 0.069 0.000 1.022 23 V CB 1.382 33.243 31.823 0.062 0.000 1.056 23 V HN 0.080 nan 8.190 nan 0.000 0.436 24 T N -1.881 112.680 114.554 0.011 0.000 2.849 24 T HA 0.347 4.700 4.350 0.005 0.000 0.284 24 T C 0.917 175.613 174.700 -0.007 0.000 1.004 24 T CA 0.665 62.763 62.100 -0.003 0.000 1.021 24 T CB 1.301 70.171 68.868 0.004 0.000 1.013 24 T HN 1.056 nan 8.240 nan 0.000 0.527 25 E N 0.147 120.341 120.200 -0.011 0.000 2.097 25 E HA -0.263 4.090 4.350 0.005 0.000 0.196 25 E C 1.872 178.513 176.600 0.068 0.000 1.000 25 E CA 1.621 58.030 56.400 0.015 0.000 0.804 25 E CB -0.102 29.582 29.700 -0.026 0.000 0.740 25 E HN 0.818 nan 8.360 nan 0.000 0.454 26 E N 0.443 120.671 120.200 0.046 0.000 2.150 26 E HA -0.180 4.173 4.350 0.005 0.000 0.193 26 E C 1.949 178.599 176.600 0.083 0.000 0.985 26 E CA 1.337 57.792 56.400 0.092 0.000 0.814 26 E CB 0.005 29.752 29.700 0.077 0.000 0.752 26 E HN 0.356 nan 8.360 nan 0.000 0.466 27 Q N -0.680 119.143 119.800 0.038 0.000 2.119 27 Q HA -0.097 4.246 4.340 0.005 0.000 0.201 27 Q C 2.012 178.005 176.000 -0.012 0.000 0.972 27 Q CA 1.187 57.002 55.803 0.020 0.000 0.847 27 Q CB -0.080 28.666 28.738 0.012 0.000 0.903 27 Q HN 0.277 nan 8.270 nan 0.000 0.433 28 L N -0.846 120.331 121.223 -0.078 0.000 2.131 28 L HA 0.012 4.355 4.340 0.005 0.000 0.206 28 L C 0.055 176.644 176.870 -0.469 0.000 1.087 28 L CA 1.498 56.154 54.840 -0.306 0.000 0.767 28 L CB 0.294 42.090 42.059 -0.438 0.000 0.917 28 L HN 0.007 nan 8.230 nan 0.000 0.441 29 F N 1.635 121.611 119.950 0.044 0.000 2.531 29 F HA 0.413 4.943 4.527 0.005 0.000 0.333 29 F C -2.164 173.731 175.800 0.158 0.000 1.292 29 F CA -2.699 55.375 58.000 0.125 0.000 1.184 29 F CB -0.019 38.988 39.000 0.011 0.000 1.426 29 F HN -0.040 nan 8.300 nan 0.000 0.559 30 P HA -0.016 nan 4.420 nan 0.000 0.267 30 P C 0.811 178.111 177.300 0.000 0.000 1.205 30 P CA 0.299 63.451 63.100 0.087 0.000 0.765 30 P CB 1.358 33.048 31.700 -0.017 0.000 0.828 31 E N 5.177 125.360 120.200 -0.028 0.000 2.130 31 E HA -0.257 4.096 4.350 0.005 0.000 0.196 31 E C 1.960 178.411 176.600 -0.248 0.000 0.998 31 E CA 1.850 58.077 56.400 -0.289 0.000 0.806 31 E CB -0.360 29.176 29.700 -0.273 0.000 0.738 31 E HN 0.468 nan 8.360 nan 0.000 0.459 32 R N -0.517 119.867 120.500 -0.193 0.000 2.152 32 R HA -0.090 4.253 4.340 0.005 0.000 0.232 32 R C 1.539 177.672 176.300 -0.278 0.000 1.117 32 R CA 1.625 57.603 56.100 -0.203 0.000 0.981 32 R CB -0.169 30.031 30.300 -0.166 0.000 0.870 32 R HN 0.236 nan 8.270 nan 0.000 0.451 33 M N -0.104 119.258 119.600 -0.397 0.000 2.567 33 M HA 0.150 4.633 4.480 0.005 0.000 0.261 33 M C 1.974 178.008 176.300 -0.443 0.000 1.180 33 M CA 0.756 55.658 55.300 -0.664 0.000 1.143 33 M CB 0.187 31.861 32.600 -1.544 0.000 1.319 33 M HN 0.214 nan 8.290 nan 0.000 0.490 34 S N -0.196 115.362 115.700 -0.236 0.000 2.460 34 S HA 0.214 4.687 4.470 0.005 0.000 0.226 34 S C 1.432 175.945 174.600 -0.146 0.000 1.057 34 S CA 1.126 59.302 58.200 -0.040 0.000 0.948 34 S CB -0.133 63.183 63.200 0.194 0.000 0.822 34 S HN 0.631 nan 8.310 nan 0.000 0.512 35 G N 1.572 110.218 108.800 -0.257 0.000 2.198 35 G HA2 -0.291 3.672 3.960 0.005 0.000 0.260 35 G HA3 -0.291 3.672 3.960 0.005 0.000 0.260 35 G C 0.220 175.035 174.900 -0.142 0.000 1.025 35 G CA 0.932 45.902 45.100 -0.217 0.000 0.769 35 G HN 0.901 nan 8.290 nan 0.000 0.507 36 H N -2.254 116.815 119.070 -0.002 0.000 2.559 36 H HA 0.386 4.945 4.556 0.005 0.000 0.273 36 H C 1.973 177.467 175.328 0.277 0.000 1.000 36 H CA 0.720 56.857 56.048 0.148 0.000 1.195 36 H CB -0.120 29.645 29.762 0.005 0.000 1.368 36 H HN 0.615 nan 8.280 nan 0.000 0.592 37 M N -0.024 119.634 119.600 0.097 0.000 2.576 37 M HA -0.238 4.245 4.480 0.005 0.000 0.200 37 M C 1.279 177.719 176.300 0.233 0.000 0.487 37 M CA 0.912 56.289 55.300 0.129 0.000 0.553 37 M CB -1.744 30.928 32.600 0.120 0.000 2.042 37 M HN 0.864 nan 8.290 nan 0.000 0.758 38 G N 0.036 109.115 108.800 0.465 0.000 2.184 38 G HA2 -0.281 3.682 3.960 0.005 0.000 0.264 38 G HA3 -0.281 3.682 3.960 0.005 0.000 0.264 38 G C 0.037 175.060 174.900 0.205 0.000 0.975 38 G CA 0.325 45.614 45.100 0.316 0.000 0.642 38 G HN 0.634 nan 8.290 nan 0.000 0.536 39 I N 3.415 124.158 120.570 0.288 0.000 2.452 39 I HA 0.226 4.399 4.170 0.005 0.000 0.287 39 I C -1.140 175.104 176.117 0.212 0.000 1.079 39 I CA -1.891 59.505 61.300 0.160 0.000 1.387 39 I CB 0.797 38.807 38.000 0.017 0.000 1.404 39 I HN -0.025 nan 8.210 nan 0.000 0.522 40 P HA 0.065 nan 4.420 nan 0.000 0.272 40 P C 0.956 178.337 177.300 0.135 0.000 1.230 40 P CA -0.327 62.794 63.100 0.035 0.000 0.788 40 P CB 1.179 32.873 31.700 -0.010 0.000 0.949 41 L N 0.262 121.512 121.223 0.045 0.000 2.051 41 L HA -0.235 4.108 4.340 0.005 0.000 0.214 41 L C 2.623 179.557 176.870 0.107 0.000 1.076 41 L CA 1.772 56.635 54.840 0.039 0.000 0.758 41 L CB -0.581 41.413 42.059 -0.109 0.000 0.890 41 L HN 0.527 nan 8.230 nan 0.000 0.433 42 E N 0.042 120.267 120.200 0.042 0.000 2.110 42 E HA -0.225 4.128 4.350 0.005 0.000 0.193 42 E C 2.066 178.674 176.600 0.014 0.000 0.988 42 E CA 1.055 57.471 56.400 0.026 0.000 0.804 42 E CB 0.163 29.865 29.700 0.003 0.000 0.745 42 E HN 0.331 nan 8.360 nan 0.000 0.458 43 K N -0.503 119.872 120.400 -0.042 0.000 2.211 43 K HA -0.146 4.177 4.320 0.005 0.000 0.203 43 K C 1.755 178.237 176.600 -0.197 0.000 1.050 43 K CA 0.663 56.849 56.287 -0.169 0.000 0.945 43 K CB -0.454 31.860 32.500 -0.310 0.000 0.732 43 K HN 0.292 nan 8.250 nan 0.000 0.451 44 W N 1.578 122.854 121.300 -0.039 0.000 2.800 44 W HA 0.001 4.664 4.660 0.005 0.000 0.249 44 W C 1.582 178.116 176.519 0.024 0.000 1.294 44 W CA 0.152 57.485 57.345 -0.021 0.000 1.402 44 W CB -0.006 29.387 29.460 -0.111 0.000 1.126 44 W HN 0.177 nan 8.180 nan 0.000 0.652 45 E N -0.043 120.270 120.200 0.187 0.000 2.418 45 E HA -0.137 4.216 4.350 0.005 0.000 0.197 45 E C 2.130 178.821 176.600 0.152 0.000 1.026 45 E CA 1.282 57.774 56.400 0.153 0.000 0.862 45 E CB -0.080 29.682 29.700 0.102 0.000 0.799 45 E HN 0.167 nan 8.360 nan 0.000 0.518 46 S N -0.369 115.405 115.700 0.124 0.000 2.558 46 S HA -0.085 4.388 4.470 0.005 0.000 0.217 46 S C 0.559 175.243 174.600 0.140 0.000 0.975 46 S CA -0.477 57.780 58.200 0.094 0.000 0.912 46 S CB -0.366 62.848 63.200 0.023 0.000 0.776 46 S HN 0.298 nan 8.310 nan 0.000 0.526 47 Y N 2.995 123.345 120.300 0.084 0.000 2.802 47 Y HA 0.184 4.737 4.550 0.005 0.000 0.333 47 Y C -0.298 175.673 175.900 0.117 0.000 1.244 47 Y CA 0.394 58.564 58.100 0.117 0.000 1.558 47 Y CB 0.172 38.748 38.460 0.193 0.000 1.233 47 Y HN 0.176 nan 8.280 nan 0.000 0.547 48 D N 6.397 126.697 120.400 -0.168 0.000 2.389 48 D HA 0.062 4.705 4.640 0.005 0.000 0.256 48 D C -1.167 175.035 176.300 -0.163 0.000 1.239 48 D CA -0.664 53.312 54.000 -0.041 0.000 0.925 48 D CB 0.454 41.248 40.800 -0.010 0.000 1.145 48 D HN 0.603 nan 8.370 nan 0.000 0.542 49 E N 3.974 124.157 120.200 -0.028 0.000 2.493 49 E HA 0.027 4.380 4.350 0.005 0.000 0.255 49 E C -1.857 174.764 176.600 0.035 0.000 0.999 49 E CA -0.982 55.441 56.400 0.038 0.000 0.934 49 E CB 1.103 30.971 29.700 0.281 0.000 0.940 49 E HN 0.279 nan 8.360 nan 0.000 0.473 50 P HA -0.055 nan 4.420 nan 0.000 0.231 50 P C -0.281 177.056 177.300 0.062 0.000 1.168 50 P CA 0.624 63.733 63.100 0.014 0.000 0.779 50 P CB 0.077 31.781 31.700 0.007 0.000 0.844 51 Y N 1.670 121.969 120.300 -0.001 0.000 2.686 51 Y HA 0.399 4.952 4.550 0.005 0.000 0.331 51 Y C 0.112 176.020 175.900 0.013 0.000 0.996 51 Y CA -1.974 56.127 58.100 0.001 0.000 1.293 51 Y CB 0.273 38.751 38.460 0.031 0.000 1.092 51 Y HN -0.265 nan 8.280 nan 0.000 0.524 52 K N 1.941 122.462 120.400 0.202 0.000 2.090 52 K HA 0.665 4.988 4.320 0.005 0.000 0.249 52 K C -0.158 176.512 176.600 0.116 0.000 0.995 52 K CA -0.653 55.684 56.287 0.083 0.000 0.914 52 K CB 1.674 33.995 32.500 -0.300 0.000 1.057 52 K HN 0.504 nan 8.250 nan 0.000 0.462 53 T N -0.653 113.965 114.554 0.106 0.000 2.762 53 T HA 0.494 4.847 4.350 0.005 0.000 0.301 53 T C -1.675 173.095 174.700 0.115 0.000 1.299 53 T CA -0.669 61.432 62.100 0.000 0.000 1.005 53 T CB 1.338 70.074 68.868 -0.220 0.000 1.377 53 T HN 0.709 nan 8.240 nan 0.000 0.504 54 S N 0.440 116.201 115.700 0.101 0.000 2.618 54 S HA 0.465 4.938 4.470 0.005 0.000 0.277 54 S C 0.330 175.144 174.600 0.355 0.000 1.138 54 S CA -0.678 57.760 58.200 0.397 0.000 0.844 54 S CB 1.124 64.700 63.200 0.627 0.000 1.127 54 S HN 0.789 nan 8.310 nan 0.000 0.474 55 Y N 2.339 122.931 120.300 0.487 0.000 2.097 55 Y HA 0.040 4.593 4.550 0.005 0.000 0.282 55 Y C -1.201 174.887 175.900 0.314 0.000 1.152 55 Y CA 2.428 60.806 58.100 0.464 0.000 1.136 55 Y CB -1.437 37.223 38.460 0.332 0.000 0.975 55 Y HN 0.544 nan 8.280 nan 0.000 0.498 56 P HA -0.154 nan 4.420 nan 0.000 0.216 56 P C 1.011 178.378 177.300 0.112 0.000 1.153 56 P CA 2.275 65.505 63.100 0.217 0.000 0.848 56 P CB -0.059 31.773 31.700 0.219 0.000 0.787 57 E N -1.700 118.584 120.200 0.140 0.000 2.106 57 E HA -0.216 4.137 4.350 0.005 0.000 0.192 57 E C 2.034 178.636 176.600 0.003 0.000 0.984 57 E CA 0.854 57.299 56.400 0.075 0.000 0.806 57 E CB -0.674 29.082 29.700 0.094 0.000 0.750 57 E HN 0.287 nan 8.360 nan 0.000 0.458 58 Y N 1.732 121.941 120.300 -0.151 0.000 2.070 58 Y HA -0.281 4.271 4.550 0.005 0.000 0.280 58 Y C 2.393 178.201 175.900 -0.153 0.000 1.148 58 Y CA 1.860 59.828 58.100 -0.221 0.000 1.125 58 Y CB -0.377 37.863 38.460 -0.367 0.000 0.975 58 Y HN -0.028 nan 8.280 nan 0.000 0.492 59 V N -2.214 117.642 119.914 -0.096 0.000 2.407 59 V HA -0.222 3.901 4.120 0.005 0.000 0.248 59 V C 2.313 178.337 176.094 -0.117 0.000 1.055 59 V CA 2.185 64.405 62.300 -0.132 0.000 1.049 59 V CB -1.455 30.279 31.823 -0.147 0.000 0.662 59 V HN 0.466 nan 8.190 nan 0.000 0.455 60 S N 0.364 116.017 115.700 -0.079 0.000 2.355 60 S HA -0.057 4.416 4.470 0.005 0.000 0.222 60 S C 1.892 176.447 174.600 -0.074 0.000 1.031 60 S CA 1.894 60.066 58.200 -0.047 0.000 0.993 60 S CB -0.487 62.708 63.200 -0.008 0.000 0.859 60 S HN 0.634 nan 8.310 nan 0.000 0.453 61 I N 1.222 121.724 120.570 -0.113 0.000 2.286 61 I HA -0.114 4.059 4.170 0.005 0.000 0.245 61 I C 2.645 178.667 176.117 -0.158 0.000 1.104 61 I CA 0.817 62.049 61.300 -0.114 0.000 1.397 61 I CB -0.292 37.643 38.000 -0.109 0.000 1.072 61 I HN 0.309 nan 8.210 nan 0.000 0.417 62 Q N 0.384 120.008 119.800 -0.294 0.000 2.167 62 Q HA -0.190 4.153 4.340 0.005 0.000 0.202 62 Q C 2.140 178.069 176.000 -0.119 0.000 0.970 62 Q CA 1.118 56.750 55.803 -0.285 0.000 0.855 62 Q CB -0.511 27.893 28.738 -0.557 0.000 0.911 62 Q HN 0.489 nan 8.270 nan 0.000 0.438 63 R N 1.124 121.567 120.500 -0.094 0.000 2.083 63 R HA -0.188 4.155 4.340 0.005 0.000 0.237 63 R C 2.019 178.319 176.300 0.001 0.000 1.137 63 R CA 1.795 57.879 56.100 -0.027 0.000 0.951 63 R CB -0.092 30.194 30.300 -0.023 0.000 0.851 63 R HN 0.304 nan 8.270 nan 0.000 0.434 64 E N 0.374 120.566 120.200 -0.013 0.000 2.077 64 E HA -0.196 4.157 4.350 0.005 0.000 0.193 64 E C 1.801 178.415 176.600 0.023 0.000 0.989 64 E CA 1.316 57.721 56.400 0.008 0.000 0.800 64 E CB 0.140 29.840 29.700 -0.001 0.000 0.746 64 E HN 0.322 nan 8.360 nan 0.000 0.452 65 K N 0.338 120.741 120.400 0.004 0.000 2.032 65 K HA -0.181 4.142 4.320 0.005 0.000 0.209 65 K C 1.890 178.525 176.600 0.058 0.000 1.048 65 K CA 1.645 57.943 56.287 0.018 0.000 0.927 65 K CB -0.110 32.386 32.500 -0.006 0.000 0.712 65 K HN 0.150 nan 8.250 nan 0.000 0.441 66 D N 0.294 120.749 120.400 0.092 0.000 2.144 66 D HA -0.062 4.581 4.640 0.005 0.000 0.200 66 D C 1.809 178.281 176.300 0.286 0.000 0.978 66 D CA 1.044 55.169 54.000 0.209 0.000 0.833 66 D CB -0.165 40.809 40.800 0.291 0.000 0.961 66 D HN 0.179 nan 8.370 nan 0.000 0.470 67 A N 0.695 123.620 122.820 0.175 0.000 1.892 67 A HA -0.126 4.197 4.320 0.005 0.000 0.218 67 A C 2.363 180.041 177.584 0.158 0.000 1.188 67 A CA 2.364 54.492 52.037 0.152 0.000 0.631 67 A CB -1.176 17.873 19.000 0.082 0.000 0.822 67 A HN 0.322 nan 8.150 nan 0.000 0.447 68 G N -0.881 107.989 108.800 0.117 0.000 2.404 68 G HA2 0.037 4.000 3.960 0.005 0.000 0.215 68 G HA3 0.037 4.000 3.960 0.005 0.000 0.215 68 G C 1.770 176.746 174.900 0.127 0.000 1.174 68 G CA 1.483 46.645 45.100 0.103 0.000 0.780 68 G HN 0.840 nan 8.290 nan 0.000 0.537 69 A N 0.063 122.949 122.820 0.110 0.000 1.877 69 A HA 0.026 4.349 4.320 0.005 0.000 0.216 69 A C 2.250 179.952 177.584 0.197 0.000 1.186 69 A CA 1.535 53.633 52.037 0.101 0.000 0.620 69 A CB -0.615 18.349 19.000 -0.060 0.000 0.822 69 A HN 0.405 nan 8.150 nan 0.000 0.443 70 Y N 1.073 121.518 120.300 0.242 0.000 2.314 70 Y HA -0.146 4.407 4.550 0.005 0.000 0.293 70 Y C 3.110 179.071 175.900 0.101 0.000 1.129 70 Y CA 1.430 59.627 58.100 0.161 0.000 1.201 70 Y CB -0.310 38.177 38.460 0.046 0.000 0.999 70 Y HN 0.480 nan 8.280 nan 0.000 0.541 71 S N -1.067 114.774 115.700 0.236 0.000 2.402 71 S HA -0.132 4.341 4.470 0.005 0.000 0.229 71 S C 2.014 176.695 174.600 0.134 0.000 1.021 71 S CA 1.226 59.518 58.200 0.153 0.000 0.974 71 S CB -1.068 62.201 63.200 0.115 0.000 0.800 71 S HN 0.177 nan 8.310 nan 0.000 0.484 72 V N 2.481 122.486 119.914 0.153 0.000 2.358 72 V HA -0.133 3.990 4.120 0.005 0.000 0.246 72 V C 2.766 178.957 176.094 0.162 0.000 1.047 72 V CA 2.066 64.458 62.300 0.154 0.000 1.035 72 V CB -0.771 31.157 31.823 0.175 0.000 0.658 72 V HN 0.553 nan 8.190 nan 0.000 0.452 73 K N 0.380 120.881 120.400 0.168 0.000 2.020 73 K HA -0.255 4.068 4.320 0.005 0.000 0.212 73 K C 2.199 178.825 176.600 0.045 0.000 1.050 73 K CA 1.910 58.234 56.287 0.062 0.000 0.929 73 K CB -0.401 31.965 32.500 -0.222 0.000 0.714 73 K HN 0.421 nan 8.250 nan 0.000 0.443 74 A N 0.838 123.699 122.820 0.068 0.000 1.908 74 A HA -0.121 4.202 4.320 0.005 0.000 0.218 74 A C 2.273 179.892 177.584 0.058 0.000 1.181 74 A CA 2.019 54.091 52.037 0.059 0.000 0.627 74 A CB -0.750 18.296 19.000 0.076 0.000 0.818 74 A HN 0.520 nan 8.150 nan 0.000 0.445 75 A N -1.073 121.792 122.820 0.075 0.000 2.119 75 A HA 0.250 4.573 4.320 0.005 0.000 0.217 75 A C 1.716 179.346 177.584 0.078 0.000 1.153 75 A CA 1.036 53.114 52.037 0.069 0.000 0.692 75 A CB -0.306 18.736 19.000 0.069 0.000 0.799 75 A HN 0.451 nan 8.150 nan 0.000 0.458 76 L N -0.698 120.583 121.223 0.096 0.000 2.728 76 L HA 0.129 4.472 4.340 0.005 0.000 0.238 76 L C 1.331 178.268 176.870 0.112 0.000 1.143 76 L CA -0.172 54.740 54.840 0.120 0.000 0.937 76 L CB 0.027 42.188 42.059 0.171 0.000 1.225 76 L HN 0.208 nan 8.230 nan 0.000 0.507 77 E N 1.146 121.390 120.200 0.072 0.000 2.171 77 E HA -0.159 4.194 4.350 0.005 0.000 0.197 77 E C 1.228 177.873 176.600 0.076 0.000 0.997 77 E CA 1.004 57.434 56.400 0.050 0.000 0.810 77 E CB 0.054 29.755 29.700 0.001 0.000 0.738 77 E HN 0.366 nan 8.360 nan 0.000 0.467 78 R N -0.265 120.281 120.500 0.076 0.000 2.466 78 R HA 0.279 4.622 4.340 0.005 0.000 0.279 78 R C 1.231 177.587 176.300 0.093 0.000 0.976 78 R CA 0.226 56.373 56.100 0.078 0.000 1.081 78 R CB -0.005 30.329 30.300 0.057 0.000 1.215 78 R HN 0.012 nan 8.270 nan 0.000 0.546 79 A N 1.436 124.325 122.820 0.115 0.000 2.235 79 A HA -0.009 4.314 4.320 0.005 0.000 0.208 79 A C 0.525 178.182 177.584 0.122 0.000 1.172 79 A CA 0.135 52.244 52.037 0.120 0.000 0.786 79 A CB -0.151 18.936 19.000 0.144 0.000 0.804 79 A HN 0.295 nan 8.150 nan 0.000 0.479 80 K N -0.944 119.539 120.400 0.137 0.000 3.096 80 K HA -0.180 4.143 4.320 0.005 0.000 0.266 80 K C 0.491 177.176 176.600 0.142 0.000 1.043 80 K CA 0.561 56.934 56.287 0.143 0.000 0.758 80 K CB -1.559 31.005 32.500 0.107 0.000 1.260 80 K HN 0.435 nan 8.250 nan 0.000 0.481 81 I N -0.226 120.450 120.570 0.176 0.000 2.163 81 I HA -0.285 3.888 4.170 0.005 0.000 0.243 81 I C 2.274 178.469 176.117 0.131 0.000 1.085 81 I CA 1.784 63.183 61.300 0.165 0.000 1.347 81 I CB -0.987 37.146 38.000 0.222 0.000 1.044 81 I HN 0.379 nan 8.210 nan 0.000 0.408 82 Y N 2.586 122.897 120.300 0.018 0.000 2.145 82 Y HA -0.238 4.315 4.550 0.005 0.000 0.286 82 Y C 2.537 178.450 175.900 0.023 0.000 1.145 82 Y CA 1.935 60.002 58.100 -0.054 0.000 1.148 82 Y CB -0.057 38.334 38.460 -0.115 0.000 0.981 82 Y HN 0.318 nan 8.280 nan 0.000 0.507 83 E N -1.128 119.114 120.200 0.069 0.000 2.230 83 E HA -0.078 4.275 4.350 0.005 0.000 0.192 83 E C 1.053 177.637 176.600 -0.026 0.000 0.987 83 E CA 0.922 57.322 56.400 0.000 0.000 0.841 83 E CB -0.403 29.367 29.700 0.117 0.000 0.783 83 E HN 0.448 nan 8.360 nan 0.000 0.481 84 N N 0.462 119.167 118.700 0.008 0.000 2.322 84 N HA 0.068 4.811 4.740 0.005 0.000 0.181 84 N C -0.035 175.477 175.510 0.004 0.000 1.088 84 N CA 0.080 53.137 53.050 0.011 0.000 0.885 84 N CB 0.602 39.108 38.487 0.033 0.000 1.013 84 N HN -0.083 nan 8.380 nan 0.000 0.472 85 S N 0.870 116.573 115.700 0.006 0.000 2.585 85 S HA -0.020 4.453 4.470 0.005 0.000 0.273 85 S C 0.058 174.674 174.600 0.028 0.000 1.339 85 S CA -0.467 57.755 58.200 0.037 0.000 1.028 85 S CB 0.801 64.088 63.200 0.145 0.000 0.906 85 S HN 0.215 nan 8.310 nan 0.000 0.528 86 D N 2.262 122.701 120.400 0.065 0.000 2.488 86 D HA -0.009 4.634 4.640 0.005 0.000 0.238 86 D C -1.359 174.962 176.300 0.035 0.000 1.138 86 D CA -1.258 52.795 54.000 0.088 0.000 0.873 86 D CB 0.937 41.824 40.800 0.145 0.000 1.183 86 D HN 0.162 nan 8.370 nan 0.000 0.458 87 P HA -0.090 nan 4.420 nan 0.000 0.222 87 P C 1.297 178.472 177.300 -0.208 0.000 1.147 87 P CA 0.827 63.798 63.100 -0.214 0.000 0.790 87 P CB 0.047 31.543 31.700 -0.340 0.000 0.780 88 G N -0.694 108.008 108.800 -0.164 0.000 2.422 88 G HA2 -0.248 3.715 3.960 0.005 0.000 0.218 88 G HA3 -0.248 3.715 3.960 0.005 0.000 0.218 88 G C 1.561 176.488 174.900 0.044 0.000 1.146 88 G CA 0.217 45.288 45.100 -0.049 0.000 0.769 88 G HN 0.281 nan 8.290 nan 0.000 0.547 89 W N 0.955 122.216 121.300 -0.065 0.000 2.381 89 W HA -0.094 4.569 4.660 0.006 0.000 0.301 89 W C 2.026 178.483 176.519 -0.103 0.000 1.205 89 W CA 0.683 57.983 57.345 -0.074 0.000 1.285 89 W CB -0.032 29.382 29.460 -0.077 0.000 1.133 89 W HN 0.085 nan 8.180 nan 0.000 0.521 90 I N 0.994 121.467 120.570 -0.162 0.000 2.286 90 I HA -0.261 3.912 4.170 0.005 0.000 0.248 90 I C 2.394 178.354 176.117 -0.260 0.000 1.115 90 I CA 1.367 62.549 61.300 -0.197 0.000 1.392 90 I CB -1.662 36.269 38.000 -0.115 0.000 1.065 90 I HN -0.107 nan 8.210 nan 0.000 0.418 91 S N 0.401 115.951 115.700 -0.250 0.000 2.399 91 S HA -0.134 4.339 4.470 0.005 0.000 0.231 91 S C 2.038 176.454 174.600 -0.307 0.000 1.022 91 S CA 1.598 59.660 58.200 -0.231 0.000 0.983 91 S CB -0.260 62.790 63.200 -0.249 0.000 0.803 91 S HN 0.494 nan 8.310 nan 0.000 0.480 92 T N 2.917 117.238 114.554 -0.389 0.000 2.746 92 T HA 0.020 4.373 4.350 0.005 0.000 0.267 92 T C 1.726 176.035 174.700 -0.652 0.000 1.039 92 T CA 0.969 62.763 62.100 -0.511 0.000 1.142 92 T CB -0.401 68.010 68.868 -0.762 0.000 0.866 92 T HN 0.277 nan 8.240 nan 0.000 0.444 93 L N 0.395 121.148 121.223 -0.783 0.000 2.046 93 L HA -0.121 4.222 4.340 0.005 0.000 0.208 93 L C 2.652 179.480 176.870 -0.071 0.000 1.077 93 L CA 1.486 55.988 54.840 -0.563 0.000 0.747 93 L CB -0.488 41.401 42.059 -0.283 0.000 0.896 93 L HN 0.221 nan 8.230 nan 0.000 0.432 94 K N -0.533 119.785 120.400 -0.136 0.000 2.057 94 K HA -0.170 4.153 4.320 0.005 0.000 0.207 94 K C 2.435 179.162 176.600 0.212 0.000 1.049 94 K CA 1.627 57.877 56.287 -0.061 0.000 0.931 94 K CB -0.252 32.109 32.500 -0.231 0.000 0.714 94 K HN 0.134 nan 8.250 nan 0.000 0.440 95 S N 0.317 115.901 115.700 -0.192 0.000 2.368 95 S HA -0.216 4.257 4.470 0.005 0.000 0.224 95 S C 1.996 176.510 174.600 -0.144 0.000 1.029 95 S CA 1.459 59.331 58.200 -0.546 0.000 0.988 95 S CB -0.260 62.186 63.200 -1.256 0.000 0.838 95 S HN 0.449 nan 8.310 nan 0.000 0.462 96 H N -0.564 118.369 119.070 -0.228 0.000 2.270 96 H HA -0.082 4.477 4.556 0.005 0.000 0.299 96 H C 1.794 177.143 175.328 0.036 0.000 1.077 96 H CA 2.479 58.427 56.048 -0.167 0.000 1.294 96 H CB -0.585 28.990 29.762 -0.312 0.000 1.371 96 H HN 0.503 nan 8.280 nan 0.000 0.491 97 Y N -0.030 120.447 120.300 0.295 0.000 2.224 97 Y HA -0.039 4.514 4.550 0.005 0.000 0.289 97 Y C 2.851 178.866 175.900 0.191 0.000 1.146 97 Y CA 1.258 59.532 58.100 0.290 0.000 1.182 97 Y CB -0.843 37.870 38.460 0.423 0.000 0.983 97 Y HN 0.412 nan 8.280 nan 0.000 0.524 98 G N -0.682 108.363 108.800 0.408 0.000 2.418 98 G HA2 -0.190 3.773 3.960 0.005 0.000 0.217 98 G HA3 -0.190 3.773 3.960 0.005 0.000 0.217 98 G C 1.856 176.913 174.900 0.262 0.000 1.158 98 G CA 0.914 46.119 45.100 0.175 0.000 0.771 98 G HN 0.456 nan 8.290 nan 0.000 0.545 99 A N -0.247 122.812 122.820 0.398 0.000 2.067 99 A HA 0.314 4.637 4.320 0.005 0.000 0.217 99 A C 2.095 179.853 177.584 0.290 0.000 1.156 99 A CA 0.861 53.105 52.037 0.345 0.000 0.683 99 A CB -0.012 19.092 19.000 0.173 0.000 0.808 99 A HN 0.314 nan 8.150 nan 0.000 0.455 100 I N -1.828 118.819 120.570 0.129 0.000 3.565 100 I HA 0.115 4.288 4.170 0.005 0.000 0.287 100 I C 2.663 178.800 176.117 0.033 0.000 1.193 100 I CA 1.083 62.434 61.300 0.086 0.000 1.402 100 I CB -1.259 36.685 38.000 -0.092 0.000 1.284 100 I HN 0.259 nan 8.210 nan 0.000 0.454 101 A N 1.223 124.083 122.820 0.067 0.000 1.865 101 A HA -0.152 4.171 4.320 0.005 0.000 0.217 101 A C 2.352 179.891 177.584 -0.074 0.000 1.191 101 A CA 2.142 54.242 52.037 0.105 0.000 0.623 101 A CB -0.894 18.223 19.000 0.194 0.000 0.826 101 A HN 0.209 nan 8.150 nan 0.000 0.444 102 V N -0.336 119.340 119.914 -0.397 0.000 2.951 102 V HA -0.036 4.087 4.120 0.005 0.000 0.255 102 V C 2.652 178.256 176.094 -0.818 0.000 1.088 102 V CA 1.328 63.281 62.300 -0.579 0.000 1.109 102 V CB -0.908 30.496 31.823 -0.698 0.000 0.724 102 V HN 0.626 nan 8.190 nan 0.000 0.471 103 G N -0.278 107.800 108.800 -1.204 0.000 2.408 103 G HA2 -0.180 3.783 3.960 0.005 0.000 0.217 103 G HA3 -0.180 3.783 3.960 0.005 0.000 0.217 103 G C 1.445 176.326 174.900 -0.031 0.000 1.150 103 G CA 0.476 45.043 45.100 -0.887 0.000 0.776 103 G HN 0.471 nan 8.290 nan 0.000 0.542 104 E N -0.104 120.159 120.200 0.104 0.000 2.085 104 E HA -0.183 4.170 4.350 0.005 0.000 0.194 104 E C 2.071 178.778 176.600 0.178 0.000 0.994 104 E CA 0.996 57.552 56.400 0.260 0.000 0.801 104 E CB -0.345 29.541 29.700 0.311 0.000 0.743 104 E HN 0.583 nan 8.360 nan 0.000 0.453 105 Y N 1.277 121.583 120.300 0.011 0.000 2.242 105 Y HA -0.141 4.412 4.550 0.005 0.000 0.291 105 Y C 2.294 178.196 175.900 0.004 0.000 1.137 105 Y CA 1.228 59.332 58.100 0.007 0.000 1.181 105 Y CB -0.310 38.139 38.460 -0.019 0.000 0.989 105 Y HN 0.007 nan 8.280 nan 0.000 0.527 106 A N 0.425 123.235 122.820 -0.016 0.000 1.940 106 A HA -0.157 4.166 4.320 0.005 0.000 0.219 106 A C 2.404 179.988 177.584 0.001 0.000 1.176 106 A CA 1.767 53.796 52.037 -0.014 0.000 0.631 106 A CB -1.437 17.608 19.000 0.076 0.000 0.814 106 A HN 0.566 nan 8.150 nan 0.000 0.446 107 A N -0.464 122.407 122.820 0.086 0.000 2.024 107 A HA 0.011 4.334 4.320 0.005 0.000 0.220 107 A C 2.131 179.676 177.584 -0.065 0.000 1.164 107 A CA 1.608 53.682 52.037 0.063 0.000 0.643 107 A CB -0.877 18.216 19.000 0.155 0.000 0.806 107 A HN 0.414 nan 8.150 nan 0.000 0.451 108 V N -0.383 119.432 119.914 -0.165 0.000 2.324 108 V HA -0.284 3.839 4.120 0.005 0.000 0.250 108 V C 2.703 178.694 176.094 -0.172 0.000 1.060 108 V CA 2.582 64.746 62.300 -0.226 0.000 1.042 108 V CB -1.286 30.292 31.823 -0.409 0.000 0.650 108 V HN 0.612 nan 8.190 nan 0.000 0.450 109 T N 0.049 114.508 114.554 -0.158 0.000 2.821 109 T HA -0.062 4.291 4.350 0.005 0.000 0.267 109 T C 1.901 176.572 174.700 -0.048 0.000 1.046 109 T CA 1.367 63.413 62.100 -0.090 0.000 1.139 109 T CB -0.532 68.295 68.868 -0.068 0.000 0.871 109 T HN 0.641 nan 8.240 nan 0.000 0.454 110 G N 1.581 110.356 108.800 -0.042 0.000 2.418 110 G HA2 -0.201 3.762 3.960 0.005 0.000 0.217 110 G HA3 -0.201 3.762 3.960 0.005 0.000 0.217 110 G C 1.566 176.448 174.900 -0.029 0.000 1.158 110 G CA 0.553 45.636 45.100 -0.027 0.000 0.771 110 G HN 0.382 nan 8.290 nan 0.000 0.545 111 E N 0.679 120.841 120.200 -0.063 0.000 2.072 111 E HA -0.073 4.280 4.350 0.005 0.000 0.191 111 E C 2.798 179.360 176.600 -0.063 0.000 0.985 111 E CA 1.014 57.367 56.400 -0.078 0.000 0.801 111 E CB -0.757 28.858 29.700 -0.142 0.000 0.750 111 E HN 0.374 nan 8.360 nan 0.000 0.452 112 G N 1.255 110.016 108.800 -0.066 0.000 2.432 112 G HA2 -0.304 3.659 3.960 0.005 0.000 0.219 112 G HA3 -0.304 3.659 3.960 0.005 0.000 0.219 112 G C 1.785 176.682 174.900 -0.004 0.000 1.135 112 G CA 0.791 45.858 45.100 -0.055 0.000 0.767 112 G HN 0.155 nan 8.290 nan 0.000 0.550 113 R N -0.001 120.525 120.500 0.043 0.000 2.081 113 R HA 0.083 4.426 4.340 0.005 0.000 0.235 113 R C 2.642 179.035 176.300 0.155 0.000 1.131 113 R CA 1.477 57.669 56.100 0.155 0.000 0.960 113 R CB -0.361 29.993 30.300 0.091 0.000 0.856 113 R HN 0.408 nan 8.270 nan 0.000 0.436 114 M N -1.092 118.539 119.600 0.052 0.000 2.156 114 M HA 0.006 4.489 4.480 0.005 0.000 0.264 114 M C 2.263 178.550 176.300 -0.021 0.000 1.067 114 M CA 1.547 56.857 55.300 0.018 0.000 1.131 114 M CB -0.224 32.375 32.600 -0.002 0.000 1.368 114 M HN 0.273 nan 8.290 nan 0.000 0.416 115 A N 0.467 123.259 122.820 -0.048 0.000 1.972 115 A HA -0.196 4.127 4.320 0.005 0.000 0.219 115 A C 2.155 179.669 177.584 -0.117 0.000 1.169 115 A CA 1.983 53.969 52.037 -0.086 0.000 0.635 115 A CB -0.481 18.455 19.000 -0.106 0.000 0.810 115 A HN 0.395 nan 8.150 nan 0.000 0.446 116 R N -1.716 118.677 120.500 -0.178 0.000 2.105 116 R HA 0.177 4.520 4.340 0.005 0.000 0.214 116 R C 0.966 177.025 176.300 -0.401 0.000 1.091 116 R CA 1.409 57.263 56.100 -0.410 0.000 1.007 116 R CB -0.549 29.305 30.300 -0.743 0.000 0.912 116 R HN 0.382 nan 8.270 nan 0.000 0.450 117 F N -0.046 119.922 119.950 0.030 0.000 2.721 117 F HA 0.421 4.951 4.527 0.005 0.000 0.301 117 F C 0.719 176.570 175.800 0.085 0.000 1.096 117 F CA -0.090 57.977 58.000 0.111 0.000 1.308 117 F CB 0.108 39.126 39.000 0.031 0.000 1.086 117 F HN -0.100 nan 8.300 nan 0.000 0.587 118 S N 0.793 116.532 115.700 0.063 0.000 2.549 118 S HA 0.084 4.557 4.470 0.005 0.000 0.279 118 S C 1.273 175.600 174.600 -0.455 0.000 1.321 118 S CA -0.372 57.688 58.200 -0.232 0.000 1.054 118 S CB 0.727 63.774 63.200 -0.255 0.000 0.899 118 S HN 0.284 nan 8.310 nan 0.000 0.497 119 K N 2.630 122.461 120.400 -0.949 0.000 2.486 119 K HA 0.111 4.434 4.320 0.005 0.000 0.194 119 K C 0.537 176.752 176.600 -0.642 0.000 1.033 119 K CA 0.373 55.943 56.287 -1.196 0.000 1.004 119 K CB 0.042 31.567 32.500 -1.625 0.000 0.798 119 K HN 0.630 nan 8.250 nan 0.000 0.495 120 A N 2.015 124.539 122.820 -0.493 0.000 2.269 120 A HA 0.256 4.579 4.320 0.005 0.000 0.302 120 A C -2.021 175.422 177.584 -0.234 0.000 1.266 120 A CA -1.507 50.388 52.037 -0.237 0.000 0.894 120 A CB 0.517 19.261 19.000 -0.427 0.000 1.147 120 A HN -0.076 nan 8.150 nan 0.000 0.537 121 P HA -0.117 nan 4.420 nan 0.000 0.217 121 P C 1.715 179.020 177.300 0.009 0.000 1.150 121 P CA 1.840 64.933 63.100 -0.012 0.000 0.832 121 P CB 0.227 31.961 31.700 0.057 0.000 0.787 122 G N -0.290 108.557 108.800 0.079 0.000 2.422 122 G HA2 -0.288 3.675 3.960 0.005 0.000 0.218 122 G HA3 -0.288 3.675 3.960 0.005 0.000 0.218 122 G C 1.698 176.684 174.900 0.142 0.000 1.146 122 G CA 0.720 45.959 45.100 0.232 0.000 0.769 122 G HN 0.252 nan 8.290 nan 0.000 0.547 123 N N 0.870 119.413 118.700 -0.262 0.000 2.120 123 N HA -0.065 4.678 4.740 0.005 0.000 0.188 123 N C 2.292 177.747 175.510 -0.092 0.000 1.024 123 N CA 0.921 53.810 53.050 -0.269 0.000 0.852 123 N CB -0.321 37.750 38.487 -0.694 0.000 1.003 123 N HN 0.295 nan 8.380 nan 0.000 0.424 124 R N -0.190 120.245 120.500 -0.109 0.000 2.096 124 R HA -0.017 4.326 4.340 0.005 0.000 0.235 124 R C 1.501 177.768 176.300 -0.055 0.000 1.127 124 R CA 1.286 57.344 56.100 -0.070 0.000 0.968 124 R CB -0.290 29.977 30.300 -0.054 0.000 0.861 124 R HN 0.325 nan 8.270 nan 0.000 0.440 125 N N 0.232 118.926 118.700 -0.010 0.000 2.135 125 N HA -0.066 4.677 4.740 0.005 0.000 0.186 125 N C 1.713 177.244 175.510 0.035 0.000 1.027 125 N CA 1.138 54.176 53.050 -0.020 0.000 0.849 125 N CB -0.118 38.413 38.487 0.075 0.000 1.002 125 N HN 0.062 nan 8.380 nan 0.000 0.425 126 M N 0.678 120.394 119.600 0.194 0.000 2.213 126 M HA 0.029 4.512 4.480 0.005 0.000 0.263 126 M C 1.947 178.344 176.300 0.162 0.000 1.062 126 M CA 0.748 56.226 55.300 0.297 0.000 1.105 126 M CB -1.258 31.537 32.600 0.324 0.000 1.385 126 M HN 0.120 nan 8.290 nan 0.000 0.417 127 A N -0.486 122.365 122.820 0.050 0.000 2.015 127 A HA -0.089 4.234 4.320 0.005 0.000 0.219 127 A C 2.295 179.816 177.584 -0.104 0.000 1.163 127 A CA 1.837 53.861 52.037 -0.022 0.000 0.646 127 A CB -0.891 18.089 19.000 -0.033 0.000 0.806 127 A HN 0.463 nan 8.150 nan 0.000 0.448 128 T N -0.204 114.239 114.554 -0.185 0.000 2.737 128 T HA -0.101 4.252 4.350 0.005 0.000 0.265 128 T C 1.455 175.923 174.700 -0.386 0.000 1.038 128 T CA 1.623 63.532 62.100 -0.319 0.000 1.144 128 T CB -0.447 68.155 68.868 -0.443 0.000 0.866 128 T HN 0.435 nan 8.240 nan 0.000 0.434 129 F N 1.641 121.482 119.950 -0.182 0.000 2.171 129 F HA 0.087 4.617 4.527 0.005 0.000 0.300 129 F C 2.657 178.359 175.800 -0.164 0.000 1.090 129 F CA 0.622 58.423 58.000 -0.330 0.000 1.293 129 F CB -1.289 37.521 39.000 -0.317 0.000 1.013 129 F HN 0.223 nan 8.300 nan 0.000 0.486 130 G N -0.284 108.528 108.800 0.020 0.000 2.418 130 G HA2 -0.246 3.717 3.960 0.005 0.000 0.217 130 G HA3 -0.246 3.717 3.960 0.005 0.000 0.217 130 G C 1.708 176.473 174.900 -0.226 0.000 1.158 130 G CA 0.875 45.854 45.100 -0.201 0.000 0.771 130 G HN 0.253 nan 8.290 nan 0.000 0.545 131 M N -0.068 119.438 119.600 -0.158 0.000 2.080 131 M HA -0.047 4.436 4.480 0.005 0.000 0.260 131 M C 2.716 178.963 176.300 -0.089 0.000 1.068 131 M CA 1.351 56.569 55.300 -0.138 0.000 1.109 131 M CB -0.302 32.222 32.600 -0.126 0.000 1.342 131 M HN 0.124 nan 8.290 nan 0.000 0.405 132 M N -0.029 119.544 119.600 -0.045 0.000 2.117 132 M HA -0.186 4.297 4.480 0.005 0.000 0.262 132 M C 1.567 177.923 176.300 0.095 0.000 1.065 132 M CA 1.649 56.987 55.300 0.063 0.000 1.114 132 M CB -1.273 31.390 32.600 0.106 0.000 1.361 132 M HN 0.201 nan 8.290 nan 0.000 0.408 133 D N 0.430 120.876 120.400 0.077 0.000 2.104 133 D HA -0.153 4.490 4.640 0.005 0.000 0.194 133 D C 1.978 178.005 176.300 -0.456 0.000 0.994 133 D CA 1.139 55.098 54.000 -0.068 0.000 0.830 133 D CB -0.202 40.670 40.800 0.119 0.000 0.959 133 D HN 0.343 nan 8.370 nan 0.000 0.452 134 E N 0.298 120.323 120.200 -0.291 0.000 2.152 134 E HA -0.103 4.250 4.350 0.005 0.000 0.192 134 E C 2.247 178.826 176.600 -0.035 0.000 0.983 134 E CA 0.040 56.324 56.400 -0.194 0.000 0.818 134 E CB -0.302 29.338 29.700 -0.100 0.000 0.758 134 E HN 0.230 nan 8.360 nan 0.000 0.467 135 L N 1.737 122.956 121.223 -0.005 0.000 2.017 135 L HA -0.158 4.185 4.340 0.005 0.000 0.208 135 L C 2.548 179.517 176.870 0.165 0.000 1.073 135 L CA 1.803 56.722 54.840 0.130 0.000 0.745 135 L CB -0.411 41.720 42.059 0.121 0.000 0.894 135 L HN -0.037 nan 8.230 nan 0.000 0.432 136 R N -1.320 119.240 120.500 0.101 0.000 2.096 136 R HA -0.220 4.123 4.340 0.005 0.000 0.240 136 R C 2.304 178.768 176.300 0.273 0.000 1.139 136 R CA 2.248 58.449 56.100 0.168 0.000 0.952 136 R CB -0.556 29.831 30.300 0.145 0.000 0.854 136 R HN 0.637 nan 8.270 nan 0.000 0.436 137 H N -1.822 117.355 119.070 0.178 0.000 2.389 137 H HA -0.018 4.541 4.556 0.005 0.000 0.299 137 H C 2.038 177.497 175.328 0.219 0.000 1.081 137 H CA 0.468 56.626 56.048 0.184 0.000 1.345 137 H CB -0.051 29.820 29.762 0.182 0.000 1.393 137 H HN 0.471 nan 8.280 nan 0.000 0.520 138 G N 0.617 109.625 108.800 0.347 0.000 2.418 138 G HA2 -0.242 3.720 3.960 0.005 0.000 0.217 138 G HA3 -0.242 3.720 3.960 0.005 0.000 0.217 138 G C 1.487 176.552 174.900 0.276 0.000 1.158 138 G CA 0.478 45.763 45.100 0.307 0.000 0.771 138 G HN 0.399 nan 8.290 nan 0.000 0.545 139 Q N -0.310 119.654 119.800 0.272 0.000 2.079 139 Q HA 0.095 4.438 4.340 0.005 0.000 0.200 139 Q C 2.695 178.897 176.000 0.338 0.000 0.974 139 Q CA 0.648 56.609 55.803 0.262 0.000 0.840 139 Q CB -0.217 28.656 28.738 0.224 0.000 0.898 139 Q HN 0.419 nan 8.270 nan 0.000 0.430 140 L N 0.484 121.895 121.223 0.314 0.000 2.046 140 L HA -0.234 4.109 4.340 0.005 0.000 0.208 140 L C 2.160 179.236 176.870 0.343 0.000 1.077 140 L CA 1.376 56.389 54.840 0.287 0.000 0.747 140 L CB -0.207 41.881 42.059 0.049 0.000 0.896 140 L HN 0.255 nan 8.230 nan 0.000 0.432 141 Q N -0.724 119.273 119.800 0.328 0.000 2.444 141 Q HA 0.006 4.348 4.340 0.005 0.000 0.206 141 Q C 2.023 178.214 176.000 0.318 0.000 0.948 141 Q CA 0.390 56.442 55.803 0.416 0.000 0.946 141 Q CB 0.328 29.364 28.738 0.496 0.000 1.027 141 Q HN 0.542 nan 8.270 nan 0.000 0.513 142 L N -1.410 119.989 121.223 0.293 0.000 2.221 142 L HA 0.010 4.353 4.340 0.005 0.000 0.202 142 L C 1.881 178.899 176.870 0.247 0.000 1.074 142 L CA 0.389 55.372 54.840 0.239 0.000 0.795 142 L CB -0.204 41.988 42.059 0.222 0.000 0.960 142 L HN 0.194 nan 8.230 nan 0.000 0.458 143 F N 0.347 120.425 119.950 0.213 0.000 2.134 143 F HA -0.238 4.292 4.527 0.005 0.000 0.299 143 F C 2.177 178.091 175.800 0.191 0.000 1.097 143 F CA 1.551 59.676 58.000 0.210 0.000 1.264 143 F CB -0.122 39.084 39.000 0.344 0.000 1.001 143 F HN -0.120 nan 8.300 nan 0.000 0.479 144 F N 1.216 121.252 119.950 0.144 0.000 2.075 144 F HA -0.094 4.435 4.527 0.005 0.000 0.297 144 F C -0.246 175.391 175.800 -0.273 0.000 1.113 144 F CA 1.312 59.311 58.000 -0.001 0.000 1.218 144 F CB -2.323 36.771 39.000 0.156 0.000 0.984 144 F HN -0.007 nan 8.300 nan 0.000 0.472 145 P HA -0.172 nan 4.420 nan 0.000 0.229 145 P C 1.563 178.716 177.300 -0.245 0.000 1.160 145 P CA 1.462 64.359 63.100 -0.337 0.000 0.777 145 P CB -0.430 31.059 31.700 -0.351 0.000 0.814 146 H N 2.352 121.255 119.070 -0.278 0.000 2.390 146 H HA -0.173 4.386 4.556 0.005 0.000 0.298 146 H C 1.673 176.776 175.328 -0.375 0.000 1.106 146 H CA 2.165 58.048 56.048 -0.274 0.000 1.297 146 H CB 0.031 29.607 29.762 -0.310 0.000 1.375 146 H HN 0.292 nan 8.280 nan 0.000 0.509 147 E N -0.553 119.317 120.200 -0.550 0.000 2.347 147 E HA -0.165 4.188 4.350 0.005 0.000 0.196 147 E C 1.092 177.245 176.600 -0.745 0.000 1.008 147 E CA 0.831 56.837 56.400 -0.658 0.000 0.852 147 E CB -0.368 28.904 29.700 -0.713 0.000 0.783 147 E HN 0.461 nan 8.360 nan 0.000 0.505 148 Y N 0.135 120.130 120.300 -0.508 0.000 2.511 148 Y HA 0.118 4.670 4.550 0.005 0.000 0.279 148 Y C 2.048 177.736 175.900 -0.352 0.000 1.157 148 Y CA -0.760 56.976 58.100 -0.606 0.000 1.300 148 Y CB -0.274 37.429 38.460 -1.261 0.000 1.052 148 Y HN 0.220 nan 8.280 nan 0.000 0.529 149 C N 0.916 120.099 119.300 -0.196 0.000 2.398 149 C HA -0.243 4.220 4.460 0.005 0.000 0.276 149 C C 2.636 177.572 174.990 -0.090 0.000 1.222 149 C CA 1.871 60.833 59.018 -0.093 0.000 1.746 149 C CB -0.970 26.615 27.740 -0.258 0.000 2.039 149 C HN 0.632 nan 8.230 nan 0.000 0.470 150 K N 0.708 121.003 120.400 -0.175 0.000 2.442 150 K HA -0.098 4.225 4.320 0.005 0.000 0.198 150 K C 1.575 178.121 176.600 -0.090 0.000 1.042 150 K CA 1.319 57.531 56.287 -0.125 0.000 0.958 150 K CB -0.185 32.225 32.500 -0.149 0.000 0.766 150 K HN 0.486 nan 8.250 nan 0.000 0.474 151 K N -0.174 120.156 120.400 -0.117 0.000 2.335 151 K HA 0.059 4.382 4.320 0.005 0.000 0.195 151 K C -0.234 176.333 176.600 -0.055 0.000 1.058 151 K CA 0.274 56.454 56.287 -0.177 0.000 0.988 151 K CB 0.482 32.664 32.500 -0.530 0.000 0.880 151 K HN 0.108 nan 8.250 nan 0.000 0.513 152 D N -0.135 120.311 120.400 0.075 0.000 2.688 152 D HA 0.126 4.769 4.640 0.005 0.000 0.210 152 D C 0.029 176.489 176.300 0.266 0.000 1.333 152 D CA -0.147 53.987 54.000 0.224 0.000 0.920 152 D CB 1.135 42.168 40.800 0.388 0.000 1.554 152 D HN -0.162 nan 8.370 nan 0.000 0.579 153 R N 1.498 122.127 120.500 0.215 0.000 2.193 153 R HA -0.092 4.251 4.340 0.005 0.000 0.229 153 R C 1.718 178.222 176.300 0.340 0.000 1.110 153 R CA 1.076 57.320 56.100 0.241 0.000 0.988 153 R CB 0.237 30.667 30.300 0.216 0.000 0.871 153 R HN 0.515 nan 8.270 nan 0.000 0.458 154 Q N -0.533 119.437 119.800 0.283 0.000 2.291 154 Q HA -0.140 4.203 4.340 0.005 0.000 0.206 154 Q C 1.222 177.377 176.000 0.259 0.000 0.976 154 Q CA 1.161 57.121 55.803 0.262 0.000 0.875 154 Q CB -0.015 28.771 28.738 0.079 0.000 0.927 154 Q HN 0.306 nan 8.270 nan 0.000 0.450 155 F N 0.387 120.524 119.950 0.311 0.000 2.502 155 F HA -0.102 4.428 4.527 0.005 0.000 0.298 155 F C 1.727 177.666 175.800 0.231 0.000 1.111 155 F CA 0.833 58.995 58.000 0.270 0.000 1.445 155 F CB -0.088 39.033 39.000 0.202 0.000 1.081 155 F HN 0.074 nan 8.300 nan 0.000 0.558 156 D N -0.883 119.740 120.400 0.372 0.000 2.221 156 D HA -0.236 4.407 4.640 0.005 0.000 0.204 156 D C 1.685 178.076 176.300 0.151 0.000 0.982 156 D CA 1.194 55.329 54.000 0.226 0.000 0.857 156 D CB -0.211 40.667 40.800 0.129 0.000 0.934 156 D HN 0.282 nan 8.370 nan 0.000 0.475 157 W N 0.623 121.912 121.300 -0.017 0.000 2.699 157 W HA 0.212 4.875 4.660 0.005 0.000 0.249 157 W C 2.350 178.698 176.519 -0.285 0.000 1.280 157 W CA 0.665 57.816 57.345 -0.323 0.000 1.345 157 W CB -0.442 28.566 29.460 -0.754 0.000 1.128 157 W HN -0.004 nan 8.180 nan 0.000 0.642 158 A N -0.664 122.265 122.820 0.181 0.000 1.940 158 A HA -0.229 4.094 4.320 0.005 0.000 0.219 158 A C 1.677 179.351 177.584 0.150 0.000 1.176 158 A CA 1.720 53.888 52.037 0.218 0.000 0.631 158 A CB -1.094 18.095 19.000 0.315 0.000 0.814 158 A HN 0.524 nan 8.150 nan 0.000 0.446 159 W N -0.397 120.902 121.300 -0.002 0.000 2.574 159 W HA 0.116 4.778 4.660 0.003 0.000 0.282 159 W C 2.283 178.769 176.519 -0.054 0.000 1.197 159 W CA 1.020 58.351 57.345 -0.023 0.000 1.376 159 W CB -0.036 29.406 29.460 -0.030 0.000 1.091 159 W HN 0.173 nan 8.180 nan 0.000 0.569 160 R N 0.501 120.767 120.500 -0.389 0.000 2.115 160 R HA -0.052 4.291 4.340 0.005 0.000 0.226 160 R C 2.262 178.106 176.300 -0.760 0.000 1.100 160 R CA 1.271 56.867 56.100 -0.841 0.000 0.980 160 R CB -0.542 29.189 30.300 -0.948 0.000 0.875 160 R HN 0.208 nan 8.270 nan 0.000 0.445 161 A N 0.439 122.930 122.820 -0.548 0.000 1.884 161 A HA -0.234 4.089 4.320 0.005 0.000 0.219 161 A C 1.726 179.134 177.584 -0.294 0.000 1.197 161 A CA 1.541 53.346 52.037 -0.386 0.000 0.637 161 A CB -0.945 17.688 19.000 -0.610 0.000 0.827 161 A HN 0.455 nan 8.150 nan 0.000 0.450 162 Y N -0.522 119.494 120.300 -0.474 0.000 2.571 162 Y HA -0.084 4.469 4.550 0.005 0.000 0.294 162 Y C 2.090 177.651 175.900 -0.565 0.000 1.141 162 Y CA 1.101 58.925 58.100 -0.459 0.000 1.308 162 Y CB -0.198 37.967 38.460 -0.491 0.000 1.002 162 Y HN 0.496 nan 8.280 nan 0.000 0.551 163 H N -1.367 117.479 119.070 -0.373 0.000 2.539 163 H HA 0.208 4.768 4.556 0.005 0.000 0.269 163 H C 0.920 176.055 175.328 -0.322 0.000 0.980 163 H CA 0.591 56.411 56.048 -0.380 0.000 1.152 163 H CB 0.242 29.639 29.762 -0.608 0.000 1.407 163 H HN 0.228 nan 8.280 nan 0.000 0.564 164 S N 0.122 115.685 115.700 -0.229 0.000 2.718 164 S HA 0.237 4.710 4.470 0.005 0.000 0.300 164 S C 0.641 175.171 174.600 -0.116 0.000 1.117 164 S CA -0.891 57.195 58.200 -0.191 0.000 1.002 164 S CB 1.808 64.904 63.200 -0.173 0.000 1.092 164 S HN 0.082 nan 8.310 nan 0.000 0.542 165 N N 1.044 119.668 118.700 -0.127 0.000 2.321 165 N HA 0.163 4.906 4.740 0.005 0.000 0.242 165 N C -0.302 175.268 175.510 0.099 0.000 1.141 165 N CA -0.143 52.867 53.050 -0.066 0.000 0.864 165 N CB 0.178 38.466 38.487 -0.332 0.000 1.100 165 N HN 0.699 nan 8.380 nan 0.000 0.510 166 E N 1.202 121.485 120.200 0.138 0.000 2.413 166 E HA -0.090 4.263 4.350 0.005 0.000 0.263 166 E C 1.126 177.839 176.600 0.187 0.000 1.015 166 E CA -0.354 56.185 56.400 0.233 0.000 0.916 166 E CB 0.641 30.501 29.700 0.266 0.000 0.947 166 E HN 0.360 nan 8.360 nan 0.000 0.440 167 W N 4.290 125.706 121.300 0.194 0.000 2.363 167 W HA -0.144 4.519 4.660 0.004 0.000 0.296 167 W C 1.140 177.727 176.519 0.114 0.000 1.212 167 W CA 1.070 58.489 57.345 0.124 0.000 1.260 167 W CB -0.898 28.590 29.460 0.047 0.000 1.131 167 W HN 0.503 nan 8.180 nan 0.000 0.530 168 A N 1.626 123.885 122.820 -0.935 0.000 1.968 168 A HA 0.154 4.477 4.320 0.005 0.000 0.217 168 A C 2.337 179.803 177.584 -0.198 0.000 1.169 168 A CA 2.304 53.813 52.037 -0.880 0.000 0.638 168 A CB -1.022 17.308 19.000 -1.116 0.000 0.812 168 A HN 0.347 nan 8.150 nan 0.000 0.446 169 A N 0.079 122.889 122.820 -0.018 0.000 1.930 169 A HA -0.024 4.299 4.320 0.005 0.000 0.217 169 A C 2.064 179.568 177.584 -0.133 0.000 1.175 169 A CA 1.350 53.330 52.037 -0.095 0.000 0.627 169 A CB -0.531 18.427 19.000 -0.071 0.000 0.815 169 A HN 0.486 nan 8.150 nan 0.000 0.443 170 I N -0.272 120.308 120.570 0.018 0.000 2.226 170 I HA -0.275 3.898 4.170 0.005 0.000 0.245 170 I C 2.993 179.195 176.117 0.142 0.000 1.100 170 I CA 1.018 62.387 61.300 0.116 0.000 1.374 170 I CB -0.400 37.735 38.000 0.225 0.000 1.057 170 I HN 0.364 nan 8.210 nan 0.000 0.413 171 A N 0.890 123.782 122.820 0.120 0.000 1.908 171 A HA -0.213 4.110 4.320 0.005 0.000 0.218 171 A C 2.549 180.231 177.584 0.164 0.000 1.181 171 A CA 2.077 54.193 52.037 0.131 0.000 0.627 171 A CB -0.859 18.199 19.000 0.096 0.000 0.818 171 A HN 0.446 nan 8.150 nan 0.000 0.445 172 A N -0.382 122.482 122.820 0.073 0.000 1.877 172 A HA -0.152 4.171 4.320 0.005 0.000 0.216 172 A C 2.133 179.852 177.584 0.226 0.000 1.186 172 A CA 1.792 53.917 52.037 0.148 0.000 0.620 172 A CB -0.426 18.492 19.000 -0.135 0.000 0.822 172 A HN 0.532 nan 8.150 nan 0.000 0.443 173 K N -1.421 118.969 120.400 -0.017 0.000 2.148 173 K HA -0.136 4.188 4.320 0.005 0.000 0.204 173 K C 2.099 178.816 176.600 0.194 0.000 1.050 173 K CA 1.127 57.446 56.287 0.055 0.000 0.942 173 K CB -0.292 32.175 32.500 -0.055 0.000 0.724 173 K HN 0.662 nan 8.250 nan 0.000 0.446 174 H N -0.010 119.136 119.070 0.128 0.000 2.389 174 H HA -0.127 4.432 4.556 0.005 0.000 0.299 174 H C 1.894 177.326 175.328 0.173 0.000 1.081 174 H CA 1.413 57.523 56.048 0.103 0.000 1.345 174 H CB 0.016 29.817 29.762 0.065 0.000 1.393 174 H HN 0.131 nan 8.280 nan 0.000 0.520 175 F N 0.477 120.576 119.950 0.249 0.000 2.060 175 F HA -0.126 4.404 4.527 0.005 0.000 0.295 175 F C 2.173 178.001 175.800 0.047 0.000 1.120 175 F CA 1.272 59.351 58.000 0.133 0.000 1.205 175 F CB -1.134 37.913 39.000 0.079 0.000 0.986 175 F HN 0.009 nan 8.300 nan 0.000 0.470 176 F N 1.114 120.949 119.950 -0.192 0.000 2.126 176 F HA -0.250 4.280 4.527 0.006 0.000 0.299 176 F C 2.306 177.970 175.800 -0.226 0.000 1.096 176 F CA 1.794 59.634 58.000 -0.265 0.000 1.255 176 F CB -0.541 38.486 39.000 0.045 0.000 0.997 176 F HN 0.007 nan 8.300 nan 0.000 0.479 177 D N -0.457 119.977 120.400 0.057 0.000 2.224 177 D HA -0.153 4.490 4.640 0.005 0.000 0.205 177 D C 1.792 178.014 176.300 -0.130 0.000 0.965 177 D CA 1.092 55.075 54.000 -0.027 0.000 0.852 177 D CB -0.457 40.332 40.800 -0.017 0.000 0.947 177 D HN 0.239 nan 8.370 nan 0.000 0.494 178 D N 0.280 120.571 120.400 -0.181 0.000 2.103 178 D HA -0.078 4.565 4.640 0.005 0.000 0.199 178 D C 2.050 178.228 176.300 -0.203 0.000 0.978 178 D CA 0.665 54.558 54.000 -0.179 0.000 0.829 178 D CB 0.102 40.862 40.800 -0.067 0.000 0.981 178 D HN 0.384 nan 8.370 nan 0.000 0.464 179 I N -2.833 117.524 120.570 -0.355 0.000 3.645 179 I HA 0.220 4.393 4.170 0.005 0.000 0.300 179 I C 1.706 177.661 176.117 -0.270 0.000 1.260 179 I CA 0.294 61.387 61.300 -0.345 0.000 1.365 179 I CB 0.200 37.865 38.000 -0.559 0.000 1.077 179 I HN -0.080 nan 8.210 nan 0.000 0.439 180 I N 0.978 121.389 120.570 -0.264 0.000 3.366 180 I HA 0.013 4.186 4.170 0.005 0.000 0.267 180 I C 2.141 178.211 176.117 -0.078 0.000 1.149 180 I CA 1.211 62.419 61.300 -0.153 0.000 1.436 180 I CB -0.006 37.913 38.000 -0.134 0.000 1.379 180 I HN 0.279 nan 8.210 nan 0.000 0.460 181 T N -2.439 112.079 114.554 -0.060 0.000 3.022 181 T HA 0.174 4.527 4.350 0.005 0.000 0.250 181 T C 1.461 176.126 174.700 -0.059 0.000 1.060 181 T CA 0.545 62.623 62.100 -0.036 0.000 1.013 181 T CB 0.282 69.149 68.868 -0.002 0.000 0.982 181 T HN 0.296 nan 8.240 nan 0.000 0.508 182 G N 0.643 109.389 108.800 -0.090 0.000 3.277 182 G HA2 0.445 4.408 3.960 0.005 0.000 0.243 182 G HA3 0.445 4.408 3.960 0.005 0.000 0.243 182 G C 0.343 175.167 174.900 -0.128 0.000 1.107 182 G CA -0.663 44.370 45.100 -0.111 0.000 0.771 182 G HN 0.375 nan 8.290 nan 0.000 0.544 183 R N -0.040 120.392 120.500 -0.113 0.000 2.855 183 R HA 0.388 4.731 4.340 0.005 0.000 0.266 183 R C -1.021 175.215 176.300 -0.107 0.000 1.034 183 R CA -0.845 55.186 56.100 -0.114 0.000 0.944 183 R CB 1.197 31.439 30.300 -0.097 0.000 1.219 183 R HN 0.273 nan 8.270 nan 0.000 0.474 184 D N 0.102 120.432 120.400 -0.117 0.000 2.363 184 D HA 0.114 4.757 4.640 0.005 0.000 0.240 184 D C 0.905 177.164 176.300 -0.068 0.000 1.236 184 D CA -0.122 53.801 54.000 -0.129 0.000 0.927 184 D CB 0.609 41.319 40.800 -0.150 0.000 1.150 184 D HN 0.498 nan 8.370 nan 0.000 0.458 185 A N 0.848 123.639 122.820 -0.049 0.000 1.883 185 A HA -0.178 4.145 4.320 0.005 0.000 0.217 185 A C 2.150 179.732 177.584 -0.004 0.000 1.186 185 A CA 1.213 53.250 52.037 -0.001 0.000 0.624 185 A CB -0.775 18.247 19.000 0.036 0.000 0.822 185 A HN 0.640 nan 8.150 nan 0.000 0.444 186 I N 0.083 120.640 120.570 -0.021 0.000 2.315 186 I HA -0.121 4.052 4.170 0.005 0.000 0.248 186 I C 2.541 178.702 176.117 0.073 0.000 1.117 186 I CA 1.451 62.777 61.300 0.043 0.000 1.404 186 I CB -1.534 36.515 38.000 0.082 0.000 1.071 186 I HN 0.215 nan 8.210 nan 0.000 0.419 187 S N 0.806 116.527 115.700 0.035 0.000 2.359 187 S HA -0.130 4.343 4.470 0.005 0.000 0.224 187 S C 2.282 176.916 174.600 0.058 0.000 1.035 187 S CA 1.237 59.462 58.200 0.043 0.000 1.018 187 S CB -0.328 62.872 63.200 -0.001 0.000 0.876 187 S HN 0.252 nan 8.310 nan 0.000 0.448 188 V N 2.091 122.026 119.914 0.035 0.000 2.287 188 V HA -0.240 3.883 4.120 0.005 0.000 0.248 188 V C 2.659 178.814 176.094 0.103 0.000 1.053 188 V CA 1.748 64.074 62.300 0.043 0.000 1.027 188 V CB -1.306 30.528 31.823 0.019 0.000 0.646 188 V HN 0.549 nan 8.190 nan 0.000 0.447 189 A N -0.029 122.862 122.820 0.119 0.000 1.908 189 A HA -0.187 4.136 4.320 0.005 0.000 0.218 189 A C 2.130 179.855 177.584 0.234 0.000 1.181 189 A CA 2.072 54.216 52.037 0.179 0.000 0.627 189 A CB -0.431 18.681 19.000 0.187 0.000 0.818 189 A HN 0.447 nan 8.150 nan 0.000 0.445 190 I N -1.265 119.433 120.570 0.214 0.000 2.585 190 I HA -0.062 4.111 4.170 0.005 0.000 0.254 190 I C 2.475 178.792 176.117 0.334 0.000 1.129 190 I CA 1.015 62.473 61.300 0.263 0.000 1.455 190 I CB -1.039 37.070 38.000 0.182 0.000 1.111 190 I HN 0.362 nan 8.210 nan 0.000 0.433 191 M N -0.175 119.567 119.600 0.238 0.000 2.248 191 M HA -0.114 4.369 4.480 0.005 0.000 0.265 191 M C 2.218 178.646 176.300 0.213 0.000 1.079 191 M CA 1.458 56.892 55.300 0.224 0.000 1.150 191 M CB -0.235 32.439 32.600 0.122 0.000 1.366 191 M HN 0.160 nan 8.290 nan 0.000 0.433 192 L N 0.161 121.483 121.223 0.164 0.000 2.062 192 L HA -0.027 4.316 4.340 0.005 0.000 0.202 192 L C 2.585 179.609 176.870 0.256 0.000 1.079 192 L CA 2.256 57.198 54.840 0.169 0.000 0.755 192 L CB -1.048 41.062 42.059 0.084 0.000 0.913 192 L HN 0.382 nan 8.230 nan 0.000 0.445 193 T N -2.685 112.020 114.554 0.251 0.000 2.770 193 T HA -0.146 4.207 4.350 0.005 0.000 0.258 193 T C 1.903 176.774 174.700 0.286 0.000 1.039 193 T CA 1.342 63.601 62.100 0.266 0.000 1.143 193 T CB -1.197 67.836 68.868 0.275 0.000 0.866 193 T HN 0.291 nan 8.240 nan 0.000 0.428 194 F N 2.269 122.347 119.950 0.213 0.000 2.014 194 F HA -0.050 4.480 4.527 0.005 0.000 0.295 194 F C 2.686 178.673 175.800 0.312 0.000 1.145 194 F CA 1.986 60.137 58.000 0.251 0.000 1.178 194 F CB -0.484 38.657 39.000 0.236 0.000 0.972 194 F HN 0.138 nan 8.300 nan 0.000 0.476 195 S N 0.493 116.366 115.700 0.289 0.000 2.344 195 S HA -0.200 4.273 4.470 0.005 0.000 0.217 195 S C 1.769 176.357 174.600 -0.020 0.000 1.033 195 S CA 1.506 59.794 58.200 0.148 0.000 1.017 195 S CB -0.956 62.477 63.200 0.388 0.000 0.941 195 S HN 0.453 nan 8.310 nan 0.000 0.430 196 F N 2.242 122.199 119.950 0.011 0.000 2.113 196 F HA -0.018 4.512 4.527 0.005 0.000 0.297 196 F C 2.222 177.989 175.800 -0.055 0.000 1.103 196 F CA 1.352 59.368 58.000 0.027 0.000 1.248 196 F CB -0.333 38.733 39.000 0.110 0.000 0.999 196 F HN 0.210 nan 8.300 nan 0.000 0.475 197 E N -1.279 118.865 120.200 -0.095 0.000 2.299 197 E HA -0.080 4.273 4.350 0.005 0.000 0.193 197 E C 1.766 178.240 176.600 -0.209 0.000 0.998 197 E CA 1.277 57.562 56.400 -0.192 0.000 0.851 197 E CB -0.163 29.543 29.700 0.011 0.000 0.795 197 E HN 0.459 nan 8.360 nan 0.000 0.492 198 T N -2.834 111.614 114.554 -0.178 0.000 3.086 198 T HA 0.213 4.566 4.350 0.005 0.000 0.250 198 T C 1.233 175.801 174.700 -0.221 0.000 1.074 198 T CA 0.211 62.243 62.100 -0.112 0.000 0.988 198 T CB 0.749 69.625 68.868 0.014 0.000 0.988 198 T HN 0.098 nan 8.240 nan 0.000 0.530 199 G N 0.787 109.241 108.800 -0.577 0.000 2.754 199 G HA2 0.356 4.319 3.960 0.005 0.000 0.210 199 G HA3 0.356 4.319 3.960 0.005 0.000 0.210 199 G C 0.581 175.027 174.900 -0.757 0.000 2.092 199 G CA -0.430 44.076 45.100 -0.990 0.000 0.766 199 G HN 0.267 nan 8.290 nan 0.000 0.745 200 F N 2.067 121.614 119.950 -0.670 0.000 2.365 200 F HA -0.014 4.516 4.527 0.005 0.000 0.300 200 F C 3.188 178.629 175.800 -0.600 0.000 1.090 200 F CA 1.715 59.286 58.000 -0.716 0.000 1.408 200 F CB -0.330 38.296 39.000 -0.624 0.000 1.060 200 F HN 0.276 nan 8.300 nan 0.000 0.534 201 T N -2.761 111.454 114.554 -0.565 0.000 2.915 201 T HA -0.163 4.190 4.350 0.005 0.000 0.269 201 T C 1.804 176.337 174.700 -0.278 0.000 1.071 201 T CA 1.209 63.072 62.100 -0.395 0.000 1.132 201 T CB -0.460 68.049 68.868 -0.597 0.000 0.878 201 T HN 0.171 nan 8.240 nan 0.000 0.479 202 N N 1.250 119.666 118.700 -0.474 0.000 2.205 202 N HA -0.016 4.727 4.740 0.005 0.000 0.186 202 N C 1.841 176.807 175.510 -0.907 0.000 1.015 202 N CA 1.181 53.754 53.050 -0.795 0.000 0.862 202 N CB -0.316 37.525 38.487 -1.078 0.000 0.986 202 N HN 0.416 nan 8.380 nan 0.000 0.429 203 M N 0.304 119.594 119.600 -0.516 0.000 2.099 203 M HA -0.130 4.353 4.480 0.005 0.000 0.262 203 M C 2.093 178.379 176.300 -0.023 0.000 1.067 203 M CA 1.365 56.556 55.300 -0.182 0.000 1.124 203 M CB -0.832 32.103 32.600 0.558 0.000 1.353 203 M HN 0.084 nan 8.290 nan 0.000 0.410 204 Q N -0.367 119.544 119.800 0.185 0.000 2.331 204 Q HA -0.004 4.339 4.340 0.005 0.000 0.203 204 Q C 1.169 177.095 176.000 -0.122 0.000 0.944 204 Q CA 1.299 57.168 55.803 0.110 0.000 0.892 204 Q CB 0.095 28.990 28.738 0.262 0.000 0.983 204 Q HN 0.395 nan 8.270 nan 0.000 0.482 205 F N -1.529 118.308 119.950 -0.188 0.000 2.720 205 F HA 0.305 4.835 4.527 0.005 0.000 0.301 205 F C 1.129 176.751 175.800 -0.298 0.000 1.103 205 F CA 0.159 58.013 58.000 -0.243 0.000 1.291 205 F CB 0.661 39.524 39.000 -0.227 0.000 1.086 205 F HN 0.012 nan 8.300 nan 0.000 0.592 206 L N -2.154 118.929 121.223 -0.234 0.000 2.713 206 L HA 0.317 4.660 4.340 0.005 0.000 0.223 206 L C 2.489 179.220 176.870 -0.232 0.000 1.040 206 L CA 0.741 55.442 54.840 -0.232 0.000 0.894 206 L CB -0.884 40.987 42.059 -0.313 0.000 1.361 206 L HN 0.048 nan 8.230 nan 0.000 0.490 207 G N 0.897 109.403 108.800 -0.490 0.000 2.459 207 G HA2 -0.280 3.683 3.960 0.005 0.000 0.217 207 G HA3 -0.280 3.683 3.960 0.005 0.000 0.217 207 G C 1.457 176.066 174.900 -0.485 0.000 1.183 207 G CA 0.957 45.543 45.100 -0.857 0.000 0.776 207 G HN 0.134 nan 8.290 nan 0.000 0.552 208 L N 1.473 122.538 121.223 -0.264 0.000 2.083 208 L HA 0.164 4.507 4.340 0.005 0.000 0.209 208 L C 3.048 179.947 176.870 0.049 0.000 1.083 208 L CA 1.915 56.732 54.840 -0.039 0.000 0.752 208 L CB -0.755 41.289 42.059 -0.024 0.000 0.899 208 L HN 0.255 nan 8.230 nan 0.000 0.433 209 A N -0.520 122.261 122.820 -0.064 0.000 1.940 209 A HA -0.146 4.177 4.320 0.005 0.000 0.219 209 A C 2.478 180.092 177.584 0.049 0.000 1.176 209 A CA 1.820 53.841 52.037 -0.028 0.000 0.631 209 A CB -1.093 17.861 19.000 -0.077 0.000 0.814 209 A HN 0.563 nan 8.150 nan 0.000 0.446 210 A N 0.174 123.042 122.820 0.080 0.000 1.883 210 A HA -0.220 4.103 4.320 0.005 0.000 0.217 210 A C 1.789 179.440 177.584 0.113 0.000 1.186 210 A CA 2.040 54.172 52.037 0.158 0.000 0.624 210 A CB -0.688 18.514 19.000 0.337 0.000 0.822 210 A HN 0.454 nan 8.150 nan 0.000 0.444 211 D N -0.080 120.399 120.400 0.131 0.000 2.144 211 D HA -0.024 4.619 4.640 0.005 0.000 0.199 211 D C 2.220 178.399 176.300 -0.201 0.000 0.984 211 D CA 1.471 55.501 54.000 0.050 0.000 0.834 211 D CB -0.458 40.448 40.800 0.176 0.000 0.955 211 D HN 0.426 nan 8.370 nan 0.000 0.465 212 A N 0.954 123.724 122.820 -0.085 0.000 1.908 212 A HA -0.090 4.233 4.320 0.005 0.000 0.218 212 A C 2.303 179.650 177.584 -0.396 0.000 1.181 212 A CA 2.336 54.219 52.037 -0.257 0.000 0.627 212 A CB -0.774 18.448 19.000 0.371 0.000 0.818 212 A HN 0.243 nan 8.150 nan 0.000 0.445 213 A N -0.521 122.158 122.820 -0.235 0.000 1.898 213 A HA -0.126 4.197 4.320 0.005 0.000 0.216 213 A C 1.925 179.342 177.584 -0.279 0.000 1.181 213 A CA 1.627 53.489 52.037 -0.292 0.000 0.620 213 A CB -0.425 18.591 19.000 0.026 0.000 0.819 213 A HN 0.453 nan 8.150 nan 0.000 0.442 214 E N 0.079 120.170 120.200 -0.182 0.000 2.110 214 E HA -0.139 4.214 4.350 0.005 0.000 0.193 214 E C 2.096 178.536 176.600 -0.267 0.000 0.988 214 E CA 1.272 57.578 56.400 -0.156 0.000 0.804 214 E CB -0.545 29.092 29.700 -0.104 0.000 0.745 214 E HN 0.583 nan 8.360 nan 0.000 0.458 215 A N 0.021 122.562 122.820 -0.464 0.000 2.206 215 A HA 0.218 4.541 4.320 0.005 0.000 0.211 215 A C 1.675 178.951 177.584 -0.513 0.000 1.158 215 A CA 1.100 52.779 52.037 -0.596 0.000 0.761 215 A CB -0.328 17.987 19.000 -1.143 0.000 0.801 215 A HN 0.284 nan 8.150 nan 0.000 0.473 216 G N -0.431 108.056 108.800 -0.522 0.000 2.147 216 G HA2 -0.240 3.723 3.960 0.005 0.000 0.244 216 G HA3 -0.240 3.723 3.960 0.005 0.000 0.244 216 G C -0.070 174.517 174.900 -0.522 0.000 1.005 216 G CA 0.388 45.187 45.100 -0.501 0.000 0.713 216 G HN 0.562 nan 8.290 nan 0.000 0.515 217 D N -0.309 119.755 120.400 -0.561 0.000 2.518 217 D HA 0.471 5.114 4.640 0.005 0.000 0.230 217 D C 1.137 177.380 176.300 -0.095 0.000 1.138 217 D CA -0.904 53.005 54.000 -0.151 0.000 0.964 217 D CB -0.140 40.739 40.800 0.132 0.000 1.011 217 D HN 0.288 nan 8.370 nan 0.000 0.517 218 Y N 0.659 121.058 120.300 0.164 0.000 2.395 218 Y HA -0.077 4.476 4.550 0.005 0.000 0.293 218 Y C 2.493 178.518 175.900 0.208 0.000 1.123 218 Y CA 0.684 58.875 58.100 0.152 0.000 1.227 218 Y CB -0.282 38.241 38.460 0.105 0.000 1.012 218 Y HN 0.228 nan 8.280 nan 0.000 0.552 219 T N 0.515 115.301 114.554 0.387 0.000 2.665 219 T HA -0.256 4.097 4.350 0.005 0.000 0.268 219 T C 1.637 176.615 174.700 0.464 0.000 1.035 219 T CA 1.841 64.197 62.100 0.426 0.000 1.151 219 T CB -0.650 68.480 68.868 0.437 0.000 0.862 219 T HN 0.322 nan 8.240 nan 0.000 0.438 220 F N 1.817 121.939 119.950 0.286 0.000 2.128 220 F HA 0.174 4.704 4.527 0.005 0.000 0.295 220 F C 2.455 178.304 175.800 0.082 0.000 1.100 220 F CA 0.742 58.860 58.000 0.197 0.000 1.260 220 F CB -0.821 38.314 39.000 0.225 0.000 1.009 220 F HN 0.129 nan 8.300 nan 0.000 0.476 221 A N 0.253 123.141 122.820 0.113 0.000 1.883 221 A HA -0.292 4.031 4.320 0.005 0.000 0.217 221 A C 2.045 179.609 177.584 -0.033 0.000 1.186 221 A CA 2.152 54.178 52.037 -0.017 0.000 0.624 221 A CB -1.307 17.739 19.000 0.077 0.000 0.822 221 A HN 0.540 nan 8.150 nan 0.000 0.444 222 N N -0.587 118.159 118.700 0.076 0.000 2.166 222 N HA -0.127 4.616 4.740 0.005 0.000 0.186 222 N C 1.553 177.048 175.510 -0.025 0.000 1.019 222 N CA 1.465 54.556 53.050 0.067 0.000 0.856 222 N CB -0.304 38.270 38.487 0.145 0.000 0.993 222 N HN 0.370 nan 8.380 nan 0.000 0.426 223 L N 1.143 122.316 121.223 -0.083 0.000 1.976 223 L HA -0.017 4.326 4.340 0.005 0.000 0.209 223 L C 2.023 178.737 176.870 -0.260 0.000 1.071 223 L CA 1.591 56.283 54.840 -0.246 0.000 0.746 223 L CB -0.824 40.978 42.059 -0.427 0.000 0.890 223 L HN 0.439 nan 8.230 nan 0.000 0.432 224 I N -2.195 118.147 120.570 -0.379 0.000 2.394 224 I HA -0.139 4.034 4.170 0.005 0.000 0.251 224 I C 2.382 178.447 176.117 -0.087 0.000 1.136 224 I CA 1.423 62.547 61.300 -0.293 0.000 1.425 224 I CB -0.979 36.577 38.000 -0.739 0.000 1.079 224 I HN 0.419 nan 8.210 nan 0.000 0.425 225 S N 0.581 116.211 115.700 -0.116 0.000 2.402 225 S HA -0.179 4.294 4.470 0.005 0.000 0.229 225 S C 2.170 176.742 174.600 -0.046 0.000 1.021 225 S CA 1.310 59.480 58.200 -0.051 0.000 0.974 225 S CB -0.669 62.520 63.200 -0.018 0.000 0.800 225 S HN 0.604 nan 8.310 nan 0.000 0.484 226 S N 1.521 117.187 115.700 -0.058 0.000 2.368 226 S HA 0.048 4.521 4.470 0.005 0.000 0.224 226 S C 1.812 176.371 174.600 -0.067 0.000 1.029 226 S CA 1.038 59.211 58.200 -0.045 0.000 0.988 226 S CB -0.677 62.498 63.200 -0.041 0.000 0.838 226 S HN 0.600 nan 8.310 nan 0.000 0.462 227 I N 1.122 121.616 120.570 -0.127 0.000 2.208 227 I HA -0.201 3.972 4.170 0.005 0.000 0.245 227 I C 2.771 178.700 176.117 -0.313 0.000 1.097 227 I CA 1.579 62.698 61.300 -0.302 0.000 1.363 227 I CB -0.378 37.398 38.000 -0.373 0.000 1.051 227 I HN 0.372 nan 8.210 nan 0.000 0.413 228 Q N 0.572 120.241 119.800 -0.219 0.000 2.291 228 Q HA -0.174 4.169 4.340 0.005 0.000 0.205 228 Q C 2.151 178.064 176.000 -0.146 0.000 0.970 228 Q CA 2.094 57.758 55.803 -0.231 0.000 0.876 228 Q CB -0.397 28.239 28.738 -0.170 0.000 0.935 228 Q HN 0.657 nan 8.270 nan 0.000 0.455 229 T N -2.297 112.209 114.554 -0.079 0.000 2.833 229 T HA -0.148 4.205 4.350 0.005 0.000 0.269 229 T C 1.193 175.848 174.700 -0.074 0.000 1.054 229 T CA 1.414 63.492 62.100 -0.037 0.000 1.135 229 T CB -0.252 68.616 68.868 0.001 0.000 0.869 229 T HN 0.194 nan 8.240 nan 0.000 0.466 230 D N 1.191 121.564 120.400 -0.044 0.000 2.123 230 D HA -0.050 4.593 4.640 0.005 0.000 0.200 230 D C 2.384 178.497 176.300 -0.312 0.000 0.976 230 D CA 0.895 54.878 54.000 -0.027 0.000 0.831 230 D CB -0.227 40.736 40.800 0.271 0.000 0.974 230 D HN 0.409 nan 8.370 nan 0.000 0.469 231 E N 0.856 120.848 120.200 -0.348 0.000 2.085 231 E HA -0.100 4.253 4.350 0.005 0.000 0.194 231 E C 2.177 178.506 176.600 -0.452 0.000 0.994 231 E CA 0.594 56.630 56.400 -0.607 0.000 0.801 231 E CB -0.343 29.135 29.700 -0.370 0.000 0.743 231 E HN 0.096 nan 8.360 nan 0.000 0.453 232 S N 0.498 116.044 115.700 -0.256 0.000 2.419 232 S HA -0.153 4.320 4.470 0.005 0.000 0.233 232 S C 1.879 176.367 174.600 -0.188 0.000 1.016 232 S CA 1.184 59.316 58.200 -0.113 0.000 0.974 232 S CB -0.000 63.212 63.200 0.020 0.000 0.786 232 S HN 0.235 nan 8.310 nan 0.000 0.492 233 R N 1.087 121.293 120.500 -0.490 0.000 2.052 233 R HA -0.045 4.298 4.340 0.005 0.000 0.224 233 R C 2.439 178.559 176.300 -0.299 0.000 1.149 233 R CA 1.449 57.017 56.100 -0.886 0.000 0.962 233 R CB -0.540 29.185 30.300 -0.959 0.000 0.856 233 R HN 0.705 nan 8.270 nan 0.000 0.433 234 H N -1.109 117.900 119.070 -0.102 0.000 2.495 234 H HA 0.116 4.675 4.556 0.005 0.000 0.287 234 H C 1.531 176.904 175.328 0.076 0.000 1.033 234 H CA 0.761 56.824 56.048 0.026 0.000 1.307 234 H CB 0.007 29.807 29.762 0.064 0.000 1.401 234 H HN 0.349 nan 8.280 nan 0.000 0.555 235 A N 1.527 124.397 122.820 0.083 0.000 2.070 235 A HA -0.127 4.196 4.320 0.005 0.000 0.220 235 A C 2.083 179.790 177.584 0.205 0.000 1.159 235 A CA 0.901 53.033 52.037 0.159 0.000 0.656 235 A CB -0.240 18.788 19.000 0.046 0.000 0.800 235 A HN 0.348 nan 8.150 nan 0.000 0.453 236 Q N -0.166 119.743 119.800 0.181 0.000 2.431 236 Q HA -0.036 4.307 4.340 0.005 0.000 0.210 236 Q C 1.343 177.477 176.000 0.222 0.000 0.958 236 Q CA 0.513 56.441 55.803 0.209 0.000 0.957 236 Q CB -0.129 28.748 28.738 0.231 0.000 1.007 236 Q HN 0.808 nan 8.270 nan 0.000 0.511 237 Q N -1.060 118.902 119.800 0.270 0.000 2.311 237 Q HA -0.031 4.312 4.340 0.005 0.000 0.203 237 Q C 1.843 178.050 176.000 0.345 0.000 0.954 237 Q CA 1.000 57.013 55.803 0.350 0.000 0.885 237 Q CB 0.123 29.062 28.738 0.335 0.000 0.963 237 Q HN 0.410 nan 8.270 nan 0.000 0.471 238 G N 0.569 109.555 108.800 0.309 0.000 2.395 238 G HA2 -0.156 3.807 3.960 0.005 0.000 0.214 238 G HA3 -0.156 3.807 3.960 0.005 0.000 0.214 238 G C 1.341 176.352 174.900 0.185 0.000 1.177 238 G CA 0.612 45.901 45.100 0.314 0.000 0.794 238 G HN 0.439 nan 8.290 nan 0.000 0.532 239 G N 2.050 110.950 108.800 0.167 0.000 2.553 239 G HA2 -0.204 3.759 3.960 0.005 0.000 0.218 239 G HA3 -0.204 3.759 3.960 0.005 0.000 0.218 239 G C 0.310 175.178 174.900 -0.054 0.000 1.195 239 G CA 1.537 46.651 45.100 0.022 0.000 0.779 239 G HN 0.468 nan 8.290 nan 0.000 0.577 240 P HA -0.009 nan 4.420 nan 0.000 0.218 240 P C 1.977 179.247 177.300 -0.050 0.000 1.149 240 P CA 1.873 64.811 63.100 -0.269 0.000 0.817 240 P CB -0.185 31.024 31.700 -0.818 0.000 0.785 241 A N -0.045 122.897 122.820 0.204 0.000 1.898 241 A HA -0.155 4.168 4.320 0.005 0.000 0.216 241 A C 2.196 179.869 177.584 0.148 0.000 1.181 241 A CA 1.465 53.722 52.037 0.367 0.000 0.620 241 A CB -1.644 17.604 19.000 0.414 0.000 0.819 241 A HN 0.174 nan 8.150 nan 0.000 0.442 242 L N -0.060 121.184 121.223 0.035 0.000 2.017 242 L HA -0.211 4.132 4.340 0.005 0.000 0.208 242 L C 2.465 179.287 176.870 -0.080 0.000 1.073 242 L CA 2.417 57.217 54.840 -0.068 0.000 0.745 242 L CB -0.769 41.149 42.059 -0.235 0.000 0.894 242 L HN 0.512 nan 8.230 nan 0.000 0.432 243 Q N -0.805 118.943 119.800 -0.087 0.000 2.124 243 Q HA -0.220 4.123 4.340 0.005 0.000 0.202 243 Q C 2.366 178.311 176.000 -0.092 0.000 0.977 243 Q CA 1.884 57.631 55.803 -0.093 0.000 0.850 243 Q CB -0.317 28.363 28.738 -0.096 0.000 0.901 243 Q HN 0.559 nan 8.270 nan 0.000 0.429 244 L N 0.390 121.562 121.223 -0.084 0.000 2.046 244 L HA -0.202 4.141 4.340 0.005 0.000 0.208 244 L C 2.048 178.798 176.870 -0.200 0.000 1.077 244 L CA 1.042 55.786 54.840 -0.160 0.000 0.747 244 L CB -0.077 41.872 42.059 -0.183 0.000 0.896 244 L HN 0.248 nan 8.230 nan 0.000 0.432 245 L N -0.749 120.400 121.223 -0.123 0.000 2.046 245 L HA -0.263 4.080 4.340 0.005 0.000 0.208 245 L C 2.424 179.244 176.870 -0.082 0.000 1.077 245 L CA 1.409 56.195 54.840 -0.089 0.000 0.747 245 L CB -0.457 41.600 42.059 -0.002 0.000 0.896 245 L HN 0.271 nan 8.230 nan 0.000 0.432 246 I N -0.300 120.223 120.570 -0.078 0.000 2.226 246 I HA -0.266 3.907 4.170 0.005 0.000 0.245 246 I C 2.369 178.439 176.117 -0.079 0.000 1.100 246 I CA 1.305 62.563 61.300 -0.070 0.000 1.374 246 I CB -0.258 37.698 38.000 -0.074 0.000 1.057 246 I HN 0.255 nan 8.210 nan 0.000 0.413 247 E N 0.605 120.747 120.200 -0.097 0.000 2.204 247 E HA -0.191 4.162 4.350 0.005 0.000 0.195 247 E C 0.782 177.319 176.600 -0.106 0.000 0.990 247 E CA 1.013 57.354 56.400 -0.099 0.000 0.821 247 E CB -0.134 29.500 29.700 -0.111 0.000 0.750 247 E HN 0.520 nan 8.360 nan 0.000 0.477 248 N N -1.052 117.573 118.700 -0.125 0.000 2.273 248 N HA 0.151 4.894 4.740 0.005 0.000 0.231 248 N C 0.077 175.539 175.510 -0.080 0.000 1.134 248 N CA 0.401 53.376 53.050 -0.124 0.000 0.856 248 N CB 1.636 40.005 38.487 -0.198 0.000 1.068 248 N HN 0.149 nan 8.380 nan 0.000 0.510 249 G N 0.848 109.611 108.800 -0.062 0.000 2.136 249 G HA2 -0.263 3.700 3.960 0.005 0.000 0.242 249 G HA3 -0.263 3.700 3.960 0.005 0.000 0.242 249 G C 0.485 175.370 174.900 -0.025 0.000 0.989 249 G CA -0.057 45.020 45.100 -0.039 0.000 0.682 249 G HN 0.182 nan 8.290 nan 0.000 0.522 250 K N -0.007 120.377 120.400 -0.027 0.000 2.593 250 K HA 0.275 4.598 4.320 0.005 0.000 0.208 250 K C 1.770 178.370 176.600 -0.000 0.000 1.051 250 K CA -0.030 56.254 56.287 -0.005 0.000 1.111 250 K CB 0.400 32.904 32.500 0.006 0.000 0.849 250 K HN 0.576 nan 8.250 nan 0.000 0.479 251 R N 1.661 122.155 120.500 -0.011 0.000 2.083 251 R HA -0.188 4.155 4.340 0.005 0.000 0.237 251 R C 0.859 177.169 176.300 0.016 0.000 1.137 251 R CA 1.899 57.994 56.100 -0.009 0.000 0.951 251 R CB 0.221 30.509 30.300 -0.019 0.000 0.851 251 R HN -0.027 nan 8.270 nan 0.000 0.434 252 E N 0.539 120.752 120.200 0.023 0.000 2.085 252 E HA -0.187 4.166 4.350 0.005 0.000 0.194 252 E C 1.914 178.556 176.600 0.070 0.000 0.994 252 E CA 1.834 58.261 56.400 0.046 0.000 0.801 252 E CB -0.085 29.637 29.700 0.037 0.000 0.743 252 E HN 0.459 nan 8.360 nan 0.000 0.453 253 E N 0.203 120.436 120.200 0.055 0.000 2.072 253 E HA -0.096 4.256 4.350 0.005 0.000 0.191 253 E C 1.911 178.561 176.600 0.083 0.000 0.985 253 E CA 1.245 57.683 56.400 0.064 0.000 0.801 253 E CB -0.341 29.387 29.700 0.047 0.000 0.750 253 E HN 0.294 nan 8.360 nan 0.000 0.452 254 A N 0.688 123.548 122.820 0.067 0.000 1.877 254 A HA -0.283 4.040 4.320 0.005 0.000 0.216 254 A C 2.227 179.870 177.584 0.099 0.000 1.186 254 A CA 1.865 53.943 52.037 0.068 0.000 0.620 254 A CB -0.663 18.349 19.000 0.021 0.000 0.822 254 A HN 0.213 nan 8.150 nan 0.000 0.443 255 Q N 0.100 119.956 119.800 0.094 0.000 2.096 255 Q HA -0.175 4.168 4.340 0.005 0.000 0.204 255 Q C 2.003 178.142 176.000 0.232 0.000 0.982 255 Q CA 2.240 58.122 55.803 0.131 0.000 0.850 255 Q CB -0.249 28.549 28.738 0.100 0.000 0.901 255 Q HN 0.642 nan 8.270 nan 0.000 0.422 256 K N -0.029 120.522 120.400 0.252 0.000 2.063 256 K HA -0.166 4.157 4.320 0.005 0.000 0.208 256 K C 2.135 178.952 176.600 0.362 0.000 1.048 256 K CA 1.612 58.125 56.287 0.376 0.000 0.928 256 K CB -0.084 32.576 32.500 0.266 0.000 0.713 256 K HN 0.202 nan 8.250 nan 0.000 0.442 257 K N 0.458 121.005 120.400 0.245 0.000 2.057 257 K HA -0.087 4.236 4.320 0.005 0.000 0.206 257 K C 2.119 178.903 176.600 0.305 0.000 1.050 257 K CA 1.024 57.448 56.287 0.229 0.000 0.935 257 K CB -0.050 32.548 32.500 0.163 0.000 0.715 257 K HN -0.069 nan 8.250 nan 0.000 0.439 258 V N 2.056 122.161 119.914 0.319 0.000 2.307 258 V HA -0.248 3.875 4.120 0.005 0.000 0.245 258 V C 1.606 177.968 176.094 0.446 0.000 1.045 258 V CA 1.906 64.448 62.300 0.403 0.000 1.024 258 V CB -0.448 31.611 31.823 0.393 0.000 0.651 258 V HN 0.274 nan 8.190 nan 0.000 0.449 259 D N -0.133 120.529 120.400 0.437 0.000 2.116 259 D HA -0.225 4.418 4.640 0.005 0.000 0.193 259 D C 2.161 178.888 176.300 0.712 0.000 0.998 259 D CA 1.747 56.062 54.000 0.525 0.000 0.836 259 D CB -0.319 40.789 40.800 0.513 0.000 0.951 259 D HN 0.365 nan 8.370 nan 0.000 0.449 260 M N 0.474 120.487 119.600 0.688 0.000 2.067 260 M HA -0.151 4.332 4.480 0.005 0.000 0.260 260 M C 2.343 178.935 176.300 0.487 0.000 1.069 260 M CA 1.814 57.472 55.300 0.598 0.000 1.117 260 M CB -0.238 32.580 32.600 0.363 0.000 1.334 260 M HN 0.002 nan 8.290 nan 0.000 0.407 261 A N 0.278 123.349 122.820 0.418 0.000 1.902 261 A HA -0.118 4.205 4.320 0.005 0.000 0.217 261 A C 2.106 179.943 177.584 0.422 0.000 1.181 261 A CA 1.465 53.732 52.037 0.384 0.000 0.623 261 A CB -0.971 18.223 19.000 0.323 0.000 0.818 261 A HN 0.466 nan 8.150 nan 0.000 0.443 262 I N -1.779 119.056 120.570 0.443 0.000 2.226 262 I HA -0.286 3.887 4.170 0.005 0.000 0.245 262 I C 2.545 178.861 176.117 0.331 0.000 1.100 262 I CA 1.420 62.972 61.300 0.419 0.000 1.374 262 I CB -0.311 37.957 38.000 0.447 0.000 1.057 262 I HN 0.695 nan 8.210 nan 0.000 0.413 263 W N 2.254 123.640 121.300 0.144 0.000 2.358 263 W HA -0.173 4.490 4.660 0.005 0.000 0.303 263 W C 2.633 179.200 176.519 0.081 0.000 1.208 263 W CA 1.375 58.704 57.345 -0.026 0.000 1.274 263 W CB -0.199 29.098 29.460 -0.271 0.000 1.138 263 W HN 0.087 nan 8.180 nan 0.000 0.515 264 R N 0.219 120.892 120.500 0.288 0.000 2.091 264 R HA -0.159 4.184 4.340 0.005 0.000 0.238 264 R C 2.372 178.524 176.300 -0.246 0.000 1.136 264 R CA 1.676 57.893 56.100 0.194 0.000 0.959 264 R CB -1.060 29.532 30.300 0.487 0.000 0.856 264 R HN 0.157 nan 8.270 nan 0.000 0.437 265 A N 1.361 124.047 122.820 -0.223 0.000 1.902 265 A HA -0.196 4.127 4.320 0.005 0.000 0.217 265 A C 1.951 178.994 177.584 -0.903 0.000 1.181 265 A CA 1.116 52.739 52.037 -0.691 0.000 0.623 265 A CB -1.094 17.863 19.000 -0.073 0.000 0.818 265 A HN 0.685 nan 8.150 nan 0.000 0.443 266 W N 0.891 121.568 121.300 -1.038 0.000 2.318 266 W HA -0.253 4.410 4.660 0.006 0.000 0.313 266 W C 2.023 178.267 176.519 -0.459 0.000 1.221 266 W CA 1.855 58.662 57.345 -0.896 0.000 1.266 266 W CB -0.210 28.906 29.460 -0.574 0.000 1.150 266 W HN 0.232 nan 8.180 nan 0.000 0.496 267 R N 0.471 120.466 120.500 -0.842 0.000 2.075 267 R HA -0.158 4.185 4.340 0.005 0.000 0.232 267 R C 2.200 178.260 176.300 -0.399 0.000 1.126 267 R CA 1.289 56.976 56.100 -0.689 0.000 0.963 267 R CB -1.497 28.600 30.300 -0.339 0.000 0.858 267 R HN 0.339 nan 8.270 nan 0.000 0.435 268 L N 0.252 121.229 121.223 -0.410 0.000 2.027 268 L HA -0.091 4.252 4.340 0.005 0.000 0.206 268 L C 2.168 178.921 176.870 -0.195 0.000 1.074 268 L CA 1.451 56.113 54.840 -0.298 0.000 0.745 268 L CB -0.669 41.131 42.059 -0.431 0.000 0.898 268 L HN 0.014 nan 8.230 nan 0.000 0.433 269 F N 0.345 120.068 119.950 -0.379 0.000 2.161 269 F HA -0.193 4.337 4.527 0.005 0.000 0.300 269 F C 2.265 177.984 175.800 -0.134 0.000 1.089 269 F CA 1.409 59.303 58.000 -0.176 0.000 1.282 269 F CB -0.534 38.345 39.000 -0.201 0.000 1.010 269 F HN 0.155 nan 8.300 nan 0.000 0.485 270 A N -0.919 121.714 122.820 -0.312 0.000 2.015 270 A HA -0.090 4.233 4.320 0.005 0.000 0.219 270 A C 2.296 179.766 177.584 -0.190 0.000 1.163 270 A CA 1.577 53.361 52.037 -0.422 0.000 0.646 270 A CB -1.193 17.290 19.000 -0.862 0.000 0.806 270 A HN 0.332 nan 8.150 nan 0.000 0.448 271 V N -0.981 118.886 119.914 -0.079 0.000 2.725 271 V HA -0.020 4.103 4.120 0.005 0.000 0.247 271 V C 2.140 178.144 176.094 -0.150 0.000 1.058 271 V CA 1.653 63.929 62.300 -0.041 0.000 1.080 271 V CB 0.157 31.871 31.823 -0.182 0.000 0.713 271 V HN 0.545 nan 8.190 nan 0.000 0.465 272 L N -0.328 120.744 121.223 -0.252 0.000 2.062 272 L HA 0.025 4.368 4.340 0.005 0.000 0.202 272 L C 2.407 179.026 176.870 -0.418 0.000 1.079 272 L CA 2.771 57.421 54.840 -0.318 0.000 0.755 272 L CB -0.801 41.117 42.059 -0.234 0.000 0.913 272 L HN 0.302 nan 8.230 nan 0.000 0.445 273 T N -0.577 113.647 114.554 -0.550 0.000 2.978 273 T HA 0.074 4.427 4.350 0.005 0.000 0.262 273 T C 1.648 175.924 174.700 -0.708 0.000 1.063 273 T CA 0.745 62.490 62.100 -0.592 0.000 1.140 273 T CB -0.635 67.701 68.868 -0.887 0.000 0.886 273 T HN 0.537 nan 8.240 nan 0.000 0.470 274 G N 2.653 110.785 108.800 -1.113 0.000 2.480 274 G HA2 -0.146 3.817 3.960 0.005 0.000 0.216 274 G HA3 -0.146 3.817 3.960 0.005 0.000 0.216 274 G C -0.756 173.801 174.900 -0.572 0.000 1.200 274 G CA 0.621 44.788 45.100 -1.554 0.000 0.782 274 G HN 0.397 nan 8.290 nan 0.000 0.554 275 P HA 0.002 nan 4.420 nan 0.000 0.218 275 P C 2.114 178.965 177.300 -0.747 0.000 1.149 275 P CA 0.493 63.345 63.100 -0.413 0.000 0.817 275 P CB -0.020 31.451 31.700 -0.382 0.000 0.785 276 V N -0.829 118.641 119.914 -0.740 0.000 2.287 276 V HA -0.266 3.857 4.120 0.005 0.000 0.248 276 V C 2.369 178.364 176.094 -0.166 0.000 1.053 276 V CA 1.986 63.995 62.300 -0.486 0.000 1.027 276 V CB -0.992 30.648 31.823 -0.305 0.000 0.646 276 V HN 0.117 nan 8.190 nan 0.000 0.447 277 M N -0.786 118.752 119.600 -0.103 0.000 2.254 277 M HA -0.100 4.383 4.480 0.005 0.000 0.265 277 M C 1.342 177.691 176.300 0.083 0.000 1.066 277 M CA 1.465 56.823 55.300 0.096 0.000 1.123 277 M CB -0.239 32.534 32.600 0.289 0.000 1.388 277 M HN 0.292 nan 8.290 nan 0.000 0.425 278 D N -1.987 118.414 120.400 0.002 0.000 2.407 278 D HA 0.068 4.711 4.640 0.005 0.000 0.208 278 D C 0.677 176.622 176.300 -0.592 0.000 1.083 278 D CA 0.727 54.674 54.000 -0.088 0.000 0.844 278 D CB 0.497 41.320 40.800 0.040 0.000 0.967 278 D HN 0.318 nan 8.370 nan 0.000 0.506 279 Y N -2.026 118.128 120.300 -0.244 0.000 2.820 279 Y HA 0.175 4.728 4.550 0.005 0.000 0.261 279 Y C 1.666 177.571 175.900 0.008 0.000 1.123 279 Y CA -0.238 57.698 58.100 -0.272 0.000 1.217 279 Y CB 0.170 38.235 38.460 -0.659 0.000 1.432 279 Y HN -0.074 nan 8.280 nan 0.000 0.461 280 Y N 0.254 120.596 120.300 0.070 0.000 2.243 280 Y HA -0.013 4.540 4.550 0.005 0.000 0.293 280 Y C 0.828 176.780 175.900 0.087 0.000 1.124 280 Y CA 0.545 58.694 58.100 0.080 0.000 1.159 280 Y CB -0.278 38.212 38.460 0.050 0.000 1.008 280 Y HN -0.177 nan 8.280 nan 0.000 0.527 281 T N 4.206 118.904 114.554 0.239 0.000 2.867 281 T HA 0.054 4.407 4.350 0.005 0.000 0.297 281 T C -2.380 172.343 174.700 0.037 0.000 0.989 281 T CA -1.053 61.175 62.100 0.213 0.000 1.159 281 T CB 0.539 69.507 68.868 0.166 0.000 0.928 281 T HN -0.062 nan 8.240 nan 0.000 0.538 282 P HA 0.012 nan 4.420 nan 0.000 0.265 282 P C 1.035 178.215 177.300 -0.200 0.000 1.187 282 P CA -0.405 62.656 63.100 -0.066 0.000 0.766 282 P CB 0.417 32.089 31.700 -0.047 0.000 0.820 283 L N 4.302 125.355 121.223 -0.283 0.000 2.021 283 L HA -0.270 4.073 4.340 0.005 0.000 0.215 283 L C 1.604 178.254 176.870 -0.367 0.000 1.074 283 L CA 2.165 56.733 54.840 -0.454 0.000 0.760 283 L CB -1.297 40.521 42.059 -0.402 0.000 0.889 283 L HN 0.336 nan 8.230 nan 0.000 0.433 284 E N -0.626 119.438 120.200 -0.226 0.000 2.333 284 E HA -0.136 4.217 4.350 0.005 0.000 0.198 284 E C 1.129 177.639 176.600 -0.149 0.000 1.007 284 E CA 1.167 57.470 56.400 -0.162 0.000 0.845 284 E CB -0.304 29.327 29.700 -0.115 0.000 0.766 284 E HN 0.576 nan 8.360 nan 0.000 0.507 285 D N 0.133 120.430 120.400 -0.171 0.000 2.395 285 D HA 0.057 4.700 4.640 0.005 0.000 0.213 285 D C -0.179 176.060 176.300 -0.102 0.000 1.110 285 D CA -0.024 53.886 54.000 -0.149 0.000 0.835 285 D CB 0.275 40.953 40.800 -0.205 0.000 0.965 285 D HN 0.064 nan 8.370 nan 0.000 0.505 286 R N 1.062 121.474 120.500 -0.146 0.000 2.325 286 R HA 0.155 4.498 4.340 0.005 0.000 0.323 286 R C 1.327 177.650 176.300 0.039 0.000 1.177 286 R CA -0.067 55.988 56.100 -0.074 0.000 1.018 286 R CB 0.871 30.970 30.300 -0.336 0.000 1.070 286 R HN -0.146 nan 8.270 nan 0.000 0.495 287 S N 2.787 118.564 115.700 0.129 0.000 2.370 287 S HA -0.135 4.338 4.470 0.005 0.000 0.226 287 S C 0.461 175.044 174.600 -0.028 0.000 1.033 287 S CA 1.408 59.670 58.200 0.104 0.000 1.011 287 S CB 0.323 63.682 63.200 0.265 0.000 0.852 287 S HN 0.597 nan 8.310 nan 0.000 0.457 288 Q N -0.087 119.636 119.800 -0.128 0.000 2.511 288 Q HA 0.386 4.729 4.340 0.005 0.000 0.289 288 Q C -0.981 175.036 176.000 0.029 0.000 1.021 288 Q CA -0.652 54.961 55.803 -0.316 0.000 0.785 288 Q CB 2.054 30.148 28.738 -1.073 0.000 1.472 288 Q HN 0.430 nan 8.270 nan 0.000 0.411 289 S N -0.344 115.416 115.700 0.100 0.000 2.614 289 S HA 0.177 4.650 4.470 0.005 0.000 0.265 289 S C 0.721 175.552 174.600 0.385 0.000 1.303 289 S CA -0.503 57.895 58.200 0.331 0.000 1.000 289 S CB 0.381 63.560 63.200 -0.035 0.000 0.935 289 S HN 0.663 nan 8.310 nan 0.000 0.551 290 F N 1.815 121.968 119.950 0.339 0.000 2.091 290 F HA -0.136 4.394 4.527 0.005 0.000 0.299 290 F C 2.408 178.372 175.800 0.273 0.000 1.103 290 F CA 2.297 60.459 58.000 0.271 0.000 1.228 290 F CB -0.454 38.509 39.000 -0.061 0.000 0.984 290 F HN 0.838 nan 8.300 nan 0.000 0.477 291 K N 0.258 120.790 120.400 0.220 0.000 2.057 291 K HA -0.205 4.118 4.320 0.005 0.000 0.206 291 K C 1.984 178.598 176.600 0.023 0.000 1.050 291 K CA 1.884 58.214 56.287 0.072 0.000 0.935 291 K CB -0.324 32.243 32.500 0.113 0.000 0.715 291 K HN 0.394 nan 8.250 nan 0.000 0.439 292 E N -0.170 119.987 120.200 -0.072 0.000 2.058 292 E HA -0.187 4.167 4.350 0.005 0.000 0.194 292 E C 1.886 178.504 176.600 0.029 0.000 0.997 292 E CA 1.666 57.994 56.400 -0.120 0.000 0.801 292 E CB -0.208 29.344 29.700 -0.247 0.000 0.746 292 E HN 0.340 nan 8.360 nan 0.000 0.450 293 F N 0.184 120.209 119.950 0.124 0.000 2.171 293 F HA -0.208 4.322 4.527 0.005 0.000 0.300 293 F C 2.469 178.400 175.800 0.219 0.000 1.090 293 F CA 0.357 58.501 58.000 0.240 0.000 1.293 293 F CB -0.030 39.165 39.000 0.324 0.000 1.013 293 F HN 0.038 nan 8.300 nan 0.000 0.486 294 M N -0.881 118.862 119.600 0.237 0.000 2.080 294 M HA -0.273 4.210 4.480 0.005 0.000 0.260 294 M C 2.092 178.440 176.300 0.080 0.000 1.068 294 M CA 1.868 57.208 55.300 0.066 0.000 1.109 294 M CB -1.443 31.070 32.600 -0.145 0.000 1.342 294 M HN 0.232 nan 8.290 nan 0.000 0.405 295 Y N 0.195 120.466 120.300 -0.048 0.000 2.293 295 Y HA -0.221 4.332 4.550 0.005 0.000 0.291 295 Y C 2.634 178.513 175.900 -0.035 0.000 1.137 295 Y CA 1.546 59.614 58.100 -0.053 0.000 1.202 295 Y CB -0.208 38.202 38.460 -0.084 0.000 0.990 295 Y HN 0.391 nan 8.280 nan 0.000 0.537 296 E N -0.626 119.632 120.200 0.095 0.000 2.015 296 E HA -0.219 4.134 4.350 0.005 0.000 0.191 296 E C 1.660 178.167 176.600 -0.157 0.000 0.991 296 E CA 1.616 57.956 56.400 -0.100 0.000 0.802 296 E CB -0.330 29.252 29.700 -0.197 0.000 0.759 296 E HN 0.502 nan 8.360 nan 0.000 0.447 297 W N 0.021 121.356 121.300 0.058 0.000 2.525 297 W HA 0.066 4.730 4.660 0.005 0.000 0.288 297 W C 2.135 178.618 176.519 -0.061 0.000 1.200 297 W CA -0.311 57.031 57.345 -0.006 0.000 1.349 297 W CB 0.199 29.639 29.460 -0.034 0.000 1.102 297 W HN 0.148 nan 8.180 nan 0.000 0.558 298 I N -0.436 120.202 120.570 0.113 0.000 2.556 298 I HA -0.064 4.109 4.170 0.005 0.000 0.251 298 I C 1.945 178.144 176.117 0.136 0.000 1.105 298 I CA 1.183 62.489 61.300 0.010 0.000 1.436 298 I CB -1.321 36.542 38.000 -0.229 0.000 1.139 298 I HN -0.010 nan 8.210 nan 0.000 0.438 299 I N 0.818 121.404 120.570 0.026 0.000 2.206 299 I HA -0.064 4.109 4.170 0.005 0.000 0.239 299 I C 2.648 178.793 176.117 0.046 0.000 1.078 299 I CA 1.487 62.816 61.300 0.049 0.000 1.367 299 I CB -0.972 36.891 38.000 -0.228 0.000 1.078 299 I HN 0.164 nan 8.210 nan 0.000 0.413 300 G N -0.248 108.552 108.800 0.001 0.000 2.408 300 G HA2 -0.230 3.733 3.960 0.005 0.000 0.217 300 G HA3 -0.230 3.733 3.960 0.005 0.000 0.217 300 G C 1.562 176.443 174.900 -0.030 0.000 1.150 300 G CA 0.559 45.648 45.100 -0.019 0.000 0.776 300 G HN 0.389 nan 8.290 nan 0.000 0.542 301 Q N -1.311 118.483 119.800 -0.009 0.000 2.252 301 Q HA 0.132 4.475 4.340 0.005 0.000 0.195 301 Q C 2.193 178.221 176.000 0.046 0.000 0.974 301 Q CA 0.106 55.914 55.803 0.009 0.000 0.846 301 Q CB -0.212 28.538 28.738 0.019 0.000 0.943 301 Q HN 0.293 nan 8.270 nan 0.000 0.516 302 F N 1.934 121.870 119.950 -0.023 0.000 2.075 302 F HA -0.175 4.355 4.527 0.005 0.000 0.297 302 F C 2.254 178.034 175.800 -0.033 0.000 1.113 302 F CA 1.788 59.750 58.000 -0.063 0.000 1.218 302 F CB -0.177 38.734 39.000 -0.148 0.000 0.984 302 F HN 0.165 nan 8.300 nan 0.000 0.472 303 E N 0.484 120.576 120.200 -0.180 0.000 2.110 303 E HA -0.257 4.096 4.350 0.005 0.000 0.193 303 E C 2.349 178.791 176.600 -0.265 0.000 0.988 303 E CA 1.046 57.291 56.400 -0.258 0.000 0.804 303 E CB -0.309 29.404 29.700 0.022 0.000 0.745 303 E HN 0.269 nan 8.360 nan 0.000 0.458 304 R N 0.860 121.260 120.500 -0.167 0.000 2.096 304 R HA -0.095 4.248 4.340 0.005 0.000 0.235 304 R C 2.391 178.605 176.300 -0.144 0.000 1.127 304 R CA 2.056 58.074 56.100 -0.137 0.000 0.968 304 R CB -0.785 29.464 30.300 -0.086 0.000 0.861 304 R HN 0.154 nan 8.270 nan 0.000 0.440 305 S N 0.322 115.923 115.700 -0.164 0.000 2.382 305 S HA -0.162 4.311 4.470 0.005 0.000 0.228 305 S C 2.057 176.605 174.600 -0.088 0.000 1.027 305 S CA 1.179 59.315 58.200 -0.107 0.000 0.991 305 S CB -0.726 62.432 63.200 -0.069 0.000 0.823 305 S HN 0.501 nan 8.310 nan 0.000 0.469 306 L N 0.728 121.832 121.223 -0.197 0.000 2.046 306 L HA -0.003 4.340 4.340 0.005 0.000 0.208 306 L C 2.414 179.218 176.870 -0.110 0.000 1.077 306 L CA 1.722 56.524 54.840 -0.064 0.000 0.747 306 L CB -0.398 41.552 42.059 -0.182 0.000 0.896 306 L HN 0.330 nan 8.230 nan 0.000 0.432 307 I N 0.186 120.665 120.570 -0.151 0.000 2.315 307 I HA -0.291 3.882 4.170 0.005 0.000 0.248 307 I C 1.986 178.039 176.117 -0.107 0.000 1.117 307 I CA 1.574 62.790 61.300 -0.139 0.000 1.404 307 I CB -0.397 37.506 38.000 -0.162 0.000 1.071 307 I HN 0.351 nan 8.210 nan 0.000 0.419 308 D N 0.834 121.178 120.400 -0.093 0.000 2.178 308 D HA -0.119 4.524 4.640 0.005 0.000 0.202 308 D C 2.044 178.302 176.300 -0.070 0.000 0.974 308 D CA 0.979 54.936 54.000 -0.073 0.000 0.841 308 D CB 0.035 40.801 40.800 -0.057 0.000 0.953 308 D HN 0.240 nan 8.370 nan 0.000 0.478 309 L N -1.377 119.800 121.223 -0.076 0.000 2.599 309 L HA 0.224 4.567 4.340 0.005 0.000 0.230 309 L C 1.635 178.439 176.870 -0.111 0.000 1.141 309 L CA 0.553 55.336 54.840 -0.096 0.000 0.877 309 L CB 0.107 42.089 42.059 -0.128 0.000 1.009 309 L HN 0.281 nan 8.230 nan 0.000 0.447 310 G N -0.488 108.251 108.800 -0.102 0.000 2.179 310 G HA2 -0.213 3.750 3.960 0.005 0.000 0.220 310 G HA3 -0.213 3.750 3.960 0.005 0.000 0.220 310 G C 0.234 175.076 174.900 -0.097 0.000 0.990 310 G CA -0.409 44.634 45.100 -0.094 0.000 0.646 310 G HN 0.143 nan 8.290 nan 0.000 0.517 311 L N 0.711 121.868 121.223 -0.110 0.000 2.468 311 L HA 0.479 4.822 4.340 0.005 0.000 0.254 311 L C 0.210 177.020 176.870 -0.099 0.000 1.171 311 L CA -0.704 54.080 54.840 -0.093 0.000 0.809 311 L CB 0.339 42.346 42.059 -0.087 0.000 1.155 311 L HN 0.041 nan 8.230 nan 0.000 0.473 312 D N 0.387 120.734 120.400 -0.088 0.000 2.229 312 D HA 0.215 4.858 4.640 0.005 0.000 0.249 312 D C -0.280 175.920 176.300 -0.167 0.000 1.027 312 D CA -0.547 53.380 54.000 -0.122 0.000 0.923 312 D CB 1.205 41.952 40.800 -0.089 0.000 1.174 312 D HN 0.274 nan 8.370 nan 0.000 0.443 313 K N 1.849 122.089 120.400 -0.267 0.000 2.561 313 K HA 0.034 4.357 4.320 0.005 0.000 0.280 313 K C -2.008 174.430 176.600 -0.271 0.000 0.975 313 K CA -0.608 55.449 56.287 -0.384 0.000 1.024 313 K CB -0.015 32.091 32.500 -0.657 0.000 0.883 313 K HN 0.249 nan 8.250 nan 0.000 0.496 314 P HA -0.131 nan 4.420 nan 0.000 0.269 314 P C 0.780 177.762 177.300 -0.531 0.000 1.215 314 P CA -0.084 62.685 63.100 -0.551 0.000 0.780 314 P CB 0.285 31.288 31.700 -1.160 0.000 0.898 315 W N 3.392 124.405 121.300 -0.479 0.000 2.350 315 W HA -0.206 4.457 4.660 0.005 0.000 0.289 315 W C 0.975 177.376 176.519 -0.196 0.000 1.215 315 W CA 0.888 58.054 57.345 -0.299 0.000 1.236 315 W CB -1.972 27.302 29.460 -0.310 0.000 1.130 315 W HN 0.355 nan 8.180 nan 0.000 0.541 316 Y N -2.530 117.287 120.300 -0.805 0.000 2.470 316 Y HA 0.184 4.737 4.550 0.005 0.000 0.302 316 Y C 2.239 178.054 175.900 -0.142 0.000 1.194 316 Y CA -1.600 56.045 58.100 -0.759 0.000 1.271 316 Y CB -1.694 35.847 38.460 -1.531 0.000 1.092 316 Y HN 0.085 nan 8.280 nan 0.000 0.513 317 W N 2.673 123.864 121.300 -0.181 0.000 2.290 317 W HA -0.309 4.354 4.660 0.005 0.000 0.323 317 W C 0.716 177.317 176.519 0.137 0.000 1.260 317 W CA 2.427 59.785 57.345 0.022 0.000 1.266 317 W CB -0.107 29.326 29.460 -0.045 0.000 1.149 317 W HN 0.265 nan 8.180 nan 0.000 0.482 318 D N 0.394 120.879 120.400 0.142 0.000 2.183 318 D HA -0.134 4.509 4.640 0.005 0.000 0.203 318 D C 2.275 178.587 176.300 0.020 0.000 0.969 318 D CA 1.414 55.419 54.000 0.008 0.000 0.842 318 D CB -0.596 40.266 40.800 0.103 0.000 0.957 318 D HN 0.304 nan 8.370 nan 0.000 0.484 319 L N 0.010 121.292 121.223 0.098 0.000 2.083 319 L HA -0.145 4.198 4.340 0.005 0.000 0.209 319 L C 2.393 179.399 176.870 0.228 0.000 1.083 319 L CA 0.664 55.587 54.840 0.139 0.000 0.752 319 L CB -0.408 41.695 42.059 0.073 0.000 0.899 319 L HN -0.039 nan 8.230 nan 0.000 0.433 320 F N 0.902 120.896 119.950 0.074 0.000 2.113 320 F HA -0.181 4.349 4.527 0.005 0.000 0.297 320 F C 2.175 177.794 175.800 -0.301 0.000 1.103 320 F CA 1.404 59.376 58.000 -0.048 0.000 1.248 320 F CB -0.381 38.620 39.000 0.001 0.000 0.999 320 F HN -0.139 nan 8.300 nan 0.000 0.475 321 L N 0.276 121.185 121.223 -0.523 0.000 2.012 321 L HA -0.269 4.074 4.340 0.005 0.000 0.210 321 L C 2.620 179.353 176.870 -0.227 0.000 1.073 321 L CA 2.013 56.522 54.840 -0.552 0.000 0.748 321 L CB -0.874 40.889 42.059 -0.493 0.000 0.891 321 L HN 0.139 nan 8.230 nan 0.000 0.431 322 K N 0.143 120.497 120.400 -0.076 0.000 2.063 322 K HA -0.234 4.089 4.320 0.005 0.000 0.208 322 K C 1.747 178.424 176.600 0.129 0.000 1.048 322 K CA 1.860 58.183 56.287 0.060 0.000 0.928 322 K CB -0.034 32.527 32.500 0.102 0.000 0.713 322 K HN 0.148 nan 8.250 nan 0.000 0.442 323 D N 0.628 121.111 120.400 0.139 0.000 2.149 323 D HA -0.139 4.504 4.640 0.005 0.000 0.198 323 D C 1.727 178.227 176.300 0.332 0.000 0.990 323 D CA 0.989 55.169 54.000 0.301 0.000 0.839 323 D CB -0.031 41.062 40.800 0.488 0.000 0.948 323 D HN 0.270 nan 8.370 nan 0.000 0.460 324 I N 0.636 121.196 120.570 -0.016 0.000 2.361 324 I HA -0.228 3.945 4.170 0.005 0.000 0.251 324 I C 1.356 177.677 176.117 0.341 0.000 1.133 324 I CA 0.987 62.322 61.300 0.058 0.000 1.413 324 I CB -0.089 37.723 38.000 -0.313 0.000 1.073 324 I HN -0.072 nan 8.210 nan 0.000 0.424 325 D N 0.295 120.877 120.400 0.303 0.000 2.317 325 D HA -0.074 4.569 4.640 0.005 0.000 0.211 325 D C 1.766 178.322 176.300 0.426 0.000 0.966 325 D CA 0.931 55.186 54.000 0.424 0.000 0.876 325 D CB 0.214 41.220 40.800 0.343 0.000 0.927 325 D HN 0.495 nan 8.370 nan 0.000 0.519 326 E N -0.964 119.460 120.200 0.373 0.000 2.475 326 E HA 0.071 4.424 4.350 0.005 0.000 0.205 326 E C 1.585 178.306 176.600 0.201 0.000 0.822 326 E CA -0.279 56.366 56.400 0.407 0.000 1.240 326 E CB 0.222 30.211 29.700 0.480 0.000 1.222 326 E HN -0.062 nan 8.360 nan 0.000 0.581 327 L N 2.745 124.082 121.223 0.190 0.000 1.994 327 L HA -0.166 4.177 4.340 0.005 0.000 0.208 327 L C 2.558 179.252 176.870 -0.293 0.000 1.071 327 L CA 2.052 56.847 54.840 -0.075 0.000 0.745 327 L CB -0.510 41.493 42.059 -0.093 0.000 0.892 327 L HN 0.321 nan 8.230 nan 0.000 0.431 328 H N -2.518 116.367 119.070 -0.309 0.000 2.491 328 H HA -0.141 4.418 4.556 0.005 0.000 0.290 328 H C 1.797 176.971 175.328 -0.256 0.000 1.050 328 H CA 1.656 57.498 56.048 -0.344 0.000 1.309 328 H CB -0.792 28.659 29.762 -0.517 0.000 1.392 328 H HN 0.522 nan 8.280 nan 0.000 0.554 329 H N 0.789 119.372 119.070 -0.812 0.000 2.389 329 H HA 0.014 4.573 4.556 0.005 0.000 0.299 329 H C 2.208 177.314 175.328 -0.371 0.000 1.081 329 H CA 1.386 56.944 56.048 -0.817 0.000 1.345 329 H CB 0.124 28.801 29.762 -1.809 0.000 1.393 329 H HN 0.368 nan 8.280 nan 0.000 0.520 330 S N 0.187 115.878 115.700 -0.015 0.000 2.395 330 S HA -0.081 4.392 4.470 0.005 0.000 0.225 330 S C 1.887 176.639 174.600 0.254 0.000 1.027 330 S CA 0.350 58.703 58.200 0.255 0.000 0.965 330 S CB -0.122 63.284 63.200 0.344 0.000 0.812 330 S HN 0.328 nan 8.310 nan 0.000 0.482 331 Y N 1.466 121.795 120.300 0.047 0.000 2.181 331 Y HA -0.120 4.433 4.550 0.006 0.000 0.288 331 Y C 2.484 178.438 175.900 0.090 0.000 1.146 331 Y CA 1.042 59.165 58.100 0.038 0.000 1.164 331 Y CB -1.388 37.067 38.460 -0.009 0.000 0.982 331 Y HN 0.437 nan 8.280 nan 0.000 0.515 332 H N -0.233 118.916 119.070 0.132 0.000 2.319 332 H HA -0.227 4.333 4.556 0.005 0.000 0.299 332 H C 2.383 177.846 175.328 0.226 0.000 1.092 332 H CA 2.341 58.423 56.048 0.057 0.000 1.302 332 H CB -0.468 29.089 29.762 -0.341 0.000 1.373 332 H HN 0.296 nan 8.280 nan 0.000 0.497 333 M N -0.439 119.185 119.600 0.040 0.000 2.108 333 M HA -0.118 4.365 4.480 0.005 0.000 0.261 333 M C 2.398 178.804 176.300 0.177 0.000 1.066 333 M CA 2.152 57.480 55.300 0.046 0.000 1.107 333 M CB -0.348 32.270 32.600 0.031 0.000 1.356 333 M HN 0.464 nan 8.290 nan 0.000 0.406 334 G N -0.868 108.051 108.800 0.198 0.000 2.404 334 G HA2 -0.150 3.813 3.960 0.005 0.000 0.215 334 G HA3 -0.150 3.813 3.960 0.005 0.000 0.215 334 G C 1.307 176.370 174.900 0.271 0.000 1.174 334 G CA 0.886 46.123 45.100 0.229 0.000 0.780 334 G HN 0.386 nan 8.290 nan 0.000 0.537 335 V N -0.533 119.513 119.914 0.220 0.000 2.407 335 V HA -0.139 3.984 4.120 0.005 0.000 0.248 335 V C 2.218 178.443 176.094 0.219 0.000 1.055 335 V CA 1.826 64.288 62.300 0.271 0.000 1.049 335 V CB -0.463 31.609 31.823 0.415 0.000 0.662 335 V HN 0.626 nan 8.190 nan 0.000 0.455 336 W N -0.522 120.815 121.300 0.061 0.000 2.407 336 W HA -0.196 4.468 4.660 0.006 0.000 0.305 336 W C 2.494 179.047 176.519 0.056 0.000 1.196 336 W CA 1.571 58.938 57.345 0.037 0.000 1.311 336 W CB -0.439 29.050 29.460 0.049 0.000 1.135 336 W HN 0.304 nan 8.180 nan 0.000 0.514 337 Y N -0.781 119.657 120.300 0.230 0.000 2.165 337 Y HA -0.228 4.325 4.550 0.005 0.000 0.286 337 Y C 1.673 177.326 175.900 -0.411 0.000 1.155 337 Y CA 2.062 60.096 58.100 -0.110 0.000 1.164 337 Y CB -0.551 37.860 38.460 -0.082 0.000 0.978 337 Y HN -0.062 nan 8.280 nan 0.000 0.513 338 W N 2.655 123.888 121.300 -0.112 0.000 3.213 338 W HA 0.110 4.773 4.660 0.004 0.000 0.430 338 W C 1.474 177.816 176.519 -0.294 0.000 0.975 338 W CA 0.033 57.249 57.345 -0.215 0.000 2.015 338 W CB -0.159 29.175 29.460 -0.210 0.000 1.047 338 W HN 0.306 nan 8.180 nan 0.000 0.797 339 R N -0.635 119.682 120.500 -0.306 0.000 2.139 339 R HA -0.172 4.171 4.340 0.005 0.000 0.243 339 R C 1.737 177.773 176.300 -0.439 0.000 1.145 339 R CA 1.796 57.636 56.100 -0.433 0.000 0.976 339 R CB -1.201 28.724 30.300 -0.625 0.000 0.866 339 R HN -0.111 nan 8.270 nan 0.000 0.449 340 T N 0.996 115.310 114.554 -0.400 0.000 3.025 340 T HA -0.078 4.275 4.350 0.005 0.000 0.270 340 T C 1.616 176.028 174.700 -0.480 0.000 1.126 340 T CA 1.705 63.552 62.100 -0.421 0.000 1.105 340 T CB -0.332 68.322 68.868 -0.357 0.000 0.884 340 T HN 0.697 nan 8.240 nan 0.000 0.522 341 T N -1.429 112.972 114.554 -0.256 0.000 3.107 341 T HA 0.622 4.975 4.350 0.005 0.000 0.249 341 T C 0.607 175.334 174.700 0.045 0.000 1.096 341 T CA 0.152 62.230 62.100 -0.037 0.000 1.012 341 T CB 0.055 69.094 68.868 0.285 0.000 0.977 341 T HN 0.333 nan 8.240 nan 0.000 0.527 342 A N 1.142 123.753 122.820 -0.347 0.000 2.282 342 A HA 0.588 4.911 4.320 0.005 0.000 0.319 342 A C 0.368 177.598 177.584 -0.589 0.000 1.121 342 A CA -1.030 50.478 52.037 -0.881 0.000 0.836 342 A CB 0.394 18.293 19.000 -1.836 0.000 1.146 342 A HN 0.743 nan 8.150 nan 0.000 0.494 343 W N -0.262 120.693 121.300 -0.575 0.000 3.353 343 W HA 0.464 5.127 4.660 0.005 0.000 0.304 343 W C -0.138 176.262 176.519 -0.199 0.000 1.273 343 W CA -0.809 56.201 57.345 -0.558 0.000 1.773 343 W CB -0.660 28.034 29.460 -1.277 0.000 1.095 343 W HN 0.588 nan 8.180 nan 0.000 0.676 344 W N 0.963 121.961 121.300 -0.503 0.000 2.929 344 W HA 0.599 5.262 4.660 0.005 0.000 0.345 344 W C -0.513 175.793 176.519 -0.355 0.000 1.151 344 W CA -1.519 55.585 57.345 -0.401 0.000 1.111 344 W CB 0.240 29.409 29.460 -0.484 0.000 1.449 344 W HN -0.356 nan 8.180 nan 0.000 0.572 345 N N 2.638 121.222 118.700 -0.193 0.000 2.589 345 N HA 0.300 5.043 4.740 0.005 0.000 0.232 345 N C -2.648 172.670 175.510 -0.321 0.000 1.015 345 N CA -1.690 51.181 53.050 -0.299 0.000 0.931 345 N CB 0.785 39.134 38.487 -0.230 0.000 1.150 345 N HN 0.039 nan 8.380 nan 0.000 0.512 346 P HA 0.065 nan 4.420 nan 0.000 0.268 346 P C -0.527 176.749 177.300 -0.041 0.000 1.204 346 P CA -0.228 62.684 63.100 -0.314 0.000 0.768 346 P CB 0.579 32.334 31.700 0.091 0.000 0.842 347 A N 3.442 126.193 122.820 -0.115 0.000 2.366 347 A HA 0.491 4.814 4.320 0.005 0.000 0.272 347 A C 1.542 179.279 177.584 0.256 0.000 1.135 347 A CA 0.135 52.279 52.037 0.178 0.000 0.804 347 A CB 0.142 19.271 19.000 0.214 0.000 1.064 347 A HN 0.563 nan 8.150 nan 0.000 0.499 348 A N 2.395 125.121 122.820 -0.157 0.000 1.902 348 A HA 0.332 4.655 4.320 0.005 0.000 0.217 348 A C 1.940 179.126 177.584 -0.663 0.000 1.181 348 A CA 1.622 53.135 52.037 -0.875 0.000 0.623 348 A CB -1.055 16.892 19.000 -1.755 0.000 0.818 348 A HN 2.657 nan 8.150 nan 0.000 0.443 349 G N -1.506 106.981 108.800 -0.521 0.000 2.221 349 G HA2 -0.105 3.858 3.960 0.005 0.000 0.265 349 G HA3 -0.105 3.858 3.960 0.005 0.000 0.265 349 G C 0.480 175.122 174.900 -0.430 0.000 1.041 349 G CA 0.871 45.798 45.100 -0.287 0.000 0.807 349 G HN 1.879 nan 8.290 nan 0.000 0.502 350 V N -2.201 117.294 119.914 -0.697 0.000 2.841 350 V HA 0.598 4.721 4.120 0.005 0.000 0.363 350 V C 0.887 176.800 176.094 -0.301 0.000 1.330 350 V CA 0.417 62.375 62.300 -0.570 0.000 1.207 350 V CB -0.376 30.942 31.823 -0.843 0.000 1.318 350 V HN 1.038 nan 8.190 nan 0.000 0.603 351 T N -1.484 112.945 114.554 -0.208 0.000 2.856 351 T HA 0.357 4.710 4.350 0.005 0.000 0.306 351 T C -1.201 173.480 174.700 -0.031 0.000 1.062 351 T CA -0.565 61.519 62.100 -0.027 0.000 1.083 351 T CB 1.082 69.936 68.868 -0.023 0.000 0.984 351 T HN 0.234 nan 8.240 nan 0.000 0.542 352 P HA -0.134 nan 4.420 nan 0.000 0.216 352 P C 1.482 178.779 177.300 -0.005 0.000 1.154 352 P CA 1.192 64.307 63.100 0.025 0.000 0.865 352 P CB 0.078 31.805 31.700 0.044 0.000 0.789 353 E N -0.380 119.808 120.200 -0.020 0.000 2.110 353 E HA -0.214 4.139 4.350 0.005 0.000 0.193 353 E C 1.804 178.378 176.600 -0.044 0.000 0.988 353 E CA 1.000 57.384 56.400 -0.026 0.000 0.804 353 E CB -0.132 29.545 29.700 -0.039 0.000 0.745 353 E HN 0.327 nan 8.360 nan 0.000 0.458 354 E N -0.101 120.037 120.200 -0.102 0.000 2.107 354 E HA -0.130 4.223 4.350 0.005 0.000 0.191 354 E C 2.180 178.679 176.600 -0.168 0.000 0.982 354 E CA 0.604 56.909 56.400 -0.158 0.000 0.809 354 E CB 0.063 29.611 29.700 -0.254 0.000 0.756 354 E HN 0.156 nan 8.360 nan 0.000 0.459 355 R N 0.811 121.204 120.500 -0.179 0.000 2.115 355 R HA -0.114 4.229 4.340 0.005 0.000 0.230 355 R C 1.643 177.876 176.300 -0.111 0.000 1.111 355 R CA 1.193 57.159 56.100 -0.224 0.000 0.976 355 R CB -0.075 30.204 30.300 -0.035 0.000 0.870 355 R HN 0.134 nan 8.270 nan 0.000 0.445 356 D N -0.244 120.142 120.400 -0.024 0.000 2.144 356 D HA -0.191 4.452 4.640 0.005 0.000 0.199 356 D C 1.429 177.737 176.300 0.012 0.000 0.984 356 D CA 0.869 54.876 54.000 0.010 0.000 0.834 356 D CB -0.244 40.573 40.800 0.028 0.000 0.955 356 D HN 0.282 nan 8.370 nan 0.000 0.465 357 W N 1.408 122.604 121.300 -0.172 0.000 2.379 357 W HA -0.075 4.588 4.660 0.005 0.000 0.307 357 W C 2.035 178.429 176.519 -0.209 0.000 1.200 357 W CA 0.998 58.236 57.345 -0.179 0.000 1.297 357 W CB -0.424 28.922 29.460 -0.190 0.000 1.140 357 W HN -0.111 nan 8.180 nan 0.000 0.507 358 L N 0.545 121.686 121.223 -0.136 0.000 2.043 358 L HA -0.256 4.087 4.340 0.005 0.000 0.212 358 L C 2.443 179.154 176.870 -0.266 0.000 1.075 358 L CA 1.996 56.575 54.840 -0.435 0.000 0.752 358 L CB -0.995 40.391 42.059 -1.122 0.000 0.891 358 L HN 0.013 nan 8.230 nan 0.000 0.432 359 E N 0.327 120.440 120.200 -0.146 0.000 2.106 359 E HA -0.259 4.094 4.350 0.005 0.000 0.192 359 E C 2.042 178.602 176.600 -0.068 0.000 0.984 359 E CA 1.343 57.756 56.400 0.021 0.000 0.806 359 E CB -0.005 29.737 29.700 0.069 0.000 0.750 359 E HN 0.427 nan 8.360 nan 0.000 0.458 360 E N -0.366 119.723 120.200 -0.185 0.000 2.072 360 E HA -0.190 4.163 4.350 0.005 0.000 0.191 360 E C 1.377 177.750 176.600 -0.379 0.000 0.985 360 E CA 1.021 57.273 56.400 -0.246 0.000 0.801 360 E CB 0.118 29.654 29.700 -0.273 0.000 0.750 360 E HN -0.003 nan 8.360 nan 0.000 0.452 361 K N -0.332 119.710 120.400 -0.597 0.000 2.305 361 K HA -0.016 4.307 4.320 0.005 0.000 0.199 361 K C -0.105 175.919 176.600 -0.959 0.000 1.047 361 K CA 0.578 56.330 56.287 -0.892 0.000 0.976 361 K CB 0.312 32.009 32.500 -1.338 0.000 0.765 361 K HN 0.224 nan 8.250 nan 0.000 0.474 362 Y N 0.485 120.693 120.300 -0.153 0.000 2.544 362 Y HA 0.277 4.830 4.550 0.005 0.000 0.347 362 Y C -2.573 173.386 175.900 0.099 0.000 1.089 362 Y CA -2.771 55.351 58.100 0.036 0.000 1.230 362 Y CB 1.078 39.633 38.460 0.158 0.000 1.101 362 Y HN -0.120 nan 8.280 nan 0.000 0.641 363 P HA 0.116 nan 4.420 nan 0.000 0.264 363 P C 1.015 178.436 177.300 0.201 0.000 1.183 363 P CA 1.692 64.869 63.100 0.127 0.000 0.763 363 P CB 0.771 32.502 31.700 0.051 0.000 0.807 364 G N 1.927 110.848 108.800 0.202 0.000 2.176 364 G HA2 -0.273 3.690 3.960 0.005 0.000 0.232 364 G HA3 -0.273 3.690 3.960 0.005 0.000 0.232 364 G C 0.868 175.929 174.900 0.269 0.000 0.986 364 G CA 0.100 45.316 45.100 0.193 0.000 0.643 364 G HN 0.552 nan 8.290 nan 0.000 0.522 365 W N 1.508 122.927 121.300 0.199 0.000 2.338 365 W HA -0.076 4.587 4.660 0.005 0.000 0.304 365 W C 2.158 178.823 176.519 0.243 0.000 1.212 365 W CA 2.136 59.655 57.345 0.290 0.000 1.264 365 W CB -0.138 29.417 29.460 0.158 0.000 1.142 365 W HN 0.268 nan 8.180 nan 0.000 0.512 366 N N 0.246 119.245 118.700 0.498 0.000 2.309 366 N HA -0.140 4.603 4.740 0.005 0.000 0.182 366 N C 1.269 176.820 175.510 0.068 0.000 1.018 366 N CA 1.389 54.639 53.050 0.333 0.000 0.876 366 N CB -0.345 38.354 38.487 0.353 0.000 0.972 366 N HN 0.318 nan 8.380 nan 0.000 0.434 367 K N 0.258 120.676 120.400 0.032 0.000 2.487 367 K HA 0.105 4.428 4.320 0.005 0.000 0.192 367 K C 1.438 177.939 176.600 -0.165 0.000 1.027 367 K CA 0.269 56.530 56.287 -0.043 0.000 1.054 367 K CB 0.512 33.005 32.500 -0.012 0.000 0.824 367 K HN 0.121 nan 8.250 nan 0.000 0.510 368 R N -0.702 119.622 120.500 -0.292 0.000 1.787 368 R HA 0.166 4.509 4.340 0.005 0.000 0.132 368 R C 1.626 177.506 176.300 -0.699 0.000 2.093 368 R CA -0.273 55.468 56.100 -0.599 0.000 1.747 368 R CB -0.407 29.314 30.300 -0.964 0.000 1.388 368 R HN 0.109 nan 8.270 nan 0.000 0.484 369 W N 1.267 122.188 121.300 -0.631 0.000 2.350 369 W HA -0.072 4.591 4.660 0.005 0.000 0.289 369 W C 1.963 178.103 176.519 -0.631 0.000 1.215 369 W CA 1.301 58.241 57.345 -0.675 0.000 1.236 369 W CB -0.822 28.163 29.460 -0.792 0.000 1.130 369 W HN 0.544 nan 8.180 nan 0.000 0.541 370 G N 0.761 109.143 108.800 -0.698 0.000 2.475 370 G HA2 -0.272 3.691 3.960 0.005 0.000 0.220 370 G HA3 -0.272 3.691 3.960 0.005 0.000 0.220 370 G C 1.717 176.614 174.900 -0.005 0.000 1.125 370 G CA 0.731 45.713 45.100 -0.196 0.000 0.755 370 G HN 0.046 nan 8.290 nan 0.000 0.565 371 R N 0.117 120.548 120.500 -0.114 0.000 2.081 371 R HA -0.036 4.307 4.340 0.005 0.000 0.235 371 R C 2.644 178.894 176.300 -0.083 0.000 1.131 371 R CA 1.170 57.218 56.100 -0.085 0.000 0.960 371 R CB -1.435 28.783 30.300 -0.138 0.000 0.856 371 R HN 0.455 nan 8.270 nan 0.000 0.436 372 C N -1.470 117.733 119.300 -0.160 0.000 2.466 372 C HA -0.041 4.422 4.460 0.005 0.000 0.278 372 C C 2.460 177.355 174.990 -0.157 0.000 1.288 372 C CA -0.244 58.639 59.018 -0.224 0.000 1.722 372 C CB -1.186 26.327 27.740 -0.378 0.000 2.017 372 C HN 0.552 nan 8.230 nan 0.000 0.488 373 W N 1.333 122.636 121.300 0.005 0.000 2.467 373 W HA -0.052 4.610 4.660 0.005 0.000 0.275 373 W C 2.046 178.625 176.519 0.100 0.000 1.239 373 W CA 0.550 57.931 57.345 0.061 0.000 1.266 373 W CB -0.386 29.147 29.460 0.122 0.000 1.112 373 W HN 0.329 nan 8.180 nan 0.000 0.576 374 D N 0.027 120.587 120.400 0.267 0.000 2.104 374 D HA -0.177 4.466 4.640 0.005 0.000 0.194 374 D C 2.255 178.647 176.300 0.154 0.000 0.994 374 D CA 1.611 55.727 54.000 0.193 0.000 0.830 374 D CB -0.755 40.117 40.800 0.119 0.000 0.959 374 D HN -0.010 nan 8.370 nan 0.000 0.452 375 V N 1.135 121.106 119.914 0.095 0.000 2.295 375 V HA -0.207 3.916 4.120 0.005 0.000 0.246 375 V C 2.558 178.727 176.094 0.126 0.000 1.049 375 V CA 1.106 63.447 62.300 0.067 0.000 1.024 375 V CB -0.400 31.424 31.823 0.001 0.000 0.648 375 V HN 0.170 nan 8.190 nan 0.000 0.447 376 I N 0.138 120.814 120.570 0.176 0.000 2.163 376 I HA -0.260 3.913 4.170 0.005 0.000 0.243 376 I C 2.593 178.931 176.117 0.368 0.000 1.085 376 I CA 1.995 63.474 61.300 0.297 0.000 1.347 376 I CB -0.717 37.493 38.000 0.350 0.000 1.044 376 I HN 0.315 nan 8.210 nan 0.000 0.408 377 T N 0.144 114.948 114.554 0.417 0.000 2.684 377 T HA -0.202 4.151 4.350 0.005 0.000 0.267 377 T C 1.726 176.550 174.700 0.206 0.000 1.036 377 T CA 1.569 63.916 62.100 0.412 0.000 1.148 377 T CB -0.318 68.805 68.868 0.426 0.000 0.863 377 T HN 0.411 nan 8.240 nan 0.000 0.436 378 E N 1.177 121.473 120.200 0.160 0.000 2.070 378 E HA -0.168 4.185 4.350 0.005 0.000 0.197 378 E C 2.212 178.845 176.600 0.055 0.000 1.004 378 E CA 1.448 57.900 56.400 0.087 0.000 0.805 378 E CB -0.290 29.452 29.700 0.070 0.000 0.744 378 E HN 0.579 nan 8.360 nan 0.000 0.451 379 N N 0.022 118.763 118.700 0.070 0.000 2.120 379 N HA -0.154 4.589 4.740 0.005 0.000 0.188 379 N C 1.865 177.363 175.510 -0.020 0.000 1.024 379 N CA 1.104 54.171 53.050 0.029 0.000 0.852 379 N CB 0.018 38.537 38.487 0.053 0.000 1.003 379 N HN -0.065 nan 8.380 nan 0.000 0.424 380 V N 1.461 121.374 119.914 -0.002 0.000 2.343 380 V HA -0.197 3.926 4.120 0.005 0.000 0.247 380 V C 2.102 178.110 176.094 -0.144 0.000 1.051 380 V CA 1.445 63.665 62.300 -0.134 0.000 1.036 380 V CB -0.502 31.238 31.823 -0.140 0.000 0.654 380 V HN 0.319 nan 8.190 nan 0.000 0.451 381 L N 0.105 121.282 121.223 -0.076 0.000 2.201 381 L HA -0.085 4.258 4.340 0.005 0.000 0.212 381 L C 1.803 178.639 176.870 -0.057 0.000 1.105 381 L CA 1.187 55.989 54.840 -0.064 0.000 0.775 381 L CB -0.435 41.613 42.059 -0.018 0.000 0.913 381 L HN 0.412 nan 8.230 nan 0.000 0.440 382 N N -0.248 118.423 118.700 -0.049 0.000 2.268 382 N HA -0.054 4.689 4.740 0.005 0.000 0.204 382 N C 0.005 175.476 175.510 -0.065 0.000 1.124 382 N CA 0.268 53.291 53.050 -0.045 0.000 0.838 382 N CB 0.322 38.793 38.487 -0.027 0.000 0.994 382 N HN 0.153 nan 8.380 nan 0.000 0.489 383 D N 1.008 121.350 120.400 -0.097 0.000 2.911 383 D HA -0.195 4.448 4.640 0.005 0.000 0.227 383 D C -0.390 175.841 176.300 -0.115 0.000 1.164 383 D CA 0.651 54.577 54.000 -0.123 0.000 0.782 383 D CB -0.998 39.742 40.800 -0.100 0.000 1.094 383 D HN 0.268 nan 8.370 nan 0.000 0.425 384 R N 0.344 120.785 120.500 -0.098 0.000 4.138 384 R HA 0.164 4.507 4.340 0.005 0.000 0.206 384 R C 1.323 177.559 176.300 -0.106 0.000 1.667 384 R CA -0.394 55.657 56.100 -0.082 0.000 1.481 384 R CB 0.144 30.415 30.300 -0.049 0.000 1.388 384 R HN 0.258 nan 8.270 nan 0.000 0.776 385 M N 0.859 120.370 119.600 -0.148 0.000 2.394 385 M HA -0.121 4.362 4.480 0.005 0.000 0.264 385 M C 1.484 177.686 176.300 -0.164 0.000 1.073 385 M CA 1.258 56.438 55.300 -0.200 0.000 1.111 385 M CB -0.595 31.854 32.600 -0.251 0.000 1.401 385 M HN 0.360 nan 8.290 nan 0.000 0.448 386 D N 0.391 120.716 120.400 -0.125 0.000 2.218 386 D HA -0.179 4.464 4.640 0.005 0.000 0.204 386 D C 1.745 177.980 176.300 -0.107 0.000 0.976 386 D CA 1.014 54.944 54.000 -0.116 0.000 0.853 386 D CB -0.652 40.097 40.800 -0.086 0.000 0.939 386 D HN 0.374 nan 8.370 nan 0.000 0.481 387 L N 0.828 122.008 121.223 -0.072 0.000 2.599 387 L HA 0.033 4.376 4.340 0.005 0.000 0.230 387 L C 1.820 178.710 176.870 0.033 0.000 1.141 387 L CA 0.159 54.993 54.840 -0.010 0.000 0.877 387 L CB 0.259 42.324 42.059 0.009 0.000 1.009 387 L HN 0.041 nan 8.230 nan 0.000 0.447 388 V N -5.806 114.054 119.914 -0.091 0.000 3.319 388 V HA 0.329 4.452 4.120 0.005 0.000 0.317 388 V C 0.478 176.173 176.094 -0.666 0.000 1.411 388 V CA -0.257 61.940 62.300 -0.171 0.000 1.112 388 V CB 0.266 32.150 31.823 0.101 0.000 1.031 388 V HN 0.152 nan 8.190 nan 0.000 0.448 389 S N 2.682 118.025 115.700 -0.595 0.000 2.536 389 S HA 0.712 5.185 4.470 0.005 0.000 0.287 389 S C -2.875 171.385 174.600 -0.565 0.000 1.101 389 S CA -0.861 56.920 58.200 -0.698 0.000 0.950 389 S CB 2.514 65.460 63.200 -0.424 0.000 1.056 389 S HN 0.423 nan 8.310 nan 0.000 0.481 390 P HA 0.405 nan 4.420 nan 0.000 0.281 390 P C -0.692 176.479 177.300 -0.214 0.000 1.249 390 P CA -0.398 62.445 63.100 -0.428 0.000 0.810 390 P CB 0.960 32.060 31.700 -1.001 0.000 1.008 391 E N -0.654 119.497 120.200 -0.081 0.000 2.660 391 E HA 0.179 4.532 4.350 0.005 0.000 0.216 391 E C 0.186 176.801 176.600 0.025 0.000 0.986 391 E CA -0.048 56.334 56.400 -0.030 0.000 1.037 391 E CB 0.931 30.614 29.700 -0.029 0.000 1.041 391 E HN 0.400 nan 8.360 nan 0.000 0.480 392 T N -0.515 114.091 114.554 0.087 0.000 2.681 392 T HA 0.487 4.840 4.350 0.005 0.000 0.296 392 T C -1.711 173.110 174.700 0.202 0.000 1.157 392 T CA -0.644 61.513 62.100 0.095 0.000 1.025 392 T CB 0.885 69.797 68.868 0.073 0.000 1.441 392 T HN -0.111 nan 8.240 nan 0.000 0.504 393 L N 3.228 124.442 121.223 -0.015 0.000 2.357 393 L HA 0.548 4.891 4.340 0.005 0.000 0.273 393 L C -1.820 174.893 176.870 -0.261 0.000 1.080 393 L CA -1.573 53.161 54.840 -0.176 0.000 0.803 393 L CB 0.519 42.345 42.059 -0.388 0.000 1.174 393 L HN 0.497 nan 8.230 nan 0.000 0.443 394 P HA 0.209 nan 4.420 nan 0.000 0.274 394 P C -0.852 176.197 177.300 -0.419 0.000 1.231 394 P CA -0.541 62.163 63.100 -0.660 0.000 0.790 394 P CB 0.751 31.788 31.700 -1.104 0.000 0.951 395 S N 0.213 115.737 115.700 -0.293 0.000 2.564 395 S HA 0.295 4.768 4.470 0.005 0.000 0.278 395 S C 0.198 174.670 174.600 -0.213 0.000 1.333 395 S CA -0.446 57.626 58.200 -0.214 0.000 1.048 395 S CB 0.315 63.407 63.200 -0.180 0.000 0.900 395 S HN 0.238 nan 8.310 nan 0.000 0.505 396 V N 2.132 121.953 119.914 -0.155 0.000 2.604 396 V HA 0.291 4.414 4.120 0.005 0.000 0.305 396 V C 0.248 176.314 176.094 -0.046 0.000 1.043 396 V CA -1.056 61.168 62.300 -0.125 0.000 0.888 396 V CB 1.737 33.482 31.823 -0.130 0.000 0.995 396 V HN 1.098 nan 8.190 nan 0.000 0.429 397 C N 4.278 123.575 119.300 -0.005 0.000 2.648 397 C HA 0.088 4.551 4.460 0.005 0.000 0.419 397 C C 1.866 176.862 174.990 0.010 0.000 1.352 397 C CA -0.178 58.866 59.018 0.044 0.000 1.816 397 C CB -0.618 27.215 27.740 0.154 0.000 2.598 397 C HN 0.922 nan 8.230 nan 0.000 0.598 398 N N 3.135 121.768 118.700 -0.112 0.000 2.521 398 N HA -0.070 4.673 4.740 0.005 0.000 0.188 398 N C 1.032 176.661 175.510 0.199 0.000 1.146 398 N CA 0.731 53.764 53.050 -0.030 0.000 0.893 398 N CB 0.100 38.451 38.487 -0.226 0.000 0.975 398 N HN 0.787 nan 8.380 nan 0.000 0.451 399 M N -0.028 119.746 119.600 0.291 0.000 2.969 399 M HA 0.046 4.529 4.480 0.005 0.000 0.234 399 M C 2.046 178.351 176.300 0.009 0.000 1.409 399 M CA 1.107 56.543 55.300 0.226 0.000 1.314 399 M CB -0.587 32.224 32.600 0.351 0.000 1.130 399 M HN -0.014 nan 8.290 nan 0.000 0.558 400 S N -0.549 115.223 115.700 0.121 0.000 2.481 400 S HA -0.066 4.407 4.470 0.005 0.000 0.231 400 S C 0.654 175.262 174.600 0.015 0.000 0.996 400 S CA 0.809 59.056 58.200 0.077 0.000 0.942 400 S CB -0.342 62.923 63.200 0.109 0.000 0.768 400 S HN 0.629 nan 8.310 nan 0.000 0.520 401 Q N -0.537 119.262 119.800 -0.002 0.000 2.460 401 Q HA -0.139 4.204 4.340 0.005 0.000 0.248 401 Q C -0.506 175.544 176.000 0.083 0.000 0.847 401 Q CA 1.047 56.877 55.803 0.046 0.000 1.214 401 Q CB -2.653 26.132 28.738 0.078 0.000 1.523 401 Q HN 0.749 nan 8.270 nan 0.000 0.602 402 I N 0.564 121.131 120.570 -0.004 0.000 2.493 402 I HA 0.358 4.531 4.170 0.005 0.000 0.298 402 I C -2.049 173.945 176.117 -0.205 0.000 0.998 402 I CA -2.536 58.674 61.300 -0.150 0.000 1.137 402 I CB 1.658 39.437 38.000 -0.369 0.000 1.310 402 I HN -0.296 nan 8.210 nan 0.000 0.445 403 P HA -0.062 nan 4.420 nan 0.000 0.265 403 P C -0.800 176.477 177.300 -0.037 0.000 1.167 403 P CA 0.360 63.286 63.100 -0.289 0.000 0.760 403 P CB 0.258 31.706 31.700 -0.419 0.000 0.783 404 L N 3.561 124.761 121.223 -0.038 0.000 2.385 404 L HA 0.248 4.591 4.340 0.005 0.000 0.281 404 L C 0.790 177.698 176.870 0.064 0.000 1.106 404 L CA -0.216 54.657 54.840 0.056 0.000 0.856 404 L CB -0.067 41.998 42.059 0.011 0.000 1.186 404 L HN 0.201 nan 8.230 nan 0.000 0.453 405 V N 0.585 120.584 119.914 0.142 0.000 3.158 405 V HA 1.097 5.220 4.120 0.005 0.000 0.315 405 V C 0.046 176.208 176.094 0.114 0.000 1.148 405 V CA -0.196 62.182 62.300 0.130 0.000 1.042 405 V CB 1.731 33.665 31.823 0.184 0.000 1.101 405 V HN 0.712 nan 8.190 nan 0.000 0.448 406 G N -0.706 108.160 108.800 0.110 0.000 2.731 406 G HA2 0.569 4.532 3.960 0.005 0.000 0.309 406 G HA3 0.569 4.532 3.960 0.005 0.000 0.309 406 G C -1.549 173.402 174.900 0.083 0.000 1.273 406 G CA -0.333 44.807 45.100 0.067 0.000 0.798 406 G HN 1.110 nan 8.290 nan 0.000 0.509 407 V N 3.079 122.974 119.914 -0.032 0.000 2.383 407 V HA 0.469 4.592 4.120 0.005 0.000 0.275 407 V C -1.671 174.297 176.094 -0.211 0.000 1.036 407 V CA -0.958 61.225 62.300 -0.194 0.000 0.889 407 V CB 1.315 33.010 31.823 -0.214 0.000 0.985 407 V HN 0.607 nan 8.190 nan 0.000 0.459 408 P HA 0.624 nan 4.420 nan 0.000 0.287 408 P C 0.357 177.483 177.300 -0.290 0.000 1.296 408 P CA 0.484 63.463 63.100 -0.202 0.000 0.811 408 P CB 1.601 33.118 31.700 -0.305 0.000 1.211 409 G N 0.263 108.946 108.800 -0.195 0.000 2.512 409 G HA2 -0.239 3.724 3.960 0.005 0.000 0.240 409 G HA3 -0.239 3.724 3.960 0.005 0.000 0.240 409 G C 0.521 175.355 174.900 -0.109 0.000 1.246 409 G CA 0.567 45.548 45.100 -0.197 0.000 0.919 409 G HN 0.404 nan 8.290 nan 0.000 0.577 410 D N 1.571 121.905 120.400 -0.110 0.000 2.149 410 D HA 0.022 4.665 4.640 0.005 0.000 0.198 410 D C 1.491 177.779 176.300 -0.019 0.000 0.990 410 D CA 1.948 55.914 54.000 -0.058 0.000 0.839 410 D CB -0.108 40.661 40.800 -0.052 0.000 0.948 410 D HN 0.660 nan 8.370 nan 0.000 0.460 411 D N -0.776 119.604 120.400 -0.034 0.000 3.018 411 D HA -0.023 4.620 4.640 0.005 0.000 0.331 411 D C -0.438 175.873 176.300 0.018 0.000 1.334 411 D CA -0.908 53.092 54.000 -0.000 0.000 0.900 411 D CB -1.040 39.748 40.800 -0.021 0.000 1.059 411 D HN 0.056 nan 8.370 nan 0.000 0.498 412 W N 2.395 123.611 121.300 -0.140 0.000 2.513 412 W HA 0.092 4.755 4.660 0.005 0.000 0.339 412 W C -0.647 175.815 176.519 -0.094 0.000 1.257 412 W CA 0.445 57.706 57.345 -0.139 0.000 1.280 412 W CB -0.008 29.378 29.460 -0.123 0.000 1.214 412 W HN 0.235 nan 8.180 nan 0.000 0.567 413 N N 6.720 125.120 118.700 -0.501 0.000 2.478 413 N HA 0.498 5.241 4.740 0.005 0.000 0.291 413 N C -2.038 173.119 175.510 -0.589 0.000 1.090 413 N CA -0.676 52.007 53.050 -0.613 0.000 0.911 413 N CB 1.001 39.325 38.487 -0.273 0.000 1.546 413 N HN 0.463 nan 8.380 nan 0.000 0.500 414 I N 1.381 121.516 120.570 -0.726 0.000 2.619 414 I HA 0.494 4.667 4.170 0.005 0.000 0.292 414 I C -1.409 174.525 176.117 -0.306 0.000 1.100 414 I CA -0.486 60.581 61.300 -0.388 0.000 1.043 414 I CB 1.756 39.583 38.000 -0.288 0.000 1.239 414 I HN 0.592 nan 8.210 nan 0.000 0.420 415 E N 5.821 125.918 120.200 -0.172 0.000 2.290 415 E HA 0.540 4.893 4.350 0.005 0.000 0.274 415 E C -1.929 174.515 176.600 -0.261 0.000 0.889 415 E CA -0.648 55.581 56.400 -0.286 0.000 0.760 415 E CB 2.322 31.790 29.700 -0.386 0.000 1.206 415 E HN 0.390 nan 8.360 nan 0.000 0.419 416 V N 4.657 124.383 119.914 -0.313 0.000 2.483 416 V HA 0.433 4.556 4.120 0.005 0.000 0.295 416 V C -0.736 175.184 176.094 -0.291 0.000 1.035 416 V CA -0.527 61.692 62.300 -0.135 0.000 0.896 416 V CB 1.058 32.843 31.823 -0.064 0.000 0.986 416 V HN 0.566 nan 8.190 nan 0.000 0.447 417 F N 2.425 122.494 119.950 0.199 0.000 2.332 417 F HA 0.509 5.039 4.527 0.005 0.000 0.368 417 F C 0.792 176.776 175.800 0.307 0.000 1.110 417 F CA -0.078 58.059 58.000 0.228 0.000 1.087 417 F CB 1.446 40.587 39.000 0.233 0.000 1.235 417 F HN 0.403 nan 8.300 nan 0.000 0.470 418 S N 3.464 119.361 115.700 0.328 0.000 2.690 418 S HA 0.797 5.270 4.470 0.005 0.000 0.291 418 S C -1.212 173.529 174.600 0.235 0.000 1.138 418 S CA -0.616 57.741 58.200 0.261 0.000 1.013 418 S CB 1.899 65.232 63.200 0.222 0.000 1.053 418 S HN 0.487 nan 8.310 nan 0.000 0.539 419 L N 1.631 122.949 121.223 0.159 0.000 2.526 419 L HA 0.454 4.797 4.340 0.005 0.000 0.263 419 L C -1.341 175.637 176.870 0.180 0.000 0.943 419 L CA -0.102 54.843 54.840 0.174 0.000 0.859 419 L CB 1.885 44.060 42.059 0.193 0.000 1.313 419 L HN 0.652 nan 8.230 nan 0.000 0.406 420 E N 2.884 123.190 120.200 0.177 0.000 2.197 420 E HA 0.485 4.838 4.350 0.005 0.000 0.281 420 E C -1.472 175.317 176.600 0.315 0.000 0.995 420 E CA -0.502 56.025 56.400 0.212 0.000 0.808 420 E CB 1.288 31.064 29.700 0.128 0.000 1.093 420 E HN 0.584 nan 8.360 nan 0.000 0.394 421 H N 2.809 122.058 119.070 0.298 0.000 3.042 421 H HA 0.189 4.748 4.556 0.005 0.000 0.345 421 H C -0.891 174.628 175.328 0.318 0.000 1.052 421 H CA -0.648 55.579 56.048 0.297 0.000 1.311 421 H CB 0.446 30.389 29.762 0.300 0.000 1.810 421 H HN 0.417 nan 8.280 nan 0.000 0.505 422 N N 3.674 122.224 118.700 -0.251 0.000 2.716 422 N HA -0.169 4.574 4.740 0.005 0.000 0.250 422 N C 0.879 176.388 175.510 -0.001 0.000 1.033 422 N CA 1.852 54.801 53.050 -0.169 0.000 0.727 422 N CB -1.341 36.995 38.487 -0.251 0.000 0.950 422 N HN 1.275 nan 8.380 nan 0.000 0.541 423 G N -0.872 107.948 108.800 0.033 0.000 2.198 423 G HA2 -0.359 3.604 3.960 0.005 0.000 0.260 423 G HA3 -0.359 3.604 3.960 0.005 0.000 0.260 423 G C 0.002 174.917 174.900 0.024 0.000 1.025 423 G CA 0.692 45.810 45.100 0.031 0.000 0.769 423 G HN 0.808 nan 8.290 nan 0.000 0.507 424 R N -1.033 119.498 120.500 0.052 0.000 2.725 424 R HA 0.704 5.047 4.340 0.005 0.000 0.277 424 R C -1.153 175.075 176.300 -0.120 0.000 0.987 424 R CA -1.146 54.905 56.100 -0.082 0.000 0.901 424 R CB 1.080 31.272 30.300 -0.181 0.000 1.207 424 R HN 0.289 nan 8.270 nan 0.000 0.463 425 L N 4.255 125.321 121.223 -0.261 0.000 2.272 425 L HA 0.441 4.784 4.340 0.005 0.000 0.289 425 L C -1.665 174.864 176.870 -0.568 0.000 1.032 425 L CA -0.136 54.539 54.840 -0.275 0.000 0.810 425 L CB 0.761 42.698 42.059 -0.204 0.000 1.205 425 L HN 0.563 nan 8.230 nan 0.000 0.422 426 Y N 3.698 123.713 120.300 -0.476 0.000 2.487 426 Y HA 0.619 5.172 4.550 0.005 0.000 0.337 426 Y C -0.126 175.210 175.900 -0.939 0.000 1.076 426 Y CA -0.763 56.933 58.100 -0.673 0.000 1.115 426 Y CB 1.652 39.717 38.460 -0.657 0.000 1.235 426 Y HN 0.456 nan 8.280 nan 0.000 0.468 427 H N 2.215 120.981 119.070 -0.507 0.000 2.667 427 H HA 0.411 4.970 4.556 0.005 0.000 0.353 427 H C -1.604 173.356 175.328 -0.614 0.000 1.072 427 H CA -1.080 54.743 56.048 -0.375 0.000 1.214 427 H CB 1.620 31.279 29.762 -0.170 0.000 1.600 427 H HN 0.510 nan 8.280 nan 0.000 0.527 428 F N -0.634 119.469 119.950 0.256 0.000 2.546 428 F HA 0.354 4.884 4.527 0.005 0.000 0.320 428 F C 1.511 177.511 175.800 0.333 0.000 1.076 428 F CA -0.776 57.369 58.000 0.242 0.000 0.928 428 F CB 1.709 40.824 39.000 0.191 0.000 1.189 428 F HN 0.671 nan 8.300 nan 0.000 0.465 429 G N 0.031 109.125 108.800 0.490 0.000 2.848 429 G HA2 0.309 4.272 3.960 0.005 0.000 0.208 429 G HA3 0.309 4.272 3.960 0.005 0.000 0.208 429 G C -0.120 175.086 174.900 0.510 0.000 1.152 429 G CA 0.720 46.088 45.100 0.448 0.000 0.789 429 G HN 0.657 nan 8.290 nan 0.000 0.531 430 S N -2.326 113.619 115.700 0.408 0.000 2.615 430 S HA 0.341 4.814 4.470 0.005 0.000 0.268 430 S C 0.266 174.453 174.600 -0.687 0.000 1.146 430 S CA -0.625 57.526 58.200 -0.083 0.000 0.818 430 S CB 1.335 64.642 63.200 0.178 0.000 1.111 430 S HN -0.110 nan 8.310 nan 0.000 0.465 431 E N 0.700 120.154 120.200 -1.245 0.000 2.110 431 E HA -0.081 4.272 4.350 0.005 0.000 0.193 431 E C 2.012 178.443 176.600 -0.282 0.000 0.988 431 E CA 1.544 57.480 56.400 -0.774 0.000 0.804 431 E CB -0.403 29.022 29.700 -0.459 0.000 0.745 431 E HN 0.529 nan 8.360 nan 0.000 0.458 432 V N 1.772 121.392 119.914 -0.489 0.000 2.379 432 V HA -0.193 3.930 4.120 0.005 0.000 0.245 432 V C 1.945 177.894 176.094 -0.243 0.000 1.044 432 V CA 1.628 63.592 62.300 -0.560 0.000 1.036 432 V CB -0.423 30.148 31.823 -2.086 0.000 0.664 432 V HN 0.113 nan 8.190 nan 0.000 0.453 433 D N 0.137 120.429 120.400 -0.180 0.000 2.117 433 D HA -0.201 4.442 4.640 0.005 0.000 0.197 433 D C 2.306 178.380 176.300 -0.376 0.000 0.987 433 D CA 1.509 55.522 54.000 0.021 0.000 0.829 433 D CB -0.108 40.885 40.800 0.323 0.000 0.961 433 D HN 0.350 nan 8.370 nan 0.000 0.460 434 R N -0.223 119.971 120.500 -0.510 0.000 2.081 434 R HA -0.176 4.167 4.340 0.005 0.000 0.235 434 R C 2.254 178.328 176.300 -0.377 0.000 1.131 434 R CA 1.365 56.929 56.100 -0.894 0.000 0.960 434 R CB -0.407 29.707 30.300 -0.309 0.000 0.856 434 R HN 0.229 nan 8.270 nan 0.000 0.436 435 W N 0.450 121.593 121.300 -0.262 0.000 2.358 435 W HA -0.190 4.473 4.660 0.005 0.000 0.303 435 W C 1.663 178.144 176.519 -0.064 0.000 1.208 435 W CA 1.417 58.697 57.345 -0.108 0.000 1.274 435 W CB -0.394 29.089 29.460 0.038 0.000 1.138 435 W HN -0.130 nan 8.180 nan 0.000 0.515 436 V N 1.034 120.917 119.914 -0.052 0.000 2.287 436 V HA -0.338 3.785 4.120 0.005 0.000 0.248 436 V C 2.125 178.046 176.094 -0.288 0.000 1.053 436 V CA 2.211 64.380 62.300 -0.219 0.000 1.027 436 V CB -1.333 30.495 31.823 0.009 0.000 0.646 436 V HN 0.314 nan 8.190 nan 0.000 0.447 437 F N 0.778 120.413 119.950 -0.525 0.000 2.095 437 F HA -0.261 4.269 4.527 0.005 0.000 0.298 437 F C 2.561 178.189 175.800 -0.286 0.000 1.104 437 F CA 2.064 59.776 58.000 -0.481 0.000 1.232 437 F CB -0.161 38.469 39.000 -0.616 0.000 0.987 437 F HN 0.152 nan 8.300 nan 0.000 0.475 438 Q N -0.513 119.233 119.800 -0.089 0.000 2.291 438 Q HA -0.185 4.158 4.340 0.005 0.000 0.205 438 Q C 1.988 177.834 176.000 -0.256 0.000 0.970 438 Q CA 0.881 56.607 55.803 -0.129 0.000 0.876 438 Q CB -0.126 28.556 28.738 -0.094 0.000 0.935 438 Q HN 0.453 nan 8.270 nan 0.000 0.455 439 Q N 0.278 119.847 119.800 -0.384 0.000 2.230 439 Q HA -0.072 4.271 4.340 0.005 0.000 0.202 439 Q C 0.206 176.070 176.000 -0.226 0.000 0.963 439 Q CA 1.042 56.619 55.803 -0.377 0.000 0.866 439 Q CB 0.281 28.689 28.738 -0.551 0.000 0.931 439 Q HN 0.177 nan 8.270 nan 0.000 0.452 440 D N -1.546 118.742 120.400 -0.187 0.000 2.978 440 D HA 0.164 4.807 4.640 0.005 0.000 0.268 440 D C -2.185 173.935 176.300 -0.300 0.000 1.252 440 D CA -1.503 52.379 54.000 -0.198 0.000 0.771 440 D CB 0.745 41.438 40.800 -0.178 0.000 1.361 440 D HN -0.168 nan 8.370 nan 0.000 0.558 441 P HA -0.111 nan 4.420 nan 0.000 0.218 441 P C 1.646 178.714 177.300 -0.386 0.000 1.148 441 P CA 0.495 63.218 63.100 -0.629 0.000 0.822 441 P CB 0.450 31.819 31.700 -0.552 0.000 0.784 442 V N -0.238 119.530 119.914 -0.242 0.000 2.594 442 V HA -0.237 3.886 4.120 0.005 0.000 0.253 442 V C 2.667 178.608 176.094 -0.254 0.000 1.069 442 V CA 1.770 63.971 62.300 -0.165 0.000 1.082 442 V CB -1.270 30.483 31.823 -0.117 0.000 0.680 442 V HN 0.126 nan 8.190 nan 0.000 0.469 443 Q N -0.567 118.947 119.800 -0.477 0.000 2.167 443 Q HA -0.152 4.191 4.340 0.005 0.000 0.202 443 Q C 1.621 177.230 176.000 -0.652 0.000 0.970 443 Q CA 2.027 57.403 55.803 -0.710 0.000 0.855 443 Q CB -0.093 27.922 28.738 -1.205 0.000 0.911 443 Q HN 0.813 nan 8.270 nan 0.000 0.438 444 Y N -1.490 118.714 120.300 -0.161 0.000 2.452 444 Y HA 0.124 4.677 4.550 0.005 0.000 0.262 444 Y C 1.982 178.002 175.900 0.199 0.000 1.089 444 Y CA 0.052 58.153 58.100 0.002 0.000 1.262 444 Y CB -0.024 38.383 38.460 -0.088 0.000 1.236 444 Y HN 0.144 nan 8.280 nan 0.000 0.512 445 Q N 0.645 120.562 119.800 0.195 0.000 2.181 445 Q HA -0.157 4.186 4.340 0.005 0.000 0.205 445 Q C 0.402 176.744 176.000 0.571 0.000 0.980 445 Q CA 1.802 57.875 55.803 0.450 0.000 0.862 445 Q CB -0.350 28.629 28.738 0.402 0.000 0.905 445 Q HN 0.310 nan 8.270 nan 0.000 0.429 446 N N 0.237 119.166 118.700 0.382 0.000 2.235 446 N HA 0.012 4.755 4.740 0.005 0.000 0.209 446 N C -0.549 175.143 175.510 0.303 0.000 1.122 446 N CA 0.029 53.265 53.050 0.310 0.000 0.845 446 N CB 0.140 38.747 38.487 0.199 0.000 1.004 446 N HN 0.358 nan 8.380 nan 0.000 0.499 447 H N 1.397 120.663 119.070 0.327 0.000 2.764 447 H HA 0.150 4.709 4.556 0.005 0.000 0.341 447 H C -0.366 175.139 175.328 0.295 0.000 1.072 447 H CA 0.299 56.537 56.048 0.316 0.000 1.444 447 H CB 0.802 30.816 29.762 0.420 0.000 1.458 447 H HN -0.117 nan 8.280 nan 0.000 0.572 448 M N 4.841 124.191 119.600 -0.418 0.000 2.167 448 M HA 0.093 4.576 4.480 0.005 0.000 0.333 448 M C 0.240 176.388 176.300 -0.253 0.000 1.030 448 M CA -1.026 54.154 55.300 -0.201 0.000 0.963 448 M CB 1.252 33.789 32.600 -0.105 0.000 1.589 448 M HN 0.648 nan 8.290 nan 0.000 0.431 449 N N 2.072 120.780 118.700 0.014 0.000 2.347 449 N HA 0.129 4.872 4.740 0.005 0.000 0.253 449 N C 0.593 176.149 175.510 0.076 0.000 1.274 449 N CA -0.402 52.714 53.050 0.110 0.000 0.941 449 N CB 0.878 39.444 38.487 0.131 0.000 1.200 449 N HN 0.673 nan 8.380 nan 0.000 0.514 450 I N 0.118 120.758 120.570 0.117 0.000 2.264 450 I HA -0.209 3.964 4.170 0.005 0.000 0.248 450 I C 1.669 177.823 176.117 0.062 0.000 1.111 450 I CA 1.171 62.544 61.300 0.121 0.000 1.382 450 I CB -0.025 38.081 38.000 0.176 0.000 1.060 450 I HN 0.459 nan 8.210 nan 0.000 0.418 451 V N 0.714 120.639 119.914 0.017 0.000 2.358 451 V HA -0.257 3.866 4.120 0.005 0.000 0.246 451 V C 2.131 178.264 176.094 0.066 0.000 1.047 451 V CA 2.043 64.350 62.300 0.011 0.000 1.035 451 V CB -0.930 30.862 31.823 -0.052 0.000 0.658 451 V HN 0.411 nan 8.190 nan 0.000 0.452 452 D N 0.214 120.632 120.400 0.030 0.000 2.123 452 D HA -0.181 4.462 4.640 0.005 0.000 0.196 452 D C 2.367 178.674 176.300 0.012 0.000 0.992 452 D CA 1.344 55.349 54.000 0.009 0.000 0.833 452 D CB -0.259 40.531 40.800 -0.017 0.000 0.954 452 D HN 0.431 nan 8.370 nan 0.000 0.455 453 R N -0.410 120.098 120.500 0.014 0.000 2.075 453 R HA -0.088 4.255 4.340 0.005 0.000 0.232 453 R C 2.322 178.604 176.300 -0.031 0.000 1.126 453 R CA 0.632 56.717 56.100 -0.025 0.000 0.963 453 R CB -0.466 29.803 30.300 -0.052 0.000 0.858 453 R HN 0.165 nan 8.270 nan 0.000 0.435 454 F N 1.558 121.430 119.950 -0.130 0.000 2.102 454 F HA -0.132 4.398 4.527 0.005 0.000 0.298 454 F C 1.913 177.665 175.800 -0.081 0.000 1.105 454 F CA 1.432 59.361 58.000 -0.117 0.000 1.239 454 F CB -0.141 38.808 39.000 -0.085 0.000 0.991 454 F HN -0.112 nan 8.300 nan 0.000 0.474 455 L N -0.399 120.878 121.223 0.089 0.000 2.201 455 L HA -0.123 4.220 4.340 0.005 0.000 0.212 455 L C 2.398 179.227 176.870 -0.069 0.000 1.105 455 L CA 0.942 55.781 54.840 -0.002 0.000 0.775 455 L CB -0.882 41.205 42.059 0.048 0.000 0.913 455 L HN 0.229 nan 8.230 nan 0.000 0.440 456 A N -0.585 122.195 122.820 -0.067 0.000 2.251 456 A HA 0.317 4.640 4.320 0.005 0.000 0.209 456 A C 1.660 179.188 177.584 -0.093 0.000 1.187 456 A CA 0.671 52.667 52.037 -0.068 0.000 0.823 456 A CB -0.257 18.715 19.000 -0.046 0.000 0.846 456 A HN 0.481 nan 8.150 nan 0.000 0.486 457 G N -0.947 107.763 108.800 -0.150 0.000 2.137 457 G HA2 -0.280 3.683 3.960 0.005 0.000 0.237 457 G HA3 -0.280 3.683 3.960 0.005 0.000 0.237 457 G C 0.540 175.362 174.900 -0.130 0.000 1.002 457 G CA 0.537 45.542 45.100 -0.159 0.000 0.702 457 G HN 0.533 nan 8.290 nan 0.000 0.515 458 Q N -0.891 118.824 119.800 -0.141 0.000 2.424 458 Q HA 0.333 4.676 4.340 0.005 0.000 0.204 458 Q C 1.036 176.916 176.000 -0.200 0.000 0.933 458 Q CA 0.506 56.238 55.803 -0.118 0.000 0.929 458 Q CB 0.456 29.142 28.738 -0.088 0.000 1.037 458 Q HN 0.702 nan 8.270 nan 0.000 0.511 459 I N 2.100 122.505 120.570 -0.276 0.000 2.371 459 I HA 0.200 4.373 4.170 0.005 0.000 0.282 459 I C -0.664 175.366 176.117 -0.146 0.000 1.031 459 I CA -0.542 60.588 61.300 -0.282 0.000 1.180 459 I CB 0.968 38.800 38.000 -0.279 0.000 1.336 459 I HN -0.074 nan 8.210 nan 0.000 0.467 460 Q N 7.293 127.072 119.800 -0.035 0.000 2.330 460 Q HA 0.523 4.866 4.340 0.005 0.000 0.269 460 Q C -2.242 173.788 176.000 0.049 0.000 1.022 460 Q CA -1.644 54.150 55.803 -0.015 0.000 0.796 460 Q CB 2.494 31.225 28.738 -0.012 0.000 1.271 460 Q HN 0.398 nan 8.270 nan 0.000 0.450 461 P HA 0.292 nan 4.420 nan 0.000 0.275 461 P C -0.367 176.933 177.300 -0.000 0.000 1.266 461 P CA -0.459 62.645 63.100 0.007 0.000 0.793 461 P CB 0.898 32.614 31.700 0.026 0.000 1.074 462 M N 0.831 120.396 119.600 -0.060 0.000 3.561 462 M HA 0.168 4.651 4.480 0.005 0.000 0.230 462 M C -0.024 176.386 176.300 0.184 0.000 1.387 462 M CA 0.057 55.285 55.300 -0.120 0.000 1.570 462 M CB -0.494 31.863 32.600 -0.406 0.000 1.057 462 M HN 0.430 nan 8.290 nan 0.000 0.607 463 T N -3.390 111.319 114.554 0.259 0.000 2.841 463 T HA 0.374 4.727 4.350 0.005 0.000 0.296 463 T C 0.398 175.217 174.700 0.197 0.000 1.166 463 T CA -1.033 61.189 62.100 0.203 0.000 1.007 463 T CB 1.579 70.514 68.868 0.111 0.000 1.253 463 T HN 0.210 nan 8.240 nan 0.000 0.511 464 L N 1.041 122.329 121.223 0.109 0.000 1.990 464 L HA -0.040 4.303 4.340 0.005 0.000 0.213 464 L C 2.604 179.527 176.870 0.089 0.000 1.072 464 L CA 2.568 57.448 54.840 0.066 0.000 0.755 464 L CB -1.044 41.018 42.059 0.005 0.000 0.889 464 L HN 1.005 nan 8.230 nan 0.000 0.432 465 E N -1.091 119.155 120.200 0.076 0.000 2.070 465 E HA -0.231 4.122 4.350 0.005 0.000 0.197 465 E C 2.085 178.769 176.600 0.139 0.000 1.004 465 E CA 1.450 57.902 56.400 0.087 0.000 0.805 465 E CB -0.641 29.098 29.700 0.065 0.000 0.744 465 E HN 0.638 nan 8.360 nan 0.000 0.451 466 G N 0.436 109.327 108.800 0.152 0.000 2.446 466 G HA2 -0.297 3.666 3.960 0.005 0.000 0.217 466 G HA3 -0.297 3.666 3.960 0.005 0.000 0.217 466 G C 1.657 176.709 174.900 0.253 0.000 1.168 466 G CA 1.123 46.331 45.100 0.179 0.000 0.771 466 G HN 0.450 nan 8.290 nan 0.000 0.551 467 A N 0.472 123.458 122.820 0.277 0.000 1.902 467 A HA 0.107 4.430 4.320 0.005 0.000 0.217 467 A C 2.464 180.271 177.584 0.371 0.000 1.181 467 A CA 1.315 53.546 52.037 0.323 0.000 0.623 467 A CB -0.437 18.701 19.000 0.229 0.000 0.818 467 A HN 0.353 nan 8.150 nan 0.000 0.443 468 L N -0.689 120.708 121.223 0.291 0.000 2.046 468 L HA -0.225 4.118 4.340 0.005 0.000 0.208 468 L C 2.628 179.770 176.870 0.454 0.000 1.077 468 L CA 1.829 56.879 54.840 0.350 0.000 0.747 468 L CB -0.406 41.737 42.059 0.140 0.000 0.896 468 L HN 0.364 nan 8.230 nan 0.000 0.432 469 K N -0.949 119.647 120.400 0.326 0.000 2.057 469 K HA -0.239 4.084 4.320 0.005 0.000 0.207 469 K C 2.128 178.895 176.600 0.278 0.000 1.049 469 K CA 1.639 58.097 56.287 0.284 0.000 0.931 469 K CB -0.381 32.245 32.500 0.210 0.000 0.714 469 K HN 0.186 nan 8.250 nan 0.000 0.440 470 Y N 1.278 121.695 120.300 0.195 0.000 2.207 470 Y HA -0.158 4.394 4.550 0.003 0.000 0.287 470 Y C 1.818 177.827 175.900 0.183 0.000 1.156 470 Y CA 1.487 59.689 58.100 0.169 0.000 1.182 470 Y CB -0.073 38.491 38.460 0.173 0.000 0.979 470 Y HN -0.032 nan 8.280 nan 0.000 0.521 471 M N -0.701 119.053 119.600 0.257 0.000 2.659 471 M HA 0.103 4.586 4.480 0.005 0.000 0.243 471 M C 1.497 177.853 176.300 0.092 0.000 1.111 471 M CA 1.146 56.567 55.300 0.201 0.000 1.070 471 M CB -0.018 32.855 32.600 0.455 0.000 1.525 471 M HN 0.564 nan 8.290 nan 0.000 0.517 472 G N 0.217 109.063 108.800 0.077 0.000 2.176 472 G HA2 -0.229 3.734 3.960 0.005 0.000 0.232 472 G HA3 -0.229 3.734 3.960 0.005 0.000 0.232 472 G C -0.105 174.835 174.900 0.067 0.000 0.986 472 G CA -0.679 44.412 45.100 -0.016 0.000 0.643 472 G HN 0.340 nan 8.290 nan 0.000 0.522 473 F N 1.161 121.325 119.950 0.356 0.000 2.538 473 F HA 0.442 4.971 4.527 0.004 0.000 0.371 473 F C 1.715 177.648 175.800 0.223 0.000 1.087 473 F CA 0.735 58.948 58.000 0.355 0.000 1.250 473 F CB 1.002 40.144 39.000 0.237 0.000 1.110 473 F HN 0.119 nan 8.300 nan 0.000 0.570 474 Q N 0.856 120.883 119.800 0.378 0.000 2.316 474 Q HA 0.154 4.497 4.340 0.005 0.000 0.235 474 Q C -0.100 176.020 176.000 0.200 0.000 0.863 474 Q CA 0.110 56.049 55.803 0.225 0.000 0.939 474 Q CB 0.773 29.602 28.738 0.152 0.000 1.108 474 Q HN 0.704 nan 8.270 nan 0.000 0.522 475 S N -1.965 113.878 115.700 0.239 0.000 2.565 475 S HA 0.334 4.807 4.470 0.005 0.000 0.269 475 S C 0.494 175.179 174.600 0.141 0.000 1.153 475 S CA -0.759 57.538 58.200 0.162 0.000 0.835 475 S CB 0.363 63.646 63.200 0.138 0.000 1.122 475 S HN 0.124 nan 8.310 nan 0.000 0.462 476 I N 1.127 121.742 120.570 0.076 0.000 2.181 476 I HA -0.263 3.910 4.170 0.005 0.000 0.247 476 I C 2.382 178.516 176.117 0.028 0.000 1.081 476 I CA 1.909 63.224 61.300 0.025 0.000 1.340 476 I CB -0.465 37.543 38.000 0.013 0.000 1.036 476 I HN 0.735 nan 8.210 nan 0.000 0.417 477 E N 0.654 120.896 120.200 0.070 0.000 2.153 477 E HA -0.206 4.147 4.350 0.005 0.000 0.194 477 E C 2.016 178.677 176.600 0.102 0.000 0.988 477 E CA 1.057 57.503 56.400 0.078 0.000 0.811 477 E CB -0.128 29.633 29.700 0.102 0.000 0.746 477 E HN 0.528 nan 8.360 nan 0.000 0.466 478 E N -0.322 119.987 120.200 0.181 0.000 2.158 478 E HA 0.009 4.362 4.350 0.005 0.000 0.191 478 E C 0.284 176.990 176.600 0.178 0.000 0.982 478 E CA 0.192 56.765 56.400 0.288 0.000 0.823 478 E CB 0.059 30.100 29.700 0.568 0.000 0.766 478 E HN 0.264 nan 8.360 nan 0.000 0.468 479 M N 1.141 120.716 119.600 -0.042 0.000 2.238 479 M HA 0.134 4.617 4.480 0.005 0.000 0.347 479 M C 0.742 176.843 176.300 -0.331 0.000 1.173 479 M CA -0.254 54.782 55.300 -0.440 0.000 1.147 479 M CB 0.730 32.975 32.600 -0.592 0.000 1.547 479 M HN -0.029 nan 8.290 nan 0.000 0.455 480 G N 2.973 111.509 108.800 -0.439 0.000 2.432 480 G HA2 0.250 4.213 3.960 0.005 0.000 0.239 480 G HA3 0.250 4.213 3.960 0.005 0.000 0.239 480 G C -0.444 174.227 174.900 -0.383 0.000 1.291 480 G CA -0.427 44.411 45.100 -0.437 0.000 0.863 480 G HN 0.676 nan 8.290 nan 0.000 0.560 481 K N 0.472 120.672 120.400 -0.333 0.000 2.395 481 K HA 0.217 4.540 4.320 0.005 0.000 0.245 481 K C -0.662 175.733 176.600 -0.341 0.000 1.017 481 K CA -0.919 55.188 56.287 -0.300 0.000 0.852 481 K CB 2.046 34.433 32.500 -0.190 0.000 1.311 481 K HN 0.609 nan 8.250 nan 0.000 0.452 482 D N 0.795 120.962 120.400 -0.390 0.000 2.458 482 D HA -0.020 4.623 4.640 0.005 0.000 0.243 482 D C 0.749 176.940 176.300 -0.182 0.000 1.146 482 D CA 0.181 53.999 54.000 -0.304 0.000 0.877 482 D CB 1.378 41.747 40.800 -0.718 0.000 1.176 482 D HN 0.624 nan 8.370 nan 0.000 0.461 483 A N 4.283 127.035 122.820 -0.113 0.000 1.948 483 A HA -0.223 4.100 4.320 0.005 0.000 0.220 483 A C 1.347 178.733 177.584 -0.329 0.000 1.177 483 A CA 1.495 53.365 52.037 -0.278 0.000 0.636 483 A CB -0.464 18.288 19.000 -0.414 0.000 0.815 483 A HN 0.796 nan 8.150 nan 0.000 0.449 484 H N -0.692 118.397 119.070 0.033 0.000 2.505 484 H HA 0.207 4.767 4.556 0.005 0.000 0.286 484 H C -0.480 174.864 175.328 0.027 0.000 1.072 484 H CA -0.050 56.036 56.048 0.064 0.000 1.141 484 H CB 0.261 30.125 29.762 0.170 0.000 1.550 484 H HN 0.372 nan 8.280 nan 0.000 0.547 485 D N 0.386 120.798 120.400 0.020 0.000 2.737 485 D HA -0.267 4.376 4.640 0.005 0.000 0.233 485 D C -0.296 176.096 176.300 0.154 0.000 1.155 485 D CA 1.031 55.051 54.000 0.033 0.000 0.667 485 D CB -1.634 39.215 40.800 0.080 0.000 1.060 485 D HN 0.544 nan 8.370 nan 0.000 0.427 486 F N -3.426 116.579 119.950 0.092 0.000 2.914 486 F HA -0.362 4.167 4.527 0.004 0.000 0.304 486 F C 1.944 177.457 175.800 -0.479 0.000 0.712 486 F CA 0.738 58.537 58.000 -0.334 0.000 1.211 486 F CB -1.939 36.895 39.000 -0.277 0.000 1.515 486 F HN 0.325 nan 8.300 nan 0.000 0.350 487 A N 0.715 123.519 122.820 -0.026 0.000 2.125 487 A HA -0.156 4.167 4.320 0.005 0.000 0.219 487 A C 1.846 179.415 177.584 -0.025 0.000 1.156 487 A CA 1.276 53.307 52.037 -0.010 0.000 0.671 487 A CB -0.900 18.145 19.000 0.076 0.000 0.794 487 A HN 0.788 nan 8.150 nan 0.000 0.459 488 W N -1.245 120.066 121.300 0.019 0.000 2.465 488 W HA 0.032 4.694 4.660 0.005 0.000 0.268 488 W C 1.702 178.228 176.519 0.012 0.000 1.242 488 W CA 0.768 58.081 57.345 -0.053 0.000 1.248 488 W CB -1.016 28.378 29.460 -0.109 0.000 1.118 488 W HN 0.367 nan 8.180 nan 0.000 0.587 489 A N 1.858 124.453 122.820 -0.375 0.000 2.019 489 A HA -0.209 4.114 4.320 0.005 0.000 0.219 489 A C 1.621 179.166 177.584 -0.065 0.000 1.164 489 A CA 1.937 53.809 52.037 -0.276 0.000 0.644 489 A CB -0.859 17.849 19.000 -0.487 0.000 0.805 489 A HN 0.136 nan 8.150 nan 0.000 0.449 490 D N -0.008 120.360 120.400 -0.054 0.000 2.351 490 D HA -0.091 4.552 4.640 0.005 0.000 0.216 490 D C 1.508 177.819 176.300 0.020 0.000 0.968 490 D CA 0.993 54.985 54.000 -0.013 0.000 0.899 490 D CB -0.063 40.730 40.800 -0.012 0.000 0.907 490 D HN 0.536 nan 8.370 nan 0.000 0.514 491 K N -0.439 119.992 120.400 0.053 0.000 2.361 491 K HA 0.118 4.441 4.320 0.005 0.000 0.194 491 K C 0.515 177.161 176.600 0.076 0.000 1.032 491 K CA -0.029 56.293 56.287 0.059 0.000 1.048 491 K CB 0.666 33.203 32.500 0.062 0.000 0.842 491 K HN 0.099 nan 8.250 nan 0.000 0.526 492 C N 2.119 121.478 119.300 0.098 0.000 2.459 492 C HA 0.224 4.687 4.460 0.005 0.000 0.374 492 C C 0.778 175.807 174.990 0.064 0.000 1.241 492 C CA -1.068 58.014 59.018 0.106 0.000 2.352 492 C CB 0.542 28.380 27.740 0.162 0.000 2.490 492 C HN 0.316 nan 8.230 nan 0.000 0.583 493 K N 2.254 122.691 120.400 0.062 0.000 2.447 493 K HA 0.119 4.442 4.320 0.005 0.000 0.281 493 K C -2.164 174.456 176.600 0.033 0.000 1.031 493 K CA -0.511 55.802 56.287 0.043 0.000 1.019 493 K CB 0.121 32.647 32.500 0.044 0.000 0.918 493 K HN 0.397 nan 8.250 nan 0.000 0.476 494 P HA -0.012 nan 4.420 nan 0.000 0.269 494 P C -1.378 175.928 177.300 0.010 0.000 1.209 494 P CA -0.196 62.909 63.100 0.008 0.000 0.776 494 P CB 0.943 32.645 31.700 0.003 0.000 0.876 495 A N 4.399 127.221 122.820 0.003 0.000 2.350 495 A HA 0.320 4.643 4.320 0.005 0.000 0.293 495 A C 0.431 178.014 177.584 -0.002 0.000 1.231 495 A CA -0.350 51.689 52.037 0.003 0.000 0.883 495 A CB -0.636 18.363 19.000 -0.001 0.000 1.133 495 A HN 0.477 nan 8.150 nan 0.000 0.533 496 M N 2.377 121.978 119.600 0.001 0.000 2.242 496 M HA 0.301 4.784 4.480 0.005 0.000 0.344 496 M C -0.034 176.264 176.300 -0.004 0.000 1.140 496 M CA 0.247 55.547 55.300 -0.001 0.000 1.160 496 M CB 0.972 33.573 32.600 0.002 0.000 1.491 496 M HN 0.732 nan 8.290 nan 0.000 0.459 497 K N 0.828 121.225 120.400 -0.006 0.000 2.444 497 K HA 0.530 4.853 4.320 0.005 0.000 0.252 497 K C -1.195 175.401 176.600 -0.006 0.000 0.993 497 K CA -1.245 55.038 56.287 -0.007 0.000 0.847 497 K CB 0.866 33.360 32.500 -0.011 0.000 1.340 497 K HN 0.498 nan 8.250 nan 0.000 0.446 498 K N 0.253 120.649 120.400 -0.007 0.000 2.380 498 K HA 0.313 4.636 4.320 0.005 0.000 0.267 498 K C -0.489 176.108 176.600 -0.006 0.000 0.990 498 K CA -0.229 56.054 56.287 -0.006 0.000 0.946 498 K CB 0.615 33.112 32.500 -0.006 0.000 0.937 498 K HN 0.502 nan 8.250 nan 0.000 0.491 499 S N 0.000 115.697 115.700 -0.005 0.000 2.498 499 S HA 0.000 4.473 4.470 0.005 0.000 0.327 499 S CA 0.000 58.197 58.200 -0.005 0.000 1.107 499 S CB 0.000 63.198 63.200 -0.004 0.000 0.593 499 S HN 0.000 nan 8.310 nan 0.000 0.517