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 2jjn_1_A DATA FIRST_RESID 17 DATA SEQUENCE TIDEVPGMAD ETALLDWLGT MREKQPVWQD RYGVWHVFRH ADVQTVLRDT DATA SEQUENCE ATFSSDPTRV IEGASPTPGM IHEIDPPEHR ALRKVVSSAF TPRTISDLEP DATA SEQUENCE RIRDVTRSLL ADAGESFDLV DVLAFPLPVT IVAELLGLPP MDHEQFGDWS DATA SEQUENCE GALVDIQMDD PTDPALAERI ADVLNPLTAY LKARCAERRA DPGDDLISRL DATA SEQUENCE VLAEVDGRAL DDEEAANFST ALLLAGHITT TVLLGNIVRT LDEHPAHWDA DATA SEQUENCE AAEDPGRIPA IVEEVLRYRP PFPQMQRTTT KATEVAGVPI PADVMVNTWV DATA SEQUENCE LSANRDSDAH DDPDRFDPSR KSGGAAQLSF GHGVHFCLGA PLARLENRVA DATA SEQUENCE LEEIIARFGR LTVDRDDERL RHFEQIVLGT RHLPVLAGSS PRQSA 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 17 T HA 0.000 nan 4.350 nan 0.000 0.228 17 T C 0.000 174.723 174.700 0.039 0.000 1.109 17 T CA 0.000 62.123 62.100 0.039 0.000 1.349 17 T CB 0.000 68.912 68.868 0.073 0.000 0.612 18 I N 1.695 122.298 120.570 0.055 0.000 2.311 18 I HA 0.531 4.747 4.170 0.077 0.000 0.297 18 I C -0.495 175.731 176.117 0.181 0.000 1.131 18 I CA -0.236 61.099 61.300 0.058 0.000 1.289 18 I CB -0.139 37.867 38.000 0.009 0.000 1.446 18 I HN 0.603 nan 8.210 nan 0.000 0.524 19 D N 4.152 124.664 120.400 0.187 0.000 2.623 19 D HA 0.172 4.858 4.640 0.077 0.000 0.252 19 D C -0.199 176.262 176.300 0.269 0.000 1.294 19 D CA -0.289 53.890 54.000 0.298 0.000 0.824 19 D CB 0.284 41.124 40.800 0.067 0.000 1.070 19 D HN 0.821 nan 8.370 nan 0.000 0.487 20 E N -0.691 119.705 120.200 0.327 0.000 2.390 20 E HA 0.426 4.822 4.350 0.077 0.000 0.277 20 E C -0.177 176.510 176.600 0.146 0.000 0.939 20 E CA -1.465 55.150 56.400 0.359 0.000 0.769 20 E CB 2.055 31.889 29.700 0.224 0.000 1.251 20 E HN -0.059 nan 8.360 nan 0.000 0.450 21 V N -0.881 119.110 119.914 0.127 0.000 2.788 21 V HA 0.187 4.353 4.120 0.077 0.000 0.307 21 V C -2.200 173.627 176.094 -0.446 0.000 1.069 21 V CA -1.011 61.057 62.300 -0.386 0.000 1.173 21 V CB -0.699 31.173 31.823 0.082 0.000 0.925 21 V HN 0.608 nan 8.190 nan 0.000 0.492 22 P HA 0.317 nan 4.420 nan 0.000 0.270 22 P C 0.466 177.658 177.300 -0.180 0.000 1.223 22 P CA 0.465 63.285 63.100 -0.466 0.000 0.785 22 P CB 0.220 31.576 31.700 -0.573 0.000 0.923 23 G N 0.469 109.217 108.800 -0.087 0.000 2.667 23 G HA2 0.116 4.122 3.960 0.077 0.000 0.250 23 G HA3 0.116 4.122 3.960 0.077 0.000 0.250 23 G C 0.685 175.616 174.900 0.051 0.000 1.212 23 G CA -0.470 44.640 45.100 0.016 0.000 0.874 23 G HN 0.428 nan 8.290 nan 0.000 0.561 24 M N 0.947 120.620 119.600 0.122 0.000 2.419 24 M HA 0.068 4.593 4.480 0.077 0.000 0.264 24 M C 2.616 178.988 176.300 0.120 0.000 1.082 24 M CA 1.066 56.463 55.300 0.162 0.000 1.119 24 M CB 0.102 32.835 32.600 0.222 0.000 1.398 24 M HN 0.635 nan 8.290 nan 0.000 0.453 25 A N -0.612 122.249 122.820 0.068 0.000 1.930 25 A HA -0.130 4.236 4.320 0.077 0.000 0.217 25 A C 1.136 178.566 177.584 -0.257 0.000 1.175 25 A CA 1.190 53.210 52.037 -0.028 0.000 0.627 25 A CB -0.372 18.621 19.000 -0.013 0.000 0.815 25 A HN 0.365 nan 8.150 nan 0.000 0.443 26 D N -0.047 120.263 120.400 -0.149 0.000 2.494 26 D HA 0.121 4.807 4.640 0.077 0.000 0.217 26 D C 0.970 177.210 176.300 -0.099 0.000 1.153 26 D CA -0.127 53.777 54.000 -0.160 0.000 0.954 26 D CB 0.427 41.158 40.800 -0.114 0.000 1.034 26 D HN 0.544 nan 8.370 nan 0.000 0.518 27 E N 1.635 121.776 120.200 -0.098 0.000 2.072 27 E HA -0.162 4.234 4.350 0.077 0.000 0.191 27 E C 0.974 177.559 176.600 -0.026 0.000 0.985 27 E CA 1.054 57.444 56.400 -0.017 0.000 0.801 27 E CB 0.435 30.153 29.700 0.029 0.000 0.750 27 E HN 0.353 nan 8.360 nan 0.000 0.452 28 T N 0.643 115.174 114.554 -0.038 0.000 2.746 28 T HA -0.123 4.273 4.350 0.077 0.000 0.267 28 T C 1.855 176.536 174.700 -0.032 0.000 1.039 28 T CA 1.355 63.437 62.100 -0.030 0.000 1.142 28 T CB -0.277 68.575 68.868 -0.026 0.000 0.866 28 T HN 0.336 nan 8.240 nan 0.000 0.444 29 A N 1.138 123.931 122.820 -0.044 0.000 1.930 29 A HA 0.015 4.381 4.320 0.077 0.000 0.217 29 A C 2.231 179.794 177.584 -0.035 0.000 1.175 29 A CA 1.189 53.198 52.037 -0.046 0.000 0.627 29 A CB -0.736 18.221 19.000 -0.072 0.000 0.815 29 A HN 0.404 nan 8.150 nan 0.000 0.443 30 L N -0.143 121.055 121.223 -0.042 0.000 2.017 30 L HA -0.088 4.298 4.340 0.077 0.000 0.208 30 L C 2.283 179.158 176.870 0.008 0.000 1.073 30 L CA 1.716 56.538 54.840 -0.030 0.000 0.745 30 L CB -0.582 41.477 42.059 -0.001 0.000 0.894 30 L HN 0.394 nan 8.230 nan 0.000 0.432 31 L N -0.552 120.665 121.223 -0.008 0.000 2.042 31 L HA -0.231 4.155 4.340 0.077 0.000 0.210 31 L C 2.283 179.126 176.870 -0.044 0.000 1.076 31 L CA 1.394 56.218 54.840 -0.027 0.000 0.749 31 L CB -0.876 41.160 42.059 -0.038 0.000 0.893 31 L HN 0.299 nan 8.230 nan 0.000 0.432 32 D N -0.969 119.414 120.400 -0.028 0.000 2.117 32 D HA -0.226 4.460 4.640 0.077 0.000 0.197 32 D C 1.711 177.971 176.300 -0.066 0.000 0.987 32 D CA 1.058 55.032 54.000 -0.044 0.000 0.829 32 D CB -0.226 40.559 40.800 -0.026 0.000 0.961 32 D HN 0.392 nan 8.370 nan 0.000 0.460 33 W N 1.478 122.626 121.300 -0.253 0.000 2.355 33 W HA -0.111 4.587 4.660 0.063 0.000 0.309 33 W C 2.066 178.292 176.519 -0.488 0.000 1.206 33 W CA 1.142 58.273 57.345 -0.356 0.000 1.284 33 W CB -0.422 28.815 29.460 -0.371 0.000 1.145 33 W HN -0.093 nan 8.180 nan 0.000 0.502 34 L N 0.437 121.482 121.223 -0.296 0.000 2.042 34 L HA -0.168 4.218 4.340 0.077 0.000 0.210 34 L C 2.703 179.246 176.870 -0.545 0.000 1.076 34 L CA 1.536 56.009 54.840 -0.612 0.000 0.749 34 L CB -1.612 40.274 42.059 -0.289 0.000 0.893 34 L HN 0.249 nan 8.230 nan 0.000 0.432 35 G N -0.655 107.954 108.800 -0.319 0.000 2.446 35 G HA2 -0.267 3.739 3.960 0.077 0.000 0.217 35 G HA3 -0.267 3.739 3.960 0.077 0.000 0.217 35 G C 1.564 176.272 174.900 -0.319 0.000 1.168 35 G CA 1.415 46.370 45.100 -0.243 0.000 0.771 35 G HN 0.314 nan 8.290 nan 0.000 0.551 36 T N 1.384 115.696 114.554 -0.404 0.000 2.821 36 T HA -0.058 4.338 4.350 0.077 0.000 0.267 36 T C 2.503 176.873 174.700 -0.551 0.000 1.046 36 T CA 1.182 63.029 62.100 -0.421 0.000 1.139 36 T CB -0.135 68.484 68.868 -0.415 0.000 0.871 36 T HN 0.057 nan 8.240 nan 0.000 0.454 37 M N 0.888 119.958 119.600 -0.883 0.000 2.200 37 M HA 0.104 4.630 4.480 0.077 0.000 0.265 37 M C 2.287 178.279 176.300 -0.514 0.000 1.066 37 M CA 1.165 55.885 55.300 -0.967 0.000 1.127 37 M CB -0.977 30.452 32.600 -1.951 0.000 1.379 37 M HN 0.191 nan 8.290 nan 0.000 0.420 38 R N 0.154 120.402 120.500 -0.419 0.000 2.091 38 R HA -0.208 4.178 4.340 0.077 0.000 0.238 38 R C 2.163 178.404 176.300 -0.099 0.000 1.136 38 R CA 1.821 57.842 56.100 -0.131 0.000 0.959 38 R CB -0.343 29.908 30.300 -0.081 0.000 0.856 38 R HN 0.465 nan 8.270 nan 0.000 0.437 39 E N 0.763 120.871 120.200 -0.154 0.000 2.047 39 E HA -0.154 4.242 4.350 0.077 0.000 0.191 39 E C 1.351 177.893 176.600 -0.096 0.000 0.987 39 E CA 1.395 57.730 56.400 -0.109 0.000 0.799 39 E CB 0.288 29.918 29.700 -0.117 0.000 0.752 39 E HN 0.213 nan 8.360 nan 0.000 0.449 40 K N -1.329 118.983 120.400 -0.147 0.000 2.370 40 K HA 0.120 4.485 4.320 0.077 0.000 0.194 40 K C 0.336 176.887 176.600 -0.081 0.000 1.070 40 K CA 0.133 56.350 56.287 -0.116 0.000 0.998 40 K CB 0.870 33.279 32.500 -0.153 0.000 0.911 40 K HN -0.094 nan 8.250 nan 0.000 0.533 41 Q N 0.419 120.159 119.800 -0.099 0.000 3.966 41 Q HA 0.122 4.508 4.340 0.077 0.000 0.198 41 Q C -2.446 173.639 176.000 0.142 0.000 0.872 41 Q CA -1.143 54.668 55.803 0.014 0.000 0.767 41 Q CB 1.179 29.889 28.738 -0.047 0.000 1.516 41 Q HN -0.142 nan 8.270 nan 0.000 0.434 42 P HA -0.008 nan 4.420 nan 0.000 0.233 42 P C -0.256 177.267 177.300 0.373 0.000 1.167 42 P CA 0.465 63.745 63.100 0.301 0.000 0.770 42 P CB 0.561 32.363 31.700 0.170 0.000 0.837 43 V N 0.533 120.661 119.914 0.357 0.000 2.447 43 V HA 0.388 4.554 4.120 0.077 0.000 0.292 43 V C -1.307 175.110 176.094 0.538 0.000 1.021 43 V CA -0.556 61.974 62.300 0.383 0.000 0.850 43 V CB 1.997 34.013 31.823 0.320 0.000 1.005 43 V HN 0.056 nan 8.190 nan 0.000 0.426 44 W N 4.692 126.188 121.300 0.326 0.000 2.883 44 W HA 0.619 5.329 4.660 0.083 0.000 0.335 44 W C -0.674 175.851 176.519 0.010 0.000 1.083 44 W CA -0.585 56.889 57.345 0.215 0.000 1.233 44 W CB 1.816 31.496 29.460 0.366 0.000 1.412 44 W HN 0.565 nan 8.180 nan 0.000 0.490 45 Q N 4.912 124.073 119.800 -1.065 0.000 2.325 45 Q HA 0.234 4.620 4.340 0.077 0.000 0.262 45 Q C -0.185 174.924 176.000 -1.485 0.000 0.968 45 Q CA -0.582 54.310 55.803 -1.518 0.000 0.877 45 Q CB 1.252 28.888 28.738 -1.838 0.000 1.253 45 Q HN 0.595 nan 8.270 nan 0.000 0.448 46 D N 2.359 122.037 120.400 -1.203 0.000 2.478 46 D HA 0.021 4.707 4.640 0.077 0.000 0.269 46 D C 0.839 176.822 176.300 -0.529 0.000 1.232 46 D CA -0.378 53.025 54.000 -0.996 0.000 1.059 46 D CB 0.555 40.997 40.800 -0.596 0.000 1.104 46 D HN 0.717 nan 8.370 nan 0.000 0.566 47 R N -1.076 119.162 120.500 -0.437 0.000 2.280 47 R HA -0.077 4.309 4.340 0.077 0.000 0.207 47 R C 0.850 176.878 176.300 -0.453 0.000 1.043 47 R CA 0.940 56.777 56.100 -0.439 0.000 1.006 47 R CB -0.708 29.308 30.300 -0.474 0.000 0.885 47 R HN 0.493 nan 8.270 nan 0.000 0.467 48 Y N 0.463 120.707 120.300 -0.094 0.000 2.457 48 Y HA 0.324 4.919 4.550 0.075 0.000 0.263 48 Y C 1.416 177.272 175.900 -0.072 0.000 1.164 48 Y CA 0.114 58.181 58.100 -0.054 0.000 1.274 48 Y CB 0.854 39.305 38.460 -0.015 0.000 1.097 48 Y HN 0.342 nan 8.280 nan 0.000 0.523 49 G N 0.648 109.409 108.800 -0.066 0.000 2.147 49 G HA2 -0.264 3.742 3.960 0.077 0.000 0.244 49 G HA3 -0.264 3.742 3.960 0.077 0.000 0.244 49 G C -0.262 174.615 174.900 -0.039 0.000 1.005 49 G CA 0.168 45.215 45.100 -0.088 0.000 0.713 49 G HN 0.140 nan 8.290 nan 0.000 0.515 50 V N -0.118 119.756 119.914 -0.068 0.000 2.481 50 V HA 0.697 4.863 4.120 0.077 0.000 0.286 50 V C 0.326 176.309 176.094 -0.186 0.000 1.042 50 V CA -0.676 61.615 62.300 -0.015 0.000 0.928 50 V CB 1.081 32.919 31.823 0.025 0.000 0.986 50 V HN 0.298 nan 8.190 nan 0.000 0.462 51 W N 2.907 124.111 121.300 -0.160 0.000 2.516 51 W HA 0.611 5.316 4.660 0.076 0.000 0.343 51 W C 0.166 176.534 176.519 -0.251 0.000 1.094 51 W CA -0.292 56.995 57.345 -0.097 0.000 1.250 51 W CB 0.791 30.233 29.460 -0.030 0.000 1.308 51 W HN 0.483 nan 8.180 nan 0.000 0.588 52 H N 0.835 120.069 119.070 0.273 0.000 2.679 52 H HA 0.544 5.146 4.556 0.077 0.000 0.360 52 H C -1.258 173.930 175.328 -0.234 0.000 1.105 52 H CA -0.785 55.338 56.048 0.125 0.000 1.196 52 H CB 2.148 32.108 29.762 0.331 0.000 1.636 52 H HN 0.044 nan 8.280 nan 0.000 0.531 53 V N 4.318 124.117 119.914 -0.192 0.000 2.444 53 V HA 0.150 4.316 4.120 0.077 0.000 0.294 53 V C -0.206 175.749 176.094 -0.232 0.000 1.022 53 V CA -0.192 61.987 62.300 -0.203 0.000 0.850 53 V CB 1.194 32.970 31.823 -0.079 0.000 0.992 53 V HN 0.723 nan 8.190 nan 0.000 0.426 54 F N 1.990 122.060 119.950 0.199 0.000 2.653 54 F HA 0.373 4.947 4.527 0.079 0.000 0.288 54 F C 1.414 177.273 175.800 0.099 0.000 1.121 54 F CA -0.331 57.745 58.000 0.127 0.000 1.384 54 F CB 0.440 39.418 39.000 -0.038 0.000 1.115 54 F HN 0.282 nan 8.300 nan 0.000 0.599 55 R N 0.417 121.054 120.500 0.230 0.000 2.459 55 R HA 0.109 4.495 4.340 0.077 0.000 0.281 55 R C 1.268 177.661 176.300 0.155 0.000 1.050 55 R CA -0.366 55.839 56.100 0.175 0.000 1.055 55 R CB 0.611 30.988 30.300 0.129 0.000 1.045 55 R HN 0.156 nan 8.270 nan 0.000 0.495 56 H N 2.368 121.479 119.070 0.069 0.000 2.319 56 H HA -0.177 4.424 4.556 0.075 0.000 0.299 56 H C 1.462 176.789 175.328 -0.001 0.000 1.092 56 H CA 2.470 58.542 56.048 0.041 0.000 1.302 56 H CB 0.321 30.095 29.762 0.020 0.000 1.373 56 H HN 0.744 nan 8.280 nan 0.000 0.497 57 A N 0.842 123.734 122.820 0.121 0.000 1.933 57 A HA -0.164 4.202 4.320 0.077 0.000 0.218 57 A C 2.122 179.685 177.584 -0.035 0.000 1.175 57 A CA 1.782 53.840 52.037 0.036 0.000 0.628 57 A CB -0.270 18.774 19.000 0.074 0.000 0.814 57 A HN 0.481 nan 8.150 nan 0.000 0.444 58 D N -0.406 119.989 120.400 -0.009 0.000 2.149 58 D HA -0.056 4.630 4.640 0.077 0.000 0.201 58 D C 2.060 178.305 176.300 -0.093 0.000 0.972 58 D CA 1.142 55.124 54.000 -0.030 0.000 0.835 58 D CB -0.391 40.414 40.800 0.009 0.000 0.966 58 D HN 0.212 nan 8.370 nan 0.000 0.476 59 V N 1.229 121.088 119.914 -0.092 0.000 2.332 59 V HA -0.262 3.904 4.120 0.077 0.000 0.248 59 V C 2.486 178.487 176.094 -0.155 0.000 1.055 59 V CA 1.632 63.858 62.300 -0.122 0.000 1.038 59 V CB -0.470 31.304 31.823 -0.082 0.000 0.651 59 V HN 0.216 nan 8.190 nan 0.000 0.450 60 Q N -0.692 118.969 119.800 -0.231 0.000 2.124 60 Q HA -0.183 4.203 4.340 0.077 0.000 0.202 60 Q C 2.359 178.364 176.000 0.008 0.000 0.977 60 Q CA 1.988 57.654 55.803 -0.227 0.000 0.850 60 Q CB -0.377 28.091 28.738 -0.451 0.000 0.901 60 Q HN 0.625 nan 8.270 nan 0.000 0.429 61 T N 0.621 115.152 114.554 -0.037 0.000 2.684 61 T HA -0.139 4.257 4.350 0.077 0.000 0.267 61 T C 2.013 176.684 174.700 -0.048 0.000 1.036 61 T CA 1.384 63.487 62.100 0.004 0.000 1.148 61 T CB -0.236 68.630 68.868 -0.002 0.000 0.863 61 T HN 0.054 nan 8.240 nan 0.000 0.436 62 V N 1.412 121.168 119.914 -0.262 0.000 2.307 62 V HA -0.092 4.074 4.120 0.077 0.000 0.245 62 V C 2.480 178.413 176.094 -0.268 0.000 1.045 62 V CA 1.491 63.383 62.300 -0.680 0.000 1.024 62 V CB -0.641 30.667 31.823 -0.859 0.000 0.651 62 V HN 0.442 nan 8.190 nan 0.000 0.449 63 L N -0.458 120.711 121.223 -0.088 0.000 2.131 63 L HA -0.142 4.244 4.340 0.077 0.000 0.210 63 L C 2.705 179.625 176.870 0.084 0.000 1.092 63 L CA 1.424 56.289 54.840 0.042 0.000 0.759 63 L CB -0.623 41.515 42.059 0.131 0.000 0.903 63 L HN 0.254 nan 8.230 nan 0.000 0.435 64 R N 0.234 120.806 120.500 0.120 0.000 2.090 64 R HA -0.124 4.262 4.340 0.077 0.000 0.228 64 R C 0.422 176.766 176.300 0.072 0.000 1.110 64 R CA 0.933 57.057 56.100 0.040 0.000 0.973 64 R CB -0.019 30.339 30.300 0.097 0.000 0.869 64 R HN 0.155 nan 8.270 nan 0.000 0.440 65 D N 0.766 121.258 120.400 0.155 0.000 2.468 65 D HA -0.006 4.680 4.640 0.077 0.000 0.218 65 D C 0.775 177.192 176.300 0.196 0.000 1.155 65 D CA 0.037 54.148 54.000 0.184 0.000 0.924 65 D CB 1.315 42.280 40.800 0.275 0.000 1.029 65 D HN 0.230 nan 8.370 nan 0.000 0.515 66 T N 0.368 114.982 114.554 0.101 0.000 2.951 66 T HA -0.033 4.362 4.350 0.077 0.000 0.268 66 T C 1.850 176.571 174.700 0.035 0.000 1.073 66 T CA 0.753 62.900 62.100 0.080 0.000 1.134 66 T CB 0.011 68.904 68.868 0.043 0.000 0.884 66 T HN 0.218 nan 8.240 nan 0.000 0.479 67 A N 2.270 125.093 122.820 0.006 0.000 1.898 67 A HA -0.018 4.348 4.320 0.077 0.000 0.216 67 A C 2.712 180.232 177.584 -0.106 0.000 1.181 67 A CA 2.137 54.151 52.037 -0.039 0.000 0.620 67 A CB -1.288 17.689 19.000 -0.038 0.000 0.819 67 A HN 0.726 nan 8.150 nan 0.000 0.442 68 T N -3.559 110.895 114.554 -0.167 0.000 2.894 68 T HA 0.169 4.565 4.350 0.077 0.000 0.258 68 T C 0.361 174.705 174.700 -0.594 0.000 1.043 68 T CA 0.398 62.231 62.100 -0.446 0.000 1.141 68 T CB -0.323 68.130 68.868 -0.692 0.000 0.873 68 T HN 0.172 nan 8.240 nan 0.000 0.449 69 F N 2.601 122.523 119.950 -0.045 0.000 2.307 69 F HA 0.573 5.147 4.527 0.079 0.000 0.369 69 F C 0.649 176.417 175.800 -0.053 0.000 1.076 69 F CA -1.098 56.870 58.000 -0.054 0.000 1.149 69 F CB 1.105 40.075 39.000 -0.049 0.000 1.410 69 F HN 0.060 nan 8.300 nan 0.000 0.481 70 S N 1.052 116.782 115.700 0.050 0.000 2.576 70 S HA 0.120 4.636 4.470 0.077 0.000 0.276 70 S C 1.160 175.751 174.600 -0.016 0.000 1.339 70 S CA -0.414 57.791 58.200 0.009 0.000 1.039 70 S CB 0.982 64.167 63.200 -0.025 0.000 0.902 70 S HN 0.544 nan 8.310 nan 0.000 0.516 71 S N 1.931 117.594 115.700 -0.063 0.000 2.575 71 S HA 0.099 4.615 4.470 0.077 0.000 0.215 71 S C -0.021 174.492 174.600 -0.144 0.000 0.966 71 S CA -0.222 57.881 58.200 -0.161 0.000 0.911 71 S CB -0.163 62.820 63.200 -0.361 0.000 0.780 71 S HN 0.799 nan 8.310 nan 0.000 0.514 72 D N 2.625 122.971 120.400 -0.090 0.000 2.393 72 D HA 0.176 4.861 4.640 0.077 0.000 0.232 72 D C -1.625 174.629 176.300 -0.076 0.000 1.192 72 D CA -2.242 51.707 54.000 -0.085 0.000 0.882 72 D CB 1.336 42.103 40.800 -0.055 0.000 1.038 72 D HN 0.068 nan 8.370 nan 0.000 0.499 73 P HA -0.079 nan 4.420 nan 0.000 0.229 73 P C 1.171 178.440 177.300 -0.052 0.000 1.160 73 P CA 0.737 63.795 63.100 -0.069 0.000 0.777 73 P CB -0.055 31.597 31.700 -0.080 0.000 0.814 74 T N -2.596 111.927 114.554 -0.052 0.000 2.962 74 T HA -0.046 4.350 4.350 0.077 0.000 0.270 74 T C 1.886 176.568 174.700 -0.030 0.000 1.088 74 T CA 0.471 62.548 62.100 -0.039 0.000 1.127 74 T CB -0.686 68.160 68.868 -0.037 0.000 0.883 74 T HN 0.067 nan 8.240 nan 0.000 0.493 75 R N 0.971 121.452 120.500 -0.032 0.000 2.139 75 R HA -0.043 4.343 4.340 0.077 0.000 0.243 75 R C 2.214 178.502 176.300 -0.019 0.000 1.145 75 R CA 1.731 57.816 56.100 -0.026 0.000 0.976 75 R CB -0.574 29.707 30.300 -0.031 0.000 0.866 75 R HN 0.603 nan 8.270 nan 0.000 0.449 76 V N -2.312 117.592 119.914 -0.017 0.000 3.427 76 V HA 0.340 4.506 4.120 0.077 0.000 0.305 76 V C 0.408 176.498 176.094 -0.007 0.000 1.412 76 V CA -0.173 62.123 62.300 -0.007 0.000 1.086 76 V CB 0.053 31.876 31.823 0.002 0.000 0.964 76 V HN -0.005 nan 8.190 nan 0.000 0.439 77 I N 1.917 122.479 120.570 -0.014 0.000 2.354 77 I HA 0.448 4.664 4.170 0.077 0.000 0.286 77 I C 0.094 176.205 176.117 -0.010 0.000 1.007 77 I CA -0.621 60.670 61.300 -0.014 0.000 1.167 77 I CB 1.607 39.595 38.000 -0.021 0.000 1.320 77 I HN 0.086 nan 8.210 nan 0.000 0.458 78 E N 5.284 125.481 120.200 -0.005 0.000 2.493 78 E HA 0.184 4.580 4.350 0.077 0.000 0.255 78 E C 1.152 177.749 176.600 -0.004 0.000 0.999 78 E CA 1.242 57.640 56.400 -0.003 0.000 0.934 78 E CB 0.308 30.008 29.700 0.001 0.000 0.940 78 E HN 0.792 nan 8.360 nan 0.000 0.473 79 G N 2.625 111.423 108.800 -0.004 0.000 2.234 79 G HA2 -0.276 3.730 3.960 0.077 0.000 0.260 79 G HA3 -0.276 3.730 3.960 0.077 0.000 0.260 79 G C 0.421 175.318 174.900 -0.006 0.000 0.987 79 G CA 0.240 45.337 45.100 -0.004 0.000 0.625 79 G HN 1.014 nan 8.290 nan 0.000 0.532 80 A N 0.029 122.844 122.820 -0.009 0.000 2.340 80 A HA 0.840 5.206 4.320 0.077 0.000 0.268 80 A C 0.641 178.216 177.584 -0.015 0.000 1.100 80 A CA 0.972 53.002 52.037 -0.012 0.000 0.803 80 A CB 0.835 19.824 19.000 -0.017 0.000 1.043 80 A HN 1.967 nan 8.150 nan 0.000 0.488 81 S N 1.129 116.820 115.700 -0.015 0.000 2.632 81 S HA 0.805 5.321 4.470 0.077 0.000 0.289 81 S C -3.137 171.451 174.600 -0.022 0.000 1.115 81 S CA -1.446 56.744 58.200 -0.016 0.000 0.889 81 S CB 1.022 64.216 63.200 -0.011 0.000 1.116 81 S HN 0.461 nan 8.310 nan 0.000 0.486 82 P HA 0.273 nan 4.420 nan 0.000 0.269 82 P C -0.752 176.534 177.300 -0.022 0.000 1.209 82 P CA -0.066 63.016 63.100 -0.030 0.000 0.776 82 P CB 0.173 31.859 31.700 -0.024 0.000 0.876 83 T N 4.317 118.854 114.554 -0.028 0.000 2.753 83 T HA 0.332 4.728 4.350 0.077 0.000 0.297 83 T C -2.332 172.368 174.700 -0.000 0.000 0.981 83 T CA -1.430 60.663 62.100 -0.012 0.000 0.956 83 T CB 0.298 69.159 68.868 -0.012 0.000 0.936 83 T HN 0.232 nan 8.240 nan 0.000 0.463 84 P HA 0.193 nan 4.420 nan 0.000 0.262 84 P C 1.141 178.463 177.300 0.037 0.000 1.182 84 P CA 0.978 64.087 63.100 0.016 0.000 0.761 84 P CB 0.320 32.028 31.700 0.013 0.000 0.795 85 G N 2.721 111.550 108.800 0.048 0.000 2.241 85 G HA2 -0.241 3.765 3.960 0.077 0.000 0.244 85 G HA3 -0.241 3.765 3.960 0.077 0.000 0.244 85 G C 0.311 175.310 174.900 0.165 0.000 0.998 85 G CA -0.394 44.764 45.100 0.097 0.000 0.621 85 G HN 0.455 nan 8.290 nan 0.000 0.519 86 M N 1.449 121.111 119.600 0.103 0.000 3.042 86 M HA 0.365 4.891 4.480 0.077 0.000 0.283 86 M C 1.740 178.101 176.300 0.102 0.000 1.473 86 M CA -0.447 54.916 55.300 0.105 0.000 1.583 86 M CB -0.452 32.124 32.600 -0.039 0.000 1.221 86 M HN 0.406 nan 8.290 nan 0.000 0.518 87 I N 3.068 123.813 120.570 0.292 0.000 2.335 87 I HA -0.312 3.904 4.170 0.077 0.000 0.251 87 I C 2.343 178.696 176.117 0.394 0.000 1.129 87 I CA 1.477 62.974 61.300 0.328 0.000 1.402 87 I CB -0.067 38.153 38.000 0.366 0.000 1.069 87 I HN 0.653 nan 8.210 nan 0.000 0.424 88 H N -0.015 119.158 119.070 0.171 0.000 2.555 88 H HA 0.045 4.647 4.556 0.077 0.000 0.269 88 H C 0.820 176.075 175.328 -0.122 0.000 0.988 88 H CA 0.554 56.616 56.048 0.023 0.000 1.178 88 H CB -0.450 29.270 29.762 -0.070 0.000 1.373 88 H HN 0.531 nan 8.280 nan 0.000 0.588 89 E N 0.598 120.556 120.200 -0.403 0.000 2.603 89 E HA 0.334 4.730 4.350 0.077 0.000 0.211 89 E C -0.261 176.270 176.600 -0.115 0.000 0.995 89 E CA -0.155 56.045 56.400 -0.332 0.000 0.990 89 E CB 0.920 30.368 29.700 -0.420 0.000 1.036 89 E HN 0.359 nan 8.360 nan 0.000 0.475 90 I N 1.217 121.809 120.570 0.036 0.000 2.474 90 I HA 0.246 4.462 4.170 0.077 0.000 0.294 90 I C -0.286 175.940 176.117 0.182 0.000 1.005 90 I CA -0.908 60.457 61.300 0.108 0.000 1.113 90 I CB 1.750 39.834 38.000 0.140 0.000 1.289 90 I HN -0.162 nan 8.210 nan 0.000 0.436 91 D N 6.233 126.700 120.400 0.112 0.000 2.326 91 D HA 0.398 5.084 4.640 0.077 0.000 0.251 91 D C -2.451 173.914 176.300 0.109 0.000 1.023 91 D CA -1.473 52.586 54.000 0.098 0.000 0.966 91 D CB 1.176 42.003 40.800 0.044 0.000 1.156 91 D HN 0.113 nan 8.370 nan 0.000 0.494 92 P HA 0.098 nan 4.420 nan 0.000 0.269 92 P C -1.762 175.559 177.300 0.035 0.000 1.215 92 P CA -0.757 62.383 63.100 0.066 0.000 0.780 92 P CB 0.172 31.895 31.700 0.038 0.000 0.898 93 P HA -0.064 nan 4.420 nan 0.000 0.235 93 P C 1.111 178.421 177.300 0.017 0.000 1.177 93 P CA 0.890 64.000 63.100 0.017 0.000 0.785 93 P CB 0.024 31.725 31.700 0.001 0.000 0.885 94 E N 0.453 120.668 120.200 0.025 0.000 2.085 94 E HA -0.276 4.120 4.350 0.077 0.000 0.194 94 E C 1.980 178.588 176.600 0.013 0.000 0.994 94 E CA 1.127 57.535 56.400 0.013 0.000 0.801 94 E CB -1.589 28.122 29.700 0.019 0.000 0.743 94 E HN 0.410 nan 8.360 nan 0.000 0.453 95 H N 1.993 121.047 119.070 -0.026 0.000 2.387 95 H HA -0.086 4.516 4.556 0.077 0.000 0.299 95 H C 2.321 177.605 175.328 -0.073 0.000 1.099 95 H CA 2.009 58.031 56.048 -0.042 0.000 1.315 95 H CB 0.009 29.731 29.762 -0.067 0.000 1.380 95 H HN 0.162 nan 8.280 nan 0.000 0.513 96 R N 0.314 120.758 120.500 -0.093 0.000 2.075 96 R HA -0.076 4.310 4.340 0.077 0.000 0.232 96 R C 2.505 178.706 176.300 -0.165 0.000 1.126 96 R CA 1.169 57.189 56.100 -0.133 0.000 0.963 96 R CB -0.257 30.023 30.300 -0.033 0.000 0.858 96 R HN 0.325 nan 8.270 nan 0.000 0.435 97 A N 1.219 123.968 122.820 -0.118 0.000 1.877 97 A HA -0.125 4.241 4.320 0.077 0.000 0.216 97 A C 2.217 179.711 177.584 -0.149 0.000 1.186 97 A CA 1.111 53.084 52.037 -0.107 0.000 0.620 97 A CB -0.555 18.401 19.000 -0.073 0.000 0.822 97 A HN 0.348 nan 8.150 nan 0.000 0.443 98 L N -1.354 119.761 121.223 -0.181 0.000 2.056 98 L HA -0.162 4.224 4.340 0.077 0.000 0.207 98 L C 2.811 179.506 176.870 -0.292 0.000 1.078 98 L CA 1.745 56.457 54.840 -0.212 0.000 0.749 98 L CB -0.360 41.598 42.059 -0.169 0.000 0.901 98 L HN 0.451 nan 8.230 nan 0.000 0.433 99 R N 0.538 120.812 120.500 -0.377 0.000 2.096 99 R HA -0.169 4.217 4.340 0.077 0.000 0.235 99 R C 2.212 178.382 176.300 -0.216 0.000 1.127 99 R CA 1.423 57.317 56.100 -0.343 0.000 0.968 99 R CB -0.033 29.992 30.300 -0.457 0.000 0.861 99 R HN 0.188 nan 8.270 nan 0.000 0.440 100 K N -0.547 119.745 120.400 -0.181 0.000 2.057 100 K HA -0.096 4.270 4.320 0.077 0.000 0.207 100 K C 1.955 178.483 176.600 -0.120 0.000 1.049 100 K CA 1.638 57.853 56.287 -0.120 0.000 0.931 100 K CB -0.109 32.332 32.500 -0.097 0.000 0.714 100 K HN 0.014 nan 8.250 nan 0.000 0.440 101 V N 0.979 120.803 119.914 -0.149 0.000 2.261 101 V HA -0.236 3.930 4.120 0.077 0.000 0.246 101 V C 2.255 178.242 176.094 -0.178 0.000 1.047 101 V CA 1.654 63.867 62.300 -0.145 0.000 1.015 101 V CB -0.347 31.383 31.823 -0.155 0.000 0.642 101 V HN 0.090 nan 8.190 nan 0.000 0.446 102 V N 1.047 120.784 119.914 -0.296 0.000 2.515 102 V HA -0.209 3.957 4.120 0.077 0.000 0.250 102 V C 2.682 178.701 176.094 -0.125 0.000 1.058 102 V CA 2.047 64.116 62.300 -0.385 0.000 1.064 102 V CB -0.901 30.320 31.823 -1.002 0.000 0.675 102 V HN 0.765 nan 8.190 nan 0.000 0.461 103 S N 1.360 117.014 115.700 -0.077 0.000 2.399 103 S HA -0.204 4.312 4.470 0.077 0.000 0.231 103 S C 2.100 176.720 174.600 0.033 0.000 1.022 103 S CA 1.557 59.778 58.200 0.035 0.000 0.983 103 S CB -0.727 62.478 63.200 0.008 0.000 0.803 103 S HN 0.742 nan 8.310 nan 0.000 0.480 104 S N 1.732 117.423 115.700 -0.014 0.000 2.474 104 S HA 0.259 4.775 4.470 0.077 0.000 0.235 104 S C 1.802 176.405 174.600 0.005 0.000 0.997 104 S CA 0.529 58.722 58.200 -0.012 0.000 0.949 104 S CB -0.511 62.670 63.200 -0.031 0.000 0.766 104 S HN 0.781 nan 8.310 nan 0.000 0.517 105 A N 0.824 123.660 122.820 0.027 0.000 1.901 105 A HA 0.420 4.786 4.320 0.077 0.000 0.210 105 A C 0.878 178.532 177.584 0.118 0.000 1.208 105 A CA 0.014 52.088 52.037 0.061 0.000 0.644 105 A CB -0.602 18.438 19.000 0.067 0.000 0.863 105 A HN 0.554 nan 8.150 nan 0.000 0.454 106 F N 3.390 123.352 119.950 0.021 0.000 2.605 106 F HA 0.327 4.900 4.527 0.076 0.000 0.352 106 F C 0.859 176.674 175.800 0.026 0.000 1.236 106 F CA -0.121 57.910 58.000 0.051 0.000 1.267 106 F CB -0.177 38.892 39.000 0.115 0.000 1.632 106 F HN 0.188 nan 8.300 nan 0.000 0.639 107 T N 1.999 116.460 114.554 -0.154 0.000 2.902 107 T HA 0.370 4.766 4.350 0.077 0.000 0.280 107 T C -1.707 172.866 174.700 -0.211 0.000 0.992 107 T CA -1.917 60.109 62.100 -0.123 0.000 1.015 107 T CB 1.497 70.321 68.868 -0.074 0.000 1.044 107 T HN 0.134 nan 8.240 nan 0.000 0.520 108 P HA -0.118 nan 4.420 nan 0.000 0.216 108 P C 1.593 178.821 177.300 -0.121 0.000 1.150 108 P CA 0.936 63.971 63.100 -0.110 0.000 0.843 108 P CB 0.072 31.738 31.700 -0.055 0.000 0.787 109 R N -0.857 119.581 120.500 -0.103 0.000 2.119 109 R HA -0.008 4.378 4.340 0.077 0.000 0.222 109 R C 1.956 178.193 176.300 -0.105 0.000 1.088 109 R CA 1.786 57.836 56.100 -0.084 0.000 0.984 109 R CB -1.609 28.655 30.300 -0.059 0.000 0.884 109 R HN 0.021 nan 8.270 nan 0.000 0.447 110 T N 0.795 115.259 114.554 -0.150 0.000 2.720 110 T HA -0.113 4.283 4.350 0.077 0.000 0.268 110 T C 1.698 176.277 174.700 -0.202 0.000 1.037 110 T CA 1.852 63.845 62.100 -0.178 0.000 1.144 110 T CB -0.160 68.559 68.868 -0.249 0.000 0.864 110 T HN 0.179 nan 8.240 nan 0.000 0.444 111 I N 1.328 121.741 120.570 -0.262 0.000 2.235 111 I HA -0.132 4.084 4.170 0.077 0.000 0.241 111 I C 2.828 178.884 176.117 -0.102 0.000 1.085 111 I CA 1.243 62.417 61.300 -0.209 0.000 1.378 111 I CB -0.405 37.457 38.000 -0.231 0.000 1.076 111 I HN 0.297 nan 8.210 nan 0.000 0.415 112 S N 0.230 115.879 115.700 -0.085 0.000 2.399 112 S HA -0.211 4.305 4.470 0.077 0.000 0.231 112 S C 1.569 176.148 174.600 -0.036 0.000 1.022 112 S CA 1.385 59.557 58.200 -0.047 0.000 0.983 112 S CB -0.545 62.632 63.200 -0.039 0.000 0.803 112 S HN 0.337 nan 8.310 nan 0.000 0.480 113 D N 1.658 122.031 120.400 -0.045 0.000 2.309 113 D HA 0.041 4.727 4.640 0.077 0.000 0.212 113 D C 1.580 177.866 176.300 -0.023 0.000 0.968 113 D CA 0.553 54.534 54.000 -0.032 0.000 0.882 113 D CB -0.351 40.428 40.800 -0.036 0.000 0.918 113 D HN 0.443 nan 8.370 nan 0.000 0.503 114 L N 0.331 121.538 121.223 -0.027 0.000 2.478 114 L HA -0.041 4.345 4.340 0.077 0.000 0.223 114 L C 2.249 179.118 176.870 -0.001 0.000 1.140 114 L CA 0.379 55.211 54.840 -0.013 0.000 0.842 114 L CB -0.185 41.866 42.059 -0.013 0.000 0.953 114 L HN 0.017 nan 8.230 nan 0.000 0.452 115 E N 1.187 121.386 120.200 -0.001 0.000 2.049 115 E HA -0.237 4.159 4.350 0.077 0.000 0.198 115 E C -0.556 176.050 176.600 0.011 0.000 1.007 115 E CA 1.715 58.120 56.400 0.008 0.000 0.809 115 E CB -0.590 29.115 29.700 0.008 0.000 0.749 115 E HN 0.274 nan 8.360 nan 0.000 0.450 116 P HA -0.177 nan 4.420 nan 0.000 0.215 116 P C 1.108 178.414 177.300 0.010 0.000 1.153 116 P CA 1.610 64.715 63.100 0.008 0.000 0.853 116 P CB -0.094 31.608 31.700 0.005 0.000 0.788 117 R N 0.123 120.629 120.500 0.010 0.000 2.092 117 R HA -0.046 4.340 4.340 0.077 0.000 0.231 117 R C 2.162 178.472 176.300 0.018 0.000 1.119 117 R CA 1.381 57.489 56.100 0.012 0.000 0.970 117 R CB -1.552 28.754 30.300 0.011 0.000 0.864 117 R HN 0.128 nan 8.270 nan 0.000 0.440 118 I N 0.027 120.609 120.570 0.020 0.000 2.163 118 I HA -0.290 3.926 4.170 0.077 0.000 0.243 118 I C 2.669 178.805 176.117 0.031 0.000 1.085 118 I CA 1.650 62.967 61.300 0.028 0.000 1.347 118 I CB -0.334 37.685 38.000 0.031 0.000 1.044 118 I HN 0.228 nan 8.210 nan 0.000 0.408 119 R N 0.765 121.281 120.500 0.027 0.000 2.081 119 R HA -0.231 4.155 4.340 0.077 0.000 0.235 119 R C 2.017 178.329 176.300 0.020 0.000 1.131 119 R CA 2.196 58.312 56.100 0.027 0.000 0.960 119 R CB -0.242 30.072 30.300 0.022 0.000 0.856 119 R HN 0.314 nan 8.270 nan 0.000 0.436 120 D N -0.536 119.873 120.400 0.016 0.000 2.092 120 D HA -0.146 4.540 4.640 0.077 0.000 0.193 120 D C 1.825 178.133 176.300 0.013 0.000 0.994 120 D CA 1.573 55.580 54.000 0.011 0.000 0.828 120 D CB 0.031 40.837 40.800 0.010 0.000 0.963 120 D HN 0.063 nan 8.370 nan 0.000 0.450 121 V N 0.041 119.967 119.914 0.019 0.000 2.287 121 V HA -0.258 3.908 4.120 0.077 0.000 0.248 121 V C 2.569 178.680 176.094 0.029 0.000 1.053 121 V CA 2.172 64.486 62.300 0.024 0.000 1.027 121 V CB -0.905 30.935 31.823 0.028 0.000 0.646 121 V HN 0.335 nan 8.190 nan 0.000 0.447 122 T N -0.617 113.959 114.554 0.036 0.000 2.708 122 T HA -0.242 4.154 4.350 0.077 0.000 0.266 122 T C 2.068 176.786 174.700 0.030 0.000 1.037 122 T CA 1.891 64.020 62.100 0.049 0.000 1.146 122 T CB -0.256 68.649 68.868 0.062 0.000 0.865 122 T HN 0.376 nan 8.240 nan 0.000 0.435 123 R N 0.616 121.124 120.500 0.013 0.000 2.081 123 R HA -0.045 4.341 4.340 0.077 0.000 0.235 123 R C 2.625 178.910 176.300 -0.026 0.000 1.131 123 R CA 1.476 57.568 56.100 -0.014 0.000 0.960 123 R CB -0.226 30.065 30.300 -0.016 0.000 0.856 123 R HN 0.215 nan 8.270 nan 0.000 0.436 124 S N 0.636 116.328 115.700 -0.013 0.000 2.383 124 S HA -0.044 4.472 4.470 0.077 0.000 0.227 124 S C 1.807 176.393 174.600 -0.023 0.000 1.026 124 S CA 0.896 59.085 58.200 -0.018 0.000 0.981 124 S CB -0.080 63.116 63.200 -0.007 0.000 0.818 124 S HN 0.265 nan 8.310 nan 0.000 0.472 125 L N 0.942 122.159 121.223 -0.009 0.000 2.056 125 L HA -0.053 4.333 4.340 0.077 0.000 0.207 125 L C 2.178 179.013 176.870 -0.058 0.000 1.078 125 L CA 1.056 55.887 54.840 -0.015 0.000 0.749 125 L CB -0.517 41.554 42.059 0.020 0.000 0.901 125 L HN 0.286 nan 8.230 nan 0.000 0.433 126 L N -0.443 120.754 121.223 -0.044 0.000 2.141 126 L HA -0.126 4.260 4.340 0.077 0.000 0.209 126 L C 2.774 179.575 176.870 -0.116 0.000 1.094 126 L CA 0.827 55.625 54.840 -0.069 0.000 0.763 126 L CB -0.632 41.435 42.059 0.013 0.000 0.908 126 L HN 0.226 nan 8.230 nan 0.000 0.437 127 A N -0.657 122.101 122.820 -0.104 0.000 2.070 127 A HA -0.182 4.184 4.320 0.077 0.000 0.220 127 A C 1.554 179.092 177.584 -0.077 0.000 1.159 127 A CA 1.592 53.567 52.037 -0.103 0.000 0.656 127 A CB -0.265 18.687 19.000 -0.080 0.000 0.800 127 A HN 0.338 nan 8.150 nan 0.000 0.453 128 D N -1.061 119.291 120.400 -0.080 0.000 2.369 128 D HA 0.322 5.008 4.640 0.077 0.000 0.211 128 D C 1.449 177.693 176.300 -0.093 0.000 1.077 128 D CA 0.786 54.746 54.000 -0.066 0.000 0.842 128 D CB 0.388 41.159 40.800 -0.049 0.000 0.947 128 D HN 0.405 nan 8.370 nan 0.000 0.509 129 A N 0.326 123.040 122.820 -0.178 0.000 2.238 129 A HA 0.500 4.866 4.320 0.077 0.000 0.210 129 A C 1.398 178.895 177.584 -0.145 0.000 1.179 129 A CA 0.755 52.598 52.037 -0.325 0.000 0.827 129 A CB -0.132 18.313 19.000 -0.924 0.000 0.856 129 A HN 0.240 nan 8.150 nan 0.000 0.488 130 G N -0.426 108.377 108.800 0.005 0.000 2.645 130 G HA2 -0.272 3.734 3.960 0.077 0.000 0.246 130 G HA3 -0.272 3.734 3.960 0.077 0.000 0.246 130 G C 0.199 175.284 174.900 0.307 0.000 1.322 130 G CA 0.407 45.589 45.100 0.137 0.000 0.898 130 G HN 0.323 nan 8.290 nan 0.000 0.573 131 E N -0.278 120.077 120.200 0.259 0.000 2.476 131 E HA 0.393 4.789 4.350 0.077 0.000 0.199 131 E C 0.474 177.137 176.600 0.105 0.000 1.021 131 E CA 0.757 57.285 56.400 0.214 0.000 0.907 131 E CB 0.641 30.412 29.700 0.119 0.000 0.974 131 E HN 0.383 nan 8.360 nan 0.000 0.489 132 S N 0.511 116.309 115.700 0.162 0.000 2.707 132 S HA 0.601 5.117 4.470 0.077 0.000 0.303 132 S C -1.080 173.611 174.600 0.151 0.000 1.132 132 S CA -0.845 57.364 58.200 0.014 0.000 1.046 132 S CB 0.431 63.629 63.200 -0.003 0.000 1.004 132 S HN 0.261 nan 8.310 nan 0.000 0.483 133 F N -0.283 119.632 119.950 -0.059 0.000 2.773 133 F HA 0.619 5.194 4.527 0.080 0.000 0.314 133 F C -1.425 174.360 175.800 -0.025 0.000 1.160 133 F CA -1.279 56.703 58.000 -0.030 0.000 0.920 133 F CB 0.603 39.600 39.000 -0.006 0.000 1.323 133 F HN 0.324 nan 8.300 nan 0.000 0.457 134 D N 1.818 122.350 120.400 0.220 0.000 2.316 134 D HA 0.204 4.890 4.640 0.077 0.000 0.245 134 D C 0.679 177.154 176.300 0.291 0.000 1.171 134 D CA -0.257 53.825 54.000 0.137 0.000 0.856 134 D CB 1.536 42.419 40.800 0.138 0.000 1.090 134 D HN 0.736 nan 8.370 nan 0.000 0.476 135 L N 4.741 126.054 121.223 0.149 0.000 2.127 135 L HA -0.139 4.247 4.340 0.077 0.000 0.211 135 L C 1.664 178.698 176.870 0.274 0.000 1.089 135 L CA 1.522 56.529 54.840 0.277 0.000 0.757 135 L CB -0.129 42.009 42.059 0.133 0.000 0.899 135 L HN 0.454 nan 8.230 nan 0.000 0.434 136 V N -0.596 119.452 119.914 0.223 0.000 2.255 136 V HA -0.234 3.932 4.120 0.077 0.000 0.243 136 V C 2.220 178.476 176.094 0.271 0.000 1.038 136 V CA 1.873 64.314 62.300 0.236 0.000 1.008 136 V CB -0.750 31.157 31.823 0.139 0.000 0.645 136 V HN 0.376 nan 8.190 nan 0.000 0.449 137 D N 0.039 120.582 120.400 0.238 0.000 2.149 137 D HA -0.135 4.551 4.640 0.077 0.000 0.198 137 D C 2.057 178.472 176.300 0.192 0.000 0.990 137 D CA 1.194 55.302 54.000 0.180 0.000 0.839 137 D CB -0.213 40.666 40.800 0.132 0.000 0.948 137 D HN 0.310 nan 8.370 nan 0.000 0.460 138 V N -0.148 119.898 119.914 0.220 0.000 2.446 138 V HA -0.074 4.092 4.120 0.077 0.000 0.244 138 V C 1.884 178.072 176.094 0.156 0.000 1.039 138 V CA 1.092 63.485 62.300 0.154 0.000 1.045 138 V CB 0.162 32.051 31.823 0.109 0.000 0.681 138 V HN 0.117 nan 8.190 nan 0.000 0.459 139 L N -1.247 120.107 121.223 0.218 0.000 2.658 139 L HA 0.524 4.910 4.340 0.077 0.000 0.201 139 L C 2.063 179.064 176.870 0.217 0.000 1.050 139 L CA 1.602 56.560 54.840 0.197 0.000 0.893 139 L CB -0.495 41.690 42.059 0.211 0.000 1.503 139 L HN 0.051 nan 8.230 nan 0.000 0.485 140 A N -0.698 122.273 122.820 0.251 0.000 1.968 140 A HA -0.112 4.254 4.320 0.077 0.000 0.217 140 A C 2.117 179.876 177.584 0.292 0.000 1.169 140 A CA 1.759 53.940 52.037 0.240 0.000 0.638 140 A CB -0.862 18.278 19.000 0.233 0.000 0.812 140 A HN 0.518 nan 8.150 nan 0.000 0.446 141 F N 1.303 121.380 119.950 0.211 0.000 2.094 141 F HA 0.036 4.607 4.527 0.074 0.000 0.291 141 F C -0.693 175.204 175.800 0.161 0.000 1.109 141 F CA 1.508 59.670 58.000 0.269 0.000 1.221 141 F CB -0.463 38.674 39.000 0.229 0.000 1.014 141 F HN 0.136 nan 8.300 nan 0.000 0.473 142 P HA -0.156 nan 4.420 nan 0.000 0.217 142 P C 1.982 179.299 177.300 0.027 0.000 1.150 142 P CA 1.193 64.384 63.100 0.152 0.000 0.832 142 P CB -0.243 31.570 31.700 0.187 0.000 0.787 143 L N 1.421 122.681 121.223 0.061 0.000 1.970 143 L HA -0.071 4.315 4.340 0.077 0.000 0.212 143 L C -0.856 176.013 176.870 -0.002 0.000 1.071 143 L CA 3.025 57.890 54.840 0.042 0.000 0.751 143 L CB -2.405 39.698 42.059 0.073 0.000 0.889 143 L HN 0.002 nan 8.230 nan 0.000 0.432 144 P HA -0.118 nan 4.420 nan 0.000 0.218 144 P C 2.031 179.267 177.300 -0.107 0.000 1.149 144 P CA 2.069 65.148 63.100 -0.034 0.000 0.817 144 P CB -0.505 31.198 31.700 0.005 0.000 0.785 145 V N -2.273 117.493 119.914 -0.246 0.000 2.287 145 V HA -0.235 3.931 4.120 0.077 0.000 0.248 145 V C 2.054 178.084 176.094 -0.107 0.000 1.053 145 V CA 2.791 64.924 62.300 -0.278 0.000 1.027 145 V CB -2.420 29.164 31.823 -0.397 0.000 0.646 145 V HN 0.040 nan 8.190 nan 0.000 0.447 146 T N 1.153 115.670 114.554 -0.061 0.000 2.708 146 T HA -0.017 4.379 4.350 0.077 0.000 0.266 146 T C 1.962 176.662 174.700 -0.001 0.000 1.037 146 T CA 2.054 64.147 62.100 -0.011 0.000 1.146 146 T CB -0.307 68.567 68.868 0.010 0.000 0.865 146 T HN 0.374 nan 8.240 nan 0.000 0.435 147 I N 0.702 121.271 120.570 -0.002 0.000 2.202 147 I HA -0.059 4.157 4.170 0.077 0.000 0.242 147 I C 2.576 178.705 176.117 0.020 0.000 1.091 147 I CA 1.015 62.323 61.300 0.013 0.000 1.368 147 I CB -1.360 36.651 38.000 0.019 0.000 1.058 147 I HN 0.111 nan 8.210 nan 0.000 0.410 148 V N 1.071 120.991 119.914 0.009 0.000 2.548 148 V HA -0.122 4.044 4.120 0.077 0.000 0.249 148 V C 2.664 178.773 176.094 0.025 0.000 1.055 148 V CA 1.564 63.880 62.300 0.026 0.000 1.065 148 V CB -0.301 31.526 31.823 0.006 0.000 0.681 148 V HN 0.400 nan 8.190 nan 0.000 0.462 149 A N -0.519 122.308 122.820 0.012 0.000 1.902 149 A HA -0.244 4.122 4.320 0.077 0.000 0.217 149 A C 2.060 179.670 177.584 0.043 0.000 1.181 149 A CA 2.008 54.065 52.037 0.033 0.000 0.623 149 A CB -0.501 18.520 19.000 0.036 0.000 0.818 149 A HN 0.673 nan 8.150 nan 0.000 0.443 150 E N -0.845 119.376 120.200 0.035 0.000 2.106 150 E HA -0.140 4.256 4.350 0.077 0.000 0.192 150 E C 1.932 178.555 176.600 0.037 0.000 0.984 150 E CA 0.978 57.399 56.400 0.035 0.000 0.806 150 E CB -0.223 29.494 29.700 0.028 0.000 0.750 150 E HN 0.508 nan 8.360 nan 0.000 0.458 151 L N 1.009 122.258 121.223 0.043 0.000 2.012 151 L HA -0.171 4.215 4.340 0.077 0.000 0.210 151 L C 1.974 178.883 176.870 0.066 0.000 1.073 151 L CA 1.651 56.524 54.840 0.054 0.000 0.748 151 L CB -0.338 41.771 42.059 0.083 0.000 0.891 151 L HN 0.102 nan 8.230 nan 0.000 0.431 152 L N -0.330 120.932 121.223 0.066 0.000 2.362 152 L HA 0.080 4.466 4.340 0.077 0.000 0.219 152 L C 1.529 178.427 176.870 0.048 0.000 1.134 152 L CA 0.741 55.619 54.840 0.063 0.000 0.807 152 L CB -0.731 41.358 42.059 0.051 0.000 0.927 152 L HN 0.631 nan 8.230 nan 0.000 0.447 153 G N 0.188 109.014 108.800 0.044 0.000 2.142 153 G HA2 -0.237 3.769 3.960 0.077 0.000 0.225 153 G HA3 -0.237 3.769 3.960 0.077 0.000 0.225 153 G C 0.043 174.969 174.900 0.043 0.000 1.015 153 G CA -0.348 44.774 45.100 0.037 0.000 0.716 153 G HN 0.184 nan 8.290 nan 0.000 0.508 154 L N 0.838 122.099 121.223 0.062 0.000 2.375 154 L HA 0.438 4.824 4.340 0.077 0.000 0.271 154 L C -1.307 175.624 176.870 0.102 0.000 1.107 154 L CA -2.204 52.696 54.840 0.099 0.000 0.806 154 L CB 0.381 42.528 42.059 0.147 0.000 1.146 154 L HN -0.092 nan 8.230 nan 0.000 0.447 155 P HA -0.035 nan 4.420 nan 0.000 0.263 155 P C -1.970 175.386 177.300 0.094 0.000 1.168 155 P CA -0.728 62.439 63.100 0.112 0.000 0.759 155 P CB -0.170 31.620 31.700 0.150 0.000 0.782 156 P HA -0.274 nan 4.420 nan 0.000 0.221 156 P C 0.876 178.209 177.300 0.055 0.000 1.107 156 P CA 2.433 65.565 63.100 0.053 0.000 0.986 156 P CB -0.350 31.377 31.700 0.046 0.000 0.774 157 M N -2.887 116.748 119.600 0.058 0.000 2.664 157 M HA 0.607 5.133 4.480 0.077 0.000 0.314 157 M C 0.413 176.754 176.300 0.068 0.000 1.200 157 M CA -0.021 55.314 55.300 0.058 0.000 0.916 157 M CB -0.110 32.520 32.600 0.051 0.000 1.717 157 M HN 0.025 nan 8.290 nan 0.000 0.470 158 D N -0.440 120.003 120.400 0.071 0.000 3.168 158 D HA 0.470 5.156 4.640 0.077 0.000 0.255 158 D C 0.381 176.704 176.300 0.038 0.000 1.314 158 D CA 0.310 54.354 54.000 0.073 0.000 0.900 158 D CB -1.607 39.260 40.800 0.111 0.000 1.072 158 D HN 1.778 nan 8.370 nan 0.000 0.487 159 H N -0.982 118.097 119.070 0.016 0.000 3.792 159 H HA 0.564 5.166 4.556 0.077 0.000 0.229 159 H C 0.618 175.894 175.328 -0.086 0.000 1.632 159 H CA 0.982 57.021 56.048 -0.015 0.000 1.522 159 H CB -0.873 28.887 29.762 -0.002 0.000 1.822 159 H HN 1.052 nan 8.280 nan 0.000 0.672 160 E N 0.056 120.157 120.200 -0.165 0.000 2.421 160 E HA 0.446 4.841 4.350 0.077 0.000 0.265 160 E C 0.853 177.148 176.600 -0.507 0.000 0.990 160 E CA 0.012 56.181 56.400 -0.385 0.000 0.874 160 E CB 0.035 29.377 29.700 -0.596 0.000 1.646 160 E HN 0.654 nan 8.360 nan 0.000 0.451 161 Q N -0.350 118.965 119.800 -0.808 0.000 2.482 161 Q HA 0.138 4.524 4.340 0.077 0.000 0.209 161 Q C 0.855 176.614 176.000 -0.402 0.000 0.961 161 Q CA 1.934 57.412 55.803 -0.542 0.000 0.945 161 Q CB -0.599 27.866 28.738 -0.456 0.000 1.012 161 Q HN 0.580 nan 8.270 nan 0.000 0.515 162 F N 0.581 120.514 119.950 -0.029 0.000 2.456 162 F HA 0.360 4.933 4.527 0.076 0.000 0.298 162 F C 1.681 177.506 175.800 0.042 0.000 1.104 162 F CA 0.592 58.591 58.000 -0.001 0.000 1.435 162 F CB -0.673 38.309 39.000 -0.029 0.000 1.078 162 F HN 0.319 nan 8.300 nan 0.000 0.546 163 G N 0.037 108.926 108.800 0.148 0.000 2.508 163 G HA2 -0.129 3.877 3.960 0.077 0.000 0.220 163 G HA3 -0.129 3.877 3.960 0.077 0.000 0.220 163 G C -1.511 173.506 174.900 0.196 0.000 1.287 163 G CA -0.243 44.934 45.100 0.128 0.000 0.916 163 G HN 0.333 nan 8.290 nan 0.000 0.574 164 D N -0.424 120.082 120.400 0.177 0.000 2.964 164 D HA 0.413 5.099 4.640 0.077 0.000 0.234 164 D C 1.358 177.775 176.300 0.194 0.000 1.223 164 D CA 0.017 54.146 54.000 0.215 0.000 0.889 164 D CB 0.399 41.229 40.800 0.051 0.000 1.609 164 D HN 0.759 nan 8.370 nan 0.000 0.523 165 W N 3.168 124.626 121.300 0.263 0.000 2.374 165 W HA -0.119 4.585 4.660 0.072 0.000 0.288 165 W C 0.571 177.177 176.519 0.146 0.000 1.218 165 W CA 0.741 58.174 57.345 0.147 0.000 1.245 165 W CB -1.184 28.303 29.460 0.045 0.000 1.126 165 W HN 0.232 nan 8.180 nan 0.000 0.545 166 S N 1.476 116.668 115.700 -0.846 0.000 2.383 166 S HA -0.050 4.466 4.470 0.077 0.000 0.227 166 S C 2.236 176.740 174.600 -0.161 0.000 1.026 166 S CA 1.728 59.476 58.200 -0.752 0.000 0.981 166 S CB -0.900 61.854 63.200 -0.743 0.000 0.818 166 S HN 0.520 nan 8.310 nan 0.000 0.472 167 G N 1.365 110.100 108.800 -0.108 0.000 2.404 167 G HA2 0.006 4.012 3.960 0.077 0.000 0.215 167 G HA3 0.006 4.012 3.960 0.077 0.000 0.215 167 G C 1.581 176.508 174.900 0.045 0.000 1.174 167 G CA 0.765 45.853 45.100 -0.020 0.000 0.780 167 G HN 0.558 nan 8.290 nan 0.000 0.537 168 A N 0.478 123.347 122.820 0.081 0.000 1.908 168 A HA 0.045 4.411 4.320 0.077 0.000 0.218 168 A C 2.341 180.001 177.584 0.126 0.000 1.181 168 A CA 1.416 53.518 52.037 0.109 0.000 0.627 168 A CB -0.432 18.654 19.000 0.144 0.000 0.818 168 A HN 0.306 nan 8.150 nan 0.000 0.445 169 L N -0.779 120.546 121.223 0.169 0.000 2.275 169 L HA -0.102 4.284 4.340 0.077 0.000 0.215 169 L C 2.292 179.288 176.870 0.210 0.000 1.119 169 L CA 1.005 55.964 54.840 0.199 0.000 0.790 169 L CB -0.159 42.038 42.059 0.229 0.000 0.919 169 L HN 0.232 nan 8.230 nan 0.000 0.443 170 V N -1.504 118.516 119.914 0.176 0.000 2.575 170 V HA -0.087 4.079 4.120 0.077 0.000 0.242 170 V C 1.737 177.879 176.094 0.079 0.000 1.045 170 V CA 1.238 63.614 62.300 0.127 0.000 1.065 170 V CB -0.203 31.659 31.823 0.065 0.000 0.717 170 V HN 0.343 nan 8.190 nan 0.000 0.467 171 D N -0.030 120.409 120.400 0.066 0.000 2.240 171 D HA 0.167 4.853 4.640 0.077 0.000 0.206 171 D C 0.803 177.131 176.300 0.047 0.000 0.963 171 D CA 0.540 54.568 54.000 0.046 0.000 0.863 171 D CB 0.380 41.202 40.800 0.036 0.000 0.973 171 D HN 0.324 nan 8.370 nan 0.000 0.501 172 I N 3.569 124.173 120.570 0.056 0.000 2.322 172 I HA 0.002 4.218 4.170 0.077 0.000 0.292 172 I C 0.405 176.549 176.117 0.044 0.000 1.060 172 I CA -0.765 60.563 61.300 0.046 0.000 1.309 172 I CB 0.835 38.864 38.000 0.049 0.000 1.415 172 I HN -0.142 nan 8.210 nan 0.000 0.492 173 Q N 8.229 128.047 119.800 0.031 0.000 2.271 173 Q HA 0.103 4.489 4.340 0.077 0.000 0.273 173 Q C -0.604 175.400 176.000 0.006 0.000 1.051 173 Q CA 0.442 56.261 55.803 0.025 0.000 0.901 173 Q CB 1.435 30.185 28.738 0.019 0.000 1.174 173 Q HN 0.773 nan 8.270 nan 0.000 0.385 174 M N 2.837 122.443 119.600 0.009 0.000 2.785 174 M HA 0.095 4.621 4.480 0.077 0.000 0.374 174 M C -0.251 176.023 176.300 -0.044 0.000 1.221 174 M CA -0.253 55.037 55.300 -0.017 0.000 0.912 174 M CB 0.652 33.254 32.600 0.003 0.000 1.355 174 M HN 0.525 nan 8.290 nan 0.000 0.513 175 D N 1.953 122.312 120.400 -0.068 0.000 2.116 175 D HA -0.120 4.566 4.640 0.077 0.000 0.193 175 D C 0.061 176.142 176.300 -0.366 0.000 0.998 175 D CA 1.500 55.435 54.000 -0.109 0.000 0.836 175 D CB 0.197 40.945 40.800 -0.087 0.000 0.951 175 D HN 0.453 nan 8.370 nan 0.000 0.449 176 D N -0.452 119.617 120.400 -0.550 0.000 2.464 176 D HA 0.129 4.815 4.640 0.077 0.000 0.243 176 D C -2.102 174.037 176.300 -0.269 0.000 1.104 176 D CA -1.789 51.819 54.000 -0.654 0.000 0.883 176 D CB 1.479 41.726 40.800 -0.923 0.000 1.050 176 D HN 0.098 nan 8.370 nan 0.000 0.524 177 P HA -0.088 nan 4.420 nan 0.000 0.242 177 P C 1.020 178.276 177.300 -0.074 0.000 1.197 177 P CA 0.689 63.732 63.100 -0.095 0.000 0.765 177 P CB 0.060 31.716 31.700 -0.073 0.000 0.936 178 T N -4.719 109.792 114.554 -0.073 0.000 3.107 178 T HA 0.032 4.428 4.350 0.077 0.000 0.249 178 T C 0.558 175.235 174.700 -0.039 0.000 1.096 178 T CA -0.218 61.859 62.100 -0.039 0.000 1.012 178 T CB -0.705 68.158 68.868 -0.009 0.000 0.977 178 T HN -0.085 nan 8.240 nan 0.000 0.527 179 D N 2.834 123.197 120.400 -0.062 0.000 2.371 179 D HA 0.188 4.874 4.640 0.077 0.000 0.256 179 D C -1.532 174.750 176.300 -0.030 0.000 1.193 179 D CA -2.352 51.621 54.000 -0.046 0.000 0.881 179 D CB 1.580 42.338 40.800 -0.070 0.000 1.143 179 D HN 0.015 nan 8.370 nan 0.000 0.473 180 P HA -0.094 nan 4.420 nan 0.000 0.217 180 P C 0.999 178.294 177.300 -0.008 0.000 1.150 180 P CA 1.401 64.494 63.100 -0.011 0.000 0.832 180 P CB 0.065 31.762 31.700 -0.005 0.000 0.787 181 A N -0.319 122.496 122.820 -0.007 0.000 1.978 181 A HA -0.195 4.171 4.320 0.077 0.000 0.220 181 A C 2.205 179.787 177.584 -0.004 0.000 1.170 181 A CA 1.453 53.489 52.037 -0.003 0.000 0.636 181 A CB -1.696 17.303 19.000 -0.001 0.000 0.810 181 A HN 0.221 nan 8.150 nan 0.000 0.448 182 L N -0.883 120.331 121.223 -0.014 0.000 2.056 182 L HA -0.107 4.279 4.340 0.077 0.000 0.207 182 L C 2.769 179.635 176.870 -0.007 0.000 1.078 182 L CA 1.519 56.350 54.840 -0.014 0.000 0.749 182 L CB -0.385 41.654 42.059 -0.033 0.000 0.901 182 L HN 0.372 nan 8.230 nan 0.000 0.433 183 A N -0.466 122.347 122.820 -0.011 0.000 1.933 183 A HA -0.286 4.080 4.320 0.077 0.000 0.218 183 A C 2.194 179.779 177.584 0.003 0.000 1.175 183 A CA 1.888 53.920 52.037 -0.008 0.000 0.628 183 A CB -0.612 18.381 19.000 -0.013 0.000 0.814 183 A HN 0.646 nan 8.150 nan 0.000 0.444 184 E N -0.606 119.596 120.200 0.004 0.000 2.047 184 E HA -0.199 4.197 4.350 0.077 0.000 0.191 184 E C 2.198 178.809 176.600 0.018 0.000 0.987 184 E CA 0.783 57.190 56.400 0.011 0.000 0.799 184 E CB -0.067 29.639 29.700 0.010 0.000 0.752 184 E HN 0.341 nan 8.360 nan 0.000 0.449 185 R N 0.380 120.891 120.500 0.018 0.000 2.105 185 R HA -0.123 4.263 4.340 0.077 0.000 0.239 185 R C 2.377 178.697 176.300 0.034 0.000 1.135 185 R CA 1.031 57.146 56.100 0.026 0.000 0.967 185 R CB -0.641 29.673 30.300 0.023 0.000 0.861 185 R HN 0.401 nan 8.270 nan 0.000 0.442 186 I N 0.391 120.979 120.570 0.029 0.000 2.202 186 I HA -0.222 3.994 4.170 0.077 0.000 0.242 186 I C 2.514 178.655 176.117 0.041 0.000 1.091 186 I CA 1.270 62.592 61.300 0.037 0.000 1.368 186 I CB -0.454 37.562 38.000 0.026 0.000 1.058 186 I HN 0.075 nan 8.210 nan 0.000 0.410 187 A N 0.453 123.292 122.820 0.031 0.000 1.933 187 A HA -0.313 4.053 4.320 0.077 0.000 0.218 187 A C 1.966 179.576 177.584 0.043 0.000 1.175 187 A CA 2.335 54.392 52.037 0.033 0.000 0.628 187 A CB -0.776 18.239 19.000 0.024 0.000 0.814 187 A HN 0.486 nan 8.150 nan 0.000 0.444 188 D N -0.112 120.314 120.400 0.042 0.000 2.123 188 D HA -0.161 4.525 4.640 0.077 0.000 0.196 188 D C 1.873 178.212 176.300 0.065 0.000 0.992 188 D CA 2.307 56.336 54.000 0.049 0.000 0.833 188 D CB -0.134 40.692 40.800 0.042 0.000 0.954 188 D HN 0.400 nan 8.370 nan 0.000 0.455 189 V N -1.545 118.411 119.914 0.070 0.000 2.649 189 V HA 0.032 4.197 4.120 0.077 0.000 0.248 189 V C 2.404 178.559 176.094 0.103 0.000 1.054 189 V CA 0.801 63.155 62.300 0.092 0.000 1.073 189 V CB -0.632 31.249 31.823 0.096 0.000 0.699 189 V HN 0.220 nan 8.190 nan 0.000 0.463 190 L N 0.479 121.750 121.223 0.081 0.000 2.209 190 L HA 0.047 4.433 4.340 0.077 0.000 0.207 190 L C 2.580 179.485 176.870 0.059 0.000 1.094 190 L CA 1.660 56.541 54.840 0.069 0.000 0.790 190 L CB -0.706 41.384 42.059 0.052 0.000 0.932 190 L HN 0.407 nan 8.230 nan 0.000 0.447 191 N N 0.410 119.147 118.700 0.062 0.000 2.094 191 N HA -0.163 4.623 4.740 0.077 0.000 0.191 191 N C -0.959 174.595 175.510 0.074 0.000 1.023 191 N CA 1.652 54.737 53.050 0.058 0.000 0.857 191 N CB -0.566 37.953 38.487 0.055 0.000 1.013 191 N HN 0.102 nan 8.380 nan 0.000 0.426 192 P HA -0.076 nan 4.420 nan 0.000 0.218 192 P C 1.344 178.689 177.300 0.075 0.000 1.149 192 P CA 0.628 63.841 63.100 0.188 0.000 0.817 192 P CB 0.042 31.923 31.700 0.302 0.000 0.785 193 L N -0.081 121.115 121.223 -0.044 0.000 2.072 193 L HA -0.074 4.312 4.340 0.077 0.000 0.205 193 L C 2.207 178.981 176.870 -0.159 0.000 1.079 193 L CA 2.523 57.160 54.840 -0.340 0.000 0.752 193 L CB -1.924 40.030 42.059 -0.176 0.000 0.906 193 L HN 0.042 nan 8.230 nan 0.000 0.436 194 T N -2.600 111.924 114.554 -0.049 0.000 2.746 194 T HA -0.140 4.256 4.350 0.077 0.000 0.267 194 T C 1.932 176.629 174.700 -0.006 0.000 1.039 194 T CA 1.242 63.331 62.100 -0.019 0.000 1.142 194 T CB -0.940 67.930 68.868 0.004 0.000 0.866 194 T HN 0.356 nan 8.240 nan 0.000 0.444 195 A N 0.557 123.390 122.820 0.023 0.000 1.902 195 A HA -0.014 4.352 4.320 0.077 0.000 0.217 195 A C 2.201 179.813 177.584 0.047 0.000 1.181 195 A CA 1.694 53.757 52.037 0.045 0.000 0.623 195 A CB -1.351 17.699 19.000 0.084 0.000 0.818 195 A HN 0.667 nan 8.150 nan 0.000 0.443 196 Y N 0.591 120.834 120.300 -0.096 0.000 2.128 196 Y HA -0.188 4.408 4.550 0.077 0.000 0.284 196 Y C 1.934 177.772 175.900 -0.104 0.000 1.154 196 Y CA 1.980 60.012 58.100 -0.113 0.000 1.149 196 Y CB -0.321 37.904 38.460 -0.393 0.000 0.976 196 Y HN 0.216 nan 8.280 nan 0.000 0.505 197 L N 0.239 121.386 121.223 -0.127 0.000 2.093 197 L HA -0.205 4.181 4.340 0.077 0.000 0.208 197 L C 2.611 179.394 176.870 -0.145 0.000 1.085 197 L CA 1.676 56.416 54.840 -0.168 0.000 0.755 197 L CB -0.573 41.451 42.059 -0.058 0.000 0.904 197 L HN 0.160 nan 8.230 nan 0.000 0.435 198 K N 0.504 120.852 120.400 -0.088 0.000 2.097 198 K HA -0.190 4.176 4.320 0.077 0.000 0.206 198 K C 2.133 178.685 176.600 -0.080 0.000 1.049 198 K CA 1.322 57.574 56.287 -0.057 0.000 0.933 198 K CB -0.043 32.443 32.500 -0.023 0.000 0.717 198 K HN 0.281 nan 8.250 nan 0.000 0.442 199 A N 1.547 124.297 122.820 -0.117 0.000 1.930 199 A HA -0.129 4.237 4.320 0.077 0.000 0.217 199 A C 1.982 179.473 177.584 -0.156 0.000 1.175 199 A CA 1.022 52.988 52.037 -0.119 0.000 0.627 199 A CB -0.326 18.605 19.000 -0.115 0.000 0.815 199 A HN 0.224 nan 8.150 nan 0.000 0.443 200 R N -0.399 119.951 120.500 -0.251 0.000 2.075 200 R HA -0.103 4.282 4.340 0.077 0.000 0.232 200 R C 2.223 178.458 176.300 -0.109 0.000 1.126 200 R CA 1.464 57.438 56.100 -0.209 0.000 0.963 200 R CB -1.556 28.574 30.300 -0.284 0.000 0.858 200 R HN 0.603 nan 8.270 nan 0.000 0.435 201 C N 0.772 120.020 119.300 -0.088 0.000 2.413 201 C HA -0.066 4.440 4.460 0.077 0.000 0.276 201 C C 2.985 177.954 174.990 -0.035 0.000 1.236 201 C CA 0.839 59.831 59.018 -0.042 0.000 1.735 201 C CB -1.137 26.587 27.740 -0.026 0.000 2.031 201 C HN 0.568 nan 8.230 nan 0.000 0.474 202 A N 0.360 123.156 122.820 -0.041 0.000 1.940 202 A HA -0.253 4.113 4.320 0.077 0.000 0.219 202 A C 2.192 179.760 177.584 -0.028 0.000 1.176 202 A CA 2.025 54.045 52.037 -0.029 0.000 0.631 202 A CB -0.718 18.266 19.000 -0.027 0.000 0.814 202 A HN 0.771 nan 8.150 nan 0.000 0.446 203 E N -0.663 119.514 120.200 -0.039 0.000 2.072 203 E HA -0.229 4.167 4.350 0.077 0.000 0.191 203 E C 1.982 178.569 176.600 -0.022 0.000 0.985 203 E CA 0.932 57.313 56.400 -0.031 0.000 0.801 203 E CB -0.134 29.540 29.700 -0.043 0.000 0.750 203 E HN 0.373 nan 8.360 nan 0.000 0.452 204 R N 0.567 121.053 120.500 -0.023 0.000 2.115 204 R HA -0.020 4.366 4.340 0.077 0.000 0.226 204 R C 2.399 178.694 176.300 -0.009 0.000 1.100 204 R CA 0.873 56.966 56.100 -0.012 0.000 0.980 204 R CB -0.781 29.513 30.300 -0.009 0.000 0.875 204 R HN 0.259 nan 8.270 nan 0.000 0.445 205 R N 0.617 121.111 120.500 -0.011 0.000 2.096 205 R HA -0.055 4.331 4.340 0.077 0.000 0.235 205 R C 1.955 178.251 176.300 -0.007 0.000 1.127 205 R CA 1.432 57.526 56.100 -0.008 0.000 0.968 205 R CB -0.107 30.187 30.300 -0.010 0.000 0.861 205 R HN 0.187 nan 8.270 nan 0.000 0.440 206 A N -0.076 122.739 122.820 -0.009 0.000 1.930 206 A HA -0.115 4.251 4.320 0.077 0.000 0.217 206 A C 0.563 178.145 177.584 -0.005 0.000 1.175 206 A CA 1.448 53.481 52.037 -0.006 0.000 0.627 206 A CB 0.122 19.118 19.000 -0.007 0.000 0.815 206 A HN 0.375 nan 8.150 nan 0.000 0.443 207 D N -1.015 119.383 120.400 -0.005 0.000 2.586 207 D HA 0.292 4.978 4.640 0.077 0.000 0.254 207 D C -3.089 173.209 176.300 -0.002 0.000 1.248 207 D CA -1.734 52.264 54.000 -0.003 0.000 0.843 207 D CB 1.075 41.874 40.800 -0.002 0.000 1.332 207 D HN 0.064 nan 8.370 nan 0.000 0.523 208 P HA 0.405 nan 4.420 nan 0.000 0.275 208 P C 0.267 177.568 177.300 0.002 0.000 1.228 208 P CA -0.116 62.984 63.100 0.000 0.000 0.786 208 P CB 1.861 33.561 31.700 -0.000 0.000 0.927 209 G N 1.270 110.072 108.800 0.004 0.000 3.234 209 G HA2 0.326 4.332 3.960 0.077 0.000 0.159 209 G HA3 0.326 4.332 3.960 0.077 0.000 0.159 209 G C -0.294 174.610 174.900 0.006 0.000 1.175 209 G CA -0.336 44.767 45.100 0.005 0.000 0.900 209 G HN 0.534 nan 8.290 nan 0.000 0.621 210 D N 0.130 120.534 120.400 0.007 0.000 2.535 210 D HA 0.093 4.779 4.640 0.077 0.000 0.229 210 D C -0.400 175.908 176.300 0.012 0.000 1.238 210 D CA -0.221 53.783 54.000 0.007 0.000 0.824 210 D CB -0.232 40.569 40.800 0.002 0.000 1.045 210 D HN 0.309 nan 8.370 nan 0.000 0.500 211 D N 0.251 120.662 120.400 0.017 0.000 2.363 211 D HA -0.061 4.625 4.640 0.077 0.000 0.240 211 D C 1.423 177.748 176.300 0.042 0.000 1.236 211 D CA -0.680 53.337 54.000 0.027 0.000 0.927 211 D CB 1.202 42.019 40.800 0.028 0.000 1.150 211 D HN -0.013 nan 8.370 nan 0.000 0.458 212 L N 0.026 121.288 121.223 0.065 0.000 2.109 212 L HA 0.033 4.419 4.340 0.077 0.000 0.207 212 L C 2.013 178.942 176.870 0.099 0.000 1.086 212 L CA 1.255 56.157 54.840 0.103 0.000 0.760 212 L CB -0.421 41.739 42.059 0.168 0.000 0.910 212 L HN 0.591 nan 8.230 nan 0.000 0.437 213 I N -1.210 119.404 120.570 0.074 0.000 2.163 213 I HA -0.333 3.883 4.170 0.077 0.000 0.243 213 I C 2.396 178.536 176.117 0.039 0.000 1.085 213 I CA 1.493 62.827 61.300 0.056 0.000 1.347 213 I CB -0.477 37.539 38.000 0.027 0.000 1.044 213 I HN 0.204 nan 8.210 nan 0.000 0.408 214 S N 0.431 116.148 115.700 0.028 0.000 2.370 214 S HA -0.155 4.361 4.470 0.077 0.000 0.226 214 S C 2.052 176.664 174.600 0.020 0.000 1.033 214 S CA 1.124 59.334 58.200 0.017 0.000 1.011 214 S CB -0.248 62.959 63.200 0.013 0.000 0.852 214 S HN 0.330 nan 8.310 nan 0.000 0.457 215 R N 0.880 121.398 120.500 0.030 0.000 2.115 215 R HA 0.096 4.482 4.340 0.077 0.000 0.230 215 R C 2.190 178.504 176.300 0.025 0.000 1.111 215 R CA 0.720 56.837 56.100 0.027 0.000 0.976 215 R CB -0.935 29.387 30.300 0.037 0.000 0.870 215 R HN 0.420 nan 8.270 nan 0.000 0.445 216 L N 0.711 121.959 121.223 0.042 0.000 2.093 216 L HA -0.125 4.261 4.340 0.077 0.000 0.208 216 L C 2.486 179.358 176.870 0.003 0.000 1.085 216 L CA 0.933 55.789 54.840 0.027 0.000 0.755 216 L CB -0.536 41.569 42.059 0.076 0.000 0.904 216 L HN 0.017 nan 8.230 nan 0.000 0.435 217 V N -2.789 117.131 119.914 0.010 0.000 2.427 217 V HA -0.181 3.985 4.120 0.077 0.000 0.248 217 V C 1.995 178.084 176.094 -0.007 0.000 1.051 217 V CA 1.332 63.632 62.300 -0.000 0.000 1.048 217 V CB -0.563 31.260 31.823 0.001 0.000 0.666 217 V HN 0.359 nan 8.190 nan 0.000 0.456 218 L N 0.936 122.156 121.223 -0.005 0.000 2.509 218 L HA 0.423 4.809 4.340 0.077 0.000 0.222 218 L C 1.684 178.545 176.870 -0.015 0.000 1.123 218 L CA 0.360 55.195 54.840 -0.009 0.000 0.856 218 L CB -0.535 41.521 42.059 -0.005 0.000 0.985 218 L HN 0.385 nan 8.230 nan 0.000 0.456 219 A N 1.178 123.986 122.820 -0.020 0.000 2.462 219 A HA 0.249 4.615 4.320 0.077 0.000 0.243 219 A C 0.079 177.640 177.584 -0.037 0.000 1.076 219 A CA 0.341 52.359 52.037 -0.031 0.000 0.773 219 A CB 0.252 19.225 19.000 -0.045 0.000 1.010 219 A HN 0.329 nan 8.150 nan 0.000 0.493 220 E N 1.281 121.458 120.200 -0.037 0.000 2.343 220 E HA 0.517 4.912 4.350 0.077 0.000 0.286 220 E C -2.058 174.518 176.600 -0.039 0.000 0.915 220 E CA -0.442 55.935 56.400 -0.038 0.000 0.784 220 E CB 1.849 31.531 29.700 -0.030 0.000 1.251 220 E HN 0.447 nan 8.360 nan 0.000 0.407 221 V N 4.160 124.047 119.914 -0.046 0.000 2.577 221 V HA 0.274 4.440 4.120 0.077 0.000 0.303 221 V C -0.540 175.529 176.094 -0.042 0.000 1.042 221 V CA -0.703 61.571 62.300 -0.044 0.000 0.872 221 V CB 1.810 33.600 31.823 -0.055 0.000 0.998 221 V HN 0.936 nan 8.190 nan 0.000 0.423 222 D N 3.841 124.221 120.400 -0.034 0.000 2.772 222 D HA -0.199 4.487 4.640 0.077 0.000 0.233 222 D C 1.358 177.641 176.300 -0.029 0.000 1.143 222 D CA 1.844 55.826 54.000 -0.030 0.000 0.700 222 D CB -1.131 39.649 40.800 -0.033 0.000 1.076 222 D HN 1.531 nan 8.370 nan 0.000 0.430 223 G N -0.435 108.348 108.800 -0.028 0.000 2.184 223 G HA2 -0.405 3.601 3.960 0.077 0.000 0.264 223 G HA3 -0.405 3.601 3.960 0.077 0.000 0.264 223 G C 0.382 175.265 174.900 -0.029 0.000 0.975 223 G CA 0.606 45.690 45.100 -0.025 0.000 0.642 223 G HN 0.577 nan 8.290 nan 0.000 0.536 224 R N 0.950 121.428 120.500 -0.035 0.000 2.221 224 R HA 0.736 5.122 4.340 0.077 0.000 0.327 224 R C 0.217 176.490 176.300 -0.044 0.000 1.033 224 R CA 0.558 56.634 56.100 -0.040 0.000 0.887 224 R CB 0.484 30.754 30.300 -0.049 0.000 1.057 224 R HN 0.883 nan 8.270 nan 0.000 0.455 225 A N 4.778 127.575 122.820 -0.039 0.000 2.423 225 A HA 0.607 4.973 4.320 0.077 0.000 0.304 225 A C -1.073 176.487 177.584 -0.039 0.000 1.104 225 A CA -0.903 51.110 52.037 -0.040 0.000 0.757 225 A CB 1.128 20.111 19.000 -0.029 0.000 1.313 225 A HN 0.656 nan 8.150 nan 0.000 0.423 226 L N 1.799 122.997 121.223 -0.041 0.000 2.326 226 L HA 0.323 4.709 4.340 0.077 0.000 0.278 226 L C 0.119 176.978 176.870 -0.018 0.000 1.092 226 L CA -0.828 53.992 54.840 -0.033 0.000 0.810 226 L CB 0.787 42.824 42.059 -0.037 0.000 1.153 226 L HN 0.915 nan 8.230 nan 0.000 0.439 227 D N 0.280 120.673 120.400 -0.011 0.000 2.433 227 D HA 0.027 4.713 4.640 0.077 0.000 0.255 227 D C 0.341 176.642 176.300 0.001 0.000 1.226 227 D CA -0.490 53.507 54.000 -0.005 0.000 1.015 227 D CB 0.692 41.489 40.800 -0.004 0.000 1.091 227 D HN 0.358 nan 8.370 nan 0.000 0.527 228 D N -0.888 119.512 120.400 0.000 0.000 2.144 228 D HA -0.150 4.536 4.640 0.077 0.000 0.200 228 D C 1.584 177.889 176.300 0.008 0.000 0.978 228 D CA 1.042 55.043 54.000 0.001 0.000 0.833 228 D CB -0.177 40.619 40.800 -0.006 0.000 0.961 228 D HN 0.731 nan 8.370 nan 0.000 0.470 229 E N 0.924 121.129 120.200 0.009 0.000 2.038 229 E HA -0.229 4.166 4.350 0.077 0.000 0.195 229 E C 1.729 178.346 176.600 0.029 0.000 1.000 229 E CA 1.250 57.659 56.400 0.015 0.000 0.803 229 E CB 0.097 29.805 29.700 0.012 0.000 0.750 229 E HN 0.296 nan 8.360 nan 0.000 0.448 230 E N 0.010 120.227 120.200 0.028 0.000 2.051 230 E HA -0.196 4.200 4.350 0.077 0.000 0.192 230 E C 2.068 178.718 176.600 0.083 0.000 0.991 230 E CA 0.928 57.355 56.400 0.045 0.000 0.799 230 E CB -0.175 29.535 29.700 0.017 0.000 0.748 230 E HN 0.386 nan 8.360 nan 0.000 0.449 231 A N 1.433 124.291 122.820 0.063 0.000 1.933 231 A HA -0.120 4.245 4.320 0.077 0.000 0.218 231 A C 2.371 180.025 177.584 0.116 0.000 1.175 231 A CA 1.701 53.798 52.037 0.101 0.000 0.628 231 A CB -0.598 18.435 19.000 0.055 0.000 0.814 231 A HN 0.296 nan 8.150 nan 0.000 0.444 232 A N 0.100 122.955 122.820 0.059 0.000 1.898 232 A HA -0.165 4.201 4.320 0.077 0.000 0.216 232 A C 1.977 179.581 177.584 0.033 0.000 1.181 232 A CA 1.633 53.687 52.037 0.028 0.000 0.620 232 A CB -0.559 18.442 19.000 0.003 0.000 0.819 232 A HN 0.539 nan 8.150 nan 0.000 0.442 233 N N -0.954 117.781 118.700 0.058 0.000 2.142 233 N HA -0.129 4.657 4.740 0.077 0.000 0.186 233 N C 1.500 177.056 175.510 0.076 0.000 1.023 233 N CA 1.518 54.604 53.050 0.059 0.000 0.852 233 N CB -0.561 37.967 38.487 0.068 0.000 0.998 233 N HN 0.520 nan 8.380 nan 0.000 0.424 234 F N 2.129 122.079 119.950 0.000 0.000 2.134 234 F HA -0.114 4.459 4.527 0.077 0.000 0.299 234 F C 2.355 178.137 175.800 -0.029 0.000 1.097 234 F CA 1.140 59.135 58.000 -0.008 0.000 1.264 234 F CB -0.379 38.610 39.000 -0.019 0.000 1.001 234 F HN -0.088 nan 8.300 nan 0.000 0.479 235 S N -0.301 115.336 115.700 -0.106 0.000 2.399 235 S HA -0.212 4.304 4.470 0.077 0.000 0.231 235 S C 2.085 176.559 174.600 -0.210 0.000 1.022 235 S CA 1.679 59.768 58.200 -0.185 0.000 0.983 235 S CB -0.930 62.256 63.200 -0.024 0.000 0.803 235 S HN 0.713 nan 8.310 nan 0.000 0.480 236 T N 1.359 115.829 114.554 -0.138 0.000 2.674 236 T HA -0.038 4.358 4.350 0.077 0.000 0.265 236 T C 1.993 176.596 174.700 -0.162 0.000 1.039 236 T CA 1.207 63.243 62.100 -0.108 0.000 1.150 236 T CB -0.752 68.087 68.868 -0.049 0.000 0.864 236 T HN 0.338 nan 8.240 nan 0.000 0.427 237 A N 1.622 124.314 122.820 -0.212 0.000 1.883 237 A HA 0.067 4.433 4.320 0.077 0.000 0.217 237 A C 2.399 179.754 177.584 -0.381 0.000 1.186 237 A CA 1.746 53.619 52.037 -0.274 0.000 0.624 237 A CB -1.111 17.747 19.000 -0.236 0.000 0.822 237 A HN 0.468 nan 8.150 nan 0.000 0.444 238 L N -0.729 120.153 121.223 -0.569 0.000 2.017 238 L HA -0.131 4.255 4.340 0.077 0.000 0.208 238 L C 2.406 179.092 176.870 -0.306 0.000 1.073 238 L CA 1.965 56.472 54.840 -0.555 0.000 0.745 238 L CB -0.386 41.224 42.059 -0.749 0.000 0.894 238 L HN 0.497 nan 8.230 nan 0.000 0.432 239 L N -1.288 119.795 121.223 -0.232 0.000 1.976 239 L HA -0.243 4.143 4.340 0.077 0.000 0.209 239 L C 2.363 179.174 176.870 -0.098 0.000 1.071 239 L CA 1.737 56.502 54.840 -0.126 0.000 0.746 239 L CB -0.285 41.723 42.059 -0.084 0.000 0.890 239 L HN 0.251 nan 8.230 nan 0.000 0.432 240 L N -0.483 120.672 121.223 -0.113 0.000 2.046 240 L HA -0.180 4.206 4.340 0.077 0.000 0.208 240 L C 2.800 179.526 176.870 -0.240 0.000 1.077 240 L CA 1.117 55.877 54.840 -0.133 0.000 0.747 240 L CB -0.970 41.025 42.059 -0.107 0.000 0.896 240 L HN 0.371 nan 8.230 nan 0.000 0.432 241 A N 0.350 123.036 122.820 -0.223 0.000 1.972 241 A HA -0.111 4.255 4.320 0.077 0.000 0.219 241 A C 2.338 179.814 177.584 -0.180 0.000 1.169 241 A CA 1.758 53.681 52.037 -0.190 0.000 0.635 241 A CB -1.039 17.832 19.000 -0.216 0.000 0.810 241 A HN 0.459 nan 8.150 nan 0.000 0.446 242 G N -2.064 106.637 108.800 -0.165 0.000 2.551 242 G HA2 0.001 4.007 3.960 0.077 0.000 0.216 242 G HA3 0.001 4.007 3.960 0.077 0.000 0.216 242 G C 1.397 176.231 174.900 -0.111 0.000 1.137 242 G CA 1.164 46.197 45.100 -0.111 0.000 0.798 242 G HN 0.716 nan 8.290 nan 0.000 0.536 243 H N 0.779 119.668 119.070 -0.301 0.000 2.300 243 H HA 0.204 4.806 4.556 0.078 0.000 0.312 243 H C 2.398 177.399 175.328 -0.544 0.000 1.057 243 H CA 0.785 56.622 56.048 -0.351 0.000 1.380 243 H CB -0.568 28.997 29.762 -0.329 0.000 1.424 243 H HN 0.160 nan 8.280 nan 0.000 0.534 244 I N 0.952 120.677 120.570 -1.408 0.000 2.113 244 I HA -0.379 3.837 4.170 0.077 0.000 0.242 244 I C 2.518 178.013 176.117 -1.038 0.000 1.057 244 I CA 2.417 62.477 61.300 -2.065 0.000 1.314 244 I CB -0.626 36.265 38.000 -1.847 0.000 1.022 244 I HN 0.563 nan 8.210 nan 0.000 0.408 245 T N -3.494 110.614 114.554 -0.745 0.000 2.812 245 T HA -0.119 4.277 4.350 0.077 0.000 0.264 245 T C 1.856 176.363 174.700 -0.321 0.000 1.042 245 T CA 1.657 63.388 62.100 -0.617 0.000 1.140 245 T CB -0.698 67.861 68.868 -0.516 0.000 0.870 245 T HN 0.198 nan 8.240 nan 0.000 0.445 246 T N 1.786 116.219 114.554 -0.201 0.000 2.821 246 T HA -0.048 4.348 4.350 0.077 0.000 0.267 246 T C 2.176 176.871 174.700 -0.008 0.000 1.046 246 T CA 1.705 63.767 62.100 -0.063 0.000 1.139 246 T CB -0.835 68.028 68.868 -0.008 0.000 0.871 246 T HN 0.528 nan 8.240 nan 0.000 0.454 247 T N 1.644 116.206 114.554 0.013 0.000 2.674 247 T HA -0.085 4.311 4.350 0.077 0.000 0.265 247 T C 2.091 176.878 174.700 0.143 0.000 1.039 247 T CA 1.140 63.337 62.100 0.161 0.000 1.150 247 T CB -0.544 68.539 68.868 0.359 0.000 0.864 247 T HN 0.153 nan 8.240 nan 0.000 0.427 248 V N 1.496 121.444 119.914 0.056 0.000 2.343 248 V HA -0.114 4.052 4.120 0.077 0.000 0.247 248 V C 2.406 178.500 176.094 0.000 0.000 1.051 248 V CA 1.325 63.651 62.300 0.044 0.000 1.036 248 V CB -0.680 31.078 31.823 -0.107 0.000 0.654 248 V HN 0.313 nan 8.190 nan 0.000 0.451 249 L N -0.326 120.865 121.223 -0.053 0.000 2.046 249 L HA -0.127 4.259 4.340 0.077 0.000 0.208 249 L C 2.179 179.060 176.870 0.018 0.000 1.077 249 L CA 1.886 56.704 54.840 -0.036 0.000 0.747 249 L CB -0.691 41.336 42.059 -0.053 0.000 0.896 249 L HN 0.289 nan 8.230 nan 0.000 0.432 250 L N -0.203 121.050 121.223 0.050 0.000 2.046 250 L HA 0.004 4.390 4.340 0.077 0.000 0.208 250 L C 2.342 179.264 176.870 0.088 0.000 1.077 250 L CA 2.029 56.918 54.840 0.083 0.000 0.747 250 L CB -1.444 40.684 42.059 0.115 0.000 0.896 250 L HN 0.312 nan 8.230 nan 0.000 0.432 251 G N -0.668 108.187 108.800 0.092 0.000 2.446 251 G HA2 -0.342 3.664 3.960 0.077 0.000 0.217 251 G HA3 -0.342 3.664 3.960 0.077 0.000 0.217 251 G C 1.430 176.357 174.900 0.044 0.000 1.168 251 G CA 0.935 46.080 45.100 0.076 0.000 0.771 251 G HN 0.463 nan 8.290 nan 0.000 0.551 252 N N 0.541 119.259 118.700 0.031 0.000 2.166 252 N HA -0.030 4.756 4.740 0.077 0.000 0.186 252 N C 2.168 177.671 175.510 -0.012 0.000 1.019 252 N CA 0.656 53.715 53.050 0.014 0.000 0.856 252 N CB -0.237 38.259 38.487 0.014 0.000 0.993 252 N HN 0.385 nan 8.380 nan 0.000 0.426 253 I N -0.009 120.557 120.570 -0.007 0.000 2.202 253 I HA -0.199 4.017 4.170 0.077 0.000 0.242 253 I C 1.903 177.975 176.117 -0.076 0.000 1.091 253 I CA 0.759 62.029 61.300 -0.051 0.000 1.368 253 I CB -0.127 37.868 38.000 -0.007 0.000 1.058 253 I HN -0.075 nan 8.210 nan 0.000 0.410 254 V N 0.661 120.593 119.914 0.030 0.000 2.427 254 V HA -0.231 3.935 4.120 0.077 0.000 0.248 254 V C 2.529 178.672 176.094 0.082 0.000 1.051 254 V CA 1.639 64.012 62.300 0.122 0.000 1.048 254 V CB -0.771 31.177 31.823 0.209 0.000 0.666 254 V HN 0.351 nan 8.190 nan 0.000 0.456 255 R N -0.174 120.343 120.500 0.027 0.000 2.091 255 R HA -0.146 4.240 4.340 0.077 0.000 0.238 255 R C 2.375 178.650 176.300 -0.042 0.000 1.136 255 R CA 1.985 58.091 56.100 0.009 0.000 0.959 255 R CB -0.648 29.655 30.300 0.006 0.000 0.856 255 R HN 0.522 nan 8.270 nan 0.000 0.437 256 T N 1.540 116.015 114.554 -0.132 0.000 2.812 256 T HA -0.016 4.380 4.350 0.077 0.000 0.264 256 T C 1.932 176.392 174.700 -0.400 0.000 1.042 256 T CA 0.788 62.702 62.100 -0.311 0.000 1.140 256 T CB -0.092 68.464 68.868 -0.520 0.000 0.870 256 T HN 0.124 nan 8.240 nan 0.000 0.445 257 L N 1.096 122.076 121.223 -0.405 0.000 2.131 257 L HA -0.111 4.275 4.340 0.077 0.000 0.210 257 L C 2.503 179.290 176.870 -0.137 0.000 1.092 257 L CA 1.208 55.767 54.840 -0.469 0.000 0.759 257 L CB -0.539 40.867 42.059 -1.089 0.000 0.903 257 L HN 0.208 nan 8.230 nan 0.000 0.435 258 D N 0.239 120.689 120.400 0.085 0.000 2.219 258 D HA -0.180 4.506 4.640 0.077 0.000 0.205 258 D C 1.960 178.291 176.300 0.052 0.000 0.970 258 D CA 1.061 55.194 54.000 0.222 0.000 0.851 258 D CB 0.187 41.087 40.800 0.167 0.000 0.943 258 D HN 0.341 nan 8.370 nan 0.000 0.488 259 E N -1.335 118.824 120.200 -0.070 0.000 2.299 259 E HA -0.035 4.361 4.350 0.077 0.000 0.193 259 E C 0.255 176.545 176.600 -0.517 0.000 0.998 259 E CA 0.558 56.812 56.400 -0.243 0.000 0.851 259 E CB 0.257 29.815 29.700 -0.237 0.000 0.795 259 E HN 0.426 nan 8.360 nan 0.000 0.492 260 H N -0.235 118.827 119.070 -0.014 0.000 2.439 260 H HA 0.126 4.710 4.556 0.047 0.000 0.230 260 H C -1.993 173.408 175.328 0.122 0.000 1.420 260 H CA -1.439 54.666 56.048 0.096 0.000 1.305 260 H CB 0.873 30.769 29.762 0.223 0.000 1.667 260 H HN 0.121 nan 8.280 nan 0.000 0.515 261 P HA -0.032 nan 4.420 nan 0.000 0.230 261 P C 1.454 178.914 177.300 0.267 0.000 1.158 261 P CA 0.522 63.798 63.100 0.294 0.000 0.769 261 P CB 0.271 32.160 31.700 0.315 0.000 0.807 262 A N 0.040 122.933 122.820 0.121 0.000 2.019 262 A HA -0.203 4.163 4.320 0.077 0.000 0.219 262 A C 2.057 179.629 177.584 -0.019 0.000 1.164 262 A CA 1.142 53.194 52.037 0.024 0.000 0.644 262 A CB -1.568 17.383 19.000 -0.082 0.000 0.805 262 A HN 0.244 nan 8.150 nan 0.000 0.449 263 H N -2.316 116.798 119.070 0.073 0.000 2.491 263 H HA -0.138 4.462 4.556 0.074 0.000 0.290 263 H C 1.822 177.175 175.328 0.040 0.000 1.050 263 H CA 1.167 57.224 56.048 0.014 0.000 1.309 263 H CB -0.173 29.568 29.762 -0.035 0.000 1.392 263 H HN 0.812 nan 8.280 nan 0.000 0.554 264 W N 1.538 122.943 121.300 0.174 0.000 2.335 264 W HA -0.158 4.549 4.660 0.079 0.000 0.311 264 W C 2.136 178.712 176.519 0.095 0.000 1.213 264 W CA 0.678 58.099 57.345 0.126 0.000 1.274 264 W CB -0.136 29.383 29.460 0.098 0.000 1.148 264 W HN 0.083 nan 8.180 nan 0.000 0.498 265 D N -0.253 120.337 120.400 0.317 0.000 2.178 265 D HA -0.105 4.580 4.640 0.077 0.000 0.202 265 D C 2.187 178.570 176.300 0.140 0.000 0.974 265 D CA 1.600 55.713 54.000 0.189 0.000 0.841 265 D CB -0.793 40.085 40.800 0.129 0.000 0.953 265 D HN 0.085 nan 8.370 nan 0.000 0.478 266 A N 0.910 123.802 122.820 0.120 0.000 1.902 266 A HA -0.069 4.297 4.320 0.077 0.000 0.217 266 A C 2.268 179.916 177.584 0.106 0.000 1.181 266 A CA 2.157 54.245 52.037 0.086 0.000 0.623 266 A CB -0.621 18.413 19.000 0.056 0.000 0.818 266 A HN 0.237 nan 8.150 nan 0.000 0.443 267 A N -0.591 122.314 122.820 0.143 0.000 2.016 267 A HA 0.332 4.698 4.320 0.077 0.000 0.217 267 A C 2.387 180.053 177.584 0.136 0.000 1.162 267 A CA 1.570 53.687 52.037 0.133 0.000 0.662 267 A CB -0.716 18.370 19.000 0.144 0.000 0.812 267 A HN 0.945 nan 8.150 nan 0.000 0.450 268 A N 0.011 122.927 122.820 0.160 0.000 1.929 268 A HA -0.106 4.259 4.320 0.077 0.000 0.216 268 A C 1.899 179.539 177.584 0.094 0.000 1.176 268 A CA 1.420 53.538 52.037 0.135 0.000 0.628 268 A CB -0.384 18.703 19.000 0.145 0.000 0.816 268 A HN 0.597 nan 8.150 nan 0.000 0.444 269 E N -0.828 119.424 120.200 0.086 0.000 2.106 269 E HA -0.122 4.274 4.350 0.077 0.000 0.192 269 E C -0.212 176.421 176.600 0.055 0.000 0.984 269 E CA 1.061 57.498 56.400 0.062 0.000 0.806 269 E CB 0.082 29.815 29.700 0.055 0.000 0.750 269 E HN 0.481 nan 8.360 nan 0.000 0.458 270 D N -0.944 119.492 120.400 0.061 0.000 2.330 270 D HA 0.137 4.823 4.640 0.077 0.000 0.249 270 D C -2.334 174.002 176.300 0.060 0.000 1.306 270 D CA -2.278 51.754 54.000 0.052 0.000 0.956 270 D CB 1.299 42.125 40.800 0.043 0.000 1.261 270 D HN -0.258 nan 8.370 nan 0.000 0.544 271 P HA 0.026 nan 4.420 nan 0.000 0.226 271 P C 1.379 178.712 177.300 0.054 0.000 1.146 271 P CA 0.625 63.765 63.100 0.067 0.000 0.773 271 P CB 0.319 32.058 31.700 0.066 0.000 0.772 272 G N 0.001 108.828 108.800 0.045 0.000 2.498 272 G HA2 -0.228 3.778 3.960 0.077 0.000 0.219 272 G HA3 -0.228 3.778 3.960 0.077 0.000 0.219 272 G C 1.541 176.461 174.900 0.034 0.000 1.119 272 G CA 0.133 45.255 45.100 0.037 0.000 0.766 272 G HN 0.283 nan 8.290 nan 0.000 0.552 273 R N -0.406 120.118 120.500 0.040 0.000 2.280 273 R HA 0.180 4.566 4.340 0.077 0.000 0.207 273 R C 2.200 178.516 176.300 0.027 0.000 1.043 273 R CA 0.119 56.239 56.100 0.033 0.000 1.006 273 R CB -0.173 30.158 30.300 0.051 0.000 0.885 273 R HN 0.413 nan 8.270 nan 0.000 0.467 274 I N 1.113 121.707 120.570 0.039 0.000 2.202 274 I HA -0.171 4.045 4.170 0.077 0.000 0.242 274 I C -0.836 175.299 176.117 0.031 0.000 1.091 274 I CA 1.117 62.440 61.300 0.038 0.000 1.368 274 I CB -1.062 36.973 38.000 0.058 0.000 1.058 274 I HN 0.016 nan 8.210 nan 0.000 0.410 275 P HA -0.228 nan 4.420 nan 0.000 0.216 275 P C 1.431 178.746 177.300 0.026 0.000 1.153 275 P CA 1.984 65.109 63.100 0.041 0.000 0.858 275 P CB -0.032 31.695 31.700 0.044 0.000 0.789 276 A N -1.234 121.587 122.820 0.002 0.000 1.969 276 A HA -0.140 4.226 4.320 0.077 0.000 0.218 276 A C 2.188 179.727 177.584 -0.075 0.000 1.169 276 A CA 1.175 53.192 52.037 -0.033 0.000 0.635 276 A CB -1.504 17.467 19.000 -0.048 0.000 0.810 276 A HN 0.124 nan 8.150 nan 0.000 0.445 277 I N -0.598 119.934 120.570 -0.064 0.000 2.252 277 I HA -0.200 4.016 4.170 0.077 0.000 0.245 277 I C 2.322 178.441 176.117 0.003 0.000 1.102 277 I CA 0.997 62.257 61.300 -0.066 0.000 1.385 277 I CB -0.215 37.757 38.000 -0.046 0.000 1.064 277 I HN 0.153 nan 8.210 nan 0.000 0.414 278 V N 0.538 120.462 119.914 0.017 0.000 2.295 278 V HA -0.243 3.923 4.120 0.077 0.000 0.246 278 V C 2.494 178.611 176.094 0.038 0.000 1.049 278 V CA 1.699 64.023 62.300 0.040 0.000 1.024 278 V CB -0.610 31.249 31.823 0.061 0.000 0.648 278 V HN 0.389 nan 8.190 nan 0.000 0.447 279 E N -0.050 120.170 120.200 0.034 0.000 2.077 279 E HA -0.240 4.156 4.350 0.077 0.000 0.193 279 E C 2.212 178.812 176.600 -0.001 0.000 0.989 279 E CA 1.472 57.891 56.400 0.032 0.000 0.800 279 E CB -0.211 29.514 29.700 0.042 0.000 0.746 279 E HN 0.671 nan 8.360 nan 0.000 0.452 280 E N 0.573 120.751 120.200 -0.036 0.000 2.107 280 E HA -0.083 4.313 4.350 0.077 0.000 0.191 280 E C 2.027 178.708 176.600 0.135 0.000 0.982 280 E CA 0.584 56.944 56.400 -0.066 0.000 0.809 280 E CB -0.040 29.447 29.700 -0.355 0.000 0.756 280 E HN 0.002 nan 8.360 nan 0.000 0.459 281 V N 0.714 120.746 119.914 0.197 0.000 2.427 281 V HA -0.219 3.947 4.120 0.077 0.000 0.248 281 V C 2.435 178.590 176.094 0.101 0.000 1.051 281 V CA 1.491 63.906 62.300 0.193 0.000 1.048 281 V CB -0.483 31.391 31.823 0.085 0.000 0.666 281 V HN 0.298 nan 8.190 nan 0.000 0.456 282 L N -0.307 120.926 121.223 0.016 0.000 2.042 282 L HA -0.221 4.165 4.340 0.077 0.000 0.210 282 L C 2.772 179.615 176.870 -0.045 0.000 1.076 282 L CA 1.934 56.727 54.840 -0.079 0.000 0.749 282 L CB -0.506 41.444 42.059 -0.181 0.000 0.893 282 L HN 0.275 nan 8.230 nan 0.000 0.432 283 R N -1.122 119.379 120.500 0.001 0.000 2.066 283 R HA -0.227 4.158 4.340 0.077 0.000 0.232 283 R C 2.439 178.780 176.300 0.068 0.000 1.131 283 R CA 1.695 57.791 56.100 -0.005 0.000 0.955 283 R CB -0.380 29.872 30.300 -0.080 0.000 0.851 283 R HN 0.251 nan 8.270 nan 0.000 0.432 284 Y N 0.362 120.660 120.300 -0.004 0.000 2.220 284 Y HA 0.010 4.586 4.550 0.044 0.000 0.291 284 Y C 0.515 176.433 175.900 0.031 0.000 1.129 284 Y CA 1.419 59.541 58.100 0.036 0.000 1.161 284 Y CB 0.407 38.946 38.460 0.132 0.000 0.997 284 Y HN -0.099 nan 8.280 nan 0.000 0.522 285 R N 0.839 121.399 120.500 0.100 0.000 2.644 285 R HA 0.240 4.626 4.340 0.077 0.000 0.271 285 R C -2.812 173.488 176.300 0.000 0.000 1.687 285 R CA -1.980 54.133 56.100 0.021 0.000 1.655 285 R CB 0.791 31.126 30.300 0.059 0.000 1.285 285 R HN 0.043 nan 8.270 nan 0.000 0.643 286 P HA 0.065 nan 4.420 nan 0.000 0.267 286 P C -2.256 174.994 177.300 -0.083 0.000 1.209 286 P CA -1.058 62.004 63.100 -0.063 0.000 0.763 286 P CB 1.106 32.794 31.700 -0.020 0.000 0.816 287 P HA -0.075 nan 4.420 nan 0.000 0.216 287 P C 0.033 177.140 177.300 -0.322 0.000 1.150 287 P CA 1.448 64.361 63.100 -0.312 0.000 0.837 287 P CB -0.003 31.394 31.700 -0.505 0.000 0.786 288 F N -0.173 119.697 119.950 -0.132 0.000 2.325 288 F HA 0.272 4.845 4.527 0.076 0.000 0.369 288 F C -1.366 174.369 175.800 -0.108 0.000 1.095 288 F CA -2.516 55.401 58.000 -0.139 0.000 1.082 288 F CB 1.700 40.601 39.000 -0.164 0.000 1.289 288 F HN -0.053 nan 8.300 nan 0.000 0.462 289 P HA -0.100 nan 4.420 nan 0.000 0.233 289 P C -0.689 176.574 177.300 -0.062 0.000 1.167 289 P CA 0.881 64.032 63.100 0.086 0.000 0.770 289 P CB 0.350 32.159 31.700 0.181 0.000 0.837 290 Q N -0.301 119.368 119.800 -0.218 0.000 2.418 290 Q HA 0.650 5.036 4.340 0.077 0.000 0.282 290 Q C -0.900 174.914 176.000 -0.311 0.000 1.044 290 Q CA -1.053 54.492 55.803 -0.430 0.000 0.813 290 Q CB 1.988 30.177 28.738 -0.914 0.000 1.428 290 Q HN -0.149 nan 8.270 nan 0.000 0.402 291 M N 0.539 119.967 119.600 -0.287 0.000 2.644 291 M HA 0.510 5.036 4.480 0.077 0.000 0.304 291 M C -1.238 174.922 176.300 -0.233 0.000 1.215 291 M CA -0.945 54.202 55.300 -0.255 0.000 0.871 291 M CB 2.265 34.746 32.600 -0.198 0.000 1.740 291 M HN 0.694 nan 8.290 nan 0.000 0.464 292 Q N 1.426 121.103 119.800 -0.206 0.000 2.309 292 Q HA 0.750 5.136 4.340 0.077 0.000 0.264 292 Q C -1.056 174.868 176.000 -0.127 0.000 1.008 292 Q CA -1.123 54.583 55.803 -0.162 0.000 0.853 292 Q CB 2.470 31.121 28.738 -0.145 0.000 1.314 292 Q HN 0.486 nan 8.270 nan 0.000 0.448 293 R N 0.624 121.078 120.500 -0.077 0.000 2.888 293 R HA 0.676 5.062 4.340 0.077 0.000 0.264 293 R C -0.891 175.428 176.300 0.031 0.000 1.045 293 R CA -0.829 55.266 56.100 -0.010 0.000 0.962 293 R CB 2.108 32.446 30.300 0.063 0.000 1.210 293 R HN 0.626 nan 8.270 nan 0.000 0.479 294 T N 1.011 115.593 114.554 0.047 0.000 2.848 294 T HA 0.290 4.685 4.350 0.077 0.000 0.285 294 T C -0.342 174.364 174.700 0.011 0.000 0.995 294 T CA -0.670 61.447 62.100 0.029 0.000 0.970 294 T CB 1.701 70.563 68.868 -0.010 0.000 0.976 294 T HN 0.636 nan 8.240 nan 0.000 0.441 295 T N -0.160 114.378 114.554 -0.028 0.000 2.901 295 T HA 0.248 4.644 4.350 0.077 0.000 0.301 295 T C 1.456 176.056 174.700 -0.166 0.000 1.012 295 T CA -0.323 61.666 62.100 -0.185 0.000 1.135 295 T CB 0.788 69.518 68.868 -0.231 0.000 0.936 295 T HN 0.687 nan 8.240 nan 0.000 0.539 296 T N -1.330 113.094 114.554 -0.217 0.000 3.060 296 T HA 0.240 4.636 4.350 0.077 0.000 0.249 296 T C 0.349 174.961 174.700 -0.147 0.000 1.079 296 T CA -0.235 61.776 62.100 -0.149 0.000 1.013 296 T CB -0.395 68.392 68.868 -0.134 0.000 0.975 296 T HN 0.998 nan 8.240 nan 0.000 0.518 297 K N -0.324 119.961 120.400 -0.192 0.000 2.615 297 K HA 0.707 5.073 4.320 0.077 0.000 0.291 297 K C -1.269 175.215 176.600 -0.193 0.000 1.017 297 K CA -1.062 55.126 56.287 -0.164 0.000 0.882 297 K CB 0.887 33.296 32.500 -0.152 0.000 1.522 297 K HN -0.036 nan 8.250 nan 0.000 0.412 298 A N 0.862 123.593 122.820 -0.148 0.000 2.540 298 A HA 0.402 4.768 4.320 0.077 0.000 0.239 298 A C -0.032 177.447 177.584 -0.175 0.000 1.061 298 A CA 0.964 52.910 52.037 -0.152 0.000 0.758 298 A CB 0.029 18.967 19.000 -0.104 0.000 0.991 298 A HN 0.670 nan 8.150 nan 0.000 0.502 299 T N 0.639 115.077 114.554 -0.194 0.000 2.762 299 T HA 0.582 4.978 4.350 0.077 0.000 0.301 299 T C -1.478 173.155 174.700 -0.110 0.000 1.299 299 T CA -0.265 61.737 62.100 -0.164 0.000 1.005 299 T CB 1.201 69.906 68.868 -0.272 0.000 1.377 299 T HN 0.881 nan 8.240 nan 0.000 0.504 300 E N 0.960 121.138 120.200 -0.037 0.000 2.266 300 E HA 0.711 5.107 4.350 0.077 0.000 0.268 300 E C -1.594 175.038 176.600 0.053 0.000 0.879 300 E CA -0.978 55.415 56.400 -0.013 0.000 0.762 300 E CB 2.156 31.852 29.700 -0.007 0.000 1.199 300 E HN 0.300 nan 8.360 nan 0.000 0.422 301 V N 1.891 121.833 119.914 0.047 0.000 2.483 301 V HA 0.534 4.700 4.120 0.077 0.000 0.297 301 V C 0.465 176.597 176.094 0.062 0.000 1.027 301 V CA -0.038 62.300 62.300 0.063 0.000 0.855 301 V CB 0.973 32.825 31.823 0.049 0.000 0.995 301 V HN 1.096 nan 8.190 nan 0.000 0.424 302 A N 3.941 126.796 122.820 0.058 0.000 2.832 302 A HA -0.008 4.358 4.320 0.077 0.000 0.280 302 A C 1.760 179.381 177.584 0.063 0.000 1.464 302 A CA 1.404 53.478 52.037 0.062 0.000 0.804 302 A CB -1.614 17.433 19.000 0.078 0.000 1.020 302 A HN 2.691 nan 8.150 nan 0.000 0.563 303 G N -3.738 105.093 108.800 0.051 0.000 2.162 303 G HA2 -0.026 3.980 3.960 0.077 0.000 0.260 303 G HA3 -0.026 3.980 3.960 0.077 0.000 0.260 303 G C 0.330 175.262 174.900 0.054 0.000 0.976 303 G CA 0.597 45.725 45.100 0.046 0.000 0.655 303 G HN 1.849 nan 8.290 nan 0.000 0.533 304 V N 2.945 122.899 119.914 0.067 0.000 2.383 304 V HA 0.487 4.653 4.120 0.077 0.000 0.275 304 V C -1.501 174.597 176.094 0.006 0.000 1.036 304 V CA -1.521 60.834 62.300 0.091 0.000 0.889 304 V CB 1.699 33.628 31.823 0.177 0.000 0.985 304 V HN 0.217 nan 8.190 nan 0.000 0.459 305 P HA 0.394 nan 4.420 nan 0.000 0.282 305 P C -0.822 176.292 177.300 -0.311 0.000 1.262 305 P CA -0.050 62.992 63.100 -0.096 0.000 0.773 305 P CB 1.016 32.703 31.700 -0.022 0.000 0.879 306 I N 6.172 126.476 120.570 -0.444 0.000 2.378 306 I HA 0.332 4.548 4.170 0.077 0.000 0.291 306 I C -1.966 173.887 176.117 -0.440 0.000 0.992 306 I CA -2.909 57.905 61.300 -0.809 0.000 1.154 306 I CB 2.285 39.778 38.000 -0.845 0.000 1.315 306 I HN 0.140 nan 8.210 nan 0.000 0.448 307 P HA 0.196 nan 4.420 nan 0.000 0.274 307 P C -0.510 176.694 177.300 -0.160 0.000 1.256 307 P CA -0.407 62.599 63.100 -0.157 0.000 0.795 307 P CB 0.671 32.350 31.700 -0.035 0.000 1.038 308 A N 0.419 123.172 122.820 -0.111 0.000 2.406 308 A HA 0.182 4.548 4.320 0.077 0.000 0.243 308 A C 0.418 177.963 177.584 -0.064 0.000 1.082 308 A CA 0.139 52.114 52.037 -0.104 0.000 0.786 308 A CB -0.956 17.994 19.000 -0.084 0.000 1.029 308 A HN 0.713 nan 8.150 nan 0.000 0.495 309 D N -1.716 118.646 120.400 -0.063 0.000 2.800 309 D HA -0.143 4.543 4.640 0.077 0.000 0.232 309 D C -0.071 176.232 176.300 0.005 0.000 1.137 309 D CA 1.423 55.406 54.000 -0.029 0.000 0.718 309 D CB -2.259 38.529 40.800 -0.019 0.000 1.084 309 D HN 1.188 nan 8.370 nan 0.000 0.432 310 V N -4.090 115.830 119.914 0.010 0.000 3.001 310 V HA 0.700 4.866 4.120 0.077 0.000 0.314 310 V C 0.320 176.462 176.094 0.080 0.000 1.099 310 V CA -1.164 61.184 62.300 0.080 0.000 0.989 310 V CB 2.725 34.655 31.823 0.178 0.000 1.040 310 V HN 0.011 nan 8.190 nan 0.000 0.434 311 M N 2.654 122.318 119.600 0.106 0.000 2.235 311 M HA 0.597 5.123 4.480 0.077 0.000 0.351 311 M C -1.012 175.349 176.300 0.102 0.000 1.178 311 M CA -0.088 55.252 55.300 0.065 0.000 1.143 311 M CB 1.285 33.897 32.600 0.020 0.000 1.530 311 M HN 0.727 nan 8.290 nan 0.000 0.461 312 V N 5.210 125.153 119.914 0.049 0.000 2.531 312 V HA 0.385 4.551 4.120 0.077 0.000 0.301 312 V C -0.149 175.887 176.094 -0.097 0.000 1.034 312 V CA -1.036 61.280 62.300 0.027 0.000 0.865 312 V CB 1.947 33.806 31.823 0.061 0.000 0.995 312 V HN 0.830 nan 8.190 nan 0.000 0.424 313 N N 2.567 121.157 118.700 -0.184 0.000 2.424 313 N HA 0.369 5.155 4.740 0.077 0.000 0.271 313 N C -0.335 175.076 175.510 -0.164 0.000 0.985 313 N CA -0.340 52.564 53.050 -0.243 0.000 0.921 313 N CB 1.506 39.785 38.487 -0.346 0.000 1.149 313 N HN 0.813 nan 8.380 nan 0.000 0.492 314 T N 0.938 115.379 114.554 -0.189 0.000 2.733 314 T HA 0.271 4.667 4.350 0.077 0.000 0.294 314 T C -0.363 174.296 174.700 -0.068 0.000 0.956 314 T CA -0.630 61.412 62.100 -0.098 0.000 0.987 314 T CB 0.089 68.887 68.868 -0.117 0.000 0.920 314 T HN 0.386 nan 8.240 nan 0.000 0.470 315 W N 4.766 126.083 121.300 0.028 0.000 2.247 315 W HA 0.386 5.090 4.660 0.073 0.000 0.394 315 W C 1.643 178.235 176.519 0.121 0.000 0.939 315 W CA -1.057 56.373 57.345 0.141 0.000 1.548 315 W CB 0.125 29.767 29.460 0.304 0.000 1.610 315 W HN 0.779 nan 8.180 nan 0.000 0.336 316 V N 1.887 121.922 119.914 0.201 0.000 2.392 316 V HA -0.314 3.852 4.120 0.077 0.000 0.249 316 V C 1.848 178.077 176.094 0.226 0.000 1.059 316 V CA 1.944 64.342 62.300 0.164 0.000 1.051 316 V CB -0.798 31.073 31.823 0.079 0.000 0.658 316 V HN 0.515 nan 8.190 nan 0.000 0.455 317 L N 1.212 122.613 121.223 0.295 0.000 2.042 317 L HA -0.102 4.284 4.340 0.077 0.000 0.210 317 L C 2.719 179.746 176.870 0.262 0.000 1.076 317 L CA 2.574 57.577 54.840 0.271 0.000 0.749 317 L CB -1.025 41.248 42.059 0.357 0.000 0.893 317 L HN 0.490 nan 8.230 nan 0.000 0.432 318 S N -0.918 115.001 115.700 0.364 0.000 2.368 318 S HA -0.115 4.401 4.470 0.077 0.000 0.224 318 S C 2.178 176.924 174.600 0.244 0.000 1.029 318 S CA 1.082 59.441 58.200 0.265 0.000 0.988 318 S CB -0.492 62.922 63.200 0.356 0.000 0.838 318 S HN 0.666 nan 8.310 nan 0.000 0.462 319 A N 2.073 125.063 122.820 0.284 0.000 1.917 319 A HA -0.152 4.214 4.320 0.077 0.000 0.219 319 A C 1.921 179.727 177.584 0.370 0.000 1.182 319 A CA 2.043 54.267 52.037 0.312 0.000 0.633 319 A CB -0.981 18.159 19.000 0.232 0.000 0.819 319 A HN 0.617 nan 8.150 nan 0.000 0.448 320 N N -0.610 118.261 118.700 0.284 0.000 2.381 320 N HA -0.052 4.734 4.740 0.077 0.000 0.182 320 N C 1.134 176.730 175.510 0.145 0.000 1.025 320 N CA 0.670 53.849 53.050 0.216 0.000 0.888 320 N CB -0.122 38.423 38.487 0.096 0.000 0.965 320 N HN 0.294 nan 8.380 nan 0.000 0.438 321 R N 0.429 121.015 120.500 0.143 0.000 2.427 321 R HA 0.137 4.523 4.340 0.077 0.000 0.262 321 R C -0.434 175.932 176.300 0.109 0.000 0.943 321 R CA -0.208 55.948 56.100 0.093 0.000 1.081 321 R CB -0.329 29.995 30.300 0.041 0.000 1.166 321 R HN 0.107 nan 8.270 nan 0.000 0.534 322 D N 1.102 121.597 120.400 0.160 0.000 2.325 322 D HA -0.006 4.680 4.640 0.077 0.000 0.251 322 D C 1.097 177.437 176.300 0.067 0.000 1.196 322 D CA 0.065 54.129 54.000 0.107 0.000 0.866 322 D CB 1.190 42.074 40.800 0.141 0.000 1.101 322 D HN 0.073 nan 8.370 nan 0.000 0.476 323 S N 2.646 118.370 115.700 0.040 0.000 2.469 323 S HA -0.162 4.354 4.470 0.077 0.000 0.238 323 S C 1.103 175.693 174.600 -0.017 0.000 0.998 323 S CA 0.522 58.736 58.200 0.023 0.000 0.957 323 S CB 0.078 63.288 63.200 0.016 0.000 0.764 323 S HN 0.414 nan 8.310 nan 0.000 0.514 324 D N 1.984 122.369 120.400 -0.026 0.000 2.264 324 D HA 0.120 4.806 4.640 0.077 0.000 0.208 324 D C 1.816 178.026 176.300 -0.149 0.000 0.966 324 D CA 1.273 55.240 54.000 -0.055 0.000 0.864 324 D CB -0.189 40.600 40.800 -0.018 0.000 0.933 324 D HN 0.648 nan 8.370 nan 0.000 0.499 325 A N -0.716 121.948 122.820 -0.260 0.000 2.127 325 A HA 0.075 4.441 4.320 0.077 0.000 0.204 325 A C 0.402 177.553 177.584 -0.722 0.000 1.243 325 A CA 0.202 51.864 52.037 -0.625 0.000 0.887 325 A CB 0.407 18.715 19.000 -1.154 0.000 0.933 325 A HN 0.127 nan 8.150 nan 0.000 0.479 326 H N 0.734 119.729 119.070 -0.125 0.000 2.877 326 H HA 0.232 4.837 4.556 0.082 0.000 0.347 326 H C -1.607 173.698 175.328 -0.039 0.000 1.042 326 H CA -1.084 54.922 56.048 -0.071 0.000 1.276 326 H CB 1.221 30.958 29.762 -0.041 0.000 1.681 326 H HN 0.214 nan 8.280 nan 0.000 0.521 327 D N 1.852 122.295 120.400 0.070 0.000 2.414 327 D HA -0.030 4.656 4.640 0.077 0.000 0.242 327 D C 0.548 176.879 176.300 0.052 0.000 1.129 327 D CA 0.515 54.539 54.000 0.039 0.000 0.885 327 D CB 0.589 41.400 40.800 0.018 0.000 1.198 327 D HN 0.564 nan 8.370 nan 0.000 0.437 328 D N 1.518 121.943 120.400 0.040 0.000 2.802 328 D HA -0.146 4.540 4.640 0.077 0.000 0.229 328 D C -1.471 174.866 176.300 0.063 0.000 1.203 328 D CA -0.118 53.908 54.000 0.043 0.000 0.712 328 D CB -0.019 40.798 40.800 0.029 0.000 0.973 328 D HN 0.262 nan 8.370 nan 0.000 0.407 329 P HA -0.095 nan 4.420 nan 0.000 0.223 329 P C 0.691 178.064 177.300 0.121 0.000 1.151 329 P CA 0.752 63.910 63.100 0.098 0.000 0.787 329 P CB 0.311 32.075 31.700 0.106 0.000 0.788 330 D N -0.760 119.718 120.400 0.130 0.000 2.339 330 D HA 0.014 4.700 4.640 0.077 0.000 0.217 330 D C 0.944 177.422 176.300 0.298 0.000 1.050 330 D CA 0.125 54.249 54.000 0.207 0.000 0.856 330 D CB 0.048 40.926 40.800 0.129 0.000 0.922 330 D HN 0.217 nan 8.370 nan 0.000 0.518 331 R N 1.041 121.642 120.500 0.168 0.000 2.267 331 R HA 0.095 4.481 4.340 0.077 0.000 0.319 331 R C -0.613 175.664 176.300 -0.039 0.000 1.067 331 R CA -0.543 55.603 56.100 0.076 0.000 0.936 331 R CB 0.204 30.513 30.300 0.016 0.000 1.006 331 R HN -0.231 nan 8.270 nan 0.000 0.452 332 F N 5.136 124.832 119.950 -0.423 0.000 2.466 332 F HA 0.150 4.723 4.527 0.078 0.000 0.363 332 F C -0.667 174.844 175.800 -0.481 0.000 1.109 332 F CA -0.178 57.375 58.000 -0.745 0.000 1.161 332 F CB 0.515 38.766 39.000 -1.248 0.000 1.117 332 F HN 0.514 nan 8.300 nan 0.000 0.539 333 D N 8.660 128.539 120.400 -0.868 0.000 2.330 333 D HA 0.315 5.001 4.640 0.077 0.000 0.249 333 D C -2.267 173.669 176.300 -0.607 0.000 1.306 333 D CA -2.072 51.570 54.000 -0.597 0.000 0.956 333 D CB 1.604 42.237 40.800 -0.278 0.000 1.261 333 D HN 0.174 nan 8.370 nan 0.000 0.544 334 P HA -0.104 nan 4.420 nan 0.000 0.223 334 P C 1.222 178.377 177.300 -0.242 0.000 1.144 334 P CA 0.823 63.627 63.100 -0.495 0.000 0.783 334 P CB 0.213 31.624 31.700 -0.483 0.000 0.771 335 S N -0.617 114.971 115.700 -0.187 0.000 2.561 335 S HA -0.061 4.455 4.470 0.077 0.000 0.225 335 S C 0.969 175.519 174.600 -0.083 0.000 0.977 335 S CA -0.512 57.628 58.200 -0.099 0.000 0.926 335 S CB -0.934 62.228 63.200 -0.063 0.000 0.769 335 S HN 0.191 nan 8.310 nan 0.000 0.533 336 R N 0.566 121.001 120.500 -0.108 0.000 2.640 336 R HA 0.278 4.664 4.340 0.077 0.000 0.270 336 R C 0.413 176.695 176.300 -0.030 0.000 1.024 336 R CA -0.251 55.812 56.100 -0.062 0.000 1.085 336 R CB 0.349 30.613 30.300 -0.060 0.000 0.963 336 R HN -0.049 nan 8.270 nan 0.000 0.426 337 K N 1.153 121.548 120.400 -0.008 0.000 2.128 337 K HA -0.048 4.318 4.320 0.077 0.000 0.202 337 K C 0.389 177.003 176.600 0.024 0.000 1.050 337 K CA 1.335 57.624 56.287 0.004 0.000 0.966 337 K CB 0.015 32.517 32.500 0.003 0.000 0.759 337 K HN 0.907 nan 8.250 nan 0.000 0.454 338 S N 0.103 115.825 115.700 0.037 0.000 3.311 338 S HA -0.212 4.304 4.470 0.077 0.000 0.373 338 S C 0.631 175.253 174.600 0.036 0.000 0.945 338 S CA 0.145 58.374 58.200 0.049 0.000 1.238 338 S CB -2.709 60.556 63.200 0.108 0.000 0.893 338 S HN 0.418 nan 8.310 nan 0.000 0.478 339 G N 0.689 109.502 108.800 0.021 0.000 2.168 339 G HA2 0.440 4.446 3.960 0.077 0.000 0.240 339 G HA3 0.440 4.446 3.960 0.077 0.000 0.240 339 G C 1.084 176.000 174.900 0.025 0.000 1.080 339 G CA 0.114 45.226 45.100 0.020 0.000 0.877 339 G HN 2.247 nan 8.290 nan 0.000 0.446 340 G N 0.543 109.360 108.800 0.029 0.000 2.351 340 G HA2 0.219 4.225 3.960 0.077 0.000 0.297 340 G HA3 0.219 4.225 3.960 0.077 0.000 0.297 340 G C 0.505 175.433 174.900 0.047 0.000 1.054 340 G CA 0.399 45.518 45.100 0.031 0.000 1.123 340 G HN 2.029 nan 8.290 nan 0.000 0.512 341 A N -0.093 122.765 122.820 0.063 0.000 2.363 341 A HA 0.935 5.301 4.320 0.077 0.000 0.270 341 A C 0.727 178.383 177.584 0.120 0.000 1.121 341 A CA 0.649 52.742 52.037 0.094 0.000 0.800 341 A CB 1.087 20.149 19.000 0.104 0.000 1.052 341 A HN 2.221 nan 8.150 nan 0.000 0.493 342 A N 1.584 124.496 122.820 0.154 0.000 2.340 342 A HA 0.635 5.001 4.320 0.077 0.000 0.331 342 A C -0.265 177.505 177.584 0.309 0.000 1.140 342 A CA -0.638 51.531 52.037 0.219 0.000 0.801 342 A CB 1.000 20.113 19.000 0.188 0.000 1.234 342 A HN 0.811 nan 8.150 nan 0.000 0.469 343 Q N 1.683 121.746 119.800 0.437 0.000 2.421 343 Q HA 0.349 4.735 4.340 0.077 0.000 0.242 343 Q C 0.159 176.365 176.000 0.345 0.000 1.024 343 Q CA -0.317 55.707 55.803 0.370 0.000 0.891 343 Q CB 0.776 29.780 28.738 0.442 0.000 1.222 343 Q HN 0.695 nan 8.270 nan 0.000 0.483 344 L N 2.548 123.919 121.223 0.247 0.000 2.353 344 L HA -0.036 4.350 4.340 0.077 0.000 0.220 344 L C 1.272 178.182 176.870 0.067 0.000 1.133 344 L CA 1.608 56.562 54.840 0.190 0.000 0.798 344 L CB -0.168 41.993 42.059 0.171 0.000 0.922 344 L HN 0.609 nan 8.230 nan 0.000 0.445 345 S N -1.019 114.656 115.700 -0.042 0.000 2.507 345 S HA -0.006 4.510 4.470 0.077 0.000 0.235 345 S C 1.284 175.689 174.600 -0.325 0.000 0.988 345 S CA 0.779 58.863 58.200 -0.192 0.000 0.944 345 S CB -0.421 62.602 63.200 -0.294 0.000 0.762 345 S HN 0.507 nan 8.310 nan 0.000 0.526 346 F N 1.276 121.136 119.950 -0.149 0.000 2.664 346 F HA 0.374 4.952 4.527 0.084 0.000 0.303 346 F C 1.542 176.994 175.800 -0.580 0.000 1.092 346 F CA 0.005 57.738 58.000 -0.446 0.000 1.305 346 F CB 0.350 38.856 39.000 -0.823 0.000 1.054 346 F HN 0.317 nan 8.300 nan 0.000 0.565 347 G N 0.465 109.223 108.800 -0.071 0.000 2.500 347 G HA2 -0.080 3.926 3.960 0.077 0.000 0.209 347 G HA3 -0.080 3.926 3.960 0.077 0.000 0.209 347 G C -1.634 173.471 174.900 0.341 0.000 1.283 347 G CA -0.728 44.411 45.100 0.065 0.000 0.960 347 G HN 0.463 nan 8.290 nan 0.000 0.528 348 H N -0.672 118.554 119.070 0.259 0.000 3.137 348 H HA 0.675 5.277 4.556 0.078 0.000 0.336 348 H C 0.461 175.923 175.328 0.223 0.000 1.055 348 H CA 1.900 58.124 56.048 0.293 0.000 1.349 348 H CB 1.032 30.878 29.762 0.140 0.000 1.939 348 H HN 2.686 nan 8.280 nan 0.000 0.487 349 G N 1.508 110.166 108.800 -0.237 0.000 2.508 349 G HA2 -0.201 3.805 3.960 0.077 0.000 0.220 349 G HA3 -0.201 3.805 3.960 0.077 0.000 0.220 349 G C 1.036 175.936 174.900 -0.000 0.000 1.287 349 G CA 0.467 45.433 45.100 -0.223 0.000 0.916 349 G HN 1.497 nan 8.290 nan 0.000 0.574 350 V N -2.605 117.285 119.914 -0.040 0.000 2.970 350 V HA 0.097 4.263 4.120 0.077 0.000 0.260 350 V C 1.818 177.884 176.094 -0.047 0.000 1.100 350 V CA 2.478 64.749 62.300 -0.049 0.000 1.122 350 V CB -0.619 31.131 31.823 -0.122 0.000 0.721 350 V HN 0.721 nan 8.190 nan 0.000 0.483 351 H N -0.718 118.376 119.070 0.041 0.000 2.526 351 H HA 0.282 4.884 4.556 0.077 0.000 0.274 351 H C 0.539 175.961 175.328 0.156 0.000 0.999 351 H CA -0.586 55.509 56.048 0.078 0.000 1.157 351 H CB -0.005 29.735 29.762 -0.036 0.000 1.407 351 H HN 0.551 nan 8.280 nan 0.000 0.568 352 F N 1.898 121.929 119.950 0.135 0.000 2.623 352 F HA -0.118 4.455 4.527 0.077 0.000 0.386 352 F C 0.920 176.792 175.800 0.119 0.000 1.068 352 F CA -0.248 57.833 58.000 0.135 0.000 1.265 352 F CB 0.372 39.431 39.000 0.098 0.000 1.026 352 F HN 0.132 nan 8.300 nan 0.000 0.568 353 C N 8.828 127.941 119.300 -0.311 0.000 2.271 353 C HA -0.094 4.412 4.460 0.077 0.000 0.397 353 C C 1.739 176.719 174.990 -0.016 0.000 1.533 353 C CA -0.354 58.572 59.018 -0.154 0.000 1.433 353 C CB -1.725 25.854 27.740 -0.269 0.000 2.511 353 C HN 0.978 nan 8.230 nan 0.000 0.610 354 L N 6.041 127.289 121.223 0.041 0.000 2.201 354 L HA 0.160 4.546 4.340 0.077 0.000 0.212 354 L C 2.185 179.104 176.870 0.082 0.000 1.105 354 L CA 2.353 57.239 54.840 0.076 0.000 0.775 354 L CB -0.559 41.514 42.059 0.022 0.000 0.913 354 L HN 0.895 nan 8.230 nan 0.000 0.440 355 G N -2.324 106.457 108.800 -0.032 0.000 3.189 355 G HA2 0.186 4.192 3.960 0.077 0.000 0.225 355 G HA3 0.186 4.192 3.960 0.077 0.000 0.225 355 G C 1.490 176.355 174.900 -0.058 0.000 1.159 355 G CA 0.423 45.544 45.100 0.035 0.000 0.763 355 G HN 0.499 nan 8.290 nan 0.000 0.549 356 A N 2.108 124.747 122.820 -0.303 0.000 1.883 356 A HA 0.002 4.368 4.320 0.077 0.000 0.217 356 A C 0.626 178.044 177.584 -0.277 0.000 1.186 356 A CA 1.743 53.328 52.037 -0.754 0.000 0.624 356 A CB -1.014 17.240 19.000 -1.243 0.000 0.822 356 A HN 0.341 nan 8.150 nan 0.000 0.444 357 P HA -0.123 nan 4.420 nan 0.000 0.217 357 P C 1.600 178.909 177.300 0.016 0.000 1.150 357 P CA 0.807 63.898 63.100 -0.015 0.000 0.832 357 P CB -0.049 31.651 31.700 0.001 0.000 0.787 358 L N -0.289 120.964 121.223 0.050 0.000 2.072 358 L HA -0.001 4.385 4.340 0.077 0.000 0.205 358 L C 2.228 179.141 176.870 0.071 0.000 1.079 358 L CA 1.869 56.751 54.840 0.070 0.000 0.752 358 L CB -1.591 40.556 42.059 0.146 0.000 0.906 358 L HN -0.129 nan 8.230 nan 0.000 0.436 359 A N -0.166 122.700 122.820 0.076 0.000 1.883 359 A HA -0.261 4.105 4.320 0.077 0.000 0.217 359 A C 2.443 180.111 177.584 0.139 0.000 1.186 359 A CA 2.086 54.195 52.037 0.121 0.000 0.624 359 A CB -0.600 18.536 19.000 0.226 0.000 0.822 359 A HN 0.512 nan 8.150 nan 0.000 0.444 360 R N -1.365 119.219 120.500 0.141 0.000 2.096 360 R HA -0.077 4.309 4.340 0.077 0.000 0.235 360 R C 2.126 178.482 176.300 0.093 0.000 1.127 360 R CA 1.359 57.543 56.100 0.140 0.000 0.968 360 R CB -0.458 29.922 30.300 0.134 0.000 0.861 360 R HN 0.503 nan 8.270 nan 0.000 0.440 361 L N 1.354 122.619 121.223 0.069 0.000 2.044 361 L HA -0.103 4.283 4.340 0.077 0.000 0.205 361 L C 1.750 178.656 176.870 0.059 0.000 1.075 361 L CA 1.818 56.690 54.840 0.054 0.000 0.747 361 L CB -0.298 41.782 42.059 0.035 0.000 0.903 361 L HN 0.082 nan 8.230 nan 0.000 0.435 362 E N -0.564 119.674 120.200 0.063 0.000 2.110 362 E HA -0.198 4.198 4.350 0.077 0.000 0.193 362 E C 1.836 178.481 176.600 0.076 0.000 0.988 362 E CA 1.288 57.727 56.400 0.065 0.000 0.804 362 E CB -0.096 29.641 29.700 0.062 0.000 0.745 362 E HN 0.575 nan 8.360 nan 0.000 0.458 363 N N 0.350 119.098 118.700 0.082 0.000 2.376 363 N HA -0.092 4.694 4.740 0.077 0.000 0.177 363 N C 1.806 177.368 175.510 0.085 0.000 1.024 363 N CA 0.374 53.475 53.050 0.085 0.000 0.893 363 N CB 0.010 38.547 38.487 0.082 0.000 0.980 363 N HN 0.105 nan 8.380 nan 0.000 0.439 364 R N 1.305 121.853 120.500 0.080 0.000 2.070 364 R HA -0.067 4.319 4.340 0.077 0.000 0.233 364 R C 1.982 178.330 176.300 0.079 0.000 1.137 364 R CA 1.273 57.418 56.100 0.075 0.000 0.945 364 R CB -0.284 30.055 30.300 0.066 0.000 0.845 364 R HN -0.096 nan 8.270 nan 0.000 0.430 365 V N 1.262 121.219 119.914 0.073 0.000 2.343 365 V HA -0.224 3.942 4.120 0.077 0.000 0.247 365 V C 2.538 178.686 176.094 0.089 0.000 1.051 365 V CA 1.915 64.258 62.300 0.071 0.000 1.036 365 V CB -0.792 31.066 31.823 0.058 0.000 0.654 365 V HN 0.596 nan 8.190 nan 0.000 0.451 366 A N -0.192 122.688 122.820 0.100 0.000 1.877 366 A HA -0.208 4.158 4.320 0.077 0.000 0.216 366 A C 2.166 179.846 177.584 0.159 0.000 1.186 366 A CA 2.151 54.264 52.037 0.127 0.000 0.620 366 A CB -0.594 18.483 19.000 0.130 0.000 0.822 366 A HN 0.448 nan 8.150 nan 0.000 0.443 367 L N 0.124 121.437 121.223 0.151 0.000 2.093 367 L HA -0.113 4.273 4.340 0.077 0.000 0.208 367 L C 2.139 179.125 176.870 0.193 0.000 1.085 367 L CA 2.255 57.208 54.840 0.187 0.000 0.755 367 L CB -0.724 41.417 42.059 0.137 0.000 0.904 367 L HN 0.528 nan 8.230 nan 0.000 0.435 368 E N -0.617 119.666 120.200 0.140 0.000 2.097 368 E HA -0.233 4.163 4.350 0.077 0.000 0.196 368 E C 1.963 178.636 176.600 0.122 0.000 1.000 368 E CA 1.487 57.960 56.400 0.122 0.000 0.804 368 E CB -0.072 29.680 29.700 0.087 0.000 0.740 368 E HN 0.521 nan 8.360 nan 0.000 0.454 369 E N 0.338 120.608 120.200 0.116 0.000 2.158 369 E HA -0.089 4.307 4.350 0.077 0.000 0.191 369 E C 2.179 178.849 176.600 0.116 0.000 0.982 369 E CA 0.461 56.913 56.400 0.086 0.000 0.823 369 E CB -0.041 29.703 29.700 0.073 0.000 0.766 369 E HN 0.358 nan 8.360 nan 0.000 0.468 370 I N 0.899 121.606 120.570 0.228 0.000 2.179 370 I HA -0.265 3.951 4.170 0.077 0.000 0.242 370 I C 2.399 178.711 176.117 0.324 0.000 1.088 370 I CA 1.078 62.604 61.300 0.376 0.000 1.357 370 I CB -0.193 38.068 38.000 0.436 0.000 1.051 370 I HN 0.032 nan 8.210 nan 0.000 0.409 371 I N 0.460 121.201 120.570 0.284 0.000 2.353 371 I HA -0.234 3.982 4.170 0.077 0.000 0.248 371 I C 2.770 178.964 176.117 0.129 0.000 1.119 371 I CA 1.090 62.538 61.300 0.247 0.000 1.417 371 I CB -0.413 37.763 38.000 0.293 0.000 1.078 371 I HN 0.166 nan 8.210 nan 0.000 0.421 372 A N 0.784 123.654 122.820 0.082 0.000 1.908 372 A HA -0.262 4.104 4.320 0.077 0.000 0.218 372 A C 2.440 179.989 177.584 -0.058 0.000 1.181 372 A CA 1.977 54.025 52.037 0.017 0.000 0.627 372 A CB -0.582 18.422 19.000 0.006 0.000 0.818 372 A HN 0.371 nan 8.150 nan 0.000 0.445 373 R N -2.426 117.978 120.500 -0.159 0.000 2.080 373 R HA 0.050 4.436 4.340 0.077 0.000 0.222 373 R C 1.137 177.216 176.300 -0.367 0.000 1.107 373 R CA 1.448 57.304 56.100 -0.406 0.000 0.980 373 R CB -0.100 29.701 30.300 -0.831 0.000 0.879 373 R HN 0.471 nan 8.270 nan 0.000 0.439 374 F N -1.363 118.592 119.950 0.008 0.000 2.727 374 F HA 0.395 4.969 4.527 0.079 0.000 0.302 374 F C 1.654 177.403 175.800 -0.086 0.000 1.107 374 F CA 0.461 58.440 58.000 -0.034 0.000 1.277 374 F CB 0.834 39.806 39.000 -0.046 0.000 1.079 374 F HN 0.311 nan 8.300 nan 0.000 0.594 375 G N 1.342 110.207 108.800 0.110 0.000 2.562 375 G HA2 -0.347 3.659 3.960 0.077 0.000 0.241 375 G HA3 -0.347 3.659 3.960 0.077 0.000 0.241 375 G C 0.584 175.411 174.900 -0.122 0.000 1.120 375 G CA 0.647 45.771 45.100 0.040 0.000 0.673 375 G HN 0.578 nan 8.290 nan 0.000 0.519 376 R N -1.377 118.880 120.500 -0.405 0.000 2.712 376 R HA 0.783 5.169 4.340 0.077 0.000 0.272 376 R C -1.562 174.145 176.300 -0.989 0.000 1.032 376 R CA -1.148 54.160 56.100 -1.320 0.000 0.874 376 R CB 0.762 30.259 30.300 -1.338 0.000 1.256 376 R HN 0.394 nan 8.270 nan 0.000 0.468 377 L N 0.293 120.770 121.223 -1.244 0.000 2.371 377 L HA 0.661 5.047 4.340 0.077 0.000 0.262 377 L C -0.583 176.089 176.870 -0.330 0.000 1.006 377 L CA -1.010 53.479 54.840 -0.584 0.000 0.818 377 L CB 2.678 44.515 42.059 -0.369 0.000 1.354 377 L HN 0.829 nan 8.230 nan 0.000 0.415 378 T N 0.461 114.877 114.554 -0.230 0.000 2.907 378 T HA 0.562 4.958 4.350 0.077 0.000 0.292 378 T C -0.829 173.807 174.700 -0.107 0.000 1.043 378 T CA -0.401 61.644 62.100 -0.091 0.000 1.003 378 T CB 1.689 70.505 68.868 -0.087 0.000 1.084 378 T HN 0.198 nan 8.240 nan 0.000 0.483 379 V N 4.282 124.166 119.914 -0.050 0.000 2.555 379 V HA 0.239 4.405 4.120 0.077 0.000 0.286 379 V C 0.357 176.406 176.094 -0.076 0.000 1.044 379 V CA -0.390 61.871 62.300 -0.066 0.000 1.026 379 V CB 1.056 32.863 31.823 -0.026 0.000 0.981 379 V HN 0.852 nan 8.190 nan 0.000 0.480 380 D N 4.700 125.040 120.400 -0.100 0.000 2.347 380 D HA 0.264 4.950 4.640 0.077 0.000 0.235 380 D C 0.611 176.874 176.300 -0.062 0.000 1.149 380 D CA -0.380 53.567 54.000 -0.089 0.000 0.850 380 D CB 0.665 41.394 40.800 -0.118 0.000 1.061 380 D HN 0.463 nan 8.370 nan 0.000 0.487 381 R N 3.065 123.537 120.500 -0.046 0.000 2.633 381 R HA 0.134 4.520 4.340 0.077 0.000 0.348 381 R C 0.187 176.467 176.300 -0.033 0.000 1.100 381 R CA -0.367 55.713 56.100 -0.033 0.000 1.068 381 R CB 0.594 30.882 30.300 -0.020 0.000 1.351 381 R HN 0.337 nan 8.270 nan 0.000 0.575 382 D N 1.321 121.698 120.400 -0.040 0.000 2.178 382 D HA -0.153 4.532 4.640 0.077 0.000 0.201 382 D C 0.916 177.197 176.300 -0.033 0.000 0.980 382 D CA 1.423 55.402 54.000 -0.035 0.000 0.842 382 D CB 0.249 41.026 40.800 -0.039 0.000 0.948 382 D HN 0.255 nan 8.370 nan 0.000 0.472 383 D N -0.261 120.117 120.400 -0.036 0.000 2.423 383 D HA 0.076 4.762 4.640 0.077 0.000 0.212 383 D C 0.396 176.677 176.300 -0.032 0.000 1.060 383 D CA 0.349 54.328 54.000 -0.035 0.000 0.872 383 D CB 1.140 41.915 40.800 -0.042 0.000 1.012 383 D HN 0.461 nan 8.370 nan 0.000 0.503 384 E N -0.639 119.543 120.200 -0.030 0.000 2.392 384 E HA 0.335 4.731 4.350 0.077 0.000 0.281 384 E C -0.860 175.731 176.600 -0.014 0.000 1.088 384 E CA -0.881 55.505 56.400 -0.023 0.000 0.850 384 E CB 1.402 31.086 29.700 -0.027 0.000 1.267 384 E HN -0.253 nan 8.360 nan 0.000 0.438 385 R N 0.740 121.238 120.500 -0.004 0.000 2.707 385 R HA 0.314 4.700 4.340 0.077 0.000 0.270 385 R C 0.194 176.512 176.300 0.030 0.000 1.083 385 R CA -0.508 55.601 56.100 0.015 0.000 1.182 385 R CB 0.260 30.572 30.300 0.019 0.000 1.084 385 R HN 0.407 nan 8.270 nan 0.000 0.528 386 L N 2.112 123.373 121.223 0.064 0.000 2.467 386 L HA 0.125 4.511 4.340 0.077 0.000 0.270 386 L C 0.840 177.770 176.870 0.100 0.000 1.205 386 L CA 0.001 54.872 54.840 0.052 0.000 0.828 386 L CB 0.209 42.270 42.059 0.003 0.000 1.101 386 L HN 0.273 nan 8.230 nan 0.000 0.479 387 R N 2.408 122.914 120.500 0.009 0.000 2.296 387 R HA 0.253 4.639 4.340 0.077 0.000 0.327 387 R C -0.362 175.877 176.300 -0.103 0.000 1.137 387 R CA -0.314 55.775 56.100 -0.018 0.000 1.020 387 R CB -0.051 30.212 30.300 -0.061 0.000 1.110 387 R HN 0.550 nan 8.270 nan 0.000 0.499 388 H N 2.195 121.197 119.070 -0.114 0.000 2.629 388 H HA 0.104 4.699 4.556 0.066 0.000 0.357 388 H C 0.255 175.502 175.328 -0.135 0.000 1.121 388 H CA -0.075 55.920 56.048 -0.088 0.000 1.406 388 H CB 0.770 30.536 29.762 0.008 0.000 1.456 388 H HN 0.223 nan 8.280 nan 0.000 0.579 389 F N 1.308 121.327 119.950 0.114 0.000 2.572 389 F HA -0.090 4.480 4.527 0.071 0.000 0.370 389 F C 1.675 177.550 175.800 0.125 0.000 1.103 389 F CA 0.259 58.319 58.000 0.100 0.000 1.286 389 F CB 0.446 39.510 39.000 0.106 0.000 1.105 389 F HN 0.629 nan 8.300 nan 0.000 0.583 390 E N 1.060 121.420 120.200 0.267 0.000 2.400 390 E HA 0.030 4.426 4.350 0.077 0.000 0.195 390 E C -0.525 176.187 176.600 0.186 0.000 1.012 390 E CA 0.394 56.903 56.400 0.182 0.000 0.875 390 E CB 0.318 30.088 29.700 0.117 0.000 0.859 390 E HN 0.716 nan 8.360 nan 0.000 0.498 391 Q N -1.146 118.784 119.800 0.217 0.000 2.456 391 Q HA 0.413 4.799 4.340 0.077 0.000 0.284 391 Q C 0.141 176.229 176.000 0.147 0.000 1.061 391 Q CA -0.835 55.068 55.803 0.167 0.000 0.799 391 Q CB 1.872 30.687 28.738 0.128 0.000 1.445 391 Q HN -0.152 nan 8.270 nan 0.000 0.411 392 I N -2.368 118.261 120.570 0.098 0.000 4.624 392 I HA -0.321 3.895 4.170 0.077 0.000 0.049 392 I C 0.619 176.791 176.117 0.092 0.000 0.621 392 I CA 1.962 63.299 61.300 0.061 0.000 0.836 392 I CB -2.319 35.715 38.000 0.057 0.000 0.765 392 I HN 0.743 nan 8.210 nan 0.000 0.159 393 V N 0.387 120.333 119.914 0.052 0.000 2.850 393 V HA 0.777 4.943 4.120 0.077 0.000 0.315 393 V C -0.094 176.049 176.094 0.081 0.000 1.064 393 V CA -0.888 61.407 62.300 -0.008 0.000 0.979 393 V CB 2.276 33.947 31.823 -0.255 0.000 1.039 393 V HN 0.331 nan 8.190 nan 0.000 0.452 394 L N 3.936 125.198 121.223 0.065 0.000 2.272 394 L HA 0.937 5.323 4.340 0.077 0.000 0.284 394 L C 0.249 177.198 176.870 0.133 0.000 1.045 394 L CA 1.141 56.061 54.840 0.134 0.000 0.842 394 L CB 0.065 42.190 42.059 0.109 0.000 1.224 394 L HN 1.333 nan 8.230 nan 0.000 0.430 395 G N 1.639 110.581 108.800 0.238 0.000 2.342 395 G HA2 0.464 4.470 3.960 0.077 0.000 0.297 395 G HA3 0.464 4.470 3.960 0.077 0.000 0.297 395 G C -1.231 173.777 174.900 0.181 0.000 1.313 395 G CA -0.045 45.182 45.100 0.210 0.000 0.830 395 G HN 0.543 nan 8.290 nan 0.000 0.506 396 T N -2.279 112.299 114.554 0.039 0.000 2.887 396 T HA 0.589 4.985 4.350 0.077 0.000 0.288 396 T C 0.945 175.478 174.700 -0.278 0.000 1.021 396 T CA -0.638 61.319 62.100 -0.238 0.000 1.000 396 T CB 2.524 71.190 68.868 -0.337 0.000 1.034 396 T HN 0.535 nan 8.240 nan 0.000 0.467 397 R N 0.068 120.164 120.500 -0.672 0.000 2.115 397 R HA 0.112 4.498 4.340 0.077 0.000 0.226 397 R C 0.683 176.506 176.300 -0.794 0.000 1.100 397 R CA 0.920 56.523 56.100 -0.828 0.000 0.980 397 R CB -0.047 29.752 30.300 -0.835 0.000 0.875 397 R HN 0.631 nan 8.270 nan 0.000 0.445 398 H N -1.529 117.438 119.070 -0.172 0.000 2.946 398 H HA 0.362 4.963 4.556 0.076 0.000 0.365 398 H C -1.413 173.870 175.328 -0.075 0.000 1.197 398 H CA -0.969 55.025 56.048 -0.089 0.000 1.131 398 H CB 2.095 31.797 29.762 -0.100 0.000 1.849 398 H HN -0.145 nan 8.280 nan 0.000 0.555 399 L N 3.033 124.307 121.223 0.084 0.000 2.492 399 L HA 0.318 4.704 4.340 0.077 0.000 0.259 399 L C -2.787 174.062 176.870 -0.034 0.000 1.229 399 L CA -1.321 53.524 54.840 0.008 0.000 0.903 399 L CB 1.179 43.243 42.059 0.008 0.000 1.114 399 L HN 0.261 nan 8.230 nan 0.000 0.494 400 P HA 0.207 nan 4.420 nan 0.000 0.267 400 P C -0.843 176.335 177.300 -0.203 0.000 1.205 400 P CA 0.163 63.189 63.100 -0.124 0.000 0.765 400 P CB 0.892 32.536 31.700 -0.093 0.000 0.828 401 V N 1.610 121.298 119.914 -0.377 0.000 3.074 401 V HA 0.739 4.905 4.120 0.077 0.000 0.314 401 V C -1.027 174.763 176.094 -0.507 0.000 1.117 401 V CA -1.240 60.793 62.300 -0.445 0.000 1.014 401 V CB 2.230 33.708 31.823 -0.574 0.000 1.057 401 V HN 0.260 nan 8.190 nan 0.000 0.438 402 L N 2.298 123.283 121.223 -0.396 0.000 2.381 402 L HA 0.936 5.322 4.340 0.077 0.000 0.274 402 L C 0.059 176.718 176.870 -0.352 0.000 0.988 402 L CA -0.578 54.069 54.840 -0.321 0.000 0.824 402 L CB 1.369 43.312 42.059 -0.193 0.000 1.263 402 L HN 1.181 nan 8.230 nan 0.000 0.410 403 A N 3.317 125.935 122.820 -0.337 0.000 2.260 403 A HA 0.565 4.931 4.320 0.077 0.000 0.312 403 A C 1.007 178.524 177.584 -0.112 0.000 1.321 403 A CA 0.088 51.953 52.037 -0.287 0.000 0.928 403 A CB 0.480 19.285 19.000 -0.324 0.000 1.158 403 A HN 1.045 nan 8.150 nan 0.000 0.542 404 G N 1.014 109.749 108.800 -0.107 0.000 2.534 404 G HA2 0.224 4.230 3.960 0.077 0.000 0.217 404 G HA3 0.224 4.230 3.960 0.077 0.000 0.217 404 G C 0.689 175.587 174.900 -0.004 0.000 1.128 404 G CA 1.125 46.193 45.100 -0.053 0.000 0.784 404 G HN 0.962 nan 8.290 nan 0.000 0.542 405 S N -1.019 114.701 115.700 0.035 0.000 2.540 405 S HA 0.667 5.182 4.470 0.077 0.000 0.275 405 S C -0.620 174.090 174.600 0.184 0.000 1.123 405 S CA 0.242 58.487 58.200 0.076 0.000 0.907 405 S CB 1.810 65.037 63.200 0.045 0.000 1.081 405 S HN 0.857 nan 8.310 nan 0.000 0.476 406 S N 3.032 118.818 115.700 0.144 0.000 2.611 406 S HA 0.608 5.124 4.470 0.077 0.000 0.268 406 S C -2.905 171.720 174.600 0.042 0.000 1.156 406 S CA -0.990 57.295 58.200 0.141 0.000 0.817 406 S CB 0.927 64.285 63.200 0.263 0.000 1.122 406 S HN 0.400 nan 8.310 nan 0.000 0.466 407 P HA 0.124 nan 4.420 nan 0.000 0.231 407 P C 0.908 178.206 177.300 -0.003 0.000 1.158 407 P CA 0.490 63.576 63.100 -0.024 0.000 0.763 407 P CB -0.027 31.637 31.700 -0.060 0.000 0.805 408 R N -0.828 119.684 120.500 0.020 0.000 2.240 408 R HA 0.056 4.442 4.340 0.077 0.000 0.203 408 R C 0.759 177.074 176.300 0.025 0.000 1.011 408 R CA 0.342 56.456 56.100 0.024 0.000 1.007 408 R CB -0.170 30.156 30.300 0.042 0.000 0.911 408 R HN 0.445 nan 8.270 nan 0.000 0.468 409 Q N 1.278 121.096 119.800 0.029 0.000 2.313 409 Q HA 0.092 4.478 4.340 0.077 0.000 0.266 409 Q C -0.160 175.848 176.000 0.015 0.000 0.989 409 Q CA 0.128 55.946 55.803 0.024 0.000 0.890 409 Q CB 1.404 30.159 28.738 0.028 0.000 1.200 409 Q HN 0.113 nan 8.270 nan 0.000 0.396 410 S N 0.478 116.185 115.700 0.012 0.000 2.661 410 S HA 0.835 5.351 4.470 0.077 0.000 0.285 410 S C -0.621 173.984 174.600 0.007 0.000 1.138 410 S CA -0.873 57.332 58.200 0.008 0.000 0.855 410 S CB 1.420 64.624 63.200 0.007 0.000 1.136 410 S HN 0.669 nan 8.310 nan 0.000 0.484 411 A N 0.000 122.823 122.820 0.005 0.000 2.254 411 A HA 0.000 4.366 4.320 0.077 0.000 0.244 411 A CA 0.000 52.040 52.037 0.005 0.000 0.836 411 A CB 0.000 19.002 19.000 0.004 0.000 0.831 411 A HN 0.000 nan 8.150 nan 0.000 0.486