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 1wyc_1_A DATA FIRST_RESID 5 DATA SEQUENCE STGQHPARYP GAAAGEPTLD SWQEPPHNRW AFAHLGEMVP SAAVSRRPXX DATA SEQUENCE XXGHALARLG AIAAQLPDLE QRLEQTYTDA FLVLRGTEVV AEYYRAGFAP DATA SEQUENCE DDRHLLMSVS KSLCGTVVGA LVDEGRIDPA QPVTEYVPEL AGSVYDGPSV DATA SEQUENCE LQVLDMQISI DYNEDYVDPA SEVQTHDRSA GWRTRRHGDP ADTYEFLTTL DATA SEQUENCE RGDGSTGEFQ YCSANTDVLA WIVERVTGLR YVEALSTYLW AKLDADRDAT DATA SEQUENCE ITVDTTGFGF ANGGVSCTAR DLARVGRMML DGGVAPGGRV VSEDWVRRVL DATA SEQUENCE AGGSHEAMTD KGFTNTFPDG SYTRQWWCTG NERGNVSGIG IHGQNLWLDP DATA SEQUENCE LTDSVIVKLS SWPDPDTEHW HRLQNGILLD VSRALDAV 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 5 S HA 0.000 nan 4.470 nan 0.000 0.327 5 S C 0.000 174.645 174.600 0.074 0.000 1.055 5 S CA 0.000 58.222 58.200 0.037 0.000 1.107 5 S CB 0.000 63.204 63.200 0.007 0.000 0.593 6 T N -1.008 113.600 114.554 0.090 0.000 3.085 6 T HA 0.633 4.985 4.350 0.002 0.000 0.264 6 T C 1.313 176.045 174.700 0.053 0.000 1.019 6 T CA 0.638 62.861 62.100 0.206 0.000 0.910 6 T CB -0.472 68.535 68.868 0.232 0.000 1.059 6 T HN 2.431 nan 8.240 nan 0.000 0.542 7 G N 1.544 110.278 108.800 -0.110 0.000 2.693 7 G HA2 -0.222 3.739 3.960 0.002 0.000 0.226 7 G HA3 -0.222 3.739 3.960 0.002 0.000 0.226 7 G C -0.584 173.994 174.900 -0.537 0.000 1.354 7 G CA -0.396 44.569 45.100 -0.225 0.000 0.873 7 G HN 0.770 nan 8.290 nan 0.000 0.562 8 Q N 0.293 119.848 119.800 -0.408 0.000 2.332 8 Q HA 0.436 4.777 4.340 0.002 0.000 0.263 8 Q C -0.253 175.386 176.000 -0.601 0.000 0.979 8 Q CA -0.211 55.353 55.803 -0.398 0.000 0.885 8 Q CB 0.273 28.903 28.738 -0.180 0.000 1.218 8 Q HN 0.634 nan 8.270 nan 0.000 0.405 9 H N 2.795 121.771 119.070 -0.157 0.000 2.797 9 H HA 0.399 4.956 4.556 0.002 0.000 0.372 9 H C -2.260 173.023 175.328 -0.075 0.000 1.168 9 H CA -2.250 53.692 56.048 -0.176 0.000 1.163 9 H CB 1.111 30.671 29.762 -0.337 0.000 1.778 9 H HN 0.606 nan 8.280 nan 0.000 0.551 10 P HA 0.135 nan 4.420 nan 0.000 0.267 10 P C -0.415 176.881 177.300 -0.006 0.000 1.205 10 P CA -0.179 62.957 63.100 0.061 0.000 0.765 10 P CB 0.319 32.084 31.700 0.109 0.000 0.828 11 A N 3.358 126.130 122.820 -0.080 0.000 2.483 11 A HA 0.064 4.385 4.320 0.002 0.000 0.238 11 A C 1.673 179.094 177.584 -0.271 0.000 1.070 11 A CA -0.118 51.798 52.037 -0.200 0.000 0.770 11 A CB 0.097 18.946 19.000 -0.252 0.000 1.008 11 A HN 0.515 nan 8.150 nan 0.000 0.497 12 R N 0.185 120.428 120.500 -0.430 0.000 2.120 12 R HA -0.053 4.288 4.340 0.002 0.000 0.234 12 R C -0.050 175.845 176.300 -0.674 0.000 1.123 12 R CA 2.238 57.993 56.100 -0.576 0.000 0.975 12 R CB -0.365 29.483 30.300 -0.754 0.000 0.866 12 R HN 0.857 nan 8.270 nan 0.000 0.446 13 Y N -5.033 114.965 120.300 -0.503 0.000 2.655 13 Y HA 0.618 5.169 4.550 0.002 0.000 0.336 13 Y C -2.821 172.997 175.900 -0.137 0.000 1.154 13 Y CA -3.945 53.950 58.100 -0.342 0.000 1.055 13 Y CB 0.216 38.453 38.460 -0.372 0.000 1.295 13 Y HN -0.250 nan 8.280 nan 0.000 0.465 14 P HA 0.201 nan 4.420 nan 0.000 0.258 14 P C 0.757 178.125 177.300 0.113 0.000 1.187 14 P CA 2.350 65.509 63.100 0.098 0.000 0.767 14 P CB 0.361 32.139 31.700 0.130 0.000 0.770 15 G N 2.421 111.206 108.800 -0.025 0.000 2.175 15 G HA2 -0.179 3.782 3.960 0.002 0.000 0.244 15 G HA3 -0.179 3.782 3.960 0.002 0.000 0.244 15 G C 0.443 175.269 174.900 -0.125 0.000 0.982 15 G CA -0.096 44.994 45.100 -0.016 0.000 0.641 15 G HN 0.845 nan 8.290 nan 0.000 0.527 16 A N 0.383 122.920 122.820 -0.471 0.000 2.462 16 A HA 0.780 5.101 4.320 0.002 0.000 0.243 16 A C 1.132 178.545 177.584 -0.284 0.000 1.076 16 A CA 1.146 52.773 52.037 -0.683 0.000 0.773 16 A CB 0.316 18.466 19.000 -1.417 0.000 1.010 16 A HN 2.118 nan 8.150 nan 0.000 0.493 17 A N 1.775 124.521 122.820 -0.123 0.000 2.386 17 A HA 0.550 4.871 4.320 0.002 0.000 0.246 17 A C 0.988 178.517 177.584 -0.092 0.000 1.089 17 A CA 0.157 52.158 52.037 -0.060 0.000 0.790 17 A CB -0.273 18.741 19.000 0.022 0.000 1.042 17 A HN 2.305 nan 8.150 nan 0.000 0.497 18 A N -0.144 122.640 122.820 -0.059 0.000 2.546 18 A HA 0.467 4.788 4.320 0.002 0.000 0.243 18 A C 1.617 179.179 177.584 -0.038 0.000 1.063 18 A CA 0.824 52.833 52.037 -0.047 0.000 0.757 18 A CB -1.034 17.950 19.000 -0.027 0.000 0.991 18 A HN 2.755 nan 8.150 nan 0.000 0.503 19 G N 1.392 110.168 108.800 -0.041 0.000 2.184 19 G HA2 -0.187 3.774 3.960 0.002 0.000 0.264 19 G HA3 -0.187 3.774 3.960 0.002 0.000 0.264 19 G C 0.019 174.879 174.900 -0.066 0.000 0.975 19 G CA 0.514 45.595 45.100 -0.031 0.000 0.642 19 G HN 0.816 nan 8.290 nan 0.000 0.536 20 E N 1.091 121.220 120.200 -0.117 0.000 2.204 20 E HA 0.469 4.820 4.350 0.002 0.000 0.276 20 E C -2.253 174.221 176.600 -0.210 0.000 0.974 20 E CA -1.659 54.626 56.400 -0.191 0.000 0.815 20 E CB 2.465 32.071 29.700 -0.158 0.000 1.119 20 E HN 0.261 nan 8.360 nan 0.000 0.393 21 P HA 0.157 nan 4.420 nan 0.000 0.280 21 P C -0.259 177.036 177.300 -0.008 0.000 1.272 21 P CA -0.306 62.656 63.100 -0.229 0.000 0.819 21 P CB 0.889 32.591 31.700 0.003 0.000 1.122 22 T N -2.315 112.260 114.554 0.036 0.000 2.919 22 T HA 0.237 4.588 4.350 0.002 0.000 0.282 22 T C 1.114 175.971 174.700 0.262 0.000 1.020 22 T CA -0.724 61.445 62.100 0.115 0.000 0.994 22 T CB 0.222 69.135 68.868 0.075 0.000 1.180 22 T HN 0.139 nan 8.240 nan 0.000 0.566 23 L N 0.317 121.688 121.223 0.247 0.000 2.261 23 L HA 0.022 4.363 4.340 0.002 0.000 0.216 23 L C 1.366 178.470 176.870 0.391 0.000 1.114 23 L CA 1.879 56.941 54.840 0.369 0.000 0.777 23 L CB -0.862 41.327 42.059 0.216 0.000 0.910 23 L HN 0.676 nan 8.230 nan 0.000 0.440 24 D N -2.100 118.424 120.400 0.207 0.000 2.349 24 D HA 0.080 4.722 4.640 0.002 0.000 0.214 24 D C 1.679 177.998 176.300 0.031 0.000 1.063 24 D CA 0.976 55.033 54.000 0.095 0.000 0.847 24 D CB 0.478 41.320 40.800 0.070 0.000 0.933 24 D HN 0.536 nan 8.370 nan 0.000 0.513 25 S N -0.563 115.183 115.700 0.078 0.000 2.733 25 S HA -0.005 4.466 4.470 0.002 0.000 0.247 25 S C 1.666 176.352 174.600 0.143 0.000 1.043 25 S CA -0.809 57.435 58.200 0.074 0.000 1.066 25 S CB -0.737 62.505 63.200 0.070 0.000 1.045 25 S HN 0.401 nan 8.310 nan 0.000 0.586 26 W N 1.919 123.305 121.300 0.144 0.000 2.525 26 W HA 0.078 4.739 4.660 0.002 0.000 0.259 26 W C 0.886 177.537 176.519 0.219 0.000 1.253 26 W CA 0.596 58.065 57.345 0.207 0.000 1.262 26 W CB -0.749 28.843 29.460 0.220 0.000 1.122 26 W HN 0.408 nan 8.180 nan 0.000 0.607 27 Q N 0.973 120.546 119.800 -0.378 0.000 2.451 27 Q HA 0.035 4.376 4.340 0.002 0.000 0.206 27 Q C 0.174 176.127 176.000 -0.077 0.000 0.947 27 Q CA 0.592 56.223 55.803 -0.286 0.000 0.937 27 Q CB 0.144 28.529 28.738 -0.588 0.000 1.025 27 Q HN 0.413 nan 8.270 nan 0.000 0.511 28 E N 1.920 122.118 120.200 -0.004 0.000 2.283 28 E HA 0.240 4.592 4.350 0.002 0.000 0.271 28 E C -2.425 174.143 176.600 -0.055 0.000 1.031 28 E CA -2.268 54.133 56.400 0.003 0.000 0.868 28 E CB 0.802 30.538 29.700 0.060 0.000 1.094 28 E HN -0.042 nan 8.360 nan 0.000 0.401 29 P HA 0.116 nan 4.420 nan 0.000 0.281 29 P C -2.167 174.946 177.300 -0.312 0.000 1.249 29 P CA -1.493 61.496 63.100 -0.185 0.000 0.810 29 P CB 0.634 32.261 31.700 -0.120 0.000 1.008 30 P HA 0.014 nan 4.420 nan 0.000 0.255 30 P C 0.966 178.095 177.300 -0.285 0.000 1.248 30 P CA 0.675 63.627 63.100 -0.247 0.000 0.807 30 P CB -0.133 31.495 31.700 -0.120 0.000 1.150 31 H N 1.758 120.815 119.070 -0.022 0.000 2.387 31 H HA -0.093 4.464 4.556 0.002 0.000 0.299 31 H C 1.704 176.984 175.328 -0.080 0.000 1.090 31 H CA 1.692 57.745 56.048 0.007 0.000 1.332 31 H CB -0.995 28.913 29.762 0.243 0.000 1.386 31 H HN 0.348 nan 8.280 nan 0.000 0.516 32 N N 1.984 120.616 118.700 -0.115 0.000 2.381 32 N HA -0.142 4.599 4.740 0.002 0.000 0.182 32 N C 1.684 176.771 175.510 -0.705 0.000 1.025 32 N CA 0.662 53.399 53.050 -0.521 0.000 0.888 32 N CB -0.487 37.481 38.487 -0.865 0.000 0.965 32 N HN 0.277 nan 8.380 nan 0.000 0.438 33 R N -0.820 119.450 120.500 -0.382 0.000 2.081 33 R HA -0.126 4.215 4.340 0.002 0.000 0.235 33 R C 1.845 178.105 176.300 -0.067 0.000 1.131 33 R CA 1.497 57.464 56.100 -0.222 0.000 0.960 33 R CB -0.571 29.640 30.300 -0.149 0.000 0.856 33 R HN 0.438 nan 8.270 nan 0.000 0.436 34 W N 1.386 122.546 121.300 -0.233 0.000 2.441 34 W HA -0.015 4.646 4.660 0.002 0.000 0.302 34 W C 2.253 178.882 176.519 0.182 0.000 1.191 34 W CA 1.367 58.692 57.345 -0.033 0.000 1.327 34 W CB -0.261 29.076 29.460 -0.205 0.000 1.128 34 W HN 0.052 nan 8.180 nan 0.000 0.522 35 A N -0.144 122.732 122.820 0.093 0.000 1.972 35 A HA -0.139 4.182 4.320 0.002 0.000 0.219 35 A C 1.789 179.400 177.584 0.045 0.000 1.169 35 A CA 1.384 53.395 52.037 -0.042 0.000 0.635 35 A CB -1.333 17.938 19.000 0.453 0.000 0.810 35 A HN 0.364 nan 8.150 nan 0.000 0.446 36 F N -0.288 119.646 119.950 -0.027 0.000 2.451 36 F HA 0.057 4.585 4.527 0.002 0.000 0.299 36 F C 2.378 178.063 175.800 -0.192 0.000 1.101 36 F CA 0.187 58.159 58.000 -0.047 0.000 1.436 36 F CB -0.827 38.187 39.000 0.024 0.000 1.074 36 F HN 0.301 nan 8.300 nan 0.000 0.553 37 A N -1.762 120.980 122.820 -0.130 0.000 2.348 37 A HA 0.131 4.453 4.320 0.002 0.000 0.224 37 A C 0.069 177.119 177.584 -0.891 0.000 1.227 37 A CA 0.193 51.973 52.037 -0.429 0.000 0.885 37 A CB -0.674 18.075 19.000 -0.418 0.000 0.933 37 A HN 0.426 nan 8.150 nan 0.000 0.506 38 H N -1.877 116.884 119.070 -0.515 0.000 3.064 38 H HA 0.202 4.759 4.556 0.002 0.000 0.232 38 H C 0.693 175.712 175.328 -0.515 0.000 1.308 38 H CA -0.413 55.280 56.048 -0.592 0.000 1.010 38 H CB 0.321 29.450 29.762 -1.054 0.000 2.408 38 H HN 0.206 nan 8.280 nan 0.000 0.599 39 L N 0.490 121.517 121.223 -0.326 0.000 2.275 39 L HA 0.088 4.429 4.340 0.002 0.000 0.215 39 L C 2.231 178.921 176.870 -0.301 0.000 1.119 39 L CA 1.791 56.403 54.840 -0.379 0.000 0.790 39 L CB -0.501 41.329 42.059 -0.383 0.000 0.919 39 L HN 0.526 nan 8.230 nan 0.000 0.443 40 G N -1.331 107.347 108.800 -0.204 0.000 2.498 40 G HA2 -0.206 3.755 3.960 0.002 0.000 0.219 40 G HA3 -0.206 3.755 3.960 0.002 0.000 0.219 40 G C 1.381 176.225 174.900 -0.094 0.000 1.119 40 G CA 0.502 45.518 45.100 -0.141 0.000 0.766 40 G HN 0.525 nan 8.290 nan 0.000 0.552 41 E N -0.539 119.621 120.200 -0.067 0.000 2.427 41 E HA 0.022 4.373 4.350 0.002 0.000 0.196 41 E C 1.939 178.555 176.600 0.026 0.000 1.028 41 E CA 0.389 56.813 56.400 0.039 0.000 0.864 41 E CB 0.046 29.866 29.700 0.199 0.000 0.813 41 E HN 0.371 nan 8.360 nan 0.000 0.514 42 M N -0.392 119.151 119.600 -0.096 0.000 2.740 42 M HA 0.148 4.629 4.480 0.002 0.000 0.253 42 M C 0.484 176.689 176.300 -0.158 0.000 1.341 42 M CA 0.532 55.750 55.300 -0.138 0.000 1.176 42 M CB 0.768 33.148 32.600 -0.367 0.000 1.310 42 M HN -0.259 nan 8.290 nan 0.000 0.531 43 V N 1.636 121.425 119.914 -0.207 0.000 2.638 43 V HA 0.405 4.526 4.120 0.002 0.000 0.306 43 V C -2.399 173.625 176.094 -0.117 0.000 1.052 43 V CA -1.767 60.442 62.300 -0.151 0.000 0.885 43 V CB 1.902 33.609 31.823 -0.194 0.000 0.999 43 V HN 0.074 nan 8.190 nan 0.000 0.424 44 P HA 0.238 nan 4.420 nan 0.000 0.264 44 P C -0.591 176.658 177.300 -0.084 0.000 1.183 44 P CA 0.473 63.525 63.100 -0.080 0.000 0.763 44 P CB 0.420 32.079 31.700 -0.069 0.000 0.807 45 S N 0.839 116.487 115.700 -0.087 0.000 2.541 45 S HA 0.757 5.228 4.470 0.002 0.000 0.271 45 S C -0.986 173.565 174.600 -0.081 0.000 1.133 45 S CA -0.579 57.568 58.200 -0.087 0.000 0.876 45 S CB 2.044 65.182 63.200 -0.102 0.000 1.105 45 S HN 0.508 nan 8.310 nan 0.000 0.470 46 A N 1.307 124.082 122.820 -0.075 0.000 2.340 46 A HA 0.899 5.220 4.320 0.002 0.000 0.331 46 A C -0.063 177.478 177.584 -0.071 0.000 1.140 46 A CA -0.688 51.306 52.037 -0.071 0.000 0.801 46 A CB 0.892 19.854 19.000 -0.063 0.000 1.234 46 A HN 1.126 nan 8.150 nan 0.000 0.469 47 A N 0.888 123.666 122.820 -0.071 0.000 2.401 47 A HA 0.540 4.862 4.320 0.002 0.000 0.259 47 A C -0.269 177.277 177.584 -0.063 0.000 1.103 47 A CA -0.190 51.805 52.037 -0.069 0.000 0.789 47 A CB 0.073 19.029 19.000 -0.073 0.000 1.035 47 A HN 1.124 nan 8.150 nan 0.000 0.491 48 V N 3.164 123.042 119.914 -0.060 0.000 2.311 48 V HA 0.266 4.387 4.120 0.002 0.000 0.275 48 V C 0.764 176.826 176.094 -0.053 0.000 1.022 48 V CA -0.343 61.925 62.300 -0.054 0.000 0.830 48 V CB 0.974 32.767 31.823 -0.051 0.000 1.012 48 V HN 0.951 nan 8.190 nan 0.000 0.452 49 S N 4.605 120.273 115.700 -0.052 0.000 2.549 49 S HA 0.162 4.633 4.470 0.002 0.000 0.279 49 S C 1.435 176.007 174.600 -0.047 0.000 1.321 49 S CA -0.398 57.769 58.200 -0.054 0.000 1.054 49 S CB 0.388 63.554 63.200 -0.056 0.000 0.899 49 S HN 0.846 nan 8.310 nan 0.000 0.497 50 R N 3.775 124.247 120.500 -0.047 0.000 2.275 50 R HA 0.168 4.509 4.340 0.002 0.000 0.199 50 R C 0.145 176.422 176.300 -0.038 0.000 0.989 50 R CA 0.283 56.359 56.100 -0.040 0.000 1.016 50 R CB -0.014 30.262 30.300 -0.039 0.000 0.918 50 R HN 0.431 nan 8.270 nan 0.000 0.473 51 R N 1.915 122.389 120.500 -0.043 0.000 2.407 51 R HA 0.373 4.714 4.340 0.002 0.000 0.303 51 R C -2.168 174.109 176.300 -0.038 0.000 0.981 51 R CA -2.102 53.973 56.100 -0.041 0.000 0.905 51 R CB 0.867 31.138 30.300 -0.049 0.000 1.099 51 R HN 0.042 nan 8.270 nan 0.000 0.459 58 H N 0.665 119.744 119.070 0.015 0.000 2.806 58 H HA 0.728 5.285 4.556 0.002 0.000 0.367 58 H C -0.122 175.214 175.328 0.014 0.000 1.136 58 H CA 0.180 56.239 56.048 0.019 0.000 1.178 58 H CB 2.023 31.796 29.762 0.018 0.000 1.718 58 H HN 0.250 nan 8.280 nan 0.000 0.540 59 A N 3.476 126.382 122.820 0.143 0.000 2.462 59 A HA 0.262 4.583 4.320 0.002 0.000 0.243 59 A C -0.492 177.188 177.584 0.160 0.000 1.076 59 A CA -0.309 51.777 52.037 0.082 0.000 0.773 59 A CB -0.012 19.017 19.000 0.049 0.000 1.010 59 A HN 0.437 nan 8.150 nan 0.000 0.493 60 L N 2.635 123.862 121.223 0.008 0.000 2.265 60 L HA 0.652 4.993 4.340 0.002 0.000 0.289 60 L C 0.159 177.062 176.870 0.054 0.000 1.033 60 L CA 0.047 54.934 54.840 0.079 0.000 0.814 60 L CB 0.959 43.115 42.059 0.161 0.000 1.203 60 L HN 0.745 nan 8.230 nan 0.000 0.423 61 A N 6.067 128.980 122.820 0.155 0.000 2.323 61 A HA 0.725 5.046 4.320 0.002 0.000 0.305 61 A C -0.187 177.498 177.584 0.168 0.000 1.275 61 A CA -0.628 51.553 52.037 0.241 0.000 0.804 61 A CB 0.379 19.552 19.000 0.288 0.000 1.152 61 A HN 0.742 nan 8.150 nan 0.000 0.487 62 R N 3.466 124.068 120.500 0.169 0.000 2.651 62 R HA 0.271 4.613 4.340 0.002 0.000 0.282 62 R C -0.253 176.127 176.300 0.133 0.000 1.565 62 R CA -0.223 55.956 56.100 0.131 0.000 1.661 62 R CB 0.500 30.876 30.300 0.127 0.000 1.189 62 R HN 0.732 nan 8.270 nan 0.000 0.621 63 L N 0.532 121.828 121.223 0.122 0.000 2.599 63 L HA 0.118 4.459 4.340 0.002 0.000 0.230 63 L C 1.403 178.329 176.870 0.094 0.000 1.141 63 L CA 0.497 55.410 54.840 0.121 0.000 0.877 63 L CB -0.461 41.645 42.059 0.078 0.000 1.009 63 L HN 0.789 nan 8.230 nan 0.000 0.447 64 G N 0.856 109.703 108.800 0.078 0.000 2.583 64 G HA2 -0.435 3.526 3.960 0.002 0.000 0.292 64 G HA3 -0.435 3.526 3.960 0.002 0.000 0.292 64 G C 0.877 175.807 174.900 0.050 0.000 1.203 64 G CA 0.441 45.579 45.100 0.062 0.000 0.987 64 G HN 0.318 nan 8.290 nan 0.000 0.554 65 A N -0.256 122.592 122.820 0.047 0.000 1.975 65 A HA 0.361 4.682 4.320 0.002 0.000 0.215 65 A C 2.549 180.155 177.584 0.037 0.000 1.170 65 A CA 2.172 54.231 52.037 0.037 0.000 0.656 65 A CB -0.510 18.511 19.000 0.034 0.000 0.821 65 A HN 1.616 nan 8.150 nan 0.000 0.449 66 I N -2.912 117.686 120.570 0.047 0.000 2.916 66 I HA -0.016 4.155 4.170 0.002 0.000 0.267 66 I C 2.096 178.230 176.117 0.029 0.000 1.263 66 I CA 1.041 62.367 61.300 0.044 0.000 1.471 66 I CB -0.394 37.647 38.000 0.067 0.000 1.089 66 I HN 0.149 nan 8.210 nan 0.000 0.468 67 A N 1.731 124.568 122.820 0.028 0.000 1.978 67 A HA -0.029 4.292 4.320 0.002 0.000 0.220 67 A C 2.582 180.169 177.584 0.005 0.000 1.170 67 A CA 1.788 53.833 52.037 0.012 0.000 0.636 67 A CB -0.791 18.222 19.000 0.020 0.000 0.810 67 A HN 0.616 nan 8.150 nan 0.000 0.448 68 A N -0.860 121.966 122.820 0.011 0.000 1.930 68 A HA -0.145 4.177 4.320 0.002 0.000 0.217 68 A C 2.066 179.652 177.584 0.003 0.000 1.175 68 A CA 1.665 53.706 52.037 0.008 0.000 0.627 68 A CB -0.381 18.626 19.000 0.012 0.000 0.815 68 A HN 0.600 nan 8.150 nan 0.000 0.443 69 Q N -0.962 118.841 119.800 0.006 0.000 2.331 69 Q HA 0.267 4.608 4.340 0.002 0.000 0.203 69 Q C -0.179 175.817 176.000 -0.007 0.000 0.944 69 Q CA 0.513 56.317 55.803 0.003 0.000 0.892 69 Q CB 0.180 28.924 28.738 0.011 0.000 0.983 69 Q HN 0.565 nan 8.270 nan 0.000 0.482 70 L N 1.839 123.054 121.223 -0.013 0.000 2.495 70 L HA 0.294 4.635 4.340 0.002 0.000 0.248 70 L C -1.849 174.997 176.870 -0.041 0.000 1.229 70 L CA -1.357 53.464 54.840 -0.033 0.000 0.942 70 L CB 1.049 43.082 42.059 -0.044 0.000 1.242 70 L HN -0.040 nan 8.230 nan 0.000 0.484 71 P HA -0.150 nan 4.420 nan 0.000 0.219 71 P C 0.280 177.551 177.300 -0.048 0.000 1.146 71 P CA 1.223 64.304 63.100 -0.032 0.000 0.808 71 P CB 0.423 32.109 31.700 -0.024 0.000 0.779 72 D N -1.158 119.203 120.400 -0.064 0.000 2.424 72 D HA 0.064 4.705 4.640 0.002 0.000 0.220 72 D C 1.615 177.841 176.300 -0.124 0.000 1.150 72 D CA -0.328 53.624 54.000 -0.081 0.000 0.831 72 D CB -0.014 40.743 40.800 -0.071 0.000 0.981 72 D HN 0.022 nan 8.370 nan 0.000 0.500 73 L N 1.475 122.614 121.223 -0.140 0.000 2.012 73 L HA -0.155 4.186 4.340 0.002 0.000 0.210 73 L C 2.120 178.801 176.870 -0.315 0.000 1.073 73 L CA 1.957 56.664 54.840 -0.221 0.000 0.748 73 L CB -0.352 41.582 42.059 -0.209 0.000 0.891 73 L HN -0.014 nan 8.230 nan 0.000 0.431 74 E N -1.137 118.899 120.200 -0.272 0.000 2.077 74 E HA -0.317 4.034 4.350 0.002 0.000 0.193 74 E C 2.222 178.626 176.600 -0.326 0.000 0.989 74 E CA 1.446 57.627 56.400 -0.364 0.000 0.800 74 E CB -0.232 29.361 29.700 -0.179 0.000 0.746 74 E HN 0.704 nan 8.360 nan 0.000 0.452 75 Q N 0.237 119.916 119.800 -0.201 0.000 2.124 75 Q HA -0.196 4.145 4.340 0.002 0.000 0.202 75 Q C 2.146 178.039 176.000 -0.179 0.000 0.977 75 Q CA 1.475 57.183 55.803 -0.158 0.000 0.850 75 Q CB 0.058 28.734 28.738 -0.104 0.000 0.901 75 Q HN 0.209 nan 8.270 nan 0.000 0.429 76 R N -0.194 120.186 120.500 -0.200 0.000 2.115 76 R HA -0.050 4.291 4.340 0.002 0.000 0.230 76 R C 2.366 178.529 176.300 -0.227 0.000 1.111 76 R CA 1.064 57.054 56.100 -0.184 0.000 0.976 76 R CB -0.145 30.046 30.300 -0.182 0.000 0.870 76 R HN 0.307 nan 8.270 nan 0.000 0.445 77 L N 0.569 121.573 121.223 -0.365 0.000 2.056 77 L HA -0.147 4.194 4.340 0.002 0.000 0.207 77 L C 2.139 178.829 176.870 -0.300 0.000 1.078 77 L CA 1.390 55.972 54.840 -0.431 0.000 0.749 77 L CB -0.404 41.167 42.059 -0.813 0.000 0.901 77 L HN 0.219 nan 8.230 nan 0.000 0.433 78 E N 0.034 120.055 120.200 -0.298 0.000 2.085 78 E HA -0.276 4.075 4.350 0.002 0.000 0.194 78 E C 2.204 178.668 176.600 -0.227 0.000 0.994 78 E CA 1.244 57.519 56.400 -0.209 0.000 0.801 78 E CB -0.121 29.481 29.700 -0.163 0.000 0.743 78 E HN 0.547 nan 8.360 nan 0.000 0.453 79 Q N -0.155 119.555 119.800 -0.149 0.000 2.226 79 Q HA -0.092 4.249 4.340 0.002 0.000 0.204 79 Q C 1.518 177.571 176.000 0.087 0.000 0.975 79 Q CA 1.552 57.324 55.803 -0.050 0.000 0.866 79 Q CB 0.037 28.774 28.738 -0.001 0.000 0.915 79 Q HN 0.294 nan 8.270 nan 0.000 0.440 80 T N -4.091 110.491 114.554 0.047 0.000 3.251 80 T HA 0.134 4.485 4.350 0.002 0.000 0.259 80 T C -0.400 174.451 174.700 0.252 0.000 0.998 80 T CA -0.559 61.634 62.100 0.154 0.000 0.905 80 T CB -0.319 68.644 68.868 0.159 0.000 1.067 80 T HN 0.247 nan 8.240 nan 0.000 0.569 81 Y N 0.608 120.899 120.300 -0.015 0.000 3.389 81 Y HA -0.235 4.316 4.550 0.002 0.000 0.213 81 Y C 0.555 176.465 175.900 0.016 0.000 1.272 81 Y CA 0.323 58.423 58.100 0.001 0.000 1.444 81 Y CB -2.716 35.726 38.460 -0.031 0.000 1.445 81 Y HN 0.323 nan 8.280 nan 0.000 0.583 82 T N 0.640 115.240 114.554 0.077 0.000 2.834 82 T HA 0.057 4.408 4.350 0.002 0.000 0.298 82 T C 0.954 175.711 174.700 0.096 0.000 0.966 82 T CA -0.085 62.052 62.100 0.063 0.000 1.141 82 T CB 0.857 69.724 68.868 -0.001 0.000 0.905 82 T HN 0.271 nan 8.240 nan 0.000 0.535 83 D N 1.517 121.890 120.400 -0.046 0.000 2.490 83 D HA 0.279 4.920 4.640 0.002 0.000 0.244 83 D C 0.660 176.747 176.300 -0.354 0.000 0.979 83 D CA 0.343 54.215 54.000 -0.213 0.000 0.924 83 D CB 0.415 41.028 40.800 -0.311 0.000 1.075 83 D HN 0.613 nan 8.370 nan 0.000 0.488 84 A N 0.159 122.788 122.820 -0.317 0.000 2.455 84 A HA 0.582 4.903 4.320 0.002 0.000 0.300 84 A C -1.837 175.727 177.584 -0.033 0.000 1.040 84 A CA -0.568 51.368 52.037 -0.167 0.000 0.697 84 A CB 1.572 20.537 19.000 -0.059 0.000 1.265 84 A HN 0.054 nan 8.150 nan 0.000 0.407 85 F N 2.109 121.907 119.950 -0.253 0.000 2.574 85 F HA 0.765 5.293 4.527 0.002 0.000 0.313 85 F C -1.584 174.115 175.800 -0.168 0.000 1.130 85 F CA -0.793 57.121 58.000 -0.143 0.000 0.936 85 F CB 1.629 40.590 39.000 -0.066 0.000 1.219 85 F HN 0.675 nan 8.300 nan 0.000 0.445 86 L N 6.796 127.593 121.223 -0.710 0.000 2.493 86 L HA 0.760 5.101 4.340 0.002 0.000 0.265 86 L C -1.889 174.654 176.870 -0.545 0.000 0.954 86 L CA -0.655 53.899 54.840 -0.476 0.000 0.844 86 L CB 2.147 44.123 42.059 -0.138 0.000 1.302 86 L HN 0.471 nan 8.230 nan 0.000 0.405 87 V N 5.220 124.911 119.914 -0.372 0.000 2.409 87 V HA 0.434 4.555 4.120 0.002 0.000 0.291 87 V C -0.521 175.527 176.094 -0.076 0.000 1.020 87 V CA -0.472 61.697 62.300 -0.219 0.000 0.848 87 V CB 1.595 33.331 31.823 -0.144 0.000 0.990 87 V HN 0.556 nan 8.190 nan 0.000 0.430 88 L N 6.115 127.316 121.223 -0.037 0.000 2.276 88 L HA 0.571 4.912 4.340 0.002 0.000 0.286 88 L C 0.047 176.925 176.870 0.014 0.000 1.024 88 L CA -0.079 54.760 54.840 -0.001 0.000 0.826 88 L CB 0.956 43.020 42.059 0.009 0.000 1.211 88 L HN 0.671 nan 8.230 nan 0.000 0.422 89 R N 4.713 125.224 120.500 0.017 0.000 2.215 89 R HA 0.589 4.930 4.340 0.002 0.000 0.336 89 R C 0.693 177.004 176.300 0.018 0.000 0.996 89 R CA 0.527 56.641 56.100 0.023 0.000 0.847 89 R CB 0.603 30.919 30.300 0.026 0.000 1.127 89 R HN 0.935 nan 8.270 nan 0.000 0.465 90 G N 2.687 111.497 108.800 0.016 0.000 2.596 90 G HA2 -0.452 3.509 3.960 0.002 0.000 0.304 90 G HA3 -0.452 3.509 3.960 0.002 0.000 0.304 90 G C 0.586 175.491 174.900 0.009 0.000 1.189 90 G CA 0.778 45.884 45.100 0.011 0.000 0.986 90 G HN 0.698 nan 8.290 nan 0.000 0.548 91 T N -1.116 113.443 114.554 0.008 0.000 3.054 91 T HA 0.498 4.849 4.350 0.002 0.000 0.255 91 T C 0.543 175.249 174.700 0.010 0.000 1.035 91 T CA 1.213 63.317 62.100 0.007 0.000 0.941 91 T CB 0.615 69.485 68.868 0.003 0.000 1.026 91 T HN 0.758 nan 8.240 nan 0.000 0.533 92 E N 1.448 121.657 120.200 0.014 0.000 2.166 92 E HA 0.446 4.797 4.350 0.002 0.000 0.275 92 E C -1.032 175.580 176.600 0.020 0.000 0.941 92 E CA -0.794 55.617 56.400 0.018 0.000 0.784 92 E CB 1.814 31.525 29.700 0.019 0.000 1.115 92 E HN 0.054 nan 8.360 nan 0.000 0.399 93 V N 5.996 125.926 119.914 0.026 0.000 2.415 93 V HA -0.000 4.121 4.120 0.002 0.000 0.267 93 V C 1.129 177.244 176.094 0.034 0.000 1.042 93 V CA 0.085 62.403 62.300 0.029 0.000 1.000 93 V CB 0.624 32.475 31.823 0.046 0.000 1.015 93 V HN 0.686 nan 8.190 nan 0.000 0.478 94 V N 1.960 121.891 119.914 0.028 0.000 3.643 94 V HA 0.768 4.889 4.120 0.002 0.000 0.280 94 V C 0.598 176.725 176.094 0.055 0.000 1.351 94 V CA 0.593 62.916 62.300 0.039 0.000 1.073 94 V CB 0.083 31.928 31.823 0.036 0.000 0.863 94 V HN 0.876 nan 8.190 nan 0.000 0.436 95 A N -0.151 122.700 122.820 0.052 0.000 2.577 95 A HA 0.801 5.122 4.320 0.002 0.000 0.297 95 A C -1.001 176.630 177.584 0.078 0.000 1.060 95 A CA -0.514 51.581 52.037 0.098 0.000 0.697 95 A CB 1.540 20.636 19.000 0.159 0.000 1.281 95 A HN 0.393 nan 8.150 nan 0.000 0.402 96 E N -0.068 120.214 120.200 0.137 0.000 2.356 96 E HA 0.554 4.905 4.350 0.002 0.000 0.275 96 E C -2.080 174.595 176.600 0.126 0.000 0.904 96 E CA -0.575 55.867 56.400 0.071 0.000 0.757 96 E CB 2.792 32.568 29.700 0.126 0.000 1.232 96 E HN 0.674 nan 8.360 nan 0.000 0.442 97 Y N 1.618 121.769 120.300 -0.247 0.000 2.479 97 Y HA 0.463 5.014 4.550 0.002 0.000 0.338 97 Y C -2.184 173.371 175.900 -0.576 0.000 1.055 97 Y CA -0.613 57.355 58.100 -0.220 0.000 1.023 97 Y CB 1.284 39.707 38.460 -0.062 0.000 1.287 97 Y HN 0.513 nan 8.280 nan 0.000 0.447 98 Y N 4.591 124.509 120.300 -0.637 0.000 2.421 98 Y HA 0.504 5.055 4.550 0.002 0.000 0.339 98 Y C -0.299 175.205 175.900 -0.661 0.000 0.996 98 Y CA -1.314 56.539 58.100 -0.411 0.000 1.046 98 Y CB 1.586 40.050 38.460 0.008 0.000 1.226 98 Y HN 0.693 nan 8.280 nan 0.000 0.445 99 R N 1.511 121.870 120.500 -0.235 0.000 2.774 99 R HA 0.680 5.021 4.340 0.002 0.000 0.269 99 R C -0.078 176.241 176.300 0.031 0.000 1.068 99 R CA -0.408 55.638 56.100 -0.089 0.000 1.180 99 R CB 0.420 30.768 30.300 0.080 0.000 1.077 99 R HN 0.719 nan 8.270 nan 0.000 0.513 100 A N 0.967 123.802 122.820 0.025 0.000 2.546 100 A HA 0.365 4.686 4.320 0.002 0.000 0.243 100 A C 1.425 179.058 177.584 0.081 0.000 1.063 100 A CA 0.559 52.620 52.037 0.040 0.000 0.757 100 A CB -0.796 18.195 19.000 -0.015 0.000 0.991 100 A HN 1.305 nan 8.150 nan 0.000 0.503 101 G N 0.778 109.628 108.800 0.083 0.000 2.195 101 G HA2 -0.220 3.741 3.960 0.002 0.000 0.246 101 G HA3 -0.220 3.741 3.960 0.002 0.000 0.246 101 G C 0.000 174.975 174.900 0.125 0.000 0.984 101 G CA 0.403 45.551 45.100 0.080 0.000 0.633 101 G HN 1.437 nan 8.290 nan 0.000 0.525 102 F N 2.270 122.230 119.950 0.017 0.000 2.427 102 F HA 0.740 5.268 4.527 0.002 0.000 0.348 102 F C 0.390 176.180 175.800 -0.017 0.000 1.125 102 F CA -0.280 57.739 58.000 0.031 0.000 0.989 102 F CB 1.218 40.280 39.000 0.102 0.000 1.165 102 F HN 0.401 nan 8.300 nan 0.000 0.442 103 A N 7.216 129.805 122.820 -0.385 0.000 2.322 103 A HA 0.465 4.786 4.320 0.002 0.000 0.269 103 A C -1.918 175.369 177.584 -0.495 0.000 1.094 103 A CA -1.394 50.440 52.037 -0.338 0.000 0.807 103 A CB 0.226 19.044 19.000 -0.304 0.000 1.047 103 A HN 0.656 nan 8.150 nan 0.000 0.487 104 P HA -0.159 nan 4.420 nan 0.000 0.217 104 P C 0.426 177.480 177.300 -0.409 0.000 1.148 104 P CA 1.764 64.261 63.100 -1.004 0.000 0.828 104 P CB 0.091 31.373 31.700 -0.697 0.000 0.783 105 D N -2.743 117.484 120.400 -0.287 0.000 2.368 105 D HA 0.026 4.667 4.640 0.002 0.000 0.218 105 D C -0.068 176.122 176.300 -0.183 0.000 1.112 105 D CA -0.079 53.829 54.000 -0.155 0.000 0.834 105 D CB -0.630 40.102 40.800 -0.114 0.000 0.953 105 D HN 0.024 nan 8.370 nan 0.000 0.505 106 D N 1.225 121.398 120.400 -0.378 0.000 2.362 106 D HA 0.193 4.834 4.640 0.002 0.000 0.242 106 D C 0.515 176.707 176.300 -0.181 0.000 1.132 106 D CA 0.044 53.741 54.000 -0.505 0.000 0.907 106 D CB 1.137 41.186 40.800 -1.253 0.000 1.195 106 D HN 0.045 nan 8.370 nan 0.000 0.429 107 R N 0.912 121.384 120.500 -0.047 0.000 2.536 107 R HA 0.391 4.732 4.340 0.002 0.000 0.279 107 R C 0.011 176.505 176.300 0.324 0.000 1.001 107 R CA -0.646 55.548 56.100 0.156 0.000 1.027 107 R CB 1.408 31.746 30.300 0.063 0.000 1.096 107 R HN 0.476 nan 8.270 nan 0.000 0.502 108 H N 1.894 121.118 119.070 0.256 0.000 2.771 108 H HA 0.185 4.743 4.556 0.002 0.000 0.361 108 H C -1.145 174.243 175.328 0.100 0.000 1.108 108 H CA -0.946 55.236 56.048 0.224 0.000 1.201 108 H CB 1.646 31.531 29.762 0.204 0.000 1.681 108 H HN 0.312 nan 8.280 nan 0.000 0.534 109 L N 4.788 126.025 121.223 0.023 0.000 2.525 109 L HA -0.015 4.326 4.340 0.002 0.000 0.278 109 L C 0.348 177.374 176.870 0.261 0.000 1.218 109 L CA 0.544 55.437 54.840 0.088 0.000 0.878 109 L CB 0.139 42.160 42.059 -0.064 0.000 1.127 109 L HN 0.719 nan 8.230 nan 0.000 0.492 110 L N 4.799 126.136 121.223 0.190 0.000 2.529 110 L HA 0.040 4.381 4.340 0.002 0.000 0.223 110 L C 1.249 178.212 176.870 0.155 0.000 1.113 110 L CA -0.286 54.653 54.840 0.164 0.000 0.861 110 L CB -0.165 41.968 42.059 0.124 0.000 1.012 110 L HN 0.746 nan 8.230 nan 0.000 0.461 111 M N -0.609 119.113 119.600 0.203 0.000 7.319 111 M HA -0.375 4.106 4.480 0.002 0.000 0.191 111 M C 1.531 177.928 176.300 0.162 0.000 0.480 111 M CA 1.721 57.162 55.300 0.236 0.000 1.311 111 M CB -1.654 31.074 32.600 0.213 0.000 0.421 111 M HN 0.069 nan 8.290 nan 0.000 0.563 112 S N 0.255 116.056 115.700 0.168 0.000 2.603 112 S HA 0.085 4.556 4.470 0.002 0.000 0.229 112 S C 1.643 176.328 174.600 0.141 0.000 0.972 112 S CA 0.762 59.063 58.200 0.168 0.000 0.935 112 S CB -0.283 63.116 63.200 0.332 0.000 0.769 112 S HN 0.422 nan 8.310 nan 0.000 0.536 113 V N 1.599 121.577 119.914 0.106 0.000 2.594 113 V HA -0.166 3.955 4.120 0.002 0.000 0.253 113 V C 2.206 178.300 176.094 -0.000 0.000 1.069 113 V CA 1.575 63.901 62.300 0.043 0.000 1.082 113 V CB -0.842 31.017 31.823 0.060 0.000 0.680 113 V HN 0.466 nan 8.190 nan 0.000 0.469 114 S N -0.288 115.434 115.700 0.035 0.000 2.402 114 S HA -0.267 4.204 4.470 0.002 0.000 0.233 114 S C 1.946 176.535 174.600 -0.017 0.000 1.030 114 S CA 1.550 59.762 58.200 0.020 0.000 1.003 114 S CB -0.283 62.928 63.200 0.019 0.000 0.813 114 S HN 0.650 nan 8.310 nan 0.000 0.477 115 K N 1.083 121.463 120.400 -0.033 0.000 2.097 115 K HA 0.004 4.325 4.320 0.002 0.000 0.206 115 K C 2.338 178.869 176.600 -0.115 0.000 1.049 115 K CA 1.410 57.669 56.287 -0.047 0.000 0.933 115 K CB -0.232 32.287 32.500 0.031 0.000 0.717 115 K HN 0.205 nan 8.250 nan 0.000 0.442 116 S N 1.132 116.669 115.700 -0.271 0.000 2.402 116 S HA -0.061 4.410 4.470 0.002 0.000 0.229 116 S C 1.771 176.223 174.600 -0.246 0.000 1.021 116 S CA 0.833 58.663 58.200 -0.618 0.000 0.974 116 S CB -0.089 62.328 63.200 -1.306 0.000 0.800 116 S HN 0.073 nan 8.310 nan 0.000 0.484 117 L N 0.869 122.048 121.223 -0.073 0.000 2.056 117 L HA -0.027 4.315 4.340 0.002 0.000 0.207 117 L C 2.601 179.554 176.870 0.139 0.000 1.078 117 L CA 1.102 55.996 54.840 0.091 0.000 0.749 117 L CB -1.206 40.930 42.059 0.129 0.000 0.901 117 L HN 0.447 nan 8.230 nan 0.000 0.433 118 C N -0.194 119.182 119.300 0.127 0.000 2.429 118 C HA -0.074 4.387 4.460 0.002 0.000 0.277 118 C C 2.942 178.014 174.990 0.136 0.000 1.262 118 C CA 0.867 59.993 59.018 0.179 0.000 1.733 118 C CB -1.342 26.427 27.740 0.048 0.000 2.010 118 C HN 0.639 nan 8.230 nan 0.000 0.483 119 G N -0.431 108.441 108.800 0.121 0.000 2.450 119 G HA2 -0.180 3.781 3.960 0.002 0.000 0.220 119 G HA3 -0.180 3.781 3.960 0.002 0.000 0.220 119 G C 1.749 176.815 174.900 0.277 0.000 1.130 119 G CA 1.649 46.890 45.100 0.235 0.000 0.760 119 G HN 0.569 nan 8.290 nan 0.000 0.557 120 T N 0.702 115.395 114.554 0.232 0.000 2.777 120 T HA -0.078 4.273 4.350 0.002 0.000 0.266 120 T C 2.564 177.235 174.700 -0.048 0.000 1.040 120 T CA 1.096 63.283 62.100 0.146 0.000 1.141 120 T CB -0.173 68.833 68.868 0.231 0.000 0.868 120 T HN 0.085 nan 8.240 nan 0.000 0.444 121 V N 1.369 121.298 119.914 0.025 0.000 2.343 121 V HA -0.146 3.975 4.120 0.002 0.000 0.247 121 V C 2.665 178.646 176.094 -0.189 0.000 1.051 121 V CA 1.254 63.534 62.300 -0.033 0.000 1.036 121 V CB -0.746 31.125 31.823 0.079 0.000 0.654 121 V HN 0.313 nan 8.190 nan 0.000 0.451 122 V N 1.066 120.898 119.914 -0.137 0.000 2.295 122 V HA -0.208 3.913 4.120 0.002 0.000 0.246 122 V C 2.680 178.498 176.094 -0.460 0.000 1.049 122 V CA 2.254 64.431 62.300 -0.205 0.000 1.024 122 V CB -1.497 30.305 31.823 -0.035 0.000 0.648 122 V HN 0.612 nan 8.190 nan 0.000 0.447 123 G N -0.453 107.829 108.800 -0.863 0.000 2.442 123 G HA2 -0.227 3.734 3.960 0.002 0.000 0.219 123 G HA3 -0.227 3.734 3.960 0.002 0.000 0.219 123 G C 1.748 176.132 174.900 -0.859 0.000 1.141 123 G CA 1.095 45.136 45.100 -1.766 0.000 0.763 123 G HN 0.624 nan 8.290 nan 0.000 0.554 124 A N 0.489 122.997 122.820 -0.519 0.000 1.902 124 A HA 0.114 4.435 4.320 0.002 0.000 0.217 124 A C 2.397 179.834 177.584 -0.245 0.000 1.181 124 A CA 1.231 53.108 52.037 -0.267 0.000 0.623 124 A CB -0.337 18.613 19.000 -0.083 0.000 0.818 124 A HN 0.364 nan 8.150 nan 0.000 0.443 125 L N -0.664 120.349 121.223 -0.350 0.000 2.240 125 L HA -0.085 4.256 4.340 0.002 0.000 0.211 125 L C 2.386 179.142 176.870 -0.191 0.000 1.106 125 L CA 0.437 55.102 54.840 -0.293 0.000 0.793 125 L CB -0.338 41.502 42.059 -0.366 0.000 0.927 125 L HN 0.221 nan 8.230 nan 0.000 0.446 126 V N -0.070 119.713 119.914 -0.219 0.000 2.358 126 V HA -0.300 3.821 4.120 0.002 0.000 0.246 126 V C 2.201 178.257 176.094 -0.063 0.000 1.047 126 V CA 2.088 64.322 62.300 -0.109 0.000 1.035 126 V CB -0.428 31.353 31.823 -0.070 0.000 0.658 126 V HN 0.459 nan 8.190 nan 0.000 0.452 127 D N 0.227 120.564 120.400 -0.106 0.000 2.178 127 D HA -0.185 4.456 4.640 0.002 0.000 0.201 127 D C 2.099 178.390 176.300 -0.016 0.000 0.980 127 D CA 1.299 55.273 54.000 -0.044 0.000 0.842 127 D CB -0.064 40.697 40.800 -0.064 0.000 0.948 127 D HN 0.545 nan 8.370 nan 0.000 0.472 128 E N -1.168 119.016 120.200 -0.026 0.000 2.435 128 E HA 0.146 4.497 4.350 0.002 0.000 0.195 128 E C 1.246 177.850 176.600 0.007 0.000 1.029 128 E CA 0.469 56.872 56.400 0.005 0.000 0.865 128 E CB 0.189 29.904 29.700 0.025 0.000 0.833 128 E HN 0.391 nan 8.360 nan 0.000 0.510 129 G N 1.834 110.633 108.800 -0.001 0.000 2.136 129 G HA2 -0.328 3.633 3.960 0.002 0.000 0.242 129 G HA3 -0.328 3.633 3.960 0.002 0.000 0.242 129 G C 0.834 175.746 174.900 0.021 0.000 0.989 129 G CA 0.379 45.489 45.100 0.017 0.000 0.682 129 G HN 0.239 nan 8.290 nan 0.000 0.522 130 R N -0.808 119.687 120.500 -0.008 0.000 2.254 130 R HA 0.399 4.740 4.340 0.002 0.000 0.195 130 R C 0.850 177.129 176.300 -0.035 0.000 0.957 130 R CA 0.530 56.626 56.100 -0.006 0.000 1.024 130 R CB 0.557 30.836 30.300 -0.034 0.000 0.952 130 R HN 0.476 nan 8.270 nan 0.000 0.484 131 I N 0.962 121.482 120.570 -0.083 0.000 2.498 131 I HA 0.143 4.314 4.170 0.002 0.000 0.290 131 I C -1.086 175.047 176.117 0.027 0.000 1.032 131 I CA -0.968 60.245 61.300 -0.145 0.000 1.073 131 I CB 2.288 40.111 38.000 -0.296 0.000 1.251 131 I HN -0.184 nan 8.210 nan 0.000 0.426 132 D N 8.364 128.867 120.400 0.170 0.000 2.441 132 D HA 0.328 4.969 4.640 0.002 0.000 0.231 132 D C -1.905 174.497 176.300 0.171 0.000 1.073 132 D CA -2.320 51.776 54.000 0.159 0.000 0.850 132 D CB 1.996 42.892 40.800 0.159 0.000 1.062 132 D HN 0.114 nan 8.370 nan 0.000 0.524 133 P HA -0.103 nan 4.420 nan 0.000 0.220 133 P C 0.847 178.216 177.300 0.116 0.000 1.144 133 P CA 0.954 64.134 63.100 0.134 0.000 0.800 133 P CB 0.281 32.068 31.700 0.146 0.000 0.772 134 A N -1.656 121.224 122.820 0.100 0.000 2.119 134 A HA -0.070 4.251 4.320 0.002 0.000 0.216 134 A C 1.328 178.952 177.584 0.067 0.000 1.152 134 A CA 0.725 52.805 52.037 0.071 0.000 0.708 134 A CB -0.582 18.450 19.000 0.053 0.000 0.805 134 A HN 0.120 nan 8.150 nan 0.000 0.460 135 Q N 0.549 120.408 119.800 0.097 0.000 2.354 135 Q HA 0.256 4.597 4.340 0.002 0.000 0.244 135 Q C -2.459 173.578 176.000 0.062 0.000 0.969 135 Q CA -2.083 53.754 55.803 0.056 0.000 0.885 135 Q CB 0.425 29.188 28.738 0.042 0.000 1.241 135 Q HN 0.269 nan 8.270 nan 0.000 0.461 136 P HA 0.009 nan 4.420 nan 0.000 0.272 136 P C 0.793 178.105 177.300 0.021 0.000 1.223 136 P CA -0.073 63.029 63.100 0.004 0.000 0.784 136 P CB 0.763 32.442 31.700 -0.035 0.000 0.923 137 V N 2.242 122.188 119.914 0.053 0.000 2.317 137 V HA -0.279 3.842 4.120 0.002 0.000 0.251 137 V C 2.540 178.616 176.094 -0.030 0.000 1.065 137 V CA 3.070 65.402 62.300 0.053 0.000 1.049 137 V CB -2.063 29.778 31.823 0.030 0.000 0.651 137 V HN 0.737 nan 8.190 nan 0.000 0.450 138 T N -1.742 112.767 114.554 -0.076 0.000 3.051 138 T HA -0.167 4.184 4.350 0.002 0.000 0.269 138 T C 1.603 176.194 174.700 -0.181 0.000 1.127 138 T CA 1.285 63.307 62.100 -0.129 0.000 1.107 138 T CB -0.259 68.548 68.868 -0.101 0.000 0.898 138 T HN 0.519 nan 8.240 nan 0.000 0.517 139 E N 0.810 120.857 120.200 -0.255 0.000 2.153 139 E HA -0.122 4.229 4.350 0.002 0.000 0.194 139 E C 1.097 177.371 176.600 -0.544 0.000 0.988 139 E CA 1.339 57.470 56.400 -0.449 0.000 0.811 139 E CB -0.396 28.907 29.700 -0.663 0.000 0.746 139 E HN 0.778 nan 8.360 nan 0.000 0.466 140 Y N -1.512 118.719 120.300 -0.116 0.000 2.558 140 Y HA 0.313 4.864 4.550 0.002 0.000 0.273 140 Y C 0.446 176.218 175.900 -0.213 0.000 1.100 140 Y CA -0.001 58.020 58.100 -0.130 0.000 1.276 140 Y CB 0.999 39.392 38.460 -0.111 0.000 1.196 140 Y HN -0.187 nan 8.280 nan 0.000 0.527 141 V N 2.460 122.270 119.914 -0.173 0.000 2.313 141 V HA 0.221 4.342 4.120 0.002 0.000 0.262 141 V C -2.063 173.834 176.094 -0.328 0.000 1.011 141 V CA -1.377 60.674 62.300 -0.415 0.000 0.858 141 V CB 1.085 32.383 31.823 -0.876 0.000 1.104 141 V HN 0.001 nan 8.190 nan 0.000 0.456 142 P HA -0.128 nan 4.420 nan 0.000 0.219 142 P C 1.225 178.437 177.300 -0.147 0.000 1.146 142 P CA 1.049 64.054 63.100 -0.158 0.000 0.808 142 P CB 0.429 32.056 31.700 -0.121 0.000 0.779 143 E N -1.092 119.005 120.200 -0.172 0.000 2.478 143 E HA -0.027 4.325 4.350 0.002 0.000 0.198 143 E C 1.451 177.994 176.600 -0.096 0.000 1.046 143 E CA 0.442 56.785 56.400 -0.094 0.000 0.870 143 E CB -0.795 28.905 29.700 0.000 0.000 0.818 143 E HN 0.275 nan 8.360 nan 0.000 0.527 144 L N 0.197 121.301 121.223 -0.200 0.000 2.591 144 L HA 0.209 4.550 4.340 0.002 0.000 0.228 144 L C 0.700 177.543 176.870 -0.046 0.000 1.133 144 L CA -0.558 54.210 54.840 -0.120 0.000 0.880 144 L CB -0.174 41.765 42.059 -0.200 0.000 1.033 144 L HN 0.026 nan 8.230 nan 0.000 0.450 145 A N -0.082 122.702 122.820 -0.060 0.000 2.561 145 A HA 0.340 4.661 4.320 0.002 0.000 0.234 145 A C 1.486 179.056 177.584 -0.023 0.000 1.055 145 A CA 0.798 52.810 52.037 -0.041 0.000 0.756 145 A CB -0.187 18.785 19.000 -0.047 0.000 0.986 145 A HN 0.584 nan 8.150 nan 0.000 0.505 146 G N 0.804 109.591 108.800 -0.023 0.000 2.199 146 G HA2 -0.173 3.788 3.960 0.002 0.000 0.254 146 G HA3 -0.173 3.788 3.960 0.002 0.000 0.254 146 G C 0.613 175.501 174.900 -0.021 0.000 0.982 146 G CA 1.139 46.226 45.100 -0.021 0.000 0.632 146 G HN 2.222 nan 8.290 nan 0.000 0.529 147 S N -1.496 114.197 115.700 -0.011 0.000 2.767 147 S HA 0.680 5.151 4.470 0.002 0.000 0.300 147 S C 1.267 175.830 174.600 -0.062 0.000 1.123 147 S CA 0.318 58.510 58.200 -0.014 0.000 0.992 147 S CB 1.844 65.078 63.200 0.056 0.000 1.138 147 S HN 1.213 nan 8.310 nan 0.000 0.550 148 V N 0.423 120.249 119.914 -0.146 0.000 2.867 148 V HA -0.057 4.064 4.120 0.002 0.000 0.260 148 V C 0.776 176.644 176.094 -0.377 0.000 1.099 148 V CA 1.434 63.562 62.300 -0.286 0.000 1.122 148 V CB -1.188 30.389 31.823 -0.411 0.000 0.708 148 V HN 0.822 nan 8.190 nan 0.000 0.490 149 Y N -0.510 119.751 120.300 -0.065 0.000 2.461 149 Y HA 0.301 4.852 4.550 0.002 0.000 0.277 149 Y C 0.833 176.690 175.900 -0.071 0.000 1.182 149 Y CA -0.353 57.707 58.100 -0.067 0.000 1.276 149 Y CB 0.030 38.445 38.460 -0.076 0.000 1.087 149 Y HN 0.238 nan 8.280 nan 0.000 0.519 150 D N 0.061 120.472 120.400 0.017 0.000 2.411 150 D HA 0.398 5.039 4.640 0.002 0.000 0.225 150 D C 0.970 177.255 176.300 -0.025 0.000 1.156 150 D CA 0.927 54.921 54.000 -0.010 0.000 0.874 150 D CB 0.555 41.340 40.800 -0.025 0.000 1.034 150 D HN 0.459 nan 8.370 nan 0.000 0.502 151 G N 4.721 113.511 108.800 -0.016 0.000 3.131 151 G HA2 -0.180 3.782 3.960 0.002 0.000 0.198 151 G HA3 -0.180 3.782 3.960 0.002 0.000 0.198 151 G C -1.961 172.936 174.900 -0.006 0.000 1.435 151 G CA -0.515 44.573 45.100 -0.020 0.000 1.016 151 G HN 0.539 nan 8.290 nan 0.000 0.499 152 P HA 0.430 nan 4.420 nan 0.000 0.268 152 P C 0.403 177.731 177.300 0.048 0.000 1.208 152 P CA 0.670 63.783 63.100 0.022 0.000 0.777 152 P CB 1.070 32.784 31.700 0.024 0.000 0.875 153 S N 0.244 115.974 115.700 0.051 0.000 2.632 153 S HA 0.152 4.623 4.470 0.002 0.000 0.267 153 S C 1.250 175.905 174.600 0.092 0.000 1.276 153 S CA -0.693 57.547 58.200 0.067 0.000 0.998 153 S CB 0.436 63.671 63.200 0.059 0.000 0.953 153 S HN 0.150 nan 8.310 nan 0.000 0.547 154 V N 1.170 121.152 119.914 0.112 0.000 2.407 154 V HA -0.133 3.988 4.120 0.002 0.000 0.248 154 V C 2.332 178.489 176.094 0.105 0.000 1.055 154 V CA 1.824 64.190 62.300 0.111 0.000 1.049 154 V CB -1.098 30.798 31.823 0.122 0.000 0.662 154 V HN 0.821 nan 8.190 nan 0.000 0.455 155 L N -0.002 121.281 121.223 0.101 0.000 2.083 155 L HA -0.184 4.157 4.340 0.002 0.000 0.209 155 L C 2.408 179.328 176.870 0.084 0.000 1.083 155 L CA 1.867 56.762 54.840 0.092 0.000 0.752 155 L CB -0.709 41.393 42.059 0.071 0.000 0.899 155 L HN 0.345 nan 8.230 nan 0.000 0.433 156 Q N -1.436 118.410 119.800 0.077 0.000 2.224 156 Q HA -0.142 4.199 4.340 0.002 0.000 0.203 156 Q C 2.123 178.174 176.000 0.085 0.000 0.970 156 Q CA 1.543 57.389 55.803 0.071 0.000 0.865 156 Q CB -0.078 28.691 28.738 0.051 0.000 0.922 156 Q HN 0.470 nan 8.270 nan 0.000 0.445 157 V N 0.778 120.755 119.914 0.105 0.000 2.323 157 V HA -0.239 3.882 4.120 0.002 0.000 0.244 157 V C 2.135 178.296 176.094 0.112 0.000 1.041 157 V CA 1.365 63.735 62.300 0.117 0.000 1.025 157 V CB -0.453 31.434 31.823 0.107 0.000 0.656 157 V HN 0.339 nan 8.190 nan 0.000 0.451 158 L N 0.014 121.311 121.223 0.124 0.000 2.042 158 L HA -0.207 4.134 4.340 0.002 0.000 0.210 158 L C 1.921 178.915 176.870 0.207 0.000 1.076 158 L CA 1.583 56.517 54.840 0.155 0.000 0.749 158 L CB -0.472 41.679 42.059 0.155 0.000 0.893 158 L HN 0.362 nan 8.230 nan 0.000 0.432 159 D N -1.066 119.444 120.400 0.184 0.000 2.339 159 D HA 0.076 4.717 4.640 0.002 0.000 0.217 159 D C 0.798 177.254 176.300 0.261 0.000 1.050 159 D CA 0.176 54.334 54.000 0.262 0.000 0.856 159 D CB 0.325 41.217 40.800 0.154 0.000 0.922 159 D HN 0.132 nan 8.370 nan 0.000 0.518 160 M N 0.205 119.880 119.600 0.124 0.000 2.253 160 M HA -0.267 4.214 4.480 0.002 0.000 0.195 160 M C -0.513 175.745 176.300 -0.071 0.000 0.512 160 M CA 0.667 55.931 55.300 -0.059 0.000 0.442 160 M CB -1.825 30.597 32.600 -0.296 0.000 1.189 160 M HN 0.107 nan 8.290 nan 0.000 0.923 161 Q N 0.508 120.311 119.800 0.005 0.000 2.354 161 Q HA 0.551 4.892 4.340 0.002 0.000 0.372 161 Q C -0.447 175.533 176.000 -0.032 0.000 0.923 161 Q CA -0.023 55.785 55.803 0.009 0.000 1.123 161 Q CB 0.770 29.545 28.738 0.062 0.000 1.298 161 Q HN 0.598 nan 8.270 nan 0.000 0.419 162 I N -0.037 120.481 120.570 -0.088 0.000 2.436 162 I HA 0.233 4.404 4.170 0.002 0.000 0.289 162 I C -0.070 175.958 176.117 -0.150 0.000 1.010 162 I CA -0.815 60.414 61.300 -0.117 0.000 1.098 162 I CB 2.172 40.078 38.000 -0.157 0.000 1.266 162 I HN -0.020 nan 8.210 nan 0.000 0.434 163 S N 7.008 122.634 115.700 -0.124 0.000 2.481 163 S HA 0.588 5.059 4.470 0.002 0.000 0.276 163 S C -0.516 174.003 174.600 -0.136 0.000 1.247 163 S CA -0.147 57.987 58.200 -0.110 0.000 1.053 163 S CB -0.090 63.067 63.200 -0.072 0.000 0.925 163 S HN 0.397 nan 8.310 nan 0.000 0.491 164 I N 3.465 123.962 120.570 -0.121 0.000 2.582 164 I HA 0.260 4.431 4.170 0.002 0.000 0.292 164 I C -0.694 175.413 176.117 -0.016 0.000 1.066 164 I CA -0.918 60.317 61.300 -0.109 0.000 1.053 164 I CB 2.058 39.970 38.000 -0.147 0.000 1.241 164 I HN 0.457 nan 8.210 nan 0.000 0.421 165 D N 5.544 125.940 120.400 -0.007 0.000 2.416 165 D HA 0.018 4.659 4.640 0.002 0.000 0.240 165 D C -1.308 175.053 176.300 0.101 0.000 1.250 165 D CA 0.585 54.602 54.000 0.029 0.000 0.967 165 D CB -0.101 40.696 40.800 -0.006 0.000 1.059 165 D HN 0.369 nan 8.370 nan 0.000 0.512 166 Y N 3.887 124.177 120.300 -0.017 0.000 2.535 166 Y HA 0.208 4.759 4.550 0.002 0.000 0.341 166 Y C -0.470 175.456 175.900 0.045 0.000 1.041 166 Y CA -1.208 56.904 58.100 0.020 0.000 1.307 166 Y CB 0.390 38.858 38.460 0.013 0.000 1.095 166 Y HN 0.152 nan 8.280 nan 0.000 0.534 167 N N 3.441 122.129 118.700 -0.021 0.000 2.452 167 N HA -0.021 4.720 4.740 0.002 0.000 0.266 167 N C 0.432 175.959 175.510 0.029 0.000 1.209 167 N CA 0.644 53.702 53.050 0.013 0.000 0.929 167 N CB 0.882 39.354 38.487 -0.024 0.000 1.063 167 N HN 0.671 nan 8.380 nan 0.000 0.472 168 E N 1.178 121.463 120.200 0.141 0.000 2.463 168 E HA -0.049 4.302 4.350 0.002 0.000 0.193 168 E C -0.563 176.148 176.600 0.185 0.000 1.041 168 E CA -0.004 56.521 56.400 0.208 0.000 0.879 168 E CB 0.057 29.909 29.700 0.253 0.000 0.997 168 E HN 0.580 nan 8.360 nan 0.000 0.478 169 D N 0.481 120.955 120.400 0.124 0.000 2.455 169 D HA -0.078 4.563 4.640 0.002 0.000 0.234 169 D C 0.787 177.168 176.300 0.134 0.000 1.224 169 D CA -0.113 53.963 54.000 0.126 0.000 0.999 169 D CB -0.240 40.609 40.800 0.081 0.000 1.072 169 D HN 0.024 nan 8.370 nan 0.000 0.514 170 Y N 3.404 123.751 120.300 0.078 0.000 2.181 170 Y HA -0.239 4.313 4.550 0.002 0.000 0.288 170 Y C 2.188 178.123 175.900 0.059 0.000 1.146 170 Y CA 1.971 60.117 58.100 0.075 0.000 1.164 170 Y CB -0.119 38.403 38.460 0.103 0.000 0.982 170 Y HN 0.372 nan 8.280 nan 0.000 0.515 171 V N -1.507 118.562 119.914 0.259 0.000 2.568 171 V HA -0.202 3.919 4.120 0.002 0.000 0.253 171 V C 0.750 176.883 176.094 0.064 0.000 1.072 171 V CA 1.696 64.101 62.300 0.175 0.000 1.084 171 V CB -0.796 31.111 31.823 0.140 0.000 0.676 171 V HN 0.320 nan 8.190 nan 0.000 0.469 172 D N 2.258 122.675 120.400 0.028 0.000 2.325 172 D HA 0.200 4.841 4.640 0.002 0.000 0.251 172 D C -1.219 175.044 176.300 -0.062 0.000 1.196 172 D CA -2.442 51.554 54.000 -0.007 0.000 0.866 172 D CB 1.701 42.501 40.800 0.001 0.000 1.101 172 D HN 0.230 nan 8.370 nan 0.000 0.476 173 P HA -0.101 nan 4.420 nan 0.000 0.225 173 P C 0.793 178.050 177.300 -0.072 0.000 1.148 173 P CA 0.611 63.665 63.100 -0.076 0.000 0.779 173 P CB 0.223 31.901 31.700 -0.036 0.000 0.780 174 A N 0.315 123.105 122.820 -0.049 0.000 2.119 174 A HA 0.045 4.366 4.320 0.002 0.000 0.216 174 A C 1.338 178.887 177.584 -0.057 0.000 1.152 174 A CA 0.386 52.400 52.037 -0.038 0.000 0.708 174 A CB -1.115 17.873 19.000 -0.020 0.000 0.805 174 A HN 0.375 nan 8.150 nan 0.000 0.460 175 S N -0.027 115.622 115.700 -0.085 0.000 2.568 175 S HA 0.128 4.599 4.470 0.002 0.000 0.282 175 S C 0.522 175.022 174.600 -0.166 0.000 1.338 175 S CA 0.205 58.337 58.200 -0.114 0.000 1.045 175 S CB 0.831 63.964 63.200 -0.113 0.000 0.873 175 S HN 0.347 nan 8.310 nan 0.000 0.516 176 E N 1.397 121.450 120.200 -0.246 0.000 2.153 176 E HA -0.079 4.272 4.350 0.002 0.000 0.194 176 E C 1.889 178.221 176.600 -0.446 0.000 0.988 176 E CA 1.034 57.231 56.400 -0.338 0.000 0.811 176 E CB -0.455 28.814 29.700 -0.718 0.000 0.746 176 E HN 0.566 nan 8.360 nan 0.000 0.466 177 V N 0.323 119.968 119.914 -0.448 0.000 2.358 177 V HA -0.272 3.849 4.120 0.002 0.000 0.246 177 V C 2.151 178.152 176.094 -0.156 0.000 1.047 177 V CA 2.125 64.354 62.300 -0.118 0.000 1.035 177 V CB -0.066 31.845 31.823 0.146 0.000 0.658 177 V HN 0.305 nan 8.190 nan 0.000 0.452 178 Q N -1.056 118.508 119.800 -0.393 0.000 2.137 178 Q HA -0.144 4.197 4.340 0.002 0.000 0.198 178 Q C 2.142 177.968 176.000 -0.291 0.000 0.960 178 Q CA 1.900 57.370 55.803 -0.555 0.000 0.847 178 Q CB -0.025 28.307 28.738 -0.677 0.000 0.915 178 Q HN 0.700 nan 8.270 nan 0.000 0.448 179 T N -0.482 113.928 114.554 -0.240 0.000 2.788 179 T HA -0.183 4.168 4.350 0.002 0.000 0.268 179 T C 1.417 175.841 174.700 -0.461 0.000 1.044 179 T CA 1.466 63.438 62.100 -0.213 0.000 1.139 179 T CB -0.380 68.465 68.868 -0.039 0.000 0.867 179 T HN 0.505 nan 8.240 nan 0.000 0.454 180 H N 0.751 119.317 119.070 -0.841 0.000 2.319 180 H HA -0.127 4.430 4.556 0.002 0.000 0.299 180 H C 1.949 177.012 175.328 -0.442 0.000 1.092 180 H CA 1.237 56.634 56.048 -1.085 0.000 1.302 180 H CB 0.134 29.567 29.762 -0.547 0.000 1.373 180 H HN 0.182 nan 8.280 nan 0.000 0.497 181 D N -0.040 120.266 120.400 -0.156 0.000 2.117 181 D HA -0.123 4.518 4.640 0.002 0.000 0.197 181 D C 2.367 178.595 176.300 -0.120 0.000 0.987 181 D CA 0.998 54.921 54.000 -0.128 0.000 0.829 181 D CB -0.142 40.721 40.800 0.106 0.000 0.961 181 D HN 0.399 nan 8.370 nan 0.000 0.460 182 R N 0.229 120.661 120.500 -0.113 0.000 2.092 182 R HA 0.026 4.367 4.340 0.002 0.000 0.231 182 R C 2.313 178.562 176.300 -0.085 0.000 1.119 182 R CA 0.939 56.993 56.100 -0.076 0.000 0.970 182 R CB -0.210 30.048 30.300 -0.069 0.000 0.864 182 R HN 0.037 nan 8.270 nan 0.000 0.440 183 S N 0.614 116.238 115.700 -0.126 0.000 2.442 183 S HA -0.071 4.400 4.470 0.002 0.000 0.236 183 S C 1.755 176.313 174.600 -0.070 0.000 1.007 183 S CA 1.186 59.337 58.200 -0.081 0.000 0.965 183 S CB 0.153 63.298 63.200 -0.091 0.000 0.773 183 S HN 0.449 nan 8.310 nan 0.000 0.504 184 A N -0.133 122.609 122.820 -0.130 0.000 2.252 184 A HA 0.574 4.895 4.320 0.002 0.000 0.213 184 A C 1.554 179.023 177.584 -0.192 0.000 1.188 184 A CA 0.658 52.577 52.037 -0.198 0.000 0.863 184 A CB -0.208 18.513 19.000 -0.465 0.000 0.893 184 A HN 0.796 nan 8.150 nan 0.000 0.495 185 G N -2.743 105.993 108.800 -0.106 0.000 2.159 185 G HA2 -0.250 3.711 3.960 0.002 0.000 0.227 185 G HA3 -0.250 3.711 3.960 0.002 0.000 0.227 185 G C 0.437 175.371 174.900 0.056 0.000 0.986 185 G CA 0.355 45.442 45.100 -0.023 0.000 0.651 185 G HN 0.378 nan 8.290 nan 0.000 0.523 186 W N 0.898 122.011 121.300 -0.312 0.000 2.678 186 W HA 0.435 5.096 4.660 0.002 0.000 0.256 186 W C 1.596 178.037 176.519 -0.130 0.000 1.280 186 W CA 0.543 57.728 57.345 -0.266 0.000 1.345 186 W CB 0.178 29.420 29.460 -0.363 0.000 1.118 186 W HN 0.207 nan 8.180 nan 0.000 0.629 187 R N -1.395 119.161 120.500 0.094 0.000 2.799 187 R HA 0.311 4.652 4.340 0.002 0.000 0.270 187 R C -0.346 175.966 176.300 0.020 0.000 1.010 187 R CA -0.790 55.344 56.100 0.057 0.000 0.916 187 R CB 1.390 31.737 30.300 0.079 0.000 1.228 187 R HN -0.400 nan 8.270 nan 0.000 0.469 188 T N 2.610 117.174 114.554 0.016 0.000 2.902 188 T HA 0.073 4.424 4.350 0.002 0.000 0.301 188 T C 0.468 175.174 174.700 0.009 0.000 1.012 188 T CA 0.172 62.278 62.100 0.011 0.000 1.151 188 T CB 0.175 69.051 68.868 0.014 0.000 0.946 188 T HN 0.190 nan 8.240 nan 0.000 0.542 189 R N 2.532 123.038 120.500 0.011 0.000 2.679 189 R HA 0.276 4.617 4.340 0.002 0.000 0.268 189 R C 0.514 176.829 176.300 0.025 0.000 1.044 189 R CA 0.035 56.142 56.100 0.012 0.000 1.105 189 R CB 0.540 30.851 30.300 0.018 0.000 0.989 189 R HN 0.546 nan 8.270 nan 0.000 0.447 190 R N 0.510 121.024 120.500 0.024 0.000 2.787 190 R HA 0.180 4.521 4.340 0.002 0.000 0.271 190 R C -0.530 175.814 176.300 0.074 0.000 0.993 190 R CA -1.118 55.011 56.100 0.048 0.000 0.993 190 R CB 1.039 31.358 30.300 0.030 0.000 1.155 190 R HN 0.531 nan 8.270 nan 0.000 0.486 191 H N -0.032 119.042 119.070 0.007 0.000 3.034 191 H HA 0.126 4.682 4.556 0.001 0.000 0.324 191 H C 1.181 176.516 175.328 0.013 0.000 1.015 191 H CA 2.062 58.117 56.048 0.011 0.000 1.429 191 H CB 0.438 30.206 29.762 0.010 0.000 1.429 191 H HN 0.813 nan 8.280 nan 0.000 0.585 192 G N 3.790 112.296 108.800 -0.490 0.000 2.213 192 G HA2 -0.266 3.695 3.960 0.002 0.000 0.236 192 G HA3 -0.266 3.695 3.960 0.002 0.000 0.236 192 G C 0.129 174.949 174.900 -0.133 0.000 0.991 192 G CA 0.096 44.991 45.100 -0.343 0.000 0.629 192 G HN 0.702 nan 8.290 nan 0.000 0.517 193 D N 2.230 122.585 120.400 -0.075 0.000 2.400 193 D HA 0.431 5.072 4.640 0.002 0.000 0.238 193 D C -1.683 174.617 176.300 0.000 0.000 1.157 193 D CA -0.579 53.411 54.000 -0.017 0.000 0.889 193 D CB 0.485 41.280 40.800 -0.009 0.000 1.199 193 D HN 0.169 nan 8.370 nan 0.000 0.436 194 P HA 0.081 nan 4.420 nan 0.000 0.269 194 P C -0.077 177.245 177.300 0.037 0.000 1.215 194 P CA -0.161 62.977 63.100 0.063 0.000 0.780 194 P CB 0.636 32.424 31.700 0.148 0.000 0.898 195 A N 2.016 124.853 122.820 0.030 0.000 1.969 195 A HA -0.026 4.296 4.320 0.002 0.000 0.218 195 A C 0.516 178.105 177.584 0.009 0.000 1.169 195 A CA 1.781 53.829 52.037 0.018 0.000 0.635 195 A CB -0.826 18.187 19.000 0.021 0.000 0.810 195 A HN 0.737 nan 8.150 nan 0.000 0.445 196 D N -5.707 114.695 120.400 0.004 0.000 2.759 196 D HA 0.329 4.970 4.640 0.002 0.000 0.321 196 D C 0.371 176.636 176.300 -0.059 0.000 1.267 196 D CA 0.126 54.099 54.000 -0.045 0.000 0.933 196 D CB -0.078 40.674 40.800 -0.079 0.000 1.431 196 D HN -0.203 nan 8.370 nan 0.000 0.504 197 T N -1.031 113.421 114.554 -0.170 0.000 2.821 197 T HA -0.102 4.249 4.350 0.002 0.000 0.267 197 T C 1.301 175.872 174.700 -0.214 0.000 1.046 197 T CA 1.369 63.411 62.100 -0.097 0.000 1.139 197 T CB -0.587 68.285 68.868 0.007 0.000 0.871 197 T HN 0.369 nan 8.240 nan 0.000 0.454 198 Y N 1.611 121.614 120.300 -0.494 0.000 2.128 198 Y HA -0.101 4.450 4.550 0.001 0.000 0.284 198 Y C 2.612 178.348 175.900 -0.272 0.000 1.154 198 Y CA 0.913 58.534 58.100 -0.800 0.000 1.149 198 Y CB -0.570 37.142 38.460 -1.245 0.000 0.976 198 Y HN 0.285 nan 8.280 nan 0.000 0.505 199 E N -0.241 119.979 120.200 0.035 0.000 2.077 199 E HA -0.244 4.108 4.350 0.002 0.000 0.193 199 E C 2.063 178.728 176.600 0.110 0.000 0.989 199 E CA 1.158 57.611 56.400 0.089 0.000 0.800 199 E CB -0.386 29.358 29.700 0.074 0.000 0.746 199 E HN 0.435 nan 8.360 nan 0.000 0.452 200 F N 1.390 121.332 119.950 -0.014 0.000 2.126 200 F HA -0.182 4.346 4.527 0.001 0.000 0.299 200 F C 1.817 177.629 175.800 0.019 0.000 1.096 200 F CA 1.379 59.371 58.000 -0.013 0.000 1.255 200 F CB -0.235 38.740 39.000 -0.041 0.000 0.997 200 F HN -0.005 nan 8.300 nan 0.000 0.479 201 L N 0.128 121.305 121.223 -0.078 0.000 2.083 201 L HA -0.211 4.130 4.340 0.002 0.000 0.209 201 L C 2.556 179.425 176.870 -0.003 0.000 1.083 201 L CA 1.795 56.582 54.840 -0.088 0.000 0.752 201 L CB -1.388 40.773 42.059 0.171 0.000 0.899 201 L HN 0.360 nan 8.230 nan 0.000 0.433 202 T N -4.463 110.142 114.554 0.085 0.000 3.007 202 T HA -0.123 4.228 4.350 0.002 0.000 0.270 202 T C 1.696 176.391 174.700 -0.008 0.000 1.107 202 T CA 1.224 63.380 62.100 0.094 0.000 1.118 202 T CB -0.616 68.337 68.868 0.142 0.000 0.889 202 T HN 0.471 nan 8.240 nan 0.000 0.506 203 T N -0.179 114.310 114.554 -0.108 0.000 3.100 203 T HA 0.327 4.678 4.350 0.002 0.000 0.253 203 T C 0.668 175.272 174.700 -0.160 0.000 1.118 203 T CA -0.356 61.667 62.100 -0.127 0.000 1.058 203 T CB -0.604 68.179 68.868 -0.141 0.000 0.953 203 T HN 0.393 nan 8.240 nan 0.000 0.515 204 L N 2.133 123.242 121.223 -0.191 0.000 2.380 204 L HA 0.496 4.837 4.340 0.002 0.000 0.273 204 L C 0.586 177.386 176.870 -0.117 0.000 1.138 204 L CA -0.652 54.091 54.840 -0.163 0.000 0.832 204 L CB 0.502 42.480 42.059 -0.136 0.000 1.124 204 L HN 0.099 nan 8.230 nan 0.000 0.454 205 R N 1.673 122.109 120.500 -0.108 0.000 2.867 205 R HA 0.826 5.167 4.340 0.002 0.000 0.268 205 R C -0.352 175.883 176.300 -0.108 0.000 1.014 205 R CA -0.833 55.206 56.100 -0.101 0.000 0.946 205 R CB 2.046 32.304 30.300 -0.069 0.000 1.208 205 R HN 0.781 nan 8.270 nan 0.000 0.477 206 G N -0.428 108.307 108.800 -0.109 0.000 2.645 206 G HA2 0.244 4.205 3.960 0.002 0.000 0.292 206 G HA3 0.244 4.205 3.960 0.002 0.000 0.292 206 G C -0.514 174.340 174.900 -0.075 0.000 1.415 206 G CA -0.548 44.494 45.100 -0.098 0.000 0.785 206 G HN 0.497 nan 8.290 nan 0.000 0.483 207 D N -1.696 118.667 120.400 -0.061 0.000 2.349 207 D HA 0.268 4.909 4.640 0.002 0.000 0.224 207 D C 1.657 177.928 176.300 -0.048 0.000 1.029 207 D CA 1.132 55.104 54.000 -0.046 0.000 0.879 207 D CB 0.140 40.920 40.800 -0.033 0.000 0.906 207 D HN 1.666 nan 8.370 nan 0.000 0.528 208 G N -0.065 108.696 108.800 -0.064 0.000 2.213 208 G HA2 -0.265 3.696 3.960 0.002 0.000 0.236 208 G HA3 -0.265 3.696 3.960 0.002 0.000 0.236 208 G C 0.404 175.272 174.900 -0.053 0.000 0.991 208 G CA 0.275 45.338 45.100 -0.061 0.000 0.629 208 G HN 0.842 nan 8.290 nan 0.000 0.517 209 S N 0.465 116.137 115.700 -0.047 0.000 2.592 209 S HA 0.723 5.194 4.470 0.002 0.000 0.271 209 S C 0.277 174.852 174.600 -0.042 0.000 1.326 209 S CA 0.976 59.155 58.200 -0.035 0.000 1.024 209 S CB 1.875 65.060 63.200 -0.025 0.000 0.921 209 S HN 1.720 nan 8.310 nan 0.000 0.527 210 T N -2.702 111.836 114.554 -0.027 0.000 2.838 210 T HA 0.800 5.151 4.350 0.002 0.000 0.292 210 T C 0.805 175.504 174.700 -0.002 0.000 1.113 210 T CA -0.262 61.825 62.100 -0.022 0.000 1.008 210 T CB 1.041 69.898 68.868 -0.018 0.000 1.259 210 T HN 1.938 nan 8.240 nan 0.000 0.520 211 G N -0.004 108.803 108.800 0.011 0.000 2.254 211 G HA2 -0.180 3.781 3.960 0.002 0.000 0.225 211 G HA3 -0.180 3.781 3.960 0.002 0.000 0.225 211 G C -0.101 174.830 174.900 0.052 0.000 1.003 211 G CA 0.224 45.343 45.100 0.031 0.000 0.622 211 G HN 1.061 nan 8.290 nan 0.000 0.507 212 E N 0.047 120.274 120.200 0.045 0.000 2.191 212 E HA 0.580 4.931 4.350 0.002 0.000 0.278 212 E C -0.471 176.182 176.600 0.089 0.000 0.972 212 E CA -1.200 55.246 56.400 0.077 0.000 0.804 212 E CB 0.712 30.445 29.700 0.055 0.000 1.110 212 E HN 0.176 nan 8.360 nan 0.000 0.394 213 F N 3.787 123.724 119.950 -0.021 0.000 2.578 213 F HA 0.052 4.580 4.527 0.002 0.000 0.381 213 F C -0.276 175.488 175.800 -0.059 0.000 1.069 213 F CA 0.528 58.484 58.000 -0.073 0.000 1.231 213 F CB 0.509 39.455 39.000 -0.089 0.000 1.086 213 F HN 0.415 nan 8.300 nan 0.000 0.564 214 Q N 6.592 125.942 119.800 -0.750 0.000 2.294 214 Q HA 0.150 4.491 4.340 0.002 0.000 0.264 214 Q C -1.788 173.644 176.000 -0.947 0.000 0.992 214 Q CA -0.980 54.404 55.803 -0.699 0.000 0.747 214 Q CB 0.981 29.525 28.738 -0.322 0.000 1.262 214 Q HN 0.733 nan 8.270 nan 0.000 0.452 215 Y N 3.284 122.873 120.300 -1.186 0.000 2.569 215 Y HA 0.230 4.781 4.550 0.002 0.000 0.332 215 Y C -0.871 174.779 175.900 -0.417 0.000 1.120 215 Y CA -0.117 57.519 58.100 -0.774 0.000 1.416 215 Y CB 0.534 38.838 38.460 -0.260 0.000 1.210 215 Y HN 0.671 nan 8.280 nan 0.000 0.528 216 C N 5.712 124.574 119.300 -0.731 0.000 2.705 216 C HA 0.322 4.783 4.460 0.002 0.000 0.369 216 C C 1.118 175.723 174.990 -0.640 0.000 1.069 216 C CA -0.395 58.187 59.018 -0.726 0.000 1.260 216 C CB 0.321 27.683 27.740 -0.629 0.000 1.764 216 C HN 0.971 nan 8.230 nan 0.000 0.469 217 S N 2.731 118.084 115.700 -0.579 0.000 2.442 217 S HA -0.109 4.362 4.470 0.002 0.000 0.236 217 S C 2.006 176.543 174.600 -0.106 0.000 1.007 217 S CA 1.493 59.501 58.200 -0.320 0.000 0.965 217 S CB -0.012 63.066 63.200 -0.204 0.000 0.773 217 S HN 1.044 nan 8.310 nan 0.000 0.504 218 A N 2.634 125.386 122.820 -0.113 0.000 1.978 218 A HA -0.174 4.147 4.320 0.002 0.000 0.220 218 A C 1.941 179.507 177.584 -0.031 0.000 1.170 218 A CA 1.450 53.487 52.037 -0.000 0.000 0.636 218 A CB -0.576 18.453 19.000 0.048 0.000 0.810 218 A HN 0.441 nan 8.150 nan 0.000 0.448 219 N N -0.099 118.569 118.700 -0.054 0.000 2.104 219 N HA -0.116 4.625 4.740 0.002 0.000 0.190 219 N C 1.698 177.163 175.510 -0.076 0.000 1.024 219 N CA 2.016 55.052 53.050 -0.023 0.000 0.853 219 N CB -0.776 37.698 38.487 -0.022 0.000 1.008 219 N HN 0.524 nan 8.380 nan 0.000 0.424 220 T N 1.161 115.657 114.554 -0.098 0.000 2.821 220 T HA -0.065 4.286 4.350 0.002 0.000 0.267 220 T C 1.072 175.693 174.700 -0.131 0.000 1.046 220 T CA 1.002 63.036 62.100 -0.109 0.000 1.139 220 T CB -0.156 68.620 68.868 -0.153 0.000 0.871 220 T HN 0.173 nan 8.240 nan 0.000 0.454 221 D N 0.854 121.195 120.400 -0.098 0.000 2.183 221 D HA -0.008 4.633 4.640 0.002 0.000 0.203 221 D C 2.220 178.597 176.300 0.128 0.000 0.969 221 D CA 0.401 54.407 54.000 0.009 0.000 0.842 221 D CB -0.409 40.461 40.800 0.118 0.000 0.957 221 D HN 0.197 nan 8.370 nan 0.000 0.484 222 V N 1.135 121.045 119.914 -0.007 0.000 2.343 222 V HA -0.216 3.905 4.120 0.002 0.000 0.247 222 V C 2.603 178.705 176.094 0.013 0.000 1.051 222 V CA 1.094 63.366 62.300 -0.048 0.000 1.036 222 V CB -0.441 31.085 31.823 -0.494 0.000 0.654 222 V HN 0.223 nan 8.190 nan 0.000 0.451 223 L N 0.088 121.295 121.223 -0.026 0.000 2.042 223 L HA -0.188 4.153 4.340 0.002 0.000 0.210 223 L C 2.722 179.608 176.870 0.027 0.000 1.076 223 L CA 1.687 56.521 54.840 -0.010 0.000 0.749 223 L CB -0.818 41.233 42.059 -0.014 0.000 0.893 223 L HN 0.378 nan 8.230 nan 0.000 0.432 224 A N -0.847 121.965 122.820 -0.013 0.000 1.930 224 A HA -0.246 4.075 4.320 0.002 0.000 0.217 224 A C 2.061 179.858 177.584 0.354 0.000 1.175 224 A CA 1.161 53.168 52.037 -0.050 0.000 0.627 224 A CB -0.854 17.797 19.000 -0.583 0.000 0.815 224 A HN 0.622 nan 8.150 nan 0.000 0.443 225 W N 0.913 122.326 121.300 0.188 0.000 2.358 225 W HA -0.132 4.528 4.660 0.001 0.000 0.303 225 W C 1.836 178.414 176.519 0.099 0.000 1.208 225 W CA 1.323 58.771 57.345 0.172 0.000 1.274 225 W CB -0.777 28.728 29.460 0.075 0.000 1.138 225 W HN 0.340 nan 8.180 nan 0.000 0.515 226 I N -0.139 120.552 120.570 0.201 0.000 2.208 226 I HA -0.348 3.823 4.170 0.002 0.000 0.245 226 I C 2.292 178.423 176.117 0.024 0.000 1.097 226 I CA 1.463 62.772 61.300 0.015 0.000 1.363 226 I CB -1.056 36.881 38.000 -0.105 0.000 1.051 226 I HN -0.295 nan 8.210 nan 0.000 0.413 227 V N 0.762 120.722 119.914 0.076 0.000 2.332 227 V HA -0.303 3.818 4.120 0.002 0.000 0.248 227 V C 2.378 178.560 176.094 0.147 0.000 1.055 227 V CA 2.014 64.357 62.300 0.071 0.000 1.038 227 V CB -0.666 31.258 31.823 0.169 0.000 0.651 227 V HN 0.462 nan 8.190 nan 0.000 0.450 228 E N -0.528 119.837 120.200 0.276 0.000 2.072 228 E HA -0.181 4.170 4.350 0.002 0.000 0.191 228 E C 2.513 179.240 176.600 0.212 0.000 0.985 228 E CA 0.787 57.360 56.400 0.288 0.000 0.801 228 E CB -0.152 29.790 29.700 0.403 0.000 0.750 228 E HN 0.376 nan 8.360 nan 0.000 0.452 229 R N 0.496 121.122 120.500 0.211 0.000 2.115 229 R HA -0.052 4.290 4.340 0.002 0.000 0.230 229 R C 2.297 178.657 176.300 0.099 0.000 1.111 229 R CA 0.594 56.778 56.100 0.140 0.000 0.976 229 R CB -0.574 29.791 30.300 0.108 0.000 0.870 229 R HN 0.126 nan 8.270 nan 0.000 0.445 230 V N 0.596 120.551 119.914 0.068 0.000 2.453 230 V HA -0.155 3.966 4.120 0.002 0.000 0.247 230 V C 2.305 178.427 176.094 0.048 0.000 1.048 230 V CA 2.214 64.536 62.300 0.036 0.000 1.049 230 V CB -0.482 31.291 31.823 -0.083 0.000 0.672 230 V HN 0.483 nan 8.190 nan 0.000 0.457 231 T N -3.676 110.917 114.554 0.065 0.000 3.015 231 T HA 0.294 4.646 4.350 0.002 0.000 0.250 231 T C 1.659 176.424 174.700 0.108 0.000 1.057 231 T CA 1.011 63.171 62.100 0.100 0.000 1.066 231 T CB 0.732 69.688 68.868 0.146 0.000 0.959 231 T HN 0.887 nan 8.240 nan 0.000 0.488 232 G N 1.479 110.342 108.800 0.106 0.000 2.184 232 G HA2 -0.208 3.753 3.960 0.002 0.000 0.264 232 G HA3 -0.208 3.753 3.960 0.002 0.000 0.264 232 G C -0.067 174.896 174.900 0.104 0.000 0.975 232 G CA 0.378 45.533 45.100 0.092 0.000 0.642 232 G HN 0.649 nan 8.290 nan 0.000 0.536 233 L N 0.411 121.715 121.223 0.135 0.000 2.325 233 L HA 0.525 4.866 4.340 0.002 0.000 0.279 233 L C 1.325 178.296 176.870 0.168 0.000 1.054 233 L CA -1.182 53.739 54.840 0.136 0.000 0.804 233 L CB 0.947 43.100 42.059 0.156 0.000 1.200 233 L HN 0.086 nan 8.230 nan 0.000 0.436 234 R N 0.652 121.238 120.500 0.143 0.000 2.638 234 R HA -0.124 4.217 4.340 0.002 0.000 0.268 234 R C 0.633 177.055 176.300 0.202 0.000 1.006 234 R CA 0.117 56.328 56.100 0.185 0.000 1.088 234 R CB 0.261 30.634 30.300 0.121 0.000 0.950 234 R HN 0.508 nan 8.270 nan 0.000 0.419 235 Y N 3.346 123.745 120.300 0.165 0.000 2.207 235 Y HA -0.264 4.287 4.550 0.002 0.000 0.287 235 Y C 1.809 177.738 175.900 0.048 0.000 1.156 235 Y CA 1.807 59.965 58.100 0.098 0.000 1.182 235 Y CB -0.095 38.371 38.460 0.010 0.000 0.979 235 Y HN 0.407 nan 8.280 nan 0.000 0.521 236 V N 0.527 120.411 119.914 -0.050 0.000 2.324 236 V HA -0.359 3.762 4.120 0.002 0.000 0.250 236 V C 2.397 178.423 176.094 -0.112 0.000 1.060 236 V CA 2.452 64.686 62.300 -0.110 0.000 1.042 236 V CB -0.691 31.139 31.823 0.011 0.000 0.650 236 V HN 0.517 nan 8.190 nan 0.000 0.450 237 E N -0.202 119.981 120.200 -0.028 0.000 2.112 237 E HA -0.117 4.234 4.350 0.002 0.000 0.190 237 E C 2.235 178.837 176.600 0.003 0.000 0.979 237 E CA 0.967 57.370 56.400 0.005 0.000 0.814 237 E CB -0.191 29.538 29.700 0.047 0.000 0.762 237 E HN 0.556 nan 8.360 nan 0.000 0.460 238 A N 1.143 123.971 122.820 0.014 0.000 1.933 238 A HA -0.159 4.163 4.320 0.002 0.000 0.218 238 A C 2.116 179.734 177.584 0.057 0.000 1.175 238 A CA 1.154 53.278 52.037 0.145 0.000 0.628 238 A CB -0.600 18.494 19.000 0.157 0.000 0.814 238 A HN 0.389 nan 8.150 nan 0.000 0.444 239 L N -0.255 120.811 121.223 -0.263 0.000 2.131 239 L HA -0.084 4.257 4.340 0.002 0.000 0.210 239 L C 2.556 179.433 176.870 0.013 0.000 1.092 239 L CA 2.449 57.149 54.840 -0.233 0.000 0.759 239 L CB -0.650 41.106 42.059 -0.504 0.000 0.903 239 L HN 0.367 nan 8.230 nan 0.000 0.435 240 S N -1.775 113.933 115.700 0.013 0.000 2.345 240 S HA -0.166 4.305 4.470 0.002 0.000 0.219 240 S C 1.916 176.555 174.600 0.065 0.000 1.031 240 S CA 1.699 59.964 58.200 0.108 0.000 0.984 240 S CB -0.474 62.770 63.200 0.072 0.000 0.874 240 S HN 0.599 nan 8.310 nan 0.000 0.451 241 T N 0.486 115.028 114.554 -0.020 0.000 2.746 241 T HA -0.049 4.302 4.350 0.002 0.000 0.267 241 T C 1.228 175.757 174.700 -0.285 0.000 1.039 241 T CA 1.653 63.641 62.100 -0.187 0.000 1.142 241 T CB -0.423 68.247 68.868 -0.330 0.000 0.866 241 T HN 0.565 nan 8.240 nan 0.000 0.444 242 Y N -0.628 119.676 120.300 0.006 0.000 2.500 242 Y HA 0.384 4.935 4.550 0.002 0.000 0.270 242 Y C 1.573 177.480 175.900 0.011 0.000 1.134 242 Y CA -0.097 58.001 58.100 -0.004 0.000 1.293 242 Y CB 0.272 38.719 38.460 -0.021 0.000 1.063 242 Y HN 0.104 nan 8.280 nan 0.000 0.534 243 L N -2.665 118.653 121.223 0.159 0.000 2.865 243 L HA 0.130 4.471 4.340 0.002 0.000 0.167 243 L C 1.665 178.618 176.870 0.138 0.000 1.135 243 L CA 0.513 55.444 54.840 0.151 0.000 0.895 243 L CB -0.883 41.302 42.059 0.210 0.000 1.643 243 L HN 0.202 nan 8.230 nan 0.000 0.518 244 W N 1.225 122.531 121.300 0.009 0.000 2.358 244 W HA -0.121 4.540 4.660 0.002 0.000 0.303 244 W C 1.865 178.386 176.519 0.003 0.000 1.208 244 W CA 1.940 59.292 57.345 0.010 0.000 1.274 244 W CB 0.028 29.490 29.460 0.003 0.000 1.138 244 W HN 0.406 nan 8.180 nan 0.000 0.515 245 A N 0.149 123.028 122.820 0.099 0.000 2.209 245 A HA -0.115 4.206 4.320 0.002 0.000 0.212 245 A C 1.733 179.283 177.584 -0.056 0.000 1.158 245 A CA 1.017 53.064 52.037 0.017 0.000 0.742 245 A CB -0.419 18.602 19.000 0.034 0.000 0.790 245 A HN 0.304 nan 8.150 nan 0.000 0.472 246 K N -0.560 119.795 120.400 -0.075 0.000 2.374 246 K HA 0.312 4.633 4.320 0.002 0.000 0.196 246 K C 0.877 177.404 176.600 -0.122 0.000 1.023 246 K CA -0.011 56.228 56.287 -0.079 0.000 1.103 246 K CB 0.151 32.621 32.500 -0.049 0.000 0.848 246 K HN 0.414 nan 8.250 nan 0.000 0.528 247 L N 0.669 121.761 121.223 -0.218 0.000 2.492 247 L HA 0.005 4.346 4.340 0.002 0.000 0.223 247 L C 0.074 176.810 176.870 -0.224 0.000 1.132 247 L CA 0.130 54.807 54.840 -0.272 0.000 0.850 247 L CB -0.312 41.436 42.059 -0.518 0.000 0.966 247 L HN 0.244 nan 8.230 nan 0.000 0.454 248 D N 1.002 121.291 120.400 -0.185 0.000 2.697 248 D HA -0.174 4.467 4.640 0.002 0.000 0.238 248 D C 0.288 176.496 176.300 -0.153 0.000 1.152 248 D CA 0.646 54.568 54.000 -0.131 0.000 0.666 248 D CB -0.404 40.344 40.800 -0.086 0.000 1.037 248 D HN 0.346 nan 8.370 nan 0.000 0.423 249 A N 0.561 123.240 122.820 -0.235 0.000 2.386 249 A HA 0.313 4.635 4.320 0.002 0.000 0.248 249 A C 1.362 178.922 177.584 -0.040 0.000 1.082 249 A CA 0.169 52.080 52.037 -0.209 0.000 0.789 249 A CB 0.525 19.278 19.000 -0.412 0.000 1.025 249 A HN 0.268 nan 8.150 nan 0.000 0.490 250 D N 0.401 120.810 120.400 0.015 0.000 2.117 250 D HA -0.023 4.618 4.640 0.002 0.000 0.198 250 D C 0.554 176.903 176.300 0.082 0.000 0.982 250 D CA 1.342 55.367 54.000 0.042 0.000 0.828 250 D CB 0.144 40.969 40.800 0.043 0.000 0.967 250 D HN 0.550 nan 8.370 nan 0.000 0.464 251 R N 0.630 121.225 120.500 0.158 0.000 2.837 251 R HA 0.258 4.599 4.340 0.002 0.000 0.271 251 R C -0.805 175.697 176.300 0.338 0.000 0.993 251 R CA -0.864 55.344 56.100 0.181 0.000 0.931 251 R CB 1.474 31.853 30.300 0.132 0.000 1.206 251 R HN -0.149 nan 8.270 nan 0.000 0.474 252 D N 0.989 121.527 120.400 0.230 0.000 2.419 252 D HA 0.124 4.765 4.640 0.002 0.000 0.236 252 D C 0.111 176.424 176.300 0.022 0.000 1.165 252 D CA 0.552 54.666 54.000 0.190 0.000 0.882 252 D CB 0.662 41.494 40.800 0.053 0.000 1.201 252 D HN 0.542 nan 8.370 nan 0.000 0.443 253 A N 1.032 123.564 122.820 -0.480 0.000 2.246 253 A HA 0.654 4.975 4.320 0.002 0.000 0.291 253 A C 0.389 177.770 177.584 -0.338 0.000 1.103 253 A CA -0.346 51.313 52.037 -0.629 0.000 0.844 253 A CB 0.580 18.742 19.000 -1.397 0.000 1.136 253 A HN 0.598 nan 8.150 nan 0.000 0.500 254 T N -1.912 112.496 114.554 -0.243 0.000 2.916 254 T HA 0.702 5.053 4.350 0.002 0.000 0.292 254 T C -0.616 174.021 174.700 -0.104 0.000 1.064 254 T CA -0.489 61.529 62.100 -0.137 0.000 1.011 254 T CB 1.247 70.069 68.868 -0.077 0.000 1.152 254 T HN 0.986 nan 8.240 nan 0.000 0.510 255 I N 1.787 122.332 120.570 -0.043 0.000 2.692 255 I HA 0.453 4.624 4.170 0.002 0.000 0.293 255 I C 0.043 176.198 176.117 0.064 0.000 1.200 255 I CA -0.706 60.608 61.300 0.023 0.000 1.036 255 I CB 2.347 40.356 38.000 0.016 0.000 1.258 255 I HN 1.121 nan 8.210 nan 0.000 0.421 256 T N 4.586 119.223 114.554 0.139 0.000 2.926 256 T HA 0.477 4.828 4.350 0.002 0.000 0.307 256 T C -0.103 174.658 174.700 0.101 0.000 1.059 256 T CA -0.405 61.780 62.100 0.141 0.000 1.122 256 T CB 1.080 70.124 68.868 0.294 0.000 0.972 256 T HN 0.561 nan 8.240 nan 0.000 0.545 257 V N -0.052 119.900 119.914 0.063 0.000 2.823 257 V HA 0.708 4.829 4.120 0.002 0.000 0.312 257 V C -0.284 175.826 176.094 0.027 0.000 1.072 257 V CA -1.281 61.044 62.300 0.042 0.000 0.937 257 V CB 1.710 33.573 31.823 0.066 0.000 1.013 257 V HN 1.081 nan 8.190 nan 0.000 0.430 258 D N 1.360 121.773 120.400 0.022 0.000 2.478 258 D HA 0.209 4.850 4.640 0.002 0.000 0.274 258 D C 1.341 177.656 176.300 0.024 0.000 1.234 258 D CA 0.423 54.427 54.000 0.006 0.000 1.069 258 D CB 0.372 41.169 40.800 -0.006 0.000 1.113 258 D HN 0.801 nan 8.370 nan 0.000 0.571 259 T N -4.410 110.153 114.554 0.014 0.000 3.051 259 T HA -0.111 4.240 4.350 0.002 0.000 0.269 259 T C 1.544 176.261 174.700 0.028 0.000 1.127 259 T CA 1.418 63.535 62.100 0.027 0.000 1.107 259 T CB -0.999 67.883 68.868 0.024 0.000 0.898 259 T HN 0.600 nan 8.240 nan 0.000 0.517 260 T N -2.475 112.091 114.554 0.021 0.000 3.086 260 T HA 0.487 4.838 4.350 0.002 0.000 0.250 260 T C 1.814 176.540 174.700 0.042 0.000 1.074 260 T CA 0.457 62.572 62.100 0.025 0.000 0.988 260 T CB -0.273 68.617 68.868 0.037 0.000 0.988 260 T HN 0.834 nan 8.240 nan 0.000 0.530 261 G N 1.082 109.922 108.800 0.066 0.000 2.157 261 G HA2 -0.214 3.747 3.960 0.002 0.000 0.239 261 G HA3 -0.214 3.747 3.960 0.002 0.000 0.239 261 G C -0.226 174.758 174.900 0.140 0.000 0.982 261 G CA -0.131 45.022 45.100 0.088 0.000 0.650 261 G HN 0.626 nan 8.290 nan 0.000 0.527 262 F N 2.890 122.802 119.950 -0.064 0.000 2.472 262 F HA 0.573 5.101 4.527 0.002 0.000 0.364 262 F C 1.002 176.787 175.800 -0.025 0.000 1.090 262 F CA -0.475 57.462 58.000 -0.104 0.000 1.188 262 F CB 0.572 39.306 39.000 -0.444 0.000 1.105 262 F HN 0.278 nan 8.300 nan 0.000 0.536 263 G N 5.507 114.082 108.800 -0.375 0.000 2.441 263 G HA2 0.044 4.005 3.960 0.002 0.000 0.243 263 G HA3 0.044 4.005 3.960 0.002 0.000 0.243 263 G C -0.808 173.785 174.900 -0.512 0.000 1.281 263 G CA -0.553 44.396 45.100 -0.252 0.000 0.854 263 G HN 0.670 nan 8.290 nan 0.000 0.560 264 F N 3.581 123.308 119.950 -0.373 0.000 2.679 264 F HA 0.377 4.905 4.527 0.002 0.000 0.351 264 F C 1.560 177.147 175.800 -0.356 0.000 1.279 264 F CA -1.066 56.688 58.000 -0.410 0.000 1.227 264 F CB 0.169 38.955 39.000 -0.356 0.000 1.623 264 F HN 0.509 nan 8.300 nan 0.000 0.666 265 A N 3.317 125.791 122.820 -0.577 0.000 1.972 265 A HA -0.276 4.045 4.320 0.002 0.000 0.219 265 A C 2.092 179.433 177.584 -0.405 0.000 1.169 265 A CA 1.854 53.583 52.037 -0.513 0.000 0.635 265 A CB -0.857 17.573 19.000 -0.949 0.000 0.810 265 A HN 0.773 nan 8.150 nan 0.000 0.446 266 N N -1.691 116.640 118.700 -0.615 0.000 2.396 266 N HA 0.195 4.936 4.740 0.002 0.000 0.180 266 N C 1.010 176.271 175.510 -0.415 0.000 1.028 266 N CA 1.718 54.460 53.050 -0.514 0.000 0.893 266 N CB -0.126 37.991 38.487 -0.617 0.000 0.967 266 N HN 0.283 nan 8.380 nan 0.000 0.440 267 G N -2.242 106.279 108.800 -0.465 0.000 3.934 267 G HA2 0.198 4.159 3.960 0.002 0.000 0.212 267 G HA3 0.198 4.159 3.960 0.002 0.000 0.212 267 G C 0.688 175.759 174.900 0.284 0.000 1.126 267 G CA -0.092 44.952 45.100 -0.094 0.000 0.877 267 G HN 0.354 nan 8.290 nan 0.000 0.556 268 G N 0.658 109.642 108.800 0.307 0.000 3.337 268 G HA2 0.402 4.363 3.960 0.002 0.000 0.246 268 G HA3 0.402 4.363 3.960 0.002 0.000 0.246 268 G C 0.204 175.263 174.900 0.265 0.000 1.131 268 G CA 0.051 45.476 45.100 0.542 0.000 0.773 268 G HN 0.252 nan 8.290 nan 0.000 0.544 269 V N 1.293 121.298 119.914 0.151 0.000 2.583 269 V HA 0.457 4.578 4.120 0.002 0.000 0.287 269 V C 0.139 176.261 176.094 0.046 0.000 1.051 269 V CA -0.108 62.219 62.300 0.045 0.000 1.010 269 V CB 1.396 33.214 31.823 -0.008 0.000 0.988 269 V HN 0.169 nan 8.190 nan 0.000 0.478 270 S N 2.762 118.454 115.700 -0.014 0.000 2.513 270 S HA 0.818 5.290 4.470 0.002 0.000 0.299 270 S C -0.409 174.171 174.600 -0.032 0.000 1.087 270 S CA -0.582 57.629 58.200 0.018 0.000 1.012 270 S CB 1.639 64.847 63.200 0.015 0.000 1.044 270 S HN 1.152 nan 8.310 nan 0.000 0.485 271 C N -0.002 119.341 119.300 0.072 0.000 3.314 271 C HA 0.862 5.323 4.460 0.002 0.000 0.344 271 C C 0.226 175.355 174.990 0.232 0.000 1.461 271 C CA -0.878 58.206 59.018 0.111 0.000 1.249 271 C CB 0.605 28.413 27.740 0.114 0.000 1.632 271 C HN 0.876 nan 8.230 nan 0.000 0.452 272 T N -0.541 114.172 114.554 0.264 0.000 2.868 272 T HA 0.548 4.899 4.350 0.002 0.000 0.292 272 T C 1.218 176.088 174.700 0.283 0.000 1.028 272 T CA 0.354 62.617 62.100 0.272 0.000 1.059 272 T CB 1.137 70.128 68.868 0.205 0.000 0.991 272 T HN 1.972 nan 8.240 nan 0.000 0.531 273 A N 1.598 124.600 122.820 0.303 0.000 1.877 273 A HA -0.045 4.276 4.320 0.002 0.000 0.216 273 A C 2.415 180.112 177.584 0.189 0.000 1.186 273 A CA 1.758 53.936 52.037 0.234 0.000 0.620 273 A CB -0.905 18.254 19.000 0.265 0.000 0.822 273 A HN 0.866 nan 8.150 nan 0.000 0.443 274 R N 0.363 120.983 120.500 0.199 0.000 2.096 274 R HA -0.131 4.210 4.340 0.002 0.000 0.235 274 R C 1.300 177.665 176.300 0.109 0.000 1.127 274 R CA 2.106 58.288 56.100 0.136 0.000 0.968 274 R CB -0.640 29.734 30.300 0.124 0.000 0.861 274 R HN 0.480 nan 8.270 nan 0.000 0.440 275 D N -0.252 120.238 120.400 0.150 0.000 2.149 275 D HA -0.117 4.524 4.640 0.002 0.000 0.201 275 D C 1.729 178.114 176.300 0.141 0.000 0.972 275 D CA 0.860 54.929 54.000 0.115 0.000 0.835 275 D CB -0.230 40.736 40.800 0.277 0.000 0.966 275 D HN 0.172 nan 8.370 nan 0.000 0.476 276 L N 1.022 122.400 121.223 0.258 0.000 2.083 276 L HA -0.070 4.271 4.340 0.002 0.000 0.209 276 L C 2.038 179.005 176.870 0.162 0.000 1.083 276 L CA 1.500 56.495 54.840 0.258 0.000 0.752 276 L CB -0.663 41.535 42.059 0.231 0.000 0.899 276 L HN -0.041 nan 8.230 nan 0.000 0.433 277 A N -0.545 122.344 122.820 0.116 0.000 2.019 277 A HA -0.194 4.127 4.320 0.002 0.000 0.219 277 A C 2.338 179.956 177.584 0.058 0.000 1.164 277 A CA 1.489 53.576 52.037 0.084 0.000 0.644 277 A CB -0.540 18.493 19.000 0.054 0.000 0.805 277 A HN 0.534 nan 8.150 nan 0.000 0.449 278 R N -0.681 119.829 120.500 0.017 0.000 2.148 278 R HA -0.050 4.291 4.340 0.002 0.000 0.227 278 R C 1.845 178.139 176.300 -0.009 0.000 1.103 278 R CA 1.238 57.317 56.100 -0.035 0.000 0.983 278 R CB -0.450 29.769 30.300 -0.134 0.000 0.874 278 R HN 0.409 nan 8.270 nan 0.000 0.451 279 V N 0.191 120.133 119.914 0.046 0.000 2.358 279 V HA -0.132 3.989 4.120 0.002 0.000 0.246 279 V C 2.396 178.592 176.094 0.170 0.000 1.047 279 V CA 2.107 64.484 62.300 0.129 0.000 1.035 279 V CB -0.830 31.129 31.823 0.226 0.000 0.658 279 V HN 0.506 nan 8.190 nan 0.000 0.452 280 G N -0.034 108.868 108.800 0.171 0.000 2.422 280 G HA2 -0.304 3.657 3.960 0.002 0.000 0.218 280 G HA3 -0.304 3.657 3.960 0.002 0.000 0.218 280 G C 1.667 176.605 174.900 0.063 0.000 1.146 280 G CA 0.936 46.122 45.100 0.144 0.000 0.769 280 G HN 0.404 nan 8.290 nan 0.000 0.547 281 R N 0.076 120.604 120.500 0.047 0.000 2.091 281 R HA 0.004 4.345 4.340 0.002 0.000 0.238 281 R C 2.423 178.730 176.300 0.012 0.000 1.136 281 R CA 1.530 57.641 56.100 0.019 0.000 0.959 281 R CB -0.569 29.736 30.300 0.008 0.000 0.856 281 R HN 0.337 nan 8.270 nan 0.000 0.437 282 M N -0.641 118.973 119.600 0.022 0.000 2.117 282 M HA -0.161 4.321 4.480 0.002 0.000 0.262 282 M C 1.421 177.736 176.300 0.024 0.000 1.065 282 M CA 1.747 57.060 55.300 0.023 0.000 1.114 282 M CB -0.229 32.393 32.600 0.036 0.000 1.361 282 M HN 0.214 nan 8.290 nan 0.000 0.408 283 M N 0.221 119.836 119.600 0.025 0.000 2.175 283 M HA -0.107 4.374 4.480 0.002 0.000 0.264 283 M C 2.077 178.338 176.300 -0.063 0.000 1.063 283 M CA 1.258 56.539 55.300 -0.032 0.000 1.119 283 M CB -1.177 31.347 32.600 -0.126 0.000 1.377 283 M HN 0.328 nan 8.290 nan 0.000 0.415 284 L N -0.565 120.628 121.223 -0.049 0.000 2.554 284 L HA -0.089 4.252 4.340 0.002 0.000 0.226 284 L C 0.495 177.348 176.870 -0.030 0.000 1.137 284 L CA 0.315 55.126 54.840 -0.050 0.000 0.863 284 L CB -0.385 41.651 42.059 -0.038 0.000 0.985 284 L HN 0.155 nan 8.230 nan 0.000 0.451 285 D N 0.390 120.780 120.400 -0.017 0.000 2.491 285 D HA 0.175 4.816 4.640 0.002 0.000 0.228 285 D C 1.418 177.714 176.300 -0.006 0.000 1.183 285 D CA 0.479 54.473 54.000 -0.010 0.000 0.827 285 D CB 0.601 41.397 40.800 -0.006 0.000 0.989 285 D HN 0.254 nan 8.370 nan 0.000 0.494 286 G N 0.414 109.208 108.800 -0.010 0.000 2.153 286 G HA2 -0.234 3.727 3.960 0.002 0.000 0.252 286 G HA3 -0.234 3.727 3.960 0.002 0.000 0.252 286 G C 1.099 176.012 174.900 0.022 0.000 0.994 286 G CA 0.342 45.442 45.100 0.001 0.000 0.698 286 G HN 0.836 nan 8.290 nan 0.000 0.521 287 G N -3.059 105.756 108.800 0.026 0.000 2.179 287 G HA2 0.055 4.016 3.960 0.002 0.000 0.220 287 G HA3 0.055 4.016 3.960 0.002 0.000 0.220 287 G C 0.255 175.171 174.900 0.025 0.000 0.990 287 G CA 0.354 45.480 45.100 0.043 0.000 0.646 287 G HN 1.596 nan 8.290 nan 0.000 0.517 288 V N 0.997 120.919 119.914 0.014 0.000 2.472 288 V HA 0.847 4.968 4.120 0.002 0.000 0.290 288 V C 0.667 176.759 176.094 -0.003 0.000 1.037 288 V CA 0.077 62.380 62.300 0.005 0.000 0.908 288 V CB 1.425 33.248 31.823 0.001 0.000 0.985 288 V HN 1.114 nan 8.190 nan 0.000 0.454 289 A N 5.534 128.347 122.820 -0.011 0.000 2.344 289 A HA 0.853 5.174 4.320 0.002 0.000 0.307 289 A C -2.026 175.540 177.584 -0.031 0.000 1.151 289 A CA -1.711 50.310 52.037 -0.026 0.000 0.842 289 A CB 1.163 20.140 19.000 -0.038 0.000 1.350 289 A HN 0.602 nan 8.150 nan 0.000 0.459 290 P HA -0.095 nan 4.420 nan 0.000 0.217 290 P C 1.234 178.512 177.300 -0.037 0.000 1.148 290 P CA 1.999 65.076 63.100 -0.039 0.000 0.828 290 P CB 0.192 31.862 31.700 -0.049 0.000 0.783 291 G N -2.133 106.640 108.800 -0.044 0.000 3.042 291 G HA2 0.444 4.405 3.960 0.002 0.000 0.212 291 G HA3 0.444 4.405 3.960 0.002 0.000 0.212 291 G C 0.518 175.399 174.900 -0.031 0.000 1.166 291 G CA 0.404 45.480 45.100 -0.040 0.000 0.767 291 G HN 0.600 nan 8.290 nan 0.000 0.546 292 G N -0.674 108.111 108.800 -0.025 0.000 2.353 292 G HA2 0.095 4.056 3.960 0.002 0.000 0.424 292 G HA3 0.095 4.056 3.960 0.002 0.000 0.424 292 G C -0.672 174.222 174.900 -0.010 0.000 1.320 292 G CA -0.760 44.330 45.100 -0.017 0.000 0.995 292 G HN 0.438 nan 8.290 nan 0.000 0.580 293 R N -0.354 120.144 120.500 -0.003 0.000 2.489 293 R HA 0.464 4.805 4.340 0.002 0.000 0.287 293 R C 0.880 177.185 176.300 0.007 0.000 1.053 293 R CA 0.262 56.364 56.100 0.003 0.000 1.036 293 R CB 0.815 31.119 30.300 0.006 0.000 0.966 293 R HN 0.394 nan 8.270 nan 0.000 0.432 294 V N 4.861 124.781 119.914 0.009 0.000 2.490 294 V HA 0.046 4.167 4.120 0.002 0.000 0.238 294 V C 0.413 176.493 176.094 -0.024 0.000 1.056 294 V CA 1.039 63.348 62.300 0.014 0.000 1.075 294 V CB 0.595 32.435 31.823 0.028 0.000 0.746 294 V HN 0.711 nan 8.190 nan 0.000 0.479 295 V N -2.001 117.892 119.914 -0.035 0.000 3.126 295 V HA 0.788 4.909 4.120 0.002 0.000 0.314 295 V C -0.105 175.990 176.094 0.002 0.000 1.138 295 V CA -0.507 61.733 62.300 -0.100 0.000 1.034 295 V CB 1.598 33.295 31.823 -0.210 0.000 1.075 295 V HN 0.345 nan 8.190 nan 0.000 0.442 296 S N 0.203 115.925 115.700 0.037 0.000 2.600 296 S HA 0.268 4.740 4.470 0.002 0.000 0.265 296 S C 0.789 175.458 174.600 0.116 0.000 1.325 296 S CA -0.013 58.236 58.200 0.081 0.000 1.002 296 S CB 0.816 64.075 63.200 0.098 0.000 0.921 296 S HN 0.825 nan 8.310 nan 0.000 0.554 297 E N 1.030 121.274 120.200 0.074 0.000 2.118 297 E HA -0.208 4.143 4.350 0.002 0.000 0.195 297 E C 1.445 178.085 176.600 0.066 0.000 0.992 297 E CA 1.740 58.174 56.400 0.056 0.000 0.804 297 E CB -0.485 29.233 29.700 0.030 0.000 0.741 297 E HN 0.926 nan 8.360 nan 0.000 0.458 298 D N 0.174 120.625 120.400 0.085 0.000 2.117 298 D HA -0.169 4.472 4.640 0.002 0.000 0.198 298 D C 1.697 178.057 176.300 0.100 0.000 0.982 298 D CA 0.963 55.007 54.000 0.074 0.000 0.828 298 D CB -0.158 40.691 40.800 0.081 0.000 0.967 298 D HN 0.246 nan 8.370 nan 0.000 0.464 299 W N 0.851 122.137 121.300 -0.023 0.000 2.355 299 W HA -0.199 4.462 4.660 0.002 0.000 0.309 299 W C 1.722 178.204 176.519 -0.061 0.000 1.206 299 W CA 1.087 58.417 57.345 -0.025 0.000 1.284 299 W CB -0.496 28.963 29.460 -0.002 0.000 1.145 299 W HN -0.090 nan 8.180 nan 0.000 0.502 300 V N 1.697 121.706 119.914 0.158 0.000 2.343 300 V HA -0.303 3.819 4.120 0.002 0.000 0.247 300 V C 2.628 178.639 176.094 -0.139 0.000 1.051 300 V CA 2.172 64.461 62.300 -0.018 0.000 1.036 300 V CB -0.915 30.914 31.823 0.009 0.000 0.654 300 V HN 0.136 nan 8.190 nan 0.000 0.451 301 R N -0.195 120.252 120.500 -0.088 0.000 2.091 301 R HA -0.143 4.198 4.340 0.002 0.000 0.238 301 R C 2.532 178.738 176.300 -0.157 0.000 1.136 301 R CA 1.548 57.584 56.100 -0.107 0.000 0.959 301 R CB -0.353 29.910 30.300 -0.062 0.000 0.856 301 R HN 0.501 nan 8.270 nan 0.000 0.437 302 R N 0.046 120.429 120.500 -0.194 0.000 2.115 302 R HA -0.060 4.281 4.340 0.002 0.000 0.230 302 R C 2.296 178.406 176.300 -0.317 0.000 1.111 302 R CA 1.061 57.014 56.100 -0.245 0.000 0.976 302 R CB -0.265 29.859 30.300 -0.294 0.000 0.870 302 R HN 0.060 nan 8.270 nan 0.000 0.445 303 V N 1.543 121.208 119.914 -0.416 0.000 2.307 303 V HA -0.214 3.907 4.120 0.002 0.000 0.245 303 V C 2.254 178.131 176.094 -0.361 0.000 1.045 303 V CA 1.626 63.654 62.300 -0.453 0.000 1.024 303 V CB -0.361 31.082 31.823 -0.634 0.000 0.651 303 V HN 0.287 nan 8.190 nan 0.000 0.449 304 L N 0.022 121.055 121.223 -0.315 0.000 2.201 304 L HA -0.103 4.238 4.340 0.002 0.000 0.212 304 L C 2.587 179.351 176.870 -0.177 0.000 1.105 304 L CA 1.264 55.953 54.840 -0.252 0.000 0.775 304 L CB -0.680 41.252 42.059 -0.211 0.000 0.913 304 L HN 0.369 nan 8.230 nan 0.000 0.440 305 A N -0.283 122.443 122.820 -0.157 0.000 2.014 305 A HA 0.317 4.638 4.320 0.002 0.000 0.218 305 A C 1.302 178.847 177.584 -0.065 0.000 1.163 305 A CA 0.982 52.959 52.037 -0.099 0.000 0.652 305 A CB -0.404 18.540 19.000 -0.094 0.000 0.808 305 A HN 0.476 nan 8.150 nan 0.000 0.449 306 G N -2.963 105.775 108.800 -0.103 0.000 2.661 306 G HA2 0.394 4.355 3.960 0.002 0.000 0.685 306 G HA3 0.394 4.355 3.960 0.002 0.000 0.685 306 G C 0.223 175.099 174.900 -0.039 0.000 1.298 306 G CA -0.354 44.710 45.100 -0.060 0.000 0.855 306 G HN 1.282 nan 8.290 nan 0.000 0.560 307 G N -1.113 107.683 108.800 -0.006 0.000 2.583 307 G HA2 0.713 4.674 3.960 0.002 0.000 0.280 307 G HA3 0.713 4.674 3.960 0.002 0.000 0.280 307 G C 0.586 175.552 174.900 0.110 0.000 1.376 307 G CA 0.885 45.996 45.100 0.018 0.000 1.043 307 G HN 1.876 nan 8.290 nan 0.000 0.538 308 S N -1.352 114.399 115.700 0.085 0.000 2.516 308 S HA 0.073 4.544 4.470 0.002 0.000 0.282 308 S C 1.188 175.910 174.600 0.203 0.000 1.286 308 S CA -0.254 58.007 58.200 0.102 0.000 1.066 308 S CB -0.144 63.091 63.200 0.059 0.000 0.884 308 S HN 0.569 nan 8.310 nan 0.000 0.491 309 H N 3.024 122.106 119.070 0.021 0.000 2.389 309 H HA -0.050 4.507 4.556 0.002 0.000 0.299 309 H C 1.456 176.814 175.328 0.050 0.000 1.081 309 H CA 1.271 57.342 56.048 0.039 0.000 1.345 309 H CB 0.277 30.061 29.762 0.038 0.000 1.393 309 H HN 0.610 nan 8.280 nan 0.000 0.520 310 E N 0.970 121.272 120.200 0.170 0.000 2.204 310 E HA -0.070 4.282 4.350 0.002 0.000 0.194 310 E C 2.206 178.872 176.600 0.110 0.000 0.989 310 E CA 0.740 57.209 56.400 0.115 0.000 0.824 310 E CB -0.060 29.685 29.700 0.074 0.000 0.756 310 E HN 0.431 nan 8.360 nan 0.000 0.477 311 A N 0.308 123.196 122.820 0.114 0.000 2.014 311 A HA -0.020 4.301 4.320 0.002 0.000 0.218 311 A C 1.324 179.005 177.584 0.163 0.000 1.163 311 A CA 0.481 52.594 52.037 0.126 0.000 0.652 311 A CB -0.312 18.762 19.000 0.123 0.000 0.808 311 A HN 0.249 nan 8.150 nan 0.000 0.449 312 M N 2.163 121.839 119.600 0.126 0.000 2.201 312 M HA 0.236 4.718 4.480 0.002 0.000 0.345 312 M C 0.596 177.000 176.300 0.172 0.000 1.352 312 M CA 0.631 55.996 55.300 0.109 0.000 1.218 312 M CB 0.186 32.808 32.600 0.037 0.000 1.512 312 M HN 0.209 nan 8.290 nan 0.000 0.447 313 T N -0.438 114.252 114.554 0.227 0.000 3.182 313 T HA 0.233 4.584 4.350 0.002 0.000 0.277 313 T C 0.044 174.879 174.700 0.224 0.000 1.013 313 T CA -0.566 61.650 62.100 0.193 0.000 0.900 313 T CB -0.382 68.579 68.868 0.154 0.000 1.098 313 T HN 0.560 nan 8.240 nan 0.000 0.543 314 D N 1.955 122.540 120.400 0.309 0.000 2.352 314 D HA 0.233 4.874 4.640 0.002 0.000 0.245 314 D C 1.033 177.495 176.300 0.271 0.000 1.224 314 D CA -0.236 53.960 54.000 0.326 0.000 0.879 314 D CB 1.106 42.197 40.800 0.485 0.000 1.057 314 D HN 0.220 nan 8.370 nan 0.000 0.491 315 K N 2.066 122.577 120.400 0.185 0.000 2.283 315 K HA -0.027 4.294 4.320 0.002 0.000 0.202 315 K C 1.884 178.552 176.600 0.113 0.000 1.048 315 K CA 0.775 57.139 56.287 0.129 0.000 0.948 315 K CB 0.167 32.720 32.500 0.088 0.000 0.742 315 K HN 0.488 nan 8.250 nan 0.000 0.458 316 G N 0.217 109.098 108.800 0.136 0.000 2.498 316 G HA2 -0.225 3.736 3.960 0.002 0.000 0.219 316 G HA3 -0.225 3.736 3.960 0.002 0.000 0.219 316 G C 1.088 176.052 174.900 0.106 0.000 1.119 316 G CA 0.376 45.527 45.100 0.085 0.000 0.766 316 G HN 0.224 nan 8.290 nan 0.000 0.552 317 F N 1.200 121.164 119.950 0.024 0.000 2.490 317 F HA 0.103 4.631 4.527 0.002 0.000 0.280 317 F C 2.777 178.653 175.800 0.127 0.000 1.030 317 F CA 1.477 59.525 58.000 0.080 0.000 1.367 317 F CB -0.311 38.802 39.000 0.189 0.000 1.131 317 F HN 0.102 nan 8.300 nan 0.000 0.632 318 T N -1.860 112.781 114.554 0.144 0.000 3.035 318 T HA -0.064 4.287 4.350 0.002 0.000 0.268 318 T C 1.591 176.253 174.700 -0.063 0.000 1.109 318 T CA 1.075 63.189 62.100 0.024 0.000 1.119 318 T CB -0.513 68.416 68.868 0.102 0.000 0.900 318 T HN 0.088 nan 8.240 nan 0.000 0.503 319 N N 1.415 120.076 118.700 -0.065 0.000 2.223 319 N HA -0.037 4.704 4.740 0.002 0.000 0.185 319 N C 1.831 177.217 175.510 -0.206 0.000 1.016 319 N CA 1.635 54.626 53.050 -0.099 0.000 0.863 319 N CB -0.567 37.879 38.487 -0.070 0.000 0.983 319 N HN 0.512 nan 8.380 nan 0.000 0.429 320 T N -0.804 113.531 114.554 -0.365 0.000 3.010 320 T HA 0.167 4.518 4.350 0.002 0.000 0.252 320 T C -0.032 174.167 174.700 -0.835 0.000 1.047 320 T CA 0.470 62.164 62.100 -0.677 0.000 1.140 320 T CB 0.109 68.369 68.868 -1.014 0.000 0.885 320 T HN 0.023 nan 8.240 nan 0.000 0.464 321 F N 2.130 121.879 119.950 -0.335 0.000 2.453 321 F HA 0.368 4.896 4.527 0.002 0.000 0.358 321 F C -1.835 173.806 175.800 -0.266 0.000 1.129 321 F CA -3.093 54.688 58.000 -0.365 0.000 1.200 321 F CB 1.273 39.854 39.000 -0.698 0.000 1.431 321 F HN -0.071 nan 8.300 nan 0.000 0.503 322 P HA -0.186 nan 4.420 nan 0.000 0.217 322 P C 0.348 177.642 177.300 -0.010 0.000 1.148 322 P CA 1.601 64.691 63.100 -0.015 0.000 0.828 322 P CB 0.454 32.147 31.700 -0.011 0.000 0.783 323 D N -0.479 119.899 120.400 -0.037 0.000 2.427 323 D HA 0.184 4.826 4.640 0.002 0.000 0.224 323 D C 1.217 177.305 176.300 -0.353 0.000 1.157 323 D CA 0.031 53.944 54.000 -0.144 0.000 0.828 323 D CB 0.107 40.881 40.800 -0.043 0.000 0.974 323 D HN 0.112 nan 8.370 nan 0.000 0.498 324 G N 0.487 109.203 108.800 -0.139 0.000 2.599 324 G HA2 0.455 4.416 3.960 0.002 0.000 0.264 324 G HA3 0.455 4.416 3.960 0.002 0.000 0.264 324 G C 0.213 175.132 174.900 0.032 0.000 1.200 324 G CA -0.056 45.053 45.100 0.016 0.000 0.896 324 G HN 0.200 nan 8.290 nan 0.000 0.536 325 S N -1.513 114.283 115.700 0.159 0.000 2.703 325 S HA 0.610 5.081 4.470 0.002 0.000 0.273 325 S C -1.659 172.875 174.600 -0.110 0.000 1.178 325 S CA -0.891 57.306 58.200 -0.006 0.000 0.838 325 S CB 1.469 64.670 63.200 0.002 0.000 1.178 325 S HN 1.111 nan 8.310 nan 0.000 0.494 326 Y N 0.122 120.182 120.300 -0.399 0.000 2.433 326 Y HA 0.654 5.205 4.550 0.002 0.000 0.337 326 Y C -0.908 174.828 175.900 -0.274 0.000 1.026 326 Y CA -0.017 57.763 58.100 -0.533 0.000 1.037 326 Y CB 2.204 40.005 38.460 -1.100 0.000 1.245 326 Y HN 1.110 nan 8.280 nan 0.000 0.443 327 T N 5.546 119.866 114.554 -0.390 0.000 2.982 327 T HA 0.390 4.741 4.350 0.002 0.000 0.321 327 T C -0.855 173.677 174.700 -0.279 0.000 1.229 327 T CA -0.567 61.408 62.100 -0.208 0.000 1.044 327 T CB 0.931 69.692 68.868 -0.178 0.000 1.184 327 T HN 0.843 nan 8.240 nan 0.000 0.477 328 R N 3.218 123.642 120.500 -0.127 0.000 3.516 328 R HA -0.163 4.178 4.340 0.002 0.000 0.271 328 R C 0.036 176.365 176.300 0.048 0.000 1.098 328 R CA 0.874 56.953 56.100 -0.036 0.000 0.732 328 R CB -1.435 28.675 30.300 -0.317 0.000 1.152 328 R HN 0.796 nan 8.270 nan 0.000 0.455 329 Q N -4.428 115.276 119.800 -0.160 0.000 2.493 329 Q HA -0.233 4.108 4.340 0.002 0.000 0.260 329 Q C -0.868 174.776 176.000 -0.592 0.000 0.905 329 Q CA 2.020 57.674 55.803 -0.249 0.000 1.140 329 Q CB -1.647 27.050 28.738 -0.068 0.000 1.435 329 Q HN 0.603 nan 8.270 nan 0.000 0.581 330 W N -0.289 120.535 121.300 -0.794 0.000 2.736 330 W HA 0.576 5.237 4.660 0.002 0.000 0.335 330 W C -0.172 175.828 176.519 -0.866 0.000 1.059 330 W CA -0.656 56.355 57.345 -0.556 0.000 1.226 330 W CB 0.687 29.961 29.460 -0.310 0.000 1.416 330 W HN 0.041 nan 8.180 nan 0.000 0.505 331 W N 1.998 123.182 121.300 -0.194 0.000 2.316 331 W HA 0.487 5.148 4.660 0.002 0.000 0.311 331 W C -0.627 175.824 176.519 -0.113 0.000 1.217 331 W CA -0.324 56.877 57.345 -0.239 0.000 1.199 331 W CB 0.771 30.079 29.460 -0.253 0.000 1.202 331 W HN -0.006 nan 8.180 nan 0.000 0.528 332 C N 2.756 122.124 119.300 0.114 0.000 2.301 332 C HA 0.235 4.696 4.460 0.002 0.000 0.323 332 C C 1.766 176.813 174.990 0.094 0.000 1.265 332 C CA -0.541 58.491 59.018 0.023 0.000 1.503 332 C CB 0.306 28.006 27.740 -0.066 0.000 2.195 332 C HN 0.870 nan 8.230 nan 0.000 0.477 333 T N -0.663 113.789 114.554 -0.169 0.000 2.904 333 T HA 0.082 4.433 4.350 0.002 0.000 0.267 333 T C 1.700 176.266 174.700 -0.223 0.000 1.059 333 T CA 1.373 63.170 62.100 -0.505 0.000 1.137 333 T CB -0.347 67.950 68.868 -0.953 0.000 0.879 333 T HN 1.740 nan 8.240 nan 0.000 0.467 334 G N 2.738 111.448 108.800 -0.149 0.000 2.187 334 G HA2 -0.328 3.633 3.960 0.002 0.000 0.261 334 G HA3 -0.328 3.633 3.960 0.002 0.000 0.261 334 G C 0.024 174.904 174.900 -0.033 0.000 1.000 334 G CA 0.383 45.428 45.100 -0.092 0.000 0.718 334 G HN 1.080 nan 8.290 nan 0.000 0.519 335 N N 0.094 118.777 118.700 -0.027 0.000 2.327 335 N HA 0.278 5.019 4.740 0.002 0.000 0.257 335 N C 1.443 176.969 175.510 0.026 0.000 1.281 335 N CA 0.064 53.145 53.050 0.052 0.000 0.942 335 N CB 0.144 38.719 38.487 0.147 0.000 1.199 335 N HN 0.551 nan 8.380 nan 0.000 0.532 336 E N -0.622 119.607 120.200 0.047 0.000 2.265 336 E HA -0.182 4.169 4.350 0.002 0.000 0.196 336 E C 0.925 177.538 176.600 0.021 0.000 0.996 336 E CA 0.911 57.330 56.400 0.032 0.000 0.832 336 E CB -0.219 29.505 29.700 0.039 0.000 0.756 336 E HN 0.554 nan 8.360 nan 0.000 0.491 337 R N 0.065 120.580 120.500 0.025 0.000 2.300 337 R HA 0.123 4.464 4.340 0.002 0.000 0.199 337 R C 1.112 177.384 176.300 -0.046 0.000 0.920 337 R CA 0.428 56.534 56.100 0.010 0.000 1.046 337 R CB 0.388 30.720 30.300 0.053 0.000 0.984 337 R HN 0.336 nan 8.270 nan 0.000 0.493 338 G N 1.974 110.733 108.800 -0.070 0.000 2.198 338 G HA2 -0.323 3.638 3.960 0.002 0.000 0.260 338 G HA3 -0.323 3.638 3.960 0.002 0.000 0.260 338 G C -0.497 174.274 174.900 -0.215 0.000 1.025 338 G CA 0.142 45.170 45.100 -0.120 0.000 0.769 338 G HN 0.411 nan 8.290 nan 0.000 0.507 339 N N -0.930 117.599 118.700 -0.284 0.000 2.454 339 N HA 0.406 5.147 4.740 0.002 0.000 0.254 339 N C 0.066 175.237 175.510 -0.565 0.000 1.228 339 N CA 0.397 53.110 53.050 -0.561 0.000 0.900 339 N CB 1.148 39.124 38.487 -0.851 0.000 1.089 339 N HN 0.172 nan 8.380 nan 0.000 0.449 340 V N 0.598 120.163 119.914 -0.582 0.000 2.876 340 V HA 0.646 4.767 4.120 0.002 0.000 0.312 340 V C -0.450 175.500 176.094 -0.239 0.000 1.085 340 V CA -0.649 61.445 62.300 -0.342 0.000 0.945 340 V CB 2.029 33.662 31.823 -0.316 0.000 1.017 340 V HN 0.648 nan 8.190 nan 0.000 0.428 341 S N 1.325 117.094 115.700 0.115 0.000 2.536 341 S HA 0.727 5.198 4.470 0.002 0.000 0.271 341 S C -0.210 174.687 174.600 0.495 0.000 1.134 341 S CA -0.026 58.373 58.200 0.330 0.000 0.897 341 S CB 1.740 65.140 63.200 0.334 0.000 1.094 341 S HN 1.260 nan 8.310 nan 0.000 0.473 342 G N 2.669 111.697 108.800 0.380 0.000 2.432 342 G HA2 0.614 4.575 3.960 0.002 0.000 0.257 342 G HA3 0.614 4.575 3.960 0.002 0.000 0.257 342 G C -0.782 174.248 174.900 0.217 0.000 1.238 342 G CA -0.336 44.838 45.100 0.123 0.000 0.838 342 G HN 0.718 nan 8.290 nan 0.000 0.547 343 I N 0.845 121.556 120.570 0.234 0.000 2.619 343 I HA 0.597 4.768 4.170 0.002 0.000 0.292 343 I C 0.356 176.568 176.117 0.157 0.000 1.100 343 I CA -0.817 60.561 61.300 0.130 0.000 1.043 343 I CB 2.660 40.593 38.000 -0.112 0.000 1.239 343 I HN 0.658 nan 8.210 nan 0.000 0.420 344 G N 5.199 114.048 108.800 0.083 0.000 2.612 344 G HA2 0.683 4.644 3.960 0.002 0.000 0.298 344 G HA3 0.683 4.644 3.960 0.002 0.000 0.298 344 G C -0.527 174.373 174.900 -0.001 0.000 1.336 344 G CA -0.853 44.308 45.100 0.102 0.000 0.953 344 G HN 0.731 nan 8.290 nan 0.000 0.482 345 I N -1.067 119.544 120.570 0.070 0.000 3.045 345 I HA 0.135 4.306 4.170 0.002 0.000 0.288 345 I C 0.779 176.796 176.117 -0.166 0.000 1.238 345 I CA 0.089 61.368 61.300 -0.035 0.000 1.396 345 I CB 0.108 38.154 38.000 0.077 0.000 1.355 345 I HN 0.818 nan 8.210 nan 0.000 0.601 346 H N 2.534 121.338 119.070 -0.443 0.000 3.080 346 H HA -0.149 4.408 4.556 0.002 0.000 0.254 346 H C 1.021 175.426 175.328 -1.539 0.000 1.179 346 H CA 0.953 56.585 56.048 -0.693 0.000 1.144 346 H CB -1.746 27.831 29.762 -0.309 0.000 1.261 346 H HN 1.446 nan 8.280 nan 0.000 0.333 347 G N 0.557 108.226 108.800 -1.884 0.000 2.215 347 G HA2 -0.204 3.757 3.960 0.002 0.000 0.198 347 G HA3 -0.204 3.757 3.960 0.002 0.000 0.198 347 G C -0.244 174.288 174.900 -0.612 0.000 1.047 347 G CA 0.064 44.127 45.100 -1.730 0.000 0.747 347 G HN 0.319 nan 8.290 nan 0.000 0.495 348 Q N 0.176 119.749 119.800 -0.378 0.000 2.257 348 Q HA 0.624 4.965 4.340 0.002 0.000 0.255 348 Q C -0.194 175.787 176.000 -0.031 0.000 0.920 348 Q CA -0.369 55.344 55.803 -0.149 0.000 0.927 348 Q CB 1.379 30.084 28.738 -0.056 0.000 1.229 348 Q HN 0.471 nan 8.270 nan 0.000 0.433 349 N N 1.351 120.073 118.700 0.036 0.000 2.310 349 N HA 0.411 5.152 4.740 0.002 0.000 0.292 349 N C -1.534 174.085 175.510 0.182 0.000 1.049 349 N CA -0.647 52.496 53.050 0.155 0.000 0.849 349 N CB 1.725 40.344 38.487 0.220 0.000 1.532 349 N HN 0.324 nan 8.380 nan 0.000 0.479 350 L N 2.910 124.275 121.223 0.236 0.000 2.297 350 L HA 0.490 4.831 4.340 0.002 0.000 0.277 350 L C -1.423 175.693 176.870 0.410 0.000 1.040 350 L CA -0.596 54.413 54.840 0.282 0.000 0.867 350 L CB 0.100 42.308 42.059 0.249 0.000 1.244 350 L HN 0.609 nan 8.230 nan 0.000 0.433 351 W N 7.864 129.258 121.300 0.156 0.000 2.429 351 W HA 0.467 5.128 4.660 0.002 0.000 0.314 351 W C -1.829 174.751 176.519 0.102 0.000 1.062 351 W CA -0.922 56.507 57.345 0.141 0.000 1.211 351 W CB 1.429 30.955 29.460 0.110 0.000 1.305 351 W HN 0.353 nan 8.180 nan 0.000 0.476 352 L N 5.802 126.909 121.223 -0.193 0.000 2.282 352 L HA 0.211 4.553 4.340 0.002 0.000 0.288 352 L C -0.422 176.260 176.870 -0.313 0.000 1.033 352 L CA -0.303 54.431 54.840 -0.178 0.000 0.807 352 L CB 1.446 43.373 42.059 -0.220 0.000 1.209 352 L HN 0.349 nan 8.230 nan 0.000 0.423 353 D N 4.361 124.715 120.400 -0.075 0.000 2.456 353 D HA 0.254 4.895 4.640 0.002 0.000 0.287 353 D C -1.515 174.771 176.300 -0.024 0.000 1.186 353 D CA -1.681 52.307 54.000 -0.020 0.000 0.916 353 D CB 1.242 42.141 40.800 0.166 0.000 1.029 353 D HN 0.170 nan 8.370 nan 0.000 0.498 354 P HA -0.193 nan 4.420 nan 0.000 0.217 354 P C 1.678 178.960 177.300 -0.029 0.000 1.148 354 P CA 0.292 63.356 63.100 -0.060 0.000 0.828 354 P CB 0.504 32.148 31.700 -0.093 0.000 0.783 355 L N 0.490 121.703 121.223 -0.017 0.000 2.043 355 L HA -0.129 4.212 4.340 0.002 0.000 0.212 355 L C 2.175 179.053 176.870 0.013 0.000 1.075 355 L CA 2.667 57.507 54.840 0.001 0.000 0.752 355 L CB -1.838 40.231 42.059 0.016 0.000 0.891 355 L HN 0.153 nan 8.230 nan 0.000 0.432 356 T N -5.508 109.061 114.554 0.025 0.000 3.092 356 T HA 0.158 4.509 4.350 0.002 0.000 0.258 356 T C 0.712 175.427 174.700 0.024 0.000 1.031 356 T CA 0.314 62.433 62.100 0.031 0.000 0.925 356 T CB -0.137 68.761 68.868 0.050 0.000 1.036 356 T HN 0.262 nan 8.240 nan 0.000 0.544 357 D N 0.496 120.903 120.400 0.012 0.000 2.772 357 D HA -0.154 4.487 4.640 0.002 0.000 0.233 357 D C -0.687 175.623 176.300 0.017 0.000 1.143 357 D CA 0.565 54.569 54.000 0.005 0.000 0.700 357 D CB -1.460 39.342 40.800 0.004 0.000 1.076 357 D HN 0.543 nan 8.370 nan 0.000 0.430 358 S N -1.205 114.514 115.700 0.032 0.000 2.568 358 S HA 0.801 5.272 4.470 0.002 0.000 0.302 358 S C -0.337 174.306 174.600 0.073 0.000 1.082 358 S CA -0.735 57.496 58.200 0.052 0.000 1.009 358 S CB 2.664 65.906 63.200 0.071 0.000 1.069 358 S HN 0.101 nan 8.310 nan 0.000 0.500 359 V N 2.704 122.663 119.914 0.074 0.000 2.540 359 V HA 0.538 4.659 4.120 0.002 0.000 0.302 359 V C -0.780 175.368 176.094 0.091 0.000 1.035 359 V CA -0.560 61.802 62.300 0.104 0.000 0.873 359 V CB 1.477 33.347 31.823 0.079 0.000 0.992 359 V HN 0.757 nan 8.190 nan 0.000 0.428 360 I N 4.449 125.120 120.570 0.168 0.000 2.406 360 I HA 0.486 4.657 4.170 0.002 0.000 0.290 360 I C -0.637 175.504 176.117 0.040 0.000 0.999 360 I CA -0.824 60.489 61.300 0.022 0.000 1.124 360 I CB 2.029 40.042 38.000 0.022 0.000 1.289 360 I HN 0.261 nan 8.210 nan 0.000 0.441 361 V N 6.701 126.553 119.914 -0.102 0.000 2.398 361 V HA 0.380 4.501 4.120 0.002 0.000 0.286 361 V C -0.095 175.946 176.094 -0.087 0.000 1.026 361 V CA -0.583 61.695 62.300 -0.037 0.000 0.868 361 V CB 1.670 33.485 31.823 -0.013 0.000 0.982 361 V HN 0.628 nan 8.190 nan 0.000 0.443 362 K N 5.603 126.010 120.400 0.012 0.000 2.545 362 K HA 0.667 4.988 4.320 0.002 0.000 0.252 362 K C -1.709 174.849 176.600 -0.071 0.000 0.948 362 K CA -0.579 55.741 56.287 0.055 0.000 0.827 362 K CB 1.353 33.947 32.500 0.156 0.000 1.128 362 K HN 0.607 nan 8.250 nan 0.000 0.429 363 L N 2.987 124.093 121.223 -0.194 0.000 2.333 363 L HA 0.519 4.860 4.340 0.002 0.000 0.280 363 L C -0.626 175.944 176.870 -0.500 0.000 1.004 363 L CA -0.582 53.965 54.840 -0.488 0.000 0.820 363 L CB 2.048 43.626 42.059 -0.801 0.000 1.247 363 L HN 0.653 nan 8.230 nan 0.000 0.416 364 S N 0.248 115.731 115.700 -0.362 0.000 2.732 364 S HA 0.635 5.106 4.470 0.002 0.000 0.293 364 S C -0.575 174.005 174.600 -0.034 0.000 1.159 364 S CA -0.768 57.341 58.200 -0.152 0.000 0.847 364 S CB 2.113 65.196 63.200 -0.194 0.000 1.169 364 S HN 0.576 nan 8.310 nan 0.000 0.501 365 S N 0.200 115.906 115.700 0.010 0.000 2.359 365 S HA 0.312 4.783 4.470 0.002 0.000 0.148 365 S C -0.890 173.663 174.600 -0.079 0.000 1.610 365 S CA -0.806 57.372 58.200 -0.035 0.000 1.274 365 S CB -0.322 62.876 63.200 -0.005 0.000 1.380 365 S HN 0.583 nan 8.310 nan 0.000 0.380 366 W N 2.459 123.554 121.300 -0.343 0.000 2.274 366 W HA 0.227 4.888 4.660 0.002 0.000 0.345 366 W C -1.952 174.220 176.519 -0.577 0.000 1.265 366 W CA -1.798 55.033 57.345 -0.856 0.000 1.293 366 W CB -0.674 28.159 29.460 -1.045 0.000 1.175 366 W HN 0.297 nan 8.180 nan 0.000 0.577 367 P HA -0.124 nan 4.420 nan 0.000 0.219 367 P C -0.080 177.281 177.300 0.102 0.000 1.150 367 P CA 1.661 64.655 63.100 -0.176 0.000 0.814 367 P CB 0.347 31.957 31.700 -0.151 0.000 0.787 368 D N -1.206 119.281 120.400 0.144 0.000 2.185 368 D HA 0.138 4.779 4.640 0.002 0.000 0.247 368 D C -1.655 174.595 176.300 -0.082 0.000 1.027 368 D CA -1.840 52.262 54.000 0.170 0.000 0.861 368 D CB 1.693 42.701 40.800 0.346 0.000 1.202 368 D HN -0.008 nan 8.370 nan 0.000 0.453 369 P HA -0.093 nan 4.420 nan 0.000 0.217 369 P C 0.058 177.345 177.300 -0.021 0.000 1.151 369 P CA 1.306 63.977 63.100 -0.715 0.000 0.828 369 P CB 0.584 32.069 31.700 -0.358 0.000 0.788 370 D N -0.596 119.936 120.400 0.220 0.000 2.333 370 D HA 0.201 4.842 4.640 0.002 0.000 0.225 370 D C -1.260 175.252 176.300 0.353 0.000 1.345 370 D CA -0.284 53.958 54.000 0.403 0.000 0.971 370 D CB 0.427 41.428 40.800 0.336 0.000 1.451 370 D HN -0.013 nan 8.370 nan 0.000 0.561 371 T N -0.055 114.722 114.554 0.372 0.000 2.903 371 T HA 0.445 4.796 4.350 0.002 0.000 0.299 371 T C 1.038 175.859 174.700 0.202 0.000 1.093 371 T CA -0.703 61.525 62.100 0.213 0.000 1.002 371 T CB 1.863 70.775 68.868 0.073 0.000 1.127 371 T HN 0.132 nan 8.240 nan 0.000 0.488 372 E N 0.092 120.362 120.200 0.117 0.000 2.130 372 E HA -0.266 4.085 4.350 0.002 0.000 0.196 372 E C 1.607 178.198 176.600 -0.014 0.000 0.998 372 E CA 1.777 58.221 56.400 0.073 0.000 0.806 372 E CB -0.306 29.406 29.700 0.020 0.000 0.738 372 E HN 0.851 nan 8.360 nan 0.000 0.459 373 H N -0.368 118.566 119.070 -0.226 0.000 2.290 373 H HA -0.177 4.380 4.556 0.002 0.000 0.298 373 H C 1.679 176.730 175.328 -0.462 0.000 1.087 373 H CA 2.175 57.979 56.048 -0.408 0.000 1.291 373 H CB -0.410 28.967 29.762 -0.642 0.000 1.369 373 H HN 0.212 nan 8.280 nan 0.000 0.492 374 W N -0.089 120.872 121.300 -0.565 0.000 2.381 374 W HA -0.139 4.522 4.660 0.002 0.000 0.301 374 W C 2.697 178.694 176.519 -0.870 0.000 1.205 374 W CA 0.842 57.507 57.345 -1.133 0.000 1.285 374 W CB -0.129 28.059 29.460 -2.119 0.000 1.133 374 W HN 0.363 nan 8.180 nan 0.000 0.521 375 H N -0.054 118.909 119.070 -0.178 0.000 2.387 375 H HA -0.100 4.457 4.556 0.002 0.000 0.299 375 H C 2.180 177.492 175.328 -0.026 0.000 1.090 375 H CA 1.754 57.841 56.048 0.065 0.000 1.332 375 H CB -0.359 29.482 29.762 0.131 0.000 1.386 375 H HN 0.210 nan 8.280 nan 0.000 0.516 376 R N 0.864 121.351 120.500 -0.022 0.000 2.083 376 R HA -0.107 4.234 4.340 0.002 0.000 0.237 376 R C 2.412 178.642 176.300 -0.117 0.000 1.137 376 R CA 1.088 57.132 56.100 -0.093 0.000 0.951 376 R CB -0.211 30.001 30.300 -0.146 0.000 0.851 376 R HN 0.206 nan 8.270 nan 0.000 0.434 377 L N 0.252 121.355 121.223 -0.200 0.000 2.027 377 L HA -0.183 4.158 4.340 0.002 0.000 0.206 377 L C 2.819 179.653 176.870 -0.061 0.000 1.074 377 L CA 1.609 56.352 54.840 -0.161 0.000 0.745 377 L CB -0.508 41.419 42.059 -0.220 0.000 0.898 377 L HN 0.333 nan 8.230 nan 0.000 0.433 378 Q N 0.253 120.061 119.800 0.013 0.000 2.046 378 Q HA -0.187 4.154 4.340 0.002 0.000 0.200 378 Q C 2.045 178.064 176.000 0.031 0.000 0.975 378 Q CA 1.617 57.484 55.803 0.108 0.000 0.836 378 Q CB 0.061 29.008 28.738 0.349 0.000 0.896 378 Q HN 0.370 nan 8.270 nan 0.000 0.428 379 N N -0.428 118.312 118.700 0.067 0.000 2.244 379 N HA -0.089 4.652 4.740 0.002 0.000 0.183 379 N C 1.586 177.068 175.510 -0.047 0.000 1.016 379 N CA 1.222 54.294 53.050 0.037 0.000 0.866 379 N CB -0.476 38.108 38.487 0.161 0.000 0.980 379 N HN 0.438 nan 8.380 nan 0.000 0.430 380 G N 1.192 109.961 108.800 -0.051 0.000 2.422 380 G HA2 -0.158 3.803 3.960 0.002 0.000 0.218 380 G HA3 -0.158 3.803 3.960 0.002 0.000 0.218 380 G C 1.674 176.522 174.900 -0.086 0.000 1.146 380 G CA 0.322 45.383 45.100 -0.064 0.000 0.769 380 G HN 0.259 nan 8.290 nan 0.000 0.547 381 I N 0.260 120.766 120.570 -0.106 0.000 2.202 381 I HA -0.092 4.079 4.170 0.002 0.000 0.242 381 I C 2.683 178.704 176.117 -0.159 0.000 1.091 381 I CA 0.635 61.859 61.300 -0.127 0.000 1.368 381 I CB -0.207 37.711 38.000 -0.137 0.000 1.058 381 I HN 0.117 nan 8.210 nan 0.000 0.410 382 L N 0.130 121.181 121.223 -0.287 0.000 2.083 382 L HA -0.214 4.127 4.340 0.002 0.000 0.209 382 L C 2.493 179.095 176.870 -0.446 0.000 1.083 382 L CA 1.308 55.789 54.840 -0.598 0.000 0.752 382 L CB -0.506 40.764 42.059 -1.315 0.000 0.899 382 L HN 0.261 nan 8.230 nan 0.000 0.433 383 L N -0.728 120.357 121.223 -0.231 0.000 2.072 383 L HA -0.175 4.166 4.340 0.002 0.000 0.205 383 L C 2.203 179.092 176.870 0.033 0.000 1.079 383 L CA 0.900 55.758 54.840 0.031 0.000 0.752 383 L CB -0.519 41.604 42.059 0.106 0.000 0.906 383 L HN 0.216 nan 8.230 nan 0.000 0.436 384 D N -0.338 120.053 120.400 -0.016 0.000 2.117 384 D HA -0.148 4.493 4.640 0.002 0.000 0.197 384 D C 2.328 178.637 176.300 0.015 0.000 0.987 384 D CA 1.085 55.083 54.000 -0.004 0.000 0.829 384 D CB -0.140 40.641 40.800 -0.032 0.000 0.961 384 D HN 0.055 nan 8.370 nan 0.000 0.460 385 V N 0.608 120.527 119.914 0.009 0.000 2.358 385 V HA -0.202 3.920 4.120 0.002 0.000 0.246 385 V C 2.463 178.606 176.094 0.081 0.000 1.047 385 V CA 1.546 63.881 62.300 0.058 0.000 1.035 385 V CB -0.492 31.400 31.823 0.115 0.000 0.658 385 V HN 0.137 nan 8.190 nan 0.000 0.452 386 S N -0.265 115.495 115.700 0.099 0.000 2.359 386 S HA -0.228 4.243 4.470 0.002 0.000 0.224 386 S C 2.095 176.769 174.600 0.123 0.000 1.035 386 S CA 1.649 59.952 58.200 0.171 0.000 1.018 386 S CB -0.342 63.047 63.200 0.314 0.000 0.876 386 S HN 0.531 nan 8.310 nan 0.000 0.448 387 R N 1.013 121.573 120.500 0.100 0.000 2.115 387 R HA 0.058 4.399 4.340 0.002 0.000 0.230 387 R C 2.444 178.778 176.300 0.057 0.000 1.111 387 R CA 1.026 57.170 56.100 0.075 0.000 0.976 387 R CB -0.419 29.919 30.300 0.062 0.000 0.870 387 R HN 0.401 nan 8.270 nan 0.000 0.445 388 A N 0.893 123.744 122.820 0.053 0.000 2.125 388 A HA -0.075 4.246 4.320 0.002 0.000 0.219 388 A C 1.926 179.539 177.584 0.048 0.000 1.156 388 A CA 0.980 53.044 52.037 0.044 0.000 0.671 388 A CB -0.280 18.746 19.000 0.042 0.000 0.794 388 A HN 0.194 nan 8.150 nan 0.000 0.459 389 L N -0.421 120.837 121.223 0.059 0.000 2.509 389 L HA 0.047 4.388 4.340 0.002 0.000 0.222 389 L C -0.136 176.762 176.870 0.047 0.000 1.123 389 L CA -0.323 54.550 54.840 0.055 0.000 0.856 389 L CB -0.303 41.796 42.059 0.067 0.000 0.985 389 L HN 0.159 nan 8.230 nan 0.000 0.456 390 D N 1.428 121.856 120.400 0.047 0.000 2.423 390 D HA 0.188 4.829 4.640 0.002 0.000 0.238 390 D C 0.411 176.729 176.300 0.030 0.000 1.142 390 D CA 0.212 54.236 54.000 0.038 0.000 0.884 390 D CB 1.079 41.902 40.800 0.038 0.000 1.199 390 D HN 0.069 nan 8.370 nan 0.000 0.438 391 A N 1.555 124.390 122.820 0.025 0.000 2.498 391 A HA 0.362 4.683 4.320 0.002 0.000 0.239 391 A C 0.127 177.723 177.584 0.019 0.000 1.068 391 A CA -0.105 51.944 52.037 0.021 0.000 0.766 391 A CB 0.571 19.582 19.000 0.017 0.000 1.003 391 A HN 0.354 nan 8.150 nan 0.000 0.497 392 V N 0.000 119.924 119.914 0.017 0.000 2.409 392 V HA 0.000 4.121 4.120 0.002 0.000 0.244 392 V CA 0.000 62.309 62.300 0.015 0.000 1.235 392 V CB 0.000 31.832 31.823 0.016 0.000 1.184 392 V HN 0.000 nan 8.190 nan 0.000 0.556