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 2zma_1_A DATA FIRST_RESID 5 DATA SEQUENCE STGQHPARYP GAAAGEPTLD SWQEPPHNRW AFAHLGEMVP SAAVSRRPXX DATA SEQUENCE XXGHALARLG AIAAQLPDLE QRLEQTYTDA FLVLRGTEVV AEYYRAGFAP DATA SEQUENCE DDRHLLMAVS 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 SWPDPYTEHW 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 0.000 174.643 174.600 0.072 0.000 1.055 5 S CA 0.000 58.223 58.200 0.038 0.000 1.107 5 S CB 0.000 63.206 63.200 0.010 0.000 0.593 6 T N -0.574 114.035 114.554 0.092 0.000 3.092 6 T HA 0.629 4.980 4.350 0.002 0.000 0.258 6 T C 1.314 176.045 174.700 0.053 0.000 1.031 6 T CA 0.568 62.792 62.100 0.207 0.000 0.925 6 T CB -0.408 68.607 68.868 0.245 0.000 1.036 6 T HN 2.408 nan 8.240 nan 0.000 0.544 7 G N 1.512 110.246 108.800 -0.111 0.000 2.693 7 G HA2 -0.221 3.740 3.960 0.002 0.000 0.226 7 G HA3 -0.221 3.740 3.960 0.002 0.000 0.226 7 G C -0.599 173.982 174.900 -0.532 0.000 1.354 7 G CA -0.395 44.568 45.100 -0.228 0.000 0.873 7 G HN 0.764 nan 8.290 nan 0.000 0.562 8 Q N 0.373 119.929 119.800 -0.407 0.000 2.313 8 Q HA 0.439 4.780 4.340 0.002 0.000 0.266 8 Q C -0.254 175.395 176.000 -0.585 0.000 0.989 8 Q CA -0.210 55.361 55.803 -0.386 0.000 0.890 8 Q CB 0.257 28.889 28.738 -0.177 0.000 1.200 8 Q HN 0.630 nan 8.270 nan 0.000 0.396 9 H N 2.922 121.900 119.070 -0.153 0.000 2.797 9 H HA 0.409 4.966 4.556 0.002 0.000 0.372 9 H C -2.255 173.028 175.328 -0.075 0.000 1.168 9 H CA -2.236 53.707 56.048 -0.175 0.000 1.163 9 H CB 1.137 30.693 29.762 -0.344 0.000 1.778 9 H HN 0.610 nan 8.280 nan 0.000 0.551 10 P HA 0.158 nan 4.420 nan 0.000 0.267 10 P C -0.445 176.855 177.300 -0.001 0.000 1.205 10 P CA -0.255 62.883 63.100 0.063 0.000 0.765 10 P CB 0.372 32.139 31.700 0.111 0.000 0.828 11 A N 3.213 125.987 122.820 -0.077 0.000 2.445 11 A HA 0.074 4.396 4.320 0.002 0.000 0.242 11 A C 1.686 179.111 177.584 -0.265 0.000 1.075 11 A CA -0.147 51.770 52.037 -0.199 0.000 0.777 11 A CB 0.072 18.916 19.000 -0.260 0.000 1.013 11 A HN 0.546 nan 8.150 nan 0.000 0.493 12 R N 0.343 120.596 120.500 -0.413 0.000 2.105 12 R HA -0.083 4.258 4.340 0.002 0.000 0.239 12 R C 0.006 175.911 176.300 -0.659 0.000 1.135 12 R CA 2.287 58.065 56.100 -0.537 0.000 0.967 12 R CB -0.378 29.503 30.300 -0.699 0.000 0.861 12 R HN 0.858 nan 8.270 nan 0.000 0.442 13 Y N -4.643 115.336 120.300 -0.535 0.000 2.615 13 Y HA 0.640 5.192 4.550 0.002 0.000 0.341 13 Y C -2.817 172.988 175.900 -0.159 0.000 1.089 13 Y CA -4.061 53.806 58.100 -0.387 0.000 1.049 13 Y CB 0.276 38.455 38.460 -0.469 0.000 1.296 13 Y HN -0.234 nan 8.280 nan 0.000 0.470 14 P HA 0.200 nan 4.420 nan 0.000 0.258 14 P C 0.761 178.130 177.300 0.115 0.000 1.187 14 P CA 2.293 65.447 63.100 0.090 0.000 0.767 14 P CB 0.405 32.176 31.700 0.119 0.000 0.770 15 G N 2.441 111.229 108.800 -0.020 0.000 2.175 15 G HA2 -0.181 3.780 3.960 0.002 0.000 0.244 15 G HA3 -0.181 3.780 3.960 0.002 0.000 0.244 15 G C 0.446 175.280 174.900 -0.111 0.000 0.982 15 G CA -0.096 44.999 45.100 -0.008 0.000 0.641 15 G HN 0.842 nan 8.290 nan 0.000 0.527 16 A N 0.440 122.987 122.820 -0.455 0.000 2.511 16 A HA 0.766 5.088 4.320 0.002 0.000 0.242 16 A C 1.141 178.556 177.584 -0.283 0.000 1.069 16 A CA 1.194 52.823 52.037 -0.680 0.000 0.763 16 A CB 0.286 18.423 19.000 -1.438 0.000 1.001 16 A HN 2.120 nan 8.150 nan 0.000 0.498 17 A N 1.818 124.564 122.820 -0.123 0.000 2.386 17 A HA 0.559 4.881 4.320 0.002 0.000 0.246 17 A C 0.992 178.521 177.584 -0.090 0.000 1.089 17 A CA 0.140 52.141 52.037 -0.062 0.000 0.790 17 A CB -0.273 18.737 19.000 0.017 0.000 1.042 17 A HN 2.316 nan 8.150 nan 0.000 0.497 18 A N -0.275 122.510 122.820 -0.057 0.000 2.548 18 A HA 0.464 4.785 4.320 0.002 0.000 0.247 18 A C 1.610 179.171 177.584 -0.039 0.000 1.067 18 A CA 0.829 52.839 52.037 -0.046 0.000 0.757 18 A CB -1.100 17.886 19.000 -0.024 0.000 0.996 18 A HN 2.749 nan 8.150 nan 0.000 0.504 19 G N 1.473 110.246 108.800 -0.045 0.000 2.184 19 G HA2 -0.190 3.771 3.960 0.002 0.000 0.264 19 G HA3 -0.190 3.771 3.960 0.002 0.000 0.264 19 G C 0.019 174.878 174.900 -0.069 0.000 0.975 19 G CA 0.509 45.587 45.100 -0.037 0.000 0.642 19 G HN 0.815 nan 8.290 nan 0.000 0.536 20 E N 1.121 121.251 120.200 -0.118 0.000 2.204 20 E HA 0.463 4.815 4.350 0.002 0.000 0.276 20 E C -2.213 174.269 176.600 -0.197 0.000 0.974 20 E CA -1.665 54.628 56.400 -0.179 0.000 0.815 20 E CB 2.333 31.956 29.700 -0.128 0.000 1.119 20 E HN 0.271 nan 8.360 nan 0.000 0.393 21 P HA 0.154 nan 4.420 nan 0.000 0.280 21 P C -0.233 177.060 177.300 -0.012 0.000 1.272 21 P CA -0.319 62.659 63.100 -0.203 0.000 0.819 21 P CB 0.915 32.635 31.700 0.033 0.000 1.122 22 T N -2.123 112.444 114.554 0.022 0.000 2.922 22 T HA 0.238 4.589 4.350 0.002 0.000 0.281 22 T C 1.117 175.966 174.700 0.248 0.000 1.005 22 T CA -0.702 61.460 62.100 0.103 0.000 0.982 22 T CB 0.174 69.081 68.868 0.064 0.000 1.158 22 T HN 0.123 nan 8.240 nan 0.000 0.566 23 L N 0.350 121.715 121.223 0.237 0.000 2.265 23 L HA 0.042 4.384 4.340 0.002 0.000 0.215 23 L C 1.519 178.614 176.870 0.374 0.000 1.117 23 L CA 1.846 56.904 54.840 0.362 0.000 0.782 23 L CB -0.870 41.318 42.059 0.215 0.000 0.914 23 L HN 0.676 nan 8.230 nan 0.000 0.441 24 D N -2.086 118.430 120.400 0.192 0.000 2.360 24 D HA 0.057 4.698 4.640 0.002 0.000 0.210 24 D C 1.735 178.047 176.300 0.019 0.000 1.047 24 D CA 1.005 55.055 54.000 0.084 0.000 0.854 24 D CB 0.456 41.293 40.800 0.061 0.000 0.936 24 D HN 0.522 nan 8.370 nan 0.000 0.514 25 S N -0.475 115.262 115.700 0.061 0.000 2.666 25 S HA -0.005 4.467 4.470 0.002 0.000 0.239 25 S C 1.684 176.350 174.600 0.109 0.000 1.031 25 S CA -0.809 57.417 58.200 0.045 0.000 1.015 25 S CB -0.721 62.488 63.200 0.015 0.000 0.981 25 S HN 0.406 nan 8.310 nan 0.000 0.547 26 W N 1.865 123.237 121.300 0.120 0.000 2.525 26 W HA 0.095 4.757 4.660 0.002 0.000 0.259 26 W C 0.843 177.482 176.519 0.200 0.000 1.253 26 W CA 0.527 57.985 57.345 0.189 0.000 1.262 26 W CB -0.731 28.858 29.460 0.215 0.000 1.122 26 W HN 0.406 nan 8.180 nan 0.000 0.607 27 Q N 0.958 120.521 119.800 -0.395 0.000 2.425 27 Q HA 0.049 4.391 4.340 0.002 0.000 0.204 27 Q C 0.089 176.039 176.000 -0.083 0.000 0.933 27 Q CA 0.535 56.156 55.803 -0.303 0.000 0.939 27 Q CB 0.192 28.579 28.738 -0.584 0.000 1.044 27 Q HN 0.404 nan 8.270 nan 0.000 0.513 28 E N 1.840 122.040 120.200 0.000 0.000 2.248 28 E HA 0.247 4.599 4.350 0.002 0.000 0.272 28 E C -2.435 174.148 176.600 -0.028 0.000 1.008 28 E CA -2.297 54.116 56.400 0.022 0.000 0.856 28 E CB 0.915 30.667 29.700 0.087 0.000 1.120 28 E HN -0.046 nan 8.360 nan 0.000 0.397 29 P HA 0.105 nan 4.420 nan 0.000 0.277 29 P C -2.165 174.946 177.300 -0.315 0.000 1.240 29 P CA -1.441 61.551 63.100 -0.180 0.000 0.798 29 P CB 0.664 32.295 31.700 -0.114 0.000 0.979 30 P HA -0.008 nan 4.420 nan 0.000 0.255 30 P C 1.017 178.116 177.300 -0.335 0.000 1.248 30 P CA 0.796 63.723 63.100 -0.288 0.000 0.807 30 P CB -0.136 31.465 31.700 -0.164 0.000 1.150 31 H N 1.725 120.771 119.070 -0.041 0.000 2.421 31 H HA -0.090 4.467 4.556 0.002 0.000 0.298 31 H C 1.650 176.925 175.328 -0.087 0.000 1.087 31 H CA 1.665 57.699 56.048 -0.024 0.000 1.330 31 H CB -1.006 28.898 29.762 0.236 0.000 1.388 31 H HN 0.348 nan 8.280 nan 0.000 0.526 32 N N 1.950 120.574 118.700 -0.126 0.000 2.309 32 N HA -0.136 4.605 4.740 0.002 0.000 0.182 32 N C 1.716 176.805 175.510 -0.702 0.000 1.018 32 N CA 0.622 53.348 53.050 -0.540 0.000 0.876 32 N CB -0.505 37.456 38.487 -0.878 0.000 0.972 32 N HN 0.260 nan 8.380 nan 0.000 0.434 33 R N -0.723 119.555 120.500 -0.371 0.000 2.081 33 R HA -0.140 4.201 4.340 0.002 0.000 0.235 33 R C 1.847 178.114 176.300 -0.055 0.000 1.131 33 R CA 1.571 57.550 56.100 -0.202 0.000 0.960 33 R CB -0.573 29.647 30.300 -0.133 0.000 0.856 33 R HN 0.447 nan 8.270 nan 0.000 0.436 34 W N 1.259 122.423 121.300 -0.227 0.000 2.407 34 W HA -0.032 4.629 4.660 0.002 0.000 0.305 34 W C 2.249 178.866 176.519 0.164 0.000 1.196 34 W CA 1.403 58.722 57.345 -0.042 0.000 1.311 34 W CB -0.255 29.074 29.460 -0.218 0.000 1.135 34 W HN 0.055 nan 8.180 nan 0.000 0.514 35 A N -0.150 122.734 122.820 0.107 0.000 1.933 35 A HA -0.136 4.185 4.320 0.002 0.000 0.218 35 A C 1.784 179.391 177.584 0.039 0.000 1.175 35 A CA 1.390 53.405 52.037 -0.037 0.000 0.628 35 A CB -1.342 17.930 19.000 0.452 0.000 0.814 35 A HN 0.361 nan 8.150 nan 0.000 0.444 36 F N -0.238 119.707 119.950 -0.008 0.000 2.451 36 F HA 0.051 4.579 4.527 0.002 0.000 0.299 36 F C 2.393 178.089 175.800 -0.174 0.000 1.101 36 F CA 0.181 58.163 58.000 -0.031 0.000 1.436 36 F CB -0.848 38.174 39.000 0.038 0.000 1.074 36 F HN 0.300 nan 8.300 nan 0.000 0.553 37 A N -1.777 120.981 122.820 -0.104 0.000 2.348 37 A HA 0.122 4.443 4.320 0.002 0.000 0.224 37 A C 0.142 177.225 177.584 -0.834 0.000 1.227 37 A CA 0.226 52.028 52.037 -0.392 0.000 0.885 37 A CB -0.665 18.109 19.000 -0.377 0.000 0.933 37 A HN 0.428 nan 8.150 nan 0.000 0.506 38 H N -1.921 116.842 119.070 -0.513 0.000 3.064 38 H HA 0.205 4.762 4.556 0.002 0.000 0.232 38 H C 0.727 175.740 175.328 -0.525 0.000 1.308 38 H CA -0.408 55.279 56.048 -0.602 0.000 1.010 38 H CB 0.336 29.449 29.762 -1.081 0.000 2.408 38 H HN 0.211 nan 8.280 nan 0.000 0.599 39 L N 0.495 121.523 121.223 -0.326 0.000 2.275 39 L HA 0.075 4.417 4.340 0.002 0.000 0.215 39 L C 2.232 178.922 176.870 -0.299 0.000 1.119 39 L CA 1.804 56.419 54.840 -0.376 0.000 0.790 39 L CB -0.509 41.331 42.059 -0.364 0.000 0.919 39 L HN 0.514 nan 8.230 nan 0.000 0.443 40 G N -1.391 107.287 108.800 -0.204 0.000 2.470 40 G HA2 -0.206 3.755 3.960 0.002 0.000 0.220 40 G HA3 -0.206 3.755 3.960 0.002 0.000 0.220 40 G C 1.399 176.241 174.900 -0.097 0.000 1.121 40 G CA 0.462 45.477 45.100 -0.142 0.000 0.766 40 G HN 0.510 nan 8.290 nan 0.000 0.553 41 E N -0.569 119.589 120.200 -0.071 0.000 2.418 41 E HA 0.005 4.356 4.350 0.002 0.000 0.197 41 E C 1.948 178.564 176.600 0.027 0.000 1.026 41 E CA 0.441 56.863 56.400 0.036 0.000 0.862 41 E CB 0.036 29.851 29.700 0.192 0.000 0.799 41 E HN 0.369 nan 8.360 nan 0.000 0.518 42 M N -0.478 119.065 119.600 -0.096 0.000 2.740 42 M HA 0.142 4.624 4.480 0.002 0.000 0.253 42 M C 0.473 176.678 176.300 -0.159 0.000 1.341 42 M CA 0.522 55.739 55.300 -0.139 0.000 1.176 42 M CB 0.797 33.174 32.600 -0.372 0.000 1.310 42 M HN -0.267 nan 8.290 nan 0.000 0.531 43 V N 1.557 121.348 119.914 -0.206 0.000 2.638 43 V HA 0.407 4.528 4.120 0.002 0.000 0.306 43 V C -2.397 173.629 176.094 -0.115 0.000 1.052 43 V CA -1.761 60.450 62.300 -0.147 0.000 0.885 43 V CB 1.908 33.621 31.823 -0.184 0.000 0.999 43 V HN 0.078 nan 8.190 nan 0.000 0.424 44 P HA 0.251 nan 4.420 nan 0.000 0.265 44 P C -0.624 176.626 177.300 -0.084 0.000 1.193 44 P CA 0.429 63.480 63.100 -0.081 0.000 0.765 44 P CB 0.429 32.086 31.700 -0.071 0.000 0.823 45 S N 0.867 116.515 115.700 -0.088 0.000 2.546 45 S HA 0.751 5.222 4.470 0.002 0.000 0.274 45 S C -0.951 173.600 174.600 -0.082 0.000 1.121 45 S CA -0.583 57.565 58.200 -0.087 0.000 0.887 45 S CB 2.029 65.169 63.200 -0.101 0.000 1.094 45 S HN 0.509 nan 8.310 nan 0.000 0.474 46 A N 1.381 124.156 122.820 -0.075 0.000 2.340 46 A HA 0.893 5.215 4.320 0.002 0.000 0.331 46 A C -0.018 177.523 177.584 -0.072 0.000 1.140 46 A CA -0.690 51.303 52.037 -0.072 0.000 0.801 46 A CB 0.832 19.793 19.000 -0.064 0.000 1.234 46 A HN 1.122 nan 8.150 nan 0.000 0.469 47 A N 0.938 123.714 122.820 -0.073 0.000 2.401 47 A HA 0.532 4.853 4.320 0.002 0.000 0.259 47 A C -0.243 177.301 177.584 -0.066 0.000 1.103 47 A CA -0.183 51.811 52.037 -0.072 0.000 0.789 47 A CB 0.028 18.981 19.000 -0.078 0.000 1.035 47 A HN 1.111 nan 8.150 nan 0.000 0.491 48 V N 3.312 123.189 119.914 -0.062 0.000 2.311 48 V HA 0.245 4.367 4.120 0.002 0.000 0.275 48 V C 0.802 176.863 176.094 -0.056 0.000 1.022 48 V CA -0.321 61.945 62.300 -0.056 0.000 0.830 48 V CB 0.899 32.691 31.823 -0.052 0.000 1.012 48 V HN 0.950 nan 8.190 nan 0.000 0.452 49 S N 4.562 120.228 115.700 -0.056 0.000 2.549 49 S HA 0.143 4.614 4.470 0.002 0.000 0.283 49 S C 1.452 176.021 174.600 -0.051 0.000 1.320 49 S CA -0.378 57.787 58.200 -0.059 0.000 1.058 49 S CB 0.360 63.523 63.200 -0.063 0.000 0.882 49 S HN 0.853 nan 8.310 nan 0.000 0.498 50 R N 3.822 124.291 120.500 -0.051 0.000 2.299 50 R HA 0.162 4.503 4.340 0.002 0.000 0.197 50 R C 0.123 176.398 176.300 -0.042 0.000 0.971 50 R CA 0.296 56.369 56.100 -0.044 0.000 1.030 50 R CB 0.004 30.279 30.300 -0.043 0.000 0.932 50 R HN 0.431 nan 8.270 nan 0.000 0.477 51 R N 2.014 122.485 120.500 -0.048 0.000 2.346 51 R HA 0.367 4.708 4.340 0.002 0.000 0.311 51 R C -2.131 174.144 176.300 -0.042 0.000 0.983 51 R CA -2.036 54.036 56.100 -0.046 0.000 0.880 51 R CB 0.969 31.235 30.300 -0.057 0.000 1.100 51 R HN 0.072 nan 8.270 nan 0.000 0.453 58 H N -0.345 118.732 119.070 0.013 0.000 2.895 58 H HA 0.792 5.350 4.556 0.002 0.000 0.373 58 H C -0.152 175.181 175.328 0.009 0.000 1.174 58 H CA -0.498 55.560 56.048 0.016 0.000 1.144 58 H CB 1.387 31.159 29.762 0.016 0.000 1.793 58 H HN 0.256 nan 8.280 nan 0.000 0.551 59 A N 2.140 124.994 122.820 0.057 0.000 2.462 59 A HA 0.303 4.624 4.320 0.002 0.000 0.243 59 A C -0.259 177.315 177.584 -0.016 0.000 1.076 59 A CA -0.512 51.490 52.037 -0.058 0.000 0.773 59 A CB -0.037 18.966 19.000 0.004 0.000 1.010 59 A HN 0.523 nan 8.150 nan 0.000 0.493 60 L N 2.612 123.766 121.223 -0.115 0.000 2.265 60 L HA 0.639 4.980 4.340 0.002 0.000 0.289 60 L C 0.190 177.074 176.870 0.024 0.000 1.033 60 L CA 0.089 54.944 54.840 0.026 0.000 0.814 60 L CB 0.892 43.008 42.059 0.096 0.000 1.203 60 L HN 0.739 nan 8.230 nan 0.000 0.423 61 A N 6.116 129.020 122.820 0.140 0.000 2.323 61 A HA 0.719 5.040 4.320 0.002 0.000 0.305 61 A C -0.156 177.530 177.584 0.169 0.000 1.275 61 A CA -0.635 51.538 52.037 0.226 0.000 0.804 61 A CB 0.354 19.514 19.000 0.267 0.000 1.152 61 A HN 0.751 nan 8.150 nan 0.000 0.487 62 R N 3.422 124.023 120.500 0.169 0.000 2.748 62 R HA 0.275 4.616 4.340 0.002 0.000 0.283 62 R C -0.207 176.173 176.300 0.133 0.000 1.507 62 R CA -0.208 55.973 56.100 0.134 0.000 1.666 62 R CB 0.443 30.821 30.300 0.130 0.000 1.237 62 R HN 0.720 nan 8.270 nan 0.000 0.633 63 L N 0.335 121.632 121.223 0.124 0.000 2.554 63 L HA 0.118 4.460 4.340 0.002 0.000 0.226 63 L C 1.447 178.372 176.870 0.091 0.000 1.137 63 L CA 0.583 55.495 54.840 0.120 0.000 0.863 63 L CB -0.399 41.707 42.059 0.077 0.000 0.985 63 L HN 0.763 nan 8.230 nan 0.000 0.451 64 G N 0.852 109.698 108.800 0.076 0.000 2.611 64 G HA2 -0.459 3.502 3.960 0.002 0.000 0.301 64 G HA3 -0.459 3.502 3.960 0.002 0.000 0.301 64 G C 1.006 175.935 174.900 0.049 0.000 1.233 64 G CA 0.622 45.759 45.100 0.061 0.000 0.993 64 G HN 0.327 nan 8.290 nan 0.000 0.553 65 A N -0.119 122.729 122.820 0.046 0.000 1.898 65 A HA 0.144 4.465 4.320 0.002 0.000 0.216 65 A C 2.617 180.223 177.584 0.036 0.000 1.181 65 A CA 3.054 55.113 52.037 0.037 0.000 0.620 65 A CB -0.647 18.375 19.000 0.036 0.000 0.819 65 A HN 1.654 nan 8.150 nan 0.000 0.442 66 I N -2.840 117.758 120.570 0.046 0.000 3.083 66 I HA 0.003 4.174 4.170 0.002 0.000 0.273 66 I C 2.102 178.234 176.117 0.025 0.000 1.297 66 I CA 1.023 62.348 61.300 0.042 0.000 1.452 66 I CB -0.427 37.612 38.000 0.065 0.000 1.078 66 I HN 0.173 nan 8.210 nan 0.000 0.484 67 A N 1.701 124.536 122.820 0.025 0.000 1.969 67 A HA 0.054 4.376 4.320 0.002 0.000 0.218 67 A C 2.591 180.177 177.584 0.002 0.000 1.169 67 A CA 1.591 53.634 52.037 0.009 0.000 0.635 67 A CB -0.736 18.275 19.000 0.018 0.000 0.810 67 A HN 0.587 nan 8.150 nan 0.000 0.445 68 A N -0.715 122.111 122.820 0.009 0.000 1.930 68 A HA -0.162 4.159 4.320 0.002 0.000 0.217 68 A C 2.078 179.663 177.584 0.001 0.000 1.175 68 A CA 1.593 53.633 52.037 0.005 0.000 0.627 68 A CB -0.404 18.602 19.000 0.010 0.000 0.815 68 A HN 0.643 nan 8.150 nan 0.000 0.443 69 Q N -1.111 118.691 119.800 0.003 0.000 2.302 69 Q HA 0.244 4.586 4.340 0.002 0.000 0.202 69 Q C -0.232 175.761 176.000 -0.011 0.000 0.936 69 Q CA 0.454 56.257 55.803 -0.001 0.000 0.886 69 Q CB 0.165 28.907 28.738 0.007 0.000 0.986 69 Q HN 0.555 nan 8.270 nan 0.000 0.487 70 L N 1.872 123.084 121.223 -0.017 0.000 2.556 70 L HA 0.265 4.606 4.340 0.002 0.000 0.243 70 L C -1.879 174.964 176.870 -0.045 0.000 1.331 70 L CA -1.346 53.472 54.840 -0.038 0.000 0.927 70 L CB 1.048 43.077 42.059 -0.050 0.000 1.219 70 L HN -0.056 nan 8.230 nan 0.000 0.490 71 P HA -0.160 nan 4.420 nan 0.000 0.218 71 P C 0.349 177.619 177.300 -0.051 0.000 1.148 71 P CA 1.248 64.328 63.100 -0.035 0.000 0.822 71 P CB 0.403 32.087 31.700 -0.026 0.000 0.784 72 D N -1.042 119.318 120.400 -0.066 0.000 2.358 72 D HA 0.047 4.688 4.640 0.002 0.000 0.224 72 D C 1.648 177.874 176.300 -0.124 0.000 1.123 72 D CA -0.225 53.726 54.000 -0.082 0.000 0.833 72 D CB -0.298 40.458 40.800 -0.074 0.000 0.946 72 D HN 0.030 nan 8.370 nan 0.000 0.505 73 L N 1.258 122.396 121.223 -0.141 0.000 2.012 73 L HA -0.155 4.187 4.340 0.002 0.000 0.210 73 L C 2.054 178.739 176.870 -0.308 0.000 1.073 73 L CA 1.904 56.612 54.840 -0.221 0.000 0.748 73 L CB -0.353 41.578 42.059 -0.214 0.000 0.891 73 L HN -0.009 nan 8.230 nan 0.000 0.431 74 E N -1.088 118.953 120.200 -0.265 0.000 2.085 74 E HA -0.324 4.027 4.350 0.002 0.000 0.194 74 E C 2.220 178.632 176.600 -0.313 0.000 0.994 74 E CA 1.502 57.693 56.400 -0.348 0.000 0.801 74 E CB -0.213 29.386 29.700 -0.168 0.000 0.743 74 E HN 0.713 nan 8.360 nan 0.000 0.453 75 Q N 0.189 119.873 119.800 -0.194 0.000 2.124 75 Q HA -0.188 4.154 4.340 0.002 0.000 0.202 75 Q C 2.154 178.052 176.000 -0.171 0.000 0.977 75 Q CA 1.476 57.189 55.803 -0.150 0.000 0.850 75 Q CB 0.071 28.749 28.738 -0.100 0.000 0.901 75 Q HN 0.207 nan 8.270 nan 0.000 0.429 76 R N -0.207 120.175 120.500 -0.197 0.000 2.115 76 R HA -0.060 4.282 4.340 0.002 0.000 0.230 76 R C 2.357 178.523 176.300 -0.223 0.000 1.111 76 R CA 1.064 57.054 56.100 -0.184 0.000 0.976 76 R CB -0.163 30.022 30.300 -0.190 0.000 0.870 76 R HN 0.307 nan 8.270 nan 0.000 0.445 77 L N 0.604 121.610 121.223 -0.362 0.000 2.056 77 L HA -0.154 4.187 4.340 0.002 0.000 0.207 77 L C 2.138 178.835 176.870 -0.288 0.000 1.078 77 L CA 1.419 56.000 54.840 -0.431 0.000 0.749 77 L CB -0.402 41.163 42.059 -0.823 0.000 0.901 77 L HN 0.225 nan 8.230 nan 0.000 0.433 78 E N -0.032 120.001 120.200 -0.278 0.000 2.077 78 E HA -0.267 4.085 4.350 0.002 0.000 0.193 78 E C 2.203 178.696 176.600 -0.180 0.000 0.989 78 E CA 1.135 57.426 56.400 -0.180 0.000 0.800 78 E CB -0.110 29.509 29.700 -0.136 0.000 0.746 78 E HN 0.544 nan 8.360 nan 0.000 0.452 79 Q N -0.118 119.616 119.800 -0.109 0.000 2.226 79 Q HA -0.094 4.247 4.340 0.002 0.000 0.204 79 Q C 1.528 177.629 176.000 0.169 0.000 0.975 79 Q CA 1.572 57.372 55.803 -0.004 0.000 0.866 79 Q CB 0.042 28.787 28.738 0.012 0.000 0.915 79 Q HN 0.293 nan 8.270 nan 0.000 0.440 80 T N -4.181 110.448 114.554 0.125 0.000 3.251 80 T HA 0.133 4.484 4.350 0.002 0.000 0.259 80 T C -0.373 174.525 174.700 0.331 0.000 0.998 80 T CA -0.552 61.707 62.100 0.266 0.000 0.905 80 T CB -0.296 68.712 68.868 0.234 0.000 1.067 80 T HN 0.253 nan 8.240 nan 0.000 0.569 81 Y N 0.645 120.968 120.300 0.038 0.000 3.389 81 Y HA -0.239 4.313 4.550 0.003 0.000 0.213 81 Y C 0.581 176.492 175.900 0.019 0.000 1.272 81 Y CA 0.344 58.461 58.100 0.027 0.000 1.444 81 Y CB -2.704 35.751 38.460 -0.008 0.000 1.445 81 Y HN 0.324 nan 8.280 nan 0.000 0.583 82 T N 0.646 115.251 114.554 0.086 0.000 2.870 82 T HA 0.041 4.392 4.350 0.002 0.000 0.300 82 T C 0.972 175.725 174.700 0.088 0.000 0.989 82 T CA -0.011 62.121 62.100 0.054 0.000 1.139 82 T CB 0.829 69.686 68.868 -0.018 0.000 0.920 82 T HN 0.269 nan 8.240 nan 0.000 0.537 83 D N 1.378 121.742 120.400 -0.060 0.000 2.431 83 D HA 0.284 4.925 4.640 0.002 0.000 0.235 83 D C 0.650 176.741 176.300 -0.349 0.000 0.980 83 D CA 0.340 54.205 54.000 -0.226 0.000 0.912 83 D CB 0.429 41.017 40.800 -0.354 0.000 1.056 83 D HN 0.614 nan 8.370 nan 0.000 0.494 84 A N 0.148 122.782 122.820 -0.311 0.000 2.486 84 A HA 0.590 4.911 4.320 0.002 0.000 0.300 84 A C -1.855 175.707 177.584 -0.037 0.000 1.048 84 A CA -0.564 51.366 52.037 -0.179 0.000 0.696 84 A CB 1.647 20.597 19.000 -0.083 0.000 1.278 84 A HN 0.047 nan 8.150 nan 0.000 0.405 85 F N 1.928 121.721 119.950 -0.262 0.000 2.574 85 F HA 0.755 5.283 4.527 0.002 0.000 0.313 85 F C -1.625 174.068 175.800 -0.179 0.000 1.130 85 F CA -0.757 57.150 58.000 -0.154 0.000 0.936 85 F CB 1.631 40.582 39.000 -0.083 0.000 1.219 85 F HN 0.679 nan 8.300 nan 0.000 0.445 86 L N 6.793 127.590 121.223 -0.710 0.000 2.493 86 L HA 0.775 5.116 4.340 0.002 0.000 0.265 86 L C -1.892 174.652 176.870 -0.543 0.000 0.954 86 L CA -0.653 53.903 54.840 -0.474 0.000 0.844 86 L CB 2.138 44.107 42.059 -0.150 0.000 1.302 86 L HN 0.470 nan 8.230 nan 0.000 0.405 87 V N 5.194 124.887 119.914 -0.369 0.000 2.409 87 V HA 0.443 4.564 4.120 0.002 0.000 0.291 87 V C -0.553 175.494 176.094 -0.079 0.000 1.020 87 V CA -0.484 61.684 62.300 -0.222 0.000 0.848 87 V CB 1.648 33.380 31.823 -0.152 0.000 0.990 87 V HN 0.559 nan 8.190 nan 0.000 0.430 88 L N 6.048 127.248 121.223 -0.039 0.000 2.276 88 L HA 0.568 4.909 4.340 0.002 0.000 0.286 88 L C 0.030 176.908 176.870 0.013 0.000 1.024 88 L CA -0.044 54.795 54.840 -0.003 0.000 0.826 88 L CB 0.931 42.995 42.059 0.008 0.000 1.211 88 L HN 0.630 nan 8.230 nan 0.000 0.422 89 R N 4.600 125.110 120.500 0.017 0.000 2.215 89 R HA 0.565 4.906 4.340 0.002 0.000 0.336 89 R C 0.641 176.953 176.300 0.019 0.000 0.996 89 R CA 0.581 56.695 56.100 0.023 0.000 0.847 89 R CB 0.646 30.961 30.300 0.026 0.000 1.127 89 R HN 0.948 nan 8.270 nan 0.000 0.465 90 G N 2.683 111.494 108.800 0.017 0.000 2.596 90 G HA2 -0.450 3.511 3.960 0.002 0.000 0.304 90 G HA3 -0.450 3.511 3.960 0.002 0.000 0.304 90 G C 0.593 175.499 174.900 0.011 0.000 1.189 90 G CA 0.771 45.878 45.100 0.012 0.000 0.986 90 G HN 0.662 nan 8.290 nan 0.000 0.548 91 T N -1.060 113.499 114.554 0.009 0.000 3.069 91 T HA 0.477 4.828 4.350 0.002 0.000 0.252 91 T C 0.601 175.307 174.700 0.010 0.000 1.053 91 T CA 1.269 63.373 62.100 0.007 0.000 0.964 91 T CB 0.560 69.431 68.868 0.004 0.000 1.005 91 T HN 0.762 nan 8.240 nan 0.000 0.532 92 E N 1.413 121.621 120.200 0.014 0.000 2.166 92 E HA 0.449 4.801 4.350 0.002 0.000 0.275 92 E C -1.034 175.577 176.600 0.019 0.000 0.941 92 E CA -0.807 55.604 56.400 0.017 0.000 0.784 92 E CB 1.752 31.463 29.700 0.019 0.000 1.115 92 E HN 0.050 nan 8.360 nan 0.000 0.399 93 V N 5.956 125.884 119.914 0.024 0.000 2.415 93 V HA 0.003 4.125 4.120 0.002 0.000 0.267 93 V C 1.114 177.227 176.094 0.031 0.000 1.042 93 V CA 0.073 62.389 62.300 0.026 0.000 1.000 93 V CB 0.669 32.517 31.823 0.043 0.000 1.015 93 V HN 0.696 nan 8.190 nan 0.000 0.478 94 V N 1.915 121.844 119.914 0.025 0.000 3.643 94 V HA 0.766 4.888 4.120 0.002 0.000 0.280 94 V C 0.594 176.718 176.094 0.051 0.000 1.351 94 V CA 0.586 62.907 62.300 0.036 0.000 1.073 94 V CB 0.072 31.915 31.823 0.033 0.000 0.863 94 V HN 0.878 nan 8.190 nan 0.000 0.436 95 A N -0.207 122.640 122.820 0.045 0.000 2.566 95 A HA 0.808 5.129 4.320 0.002 0.000 0.297 95 A C -1.010 176.614 177.584 0.066 0.000 1.059 95 A CA -0.497 51.593 52.037 0.088 0.000 0.691 95 A CB 1.624 20.712 19.000 0.147 0.000 1.282 95 A HN 0.373 nan 8.150 nan 0.000 0.401 96 E N -0.128 120.146 120.200 0.123 0.000 2.366 96 E HA 0.537 4.889 4.350 0.002 0.000 0.278 96 E C -2.122 174.544 176.600 0.111 0.000 0.923 96 E CA -0.540 55.894 56.400 0.057 0.000 0.761 96 E CB 2.761 32.532 29.700 0.118 0.000 1.231 96 E HN 0.669 nan 8.360 nan 0.000 0.443 97 Y N 1.773 121.918 120.300 -0.258 0.000 2.479 97 Y HA 0.468 5.020 4.550 0.002 0.000 0.338 97 Y C -2.165 173.391 175.900 -0.573 0.000 1.055 97 Y CA -0.601 57.364 58.100 -0.224 0.000 1.023 97 Y CB 1.263 39.684 38.460 -0.065 0.000 1.287 97 Y HN 0.506 nan 8.280 nan 0.000 0.447 98 Y N 4.701 124.624 120.300 -0.627 0.000 2.421 98 Y HA 0.494 5.046 4.550 0.002 0.000 0.339 98 Y C -0.278 175.207 175.900 -0.691 0.000 0.996 98 Y CA -1.311 56.532 58.100 -0.429 0.000 1.046 98 Y CB 1.567 40.007 38.460 -0.033 0.000 1.226 98 Y HN 0.692 nan 8.280 nan 0.000 0.445 99 R N 1.526 121.859 120.500 -0.278 0.000 2.774 99 R HA 0.662 5.004 4.340 0.002 0.000 0.269 99 R C -0.064 176.223 176.300 -0.021 0.000 1.068 99 R CA -0.388 55.635 56.100 -0.128 0.000 1.180 99 R CB 0.403 30.744 30.300 0.068 0.000 1.077 99 R HN 0.715 nan 8.270 nan 0.000 0.513 100 A N 0.914 123.733 122.820 -0.001 0.000 2.546 100 A HA 0.366 4.687 4.320 0.002 0.000 0.243 100 A C 1.420 179.031 177.584 0.045 0.000 1.063 100 A CA 0.557 52.597 52.037 0.004 0.000 0.757 100 A CB -0.784 18.238 19.000 0.036 0.000 0.991 100 A HN 1.297 nan 8.150 nan 0.000 0.503 101 G N 0.771 109.583 108.800 0.020 0.000 2.194 101 G HA2 -0.215 3.746 3.960 0.002 0.000 0.236 101 G HA3 -0.215 3.746 3.960 0.002 0.000 0.236 101 G C -0.008 174.944 174.900 0.087 0.000 0.987 101 G CA 0.388 45.512 45.100 0.040 0.000 0.635 101 G HN 1.441 nan 8.290 nan 0.000 0.520 102 F N 2.239 122.167 119.950 -0.037 0.000 2.460 102 F HA 0.741 5.269 4.527 0.002 0.000 0.341 102 F C 0.366 176.120 175.800 -0.077 0.000 1.130 102 F CA -0.287 57.704 58.000 -0.015 0.000 0.962 102 F CB 1.256 40.296 39.000 0.067 0.000 1.171 102 F HN 0.403 nan 8.300 nan 0.000 0.436 103 A N 7.200 129.749 122.820 -0.452 0.000 2.322 103 A HA 0.470 4.791 4.320 0.002 0.000 0.269 103 A C -1.933 175.316 177.584 -0.559 0.000 1.094 103 A CA -1.405 50.387 52.037 -0.408 0.000 0.807 103 A CB 0.247 19.034 19.000 -0.356 0.000 1.047 103 A HN 0.657 nan 8.150 nan 0.000 0.487 104 P HA -0.156 nan 4.420 nan 0.000 0.217 104 P C 0.352 177.397 177.300 -0.425 0.000 1.148 104 P CA 1.767 64.252 63.100 -1.025 0.000 0.828 104 P CB 0.083 31.329 31.700 -0.755 0.000 0.783 105 D N -2.766 117.447 120.400 -0.311 0.000 2.368 105 D HA 0.029 4.671 4.640 0.002 0.000 0.218 105 D C -0.090 176.090 176.300 -0.200 0.000 1.112 105 D CA -0.126 53.770 54.000 -0.173 0.000 0.834 105 D CB -0.712 40.012 40.800 -0.128 0.000 0.953 105 D HN 0.019 nan 8.370 nan 0.000 0.505 106 D N 1.122 121.282 120.400 -0.400 0.000 2.362 106 D HA 0.202 4.844 4.640 0.002 0.000 0.242 106 D C 0.564 176.755 176.300 -0.181 0.000 1.132 106 D CA -0.005 53.693 54.000 -0.504 0.000 0.907 106 D CB 1.121 41.204 40.800 -1.195 0.000 1.195 106 D HN 0.046 nan 8.370 nan 0.000 0.429 107 R N 0.850 121.324 120.500 -0.044 0.000 2.500 107 R HA 0.401 4.742 4.340 0.002 0.000 0.277 107 R C 0.037 176.528 176.300 0.319 0.000 1.026 107 R CA -0.620 55.570 56.100 0.149 0.000 1.058 107 R CB 1.320 31.653 30.300 0.056 0.000 1.078 107 R HN 0.479 nan 8.270 nan 0.000 0.509 108 H N 1.727 120.936 119.070 0.233 0.000 2.771 108 H HA 0.178 4.735 4.556 0.002 0.000 0.361 108 H C -1.181 174.195 175.328 0.081 0.000 1.108 108 H CA -0.938 55.229 56.048 0.197 0.000 1.201 108 H CB 1.638 31.508 29.762 0.179 0.000 1.681 108 H HN 0.308 nan 8.280 nan 0.000 0.534 109 L N 4.816 126.040 121.223 0.002 0.000 2.525 109 L HA -0.013 4.328 4.340 0.002 0.000 0.278 109 L C 0.334 177.345 176.870 0.234 0.000 1.218 109 L CA 0.557 55.436 54.840 0.065 0.000 0.878 109 L CB 0.129 42.136 42.059 -0.087 0.000 1.127 109 L HN 0.717 nan 8.230 nan 0.000 0.492 110 L N 4.840 126.166 121.223 0.172 0.000 2.554 110 L HA 0.045 4.387 4.340 0.002 0.000 0.225 110 L C 1.239 178.187 176.870 0.131 0.000 1.104 110 L CA -0.291 54.636 54.840 0.146 0.000 0.866 110 L CB -0.165 41.960 42.059 0.110 0.000 1.047 110 L HN 0.743 nan 8.230 nan 0.000 0.468 111 M N -0.061 119.645 119.600 0.177 0.000 7.319 111 M HA -0.369 4.112 4.480 0.002 0.000 0.191 111 M C 1.522 177.900 176.300 0.130 0.000 0.480 111 M CA 2.024 57.440 55.300 0.194 0.000 1.311 111 M CB -1.625 31.061 32.600 0.143 0.000 0.421 111 M HN 0.216 nan 8.290 nan 0.000 0.563 112 A N 0.040 122.932 122.820 0.121 0.000 2.239 112 A HA 0.246 4.567 4.320 0.002 0.000 0.209 112 A C 1.888 179.541 177.584 0.115 0.000 1.171 112 A CA 1.251 53.374 52.037 0.143 0.000 0.768 112 A CB -0.532 18.643 19.000 0.291 0.000 0.790 112 A HN 0.511 nan 8.150 nan 0.000 0.478 113 V N 0.004 119.965 119.914 0.079 0.000 2.568 113 V HA -0.240 3.881 4.120 0.002 0.000 0.253 113 V C 2.611 178.699 176.094 -0.010 0.000 1.072 113 V CA 2.166 64.477 62.300 0.019 0.000 1.084 113 V CB -0.768 31.078 31.823 0.038 0.000 0.676 113 V HN 0.609 nan 8.190 nan 0.000 0.469 114 S N -0.326 115.392 115.700 0.030 0.000 2.387 114 S HA -0.260 4.211 4.470 0.002 0.000 0.230 114 S C 1.960 176.557 174.600 -0.006 0.000 1.035 114 S CA 1.541 59.755 58.200 0.023 0.000 1.014 114 S CB -0.280 62.937 63.200 0.028 0.000 0.836 114 S HN 0.647 nan 8.310 nan 0.000 0.466 115 K N 1.086 121.472 120.400 -0.024 0.000 2.097 115 K HA -0.004 4.318 4.320 0.002 0.000 0.206 115 K C 2.347 178.891 176.600 -0.094 0.000 1.049 115 K CA 1.419 57.681 56.287 -0.041 0.000 0.933 115 K CB -0.254 32.256 32.500 0.017 0.000 0.717 115 K HN 0.214 nan 8.250 nan 0.000 0.442 116 S N 1.508 117.063 115.700 -0.242 0.000 2.402 116 S HA -0.035 4.436 4.470 0.002 0.000 0.229 116 S C 1.919 176.427 174.600 -0.153 0.000 1.021 116 S CA 0.853 58.734 58.200 -0.531 0.000 0.974 116 S CB -0.177 62.273 63.200 -1.250 0.000 0.800 116 S HN 0.199 nan 8.310 nan 0.000 0.484 117 L N 0.436 121.642 121.223 -0.028 0.000 2.056 117 L HA -0.115 4.226 4.340 0.002 0.000 0.207 117 L C 2.750 179.713 176.870 0.155 0.000 1.078 117 L CA 0.858 55.768 54.840 0.117 0.000 0.749 117 L CB -0.842 41.299 42.059 0.137 0.000 0.901 117 L HN 0.450 nan 8.230 nan 0.000 0.433 118 C N 0.823 120.208 119.300 0.141 0.000 2.429 118 C HA -0.080 4.381 4.460 0.002 0.000 0.277 118 C C 2.936 178.009 174.990 0.138 0.000 1.262 118 C CA 0.969 60.097 59.018 0.183 0.000 1.733 118 C CB -1.246 26.530 27.740 0.060 0.000 2.010 118 C HN 0.648 nan 8.230 nan 0.000 0.483 119 G N -0.413 108.470 108.800 0.138 0.000 2.450 119 G HA2 -0.185 3.776 3.960 0.002 0.000 0.220 119 G HA3 -0.185 3.776 3.960 0.002 0.000 0.220 119 G C 1.747 176.820 174.900 0.287 0.000 1.130 119 G CA 1.653 46.904 45.100 0.250 0.000 0.760 119 G HN 0.568 nan 8.290 nan 0.000 0.557 120 T N 0.730 115.440 114.554 0.259 0.000 2.777 120 T HA -0.088 4.263 4.350 0.002 0.000 0.266 120 T C 2.558 177.231 174.700 -0.045 0.000 1.040 120 T CA 1.141 63.342 62.100 0.169 0.000 1.141 120 T CB -0.197 68.819 68.868 0.247 0.000 0.868 120 T HN 0.085 nan 8.240 nan 0.000 0.444 121 V N 1.325 121.249 119.914 0.017 0.000 2.343 121 V HA -0.143 3.979 4.120 0.002 0.000 0.247 121 V C 2.673 178.631 176.094 -0.226 0.000 1.051 121 V CA 1.247 63.511 62.300 -0.060 0.000 1.036 121 V CB -0.735 31.122 31.823 0.055 0.000 0.654 121 V HN 0.311 nan 8.190 nan 0.000 0.451 122 V N 1.056 120.870 119.914 -0.166 0.000 2.332 122 V HA -0.211 3.911 4.120 0.002 0.000 0.248 122 V C 2.663 178.445 176.094 -0.520 0.000 1.055 122 V CA 2.245 64.400 62.300 -0.241 0.000 1.038 122 V CB -1.475 30.306 31.823 -0.070 0.000 0.651 122 V HN 0.615 nan 8.190 nan 0.000 0.450 123 G N -0.437 107.810 108.800 -0.922 0.000 2.442 123 G HA2 -0.224 3.737 3.960 0.002 0.000 0.219 123 G HA3 -0.224 3.737 3.960 0.002 0.000 0.219 123 G C 1.763 176.115 174.900 -0.914 0.000 1.141 123 G CA 1.072 45.044 45.100 -1.881 0.000 0.763 123 G HN 0.621 nan 8.290 nan 0.000 0.554 124 A N 0.492 122.981 122.820 -0.552 0.000 1.902 124 A HA 0.098 4.419 4.320 0.002 0.000 0.217 124 A C 2.400 179.827 177.584 -0.263 0.000 1.181 124 A CA 1.266 53.134 52.037 -0.281 0.000 0.623 124 A CB -0.353 18.592 19.000 -0.092 0.000 0.818 124 A HN 0.365 nan 8.150 nan 0.000 0.443 125 L N -0.697 120.300 121.223 -0.377 0.000 2.240 125 L HA -0.084 4.258 4.340 0.002 0.000 0.211 125 L C 2.371 179.116 176.870 -0.208 0.000 1.106 125 L CA 0.416 55.071 54.840 -0.309 0.000 0.793 125 L CB -0.295 41.538 42.059 -0.377 0.000 0.927 125 L HN 0.225 nan 8.230 nan 0.000 0.446 126 V N -0.260 119.506 119.914 -0.247 0.000 2.358 126 V HA -0.283 3.839 4.120 0.002 0.000 0.246 126 V C 2.178 178.227 176.094 -0.075 0.000 1.047 126 V CA 1.976 64.195 62.300 -0.135 0.000 1.035 126 V CB -0.389 31.368 31.823 -0.110 0.000 0.658 126 V HN 0.435 nan 8.190 nan 0.000 0.452 127 D N 0.227 120.561 120.400 -0.111 0.000 2.178 127 D HA -0.170 4.472 4.640 0.002 0.000 0.201 127 D C 2.120 178.410 176.300 -0.017 0.000 0.980 127 D CA 1.171 55.146 54.000 -0.043 0.000 0.842 127 D CB -0.040 40.727 40.800 -0.055 0.000 0.948 127 D HN 0.541 nan 8.370 nan 0.000 0.472 128 E N -1.080 119.105 120.200 -0.027 0.000 2.481 128 E HA 0.138 4.489 4.350 0.002 0.000 0.195 128 E C 1.231 177.835 176.600 0.006 0.000 1.047 128 E CA 0.472 56.875 56.400 0.005 0.000 0.867 128 E CB 0.169 29.884 29.700 0.026 0.000 0.858 128 E HN 0.367 nan 8.360 nan 0.000 0.513 129 G N 1.846 110.644 108.800 -0.004 0.000 2.136 129 G HA2 -0.338 3.623 3.960 0.002 0.000 0.242 129 G HA3 -0.338 3.623 3.960 0.002 0.000 0.242 129 G C 0.824 175.736 174.900 0.019 0.000 0.989 129 G CA 0.452 45.560 45.100 0.014 0.000 0.682 129 G HN 0.254 nan 8.290 nan 0.000 0.522 130 R N -0.822 119.671 120.500 -0.011 0.000 2.254 130 R HA 0.418 4.759 4.340 0.002 0.000 0.195 130 R C 0.861 177.131 176.300 -0.050 0.000 0.957 130 R CA 0.566 56.661 56.100 -0.009 0.000 1.024 130 R CB 0.546 30.826 30.300 -0.035 0.000 0.952 130 R HN 0.483 nan 8.270 nan 0.000 0.484 131 I N 0.847 121.356 120.570 -0.103 0.000 2.498 131 I HA 0.152 4.323 4.170 0.002 0.000 0.290 131 I C -1.151 174.967 176.117 0.002 0.000 1.032 131 I CA -0.999 60.191 61.300 -0.183 0.000 1.073 131 I CB 2.283 40.087 38.000 -0.327 0.000 1.251 131 I HN -0.172 nan 8.210 nan 0.000 0.426 132 D N 8.351 128.841 120.400 0.149 0.000 2.427 132 D HA 0.330 4.972 4.640 0.002 0.000 0.226 132 D C -1.910 174.484 176.300 0.157 0.000 1.076 132 D CA -2.311 51.778 54.000 0.148 0.000 0.849 132 D CB 2.086 42.980 40.800 0.157 0.000 1.052 132 D HN 0.119 nan 8.370 nan 0.000 0.515 133 P HA -0.091 nan 4.420 nan 0.000 0.220 133 P C 0.828 178.192 177.300 0.106 0.000 1.144 133 P CA 0.928 64.100 63.100 0.121 0.000 0.800 133 P CB 0.289 32.071 31.700 0.138 0.000 0.772 134 A N -1.662 121.214 122.820 0.093 0.000 2.119 134 A HA -0.064 4.258 4.320 0.002 0.000 0.216 134 A C 1.347 178.968 177.584 0.062 0.000 1.152 134 A CA 0.714 52.790 52.037 0.065 0.000 0.708 134 A CB -0.577 18.453 19.000 0.049 0.000 0.805 134 A HN 0.114 nan 8.150 nan 0.000 0.460 135 Q N 0.514 120.370 119.800 0.094 0.000 2.354 135 Q HA 0.258 4.599 4.340 0.002 0.000 0.244 135 Q C -2.447 173.590 176.000 0.062 0.000 0.969 135 Q CA -2.078 53.760 55.803 0.058 0.000 0.885 135 Q CB 0.395 29.166 28.738 0.055 0.000 1.241 135 Q HN 0.268 nan 8.270 nan 0.000 0.461 136 P HA 0.016 nan 4.420 nan 0.000 0.274 136 P C 0.754 178.065 177.300 0.019 0.000 1.231 136 P CA -0.081 63.019 63.100 -0.001 0.000 0.790 136 P CB 0.756 32.431 31.700 -0.041 0.000 0.951 137 V N 2.085 122.027 119.914 0.046 0.000 2.380 137 V HA -0.265 3.856 4.120 0.002 0.000 0.251 137 V C 2.542 178.615 176.094 -0.034 0.000 1.063 137 V CA 3.031 65.360 62.300 0.048 0.000 1.055 137 V CB -2.052 29.781 31.823 0.017 0.000 0.657 137 V HN 0.732 nan 8.190 nan 0.000 0.455 138 T N -1.698 112.807 114.554 -0.081 0.000 3.051 138 T HA -0.175 4.176 4.350 0.002 0.000 0.269 138 T C 1.605 176.192 174.700 -0.189 0.000 1.127 138 T CA 1.309 63.328 62.100 -0.135 0.000 1.107 138 T CB -0.271 68.533 68.868 -0.106 0.000 0.898 138 T HN 0.506 nan 8.240 nan 0.000 0.517 139 E N 0.724 120.766 120.200 -0.263 0.000 2.204 139 E HA -0.110 4.241 4.350 0.002 0.000 0.195 139 E C 1.044 177.299 176.600 -0.575 0.000 0.990 139 E CA 1.290 57.409 56.400 -0.467 0.000 0.821 139 E CB -0.367 28.923 29.700 -0.683 0.000 0.750 139 E HN 0.786 nan 8.360 nan 0.000 0.477 140 Y N -1.629 118.595 120.300 -0.127 0.000 2.558 140 Y HA 0.315 4.866 4.550 0.002 0.000 0.273 140 Y C 0.393 176.158 175.900 -0.226 0.000 1.100 140 Y CA -0.046 57.969 58.100 -0.142 0.000 1.276 140 Y CB 1.041 39.428 38.460 -0.123 0.000 1.196 140 Y HN -0.193 nan 8.280 nan 0.000 0.527 141 V N 2.508 122.310 119.914 -0.186 0.000 2.266 141 V HA 0.224 4.346 4.120 0.002 0.000 0.266 141 V C -2.075 173.818 176.094 -0.336 0.000 1.036 141 V CA -1.394 60.648 62.300 -0.429 0.000 0.828 141 V CB 1.093 32.387 31.823 -0.882 0.000 1.081 141 V HN -0.001 nan 8.190 nan 0.000 0.449 142 P HA -0.123 nan 4.420 nan 0.000 0.219 142 P C 1.211 178.419 177.300 -0.153 0.000 1.146 142 P CA 1.025 64.026 63.100 -0.166 0.000 0.808 142 P CB 0.422 32.045 31.700 -0.127 0.000 0.779 143 E N -1.080 119.012 120.200 -0.180 0.000 2.472 143 E HA -0.028 4.323 4.350 0.002 0.000 0.200 143 E C 1.432 177.971 176.600 -0.100 0.000 1.046 143 E CA 0.458 56.799 56.400 -0.100 0.000 0.871 143 E CB -0.817 28.880 29.700 -0.004 0.000 0.806 143 E HN 0.281 nan 8.360 nan 0.000 0.533 144 L N 0.135 121.237 121.223 -0.201 0.000 2.591 144 L HA 0.227 4.568 4.340 0.002 0.000 0.228 144 L C 0.685 177.525 176.870 -0.049 0.000 1.133 144 L CA -0.555 54.214 54.840 -0.119 0.000 0.880 144 L CB -0.142 41.800 42.059 -0.194 0.000 1.033 144 L HN 0.018 nan 8.230 nan 0.000 0.450 145 A N -0.082 122.700 122.820 -0.064 0.000 2.531 145 A HA 0.350 4.672 4.320 0.002 0.000 0.236 145 A C 1.484 179.052 177.584 -0.028 0.000 1.062 145 A CA 0.793 52.803 52.037 -0.046 0.000 0.760 145 A CB -0.173 18.796 19.000 -0.052 0.000 0.995 145 A HN 0.581 nan 8.150 nan 0.000 0.501 146 G N 0.824 109.607 108.800 -0.028 0.000 2.199 146 G HA2 -0.180 3.781 3.960 0.002 0.000 0.254 146 G HA3 -0.180 3.781 3.960 0.002 0.000 0.254 146 G C 0.636 175.520 174.900 -0.026 0.000 0.982 146 G CA 1.151 46.236 45.100 -0.025 0.000 0.632 146 G HN 2.223 nan 8.290 nan 0.000 0.529 147 S N -1.452 114.237 115.700 -0.019 0.000 2.758 147 S HA 0.676 5.147 4.470 0.002 0.000 0.292 147 S C 1.286 175.840 174.600 -0.077 0.000 1.131 147 S CA 0.338 58.523 58.200 -0.025 0.000 0.997 147 S CB 1.856 65.083 63.200 0.046 0.000 1.111 147 S HN 1.218 nan 8.310 nan 0.000 0.552 148 V N 0.490 120.301 119.914 -0.172 0.000 2.867 148 V HA -0.051 4.070 4.120 0.002 0.000 0.260 148 V C 0.798 176.653 176.094 -0.399 0.000 1.099 148 V CA 1.416 63.528 62.300 -0.313 0.000 1.122 148 V CB -1.187 30.369 31.823 -0.446 0.000 0.708 148 V HN 0.824 nan 8.190 nan 0.000 0.490 149 Y N -0.477 119.775 120.300 -0.079 0.000 2.461 149 Y HA 0.295 4.847 4.550 0.002 0.000 0.277 149 Y C 0.828 176.679 175.900 -0.083 0.000 1.182 149 Y CA -0.346 57.704 58.100 -0.082 0.000 1.276 149 Y CB -0.022 38.383 38.460 -0.091 0.000 1.087 149 Y HN 0.242 nan 8.280 nan 0.000 0.519 150 D N 0.072 120.476 120.400 0.007 0.000 2.411 150 D HA 0.399 5.041 4.640 0.002 0.000 0.225 150 D C 0.974 177.254 176.300 -0.033 0.000 1.156 150 D CA 0.916 54.905 54.000 -0.019 0.000 0.874 150 D CB 0.517 41.298 40.800 -0.032 0.000 1.034 150 D HN 0.454 nan 8.370 nan 0.000 0.502 151 G N 4.684 113.470 108.800 -0.024 0.000 3.131 151 G HA2 -0.180 3.781 3.960 0.002 0.000 0.198 151 G HA3 -0.180 3.781 3.960 0.002 0.000 0.198 151 G C -1.954 172.937 174.900 -0.015 0.000 1.435 151 G CA -0.502 44.582 45.100 -0.028 0.000 1.016 151 G HN 0.544 nan 8.290 nan 0.000 0.499 152 P HA 0.425 nan 4.420 nan 0.000 0.268 152 P C 0.405 177.726 177.300 0.035 0.000 1.208 152 P CA 0.701 63.807 63.100 0.009 0.000 0.777 152 P CB 1.069 32.776 31.700 0.011 0.000 0.875 153 S N 0.348 116.070 115.700 0.037 0.000 2.652 153 S HA 0.154 4.625 4.470 0.002 0.000 0.270 153 S C 1.241 175.885 174.600 0.075 0.000 1.243 153 S CA -0.692 57.540 58.200 0.054 0.000 0.999 153 S CB 0.463 63.692 63.200 0.048 0.000 0.973 153 S HN 0.150 nan 8.310 nan 0.000 0.544 154 V N 1.242 121.213 119.914 0.095 0.000 2.407 154 V HA -0.130 3.991 4.120 0.002 0.000 0.248 154 V C 2.330 178.473 176.094 0.082 0.000 1.055 154 V CA 1.807 64.159 62.300 0.088 0.000 1.049 154 V CB -1.108 30.771 31.823 0.093 0.000 0.662 154 V HN 0.825 nan 8.190 nan 0.000 0.455 155 L N 0.040 121.313 121.223 0.084 0.000 2.083 155 L HA -0.193 4.148 4.340 0.002 0.000 0.209 155 L C 2.413 179.323 176.870 0.065 0.000 1.083 155 L CA 1.891 56.777 54.840 0.077 0.000 0.752 155 L CB -0.677 41.419 42.059 0.062 0.000 0.899 155 L HN 0.349 nan 8.230 nan 0.000 0.433 156 Q N -1.443 118.391 119.800 0.056 0.000 2.224 156 Q HA -0.134 4.208 4.340 0.002 0.000 0.203 156 Q C 2.130 178.156 176.000 0.044 0.000 0.970 156 Q CA 1.484 57.313 55.803 0.043 0.000 0.865 156 Q CB -0.089 28.665 28.738 0.027 0.000 0.922 156 Q HN 0.471 nan 8.270 nan 0.000 0.445 157 V N 0.934 120.886 119.914 0.063 0.000 2.307 157 V HA -0.255 3.866 4.120 0.002 0.000 0.245 157 V C 2.158 178.283 176.094 0.051 0.000 1.045 157 V CA 1.474 63.811 62.300 0.061 0.000 1.024 157 V CB -0.502 31.354 31.823 0.056 0.000 0.651 157 V HN 0.343 nan 8.190 nan 0.000 0.449 158 L N -0.004 121.268 121.223 0.081 0.000 2.079 158 L HA -0.207 4.134 4.340 0.002 0.000 0.210 158 L C 1.840 178.813 176.870 0.173 0.000 1.081 158 L CA 1.522 56.434 54.840 0.120 0.000 0.752 158 L CB -0.463 41.680 42.059 0.140 0.000 0.896 158 L HN 0.368 nan 8.230 nan 0.000 0.433 159 D N -1.114 119.375 120.400 0.149 0.000 2.349 159 D HA 0.069 4.710 4.640 0.002 0.000 0.214 159 D C 0.757 177.164 176.300 0.179 0.000 1.063 159 D CA 0.158 54.297 54.000 0.231 0.000 0.847 159 D CB 0.410 41.293 40.800 0.139 0.000 0.933 159 D HN 0.064 nan 8.370 nan 0.000 0.513 160 M N 0.233 119.837 119.600 0.006 0.000 2.297 160 M HA -0.250 4.231 4.480 0.002 0.000 0.200 160 M C -0.455 175.726 176.300 -0.198 0.000 0.414 160 M CA 0.718 55.876 55.300 -0.237 0.000 0.449 160 M CB -2.269 29.962 32.600 -0.616 0.000 1.436 160 M HN 0.172 nan 8.290 nan 0.000 0.912 161 Q N 0.183 119.939 119.800 -0.074 0.000 2.354 161 Q HA 0.563 4.904 4.340 0.002 0.000 0.372 161 Q C -0.271 175.687 176.000 -0.071 0.000 0.923 161 Q CA -0.018 55.759 55.803 -0.043 0.000 1.123 161 Q CB 0.805 29.558 28.738 0.026 0.000 1.298 161 Q HN 0.597 nan 8.270 nan 0.000 0.419 162 I N -0.038 120.454 120.570 -0.130 0.000 2.466 162 I HA 0.224 4.396 4.170 0.002 0.000 0.289 162 I C -0.117 175.895 176.117 -0.175 0.000 1.026 162 I CA -0.823 60.390 61.300 -0.144 0.000 1.078 162 I CB 2.214 40.109 38.000 -0.174 0.000 1.249 162 I HN -0.032 nan 8.210 nan 0.000 0.429 163 S N 7.005 122.619 115.700 -0.143 0.000 2.481 163 S HA 0.598 5.069 4.470 0.002 0.000 0.276 163 S C -0.534 173.974 174.600 -0.153 0.000 1.247 163 S CA -0.118 58.005 58.200 -0.129 0.000 1.053 163 S CB -0.116 63.031 63.200 -0.088 0.000 0.925 163 S HN 0.401 nan 8.310 nan 0.000 0.491 164 I N 3.386 123.871 120.570 -0.141 0.000 2.582 164 I HA 0.260 4.431 4.170 0.002 0.000 0.292 164 I C -0.672 175.420 176.117 -0.041 0.000 1.066 164 I CA -0.882 60.338 61.300 -0.133 0.000 1.053 164 I CB 2.088 39.979 38.000 -0.181 0.000 1.241 164 I HN 0.448 nan 8.210 nan 0.000 0.421 165 D N 5.535 125.919 120.400 -0.027 0.000 2.545 165 D HA 0.050 4.691 4.640 0.002 0.000 0.227 165 D C -1.364 174.989 176.300 0.089 0.000 1.150 165 D CA 0.616 54.623 54.000 0.012 0.000 1.046 165 D CB -0.277 40.513 40.800 -0.016 0.000 1.098 165 D HN 0.398 nan 8.370 nan 0.000 0.502 166 Y N 2.642 122.918 120.300 -0.040 0.000 2.301 166 Y HA 0.216 4.767 4.550 0.002 0.000 0.325 166 Y C -1.021 174.879 175.900 -0.001 0.000 1.103 166 Y CA -1.270 56.830 58.100 0.001 0.000 1.182 166 Y CB 0.755 39.215 38.460 0.001 0.000 1.139 166 Y HN 0.015 nan 8.280 nan 0.000 0.443 167 N N 4.350 123.074 118.700 0.040 0.000 2.415 167 N HA 0.038 4.779 4.740 0.002 0.000 0.250 167 N C -0.421 175.114 175.510 0.040 0.000 1.127 167 N CA 0.008 53.082 53.050 0.041 0.000 0.945 167 N CB 0.878 39.352 38.487 -0.021 0.000 1.196 167 N HN 0.756 nan 8.380 nan 0.000 0.499 168 E N 2.420 122.704 120.200 0.140 0.000 2.261 168 E HA 0.029 4.381 4.350 0.002 0.000 0.308 168 E C -1.115 175.287 176.600 -0.331 0.000 1.400 168 E CA -0.262 56.157 56.400 0.031 0.000 1.542 168 E CB -0.337 29.445 29.700 0.136 0.000 1.369 168 E HN 0.371 nan 8.360 nan 0.000 0.493 169 D N 1.111 121.364 120.400 -0.246 0.000 2.392 169 D HA 0.026 4.667 4.640 0.002 0.000 0.228 169 D C -0.218 175.992 176.300 -0.151 0.000 1.074 169 D CA -0.576 53.301 54.000 -0.205 0.000 0.838 169 D CB 0.506 41.276 40.800 -0.048 0.000 1.067 169 D HN 0.298 nan 8.370 nan 0.000 0.511 170 Y N 1.967 122.361 120.300 0.157 0.000 2.583 170 Y HA -0.016 4.536 4.550 0.002 0.000 0.293 170 Y C 2.000 177.990 175.900 0.151 0.000 1.157 170 Y CA 0.196 58.399 58.100 0.171 0.000 1.315 170 Y CB 0.063 38.641 38.460 0.196 0.000 1.021 170 Y HN 0.375 nan 8.280 nan 0.000 0.536 171 V N -4.266 115.783 119.914 0.225 0.000 3.556 171 V HA 0.208 4.330 4.120 0.002 0.000 0.287 171 V C 0.058 176.220 176.094 0.113 0.000 1.422 171 V CA -0.141 62.263 62.300 0.173 0.000 1.038 171 V CB 0.354 32.274 31.823 0.162 0.000 0.850 171 V HN -0.010 nan 8.190 nan 0.000 0.437 172 D N 3.214 123.666 120.400 0.086 0.000 2.336 172 D HA 0.294 4.936 4.640 0.002 0.000 0.249 172 D C -1.299 175.031 176.300 0.050 0.000 1.213 172 D CA -2.224 51.809 54.000 0.055 0.000 0.870 172 D CB 2.029 42.848 40.800 0.032 0.000 1.076 172 D HN 0.200 nan 8.370 nan 0.000 0.483 173 P HA -0.057 nan 4.420 nan 0.000 0.228 173 P C 0.593 177.910 177.300 0.029 0.000 1.151 173 P CA 0.484 63.610 63.100 0.044 0.000 0.770 173 P CB 0.294 32.019 31.700 0.042 0.000 0.786 174 A N -0.147 122.686 122.820 0.021 0.000 2.275 174 A HA 0.174 4.496 4.320 0.002 0.000 0.212 174 A C 1.249 178.830 177.584 -0.005 0.000 1.201 174 A CA 0.102 52.146 52.037 0.012 0.000 0.843 174 A CB -0.673 18.334 19.000 0.013 0.000 0.873 174 A HN 0.333 nan 8.150 nan 0.000 0.492 175 S N -0.461 115.230 115.700 -0.015 0.000 2.603 175 S HA 0.269 4.741 4.470 0.002 0.000 0.268 175 S C 0.512 175.048 174.600 -0.107 0.000 1.317 175 S CA -0.038 58.127 58.200 -0.058 0.000 1.012 175 S CB 0.928 64.094 63.200 -0.056 0.000 0.926 175 S HN 0.252 nan 8.310 nan 0.000 0.539 176 E N 0.400 120.460 120.200 -0.232 0.000 2.268 176 E HA -0.077 4.274 4.350 0.002 0.000 0.195 176 E C 1.884 178.238 176.600 -0.410 0.000 0.995 176 E CA 1.135 57.324 56.400 -0.351 0.000 0.836 176 E CB -0.602 28.686 29.700 -0.685 0.000 0.763 176 E HN 0.650 nan 8.360 nan 0.000 0.491 177 V N -1.030 118.682 119.914 -0.337 0.000 2.407 177 V HA -0.271 3.851 4.120 0.002 0.000 0.248 177 V C 1.839 177.965 176.094 0.053 0.000 1.055 177 V CA 1.575 63.875 62.300 -0.000 0.000 1.049 177 V CB -0.521 31.388 31.823 0.144 0.000 0.662 177 V HN 0.174 nan 8.190 nan 0.000 0.455 178 Q N 0.457 120.267 119.800 0.017 0.000 2.123 178 Q HA -0.104 4.238 4.340 0.002 0.000 0.199 178 Q C 2.412 178.398 176.000 -0.022 0.000 0.966 178 Q CA 2.033 57.858 55.803 0.037 0.000 0.845 178 Q CB -0.489 28.276 28.738 0.045 0.000 0.907 178 Q HN 0.731 nan 8.270 nan 0.000 0.439 179 T N 0.120 114.633 114.554 -0.069 0.000 2.746 179 T HA -0.189 4.162 4.350 0.002 0.000 0.267 179 T C 1.621 176.087 174.700 -0.389 0.000 1.039 179 T CA 1.433 63.461 62.100 -0.121 0.000 1.142 179 T CB -0.377 68.496 68.868 0.009 0.000 0.866 179 T HN 0.474 nan 8.240 nan 0.000 0.444 180 H N 0.779 119.402 119.070 -0.745 0.000 2.319 180 H HA -0.133 4.425 4.556 0.002 0.000 0.299 180 H C 1.969 177.077 175.328 -0.366 0.000 1.092 180 H CA 1.312 56.777 56.048 -0.972 0.000 1.302 180 H CB 0.117 29.636 29.762 -0.404 0.000 1.373 180 H HN 0.194 nan 8.280 nan 0.000 0.497 181 D N -0.022 120.339 120.400 -0.065 0.000 2.123 181 D HA -0.128 4.514 4.640 0.002 0.000 0.196 181 D C 2.361 178.623 176.300 -0.064 0.000 0.992 181 D CA 1.005 54.963 54.000 -0.070 0.000 0.833 181 D CB -0.183 40.674 40.800 0.095 0.000 0.954 181 D HN 0.398 nan 8.370 nan 0.000 0.455 182 R N 0.294 120.763 120.500 -0.051 0.000 2.092 182 R HA 0.012 4.353 4.340 0.002 0.000 0.231 182 R C 2.333 178.605 176.300 -0.048 0.000 1.119 182 R CA 0.965 57.045 56.100 -0.032 0.000 0.970 182 R CB -0.198 30.091 30.300 -0.018 0.000 0.864 182 R HN 0.045 nan 8.270 nan 0.000 0.440 183 S N 0.521 116.167 115.700 -0.090 0.000 2.423 183 S HA -0.070 4.401 4.470 0.002 0.000 0.231 183 S C 1.754 176.334 174.600 -0.033 0.000 1.014 183 S CA 1.206 59.374 58.200 -0.054 0.000 0.965 183 S CB 0.163 63.311 63.200 -0.087 0.000 0.785 183 S HN 0.452 nan 8.310 nan 0.000 0.495 184 A N -0.186 122.593 122.820 -0.068 0.000 2.303 184 A HA 0.575 4.897 4.320 0.002 0.000 0.217 184 A C 1.532 179.035 177.584 -0.135 0.000 1.205 184 A CA 0.657 52.628 52.037 -0.110 0.000 0.875 184 A CB -0.198 18.662 19.000 -0.232 0.000 0.910 184 A HN 0.793 nan 8.150 nan 0.000 0.501 185 G N -2.720 106.036 108.800 -0.074 0.000 2.159 185 G HA2 -0.254 3.707 3.960 0.002 0.000 0.227 185 G HA3 -0.254 3.707 3.960 0.002 0.000 0.227 185 G C 0.469 175.397 174.900 0.047 0.000 0.986 185 G CA 0.364 45.456 45.100 -0.013 0.000 0.651 185 G HN 0.375 nan 8.290 nan 0.000 0.523 186 W N 0.809 121.920 121.300 -0.315 0.000 2.584 186 W HA 0.424 5.086 4.660 0.002 0.000 0.264 186 W C 1.651 178.071 176.519 -0.165 0.000 1.264 186 W CA 0.680 57.849 57.345 -0.294 0.000 1.306 186 W CB 0.149 29.362 29.460 -0.411 0.000 1.110 186 W HN 0.230 nan 8.180 nan 0.000 0.606 187 R N -1.447 119.100 120.500 0.078 0.000 2.836 187 R HA 0.370 4.711 4.340 0.002 0.000 0.269 187 R C -0.308 176.002 176.300 0.016 0.000 1.010 187 R CA -0.791 55.331 56.100 0.036 0.000 0.930 187 R CB 1.313 31.645 30.300 0.055 0.000 1.218 187 R HN -0.406 nan 8.270 nan 0.000 0.473 188 T N 2.428 116.989 114.554 0.012 0.000 2.888 188 T HA 0.113 4.465 4.350 0.002 0.000 0.301 188 T C 0.316 175.028 174.700 0.019 0.000 1.001 188 T CA -0.004 62.104 62.100 0.013 0.000 1.147 188 T CB 0.226 69.102 68.868 0.014 0.000 0.931 188 T HN 0.206 nan 8.240 nan 0.000 0.541 189 R N 2.632 123.144 120.500 0.021 0.000 2.623 189 R HA 0.247 4.588 4.340 0.002 0.000 0.271 189 R C 0.539 176.862 176.300 0.039 0.000 1.043 189 R CA -0.017 56.098 56.100 0.025 0.000 1.083 189 R CB 0.583 30.898 30.300 0.026 0.000 0.974 189 R HN 0.517 nan 8.270 nan 0.000 0.436 190 R N 0.733 121.258 120.500 0.042 0.000 2.643 190 R HA 0.142 4.484 4.340 0.002 0.000 0.272 190 R C -0.292 176.058 176.300 0.084 0.000 0.995 190 R CA -1.016 55.124 56.100 0.066 0.000 1.032 190 R CB 0.841 31.176 30.300 0.059 0.000 1.126 190 R HN 0.544 nan 8.270 nan 0.000 0.505 191 H N -0.049 119.035 119.070 0.023 0.000 3.034 191 H HA 0.102 4.659 4.556 0.001 0.000 0.324 191 H C 1.136 176.481 175.328 0.028 0.000 1.015 191 H CA 2.020 58.083 56.048 0.024 0.000 1.429 191 H CB 0.396 30.171 29.762 0.021 0.000 1.429 191 H HN 0.817 nan 8.280 nan 0.000 0.585 192 G N 3.718 112.234 108.800 -0.473 0.000 2.175 192 G HA2 -0.263 3.699 3.960 0.002 0.000 0.244 192 G HA3 -0.263 3.699 3.960 0.002 0.000 0.244 192 G C 0.023 174.861 174.900 -0.104 0.000 0.982 192 G CA 0.116 45.034 45.100 -0.304 0.000 0.641 192 G HN 0.703 nan 8.290 nan 0.000 0.527 193 D N 1.677 122.043 120.400 -0.056 0.000 2.362 193 D HA 0.466 5.107 4.640 0.002 0.000 0.242 193 D C -1.725 174.585 176.300 0.017 0.000 1.132 193 D CA -0.895 53.108 54.000 0.004 0.000 0.907 193 D CB 0.652 41.460 40.800 0.013 0.000 1.195 193 D HN 0.123 nan 8.370 nan 0.000 0.429 194 P HA 0.088 nan 4.420 nan 0.000 0.269 194 P C -0.135 177.195 177.300 0.049 0.000 1.215 194 P CA -0.141 63.007 63.100 0.081 0.000 0.780 194 P CB 0.653 32.459 31.700 0.177 0.000 0.898 195 A N 2.050 124.893 122.820 0.038 0.000 1.968 195 A HA 0.006 4.327 4.320 0.002 0.000 0.217 195 A C 0.482 178.076 177.584 0.016 0.000 1.169 195 A CA 1.649 53.700 52.037 0.023 0.000 0.638 195 A CB -0.775 18.238 19.000 0.022 0.000 0.812 195 A HN 0.731 nan 8.150 nan 0.000 0.446 196 D N -5.644 114.766 120.400 0.015 0.000 2.677 196 D HA 0.336 4.977 4.640 0.002 0.000 0.298 196 D C 0.363 176.640 176.300 -0.038 0.000 1.250 196 D CA 0.116 54.097 54.000 -0.030 0.000 0.888 196 D CB -0.031 40.729 40.800 -0.066 0.000 1.397 196 D HN -0.205 nan 8.370 nan 0.000 0.461 197 T N -0.986 113.483 114.554 -0.142 0.000 2.821 197 T HA -0.112 4.240 4.350 0.002 0.000 0.267 197 T C 1.293 175.878 174.700 -0.192 0.000 1.046 197 T CA 1.380 63.435 62.100 -0.075 0.000 1.139 197 T CB -0.593 68.284 68.868 0.014 0.000 0.871 197 T HN 0.377 nan 8.240 nan 0.000 0.454 198 Y N 1.614 121.631 120.300 -0.471 0.000 2.128 198 Y HA -0.110 4.442 4.550 0.002 0.000 0.284 198 Y C 2.611 178.362 175.900 -0.248 0.000 1.154 198 Y CA 0.942 58.581 58.100 -0.768 0.000 1.149 198 Y CB -0.571 37.173 38.460 -1.194 0.000 0.976 198 Y HN 0.296 nan 8.280 nan 0.000 0.505 199 E N -0.253 119.978 120.200 0.051 0.000 2.077 199 E HA -0.245 4.106 4.350 0.002 0.000 0.193 199 E C 2.071 178.745 176.600 0.123 0.000 0.989 199 E CA 1.173 57.633 56.400 0.101 0.000 0.800 199 E CB -0.396 29.355 29.700 0.084 0.000 0.746 199 E HN 0.425 nan 8.360 nan 0.000 0.452 200 F N 1.455 121.405 119.950 0.001 0.000 2.126 200 F HA -0.186 4.342 4.527 0.002 0.000 0.299 200 F C 1.835 177.656 175.800 0.035 0.000 1.096 200 F CA 1.404 59.407 58.000 0.004 0.000 1.255 200 F CB -0.260 38.725 39.000 -0.025 0.000 0.997 200 F HN 0.001 nan 8.300 nan 0.000 0.479 201 L N 0.084 121.261 121.223 -0.076 0.000 2.083 201 L HA -0.216 4.126 4.340 0.002 0.000 0.209 201 L C 2.552 179.422 176.870 0.000 0.000 1.083 201 L CA 1.819 56.607 54.840 -0.087 0.000 0.752 201 L CB -1.408 40.755 42.059 0.172 0.000 0.899 201 L HN 0.356 nan 8.230 nan 0.000 0.433 202 T N -4.423 110.185 114.554 0.089 0.000 3.051 202 T HA -0.126 4.226 4.350 0.002 0.000 0.269 202 T C 1.675 176.372 174.700 -0.005 0.000 1.127 202 T CA 1.251 63.407 62.100 0.093 0.000 1.107 202 T CB -0.611 68.339 68.868 0.138 0.000 0.898 202 T HN 0.477 nan 8.240 nan 0.000 0.517 203 T N -0.305 114.190 114.554 -0.099 0.000 3.081 203 T HA 0.339 4.690 4.350 0.002 0.000 0.255 203 T C 0.665 175.274 174.700 -0.151 0.000 1.113 203 T CA -0.393 61.638 62.100 -0.115 0.000 1.082 203 T CB -0.568 68.229 68.868 -0.118 0.000 0.939 203 T HN 0.392 nan 8.240 nan 0.000 0.506 204 L N 2.108 123.216 121.223 -0.191 0.000 2.397 204 L HA 0.502 4.844 4.340 0.002 0.000 0.271 204 L C 0.604 177.396 176.870 -0.130 0.000 1.148 204 L CA -0.659 54.079 54.840 -0.169 0.000 0.825 204 L CB 0.503 42.470 42.059 -0.154 0.000 1.117 204 L HN 0.103 nan 8.230 nan 0.000 0.456 205 R N 1.559 121.988 120.500 -0.118 0.000 2.867 205 R HA 0.834 5.176 4.340 0.002 0.000 0.268 205 R C -0.383 175.845 176.300 -0.121 0.000 1.014 205 R CA -0.845 55.188 56.100 -0.112 0.000 0.946 205 R CB 2.036 32.291 30.300 -0.074 0.000 1.208 205 R HN 0.785 nan 8.270 nan 0.000 0.477 206 G N -0.434 108.294 108.800 -0.119 0.000 2.649 206 G HA2 0.233 4.194 3.960 0.002 0.000 0.290 206 G HA3 0.233 4.194 3.960 0.002 0.000 0.290 206 G C -0.549 174.300 174.900 -0.086 0.000 1.426 206 G CA -0.520 44.514 45.100 -0.110 0.000 0.794 206 G HN 0.496 nan 8.290 nan 0.000 0.483 207 D N -1.702 118.655 120.400 -0.072 0.000 2.355 207 D HA 0.280 4.921 4.640 0.002 0.000 0.218 207 D C 1.661 177.927 176.300 -0.057 0.000 1.004 207 D CA 1.190 55.157 54.000 -0.055 0.000 0.880 207 D CB 0.166 40.941 40.800 -0.042 0.000 0.911 207 D HN 1.715 nan 8.370 nan 0.000 0.528 208 G N -0.119 108.637 108.800 -0.074 0.000 2.213 208 G HA2 -0.256 3.705 3.960 0.002 0.000 0.226 208 G HA3 -0.256 3.705 3.960 0.002 0.000 0.226 208 G C 0.397 175.260 174.900 -0.062 0.000 0.992 208 G CA 0.246 45.304 45.100 -0.070 0.000 0.632 208 G HN 0.833 nan 8.290 nan 0.000 0.511 209 S N 0.469 116.135 115.700 -0.057 0.000 2.592 209 S HA 0.724 5.195 4.470 0.002 0.000 0.271 209 S C 0.241 174.809 174.600 -0.054 0.000 1.326 209 S CA 0.967 59.140 58.200 -0.045 0.000 1.024 209 S CB 1.884 65.063 63.200 -0.034 0.000 0.921 209 S HN 1.744 nan 8.310 nan 0.000 0.527 210 T N -2.806 111.725 114.554 -0.038 0.000 2.841 210 T HA 0.791 5.143 4.350 0.002 0.000 0.296 210 T C 0.754 175.446 174.700 -0.014 0.000 1.166 210 T CA -0.259 61.820 62.100 -0.036 0.000 1.007 210 T CB 1.065 69.913 68.868 -0.032 0.000 1.253 210 T HN 1.941 nan 8.240 nan 0.000 0.511 211 G N 0.074 108.872 108.800 -0.004 0.000 2.259 211 G HA2 -0.173 3.789 3.960 0.002 0.000 0.217 211 G HA3 -0.173 3.789 3.960 0.002 0.000 0.217 211 G C -0.106 174.818 174.900 0.040 0.000 1.001 211 G CA 0.205 45.316 45.100 0.019 0.000 0.627 211 G HN 1.062 nan 8.290 nan 0.000 0.501 212 E N 0.003 120.222 120.200 0.032 0.000 2.204 212 E HA 0.586 4.937 4.350 0.002 0.000 0.276 212 E C -0.465 176.179 176.600 0.072 0.000 0.974 212 E CA -1.204 55.235 56.400 0.065 0.000 0.815 212 E CB 0.736 30.464 29.700 0.048 0.000 1.119 212 E HN 0.177 nan 8.360 nan 0.000 0.393 213 F N 3.740 123.670 119.950 -0.034 0.000 2.578 213 F HA 0.044 4.573 4.527 0.003 0.000 0.381 213 F C -0.267 175.485 175.800 -0.079 0.000 1.069 213 F CA 0.592 58.539 58.000 -0.088 0.000 1.231 213 F CB 0.461 39.407 39.000 -0.090 0.000 1.086 213 F HN 0.408 nan 8.300 nan 0.000 0.564 214 Q N 6.758 126.099 119.800 -0.764 0.000 2.294 214 Q HA 0.155 4.497 4.340 0.002 0.000 0.264 214 Q C -1.796 173.627 176.000 -0.961 0.000 0.992 214 Q CA -0.940 54.434 55.803 -0.714 0.000 0.747 214 Q CB 1.065 29.601 28.738 -0.338 0.000 1.262 214 Q HN 0.769 nan 8.270 nan 0.000 0.452 215 Y N 3.138 122.745 120.300 -1.154 0.000 2.569 215 Y HA 0.223 4.775 4.550 0.002 0.000 0.332 215 Y C -0.828 174.818 175.900 -0.423 0.000 1.120 215 Y CA 0.413 58.048 58.100 -0.775 0.000 1.416 215 Y CB 0.619 38.894 38.460 -0.309 0.000 1.210 215 Y HN 0.678 nan 8.280 nan 0.000 0.528 216 C N 5.895 124.724 119.300 -0.784 0.000 2.505 216 C HA 0.316 4.777 4.460 0.002 0.000 0.342 216 C C 1.081 175.656 174.990 -0.692 0.000 1.121 216 C CA -0.436 58.174 59.018 -0.679 0.000 1.306 216 C CB 0.276 27.656 27.740 -0.601 0.000 1.897 216 C HN 1.011 nan 8.230 nan 0.000 0.446 217 S N 2.805 118.189 115.700 -0.526 0.000 2.442 217 S HA -0.106 4.366 4.470 0.002 0.000 0.236 217 S C 1.985 176.504 174.600 -0.136 0.000 1.007 217 S CA 1.466 59.500 58.200 -0.276 0.000 0.965 217 S CB 0.007 63.196 63.200 -0.018 0.000 0.773 217 S HN 1.025 nan 8.310 nan 0.000 0.504 218 A N 2.285 124.987 122.820 -0.198 0.000 2.019 218 A HA -0.142 4.179 4.320 0.002 0.000 0.219 218 A C 1.883 179.418 177.584 -0.082 0.000 1.164 218 A CA 1.446 53.458 52.037 -0.041 0.000 0.644 218 A CB -0.576 18.403 19.000 -0.035 0.000 0.805 218 A HN 0.433 nan 8.150 nan 0.000 0.449 219 N N -0.017 118.603 118.700 -0.133 0.000 2.104 219 N HA -0.107 4.634 4.740 0.002 0.000 0.190 219 N C 1.657 177.081 175.510 -0.144 0.000 1.024 219 N CA 2.019 55.006 53.050 -0.106 0.000 0.853 219 N CB -0.746 37.666 38.487 -0.124 0.000 1.008 219 N HN 0.502 nan 8.380 nan 0.000 0.424 220 T N 0.585 115.042 114.554 -0.162 0.000 2.867 220 T HA -0.062 4.290 4.350 0.002 0.000 0.268 220 T C 0.972 175.573 174.700 -0.165 0.000 1.057 220 T CA 1.061 63.066 62.100 -0.158 0.000 1.136 220 T CB -0.210 68.544 68.868 -0.190 0.000 0.874 220 T HN 0.180 nan 8.240 nan 0.000 0.466 221 D N 0.817 121.145 120.400 -0.121 0.000 2.183 221 D HA -0.011 4.630 4.640 0.002 0.000 0.203 221 D C 2.193 178.564 176.300 0.119 0.000 0.969 221 D CA 0.364 54.363 54.000 -0.002 0.000 0.842 221 D CB -0.431 40.442 40.800 0.122 0.000 0.957 221 D HN 0.188 nan 8.370 nan 0.000 0.484 222 V N 0.941 120.836 119.914 -0.031 0.000 2.343 222 V HA -0.216 3.905 4.120 0.002 0.000 0.247 222 V C 2.557 178.642 176.094 -0.015 0.000 1.051 222 V CA 1.123 63.376 62.300 -0.077 0.000 1.036 222 V CB -0.448 31.055 31.823 -0.534 0.000 0.654 222 V HN 0.234 nan 8.190 nan 0.000 0.451 223 L N 0.102 121.289 121.223 -0.061 0.000 2.042 223 L HA -0.183 4.158 4.340 0.002 0.000 0.210 223 L C 2.728 179.591 176.870 -0.012 0.000 1.076 223 L CA 1.673 56.485 54.840 -0.046 0.000 0.749 223 L CB -0.823 41.204 42.059 -0.053 0.000 0.893 223 L HN 0.375 nan 8.230 nan 0.000 0.432 224 A N -0.822 121.961 122.820 -0.062 0.000 1.930 224 A HA -0.248 4.073 4.320 0.002 0.000 0.217 224 A C 2.065 179.838 177.584 0.316 0.000 1.175 224 A CA 1.203 53.161 52.037 -0.132 0.000 0.627 224 A CB -0.866 17.723 19.000 -0.685 0.000 0.815 224 A HN 0.624 nan 8.150 nan 0.000 0.443 225 W N 0.896 122.304 121.300 0.180 0.000 2.358 225 W HA -0.126 4.535 4.660 0.002 0.000 0.303 225 W C 1.839 178.412 176.519 0.089 0.000 1.208 225 W CA 1.289 58.735 57.345 0.169 0.000 1.274 225 W CB -0.744 28.759 29.460 0.072 0.000 1.138 225 W HN 0.341 nan 8.180 nan 0.000 0.515 226 I N -0.178 120.505 120.570 0.189 0.000 2.208 226 I HA -0.342 3.829 4.170 0.002 0.000 0.245 226 I C 2.284 178.413 176.117 0.021 0.000 1.097 226 I CA 1.423 62.725 61.300 0.004 0.000 1.363 226 I CB -1.059 36.866 38.000 -0.126 0.000 1.051 226 I HN -0.300 nan 8.210 nan 0.000 0.413 227 V N 0.807 120.761 119.914 0.067 0.000 2.332 227 V HA -0.304 3.817 4.120 0.002 0.000 0.248 227 V C 2.382 178.565 176.094 0.149 0.000 1.055 227 V CA 2.007 64.349 62.300 0.069 0.000 1.038 227 V CB -0.666 31.254 31.823 0.162 0.000 0.651 227 V HN 0.461 nan 8.190 nan 0.000 0.450 228 E N -0.513 119.851 120.200 0.273 0.000 2.077 228 E HA -0.187 4.165 4.350 0.002 0.000 0.193 228 E C 2.506 179.233 176.600 0.211 0.000 0.989 228 E CA 0.803 57.375 56.400 0.287 0.000 0.800 228 E CB -0.159 29.783 29.700 0.403 0.000 0.746 228 E HN 0.381 nan 8.360 nan 0.000 0.452 229 R N 0.444 121.068 120.500 0.208 0.000 2.115 229 R HA -0.056 4.285 4.340 0.002 0.000 0.230 229 R C 2.229 178.586 176.300 0.095 0.000 1.111 229 R CA 0.644 56.825 56.100 0.135 0.000 0.976 229 R CB -0.504 29.856 30.300 0.100 0.000 0.870 229 R HN 0.131 nan 8.270 nan 0.000 0.445 230 V N 0.456 120.410 119.914 0.066 0.000 2.788 230 V HA -0.103 4.019 4.120 0.002 0.000 0.251 230 V C 2.172 178.296 176.094 0.049 0.000 1.068 230 V CA 1.982 64.305 62.300 0.038 0.000 1.090 230 V CB -0.187 31.596 31.823 -0.066 0.000 0.710 230 V HN 0.471 nan 8.190 nan 0.000 0.467 231 T N -3.877 110.719 114.554 0.070 0.000 3.023 231 T HA 0.299 4.650 4.350 0.002 0.000 0.249 231 T C 1.681 176.446 174.700 0.108 0.000 1.050 231 T CA 0.991 63.153 62.100 0.105 0.000 1.088 231 T CB 0.768 69.727 68.868 0.151 0.000 0.946 231 T HN 0.826 nan 8.240 nan 0.000 0.480 232 G N 1.545 110.408 108.800 0.106 0.000 2.184 232 G HA2 -0.206 3.756 3.960 0.002 0.000 0.264 232 G HA3 -0.206 3.756 3.960 0.002 0.000 0.264 232 G C -0.071 174.891 174.900 0.104 0.000 0.975 232 G CA 0.386 45.541 45.100 0.092 0.000 0.642 232 G HN 0.651 nan 8.290 nan 0.000 0.536 233 L N 0.408 121.712 121.223 0.135 0.000 2.325 233 L HA 0.526 4.867 4.340 0.002 0.000 0.279 233 L C 1.322 178.295 176.870 0.170 0.000 1.054 233 L CA -1.192 53.731 54.840 0.137 0.000 0.804 233 L CB 0.938 43.090 42.059 0.155 0.000 1.200 233 L HN 0.091 nan 8.230 nan 0.000 0.436 234 R N 0.666 121.254 120.500 0.147 0.000 2.638 234 R HA -0.121 4.220 4.340 0.002 0.000 0.268 234 R C 0.616 177.041 176.300 0.209 0.000 1.006 234 R CA 0.078 56.291 56.100 0.189 0.000 1.088 234 R CB 0.256 30.631 30.300 0.126 0.000 0.950 234 R HN 0.509 nan 8.270 nan 0.000 0.419 235 Y N 3.353 123.750 120.300 0.162 0.000 2.207 235 Y HA -0.258 4.293 4.550 0.002 0.000 0.287 235 Y C 1.792 177.719 175.900 0.045 0.000 1.156 235 Y CA 1.807 59.962 58.100 0.093 0.000 1.182 235 Y CB -0.096 38.365 38.460 0.001 0.000 0.979 235 Y HN 0.397 nan 8.280 nan 0.000 0.521 236 V N 0.514 120.385 119.914 -0.072 0.000 2.324 236 V HA -0.342 3.779 4.120 0.002 0.000 0.250 236 V C 2.383 178.405 176.094 -0.120 0.000 1.060 236 V CA 2.399 64.617 62.300 -0.138 0.000 1.042 236 V CB -0.715 31.105 31.823 -0.005 0.000 0.650 236 V HN 0.507 nan 8.190 nan 0.000 0.450 237 E N 0.000 120.184 120.200 -0.027 0.000 2.112 237 E HA -0.122 4.229 4.350 0.002 0.000 0.190 237 E C 2.240 178.850 176.600 0.017 0.000 0.979 237 E CA 0.992 57.400 56.400 0.013 0.000 0.814 237 E CB -0.206 29.527 29.700 0.055 0.000 0.762 237 E HN 0.550 nan 8.360 nan 0.000 0.460 238 A N 1.156 123.992 122.820 0.027 0.000 1.902 238 A HA -0.165 4.156 4.320 0.002 0.000 0.217 238 A C 2.127 179.753 177.584 0.071 0.000 1.181 238 A CA 1.221 53.348 52.037 0.150 0.000 0.623 238 A CB -0.643 18.452 19.000 0.158 0.000 0.818 238 A HN 0.393 nan 8.150 nan 0.000 0.443 239 L N -0.238 120.840 121.223 -0.241 0.000 2.083 239 L HA -0.094 4.248 4.340 0.002 0.000 0.209 239 L C 2.585 179.467 176.870 0.020 0.000 1.083 239 L CA 2.470 57.180 54.840 -0.217 0.000 0.752 239 L CB -0.671 41.086 42.059 -0.503 0.000 0.899 239 L HN 0.370 nan 8.230 nan 0.000 0.433 240 S N -1.842 113.869 115.700 0.020 0.000 2.345 240 S HA -0.168 4.304 4.470 0.002 0.000 0.219 240 S C 1.914 176.566 174.600 0.086 0.000 1.031 240 S CA 1.738 60.007 58.200 0.114 0.000 0.984 240 S CB -0.430 62.817 63.200 0.077 0.000 0.874 240 S HN 0.605 nan 8.310 nan 0.000 0.451 241 T N 0.367 114.932 114.554 0.018 0.000 2.746 241 T HA -0.023 4.329 4.350 0.002 0.000 0.267 241 T C 1.233 175.807 174.700 -0.210 0.000 1.039 241 T CA 1.535 63.561 62.100 -0.124 0.000 1.142 241 T CB -0.392 68.337 68.868 -0.232 0.000 0.866 241 T HN 0.551 nan 8.240 nan 0.000 0.444 242 Y N -0.598 119.710 120.300 0.013 0.000 2.510 242 Y HA 0.365 4.916 4.550 0.002 0.000 0.273 242 Y C 1.601 177.513 175.900 0.020 0.000 1.119 242 Y CA -0.025 58.077 58.100 0.004 0.000 1.286 242 Y CB 0.281 38.734 38.460 -0.012 0.000 1.061 242 Y HN 0.104 nan 8.280 nan 0.000 0.542 243 L N -2.624 118.706 121.223 0.178 0.000 2.932 243 L HA 0.127 4.468 4.340 0.002 0.000 0.168 243 L C 1.708 178.669 176.870 0.151 0.000 1.125 243 L CA 0.532 55.472 54.840 0.166 0.000 0.868 243 L CB -0.898 41.294 42.059 0.222 0.000 1.496 243 L HN 0.202 nan 8.230 nan 0.000 0.519 244 W N 1.177 122.488 121.300 0.017 0.000 2.363 244 W HA -0.125 4.536 4.660 0.003 0.000 0.296 244 W C 1.867 178.391 176.519 0.008 0.000 1.212 244 W CA 1.888 59.242 57.345 0.015 0.000 1.260 244 W CB 0.030 29.494 29.460 0.006 0.000 1.131 244 W HN 0.412 nan 8.180 nan 0.000 0.530 245 A N 0.143 123.026 122.820 0.105 0.000 2.209 245 A HA -0.115 4.207 4.320 0.002 0.000 0.212 245 A C 1.735 179.288 177.584 -0.051 0.000 1.158 245 A CA 1.011 53.060 52.037 0.022 0.000 0.742 245 A CB -0.418 18.606 19.000 0.040 0.000 0.790 245 A HN 0.302 nan 8.150 nan 0.000 0.472 246 K N -0.563 119.795 120.400 -0.069 0.000 2.374 246 K HA 0.310 4.631 4.320 0.002 0.000 0.196 246 K C 0.904 177.434 176.600 -0.118 0.000 1.023 246 K CA -0.007 56.236 56.287 -0.074 0.000 1.103 246 K CB 0.148 32.623 32.500 -0.042 0.000 0.848 246 K HN 0.417 nan 8.250 nan 0.000 0.528 247 L N 0.659 121.753 121.223 -0.215 0.000 2.492 247 L HA 0.002 4.344 4.340 0.002 0.000 0.223 247 L C 0.099 176.835 176.870 -0.223 0.000 1.132 247 L CA 0.150 54.828 54.840 -0.270 0.000 0.850 247 L CB -0.323 41.424 42.059 -0.519 0.000 0.966 247 L HN 0.246 nan 8.230 nan 0.000 0.454 248 D N 0.969 121.257 120.400 -0.186 0.000 2.697 248 D HA -0.171 4.470 4.640 0.002 0.000 0.238 248 D C 0.282 176.487 176.300 -0.157 0.000 1.152 248 D CA 0.645 54.565 54.000 -0.133 0.000 0.666 248 D CB -0.428 40.320 40.800 -0.087 0.000 1.037 248 D HN 0.346 nan 8.370 nan 0.000 0.423 249 A N 0.531 123.206 122.820 -0.242 0.000 2.386 249 A HA 0.311 4.633 4.320 0.002 0.000 0.248 249 A C 1.365 178.921 177.584 -0.046 0.000 1.082 249 A CA 0.188 52.094 52.037 -0.218 0.000 0.789 249 A CB 0.519 19.259 19.000 -0.434 0.000 1.025 249 A HN 0.267 nan 8.150 nan 0.000 0.490 250 D N 0.381 120.787 120.400 0.009 0.000 2.123 250 D HA -0.021 4.620 4.640 0.002 0.000 0.200 250 D C 0.551 176.897 176.300 0.076 0.000 0.976 250 D CA 1.341 55.363 54.000 0.036 0.000 0.831 250 D CB 0.148 40.971 40.800 0.037 0.000 0.974 250 D HN 0.546 nan 8.370 nan 0.000 0.469 251 R N 0.634 121.226 120.500 0.152 0.000 2.837 251 R HA 0.253 4.594 4.340 0.002 0.000 0.271 251 R C -0.834 175.667 176.300 0.335 0.000 0.993 251 R CA -0.860 55.345 56.100 0.175 0.000 0.931 251 R CB 1.501 31.877 30.300 0.126 0.000 1.206 251 R HN -0.147 nan 8.270 nan 0.000 0.474 252 D N 1.027 121.563 120.400 0.227 0.000 2.419 252 D HA 0.121 4.763 4.640 0.002 0.000 0.236 252 D C 0.093 176.406 176.300 0.021 0.000 1.165 252 D CA 0.571 54.684 54.000 0.188 0.000 0.882 252 D CB 0.676 41.507 40.800 0.052 0.000 1.201 252 D HN 0.540 nan 8.370 nan 0.000 0.443 253 A N 1.128 123.666 122.820 -0.470 0.000 2.246 253 A HA 0.660 4.982 4.320 0.002 0.000 0.291 253 A C 0.378 177.754 177.584 -0.347 0.000 1.103 253 A CA -0.367 51.291 52.037 -0.633 0.000 0.844 253 A CB 0.613 18.760 19.000 -1.421 0.000 1.136 253 A HN 0.596 nan 8.150 nan 0.000 0.500 254 T N -1.866 112.538 114.554 -0.250 0.000 2.916 254 T HA 0.697 5.049 4.350 0.002 0.000 0.292 254 T C -0.623 174.009 174.700 -0.112 0.000 1.064 254 T CA -0.478 61.535 62.100 -0.145 0.000 1.011 254 T CB 1.232 70.049 68.868 -0.084 0.000 1.152 254 T HN 0.973 nan 8.240 nan 0.000 0.510 255 I N 1.836 122.375 120.570 -0.052 0.000 2.656 255 I HA 0.466 4.638 4.170 0.002 0.000 0.292 255 I C 0.080 176.230 176.117 0.057 0.000 1.144 255 I CA -0.697 60.612 61.300 0.015 0.000 1.038 255 I CB 2.344 40.347 38.000 0.005 0.000 1.244 255 I HN 1.115 nan 8.210 nan 0.000 0.420 256 T N 4.640 119.273 114.554 0.130 0.000 2.926 256 T HA 0.480 4.832 4.350 0.002 0.000 0.307 256 T C -0.100 174.658 174.700 0.097 0.000 1.059 256 T CA -0.400 61.778 62.100 0.129 0.000 1.122 256 T CB 1.076 70.103 68.868 0.266 0.000 0.972 256 T HN 0.564 nan 8.240 nan 0.000 0.545 257 V N -0.040 119.910 119.914 0.060 0.000 2.914 257 V HA 0.718 4.840 4.120 0.002 0.000 0.314 257 V C -0.301 175.813 176.094 0.033 0.000 1.084 257 V CA -1.274 61.053 62.300 0.046 0.000 0.963 257 V CB 1.727 33.590 31.823 0.067 0.000 1.025 257 V HN 1.082 nan 8.190 nan 0.000 0.432 258 D N 1.191 121.611 120.400 0.034 0.000 2.478 258 D HA 0.216 4.857 4.640 0.002 0.000 0.274 258 D C 1.321 177.638 176.300 0.029 0.000 1.234 258 D CA 0.407 54.417 54.000 0.018 0.000 1.069 258 D CB 0.390 41.197 40.800 0.012 0.000 1.113 258 D HN 0.813 nan 8.370 nan 0.000 0.571 259 T N -4.478 110.087 114.554 0.018 0.000 3.098 259 T HA -0.098 4.254 4.350 0.002 0.000 0.266 259 T C 1.499 176.215 174.700 0.026 0.000 1.145 259 T CA 1.354 63.471 62.100 0.028 0.000 1.092 259 T CB -0.991 67.891 68.868 0.025 0.000 0.908 259 T HN 0.597 nan 8.240 nan 0.000 0.526 260 T N -2.707 111.859 114.554 0.019 0.000 3.086 260 T HA 0.499 4.851 4.350 0.002 0.000 0.250 260 T C 1.803 176.527 174.700 0.040 0.000 1.074 260 T CA 0.445 62.558 62.100 0.021 0.000 0.988 260 T CB -0.192 68.694 68.868 0.030 0.000 0.988 260 T HN 0.819 nan 8.240 nan 0.000 0.530 261 G N 1.098 109.937 108.800 0.066 0.000 2.157 261 G HA2 -0.208 3.754 3.960 0.002 0.000 0.239 261 G HA3 -0.208 3.754 3.960 0.002 0.000 0.239 261 G C -0.231 174.755 174.900 0.143 0.000 0.982 261 G CA -0.146 45.008 45.100 0.089 0.000 0.650 261 G HN 0.619 nan 8.290 nan 0.000 0.527 262 F N 2.837 122.749 119.950 -0.063 0.000 2.472 262 F HA 0.576 5.105 4.527 0.003 0.000 0.364 262 F C 0.992 176.780 175.800 -0.019 0.000 1.090 262 F CA -0.430 57.509 58.000 -0.102 0.000 1.188 262 F CB 0.650 39.382 39.000 -0.447 0.000 1.105 262 F HN 0.271 nan 8.300 nan 0.000 0.536 263 G N 5.467 114.035 108.800 -0.386 0.000 2.441 263 G HA2 0.074 4.035 3.960 0.002 0.000 0.243 263 G HA3 0.074 4.035 3.960 0.002 0.000 0.243 263 G C -0.892 173.723 174.900 -0.474 0.000 1.281 263 G CA -0.549 44.406 45.100 -0.242 0.000 0.854 263 G HN 0.672 nan 8.290 nan 0.000 0.560 264 F N 3.566 123.311 119.950 -0.342 0.000 2.652 264 F HA 0.393 4.921 4.527 0.002 0.000 0.352 264 F C 1.536 177.149 175.800 -0.312 0.000 1.259 264 F CA -0.965 56.810 58.000 -0.374 0.000 1.249 264 F CB 0.264 39.065 39.000 -0.333 0.000 1.628 264 F HN 0.504 nan 8.300 nan 0.000 0.654 265 A N 3.210 125.724 122.820 -0.511 0.000 2.019 265 A HA -0.258 4.063 4.320 0.002 0.000 0.219 265 A C 2.049 179.418 177.584 -0.359 0.000 1.164 265 A CA 1.771 53.559 52.037 -0.416 0.000 0.644 265 A CB -0.842 17.686 19.000 -0.787 0.000 0.805 265 A HN 0.779 nan 8.150 nan 0.000 0.449 266 N N -1.825 116.525 118.700 -0.585 0.000 2.457 266 N HA 0.216 4.957 4.740 0.002 0.000 0.180 266 N C 0.962 176.248 175.510 -0.375 0.000 1.050 266 N CA 1.536 54.298 53.050 -0.481 0.000 0.906 266 N CB -0.046 38.092 38.487 -0.581 0.000 0.968 266 N HN 0.271 nan 8.380 nan 0.000 0.445 267 G N -2.176 106.377 108.800 -0.412 0.000 3.912 267 G HA2 0.200 4.162 3.960 0.002 0.000 0.203 267 G HA3 0.200 4.162 3.960 0.002 0.000 0.203 267 G C 0.617 175.704 174.900 0.312 0.000 1.112 267 G CA -0.115 44.954 45.100 -0.051 0.000 0.871 267 G HN 0.345 nan 8.290 nan 0.000 0.549 268 G N 0.569 109.566 108.800 0.329 0.000 3.277 268 G HA2 0.411 4.372 3.960 0.002 0.000 0.243 268 G HA3 0.411 4.372 3.960 0.002 0.000 0.243 268 G C 0.171 175.230 174.900 0.266 0.000 1.107 268 G CA 0.045 45.472 45.100 0.545 0.000 0.771 268 G HN 0.256 nan 8.290 nan 0.000 0.544 269 V N 1.314 121.318 119.914 0.150 0.000 2.649 269 V HA 0.480 4.601 4.120 0.002 0.000 0.292 269 V C 0.121 176.237 176.094 0.037 0.000 1.055 269 V CA -0.111 62.212 62.300 0.038 0.000 1.023 269 V CB 1.432 33.244 31.823 -0.018 0.000 0.992 269 V HN 0.170 nan 8.190 nan 0.000 0.480 270 S N 2.697 118.383 115.700 -0.024 0.000 2.513 270 S HA 0.824 5.295 4.470 0.002 0.000 0.299 270 S C -0.432 174.141 174.600 -0.044 0.000 1.087 270 S CA -0.575 57.629 58.200 0.006 0.000 1.012 270 S CB 1.646 64.848 63.200 0.003 0.000 1.044 270 S HN 1.155 nan 8.310 nan 0.000 0.485 271 C N -0.021 119.315 119.300 0.059 0.000 3.284 271 C HA 0.851 5.313 4.460 0.002 0.000 0.348 271 C C 0.189 175.310 174.990 0.218 0.000 1.448 271 C CA -0.879 58.198 59.018 0.098 0.000 1.223 271 C CB 0.591 28.388 27.740 0.095 0.000 1.588 271 C HN 0.881 nan 8.230 nan 0.000 0.451 272 T N -0.493 114.212 114.554 0.251 0.000 2.868 272 T HA 0.546 4.897 4.350 0.002 0.000 0.292 272 T C 1.232 176.095 174.700 0.271 0.000 1.028 272 T CA 0.359 62.614 62.100 0.258 0.000 1.059 272 T CB 1.151 70.134 68.868 0.192 0.000 0.991 272 T HN 2.008 nan 8.240 nan 0.000 0.531 273 A N 1.638 124.633 122.820 0.292 0.000 1.902 273 A HA -0.053 4.269 4.320 0.002 0.000 0.217 273 A C 2.413 180.106 177.584 0.182 0.000 1.181 273 A CA 1.766 53.937 52.037 0.224 0.000 0.623 273 A CB -0.891 18.259 19.000 0.250 0.000 0.818 273 A HN 0.862 nan 8.150 nan 0.000 0.443 274 R N 0.346 120.961 120.500 0.192 0.000 2.096 274 R HA -0.121 4.220 4.340 0.002 0.000 0.235 274 R C 1.296 177.658 176.300 0.104 0.000 1.127 274 R CA 2.053 58.232 56.100 0.131 0.000 0.968 274 R CB -0.632 29.739 30.300 0.118 0.000 0.861 274 R HN 0.474 nan 8.270 nan 0.000 0.440 275 D N -0.226 120.260 120.400 0.144 0.000 2.149 275 D HA -0.119 4.523 4.640 0.002 0.000 0.201 275 D C 1.722 178.105 176.300 0.137 0.000 0.972 275 D CA 0.859 54.926 54.000 0.111 0.000 0.835 275 D CB -0.207 40.757 40.800 0.274 0.000 0.966 275 D HN 0.173 nan 8.370 nan 0.000 0.476 276 L N 1.034 122.408 121.223 0.251 0.000 2.083 276 L HA -0.060 4.282 4.340 0.002 0.000 0.209 276 L C 2.055 179.020 176.870 0.158 0.000 1.083 276 L CA 1.503 56.495 54.840 0.253 0.000 0.752 276 L CB -0.694 41.499 42.059 0.224 0.000 0.899 276 L HN -0.044 nan 8.230 nan 0.000 0.433 277 A N -0.467 122.420 122.820 0.112 0.000 2.019 277 A HA -0.213 4.109 4.320 0.002 0.000 0.219 277 A C 2.348 179.966 177.584 0.057 0.000 1.164 277 A CA 1.603 53.688 52.037 0.081 0.000 0.644 277 A CB -0.553 18.478 19.000 0.051 0.000 0.805 277 A HN 0.539 nan 8.150 nan 0.000 0.449 278 R N -0.680 119.830 120.500 0.017 0.000 2.152 278 R HA -0.059 4.282 4.340 0.002 0.000 0.232 278 R C 1.869 178.165 176.300 -0.007 0.000 1.117 278 R CA 1.275 57.354 56.100 -0.034 0.000 0.981 278 R CB -0.475 29.744 30.300 -0.134 0.000 0.870 278 R HN 0.417 nan 8.270 nan 0.000 0.451 279 V N 0.175 120.118 119.914 0.048 0.000 2.358 279 V HA -0.134 3.987 4.120 0.002 0.000 0.246 279 V C 2.404 178.600 176.094 0.171 0.000 1.047 279 V CA 2.100 64.478 62.300 0.130 0.000 1.035 279 V CB -0.864 31.094 31.823 0.225 0.000 0.658 279 V HN 0.507 nan 8.190 nan 0.000 0.452 280 G N 0.026 108.930 108.800 0.174 0.000 2.422 280 G HA2 -0.309 3.652 3.960 0.002 0.000 0.218 280 G HA3 -0.309 3.652 3.960 0.002 0.000 0.218 280 G C 1.671 176.616 174.900 0.075 0.000 1.146 280 G CA 0.960 46.154 45.100 0.158 0.000 0.769 280 G HN 0.416 nan 8.290 nan 0.000 0.547 281 R N 0.030 120.562 120.500 0.054 0.000 2.081 281 R HA 0.026 4.367 4.340 0.002 0.000 0.235 281 R C 2.407 178.717 176.300 0.017 0.000 1.131 281 R CA 1.472 57.587 56.100 0.024 0.000 0.960 281 R CB -0.535 29.772 30.300 0.011 0.000 0.856 281 R HN 0.339 nan 8.270 nan 0.000 0.436 282 M N -0.610 119.006 119.600 0.027 0.000 2.117 282 M HA -0.153 4.328 4.480 0.002 0.000 0.262 282 M C 1.438 177.754 176.300 0.027 0.000 1.065 282 M CA 1.726 57.042 55.300 0.026 0.000 1.114 282 M CB -0.232 32.391 32.600 0.039 0.000 1.361 282 M HN 0.214 nan 8.290 nan 0.000 0.408 283 M N 0.411 120.029 119.600 0.030 0.000 2.086 283 M HA -0.143 4.339 4.480 0.002 0.000 0.261 283 M C 2.167 178.434 176.300 -0.056 0.000 1.067 283 M CA 1.407 56.690 55.300 -0.028 0.000 1.116 283 M CB -1.345 31.187 32.600 -0.113 0.000 1.348 283 M HN 0.333 nan 8.290 nan 0.000 0.407 284 L N -0.438 120.759 121.223 -0.043 0.000 2.465 284 L HA -0.128 4.214 4.340 0.002 0.000 0.224 284 L C 0.623 177.477 176.870 -0.027 0.000 1.145 284 L CA 0.418 55.231 54.840 -0.044 0.000 0.834 284 L CB -0.483 41.558 42.059 -0.030 0.000 0.944 284 L HN 0.192 nan 8.230 nan 0.000 0.451 285 D N 0.400 120.791 120.400 -0.014 0.000 2.395 285 D HA 0.154 4.795 4.640 0.002 0.000 0.226 285 D C 1.421 177.718 176.300 -0.005 0.000 1.146 285 D CA 0.531 54.526 54.000 -0.008 0.000 0.830 285 D CB 0.470 41.267 40.800 -0.004 0.000 0.958 285 D HN 0.268 nan 8.370 nan 0.000 0.501 286 G N 0.424 109.218 108.800 -0.010 0.000 2.179 286 G HA2 -0.229 3.732 3.960 0.002 0.000 0.257 286 G HA3 -0.229 3.732 3.960 0.002 0.000 0.257 286 G C 1.099 176.010 174.900 0.020 0.000 1.010 286 G CA 0.375 45.474 45.100 -0.001 0.000 0.736 286 G HN 0.817 nan 8.290 nan 0.000 0.513 287 G N -3.164 105.652 108.800 0.026 0.000 2.179 287 G HA2 0.046 4.008 3.960 0.002 0.000 0.220 287 G HA3 0.046 4.008 3.960 0.002 0.000 0.220 287 G C 0.268 175.186 174.900 0.030 0.000 0.990 287 G CA 0.347 45.474 45.100 0.045 0.000 0.646 287 G HN 1.598 nan 8.290 nan 0.000 0.517 288 V N 0.997 120.921 119.914 0.017 0.000 2.472 288 V HA 0.846 4.967 4.120 0.002 0.000 0.290 288 V C 0.665 176.759 176.094 -0.000 0.000 1.037 288 V CA 0.076 62.381 62.300 0.007 0.000 0.908 288 V CB 1.431 33.255 31.823 0.003 0.000 0.985 288 V HN 1.123 nan 8.190 nan 0.000 0.454 289 A N 5.516 128.331 122.820 -0.008 0.000 2.387 289 A HA 0.855 5.177 4.320 0.002 0.000 0.303 289 A C -2.052 175.515 177.584 -0.030 0.000 1.145 289 A CA -1.708 50.314 52.037 -0.024 0.000 0.801 289 A CB 1.206 20.184 19.000 -0.036 0.000 1.342 289 A HN 0.603 nan 8.150 nan 0.000 0.440 290 P HA -0.078 nan 4.420 nan 0.000 0.217 290 P C 1.211 178.490 177.300 -0.036 0.000 1.148 290 P CA 1.929 65.006 63.100 -0.038 0.000 0.828 290 P CB 0.200 31.871 31.700 -0.047 0.000 0.783 291 G N -2.046 106.727 108.800 -0.044 0.000 3.141 291 G HA2 0.449 4.410 3.960 0.002 0.000 0.218 291 G HA3 0.449 4.410 3.960 0.002 0.000 0.218 291 G C 0.515 175.396 174.900 -0.031 0.000 1.170 291 G CA 0.387 45.463 45.100 -0.040 0.000 0.769 291 G HN 0.591 nan 8.290 nan 0.000 0.546 292 G N -0.638 108.147 108.800 -0.025 0.000 2.353 292 G HA2 0.092 4.053 3.960 0.002 0.000 0.424 292 G HA3 0.092 4.053 3.960 0.002 0.000 0.424 292 G C -0.708 174.186 174.900 -0.009 0.000 1.320 292 G CA -0.785 44.305 45.100 -0.017 0.000 0.995 292 G HN 0.439 nan 8.290 nan 0.000 0.580 293 R N -0.277 120.221 120.500 -0.002 0.000 2.442 293 R HA 0.478 4.819 4.340 0.002 0.000 0.291 293 R C 0.952 177.260 176.300 0.014 0.000 1.069 293 R CA 0.145 56.249 56.100 0.007 0.000 1.022 293 R CB 0.865 31.171 30.300 0.010 0.000 0.976 293 R HN 0.385 nan 8.270 nan 0.000 0.443 294 V N 4.918 124.844 119.914 0.020 0.000 2.436 294 V HA 0.027 4.148 4.120 0.002 0.000 0.240 294 V C 0.484 176.583 176.094 0.008 0.000 1.040 294 V CA 1.147 63.466 62.300 0.032 0.000 1.052 294 V CB 0.488 32.338 31.823 0.045 0.000 0.707 294 V HN 0.712 nan 8.190 nan 0.000 0.469 295 V N -2.391 117.522 119.914 -0.001 0.000 3.160 295 V HA 0.771 4.892 4.120 0.002 0.000 0.310 295 V C -0.190 175.919 176.094 0.025 0.000 1.181 295 V CA -0.542 61.728 62.300 -0.050 0.000 1.047 295 V CB 1.605 33.359 31.823 -0.114 0.000 1.068 295 V HN 0.311 nan 8.190 nan 0.000 0.441 296 S N 0.232 115.961 115.700 0.048 0.000 2.593 296 S HA 0.261 4.732 4.470 0.002 0.000 0.269 296 S C 0.791 175.459 174.600 0.114 0.000 1.334 296 S CA 0.029 58.278 58.200 0.082 0.000 1.015 296 S CB 0.795 64.052 63.200 0.094 0.000 0.912 296 S HN 0.832 nan 8.310 nan 0.000 0.541 297 E N 1.121 121.365 120.200 0.072 0.000 2.118 297 E HA -0.216 4.136 4.350 0.002 0.000 0.195 297 E C 1.449 178.086 176.600 0.061 0.000 0.992 297 E CA 1.776 58.208 56.400 0.053 0.000 0.804 297 E CB -0.483 29.234 29.700 0.028 0.000 0.741 297 E HN 0.932 nan 8.360 nan 0.000 0.458 298 D N 0.115 120.563 120.400 0.081 0.000 2.117 298 D HA -0.168 4.473 4.640 0.002 0.000 0.197 298 D C 1.694 178.051 176.300 0.094 0.000 0.987 298 D CA 0.967 55.009 54.000 0.070 0.000 0.829 298 D CB -0.148 40.699 40.800 0.079 0.000 0.961 298 D HN 0.249 nan 8.370 nan 0.000 0.460 299 W N 0.784 122.067 121.300 -0.029 0.000 2.355 299 W HA -0.191 4.470 4.660 0.002 0.000 0.309 299 W C 1.734 178.212 176.519 -0.069 0.000 1.206 299 W CA 1.027 58.353 57.345 -0.032 0.000 1.284 299 W CB -0.453 29.000 29.460 -0.011 0.000 1.145 299 W HN -0.097 nan 8.180 nan 0.000 0.502 300 V N 1.369 121.363 119.914 0.133 0.000 2.343 300 V HA -0.305 3.817 4.120 0.002 0.000 0.247 300 V C 2.652 178.652 176.094 -0.157 0.000 1.051 300 V CA 2.362 64.637 62.300 -0.042 0.000 1.036 300 V CB -1.049 30.770 31.823 -0.006 0.000 0.654 300 V HN 0.163 nan 8.190 nan 0.000 0.451 301 R N -0.034 120.406 120.500 -0.100 0.000 2.096 301 R HA -0.159 4.182 4.340 0.002 0.000 0.235 301 R C 2.534 178.735 176.300 -0.166 0.000 1.127 301 R CA 1.600 57.631 56.100 -0.115 0.000 0.968 301 R CB -0.140 30.120 30.300 -0.066 0.000 0.861 301 R HN 0.450 nan 8.270 nan 0.000 0.440 302 R N -0.378 119.996 120.500 -0.209 0.000 2.092 302 R HA -0.050 4.292 4.340 0.002 0.000 0.231 302 R C 2.276 178.377 176.300 -0.331 0.000 1.119 302 R CA 1.217 57.162 56.100 -0.260 0.000 0.970 302 R CB -0.157 29.954 30.300 -0.314 0.000 0.864 302 R HN 0.090 nan 8.270 nan 0.000 0.440 303 V N 1.605 121.256 119.914 -0.439 0.000 2.295 303 V HA -0.237 3.884 4.120 0.002 0.000 0.246 303 V C 2.256 178.129 176.094 -0.368 0.000 1.049 303 V CA 1.701 63.720 62.300 -0.469 0.000 1.024 303 V CB -0.381 31.045 31.823 -0.661 0.000 0.648 303 V HN 0.294 nan 8.190 nan 0.000 0.447 304 L N -0.011 121.018 121.223 -0.324 0.000 2.201 304 L HA -0.108 4.234 4.340 0.002 0.000 0.212 304 L C 2.580 179.346 176.870 -0.174 0.000 1.105 304 L CA 1.272 55.960 54.840 -0.253 0.000 0.775 304 L CB -0.676 41.255 42.059 -0.213 0.000 0.913 304 L HN 0.368 nan 8.230 nan 0.000 0.440 305 A N -0.292 122.435 122.820 -0.155 0.000 2.014 305 A HA 0.317 4.638 4.320 0.002 0.000 0.218 305 A C 1.301 178.851 177.584 -0.058 0.000 1.163 305 A CA 0.961 52.941 52.037 -0.095 0.000 0.652 305 A CB -0.427 18.517 19.000 -0.093 0.000 0.808 305 A HN 0.477 nan 8.150 nan 0.000 0.449 306 G N -2.914 105.830 108.800 -0.093 0.000 2.661 306 G HA2 0.390 4.351 3.960 0.002 0.000 0.685 306 G HA3 0.390 4.351 3.960 0.002 0.000 0.685 306 G C 0.217 175.104 174.900 -0.022 0.000 1.298 306 G CA -0.356 44.717 45.100 -0.045 0.000 0.855 306 G HN 1.287 nan 8.290 nan 0.000 0.560 307 G N -1.122 107.688 108.800 0.016 0.000 2.568 307 G HA2 0.707 4.668 3.960 0.002 0.000 0.293 307 G HA3 0.707 4.668 3.960 0.002 0.000 0.293 307 G C 0.612 175.588 174.900 0.128 0.000 1.347 307 G CA 0.891 46.014 45.100 0.039 0.000 1.039 307 G HN 1.899 nan 8.290 nan 0.000 0.523 308 S N -1.275 114.483 115.700 0.097 0.000 2.515 308 S HA 0.039 4.510 4.470 0.002 0.000 0.285 308 S C 1.237 175.963 174.600 0.210 0.000 1.265 308 S CA -0.214 58.052 58.200 0.109 0.000 1.079 308 S CB -0.230 63.008 63.200 0.064 0.000 0.877 308 S HN 0.576 nan 8.310 nan 0.000 0.493 309 H N 3.128 122.217 119.070 0.032 0.000 2.389 309 H HA -0.070 4.488 4.556 0.002 0.000 0.299 309 H C 1.517 176.880 175.328 0.058 0.000 1.081 309 H CA 1.425 57.503 56.048 0.050 0.000 1.345 309 H CB 0.262 30.053 29.762 0.049 0.000 1.393 309 H HN 0.621 nan 8.280 nan 0.000 0.520 310 E N 0.881 121.187 120.200 0.176 0.000 2.204 310 E HA -0.067 4.285 4.350 0.002 0.000 0.194 310 E C 2.209 178.877 176.600 0.112 0.000 0.989 310 E CA 0.733 57.205 56.400 0.120 0.000 0.824 310 E CB -0.028 29.719 29.700 0.078 0.000 0.756 310 E HN 0.431 nan 8.360 nan 0.000 0.477 311 A N 0.322 123.211 122.820 0.116 0.000 2.014 311 A HA -0.020 4.302 4.320 0.002 0.000 0.218 311 A C 1.339 179.019 177.584 0.159 0.000 1.163 311 A CA 0.457 52.569 52.037 0.126 0.000 0.652 311 A CB -0.299 18.775 19.000 0.124 0.000 0.808 311 A HN 0.241 nan 8.150 nan 0.000 0.449 312 M N 2.329 122.001 119.600 0.119 0.000 2.383 312 M HA 0.195 4.677 4.480 0.002 0.000 0.337 312 M C 0.710 177.103 176.300 0.155 0.000 1.422 312 M CA 0.580 55.928 55.300 0.080 0.000 1.333 312 M CB -0.016 32.593 32.600 0.016 0.000 1.488 312 M HN 0.228 nan 8.290 nan 0.000 0.454 313 T N -0.645 114.033 114.554 0.207 0.000 3.129 313 T HA 0.194 4.545 4.350 0.002 0.000 0.267 313 T C 0.328 175.156 174.700 0.213 0.000 1.018 313 T CA -0.518 61.692 62.100 0.184 0.000 0.903 313 T CB -0.288 68.670 68.868 0.150 0.000 1.067 313 T HN 0.612 nan 8.240 nan 0.000 0.549 314 D N 2.032 122.605 120.400 0.288 0.000 2.346 314 D HA 0.104 4.745 4.640 0.002 0.000 0.260 314 D C 0.842 177.297 176.300 0.259 0.000 1.252 314 D CA 0.031 54.217 54.000 0.310 0.000 0.895 314 D CB 0.975 42.041 40.800 0.444 0.000 1.097 314 D HN 0.319 nan 8.370 nan 0.000 0.489 315 K N 2.363 122.872 120.400 0.182 0.000 2.148 315 K HA -0.086 4.236 4.320 0.002 0.000 0.204 315 K C 1.928 178.598 176.600 0.117 0.000 1.050 315 K CA 0.948 57.314 56.287 0.132 0.000 0.942 315 K CB 0.067 32.622 32.500 0.092 0.000 0.724 315 K HN 0.471 nan 8.250 nan 0.000 0.446 316 G N 1.078 109.951 108.800 0.121 0.000 2.421 316 G HA2 -0.264 3.697 3.960 0.002 0.000 0.216 316 G HA3 -0.264 3.697 3.960 0.002 0.000 0.216 316 G C 1.316 176.259 174.900 0.072 0.000 1.171 316 G CA 0.386 45.513 45.100 0.045 0.000 0.775 316 G HN 0.205 nan 8.290 nan 0.000 0.543 317 F N 2.564 122.557 119.950 0.073 0.000 2.146 317 F HA -0.083 4.445 4.527 0.002 0.000 0.298 317 F C 3.038 178.990 175.800 0.253 0.000 1.096 317 F CA 2.196 60.331 58.000 0.226 0.000 1.275 317 F CB -0.504 38.699 39.000 0.338 0.000 1.008 317 F HN 0.227 nan 8.300 nan 0.000 0.480 318 T N -2.399 112.290 114.554 0.224 0.000 3.055 318 T HA -0.077 4.274 4.350 0.002 0.000 0.265 318 T C 1.742 176.448 174.700 0.010 0.000 1.111 318 T CA 0.954 63.116 62.100 0.104 0.000 1.118 318 T CB -0.529 68.431 68.868 0.154 0.000 0.909 318 T HN 0.151 nan 8.240 nan 0.000 0.501 319 N N 1.467 120.169 118.700 0.002 0.000 2.166 319 N HA -0.040 4.702 4.740 0.002 0.000 0.186 319 N C 1.887 177.322 175.510 -0.124 0.000 1.019 319 N CA 1.653 54.680 53.050 -0.038 0.000 0.856 319 N CB -0.613 37.861 38.487 -0.021 0.000 0.993 319 N HN 0.498 nan 8.380 nan 0.000 0.426 320 T N -0.540 113.875 114.554 -0.231 0.000 2.939 320 T HA 0.120 4.472 4.350 0.002 0.000 0.254 320 T C 0.015 174.267 174.700 -0.747 0.000 1.041 320 T CA 0.647 62.420 62.100 -0.545 0.000 1.142 320 T CB 0.043 68.458 68.868 -0.754 0.000 0.874 320 T HN 0.038 nan 8.240 nan 0.000 0.452 321 F N 1.850 121.660 119.950 -0.234 0.000 2.564 321 F HA 0.367 4.895 4.527 0.002 0.000 0.361 321 F C -1.872 173.822 175.800 -0.177 0.000 1.161 321 F CA -3.100 54.737 58.000 -0.271 0.000 1.198 321 F CB 1.363 40.026 39.000 -0.561 0.000 1.424 321 F HN -0.085 nan 8.300 nan 0.000 0.517 322 P HA -0.186 nan 4.420 nan 0.000 0.216 322 P C 0.349 177.669 177.300 0.033 0.000 1.150 322 P CA 1.620 64.741 63.100 0.035 0.000 0.843 322 P CB 0.460 32.177 31.700 0.028 0.000 0.787 323 D N -0.467 119.936 120.400 0.004 0.000 2.427 323 D HA 0.187 4.828 4.640 0.002 0.000 0.224 323 D C 1.203 177.315 176.300 -0.312 0.000 1.157 323 D CA 0.032 53.962 54.000 -0.117 0.000 0.828 323 D CB 0.100 40.882 40.800 -0.029 0.000 0.974 323 D HN 0.113 nan 8.370 nan 0.000 0.498 324 G N 0.485 109.236 108.800 -0.082 0.000 2.599 324 G HA2 0.460 4.421 3.960 0.002 0.000 0.264 324 G HA3 0.460 4.421 3.960 0.002 0.000 0.264 324 G C 0.204 175.142 174.900 0.063 0.000 1.200 324 G CA -0.059 45.081 45.100 0.067 0.000 0.896 324 G HN 0.201 nan 8.290 nan 0.000 0.536 325 S N -1.477 114.325 115.700 0.169 0.000 2.703 325 S HA 0.606 5.077 4.470 0.002 0.000 0.273 325 S C -1.670 172.904 174.600 -0.045 0.000 1.178 325 S CA -0.889 57.324 58.200 0.022 0.000 0.838 325 S CB 1.428 64.643 63.200 0.025 0.000 1.178 325 S HN 1.158 nan 8.310 nan 0.000 0.494 326 Y N 0.121 120.242 120.300 -0.299 0.000 2.441 326 Y HA 0.654 5.205 4.550 0.002 0.000 0.334 326 Y C -0.934 174.855 175.900 -0.186 0.000 1.061 326 Y CA -0.001 57.864 58.100 -0.391 0.000 1.032 326 Y CB 2.200 40.176 38.460 -0.806 0.000 1.266 326 Y HN 1.121 nan 8.280 nan 0.000 0.441 327 T N 5.615 119.958 114.554 -0.351 0.000 2.982 327 T HA 0.396 4.748 4.350 0.002 0.000 0.321 327 T C -0.888 173.653 174.700 -0.264 0.000 1.229 327 T CA -0.549 61.439 62.100 -0.187 0.000 1.044 327 T CB 0.908 69.682 68.868 -0.156 0.000 1.184 327 T HN 0.848 nan 8.240 nan 0.000 0.477 328 R N 3.238 123.670 120.500 -0.115 0.000 3.525 328 R HA -0.160 4.181 4.340 0.002 0.000 0.276 328 R C 0.048 176.400 176.300 0.086 0.000 1.116 328 R CA 0.851 56.941 56.100 -0.016 0.000 0.745 328 R CB -1.490 28.650 30.300 -0.267 0.000 1.185 328 R HN 0.808 nan 8.270 nan 0.000 0.454 329 Q N -4.402 115.326 119.800 -0.120 0.000 2.465 329 Q HA -0.234 4.107 4.340 0.002 0.000 0.248 329 Q C -0.851 174.857 176.000 -0.487 0.000 0.819 329 Q CA 2.031 57.723 55.803 -0.184 0.000 1.219 329 Q CB -1.607 27.116 28.738 -0.026 0.000 1.472 329 Q HN 0.592 nan 8.270 nan 0.000 0.630 330 W N -0.225 120.646 121.300 -0.716 0.000 2.666 330 W HA 0.570 5.231 4.660 0.002 0.000 0.334 330 W C -0.134 175.924 176.519 -0.768 0.000 1.051 330 W CA -0.599 56.456 57.345 -0.483 0.000 1.224 330 W CB 0.660 29.961 29.460 -0.264 0.000 1.405 330 W HN 0.038 nan 8.180 nan 0.000 0.513 331 W N 2.097 123.333 121.300 -0.106 0.000 2.316 331 W HA 0.488 5.149 4.660 0.002 0.000 0.311 331 W C -0.624 175.884 176.519 -0.018 0.000 1.217 331 W CA -0.313 56.978 57.345 -0.090 0.000 1.199 331 W CB 0.788 30.229 29.460 -0.032 0.000 1.202 331 W HN -0.006 nan 8.180 nan 0.000 0.528 332 C N 2.672 122.087 119.300 0.190 0.000 2.301 332 C HA 0.249 4.710 4.460 0.002 0.000 0.323 332 C C 1.752 176.799 174.990 0.096 0.000 1.265 332 C CA -0.526 58.528 59.018 0.060 0.000 1.503 332 C CB 0.470 28.191 27.740 -0.031 0.000 2.195 332 C HN 0.868 nan 8.230 nan 0.000 0.477 333 T N -0.680 113.764 114.554 -0.183 0.000 2.904 333 T HA 0.094 4.445 4.350 0.002 0.000 0.267 333 T C 1.673 176.252 174.700 -0.201 0.000 1.059 333 T CA 1.355 63.146 62.100 -0.515 0.000 1.137 333 T CB -0.351 67.972 68.868 -0.908 0.000 0.879 333 T HN 1.773 nan 8.240 nan 0.000 0.467 334 G N 2.760 111.479 108.800 -0.135 0.000 2.187 334 G HA2 -0.322 3.640 3.960 0.002 0.000 0.261 334 G HA3 -0.322 3.640 3.960 0.002 0.000 0.261 334 G C 0.017 174.904 174.900 -0.022 0.000 1.000 334 G CA 0.389 45.441 45.100 -0.081 0.000 0.718 334 G HN 1.070 nan 8.290 nan 0.000 0.519 335 N N -0.037 118.652 118.700 -0.018 0.000 2.366 335 N HA 0.294 5.035 4.740 0.002 0.000 0.277 335 N C 1.431 176.961 175.510 0.034 0.000 1.275 335 N CA -0.014 53.070 53.050 0.057 0.000 0.964 335 N CB 0.110 38.682 38.487 0.142 0.000 1.167 335 N HN 0.524 nan 8.380 nan 0.000 0.568 336 E N -0.803 119.429 120.200 0.054 0.000 2.338 336 E HA -0.146 4.206 4.350 0.002 0.000 0.197 336 E C 0.880 177.496 176.600 0.027 0.000 1.007 336 E CA 0.799 57.222 56.400 0.039 0.000 0.849 336 E CB -0.178 29.549 29.700 0.045 0.000 0.774 336 E HN 0.542 nan 8.360 nan 0.000 0.506 337 R N -0.002 120.516 120.500 0.030 0.000 2.290 337 R HA 0.137 4.478 4.340 0.002 0.000 0.197 337 R C 1.088 177.366 176.300 -0.038 0.000 0.913 337 R CA 0.428 56.536 56.100 0.015 0.000 1.040 337 R CB 0.497 30.831 30.300 0.056 0.000 0.992 337 R HN 0.315 nan 8.270 nan 0.000 0.500 338 G N 2.050 110.814 108.800 -0.061 0.000 2.198 338 G HA2 -0.314 3.647 3.960 0.002 0.000 0.260 338 G HA3 -0.314 3.647 3.960 0.002 0.000 0.260 338 G C -0.535 174.243 174.900 -0.202 0.000 1.025 338 G CA 0.096 45.130 45.100 -0.110 0.000 0.769 338 G HN 0.403 nan 8.290 nan 0.000 0.507 339 N N -0.891 117.646 118.700 -0.273 0.000 2.458 339 N HA 0.410 5.151 4.740 0.002 0.000 0.258 339 N C 0.100 175.279 175.510 -0.553 0.000 1.219 339 N CA 0.367 53.087 53.050 -0.550 0.000 0.902 339 N CB 1.185 39.165 38.487 -0.845 0.000 1.076 339 N HN 0.177 nan 8.380 nan 0.000 0.455 340 V N 0.571 120.156 119.914 -0.549 0.000 2.962 340 V HA 0.659 4.780 4.120 0.002 0.000 0.313 340 V C -0.432 175.559 176.094 -0.172 0.000 1.099 340 V CA -0.660 61.463 62.300 -0.295 0.000 0.971 340 V CB 2.077 33.752 31.823 -0.248 0.000 1.028 340 V HN 0.644 nan 8.190 nan 0.000 0.430 341 S N 1.030 116.845 115.700 0.192 0.000 2.533 341 S HA 0.712 5.183 4.470 0.002 0.000 0.271 341 S C -0.234 174.650 174.600 0.474 0.000 1.143 341 S CA -0.028 58.396 58.200 0.374 0.000 0.891 341 S CB 1.705 65.121 63.200 0.359 0.000 1.105 341 S HN 1.272 nan 8.310 nan 0.000 0.468 342 G N 2.721 111.677 108.800 0.260 0.000 2.432 342 G HA2 0.612 4.574 3.960 0.002 0.000 0.257 342 G HA3 0.612 4.574 3.960 0.002 0.000 0.257 342 G C -0.776 174.227 174.900 0.171 0.000 1.238 342 G CA -0.317 44.789 45.100 0.010 0.000 0.838 342 G HN 0.718 nan 8.290 nan 0.000 0.547 343 I N 1.000 121.687 120.570 0.196 0.000 2.619 343 I HA 0.564 4.735 4.170 0.002 0.000 0.292 343 I C 0.361 176.537 176.117 0.099 0.000 1.100 343 I CA -0.811 60.552 61.300 0.105 0.000 1.043 343 I CB 2.617 40.539 38.000 -0.130 0.000 1.239 343 I HN 0.650 nan 8.210 nan 0.000 0.420 344 G N 5.328 114.157 108.800 0.048 0.000 2.563 344 G HA2 0.711 4.672 3.960 0.002 0.000 0.302 344 G HA3 0.711 4.672 3.960 0.002 0.000 0.302 344 G C -0.470 174.406 174.900 -0.040 0.000 1.301 344 G CA -0.862 44.255 45.100 0.028 0.000 0.965 344 G HN 0.717 nan 8.290 nan 0.000 0.480 345 I N -1.140 119.400 120.570 -0.050 0.000 3.045 345 I HA 0.152 4.323 4.170 0.002 0.000 0.288 345 I C 0.811 176.794 176.117 -0.223 0.000 1.238 345 I CA -0.017 61.223 61.300 -0.100 0.000 1.396 345 I CB 0.141 37.976 38.000 -0.274 0.000 1.355 345 I HN 0.813 nan 8.210 nan 0.000 0.601 346 H N 2.362 121.169 119.070 -0.440 0.000 3.211 346 H HA -0.158 4.400 4.556 0.002 0.000 0.240 346 H C 1.028 175.345 175.328 -1.684 0.000 1.148 346 H CA 0.982 56.577 56.048 -0.755 0.000 1.160 346 H CB -1.785 27.772 29.762 -0.342 0.000 1.232 346 H HN 1.446 nan 8.280 nan 0.000 0.321 347 G N 0.571 108.217 108.800 -1.924 0.000 2.226 347 G HA2 -0.195 3.767 3.960 0.002 0.000 0.176 347 G HA3 -0.195 3.767 3.960 0.002 0.000 0.176 347 G C -0.271 174.299 174.900 -0.550 0.000 1.042 347 G CA 0.056 44.198 45.100 -1.596 0.000 0.732 347 G HN 0.325 nan 8.290 nan 0.000 0.494 348 Q N 0.138 119.740 119.800 -0.330 0.000 2.271 348 Q HA 0.648 4.989 4.340 0.002 0.000 0.258 348 Q C -0.198 175.792 176.000 -0.015 0.000 0.936 348 Q CA -0.422 55.302 55.803 -0.132 0.000 0.909 348 Q CB 1.455 30.160 28.738 -0.055 0.000 1.253 348 Q HN 0.459 nan 8.270 nan 0.000 0.440 349 N N 1.259 119.983 118.700 0.040 0.000 2.260 349 N HA 0.413 5.154 4.740 0.002 0.000 0.293 349 N C -1.583 174.029 175.510 0.169 0.000 1.058 349 N CA -0.645 52.494 53.050 0.148 0.000 0.824 349 N CB 1.755 40.370 38.487 0.213 0.000 1.551 349 N HN 0.337 nan 8.380 nan 0.000 0.475 350 L N 2.815 124.166 121.223 0.213 0.000 2.297 350 L HA 0.505 4.846 4.340 0.002 0.000 0.277 350 L C -1.443 175.667 176.870 0.400 0.000 1.040 350 L CA -0.579 54.416 54.840 0.259 0.000 0.867 350 L CB 0.124 42.309 42.059 0.210 0.000 1.244 350 L HN 0.608 nan 8.230 nan 0.000 0.433 351 W N 7.861 129.257 121.300 0.159 0.000 2.429 351 W HA 0.474 5.135 4.660 0.002 0.000 0.314 351 W C -1.849 174.744 176.519 0.123 0.000 1.062 351 W CA -0.940 56.498 57.345 0.155 0.000 1.211 351 W CB 1.445 30.974 29.460 0.115 0.000 1.305 351 W HN 0.351 nan 8.180 nan 0.000 0.476 352 L N 5.716 126.857 121.223 -0.137 0.000 2.295 352 L HA 0.218 4.559 4.340 0.002 0.000 0.285 352 L C -0.434 176.277 176.870 -0.266 0.000 1.035 352 L CA -0.328 54.434 54.840 -0.131 0.000 0.806 352 L CB 1.448 43.405 42.059 -0.169 0.000 1.214 352 L HN 0.348 nan 8.230 nan 0.000 0.426 353 D N 4.299 124.674 120.400 -0.042 0.000 2.434 353 D HA 0.257 4.899 4.640 0.002 0.000 0.275 353 D C -1.517 174.777 176.300 -0.011 0.000 1.172 353 D CA -1.694 52.306 54.000 0.001 0.000 0.916 353 D CB 1.266 42.169 40.800 0.172 0.000 1.041 353 D HN 0.171 nan 8.370 nan 0.000 0.501 354 P HA -0.181 nan 4.420 nan 0.000 0.217 354 P C 1.760 179.048 177.300 -0.021 0.000 1.148 354 P CA 0.695 63.765 63.100 -0.050 0.000 0.828 354 P CB 0.485 32.136 31.700 -0.082 0.000 0.783 355 L N -0.233 120.985 121.223 -0.009 0.000 2.042 355 L HA -0.136 4.206 4.340 0.002 0.000 0.210 355 L C 2.272 179.152 176.870 0.016 0.000 1.076 355 L CA 2.417 57.261 54.840 0.006 0.000 0.749 355 L CB -1.287 40.783 42.059 0.019 0.000 0.893 355 L HN 0.182 nan 8.230 nan 0.000 0.432 356 T N -5.713 108.858 114.554 0.029 0.000 3.092 356 T HA 0.083 4.435 4.350 0.002 0.000 0.258 356 T C 0.585 175.301 174.700 0.027 0.000 1.031 356 T CA 0.136 62.256 62.100 0.033 0.000 0.925 356 T CB 0.142 69.041 68.868 0.051 0.000 1.036 356 T HN 0.247 nan 8.240 nan 0.000 0.544 357 D N 0.517 120.927 120.400 0.017 0.000 2.772 357 D HA -0.153 4.488 4.640 0.002 0.000 0.233 357 D C -0.706 175.607 176.300 0.022 0.000 1.143 357 D CA 0.542 54.548 54.000 0.011 0.000 0.700 357 D CB -1.470 39.335 40.800 0.008 0.000 1.076 357 D HN 0.541 nan 8.370 nan 0.000 0.430 358 S N -1.167 114.556 115.700 0.038 0.000 2.568 358 S HA 0.797 5.268 4.470 0.002 0.000 0.302 358 S C -0.302 174.346 174.600 0.079 0.000 1.082 358 S CA -0.741 57.493 58.200 0.056 0.000 1.009 358 S CB 2.655 65.899 63.200 0.073 0.000 1.069 358 S HN 0.103 nan 8.310 nan 0.000 0.500 359 V N 2.766 122.727 119.914 0.077 0.000 2.540 359 V HA 0.537 4.658 4.120 0.002 0.000 0.302 359 V C -0.755 175.391 176.094 0.087 0.000 1.035 359 V CA -0.565 61.800 62.300 0.108 0.000 0.873 359 V CB 1.472 33.346 31.823 0.084 0.000 0.992 359 V HN 0.759 nan 8.190 nan 0.000 0.428 360 I N 4.462 125.128 120.570 0.160 0.000 2.389 360 I HA 0.484 4.656 4.170 0.002 0.000 0.288 360 I C -0.647 175.487 176.117 0.029 0.000 0.999 360 I CA -0.808 60.499 61.300 0.011 0.000 1.129 360 I CB 2.021 40.031 38.000 0.016 0.000 1.288 360 I HN 0.263 nan 8.210 nan 0.000 0.444 361 V N 6.711 126.558 119.914 -0.113 0.000 2.398 361 V HA 0.393 4.514 4.120 0.002 0.000 0.286 361 V C -0.108 175.928 176.094 -0.096 0.000 1.026 361 V CA -0.586 61.686 62.300 -0.046 0.000 0.868 361 V CB 1.723 33.533 31.823 -0.021 0.000 0.982 361 V HN 0.629 nan 8.190 nan 0.000 0.443 362 K N 5.489 125.892 120.400 0.005 0.000 2.507 362 K HA 0.686 5.008 4.320 0.002 0.000 0.252 362 K C -1.756 174.797 176.600 -0.077 0.000 0.943 362 K CA -0.586 55.731 56.287 0.051 0.000 0.808 362 K CB 1.424 34.014 32.500 0.150 0.000 1.142 362 K HN 0.608 nan 8.250 nan 0.000 0.426 363 L N 2.875 123.976 121.223 -0.203 0.000 2.356 363 L HA 0.536 4.877 4.340 0.002 0.000 0.277 363 L C -0.667 175.896 176.870 -0.512 0.000 0.996 363 L CA -0.607 53.934 54.840 -0.499 0.000 0.822 363 L CB 2.107 43.677 42.059 -0.815 0.000 1.256 363 L HN 0.657 nan 8.230 nan 0.000 0.413 364 S N 0.193 115.663 115.700 -0.384 0.000 2.720 364 S HA 0.629 5.100 4.470 0.002 0.000 0.287 364 S C -0.628 173.931 174.600 -0.069 0.000 1.168 364 S CA -0.763 57.328 58.200 -0.181 0.000 0.832 364 S CB 2.127 65.187 63.200 -0.233 0.000 1.166 364 S HN 0.581 nan 8.310 nan 0.000 0.493 365 S N 0.250 115.935 115.700 -0.026 0.000 2.359 365 S HA 0.314 4.786 4.470 0.002 0.000 0.148 365 S C -0.843 173.685 174.600 -0.119 0.000 1.610 365 S CA -0.813 57.349 58.200 -0.063 0.000 1.274 365 S CB -0.303 62.889 63.200 -0.014 0.000 1.380 365 S HN 0.588 nan 8.310 nan 0.000 0.380 366 W N 2.377 123.459 121.300 -0.362 0.000 2.274 366 W HA 0.228 4.889 4.660 0.002 0.000 0.345 366 W C -1.956 174.207 176.519 -0.594 0.000 1.265 366 W CA -1.865 54.940 57.345 -0.901 0.000 1.293 366 W CB -0.694 28.060 29.460 -1.176 0.000 1.175 366 W HN 0.291 nan 8.180 nan 0.000 0.577 367 P HA -0.127 nan 4.420 nan 0.000 0.218 367 P C -0.037 177.334 177.300 0.119 0.000 1.149 367 P CA 1.666 64.672 63.100 -0.157 0.000 0.817 367 P CB 0.338 31.961 31.700 -0.128 0.000 0.785 368 D N -1.640 118.853 120.400 0.155 0.000 2.198 368 D HA 0.168 4.809 4.640 0.002 0.000 0.247 368 D C -1.838 174.451 176.300 -0.019 0.000 1.010 368 D CA -1.847 52.277 54.000 0.206 0.000 0.880 368 D CB 1.426 42.443 40.800 0.361 0.000 1.209 368 D HN -0.112 nan 8.370 nan 0.000 0.451 369 P HA -0.095 nan 4.420 nan 0.000 0.214 369 P C -0.430 176.946 177.300 0.126 0.000 1.162 369 P CA 1.168 63.937 63.100 -0.551 0.000 0.879 369 P CB 0.263 31.898 31.700 -0.108 0.000 0.786 370 Y N -1.423 119.016 120.300 0.230 0.000 2.333 370 Y HA 0.357 4.909 4.550 0.002 0.000 0.319 370 Y C -0.778 175.293 175.900 0.286 0.000 1.200 370 Y CA -0.499 57.827 58.100 0.376 0.000 1.084 370 Y CB 1.105 39.749 38.460 0.307 0.000 1.268 370 Y HN -0.188 nan 8.280 nan 0.000 0.422 371 T N 0.353 114.963 114.554 0.093 0.000 2.883 371 T HA 0.257 4.608 4.350 0.002 0.000 0.296 371 T C 0.487 175.147 174.700 -0.066 0.000 1.117 371 T CA -0.747 61.388 62.100 0.058 0.000 1.006 371 T CB 1.971 70.842 68.868 0.005 0.000 1.191 371 T HN 0.588 nan 8.240 nan 0.000 0.508 372 E N 0.299 120.483 120.200 -0.027 0.000 2.118 372 E HA -0.250 4.101 4.350 0.002 0.000 0.195 372 E C 1.528 178.067 176.600 -0.102 0.000 0.992 372 E CA 1.830 58.209 56.400 -0.035 0.000 0.804 372 E CB -0.369 29.315 29.700 -0.028 0.000 0.741 372 E HN 0.896 nan 8.360 nan 0.000 0.458 373 H N -0.907 117.972 119.070 -0.318 0.000 2.267 373 H HA -0.162 4.395 4.556 0.002 0.000 0.297 373 H C 1.877 176.854 175.328 -0.586 0.000 1.080 373 H CA 2.790 58.534 56.048 -0.506 0.000 1.278 373 H CB -0.674 28.635 29.762 -0.754 0.000 1.365 373 H HN 0.181 nan 8.280 nan 0.000 0.489 374 W N -0.630 120.310 121.300 -0.599 0.000 2.418 374 W HA -0.089 4.572 4.660 0.002 0.000 0.292 374 W C 2.710 178.705 176.519 -0.873 0.000 1.213 374 W CA 0.925 57.590 57.345 -1.133 0.000 1.283 374 W CB -0.456 27.702 29.460 -2.169 0.000 1.119 374 W HN 0.407 nan 8.180 nan 0.000 0.542 375 H N 0.755 119.522 119.070 -0.506 0.000 2.319 375 H HA -0.208 4.349 4.556 0.002 0.000 0.297 375 H C 2.394 177.648 175.328 -0.123 0.000 1.097 375 H CA 2.576 58.498 56.048 -0.210 0.000 1.285 375 H CB -0.181 29.527 29.762 -0.090 0.000 1.368 375 H HN -0.042 nan 8.280 nan 0.000 0.495 376 R N -0.011 120.402 120.500 -0.145 0.000 2.073 376 R HA -0.093 4.248 4.340 0.002 0.000 0.234 376 R C 2.358 178.512 176.300 -0.242 0.000 1.134 376 R CA 1.642 57.621 56.100 -0.201 0.000 0.952 376 R CB -0.216 29.981 30.300 -0.172 0.000 0.850 376 R HN 0.414 nan 8.270 nan 0.000 0.433 377 L N 0.359 121.408 121.223 -0.290 0.000 2.027 377 L HA -0.187 4.154 4.340 0.002 0.000 0.206 377 L C 2.772 179.562 176.870 -0.133 0.000 1.074 377 L CA 1.499 56.201 54.840 -0.230 0.000 0.745 377 L CB -0.489 41.408 42.059 -0.269 0.000 0.898 377 L HN 0.295 nan 8.230 nan 0.000 0.433 378 Q N 0.364 120.123 119.800 -0.069 0.000 2.050 378 Q HA -0.199 4.142 4.340 0.002 0.000 0.202 378 Q C 2.026 177.977 176.000 -0.081 0.000 0.980 378 Q CA 1.769 57.599 55.803 0.045 0.000 0.840 378 Q CB -0.018 28.902 28.738 0.304 0.000 0.898 378 Q HN 0.365 nan 8.270 nan 0.000 0.424 379 N N -0.628 117.991 118.700 -0.135 0.000 2.244 379 N HA -0.075 4.667 4.740 0.002 0.000 0.183 379 N C 1.581 176.991 175.510 -0.166 0.000 1.016 379 N CA 1.174 54.136 53.050 -0.147 0.000 0.866 379 N CB -0.433 37.975 38.487 -0.132 0.000 0.980 379 N HN 0.443 nan 8.380 nan 0.000 0.430 380 G N 1.318 110.022 108.800 -0.160 0.000 2.422 380 G HA2 -0.159 3.802 3.960 0.002 0.000 0.218 380 G HA3 -0.159 3.802 3.960 0.002 0.000 0.218 380 G C 1.676 176.491 174.900 -0.142 0.000 1.146 380 G CA 0.306 45.325 45.100 -0.135 0.000 0.769 380 G HN 0.248 nan 8.290 nan 0.000 0.547 381 I N 0.258 120.730 120.570 -0.162 0.000 2.202 381 I HA -0.097 4.074 4.170 0.002 0.000 0.242 381 I C 2.685 178.678 176.117 -0.207 0.000 1.091 381 I CA 0.657 61.855 61.300 -0.171 0.000 1.368 381 I CB -0.197 37.699 38.000 -0.173 0.000 1.058 381 I HN 0.120 nan 8.210 nan 0.000 0.410 382 L N 0.103 121.115 121.223 -0.352 0.000 2.083 382 L HA -0.209 4.132 4.340 0.002 0.000 0.209 382 L C 2.496 179.047 176.870 -0.532 0.000 1.083 382 L CA 1.262 55.695 54.840 -0.679 0.000 0.752 382 L CB -0.496 40.704 42.059 -1.432 0.000 0.899 382 L HN 0.261 nan 8.230 nan 0.000 0.433 383 L N -0.655 120.388 121.223 -0.300 0.000 2.056 383 L HA -0.189 4.153 4.340 0.002 0.000 0.207 383 L C 2.222 179.101 176.870 0.014 0.000 1.078 383 L CA 0.979 55.823 54.840 0.006 0.000 0.749 383 L CB -0.538 41.571 42.059 0.083 0.000 0.901 383 L HN 0.228 nan 8.230 nan 0.000 0.433 384 D N -0.349 120.027 120.400 -0.040 0.000 2.117 384 D HA -0.147 4.495 4.640 0.002 0.000 0.197 384 D C 2.326 178.625 176.300 -0.001 0.000 0.987 384 D CA 1.079 55.066 54.000 -0.022 0.000 0.829 384 D CB -0.161 40.608 40.800 -0.052 0.000 0.961 384 D HN 0.061 nan 8.370 nan 0.000 0.460 385 V N 0.633 120.540 119.914 -0.010 0.000 2.358 385 V HA -0.200 3.921 4.120 0.002 0.000 0.246 385 V C 2.458 178.595 176.094 0.072 0.000 1.047 385 V CA 1.534 63.861 62.300 0.045 0.000 1.035 385 V CB -0.478 31.408 31.823 0.106 0.000 0.658 385 V HN 0.135 nan 8.190 nan 0.000 0.452 386 S N -0.306 115.448 115.700 0.089 0.000 2.359 386 S HA -0.208 4.264 4.470 0.002 0.000 0.224 386 S C 2.100 176.771 174.600 0.120 0.000 1.035 386 S CA 1.548 59.849 58.200 0.167 0.000 1.018 386 S CB -0.325 63.064 63.200 0.316 0.000 0.876 386 S HN 0.531 nan 8.310 nan 0.000 0.448 387 R N 1.018 121.575 120.500 0.096 0.000 2.115 387 R HA 0.060 4.401 4.340 0.002 0.000 0.230 387 R C 2.432 178.764 176.300 0.053 0.000 1.111 387 R CA 1.026 57.168 56.100 0.071 0.000 0.976 387 R CB -0.412 29.923 30.300 0.057 0.000 0.870 387 R HN 0.397 nan 8.270 nan 0.000 0.445 388 A N 0.914 123.763 122.820 0.048 0.000 2.121 388 A HA -0.070 4.252 4.320 0.002 0.000 0.218 388 A C 1.919 179.530 177.584 0.045 0.000 1.154 388 A CA 0.960 53.020 52.037 0.040 0.000 0.679 388 A CB -0.275 18.746 19.000 0.036 0.000 0.795 388 A HN 0.191 nan 8.150 nan 0.000 0.458 389 L N -0.403 120.854 121.223 0.056 0.000 2.558 389 L HA 0.053 4.394 4.340 0.002 0.000 0.225 389 L C -0.144 176.753 176.870 0.046 0.000 1.128 389 L CA -0.338 54.534 54.840 0.053 0.000 0.868 389 L CB -0.326 41.772 42.059 0.065 0.000 1.006 389 L HN 0.146 nan 8.230 nan 0.000 0.454 390 D N 1.465 121.892 120.400 0.045 0.000 2.423 390 D HA 0.192 4.834 4.640 0.002 0.000 0.238 390 D C 0.399 176.716 176.300 0.029 0.000 1.142 390 D CA 0.211 54.234 54.000 0.038 0.000 0.884 390 D CB 1.113 41.935 40.800 0.038 0.000 1.199 390 D HN 0.071 nan 8.370 nan 0.000 0.438 391 A N 1.658 124.493 122.820 0.025 0.000 2.511 391 A HA 0.349 4.670 4.320 0.002 0.000 0.242 391 A C 0.138 177.733 177.584 0.019 0.000 1.069 391 A CA -0.123 51.927 52.037 0.020 0.000 0.763 391 A CB 0.549 19.560 19.000 0.018 0.000 1.001 391 A HN 0.350 nan 8.150 nan 0.000 0.498 392 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 0.015 0.000 1.184 392 V HN 0.000 nan 8.190 nan 0.000 0.556