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 2zm7_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 AHGGVSCTAR DLARVGRMML DGGVAPGGRV VSEDWVRRVL DATA SEQUENCE AGGSHEAMTD KGFTNTFPDG SYTRQWWCTG NERGNVSGIG IHGQNLWLDP DATA SEQUENCE LTDSVIVKLS SWPDPDTEHW HRLQNGILLD VSRALDAV VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 5 S HA 0.000 nan 4.470 nan 0.000 0.327 5 S C 0.000 174.647 174.600 0.079 0.000 1.055 5 S CA 0.000 58.226 58.200 0.043 0.000 1.107 5 S CB 0.000 63.208 63.200 0.013 0.000 0.593 6 T N -1.162 113.453 114.554 0.102 0.000 3.085 6 T HA 0.624 4.975 4.350 0.003 0.000 0.264 6 T C 1.320 176.058 174.700 0.063 0.000 1.019 6 T CA 0.709 62.941 62.100 0.220 0.000 0.910 6 T CB -0.554 68.473 68.868 0.265 0.000 1.059 6 T HN 2.428 nan 8.240 nan 0.000 0.542 7 G N 1.536 110.276 108.800 -0.100 0.000 2.693 7 G HA2 -0.230 3.732 3.960 0.003 0.000 0.226 7 G HA3 -0.230 3.732 3.960 0.003 0.000 0.226 7 G C -0.571 174.013 174.900 -0.527 0.000 1.354 7 G CA -0.368 44.602 45.100 -0.218 0.000 0.873 7 G HN 0.778 nan 8.290 nan 0.000 0.562 8 Q N 0.374 119.932 119.800 -0.403 0.000 2.313 8 Q HA 0.433 4.775 4.340 0.003 0.000 0.266 8 Q C -0.251 175.398 176.000 -0.584 0.000 0.989 8 Q CA -0.210 55.361 55.803 -0.386 0.000 0.890 8 Q CB 0.257 28.891 28.738 -0.172 0.000 1.200 8 Q HN 0.631 nan 8.270 nan 0.000 0.396 9 H N 2.909 121.895 119.070 -0.139 0.000 2.797 9 H HA 0.403 4.960 4.556 0.002 0.000 0.372 9 H C -2.264 173.030 175.328 -0.057 0.000 1.168 9 H CA -2.261 53.695 56.048 -0.154 0.000 1.163 9 H CB 1.128 30.708 29.762 -0.303 0.000 1.778 9 H HN 0.603 nan 8.280 nan 0.000 0.551 10 P HA 0.151 nan 4.420 nan 0.000 0.267 10 P C -0.409 176.894 177.300 0.004 0.000 1.205 10 P CA -0.224 62.918 63.100 0.070 0.000 0.765 10 P CB 0.333 32.102 31.700 0.114 0.000 0.828 11 A N 3.339 126.116 122.820 -0.073 0.000 2.483 11 A HA 0.060 4.381 4.320 0.003 0.000 0.238 11 A C 1.695 179.118 177.584 -0.268 0.000 1.070 11 A CA -0.121 51.800 52.037 -0.194 0.000 0.770 11 A CB 0.084 18.933 19.000 -0.252 0.000 1.008 11 A HN 0.532 nan 8.150 nan 0.000 0.497 12 R N 0.224 120.471 120.500 -0.421 0.000 2.120 12 R HA -0.072 4.269 4.340 0.003 0.000 0.234 12 R C -0.021 175.864 176.300 -0.691 0.000 1.123 12 R CA 2.274 58.037 56.100 -0.563 0.000 0.975 12 R CB -0.373 29.493 30.300 -0.723 0.000 0.866 12 R HN 0.860 nan 8.270 nan 0.000 0.446 13 Y N -4.839 115.141 120.300 -0.532 0.000 2.625 13 Y HA 0.627 5.179 4.550 0.003 0.000 0.338 13 Y C -2.834 172.974 175.900 -0.153 0.000 1.123 13 Y CA -4.034 53.836 58.100 -0.384 0.000 1.046 13 Y CB 0.248 38.443 38.460 -0.442 0.000 1.299 13 Y HN -0.238 nan 8.280 nan 0.000 0.464 14 P HA 0.201 nan 4.420 nan 0.000 0.258 14 P C 0.765 178.143 177.300 0.131 0.000 1.187 14 P CA 2.346 65.508 63.100 0.104 0.000 0.767 14 P CB 0.367 32.144 31.700 0.129 0.000 0.770 15 G N 2.431 111.226 108.800 -0.010 0.000 2.175 15 G HA2 -0.178 3.783 3.960 0.003 0.000 0.244 15 G HA3 -0.178 3.783 3.960 0.003 0.000 0.244 15 G C 0.442 175.280 174.900 -0.103 0.000 0.982 15 G CA -0.098 45.001 45.100 -0.001 0.000 0.641 15 G HN 0.843 nan 8.290 nan 0.000 0.527 16 A N 0.427 122.982 122.820 -0.441 0.000 2.477 16 A HA 0.780 5.102 4.320 0.003 0.000 0.246 16 A C 1.147 178.567 177.584 -0.273 0.000 1.078 16 A CA 1.161 52.803 52.037 -0.659 0.000 0.770 16 A CB 0.300 18.449 19.000 -1.419 0.000 1.011 16 A HN 2.121 nan 8.150 nan 0.000 0.494 17 A N 1.793 124.543 122.820 -0.116 0.000 2.386 17 A HA 0.543 4.865 4.320 0.003 0.000 0.246 17 A C 1.001 178.535 177.584 -0.084 0.000 1.089 17 A CA 0.162 52.166 52.037 -0.055 0.000 0.790 17 A CB -0.295 18.719 19.000 0.023 0.000 1.042 17 A HN 2.316 nan 8.150 nan 0.000 0.497 18 A N -0.214 122.576 122.820 -0.050 0.000 2.548 18 A HA 0.466 4.788 4.320 0.003 0.000 0.247 18 A C 1.613 179.180 177.584 -0.028 0.000 1.067 18 A CA 0.835 52.850 52.037 -0.035 0.000 0.757 18 A CB -1.087 17.905 19.000 -0.013 0.000 0.996 18 A HN 2.755 nan 8.150 nan 0.000 0.504 19 G N 1.469 110.249 108.800 -0.033 0.000 2.184 19 G HA2 -0.186 3.776 3.960 0.003 0.000 0.264 19 G HA3 -0.186 3.776 3.960 0.003 0.000 0.264 19 G C 0.006 174.872 174.900 -0.057 0.000 0.975 19 G CA 0.486 45.571 45.100 -0.025 0.000 0.642 19 G HN 0.812 nan 8.290 nan 0.000 0.536 20 E N 1.106 121.243 120.200 -0.105 0.000 2.204 20 E HA 0.470 4.821 4.350 0.003 0.000 0.276 20 E C -2.238 174.258 176.600 -0.174 0.000 0.974 20 E CA -1.651 54.652 56.400 -0.162 0.000 0.815 20 E CB 2.437 32.070 29.700 -0.112 0.000 1.119 20 E HN 0.270 nan 8.360 nan 0.000 0.393 21 P HA 0.170 nan 4.420 nan 0.000 0.280 21 P C -0.260 177.044 177.300 0.008 0.000 1.272 21 P CA -0.327 62.670 63.100 -0.172 0.000 0.819 21 P CB 0.930 32.660 31.700 0.049 0.000 1.122 22 T N -2.261 112.315 114.554 0.037 0.000 2.922 22 T HA 0.238 4.589 4.350 0.003 0.000 0.281 22 T C 1.134 175.991 174.700 0.261 0.000 1.005 22 T CA -0.711 61.458 62.100 0.115 0.000 0.982 22 T CB 0.183 69.094 68.868 0.072 0.000 1.158 22 T HN 0.129 nan 8.240 nan 0.000 0.566 23 L N 0.369 121.741 121.223 0.249 0.000 2.187 23 L HA 0.010 4.351 4.340 0.003 0.000 0.213 23 L C 1.509 178.606 176.870 0.379 0.000 1.100 23 L CA 1.893 56.958 54.840 0.375 0.000 0.765 23 L CB -0.880 41.312 42.059 0.221 0.000 0.904 23 L HN 0.681 nan 8.230 nan 0.000 0.437 24 D N -2.094 118.421 120.400 0.193 0.000 2.360 24 D HA 0.056 4.697 4.640 0.003 0.000 0.210 24 D C 1.782 178.091 176.300 0.014 0.000 1.047 24 D CA 1.005 55.053 54.000 0.081 0.000 0.854 24 D CB 0.447 41.284 40.800 0.061 0.000 0.936 24 D HN 0.531 nan 8.370 nan 0.000 0.514 25 S N -0.433 115.300 115.700 0.056 0.000 2.632 25 S HA -0.006 4.466 4.470 0.003 0.000 0.237 25 S C 1.715 176.377 174.600 0.102 0.000 1.037 25 S CA -0.802 57.422 58.200 0.040 0.000 1.009 25 S CB -0.703 62.499 63.200 0.004 0.000 0.974 25 S HN 0.412 nan 8.310 nan 0.000 0.544 26 W N 1.824 123.197 121.300 0.121 0.000 2.525 26 W HA 0.090 4.751 4.660 0.002 0.000 0.259 26 W C 0.898 177.540 176.519 0.206 0.000 1.253 26 W CA 0.555 58.016 57.345 0.193 0.000 1.262 26 W CB -0.712 28.879 29.460 0.218 0.000 1.122 26 W HN 0.402 nan 8.180 nan 0.000 0.607 27 Q N 0.960 120.506 119.800 -0.423 0.000 2.425 27 Q HA 0.042 4.384 4.340 0.003 0.000 0.204 27 Q C 0.139 176.083 176.000 -0.095 0.000 0.933 27 Q CA 0.542 56.149 55.803 -0.326 0.000 0.939 27 Q CB 0.180 28.550 28.738 -0.613 0.000 1.044 27 Q HN 0.401 nan 8.270 nan 0.000 0.513 28 E N 1.812 122.007 120.200 -0.008 0.000 2.283 28 E HA 0.235 4.587 4.350 0.003 0.000 0.267 28 E C -2.422 174.164 176.600 -0.024 0.000 1.045 28 E CA -2.255 54.157 56.400 0.020 0.000 0.884 28 E CB 0.843 30.596 29.700 0.089 0.000 1.106 28 E HN -0.040 nan 8.360 nan 0.000 0.408 29 P HA 0.113 nan 4.420 nan 0.000 0.281 29 P C -2.188 174.925 177.300 -0.311 0.000 1.249 29 P CA -1.481 61.511 63.100 -0.179 0.000 0.810 29 P CB 0.689 32.318 31.700 -0.118 0.000 1.008 30 P HA -0.001 nan 4.420 nan 0.000 0.255 30 P C 1.017 178.121 177.300 -0.326 0.000 1.248 30 P CA 0.758 63.690 63.100 -0.281 0.000 0.807 30 P CB -0.145 31.461 31.700 -0.157 0.000 1.150 31 H N 1.750 120.802 119.070 -0.030 0.000 2.421 31 H HA -0.092 4.465 4.556 0.003 0.000 0.298 31 H C 1.665 176.943 175.328 -0.083 0.000 1.087 31 H CA 1.668 57.712 56.048 -0.006 0.000 1.330 31 H CB -0.973 28.940 29.762 0.251 0.000 1.388 31 H HN 0.352 nan 8.280 nan 0.000 0.526 32 N N 1.956 120.582 118.700 -0.125 0.000 2.381 32 N HA -0.131 4.611 4.740 0.003 0.000 0.182 32 N C 1.687 176.783 175.510 -0.690 0.000 1.025 32 N CA 0.567 53.304 53.050 -0.521 0.000 0.888 32 N CB -0.468 37.490 38.487 -0.881 0.000 0.965 32 N HN 0.278 nan 8.380 nan 0.000 0.438 33 R N -0.727 119.551 120.500 -0.371 0.000 2.081 33 R HA -0.124 4.217 4.340 0.003 0.000 0.235 33 R C 1.833 178.098 176.300 -0.058 0.000 1.131 33 R CA 1.494 57.469 56.100 -0.208 0.000 0.960 33 R CB -0.574 29.642 30.300 -0.141 0.000 0.856 33 R HN 0.432 nan 8.270 nan 0.000 0.436 34 W N 1.407 122.575 121.300 -0.220 0.000 2.407 34 W HA -0.020 4.641 4.660 0.003 0.000 0.305 34 W C 2.241 178.873 176.519 0.188 0.000 1.196 34 W CA 1.382 58.716 57.345 -0.019 0.000 1.311 34 W CB -0.240 29.110 29.460 -0.183 0.000 1.135 34 W HN 0.053 nan 8.180 nan 0.000 0.514 35 A N -0.187 122.683 122.820 0.084 0.000 1.930 35 A HA -0.125 4.197 4.320 0.003 0.000 0.217 35 A C 1.781 179.379 177.584 0.025 0.000 1.175 35 A CA 1.327 53.324 52.037 -0.067 0.000 0.627 35 A CB -1.327 17.946 19.000 0.455 0.000 0.815 35 A HN 0.356 nan 8.150 nan 0.000 0.443 36 F N -0.235 119.696 119.950 -0.031 0.000 2.451 36 F HA 0.052 4.580 4.527 0.002 0.000 0.299 36 F C 2.373 178.052 175.800 -0.202 0.000 1.101 36 F CA 0.192 58.162 58.000 -0.050 0.000 1.436 36 F CB -0.832 38.181 39.000 0.022 0.000 1.074 36 F HN 0.303 nan 8.300 nan 0.000 0.553 37 A N -1.754 120.975 122.820 -0.151 0.000 2.348 37 A HA 0.128 4.450 4.320 0.003 0.000 0.224 37 A C 0.081 177.121 177.584 -0.907 0.000 1.227 37 A CA 0.191 51.957 52.037 -0.452 0.000 0.885 37 A CB -0.657 18.073 19.000 -0.450 0.000 0.933 37 A HN 0.428 nan 8.150 nan 0.000 0.506 38 H N -1.831 116.926 119.070 -0.522 0.000 3.064 38 H HA 0.207 4.764 4.556 0.003 0.000 0.232 38 H C 0.695 175.704 175.328 -0.531 0.000 1.308 38 H CA -0.418 55.274 56.048 -0.593 0.000 1.010 38 H CB 0.343 29.497 29.762 -1.014 0.000 2.408 38 H HN 0.204 nan 8.280 nan 0.000 0.599 39 L N 0.515 121.534 121.223 -0.340 0.000 2.201 39 L HA 0.082 4.423 4.340 0.003 0.000 0.212 39 L C 2.243 178.924 176.870 -0.315 0.000 1.105 39 L CA 1.817 56.421 54.840 -0.394 0.000 0.775 39 L CB -0.534 41.297 42.059 -0.380 0.000 0.913 39 L HN 0.531 nan 8.230 nan 0.000 0.440 40 G N -1.308 107.363 108.800 -0.215 0.000 2.470 40 G HA2 -0.220 3.742 3.960 0.003 0.000 0.220 40 G HA3 -0.220 3.742 3.960 0.003 0.000 0.220 40 G C 1.402 176.237 174.900 -0.109 0.000 1.121 40 G CA 0.526 45.535 45.100 -0.152 0.000 0.766 40 G HN 0.518 nan 8.290 nan 0.000 0.553 41 E N -0.583 119.568 120.200 -0.081 0.000 2.418 41 E HA 0.006 4.358 4.350 0.003 0.000 0.197 41 E C 1.948 178.559 176.600 0.018 0.000 1.026 41 E CA 0.434 56.851 56.400 0.028 0.000 0.862 41 E CB 0.034 29.850 29.700 0.193 0.000 0.799 41 E HN 0.375 nan 8.360 nan 0.000 0.518 42 M N -0.481 119.052 119.600 -0.112 0.000 2.740 42 M HA 0.145 4.627 4.480 0.003 0.000 0.253 42 M C 0.441 176.637 176.300 -0.173 0.000 1.341 42 M CA 0.506 55.712 55.300 -0.157 0.000 1.176 42 M CB 0.840 33.192 32.600 -0.413 0.000 1.310 42 M HN -0.268 nan 8.290 nan 0.000 0.531 43 V N 1.519 121.302 119.914 -0.218 0.000 2.638 43 V HA 0.403 4.525 4.120 0.003 0.000 0.306 43 V C -2.405 173.614 176.094 -0.124 0.000 1.052 43 V CA -1.758 60.449 62.300 -0.155 0.000 0.885 43 V CB 1.956 33.666 31.823 -0.188 0.000 0.999 43 V HN 0.072 nan 8.190 nan 0.000 0.424 44 P HA 0.233 nan 4.420 nan 0.000 0.264 44 P C -0.604 176.640 177.300 -0.093 0.000 1.183 44 P CA 0.478 63.523 63.100 -0.091 0.000 0.763 44 P CB 0.408 32.060 31.700 -0.081 0.000 0.807 45 S N 0.863 116.504 115.700 -0.098 0.000 2.541 45 S HA 0.753 5.224 4.470 0.003 0.000 0.271 45 S C -0.951 173.594 174.600 -0.091 0.000 1.133 45 S CA -0.578 57.564 58.200 -0.096 0.000 0.876 45 S CB 2.038 65.172 63.200 -0.111 0.000 1.105 45 S HN 0.511 nan 8.310 nan 0.000 0.470 46 A N 1.360 124.130 122.820 -0.083 0.000 2.340 46 A HA 0.899 5.220 4.320 0.003 0.000 0.331 46 A C -0.050 177.486 177.584 -0.079 0.000 1.140 46 A CA -0.697 51.292 52.037 -0.080 0.000 0.801 46 A CB 0.870 19.827 19.000 -0.071 0.000 1.234 46 A HN 1.123 nan 8.150 nan 0.000 0.469 47 A N 0.868 123.640 122.820 -0.080 0.000 2.401 47 A HA 0.534 4.855 4.320 0.003 0.000 0.259 47 A C -0.253 177.289 177.584 -0.070 0.000 1.103 47 A CA -0.189 51.801 52.037 -0.078 0.000 0.789 47 A CB 0.028 18.978 19.000 -0.083 0.000 1.035 47 A HN 1.112 nan 8.150 nan 0.000 0.491 48 V N 3.325 123.199 119.914 -0.066 0.000 2.311 48 V HA 0.247 4.368 4.120 0.003 0.000 0.275 48 V C 0.808 176.868 176.094 -0.058 0.000 1.022 48 V CA -0.312 61.952 62.300 -0.059 0.000 0.830 48 V CB 0.884 32.674 31.823 -0.055 0.000 1.012 48 V HN 0.950 nan 8.190 nan 0.000 0.452 49 S N 4.569 120.234 115.700 -0.058 0.000 2.549 49 S HA 0.151 4.622 4.470 0.003 0.000 0.283 49 S C 1.430 175.999 174.600 -0.052 0.000 1.320 49 S CA -0.374 57.790 58.200 -0.060 0.000 1.058 49 S CB 0.375 63.537 63.200 -0.063 0.000 0.882 49 S HN 0.855 nan 8.310 nan 0.000 0.498 50 R N 3.780 124.249 120.500 -0.052 0.000 2.299 50 R HA 0.175 4.517 4.340 0.003 0.000 0.197 50 R C 0.126 176.401 176.300 -0.042 0.000 0.971 50 R CA 0.255 56.328 56.100 -0.045 0.000 1.030 50 R CB 0.016 30.290 30.300 -0.043 0.000 0.932 50 R HN 0.432 nan 8.270 nan 0.000 0.477 51 R N 1.939 122.410 120.500 -0.047 0.000 2.346 51 R HA 0.377 4.718 4.340 0.003 0.000 0.311 51 R C -2.167 174.108 176.300 -0.040 0.000 0.983 51 R CA -2.073 54.000 56.100 -0.044 0.000 0.880 51 R CB 0.970 31.238 30.300 -0.053 0.000 1.100 51 R HN 0.062 nan 8.270 nan 0.000 0.453 58 H N -0.002 119.075 119.070 0.012 0.000 2.928 58 H HA 0.813 5.371 4.556 0.003 0.000 0.371 58 H C -0.059 175.277 175.328 0.013 0.000 1.186 58 H CA -0.597 55.461 56.048 0.018 0.000 1.134 58 H CB 1.187 30.960 29.762 0.018 0.000 1.824 58 H HN 0.308 nan 8.280 nan 0.000 0.554 59 A N 1.579 124.377 122.820 -0.036 0.000 2.445 59 A HA 0.325 4.647 4.320 0.003 0.000 0.242 59 A C -0.325 177.134 177.584 -0.210 0.000 1.075 59 A CA -0.454 51.498 52.037 -0.142 0.000 0.777 59 A CB -0.138 18.852 19.000 -0.016 0.000 1.013 59 A HN 0.521 nan 8.150 nan 0.000 0.493 60 L N 2.438 123.518 121.223 -0.238 0.000 2.276 60 L HA 0.649 4.991 4.340 0.003 0.000 0.286 60 L C 0.156 177.001 176.870 -0.041 0.000 1.024 60 L CA 0.053 54.832 54.840 -0.101 0.000 0.826 60 L CB 0.926 42.984 42.059 -0.000 0.000 1.211 60 L HN 0.749 nan 8.230 nan 0.000 0.422 61 A N 5.994 128.867 122.820 0.088 0.000 2.285 61 A HA 0.738 5.060 4.320 0.003 0.000 0.310 61 A C -0.156 177.515 177.584 0.146 0.000 1.266 61 A CA -0.628 51.529 52.037 0.200 0.000 0.832 61 A CB 0.399 19.550 19.000 0.252 0.000 1.163 61 A HN 0.741 nan 8.150 nan 0.000 0.499 62 R N 3.554 124.143 120.500 0.148 0.000 2.748 62 R HA 0.294 4.636 4.340 0.003 0.000 0.283 62 R C -0.149 176.224 176.300 0.122 0.000 1.507 62 R CA -0.174 55.998 56.100 0.119 0.000 1.666 62 R CB 0.403 30.771 30.300 0.115 0.000 1.237 62 R HN 0.747 nan 8.270 nan 0.000 0.633 63 L N -0.323 120.968 121.223 0.114 0.000 2.202 63 L HA 0.123 4.465 4.340 0.003 0.000 0.205 63 L C 1.946 178.866 176.870 0.082 0.000 1.083 63 L CA 0.929 55.836 54.840 0.111 0.000 0.790 63 L CB -0.391 41.712 42.059 0.074 0.000 0.942 63 L HN 0.722 nan 8.230 nan 0.000 0.452 64 G N 1.341 110.180 108.800 0.065 0.000 2.868 64 G HA2 -0.525 3.436 3.960 0.003 0.000 0.368 64 G HA3 -0.525 3.436 3.960 0.003 0.000 0.368 64 G C 1.386 176.314 174.900 0.046 0.000 1.209 64 G CA 1.625 46.757 45.100 0.052 0.000 1.065 64 G HN 0.473 nan 8.290 nan 0.000 0.679 65 A N 0.350 123.200 122.820 0.049 0.000 1.986 65 A HA 0.116 4.437 4.320 0.003 0.000 0.220 65 A C 2.466 180.076 177.584 0.042 0.000 1.171 65 A CA 2.769 54.832 52.037 0.043 0.000 0.640 65 A CB -0.539 18.488 19.000 0.044 0.000 0.811 65 A HN 1.542 nan 8.150 nan 0.000 0.451 66 I N -4.999 115.601 120.570 0.051 0.000 4.018 66 I HA 0.465 4.636 4.170 0.003 0.000 0.337 66 I C 1.879 178.014 176.117 0.029 0.000 1.327 66 I CA 0.626 61.954 61.300 0.046 0.000 1.100 66 I CB 0.008 38.049 38.000 0.067 0.000 1.025 66 I HN 0.087 nan 8.210 nan 0.000 0.396 67 A N 1.965 124.802 122.820 0.028 0.000 1.933 67 A HA 0.016 4.338 4.320 0.003 0.000 0.218 67 A C 2.560 180.147 177.584 0.006 0.000 1.175 67 A CA 1.853 53.897 52.037 0.013 0.000 0.628 67 A CB -0.630 18.382 19.000 0.020 0.000 0.814 67 A HN 0.572 nan 8.150 nan 0.000 0.444 68 A N -0.745 122.082 122.820 0.012 0.000 1.930 68 A HA -0.184 4.138 4.320 0.003 0.000 0.217 68 A C 2.092 179.678 177.584 0.004 0.000 1.175 68 A CA 1.677 53.718 52.037 0.008 0.000 0.627 68 A CB -0.436 18.572 19.000 0.012 0.000 0.815 68 A HN 0.646 nan 8.150 nan 0.000 0.443 69 Q N -1.084 118.720 119.800 0.006 0.000 2.269 69 Q HA 0.241 4.583 4.340 0.003 0.000 0.201 69 Q C -0.206 175.790 176.000 -0.006 0.000 0.946 69 Q CA 0.466 56.271 55.803 0.004 0.000 0.877 69 Q CB 0.145 28.890 28.738 0.012 0.000 0.963 69 Q HN 0.565 nan 8.270 nan 0.000 0.472 70 L N 1.878 123.094 121.223 -0.012 0.000 2.495 70 L HA 0.274 4.615 4.340 0.003 0.000 0.248 70 L C -1.882 174.964 176.870 -0.040 0.000 1.229 70 L CA -1.363 53.458 54.840 -0.031 0.000 0.942 70 L CB 0.992 43.026 42.059 -0.042 0.000 1.242 70 L HN -0.050 nan 8.230 nan 0.000 0.484 71 P HA -0.153 nan 4.420 nan 0.000 0.218 71 P C 0.351 177.622 177.300 -0.048 0.000 1.148 71 P CA 1.232 64.313 63.100 -0.031 0.000 0.822 71 P CB 0.410 32.096 31.700 -0.023 0.000 0.784 72 D N -0.994 119.369 120.400 -0.061 0.000 2.358 72 D HA 0.047 4.688 4.640 0.003 0.000 0.224 72 D C 1.653 177.881 176.300 -0.120 0.000 1.123 72 D CA -0.220 53.733 54.000 -0.078 0.000 0.833 72 D CB -0.274 40.485 40.800 -0.068 0.000 0.946 72 D HN 0.029 nan 8.370 nan 0.000 0.505 73 L N 1.257 122.398 121.223 -0.137 0.000 2.042 73 L HA -0.153 4.188 4.340 0.003 0.000 0.210 73 L C 2.056 178.740 176.870 -0.311 0.000 1.076 73 L CA 1.892 56.603 54.840 -0.216 0.000 0.749 73 L CB -0.338 41.597 42.059 -0.206 0.000 0.893 73 L HN -0.010 nan 8.230 nan 0.000 0.432 74 E N -1.108 118.929 120.200 -0.272 0.000 2.077 74 E HA -0.320 4.031 4.350 0.003 0.000 0.193 74 E C 2.209 178.611 176.600 -0.331 0.000 0.989 74 E CA 1.468 57.646 56.400 -0.370 0.000 0.800 74 E CB -0.207 29.381 29.700 -0.187 0.000 0.746 74 E HN 0.715 nan 8.360 nan 0.000 0.452 75 Q N 0.247 119.926 119.800 -0.202 0.000 2.124 75 Q HA -0.190 4.152 4.340 0.003 0.000 0.202 75 Q C 2.170 178.066 176.000 -0.172 0.000 0.977 75 Q CA 1.409 57.120 55.803 -0.154 0.000 0.850 75 Q CB 0.059 28.738 28.738 -0.099 0.000 0.901 75 Q HN 0.206 nan 8.270 nan 0.000 0.429 76 R N -0.143 120.241 120.500 -0.194 0.000 2.092 76 R HA -0.080 4.261 4.340 0.003 0.000 0.231 76 R C 2.373 178.540 176.300 -0.222 0.000 1.119 76 R CA 1.187 57.179 56.100 -0.179 0.000 0.970 76 R CB -0.191 30.000 30.300 -0.182 0.000 0.864 76 R HN 0.315 nan 8.270 nan 0.000 0.440 77 L N 0.506 121.511 121.223 -0.364 0.000 2.056 77 L HA -0.143 4.199 4.340 0.003 0.000 0.207 77 L C 2.165 178.856 176.870 -0.298 0.000 1.078 77 L CA 1.366 55.946 54.840 -0.433 0.000 0.749 77 L CB -0.410 41.156 42.059 -0.821 0.000 0.901 77 L HN 0.217 nan 8.230 nan 0.000 0.433 78 E N 0.042 120.065 120.200 -0.296 0.000 2.085 78 E HA -0.279 4.072 4.350 0.003 0.000 0.194 78 E C 2.197 178.681 176.600 -0.193 0.000 0.994 78 E CA 1.252 57.535 56.400 -0.195 0.000 0.801 78 E CB -0.118 29.494 29.700 -0.148 0.000 0.743 78 E HN 0.544 nan 8.360 nan 0.000 0.453 79 Q N -0.196 119.534 119.800 -0.118 0.000 2.291 79 Q HA -0.086 4.256 4.340 0.003 0.000 0.205 79 Q C 1.461 177.551 176.000 0.150 0.000 0.970 79 Q CA 1.509 57.307 55.803 -0.007 0.000 0.876 79 Q CB 0.086 28.836 28.738 0.020 0.000 0.935 79 Q HN 0.293 nan 8.270 nan 0.000 0.455 80 T N -4.187 110.423 114.554 0.092 0.000 3.243 80 T HA 0.135 4.487 4.350 0.003 0.000 0.264 80 T C -0.359 174.516 174.700 0.293 0.000 1.000 80 T CA -0.560 61.663 62.100 0.204 0.000 0.901 80 T CB -0.314 68.662 68.868 0.180 0.000 1.083 80 T HN 0.249 nan 8.240 nan 0.000 0.559 81 Y N 0.637 120.937 120.300 -0.001 0.000 3.389 81 Y HA -0.238 4.314 4.550 0.003 0.000 0.213 81 Y C 0.531 176.439 175.900 0.013 0.000 1.272 81 Y CA 0.316 58.420 58.100 0.006 0.000 1.444 81 Y CB -2.689 35.753 38.460 -0.029 0.000 1.445 81 Y HN 0.324 nan 8.280 nan 0.000 0.583 82 T N 0.606 115.203 114.554 0.072 0.000 2.870 82 T HA 0.057 4.409 4.350 0.003 0.000 0.300 82 T C 0.941 175.690 174.700 0.082 0.000 0.989 82 T CA -0.089 62.042 62.100 0.052 0.000 1.139 82 T CB 0.886 69.747 68.868 -0.013 0.000 0.920 82 T HN 0.267 nan 8.240 nan 0.000 0.537 83 D N 1.435 121.797 120.400 -0.064 0.000 2.490 83 D HA 0.283 4.925 4.640 0.003 0.000 0.244 83 D C 0.660 176.731 176.300 -0.382 0.000 0.979 83 D CA 0.336 54.194 54.000 -0.236 0.000 0.924 83 D CB 0.418 41.015 40.800 -0.339 0.000 1.075 83 D HN 0.614 nan 8.370 nan 0.000 0.488 84 A N 0.132 122.746 122.820 -0.343 0.000 2.486 84 A HA 0.592 4.913 4.320 0.003 0.000 0.300 84 A C -1.843 175.714 177.584 -0.045 0.000 1.048 84 A CA -0.562 51.363 52.037 -0.187 0.000 0.696 84 A CB 1.642 20.597 19.000 -0.074 0.000 1.278 84 A HN 0.053 nan 8.150 nan 0.000 0.405 85 F N 1.955 121.742 119.950 -0.272 0.000 2.574 85 F HA 0.754 5.283 4.527 0.002 0.000 0.313 85 F C -1.635 174.055 175.800 -0.184 0.000 1.130 85 F CA -0.763 57.142 58.000 -0.158 0.000 0.936 85 F CB 1.620 40.575 39.000 -0.076 0.000 1.219 85 F HN 0.675 nan 8.300 nan 0.000 0.445 86 L N 6.812 127.603 121.223 -0.720 0.000 2.493 86 L HA 0.764 5.105 4.340 0.003 0.000 0.265 86 L C -1.884 174.654 176.870 -0.552 0.000 0.954 86 L CA -0.656 53.890 54.840 -0.490 0.000 0.844 86 L CB 2.136 44.103 42.059 -0.153 0.000 1.302 86 L HN 0.472 nan 8.230 nan 0.000 0.405 87 V N 5.217 124.899 119.914 -0.386 0.000 2.384 87 V HA 0.440 4.561 4.120 0.003 0.000 0.287 87 V C -0.529 175.514 176.094 -0.085 0.000 1.020 87 V CA -0.477 61.685 62.300 -0.230 0.000 0.850 87 V CB 1.623 33.351 31.823 -0.158 0.000 0.987 87 V HN 0.558 nan 8.190 nan 0.000 0.436 88 L N 6.107 127.304 121.223 -0.043 0.000 2.294 88 L HA 0.566 4.908 4.340 0.003 0.000 0.283 88 L C 0.028 176.905 176.870 0.011 0.000 1.015 88 L CA -0.061 54.776 54.840 -0.006 0.000 0.831 88 L CB 0.929 42.991 42.059 0.005 0.000 1.217 88 L HN 0.633 nan 8.230 nan 0.000 0.420 89 R N 4.643 125.151 120.500 0.015 0.000 2.215 89 R HA 0.566 4.908 4.340 0.003 0.000 0.336 89 R C 0.648 176.959 176.300 0.018 0.000 0.996 89 R CA 0.597 56.710 56.100 0.022 0.000 0.847 89 R CB 0.599 30.914 30.300 0.025 0.000 1.127 89 R HN 0.952 nan 8.270 nan 0.000 0.465 90 G N 2.709 111.519 108.800 0.016 0.000 2.565 90 G HA2 -0.446 3.516 3.960 0.003 0.000 0.295 90 G HA3 -0.446 3.516 3.960 0.003 0.000 0.295 90 G C 0.566 175.472 174.900 0.009 0.000 1.165 90 G CA 0.743 45.849 45.100 0.011 0.000 0.977 90 G HN 0.660 nan 8.290 nan 0.000 0.546 91 T N -1.082 113.476 114.554 0.007 0.000 3.054 91 T HA 0.497 4.848 4.350 0.003 0.000 0.255 91 T C 0.550 175.255 174.700 0.008 0.000 1.035 91 T CA 1.223 63.326 62.100 0.005 0.000 0.941 91 T CB 0.617 69.486 68.868 0.002 0.000 1.026 91 T HN 0.757 nan 8.240 nan 0.000 0.533 92 E N 1.453 121.660 120.200 0.011 0.000 2.166 92 E HA 0.445 4.797 4.350 0.003 0.000 0.275 92 E C -1.040 175.570 176.600 0.016 0.000 0.941 92 E CA -0.791 55.618 56.400 0.015 0.000 0.784 92 E CB 1.799 31.509 29.700 0.016 0.000 1.115 92 E HN 0.057 nan 8.360 nan 0.000 0.399 93 V N 6.024 125.950 119.914 0.020 0.000 2.415 93 V HA 0.003 4.124 4.120 0.003 0.000 0.267 93 V C 1.138 177.248 176.094 0.027 0.000 1.042 93 V CA 0.056 62.369 62.300 0.022 0.000 1.000 93 V CB 0.622 32.467 31.823 0.037 0.000 1.015 93 V HN 0.688 nan 8.190 nan 0.000 0.478 94 V N 1.949 121.875 119.914 0.020 0.000 3.661 94 V HA 0.758 4.879 4.120 0.003 0.000 0.271 94 V C 0.616 176.738 176.094 0.046 0.000 1.315 94 V CA 0.612 62.931 62.300 0.032 0.000 1.072 94 V CB 0.089 31.931 31.823 0.031 0.000 0.830 94 V HN 0.871 nan 8.190 nan 0.000 0.443 95 A N -0.153 122.689 122.820 0.038 0.000 2.566 95 A HA 0.802 5.124 4.320 0.003 0.000 0.297 95 A C -0.992 176.624 177.584 0.053 0.000 1.059 95 A CA -0.513 51.572 52.037 0.080 0.000 0.691 95 A CB 1.546 20.631 19.000 0.142 0.000 1.282 95 A HN 0.394 nan 8.150 nan 0.000 0.401 96 E N -0.011 120.255 120.200 0.111 0.000 2.356 96 E HA 0.540 4.891 4.350 0.003 0.000 0.275 96 E C -2.094 174.558 176.600 0.087 0.000 0.904 96 E CA -0.565 55.856 56.400 0.035 0.000 0.757 96 E CB 2.785 32.536 29.700 0.085 0.000 1.232 96 E HN 0.661 nan 8.360 nan 0.000 0.442 97 Y N 1.741 121.876 120.300 -0.275 0.000 2.441 97 Y HA 0.467 5.018 4.550 0.002 0.000 0.334 97 Y C -2.159 173.373 175.900 -0.613 0.000 1.061 97 Y CA -0.627 57.320 58.100 -0.255 0.000 1.032 97 Y CB 1.267 39.675 38.460 -0.086 0.000 1.266 97 Y HN 0.504 nan 8.280 nan 0.000 0.441 98 Y N 4.632 124.512 120.300 -0.700 0.000 2.421 98 Y HA 0.503 5.054 4.550 0.002 0.000 0.339 98 Y C -0.282 175.166 175.900 -0.753 0.000 0.996 98 Y CA -1.313 56.496 58.100 -0.485 0.000 1.046 98 Y CB 1.575 39.993 38.460 -0.070 0.000 1.226 98 Y HN 0.690 nan 8.280 nan 0.000 0.445 99 R N 1.507 121.822 120.500 -0.309 0.000 2.774 99 R HA 0.693 5.034 4.340 0.003 0.000 0.269 99 R C -0.079 176.208 176.300 -0.022 0.000 1.068 99 R CA -0.433 55.584 56.100 -0.137 0.000 1.180 99 R CB 0.422 30.757 30.300 0.059 0.000 1.077 99 R HN 0.716 nan 8.270 nan 0.000 0.513 100 A N 0.890 123.712 122.820 0.004 0.000 2.546 100 A HA 0.366 4.687 4.320 0.003 0.000 0.243 100 A C 1.420 179.043 177.584 0.065 0.000 1.063 100 A CA 0.567 52.619 52.037 0.025 0.000 0.757 100 A CB -0.792 18.241 19.000 0.056 0.000 0.991 100 A HN 1.291 nan 8.150 nan 0.000 0.503 101 G N 0.785 109.616 108.800 0.051 0.000 2.194 101 G HA2 -0.221 3.741 3.960 0.003 0.000 0.236 101 G HA3 -0.221 3.741 3.960 0.003 0.000 0.236 101 G C 0.012 174.968 174.900 0.094 0.000 0.987 101 G CA 0.399 45.534 45.100 0.059 0.000 0.635 101 G HN 1.432 nan 8.290 nan 0.000 0.520 102 F N 2.322 122.257 119.950 -0.025 0.000 2.427 102 F HA 0.741 5.269 4.527 0.002 0.000 0.348 102 F C 0.398 176.155 175.800 -0.073 0.000 1.125 102 F CA -0.276 57.717 58.000 -0.011 0.000 0.989 102 F CB 1.223 40.261 39.000 0.064 0.000 1.165 102 F HN 0.403 nan 8.300 nan 0.000 0.442 103 A N 7.207 129.766 122.820 -0.435 0.000 2.322 103 A HA 0.461 4.782 4.320 0.003 0.000 0.269 103 A C -1.925 175.332 177.584 -0.545 0.000 1.094 103 A CA -1.389 50.413 52.037 -0.391 0.000 0.807 103 A CB 0.225 19.018 19.000 -0.344 0.000 1.047 103 A HN 0.657 nan 8.150 nan 0.000 0.487 104 P HA -0.150 nan 4.420 nan 0.000 0.217 104 P C 0.369 177.405 177.300 -0.441 0.000 1.148 104 P CA 1.749 64.211 63.100 -1.062 0.000 0.828 104 P CB 0.097 31.337 31.700 -0.767 0.000 0.783 105 D N -2.810 117.401 120.400 -0.314 0.000 2.368 105 D HA 0.034 4.675 4.640 0.003 0.000 0.218 105 D C -0.081 176.097 176.300 -0.202 0.000 1.112 105 D CA -0.132 53.764 54.000 -0.173 0.000 0.834 105 D CB -0.652 40.072 40.800 -0.128 0.000 0.953 105 D HN 0.011 nan 8.370 nan 0.000 0.505 106 D N 1.175 121.334 120.400 -0.400 0.000 2.362 106 D HA 0.198 4.840 4.640 0.003 0.000 0.242 106 D C 0.542 176.723 176.300 -0.199 0.000 1.132 106 D CA 0.047 53.734 54.000 -0.522 0.000 0.907 106 D CB 1.145 41.193 40.800 -1.253 0.000 1.195 106 D HN 0.049 nan 8.370 nan 0.000 0.429 107 R N 0.822 121.283 120.500 -0.065 0.000 2.536 107 R HA 0.407 4.748 4.340 0.003 0.000 0.279 107 R C 0.004 176.489 176.300 0.309 0.000 1.001 107 R CA -0.655 55.528 56.100 0.138 0.000 1.027 107 R CB 1.422 31.748 30.300 0.044 0.000 1.096 107 R HN 0.478 nan 8.270 nan 0.000 0.502 108 H N 1.722 120.930 119.070 0.230 0.000 2.771 108 H HA 0.185 4.743 4.556 0.003 0.000 0.361 108 H C -1.210 174.163 175.328 0.075 0.000 1.108 108 H CA -0.932 55.234 56.048 0.197 0.000 1.201 108 H CB 1.660 31.531 29.762 0.182 0.000 1.681 108 H HN 0.316 nan 8.280 nan 0.000 0.534 109 L N 4.785 126.009 121.223 0.002 0.000 2.525 109 L HA 0.002 4.343 4.340 0.003 0.000 0.278 109 L C 0.329 177.339 176.870 0.233 0.000 1.218 109 L CA 0.521 55.398 54.840 0.062 0.000 0.878 109 L CB 0.126 42.129 42.059 -0.093 0.000 1.127 109 L HN 0.714 nan 8.230 nan 0.000 0.492 110 L N 4.865 126.186 121.223 0.164 0.000 2.529 110 L HA 0.041 4.382 4.340 0.003 0.000 0.223 110 L C 1.261 178.206 176.870 0.125 0.000 1.113 110 L CA -0.296 54.627 54.840 0.139 0.000 0.861 110 L CB -0.187 41.935 42.059 0.106 0.000 1.012 110 L HN 0.745 nan 8.230 nan 0.000 0.461 111 M N 0.021 119.721 119.600 0.166 0.000 7.319 111 M HA -0.374 4.107 4.480 0.003 0.000 0.170 111 M C 1.570 177.956 176.300 0.144 0.000 0.480 111 M CA 2.048 57.461 55.300 0.189 0.000 1.311 111 M CB -1.626 31.058 32.600 0.140 0.000 0.421 111 M HN 0.225 nan 8.290 nan 0.000 0.514 112 A N 0.034 122.951 122.820 0.161 0.000 2.239 112 A HA 0.229 4.550 4.320 0.003 0.000 0.209 112 A C 1.914 179.594 177.584 0.159 0.000 1.171 112 A CA 1.298 53.459 52.037 0.206 0.000 0.768 112 A CB -0.555 18.672 19.000 0.379 0.000 0.790 112 A HN 0.511 nan 8.150 nan 0.000 0.478 113 V N -0.002 119.976 119.914 0.106 0.000 2.568 113 V HA -0.244 3.878 4.120 0.003 0.000 0.253 113 V C 2.619 178.719 176.094 0.010 0.000 1.072 113 V CA 2.177 64.502 62.300 0.043 0.000 1.084 113 V CB -0.766 31.088 31.823 0.051 0.000 0.676 113 V HN 0.615 nan 8.190 nan 0.000 0.469 114 S N -0.334 115.394 115.700 0.047 0.000 2.402 114 S HA -0.269 4.203 4.470 0.003 0.000 0.233 114 S C 1.954 176.563 174.600 0.016 0.000 1.030 114 S CA 1.560 59.782 58.200 0.036 0.000 1.003 114 S CB -0.291 62.925 63.200 0.027 0.000 0.813 114 S HN 0.645 nan 8.310 nan 0.000 0.477 115 K N 1.086 121.494 120.400 0.014 0.000 2.097 115 K HA -0.010 4.312 4.320 0.003 0.000 0.206 115 K C 2.356 178.911 176.600 -0.076 0.000 1.049 115 K CA 1.438 57.724 56.287 -0.001 0.000 0.933 115 K CB -0.256 32.284 32.500 0.065 0.000 0.717 115 K HN 0.219 nan 8.250 nan 0.000 0.442 116 S N 1.467 117.030 115.700 -0.228 0.000 2.402 116 S HA -0.029 4.442 4.470 0.003 0.000 0.229 116 S C 1.911 176.404 174.600 -0.179 0.000 1.021 116 S CA 0.830 58.707 58.200 -0.539 0.000 0.974 116 S CB -0.156 62.306 63.200 -1.231 0.000 0.800 116 S HN 0.200 nan 8.310 nan 0.000 0.484 117 L N 0.421 121.621 121.223 -0.037 0.000 2.056 117 L HA -0.113 4.228 4.340 0.003 0.000 0.207 117 L C 2.747 179.708 176.870 0.152 0.000 1.078 117 L CA 0.844 55.750 54.840 0.110 0.000 0.749 117 L CB -0.813 41.329 42.059 0.138 0.000 0.901 117 L HN 0.454 nan 8.230 nan 0.000 0.433 118 C N 0.785 120.171 119.300 0.144 0.000 2.429 118 C HA -0.085 4.376 4.460 0.003 0.000 0.277 118 C C 2.925 178.001 174.990 0.142 0.000 1.262 118 C CA 1.001 60.133 59.018 0.191 0.000 1.733 118 C CB -1.225 26.560 27.740 0.075 0.000 2.010 118 C HN 0.647 nan 8.230 nan 0.000 0.483 119 G N -0.487 108.394 108.800 0.135 0.000 2.450 119 G HA2 -0.173 3.789 3.960 0.003 0.000 0.220 119 G HA3 -0.173 3.789 3.960 0.003 0.000 0.220 119 G C 1.745 176.808 174.900 0.271 0.000 1.130 119 G CA 1.630 46.875 45.100 0.241 0.000 0.760 119 G HN 0.568 nan 8.290 nan 0.000 0.557 120 T N 0.743 115.439 114.554 0.238 0.000 2.777 120 T HA -0.088 4.264 4.350 0.003 0.000 0.266 120 T C 2.566 177.234 174.700 -0.053 0.000 1.040 120 T CA 1.129 63.318 62.100 0.147 0.000 1.141 120 T CB -0.207 68.800 68.868 0.231 0.000 0.868 120 T HN 0.080 nan 8.240 nan 0.000 0.444 121 V N 1.371 121.296 119.914 0.019 0.000 2.343 121 V HA -0.152 3.969 4.120 0.003 0.000 0.247 121 V C 2.670 178.641 176.094 -0.205 0.000 1.051 121 V CA 1.285 63.557 62.300 -0.046 0.000 1.036 121 V CB -0.757 31.104 31.823 0.064 0.000 0.654 121 V HN 0.311 nan 8.190 nan 0.000 0.451 122 V N 1.022 120.845 119.914 -0.151 0.000 2.287 122 V HA -0.216 3.906 4.120 0.003 0.000 0.248 122 V C 2.671 178.472 176.094 -0.488 0.000 1.053 122 V CA 2.266 64.432 62.300 -0.224 0.000 1.027 122 V CB -1.487 30.302 31.823 -0.057 0.000 0.646 122 V HN 0.616 nan 8.190 nan 0.000 0.447 123 G N -0.471 107.801 108.800 -0.881 0.000 2.442 123 G HA2 -0.232 3.730 3.960 0.003 0.000 0.219 123 G HA3 -0.232 3.730 3.960 0.003 0.000 0.219 123 G C 1.755 176.136 174.900 -0.865 0.000 1.141 123 G CA 1.104 45.133 45.100 -1.784 0.000 0.763 123 G HN 0.625 nan 8.290 nan 0.000 0.554 124 A N 0.487 122.995 122.820 -0.520 0.000 1.902 124 A HA 0.111 4.432 4.320 0.003 0.000 0.217 124 A C 2.405 179.846 177.584 -0.239 0.000 1.181 124 A CA 1.247 53.129 52.037 -0.259 0.000 0.623 124 A CB -0.354 18.605 19.000 -0.069 0.000 0.818 124 A HN 0.362 nan 8.150 nan 0.000 0.443 125 L N -0.636 120.376 121.223 -0.351 0.000 2.217 125 L HA -0.092 4.249 4.340 0.003 0.000 0.211 125 L C 2.393 179.146 176.870 -0.195 0.000 1.107 125 L CA 0.464 55.127 54.840 -0.294 0.000 0.783 125 L CB -0.328 41.508 42.059 -0.373 0.000 0.919 125 L HN 0.227 nan 8.230 nan 0.000 0.442 126 V N -0.179 119.599 119.914 -0.227 0.000 2.358 126 V HA -0.295 3.827 4.120 0.003 0.000 0.246 126 V C 2.180 178.235 176.094 -0.064 0.000 1.047 126 V CA 2.043 64.273 62.300 -0.118 0.000 1.035 126 V CB -0.415 31.356 31.823 -0.085 0.000 0.658 126 V HN 0.448 nan 8.190 nan 0.000 0.452 127 D N 0.182 120.521 120.400 -0.103 0.000 2.178 127 D HA -0.173 4.468 4.640 0.003 0.000 0.201 127 D C 2.104 178.396 176.300 -0.013 0.000 0.980 127 D CA 1.187 55.164 54.000 -0.039 0.000 0.842 127 D CB -0.046 40.721 40.800 -0.055 0.000 0.948 127 D HN 0.540 nan 8.370 nan 0.000 0.472 128 E N -1.120 119.067 120.200 -0.022 0.000 2.481 128 E HA 0.149 4.500 4.350 0.003 0.000 0.195 128 E C 1.214 177.820 176.600 0.009 0.000 1.047 128 E CA 0.452 56.856 56.400 0.008 0.000 0.867 128 E CB 0.197 29.915 29.700 0.030 0.000 0.858 128 E HN 0.368 nan 8.360 nan 0.000 0.513 129 G N 1.931 110.731 108.800 0.000 0.000 2.136 129 G HA2 -0.335 3.626 3.960 0.003 0.000 0.242 129 G HA3 -0.335 3.626 3.960 0.003 0.000 0.242 129 G C 0.818 175.732 174.900 0.022 0.000 0.989 129 G CA 0.441 45.552 45.100 0.018 0.000 0.682 129 G HN 0.253 nan 8.290 nan 0.000 0.522 130 R N -0.865 119.631 120.500 -0.007 0.000 2.254 130 R HA 0.405 4.746 4.340 0.003 0.000 0.195 130 R C 0.857 177.134 176.300 -0.037 0.000 0.957 130 R CA 0.529 56.627 56.100 -0.004 0.000 1.024 130 R CB 0.600 30.880 30.300 -0.033 0.000 0.952 130 R HN 0.479 nan 8.270 nan 0.000 0.484 131 I N 1.007 121.524 120.570 -0.090 0.000 2.498 131 I HA 0.146 4.318 4.170 0.003 0.000 0.290 131 I C -1.120 175.008 176.117 0.019 0.000 1.032 131 I CA -0.978 60.226 61.300 -0.160 0.000 1.073 131 I CB 2.297 40.109 38.000 -0.314 0.000 1.251 131 I HN -0.180 nan 8.210 nan 0.000 0.426 132 D N 8.392 128.892 120.400 0.166 0.000 2.427 132 D HA 0.328 4.969 4.640 0.003 0.000 0.226 132 D C -1.906 174.493 176.300 0.165 0.000 1.076 132 D CA -2.316 51.777 54.000 0.155 0.000 0.849 132 D CB 2.035 42.929 40.800 0.157 0.000 1.052 132 D HN 0.120 nan 8.370 nan 0.000 0.515 133 P HA -0.089 nan 4.420 nan 0.000 0.220 133 P C 0.836 178.202 177.300 0.111 0.000 1.144 133 P CA 0.912 64.089 63.100 0.129 0.000 0.800 133 P CB 0.289 32.077 31.700 0.146 0.000 0.772 134 A N -1.557 121.321 122.820 0.096 0.000 2.067 134 A HA -0.075 4.247 4.320 0.003 0.000 0.217 134 A C 1.352 178.974 177.584 0.063 0.000 1.156 134 A CA 0.747 52.825 52.037 0.067 0.000 0.683 134 A CB -0.593 18.437 19.000 0.051 0.000 0.808 134 A HN 0.124 nan 8.150 nan 0.000 0.455 135 Q N 0.528 120.384 119.800 0.093 0.000 2.354 135 Q HA 0.246 4.587 4.340 0.003 0.000 0.244 135 Q C -2.440 173.596 176.000 0.060 0.000 0.969 135 Q CA -1.977 53.858 55.803 0.054 0.000 0.885 135 Q CB 0.357 29.120 28.738 0.040 0.000 1.241 135 Q HN 0.275 nan 8.270 nan 0.000 0.461 136 P HA 0.004 nan 4.420 nan 0.000 0.272 136 P C 0.805 178.115 177.300 0.017 0.000 1.223 136 P CA -0.063 63.036 63.100 -0.002 0.000 0.784 136 P CB 0.744 32.420 31.700 -0.041 0.000 0.923 137 V N 2.236 122.179 119.914 0.047 0.000 2.317 137 V HA -0.280 3.841 4.120 0.003 0.000 0.251 137 V C 2.530 178.604 176.094 -0.034 0.000 1.065 137 V CA 3.070 65.399 62.300 0.048 0.000 1.049 137 V CB -2.073 29.759 31.823 0.014 0.000 0.651 137 V HN 0.734 nan 8.190 nan 0.000 0.450 138 T N -1.705 112.799 114.554 -0.083 0.000 3.051 138 T HA -0.166 4.186 4.350 0.003 0.000 0.269 138 T C 1.599 176.185 174.700 -0.189 0.000 1.127 138 T CA 1.275 63.294 62.100 -0.136 0.000 1.107 138 T CB -0.266 68.538 68.868 -0.108 0.000 0.898 138 T HN 0.521 nan 8.240 nan 0.000 0.517 139 E N 0.785 120.825 120.200 -0.266 0.000 2.204 139 E HA -0.117 4.235 4.350 0.003 0.000 0.195 139 E C 1.045 177.298 176.600 -0.579 0.000 0.990 139 E CA 1.300 57.419 56.400 -0.470 0.000 0.821 139 E CB -0.375 28.916 29.700 -0.683 0.000 0.750 139 E HN 0.786 nan 8.360 nan 0.000 0.477 140 Y N -1.598 118.629 120.300 -0.122 0.000 2.558 140 Y HA 0.319 4.871 4.550 0.002 0.000 0.273 140 Y C 0.401 176.170 175.900 -0.219 0.000 1.100 140 Y CA -0.060 57.958 58.100 -0.136 0.000 1.276 140 Y CB 1.038 39.428 38.460 -0.116 0.000 1.196 140 Y HN -0.189 nan 8.280 nan 0.000 0.527 141 V N 2.506 122.313 119.914 -0.179 0.000 2.315 141 V HA 0.225 4.347 4.120 0.003 0.000 0.265 141 V C -2.080 173.812 176.094 -0.336 0.000 1.019 141 V CA -1.386 60.660 62.300 -0.424 0.000 0.824 141 V CB 1.096 32.385 31.823 -0.889 0.000 1.072 141 V HN -0.002 nan 8.190 nan 0.000 0.448 142 P HA -0.121 nan 4.420 nan 0.000 0.219 142 P C 1.204 178.412 177.300 -0.154 0.000 1.146 142 P CA 1.030 64.031 63.100 -0.165 0.000 0.808 142 P CB 0.424 32.048 31.700 -0.126 0.000 0.779 143 E N -1.095 118.997 120.200 -0.182 0.000 2.478 143 E HA -0.020 4.332 4.350 0.003 0.000 0.198 143 E C 1.428 177.964 176.600 -0.106 0.000 1.046 143 E CA 0.429 56.767 56.400 -0.103 0.000 0.870 143 E CB -0.789 28.904 29.700 -0.012 0.000 0.818 143 E HN 0.275 nan 8.360 nan 0.000 0.527 144 L N 0.210 121.307 121.223 -0.210 0.000 2.591 144 L HA 0.218 4.559 4.340 0.003 0.000 0.228 144 L C 0.690 177.527 176.870 -0.056 0.000 1.133 144 L CA -0.566 54.196 54.840 -0.130 0.000 0.880 144 L CB -0.148 41.786 42.059 -0.209 0.000 1.033 144 L HN 0.027 nan 8.230 nan 0.000 0.450 145 A N -0.147 122.632 122.820 -0.069 0.000 2.531 145 A HA 0.353 4.675 4.320 0.003 0.000 0.236 145 A C 1.483 179.049 177.584 -0.031 0.000 1.062 145 A CA 0.771 52.779 52.037 -0.049 0.000 0.760 145 A CB -0.158 18.810 19.000 -0.053 0.000 0.995 145 A HN 0.577 nan 8.150 nan 0.000 0.501 146 G N 0.701 109.483 108.800 -0.031 0.000 2.199 146 G HA2 -0.174 3.787 3.960 0.003 0.000 0.254 146 G HA3 -0.174 3.787 3.960 0.003 0.000 0.254 146 G C 0.619 175.501 174.900 -0.030 0.000 0.982 146 G CA 1.160 46.243 45.100 -0.028 0.000 0.632 146 G HN 2.227 nan 8.290 nan 0.000 0.529 147 S N -1.530 114.156 115.700 -0.023 0.000 2.767 147 S HA 0.682 5.153 4.470 0.003 0.000 0.300 147 S C 1.259 175.810 174.600 -0.081 0.000 1.123 147 S CA 0.331 58.513 58.200 -0.030 0.000 0.992 147 S CB 1.851 65.073 63.200 0.037 0.000 1.138 147 S HN 1.213 nan 8.310 nan 0.000 0.550 148 V N 0.456 120.265 119.914 -0.175 0.000 2.867 148 V HA -0.048 4.074 4.120 0.003 0.000 0.260 148 V C 0.780 176.634 176.094 -0.400 0.000 1.099 148 V CA 1.419 63.529 62.300 -0.316 0.000 1.122 148 V CB -1.181 30.372 31.823 -0.449 0.000 0.708 148 V HN 0.822 nan 8.190 nan 0.000 0.490 149 Y N -0.481 119.770 120.300 -0.082 0.000 2.461 149 Y HA 0.299 4.850 4.550 0.002 0.000 0.277 149 Y C 0.830 176.679 175.900 -0.085 0.000 1.182 149 Y CA -0.375 57.675 58.100 -0.084 0.000 1.276 149 Y CB -0.002 38.402 38.460 -0.094 0.000 1.087 149 Y HN 0.243 nan 8.280 nan 0.000 0.519 150 D N 0.069 120.472 120.400 0.004 0.000 2.411 150 D HA 0.397 5.039 4.640 0.003 0.000 0.225 150 D C 0.987 177.266 176.300 -0.034 0.000 1.156 150 D CA 0.912 54.899 54.000 -0.021 0.000 0.874 150 D CB 0.525 41.305 40.800 -0.035 0.000 1.034 150 D HN 0.456 nan 8.370 nan 0.000 0.502 151 G N 4.700 113.485 108.800 -0.025 0.000 3.131 151 G HA2 -0.182 3.780 3.960 0.003 0.000 0.198 151 G HA3 -0.182 3.780 3.960 0.003 0.000 0.198 151 G C -1.960 172.931 174.900 -0.015 0.000 1.435 151 G CA -0.495 44.588 45.100 -0.028 0.000 1.016 151 G HN 0.543 nan 8.290 nan 0.000 0.499 152 P HA 0.435 nan 4.420 nan 0.000 0.269 152 P C 0.401 177.723 177.300 0.035 0.000 1.215 152 P CA 0.653 63.759 63.100 0.010 0.000 0.780 152 P CB 1.091 32.798 31.700 0.011 0.000 0.898 153 S N 0.226 115.949 115.700 0.038 0.000 2.632 153 S HA 0.151 4.623 4.470 0.003 0.000 0.267 153 S C 1.248 175.894 174.600 0.076 0.000 1.276 153 S CA -0.684 57.549 58.200 0.055 0.000 0.998 153 S CB 0.419 63.648 63.200 0.049 0.000 0.953 153 S HN 0.150 nan 8.310 nan 0.000 0.547 154 V N 1.184 121.157 119.914 0.098 0.000 2.407 154 V HA -0.131 3.991 4.120 0.003 0.000 0.248 154 V C 2.332 178.478 176.094 0.087 0.000 1.055 154 V CA 1.798 64.153 62.300 0.093 0.000 1.049 154 V CB -1.112 30.773 31.823 0.103 0.000 0.662 154 V HN 0.821 nan 8.190 nan 0.000 0.455 155 L N 0.011 121.286 121.223 0.087 0.000 2.083 155 L HA -0.184 4.158 4.340 0.003 0.000 0.209 155 L C 2.413 179.323 176.870 0.067 0.000 1.083 155 L CA 1.866 56.754 54.840 0.080 0.000 0.752 155 L CB -0.697 41.400 42.059 0.063 0.000 0.899 155 L HN 0.346 nan 8.230 nan 0.000 0.433 156 Q N -1.446 118.389 119.800 0.058 0.000 2.167 156 Q HA -0.143 4.199 4.340 0.003 0.000 0.202 156 Q C 2.133 178.162 176.000 0.048 0.000 0.970 156 Q CA 1.554 57.384 55.803 0.046 0.000 0.855 156 Q CB -0.094 28.662 28.738 0.030 0.000 0.911 156 Q HN 0.468 nan 8.270 nan 0.000 0.438 157 V N 0.891 120.845 119.914 0.067 0.000 2.307 157 V HA -0.253 3.869 4.120 0.003 0.000 0.245 157 V C 2.161 178.288 176.094 0.055 0.000 1.045 157 V CA 1.444 63.784 62.300 0.066 0.000 1.024 157 V CB -0.497 31.363 31.823 0.061 0.000 0.651 157 V HN 0.341 nan 8.190 nan 0.000 0.449 158 L N 0.012 121.286 121.223 0.085 0.000 2.081 158 L HA -0.220 4.122 4.340 0.003 0.000 0.212 158 L C 1.885 178.859 176.870 0.174 0.000 1.080 158 L CA 1.582 56.497 54.840 0.125 0.000 0.754 158 L CB -0.478 41.667 42.059 0.143 0.000 0.893 158 L HN 0.365 nan 8.230 nan 0.000 0.433 159 D N -1.142 119.348 120.400 0.150 0.000 2.339 159 D HA 0.063 4.705 4.640 0.003 0.000 0.217 159 D C 0.774 177.190 176.300 0.193 0.000 1.050 159 D CA 0.176 54.316 54.000 0.233 0.000 0.856 159 D CB 0.393 41.278 40.800 0.141 0.000 0.922 159 D HN 0.073 nan 8.370 nan 0.000 0.518 160 M N 0.180 119.787 119.600 0.013 0.000 2.297 160 M HA -0.251 4.231 4.480 0.003 0.000 0.200 160 M C -0.476 175.710 176.300 -0.190 0.000 0.414 160 M CA 0.709 55.869 55.300 -0.233 0.000 0.449 160 M CB -2.308 29.917 32.600 -0.625 0.000 1.436 160 M HN 0.165 nan 8.290 nan 0.000 0.912 161 Q N 0.198 119.959 119.800 -0.066 0.000 2.354 161 Q HA 0.569 4.910 4.340 0.003 0.000 0.372 161 Q C -0.279 175.681 176.000 -0.067 0.000 0.923 161 Q CA -0.020 55.761 55.803 -0.037 0.000 1.123 161 Q CB 0.805 29.563 28.738 0.032 0.000 1.298 161 Q HN 0.597 nan 8.270 nan 0.000 0.419 162 I N -0.055 120.439 120.570 -0.126 0.000 2.466 162 I HA 0.234 4.406 4.170 0.003 0.000 0.289 162 I C -0.098 175.914 176.117 -0.174 0.000 1.026 162 I CA -0.834 60.381 61.300 -0.143 0.000 1.078 162 I CB 2.193 40.089 38.000 -0.173 0.000 1.249 162 I HN -0.026 nan 8.210 nan 0.000 0.429 163 S N 6.974 122.588 115.700 -0.143 0.000 2.481 163 S HA 0.600 5.071 4.470 0.003 0.000 0.276 163 S C -0.533 173.973 174.600 -0.156 0.000 1.247 163 S CA -0.115 58.007 58.200 -0.129 0.000 1.053 163 S CB -0.074 63.074 63.200 -0.088 0.000 0.925 163 S HN 0.404 nan 8.310 nan 0.000 0.491 164 I N 3.381 123.864 120.570 -0.144 0.000 2.619 164 I HA 0.255 4.426 4.170 0.003 0.000 0.292 164 I C -0.747 175.343 176.117 -0.044 0.000 1.100 164 I CA -0.893 60.324 61.300 -0.138 0.000 1.043 164 I CB 2.102 39.989 38.000 -0.188 0.000 1.239 164 I HN 0.457 nan 8.210 nan 0.000 0.420 165 D N 5.694 126.075 120.400 -0.032 0.000 2.498 165 D HA 0.063 4.704 4.640 0.003 0.000 0.229 165 D C -1.374 174.976 176.300 0.082 0.000 1.188 165 D CA 0.677 54.681 54.000 0.007 0.000 1.028 165 D CB -0.235 40.552 40.800 -0.021 0.000 1.087 165 D HN 0.406 nan 8.370 nan 0.000 0.510 166 Y N 2.871 123.143 120.300 -0.048 0.000 2.287 166 Y HA 0.194 4.745 4.550 0.003 0.000 0.325 166 Y C -1.032 174.862 175.900 -0.009 0.000 1.139 166 Y CA -1.246 56.847 58.100 -0.012 0.000 1.167 166 Y CB 0.736 39.185 38.460 -0.018 0.000 1.158 166 Y HN 0.045 nan 8.280 nan 0.000 0.434 167 N N 4.342 123.062 118.700 0.033 0.000 2.415 167 N HA 0.024 4.765 4.740 0.003 0.000 0.250 167 N C -0.342 175.202 175.510 0.058 0.000 1.127 167 N CA 0.087 53.162 53.050 0.040 0.000 0.945 167 N CB 0.818 39.289 38.487 -0.026 0.000 1.196 167 N HN 0.754 nan 8.380 nan 0.000 0.499 168 E N 2.392 122.690 120.200 0.164 0.000 2.261 168 E HA 0.024 4.376 4.350 0.003 0.000 0.308 168 E C -1.086 175.326 176.600 -0.312 0.000 1.400 168 E CA -0.260 56.176 56.400 0.060 0.000 1.542 168 E CB -0.355 29.430 29.700 0.142 0.000 1.369 168 E HN 0.366 nan 8.360 nan 0.000 0.493 169 D N 1.008 121.266 120.400 -0.237 0.000 2.349 169 D HA 0.026 4.668 4.640 0.003 0.000 0.232 169 D C -0.225 175.975 176.300 -0.167 0.000 1.071 169 D CA -0.561 53.306 54.000 -0.223 0.000 0.832 169 D CB 0.596 41.363 40.800 -0.054 0.000 1.086 169 D HN 0.294 nan 8.370 nan 0.000 0.504 170 Y N 1.971 122.364 120.300 0.156 0.000 2.546 170 Y HA -0.000 4.551 4.550 0.003 0.000 0.287 170 Y C 1.977 177.968 175.900 0.152 0.000 1.158 170 Y CA 0.124 58.328 58.100 0.173 0.000 1.307 170 Y CB 0.076 38.649 38.460 0.189 0.000 1.036 170 Y HN 0.368 nan 8.280 nan 0.000 0.532 171 V N -4.288 115.760 119.914 0.223 0.000 3.635 171 V HA 0.177 4.299 4.120 0.003 0.000 0.266 171 V C 0.254 176.417 176.094 0.115 0.000 1.316 171 V CA -0.050 62.352 62.300 0.171 0.000 1.060 171 V CB 0.277 32.194 31.823 0.155 0.000 0.820 171 V HN -0.007 nan 8.190 nan 0.000 0.447 172 D N 3.371 123.824 120.400 0.087 0.000 2.339 172 D HA 0.232 4.874 4.640 0.003 0.000 0.256 172 D C -1.278 175.056 176.300 0.057 0.000 1.214 172 D CA -2.081 51.955 54.000 0.058 0.000 0.877 172 D CB 1.970 42.790 40.800 0.034 0.000 1.111 172 D HN 0.216 nan 8.370 nan 0.000 0.478 173 P HA -0.065 nan 4.420 nan 0.000 0.228 173 P C 0.591 177.913 177.300 0.037 0.000 1.151 173 P CA 0.517 63.648 63.100 0.052 0.000 0.770 173 P CB 0.297 32.026 31.700 0.049 0.000 0.786 174 A N -0.089 122.748 122.820 0.027 0.000 2.238 174 A HA 0.164 4.485 4.320 0.003 0.000 0.210 174 A C 1.282 178.864 177.584 -0.003 0.000 1.179 174 A CA 0.141 52.188 52.037 0.015 0.000 0.827 174 A CB -0.725 18.284 19.000 0.015 0.000 0.856 174 A HN 0.337 nan 8.150 nan 0.000 0.488 175 S N -0.260 115.434 115.700 -0.010 0.000 2.584 175 S HA 0.188 4.659 4.470 0.003 0.000 0.270 175 S C 0.554 175.089 174.600 -0.107 0.000 1.346 175 S CA 0.137 58.303 58.200 -0.056 0.000 1.018 175 S CB 0.794 63.965 63.200 -0.049 0.000 0.899 175 S HN 0.280 nan 8.310 nan 0.000 0.542 176 E N 0.910 120.961 120.200 -0.250 0.000 2.265 176 E HA -0.038 4.313 4.350 0.003 0.000 0.196 176 E C 1.839 178.201 176.600 -0.398 0.000 0.996 176 E CA 0.764 56.930 56.400 -0.390 0.000 0.832 176 E CB -0.518 28.673 29.700 -0.848 0.000 0.756 176 E HN 0.521 nan 8.360 nan 0.000 0.491 177 V N 0.967 120.708 119.914 -0.288 0.000 2.287 177 V HA -0.319 3.802 4.120 0.003 0.000 0.248 177 V C 2.180 178.329 176.094 0.092 0.000 1.053 177 V CA 1.951 64.282 62.300 0.051 0.000 1.027 177 V CB -0.425 31.491 31.823 0.154 0.000 0.646 177 V HN 0.353 nan 8.190 nan 0.000 0.447 178 Q N -0.765 119.066 119.800 0.051 0.000 2.123 178 Q HA -0.134 4.208 4.340 0.003 0.000 0.199 178 Q C 2.337 178.347 176.000 0.017 0.000 0.966 178 Q CA 1.806 57.653 55.803 0.074 0.000 0.845 178 Q CB -0.357 28.425 28.738 0.072 0.000 0.907 178 Q HN 0.632 nan 8.270 nan 0.000 0.439 179 T N 0.028 114.559 114.554 -0.039 0.000 2.788 179 T HA -0.185 4.167 4.350 0.003 0.000 0.268 179 T C 1.596 176.095 174.700 -0.335 0.000 1.044 179 T CA 1.389 63.436 62.100 -0.088 0.000 1.139 179 T CB -0.350 68.530 68.868 0.019 0.000 0.867 179 T HN 0.467 nan 8.240 nan 0.000 0.454 180 H N 0.730 119.385 119.070 -0.692 0.000 2.319 180 H HA -0.125 4.432 4.556 0.003 0.000 0.299 180 H C 1.970 177.127 175.328 -0.284 0.000 1.092 180 H CA 1.265 56.733 56.048 -0.967 0.000 1.302 180 H CB 0.135 29.615 29.762 -0.471 0.000 1.373 180 H HN 0.186 nan 8.280 nan 0.000 0.497 181 D N -0.046 120.394 120.400 0.068 0.000 2.117 181 D HA -0.122 4.520 4.640 0.003 0.000 0.197 181 D C 2.333 178.678 176.300 0.076 0.000 0.987 181 D CA 0.973 55.047 54.000 0.123 0.000 0.829 181 D CB -0.156 40.773 40.800 0.215 0.000 0.961 181 D HN 0.392 nan 8.370 nan 0.000 0.460 182 R N 0.262 120.782 120.500 0.033 0.000 2.092 182 R HA 0.017 4.359 4.340 0.003 0.000 0.231 182 R C 2.305 178.613 176.300 0.014 0.000 1.119 182 R CA 0.927 57.044 56.100 0.028 0.000 0.970 182 R CB -0.177 30.136 30.300 0.021 0.000 0.864 182 R HN 0.040 nan 8.270 nan 0.000 0.440 183 S N 0.439 116.123 115.700 -0.027 0.000 2.423 183 S HA -0.056 4.416 4.470 0.003 0.000 0.231 183 S C 1.717 176.337 174.600 0.034 0.000 1.014 183 S CA 1.164 59.360 58.200 -0.006 0.000 0.965 183 S CB 0.214 63.380 63.200 -0.056 0.000 0.785 183 S HN 0.448 nan 8.310 nan 0.000 0.495 184 A N -0.216 122.641 122.820 0.061 0.000 2.288 184 A HA 0.586 4.907 4.320 0.003 0.000 0.216 184 A C 1.496 179.086 177.584 0.009 0.000 1.199 184 A CA 0.629 52.712 52.037 0.078 0.000 0.891 184 A CB -0.105 19.034 19.000 0.232 0.000 0.923 184 A HN 0.785 nan 8.150 nan 0.000 0.500 185 G N -2.733 106.083 108.800 0.027 0.000 2.163 185 G HA2 -0.243 3.718 3.960 0.003 0.000 0.213 185 G HA3 -0.243 3.718 3.960 0.003 0.000 0.213 185 G C 0.429 175.381 174.900 0.087 0.000 0.991 185 G CA 0.327 45.452 45.100 0.041 0.000 0.653 185 G HN 0.361 nan 8.290 nan 0.000 0.518 186 W N 0.866 122.010 121.300 -0.259 0.000 2.678 186 W HA 0.434 5.095 4.660 0.002 0.000 0.256 186 W C 1.601 178.036 176.519 -0.140 0.000 1.280 186 W CA 0.621 57.801 57.345 -0.276 0.000 1.345 186 W CB 0.172 29.398 29.460 -0.389 0.000 1.118 186 W HN 0.233 nan 8.180 nan 0.000 0.629 187 R N -1.496 119.072 120.500 0.113 0.000 2.836 187 R HA 0.360 4.702 4.340 0.003 0.000 0.269 187 R C -0.320 176.004 176.300 0.041 0.000 1.010 187 R CA -0.805 55.333 56.100 0.063 0.000 0.930 187 R CB 1.279 31.632 30.300 0.087 0.000 1.218 187 R HN -0.406 nan 8.270 nan 0.000 0.473 188 T N 2.431 117.002 114.554 0.030 0.000 2.888 188 T HA 0.105 4.457 4.350 0.003 0.000 0.301 188 T C 0.354 175.076 174.700 0.037 0.000 1.001 188 T CA 0.019 62.136 62.100 0.028 0.000 1.147 188 T CB 0.217 69.099 68.868 0.024 0.000 0.931 188 T HN 0.201 nan 8.240 nan 0.000 0.541 189 R N 2.566 123.089 120.500 0.038 0.000 2.623 189 R HA 0.252 4.593 4.340 0.003 0.000 0.271 189 R C 0.548 176.879 176.300 0.051 0.000 1.043 189 R CA -0.003 56.122 56.100 0.042 0.000 1.083 189 R CB 0.572 30.897 30.300 0.041 0.000 0.974 189 R HN 0.522 nan 8.270 nan 0.000 0.436 190 R N 0.680 121.213 120.500 0.054 0.000 2.720 190 R HA 0.158 4.500 4.340 0.003 0.000 0.272 190 R C -0.347 176.007 176.300 0.090 0.000 0.991 190 R CA -1.040 55.105 56.100 0.074 0.000 1.010 190 R CB 0.919 31.259 30.300 0.066 0.000 1.141 190 R HN 0.540 nan 8.270 nan 0.000 0.494 191 H N -0.195 118.893 119.070 0.029 0.000 2.964 191 H HA 0.121 4.678 4.556 0.002 0.000 0.328 191 H C 1.175 176.522 175.328 0.033 0.000 1.030 191 H CA 2.115 58.181 56.048 0.030 0.000 1.445 191 H CB 0.481 30.259 29.762 0.026 0.000 1.449 191 H HN 0.810 nan 8.280 nan 0.000 0.581 192 G N 3.721 112.243 108.800 -0.464 0.000 2.217 192 G HA2 -0.268 3.694 3.960 0.003 0.000 0.246 192 G HA3 -0.268 3.694 3.960 0.003 0.000 0.246 192 G C 0.059 174.901 174.900 -0.097 0.000 0.990 192 G CA 0.109 45.045 45.100 -0.272 0.000 0.627 192 G HN 0.697 nan 8.290 nan 0.000 0.522 193 D N 2.179 122.549 120.400 -0.050 0.000 2.382 193 D HA 0.449 5.090 4.640 0.003 0.000 0.240 193 D C -1.705 174.607 176.300 0.019 0.000 1.146 193 D CA -0.712 53.294 54.000 0.010 0.000 0.897 193 D CB 0.589 41.403 40.800 0.022 0.000 1.197 193 D HN 0.153 nan 8.370 nan 0.000 0.432 194 P HA 0.076 nan 4.420 nan 0.000 0.269 194 P C -0.093 177.238 177.300 0.052 0.000 1.215 194 P CA -0.148 63.001 63.100 0.080 0.000 0.780 194 P CB 0.637 32.440 31.700 0.172 0.000 0.898 195 A N 1.818 124.662 122.820 0.039 0.000 1.968 195 A HA 0.018 4.339 4.320 0.003 0.000 0.217 195 A C 0.467 178.063 177.584 0.019 0.000 1.169 195 A CA 1.642 53.694 52.037 0.026 0.000 0.638 195 A CB -0.771 18.244 19.000 0.025 0.000 0.812 195 A HN 0.731 nan 8.150 nan 0.000 0.446 196 D N -5.624 114.783 120.400 0.012 0.000 2.759 196 D HA 0.328 4.970 4.640 0.003 0.000 0.321 196 D C 0.372 176.634 176.300 -0.063 0.000 1.267 196 D CA 0.124 54.099 54.000 -0.042 0.000 0.933 196 D CB -0.051 40.695 40.800 -0.091 0.000 1.431 196 D HN -0.206 nan 8.370 nan 0.000 0.504 197 T N -0.987 113.453 114.554 -0.189 0.000 2.777 197 T HA -0.113 4.239 4.350 0.003 0.000 0.266 197 T C 1.304 175.842 174.700 -0.270 0.000 1.040 197 T CA 1.410 63.426 62.100 -0.140 0.000 1.141 197 T CB -0.597 68.222 68.868 -0.082 0.000 0.868 197 T HN 0.375 nan 8.240 nan 0.000 0.444 198 Y N 1.631 121.604 120.300 -0.544 0.000 2.128 198 Y HA -0.118 4.433 4.550 0.002 0.000 0.284 198 Y C 2.618 178.352 175.900 -0.277 0.000 1.154 198 Y CA 0.933 58.543 58.100 -0.817 0.000 1.149 198 Y CB -0.661 37.077 38.460 -1.203 0.000 0.976 198 Y HN 0.295 nan 8.280 nan 0.000 0.505 199 E N -0.237 119.980 120.200 0.029 0.000 2.077 199 E HA -0.257 4.094 4.350 0.003 0.000 0.193 199 E C 2.105 178.767 176.600 0.103 0.000 0.989 199 E CA 1.290 57.741 56.400 0.086 0.000 0.800 199 E CB -0.421 29.323 29.700 0.075 0.000 0.746 199 E HN 0.422 nan 8.360 nan 0.000 0.452 200 F N 1.432 121.367 119.950 -0.025 0.000 2.126 200 F HA -0.195 4.334 4.527 0.002 0.000 0.299 200 F C 1.864 177.663 175.800 -0.001 0.000 1.096 200 F CA 1.438 59.421 58.000 -0.028 0.000 1.255 200 F CB -0.265 38.693 39.000 -0.069 0.000 0.997 200 F HN 0.005 nan 8.300 nan 0.000 0.479 201 L N 0.091 121.254 121.223 -0.101 0.000 2.083 201 L HA -0.215 4.127 4.340 0.003 0.000 0.209 201 L C 2.541 179.402 176.870 -0.014 0.000 1.083 201 L CA 1.812 56.588 54.840 -0.107 0.000 0.752 201 L CB -1.346 40.806 42.059 0.154 0.000 0.899 201 L HN 0.366 nan 8.230 nan 0.000 0.433 202 T N -4.576 110.024 114.554 0.076 0.000 3.072 202 T HA -0.114 4.238 4.350 0.003 0.000 0.266 202 T C 1.675 176.367 174.700 -0.014 0.000 1.127 202 T CA 1.168 63.320 62.100 0.087 0.000 1.107 202 T CB -0.588 68.363 68.868 0.139 0.000 0.910 202 T HN 0.465 nan 8.240 nan 0.000 0.513 203 T N -0.183 114.303 114.554 -0.113 0.000 3.100 203 T HA 0.333 4.685 4.350 0.003 0.000 0.253 203 T C 0.651 175.252 174.700 -0.164 0.000 1.118 203 T CA -0.373 61.649 62.100 -0.129 0.000 1.058 203 T CB -0.589 68.195 68.868 -0.139 0.000 0.953 203 T HN 0.391 nan 8.240 nan 0.000 0.515 204 L N 2.147 123.251 121.223 -0.198 0.000 2.380 204 L HA 0.502 4.843 4.340 0.003 0.000 0.273 204 L C 0.588 177.376 176.870 -0.136 0.000 1.138 204 L CA -0.668 54.067 54.840 -0.175 0.000 0.832 204 L CB 0.520 42.486 42.059 -0.155 0.000 1.124 204 L HN 0.098 nan 8.230 nan 0.000 0.454 205 R N 1.691 122.116 120.500 -0.125 0.000 2.867 205 R HA 0.836 5.177 4.340 0.003 0.000 0.268 205 R C -0.364 175.860 176.300 -0.128 0.000 1.014 205 R CA -0.847 55.181 56.100 -0.119 0.000 0.946 205 R CB 2.046 32.298 30.300 -0.080 0.000 1.208 205 R HN 0.781 nan 8.270 nan 0.000 0.477 206 G N -0.428 108.296 108.800 -0.126 0.000 2.649 206 G HA2 0.233 4.194 3.960 0.003 0.000 0.290 206 G HA3 0.233 4.194 3.960 0.003 0.000 0.290 206 G C -0.544 174.302 174.900 -0.090 0.000 1.426 206 G CA -0.539 44.492 45.100 -0.115 0.000 0.794 206 G HN 0.497 nan 8.290 nan 0.000 0.483 207 D N -1.667 118.688 120.400 -0.075 0.000 2.363 207 D HA 0.276 4.917 4.640 0.003 0.000 0.226 207 D C 1.670 177.934 176.300 -0.059 0.000 1.020 207 D CA 1.168 55.134 54.000 -0.057 0.000 0.892 207 D CB 0.130 40.904 40.800 -0.044 0.000 0.900 207 D HN 1.700 nan 8.370 nan 0.000 0.531 208 G N -0.112 108.643 108.800 -0.076 0.000 2.213 208 G HA2 -0.265 3.696 3.960 0.003 0.000 0.236 208 G HA3 -0.265 3.696 3.960 0.003 0.000 0.236 208 G C 0.403 175.265 174.900 -0.063 0.000 0.991 208 G CA 0.277 45.334 45.100 -0.072 0.000 0.629 208 G HN 0.856 nan 8.290 nan 0.000 0.517 209 S N 0.476 116.142 115.700 -0.058 0.000 2.580 209 S HA 0.723 5.194 4.470 0.003 0.000 0.274 209 S C 0.257 174.825 174.600 -0.054 0.000 1.329 209 S CA 0.981 59.154 58.200 -0.046 0.000 1.036 209 S CB 1.873 65.052 63.200 -0.035 0.000 0.919 209 S HN 1.724 nan 8.310 nan 0.000 0.515 210 T N -2.560 111.972 114.554 -0.038 0.000 2.838 210 T HA 0.801 5.153 4.350 0.003 0.000 0.292 210 T C 0.790 175.482 174.700 -0.013 0.000 1.113 210 T CA -0.259 61.820 62.100 -0.035 0.000 1.008 210 T CB 1.059 69.909 68.868 -0.031 0.000 1.259 210 T HN 1.928 nan 8.240 nan 0.000 0.520 211 G N 0.059 108.858 108.800 -0.002 0.000 2.259 211 G HA2 -0.176 3.785 3.960 0.003 0.000 0.217 211 G HA3 -0.176 3.785 3.960 0.003 0.000 0.217 211 G C -0.097 174.828 174.900 0.042 0.000 1.001 211 G CA 0.198 45.310 45.100 0.020 0.000 0.627 211 G HN 1.060 nan 8.290 nan 0.000 0.501 212 E N 0.059 120.279 120.200 0.033 0.000 2.191 212 E HA 0.578 4.930 4.350 0.003 0.000 0.278 212 E C -0.484 176.161 176.600 0.075 0.000 0.972 212 E CA -1.196 55.244 56.400 0.067 0.000 0.804 212 E CB 0.703 30.432 29.700 0.047 0.000 1.110 212 E HN 0.182 nan 8.360 nan 0.000 0.394 213 F N 3.885 123.819 119.950 -0.027 0.000 2.578 213 F HA 0.042 4.570 4.527 0.003 0.000 0.381 213 F C -0.265 175.493 175.800 -0.071 0.000 1.069 213 F CA 0.574 58.527 58.000 -0.079 0.000 1.231 213 F CB 0.456 39.410 39.000 -0.076 0.000 1.086 213 F HN 0.411 nan 8.300 nan 0.000 0.564 214 Q N 6.884 126.234 119.800 -0.749 0.000 2.294 214 Q HA 0.155 4.497 4.340 0.003 0.000 0.264 214 Q C -1.790 173.643 176.000 -0.945 0.000 0.992 214 Q CA -0.936 54.450 55.803 -0.695 0.000 0.747 214 Q CB 1.052 29.593 28.738 -0.329 0.000 1.262 214 Q HN 0.777 nan 8.270 nan 0.000 0.452 215 Y N 3.210 122.823 120.300 -1.146 0.000 2.569 215 Y HA 0.222 4.774 4.550 0.003 0.000 0.332 215 Y C -0.846 174.796 175.900 -0.429 0.000 1.120 215 Y CA 0.432 58.065 58.100 -0.778 0.000 1.416 215 Y CB 0.605 38.882 38.460 -0.305 0.000 1.210 215 Y HN 0.682 nan 8.280 nan 0.000 0.528 216 C N 5.925 124.769 119.300 -0.760 0.000 2.505 216 C HA 0.312 4.773 4.460 0.003 0.000 0.342 216 C C 1.101 175.655 174.990 -0.727 0.000 1.121 216 C CA -0.436 58.172 59.018 -0.683 0.000 1.306 216 C CB 0.307 27.679 27.740 -0.613 0.000 1.897 216 C HN 1.018 nan 8.230 nan 0.000 0.446 217 S N 2.822 118.136 115.700 -0.643 0.000 2.442 217 S HA -0.115 4.357 4.470 0.003 0.000 0.236 217 S C 1.996 176.334 174.600 -0.436 0.000 1.007 217 S CA 1.509 59.363 58.200 -0.577 0.000 0.965 217 S CB -0.007 62.746 63.200 -0.745 0.000 0.773 217 S HN 1.029 nan 8.310 nan 0.000 0.504 218 A N 2.302 124.913 122.820 -0.348 0.000 1.972 218 A HA -0.157 4.164 4.320 0.003 0.000 0.219 218 A C 1.892 179.414 177.584 -0.103 0.000 1.169 218 A CA 1.541 53.530 52.037 -0.080 0.000 0.635 218 A CB -0.609 18.362 19.000 -0.048 0.000 0.810 218 A HN 0.444 nan 8.150 nan 0.000 0.446 219 N N -0.050 118.559 118.700 -0.152 0.000 2.104 219 N HA -0.109 4.633 4.740 0.003 0.000 0.190 219 N C 1.678 177.108 175.510 -0.134 0.000 1.024 219 N CA 2.042 55.024 53.050 -0.113 0.000 0.853 219 N CB -0.770 37.640 38.487 -0.128 0.000 1.008 219 N HN 0.504 nan 8.380 nan 0.000 0.424 220 T N 0.722 115.195 114.554 -0.136 0.000 2.821 220 T HA -0.066 4.286 4.350 0.003 0.000 0.267 220 T C 0.955 175.602 174.700 -0.089 0.000 1.046 220 T CA 1.095 63.136 62.100 -0.098 0.000 1.139 220 T CB -0.220 68.597 68.868 -0.085 0.000 0.871 220 T HN 0.199 nan 8.240 nan 0.000 0.454 221 D N 0.839 121.221 120.400 -0.031 0.000 2.183 221 D HA -0.006 4.635 4.640 0.003 0.000 0.203 221 D C 2.209 178.601 176.300 0.154 0.000 0.969 221 D CA 0.390 54.445 54.000 0.091 0.000 0.842 221 D CB -0.408 40.534 40.800 0.237 0.000 0.957 221 D HN 0.202 nan 8.370 nan 0.000 0.484 222 V N 1.093 121.001 119.914 -0.009 0.000 2.343 222 V HA -0.211 3.911 4.120 0.003 0.000 0.247 222 V C 2.599 178.693 176.094 0.000 0.000 1.051 222 V CA 1.085 63.346 62.300 -0.064 0.000 1.036 222 V CB -0.435 31.067 31.823 -0.534 0.000 0.654 222 V HN 0.217 nan 8.190 nan 0.000 0.451 223 L N 0.117 121.316 121.223 -0.040 0.000 2.042 223 L HA -0.186 4.156 4.340 0.003 0.000 0.210 223 L C 2.719 179.600 176.870 0.017 0.000 1.076 223 L CA 1.692 56.519 54.840 -0.023 0.000 0.749 223 L CB -0.810 41.232 42.059 -0.027 0.000 0.893 223 L HN 0.374 nan 8.230 nan 0.000 0.432 224 A N -0.885 121.923 122.820 -0.020 0.000 1.930 224 A HA -0.245 4.076 4.320 0.003 0.000 0.217 224 A C 2.061 179.849 177.584 0.340 0.000 1.175 224 A CA 1.148 53.136 52.037 -0.081 0.000 0.627 224 A CB -0.847 17.766 19.000 -0.645 0.000 0.815 224 A HN 0.626 nan 8.150 nan 0.000 0.443 225 W N 0.921 122.335 121.300 0.189 0.000 2.358 225 W HA -0.127 4.534 4.660 0.002 0.000 0.303 225 W C 1.832 178.412 176.519 0.101 0.000 1.208 225 W CA 1.298 58.755 57.345 0.186 0.000 1.274 225 W CB -0.754 28.753 29.460 0.078 0.000 1.138 225 W HN 0.340 nan 8.180 nan 0.000 0.515 226 I N -0.147 120.544 120.570 0.202 0.000 2.163 226 I HA -0.348 3.823 4.170 0.003 0.000 0.243 226 I C 2.298 178.429 176.117 0.022 0.000 1.085 226 I CA 1.474 62.782 61.300 0.013 0.000 1.347 226 I CB -1.102 36.829 38.000 -0.115 0.000 1.044 226 I HN -0.300 nan 8.210 nan 0.000 0.408 227 V N 0.829 120.783 119.914 0.068 0.000 2.324 227 V HA -0.315 3.807 4.120 0.003 0.000 0.250 227 V C 2.388 178.567 176.094 0.143 0.000 1.060 227 V CA 2.059 64.398 62.300 0.065 0.000 1.042 227 V CB -0.682 31.238 31.823 0.161 0.000 0.650 227 V HN 0.466 nan 8.190 nan 0.000 0.450 228 E N -0.576 119.787 120.200 0.273 0.000 2.072 228 E HA -0.181 4.170 4.350 0.003 0.000 0.191 228 E C 2.509 179.237 176.600 0.214 0.000 0.985 228 E CA 0.776 57.349 56.400 0.289 0.000 0.801 228 E CB -0.152 29.796 29.700 0.413 0.000 0.750 228 E HN 0.380 nan 8.360 nan 0.000 0.452 229 R N 0.469 121.096 120.500 0.212 0.000 2.115 229 R HA -0.046 4.296 4.340 0.003 0.000 0.230 229 R C 2.269 178.627 176.300 0.098 0.000 1.111 229 R CA 0.591 56.775 56.100 0.140 0.000 0.976 229 R CB -0.517 29.847 30.300 0.107 0.000 0.870 229 R HN 0.125 nan 8.270 nan 0.000 0.445 230 V N 0.582 120.535 119.914 0.066 0.000 2.591 230 V HA -0.135 3.987 4.120 0.003 0.000 0.249 230 V C 2.229 178.351 176.094 0.046 0.000 1.053 230 V CA 2.136 64.458 62.300 0.035 0.000 1.068 230 V CB -0.359 31.416 31.823 -0.080 0.000 0.689 230 V HN 0.480 nan 8.190 nan 0.000 0.462 231 T N -3.882 110.711 114.554 0.065 0.000 3.015 231 T HA 0.300 4.651 4.350 0.003 0.000 0.250 231 T C 1.660 176.424 174.700 0.106 0.000 1.057 231 T CA 0.963 63.123 62.100 0.099 0.000 1.066 231 T CB 0.761 69.714 68.868 0.141 0.000 0.959 231 T HN 0.849 nan 8.240 nan 0.000 0.488 232 G N 1.549 110.412 108.800 0.104 0.000 2.162 232 G HA2 -0.209 3.753 3.960 0.003 0.000 0.260 232 G HA3 -0.209 3.753 3.960 0.003 0.000 0.260 232 G C -0.071 174.891 174.900 0.102 0.000 0.976 232 G CA 0.399 45.554 45.100 0.092 0.000 0.655 232 G HN 0.648 nan 8.290 nan 0.000 0.533 233 L N 0.339 121.641 121.223 0.132 0.000 2.325 233 L HA 0.521 4.862 4.340 0.003 0.000 0.279 233 L C 1.311 178.277 176.870 0.162 0.000 1.054 233 L CA -1.184 53.735 54.840 0.132 0.000 0.804 233 L CB 0.977 43.127 42.059 0.150 0.000 1.200 233 L HN 0.088 nan 8.230 nan 0.000 0.436 234 R N 0.707 121.288 120.500 0.135 0.000 2.638 234 R HA -0.123 4.219 4.340 0.003 0.000 0.268 234 R C 0.634 177.043 176.300 0.181 0.000 1.006 234 R CA 0.099 56.302 56.100 0.172 0.000 1.088 234 R CB 0.263 30.626 30.300 0.106 0.000 0.950 234 R HN 0.508 nan 8.270 nan 0.000 0.419 235 Y N 3.433 123.810 120.300 0.129 0.000 2.193 235 Y HA -0.268 4.284 4.550 0.003 0.000 0.285 235 Y C 1.791 177.701 175.900 0.016 0.000 1.166 235 Y CA 1.826 59.962 58.100 0.059 0.000 1.181 235 Y CB -0.102 38.325 38.460 -0.054 0.000 0.976 235 Y HN 0.406 nan 8.280 nan 0.000 0.520 236 V N 0.546 120.403 119.914 -0.094 0.000 2.282 236 V HA -0.356 3.766 4.120 0.003 0.000 0.249 236 V C 2.401 178.412 176.094 -0.138 0.000 1.057 236 V CA 2.440 64.650 62.300 -0.151 0.000 1.032 236 V CB -0.709 31.100 31.823 -0.023 0.000 0.645 236 V HN 0.518 nan 8.190 nan 0.000 0.447 237 E N -0.125 120.047 120.200 -0.046 0.000 2.107 237 E HA -0.128 4.224 4.350 0.003 0.000 0.191 237 E C 2.227 178.826 176.600 -0.000 0.000 0.982 237 E CA 0.996 57.393 56.400 -0.005 0.000 0.809 237 E CB -0.201 29.523 29.700 0.039 0.000 0.756 237 E HN 0.558 nan 8.360 nan 0.000 0.459 238 A N 1.105 123.929 122.820 0.008 0.000 1.933 238 A HA -0.156 4.165 4.320 0.003 0.000 0.218 238 A C 2.114 179.730 177.584 0.054 0.000 1.175 238 A CA 1.153 53.273 52.037 0.138 0.000 0.628 238 A CB -0.589 18.494 19.000 0.138 0.000 0.814 238 A HN 0.391 nan 8.150 nan 0.000 0.444 239 L N -0.300 120.768 121.223 -0.259 0.000 2.131 239 L HA -0.076 4.266 4.340 0.003 0.000 0.210 239 L C 2.551 179.427 176.870 0.009 0.000 1.092 239 L CA 2.430 57.130 54.840 -0.234 0.000 0.759 239 L CB -0.638 41.115 42.059 -0.510 0.000 0.903 239 L HN 0.362 nan 8.230 nan 0.000 0.435 240 S N -1.766 113.940 115.700 0.009 0.000 2.345 240 S HA -0.165 4.306 4.470 0.003 0.000 0.219 240 S C 1.916 176.558 174.600 0.070 0.000 1.031 240 S CA 1.697 59.959 58.200 0.104 0.000 0.984 240 S CB -0.463 62.777 63.200 0.065 0.000 0.874 240 S HN 0.599 nan 8.310 nan 0.000 0.451 241 T N 0.459 115.010 114.554 -0.005 0.000 2.746 241 T HA -0.050 4.302 4.350 0.003 0.000 0.267 241 T C 1.222 175.769 174.700 -0.254 0.000 1.039 241 T CA 1.657 63.661 62.100 -0.161 0.000 1.142 241 T CB -0.418 68.278 68.868 -0.286 0.000 0.866 241 T HN 0.566 nan 8.240 nan 0.000 0.444 242 Y N -0.665 119.637 120.300 0.004 0.000 2.500 242 Y HA 0.383 4.935 4.550 0.003 0.000 0.270 242 Y C 1.559 177.465 175.900 0.010 0.000 1.134 242 Y CA -0.096 58.001 58.100 -0.005 0.000 1.293 242 Y CB 0.295 38.742 38.460 -0.022 0.000 1.063 242 Y HN 0.102 nan 8.280 nan 0.000 0.534 243 L N -2.624 118.696 121.223 0.161 0.000 2.865 243 L HA 0.129 4.471 4.340 0.003 0.000 0.167 243 L C 1.670 178.621 176.870 0.135 0.000 1.135 243 L CA 0.510 55.440 54.840 0.150 0.000 0.895 243 L CB -0.890 41.293 42.059 0.207 0.000 1.643 243 L HN 0.201 nan 8.230 nan 0.000 0.518 244 W N 1.221 122.525 121.300 0.007 0.000 2.363 244 W HA -0.124 4.538 4.660 0.003 0.000 0.296 244 W C 1.854 178.373 176.519 -0.000 0.000 1.212 244 W CA 1.936 59.284 57.345 0.006 0.000 1.260 244 W CB 0.026 29.484 29.460 -0.003 0.000 1.131 244 W HN 0.412 nan 8.180 nan 0.000 0.530 245 A N 0.118 122.998 122.820 0.102 0.000 2.209 245 A HA -0.112 4.209 4.320 0.003 0.000 0.212 245 A C 1.732 179.283 177.584 -0.055 0.000 1.158 245 A CA 1.006 53.055 52.037 0.020 0.000 0.742 245 A CB -0.409 18.611 19.000 0.035 0.000 0.790 245 A HN 0.300 nan 8.150 nan 0.000 0.472 246 K N -0.586 119.768 120.400 -0.076 0.000 2.358 246 K HA 0.322 4.643 4.320 0.003 0.000 0.197 246 K C 0.864 177.391 176.600 -0.123 0.000 1.025 246 K CA -0.034 56.204 56.287 -0.080 0.000 1.104 246 K CB 0.171 32.641 32.500 -0.050 0.000 0.855 246 K HN 0.409 nan 8.250 nan 0.000 0.531 247 L N 0.661 121.752 121.223 -0.220 0.000 2.492 247 L HA 0.005 4.347 4.340 0.003 0.000 0.223 247 L C 0.080 176.815 176.870 -0.225 0.000 1.132 247 L CA 0.135 54.810 54.840 -0.276 0.000 0.850 247 L CB -0.291 41.451 42.059 -0.529 0.000 0.966 247 L HN 0.245 nan 8.230 nan 0.000 0.454 248 D N 1.009 121.298 120.400 -0.185 0.000 2.697 248 D HA -0.174 4.468 4.640 0.003 0.000 0.238 248 D C 0.297 176.505 176.300 -0.154 0.000 1.152 248 D CA 0.647 54.569 54.000 -0.131 0.000 0.666 248 D CB -0.406 40.342 40.800 -0.087 0.000 1.037 248 D HN 0.346 nan 8.370 nan 0.000 0.423 249 A N 0.535 123.214 122.820 -0.235 0.000 2.386 249 A HA 0.305 4.626 4.320 0.003 0.000 0.248 249 A C 1.361 178.921 177.584 -0.040 0.000 1.082 249 A CA 0.178 52.088 52.037 -0.210 0.000 0.789 249 A CB 0.520 19.272 19.000 -0.414 0.000 1.025 249 A HN 0.267 nan 8.150 nan 0.000 0.490 250 D N 0.378 120.786 120.400 0.014 0.000 2.149 250 D HA -0.015 4.626 4.640 0.003 0.000 0.201 250 D C 0.553 176.900 176.300 0.078 0.000 0.972 250 D CA 1.319 55.342 54.000 0.038 0.000 0.835 250 D CB 0.156 40.978 40.800 0.036 0.000 0.966 250 D HN 0.546 nan 8.370 nan 0.000 0.476 251 R N 0.633 121.226 120.500 0.155 0.000 2.837 251 R HA 0.258 4.599 4.340 0.003 0.000 0.271 251 R C -0.817 175.682 176.300 0.330 0.000 0.993 251 R CA -0.860 55.344 56.100 0.174 0.000 0.931 251 R CB 1.478 31.851 30.300 0.122 0.000 1.206 251 R HN -0.150 nan 8.270 nan 0.000 0.474 252 D N 0.986 121.514 120.400 0.214 0.000 2.419 252 D HA 0.129 4.771 4.640 0.003 0.000 0.236 252 D C 0.098 176.386 176.300 -0.020 0.000 1.165 252 D CA 0.553 54.649 54.000 0.159 0.000 0.882 252 D CB 0.679 41.498 40.800 0.031 0.000 1.201 252 D HN 0.540 nan 8.370 nan 0.000 0.443 253 A N 1.038 123.532 122.820 -0.543 0.000 2.246 253 A HA 0.658 4.980 4.320 0.003 0.000 0.291 253 A C 0.377 177.734 177.584 -0.378 0.000 1.103 253 A CA -0.349 51.275 52.037 -0.689 0.000 0.844 253 A CB 0.600 18.710 19.000 -1.484 0.000 1.136 253 A HN 0.597 nan 8.150 nan 0.000 0.500 254 T N -1.908 112.480 114.554 -0.276 0.000 2.916 254 T HA 0.699 5.051 4.350 0.003 0.000 0.292 254 T C -0.636 173.981 174.700 -0.138 0.000 1.064 254 T CA -0.483 61.516 62.100 -0.169 0.000 1.011 254 T CB 1.240 70.044 68.868 -0.106 0.000 1.152 254 T HN 0.977 nan 8.240 nan 0.000 0.510 255 I N 1.862 122.385 120.570 -0.079 0.000 2.692 255 I HA 0.456 4.627 4.170 0.003 0.000 0.293 255 I C 0.076 176.203 176.117 0.016 0.000 1.200 255 I CA -0.693 60.595 61.300 -0.021 0.000 1.036 255 I CB 2.340 40.325 38.000 -0.026 0.000 1.258 255 I HN 1.123 nan 8.210 nan 0.000 0.421 256 T N 4.585 119.183 114.554 0.072 0.000 2.900 256 T HA 0.485 4.836 4.350 0.003 0.000 0.307 256 T C -0.103 174.629 174.700 0.054 0.000 1.065 256 T CA -0.402 61.740 62.100 0.071 0.000 1.105 256 T CB 1.122 70.093 68.868 0.172 0.000 0.979 256 T HN 0.561 nan 8.240 nan 0.000 0.544 257 V N -0.133 119.803 119.914 0.036 0.000 2.823 257 V HA 0.712 4.834 4.120 0.003 0.000 0.312 257 V C -0.315 175.804 176.094 0.041 0.000 1.072 257 V CA -1.270 61.051 62.300 0.037 0.000 0.937 257 V CB 1.720 33.576 31.823 0.054 0.000 1.013 257 V HN 1.087 nan 8.190 nan 0.000 0.430 258 D N 1.300 121.735 120.400 0.057 0.000 2.478 258 D HA 0.217 4.858 4.640 0.003 0.000 0.274 258 D C 1.326 177.652 176.300 0.043 0.000 1.234 258 D CA 0.426 54.456 54.000 0.049 0.000 1.069 258 D CB 0.381 41.215 40.800 0.057 0.000 1.113 258 D HN 0.807 nan 8.370 nan 0.000 0.571 259 T N -4.448 110.125 114.554 0.031 0.000 3.051 259 T HA -0.101 4.250 4.350 0.003 0.000 0.269 259 T C 1.533 176.252 174.700 0.032 0.000 1.127 259 T CA 1.382 63.504 62.100 0.037 0.000 1.107 259 T CB -0.989 67.900 68.868 0.035 0.000 0.898 259 T HN 0.598 nan 8.240 nan 0.000 0.517 260 T N -2.550 112.016 114.554 0.020 0.000 3.086 260 T HA 0.488 4.840 4.350 0.003 0.000 0.250 260 T C 1.816 176.539 174.700 0.038 0.000 1.074 260 T CA 0.469 62.582 62.100 0.022 0.000 0.988 260 T CB -0.239 68.645 68.868 0.027 0.000 0.988 260 T HN 0.829 nan 8.240 nan 0.000 0.530 261 G N 1.080 109.917 108.800 0.061 0.000 2.157 261 G HA2 -0.208 3.754 3.960 0.003 0.000 0.239 261 G HA3 -0.208 3.754 3.960 0.003 0.000 0.239 261 G C -0.221 174.754 174.900 0.123 0.000 0.982 261 G CA -0.148 44.999 45.100 0.079 0.000 0.650 261 G HN 0.632 nan 8.290 nan 0.000 0.527 262 F N 2.835 122.741 119.950 -0.073 0.000 2.472 262 F HA 0.568 5.096 4.527 0.003 0.000 0.364 262 F C 1.013 176.796 175.800 -0.028 0.000 1.090 262 F CA -0.302 57.632 58.000 -0.111 0.000 1.188 262 F CB 0.602 39.330 39.000 -0.454 0.000 1.105 262 F HN 0.275 nan 8.300 nan 0.000 0.536 263 G N 5.482 114.011 108.800 -0.452 0.000 2.441 263 G HA2 0.045 4.007 3.960 0.003 0.000 0.243 263 G HA3 0.045 4.007 3.960 0.003 0.000 0.243 263 G C -0.840 173.745 174.900 -0.526 0.000 1.281 263 G CA -0.576 44.349 45.100 -0.292 0.000 0.854 263 G HN 0.692 nan 8.290 nan 0.000 0.560 264 F N 3.482 123.195 119.950 -0.396 0.000 2.679 264 F HA 0.377 4.905 4.527 0.002 0.000 0.351 264 F C 1.584 177.106 175.800 -0.464 0.000 1.279 264 F CA -0.712 57.004 58.000 -0.474 0.000 1.227 264 F CB 0.216 38.931 39.000 -0.475 0.000 1.623 264 F HN 0.509 nan 8.300 nan 0.000 0.666 265 A N 3.375 125.854 122.820 -0.569 0.000 1.972 265 A HA -0.225 4.097 4.320 0.003 0.000 0.219 265 A C 2.316 179.699 177.584 -0.335 0.000 1.169 265 A CA 1.849 53.611 52.037 -0.459 0.000 0.635 265 A CB -1.060 17.450 19.000 -0.818 0.000 0.810 265 A HN 0.826 nan 8.150 nan 0.000 0.446 266 H N -2.465 116.301 119.070 -0.507 0.000 2.547 266 H HA 0.238 4.795 4.556 0.003 0.000 0.272 266 H C 1.162 176.311 175.328 -0.297 0.000 0.989 266 H CA 1.291 57.102 56.048 -0.395 0.000 1.214 266 H CB 0.062 29.551 29.762 -0.454 0.000 1.389 266 H HN 0.406 nan 8.280 nan 0.000 0.577 267 G N -0.342 108.076 108.800 -0.636 0.000 3.912 267 G HA2 0.076 4.038 3.960 0.003 0.000 0.203 267 G HA3 0.076 4.038 3.960 0.003 0.000 0.203 267 G C 1.162 176.162 174.900 0.167 0.000 1.112 267 G CA 0.134 45.117 45.100 -0.194 0.000 0.871 267 G HN 0.477 nan 8.290 nan 0.000 0.549 268 G N 0.610 109.533 108.800 0.205 0.000 3.233 268 G HA2 0.406 4.367 3.960 0.003 0.000 0.234 268 G HA3 0.406 4.367 3.960 0.003 0.000 0.234 268 G C 0.238 175.257 174.900 0.198 0.000 1.137 268 G CA 0.060 45.411 45.100 0.418 0.000 0.763 268 G HN 0.266 nan 8.290 nan 0.000 0.549 269 V N 1.321 121.297 119.914 0.104 0.000 2.686 269 V HA 0.453 4.575 4.120 0.003 0.000 0.295 269 V C 0.151 176.255 176.094 0.016 0.000 1.055 269 V CA -0.069 62.237 62.300 0.011 0.000 1.050 269 V CB 1.399 33.203 31.823 -0.030 0.000 0.984 269 V HN 0.163 nan 8.190 nan 0.000 0.482 270 S N 2.725 118.399 115.700 -0.044 0.000 2.513 270 S HA 0.814 5.285 4.470 0.003 0.000 0.299 270 S C -0.423 174.142 174.600 -0.057 0.000 1.087 270 S CA -0.577 57.618 58.200 -0.009 0.000 1.012 270 S CB 1.613 64.805 63.200 -0.014 0.000 1.044 270 S HN 1.152 nan 8.310 nan 0.000 0.485 271 C N 0.053 119.383 119.300 0.050 0.000 3.295 271 C HA 0.858 5.319 4.460 0.003 0.000 0.341 271 C C 0.236 175.355 174.990 0.215 0.000 1.418 271 C CA -0.897 58.177 59.018 0.093 0.000 1.240 271 C CB 0.594 28.398 27.740 0.107 0.000 1.562 271 C HN 0.873 nan 8.230 nan 0.000 0.457 272 T N -0.486 114.216 114.554 0.248 0.000 2.868 272 T HA 0.536 4.888 4.350 0.003 0.000 0.292 272 T C 1.244 176.103 174.700 0.266 0.000 1.028 272 T CA 0.368 62.620 62.100 0.254 0.000 1.059 272 T CB 1.095 70.075 68.868 0.188 0.000 0.991 272 T HN 1.992 nan 8.240 nan 0.000 0.531 273 A N 1.612 124.604 122.820 0.286 0.000 1.877 273 A HA -0.057 4.264 4.320 0.003 0.000 0.216 273 A C 2.417 180.106 177.584 0.175 0.000 1.186 273 A CA 1.804 53.972 52.037 0.218 0.000 0.620 273 A CB -0.909 18.241 19.000 0.249 0.000 0.822 273 A HN 0.870 nan 8.150 nan 0.000 0.443 274 R N 0.320 120.931 120.500 0.185 0.000 2.096 274 R HA -0.126 4.215 4.340 0.003 0.000 0.235 274 R C 1.302 177.660 176.300 0.097 0.000 1.127 274 R CA 2.087 58.261 56.100 0.124 0.000 0.968 274 R CB -0.619 29.748 30.300 0.111 0.000 0.861 274 R HN 0.481 nan 8.270 nan 0.000 0.440 275 D N -0.247 120.235 120.400 0.137 0.000 2.149 275 D HA -0.115 4.527 4.640 0.003 0.000 0.201 275 D C 1.729 178.100 176.300 0.119 0.000 0.972 275 D CA 0.848 54.908 54.000 0.099 0.000 0.835 275 D CB -0.231 40.726 40.800 0.262 0.000 0.966 275 D HN 0.168 nan 8.370 nan 0.000 0.476 276 L N 1.076 122.445 121.223 0.243 0.000 2.079 276 L HA -0.081 4.261 4.340 0.003 0.000 0.210 276 L C 2.046 179.005 176.870 0.149 0.000 1.081 276 L CA 1.514 56.500 54.840 0.244 0.000 0.752 276 L CB -0.684 41.507 42.059 0.221 0.000 0.896 276 L HN -0.042 nan 8.230 nan 0.000 0.433 277 A N -0.547 122.336 122.820 0.105 0.000 2.019 277 A HA -0.201 4.120 4.320 0.003 0.000 0.219 277 A C 2.346 179.960 177.584 0.051 0.000 1.164 277 A CA 1.535 53.617 52.037 0.076 0.000 0.644 277 A CB -0.535 18.493 19.000 0.047 0.000 0.805 277 A HN 0.533 nan 8.150 nan 0.000 0.449 278 R N -0.673 119.832 120.500 0.007 0.000 2.148 278 R HA -0.056 4.285 4.340 0.003 0.000 0.227 278 R C 1.869 178.159 176.300 -0.017 0.000 1.103 278 R CA 1.255 57.330 56.100 -0.043 0.000 0.983 278 R CB -0.473 29.742 30.300 -0.142 0.000 0.874 278 R HN 0.409 nan 8.270 nan 0.000 0.451 279 V N 0.216 120.150 119.914 0.033 0.000 2.358 279 V HA -0.146 3.976 4.120 0.003 0.000 0.246 279 V C 2.403 178.596 176.094 0.165 0.000 1.047 279 V CA 2.123 64.494 62.300 0.118 0.000 1.035 279 V CB -0.880 31.070 31.823 0.211 0.000 0.658 279 V HN 0.514 nan 8.190 nan 0.000 0.452 280 G N -0.045 108.857 108.800 0.169 0.000 2.422 280 G HA2 -0.309 3.652 3.960 0.003 0.000 0.218 280 G HA3 -0.309 3.652 3.960 0.003 0.000 0.218 280 G C 1.672 176.614 174.900 0.070 0.000 1.146 280 G CA 0.960 46.151 45.100 0.152 0.000 0.769 280 G HN 0.413 nan 8.290 nan 0.000 0.547 281 R N 0.046 120.575 120.500 0.049 0.000 2.081 281 R HA 0.030 4.371 4.340 0.003 0.000 0.235 281 R C 2.417 178.725 176.300 0.013 0.000 1.131 281 R CA 1.458 57.570 56.100 0.020 0.000 0.960 281 R CB -0.565 29.739 30.300 0.007 0.000 0.856 281 R HN 0.330 nan 8.270 nan 0.000 0.436 282 M N -0.593 119.020 119.600 0.022 0.000 2.117 282 M HA -0.164 4.318 4.480 0.003 0.000 0.262 282 M C 1.425 177.740 176.300 0.026 0.000 1.065 282 M CA 1.753 57.067 55.300 0.023 0.000 1.114 282 M CB -0.231 32.390 32.600 0.035 0.000 1.361 282 M HN 0.217 nan 8.290 nan 0.000 0.408 283 M N 0.207 119.825 119.600 0.030 0.000 2.175 283 M HA -0.111 4.370 4.480 0.003 0.000 0.264 283 M C 2.079 178.344 176.300 -0.058 0.000 1.063 283 M CA 1.277 56.561 55.300 -0.026 0.000 1.119 283 M CB -1.177 31.356 32.600 -0.111 0.000 1.377 283 M HN 0.329 nan 8.290 nan 0.000 0.415 284 L N -0.584 120.613 121.223 -0.042 0.000 2.554 284 L HA -0.084 4.258 4.340 0.003 0.000 0.226 284 L C 0.514 177.368 176.870 -0.026 0.000 1.137 284 L CA 0.281 55.095 54.840 -0.044 0.000 0.863 284 L CB -0.366 41.674 42.059 -0.031 0.000 0.985 284 L HN 0.151 nan 8.230 nan 0.000 0.451 285 D N 0.407 120.799 120.400 -0.015 0.000 2.427 285 D HA 0.169 4.811 4.640 0.003 0.000 0.224 285 D C 1.422 177.720 176.300 -0.004 0.000 1.157 285 D CA 0.478 54.473 54.000 -0.008 0.000 0.828 285 D CB 0.590 41.387 40.800 -0.005 0.000 0.974 285 D HN 0.254 nan 8.370 nan 0.000 0.498 286 G N 0.429 109.224 108.800 -0.009 0.000 2.153 286 G HA2 -0.234 3.727 3.960 0.003 0.000 0.252 286 G HA3 -0.234 3.727 3.960 0.003 0.000 0.252 286 G C 1.102 176.015 174.900 0.022 0.000 0.994 286 G CA 0.361 45.462 45.100 0.002 0.000 0.698 286 G HN 0.826 nan 8.290 nan 0.000 0.521 287 G N -3.095 105.721 108.800 0.027 0.000 2.179 287 G HA2 0.048 4.009 3.960 0.003 0.000 0.220 287 G HA3 0.048 4.009 3.960 0.003 0.000 0.220 287 G C 0.269 175.186 174.900 0.027 0.000 0.990 287 G CA 0.353 45.480 45.100 0.045 0.000 0.646 287 G HN 1.599 nan 8.290 nan 0.000 0.517 288 V N 1.016 120.939 119.914 0.015 0.000 2.472 288 V HA 0.840 4.962 4.120 0.003 0.000 0.290 288 V C 0.677 176.769 176.094 -0.003 0.000 1.037 288 V CA 0.090 62.393 62.300 0.005 0.000 0.908 288 V CB 1.408 33.232 31.823 0.001 0.000 0.985 288 V HN 1.119 nan 8.190 nan 0.000 0.454 289 A N 5.544 128.356 122.820 -0.012 0.000 2.387 289 A HA 0.854 5.176 4.320 0.003 0.000 0.298 289 A C -2.034 175.530 177.584 -0.033 0.000 1.165 289 A CA -1.706 50.315 52.037 -0.028 0.000 0.814 289 A CB 1.179 20.154 19.000 -0.041 0.000 1.357 289 A HN 0.602 nan 8.150 nan 0.000 0.443 290 P HA -0.086 nan 4.420 nan 0.000 0.217 290 P C 1.232 178.509 177.300 -0.038 0.000 1.148 290 P CA 1.959 65.035 63.100 -0.040 0.000 0.828 290 P CB 0.189 31.859 31.700 -0.049 0.000 0.783 291 G N -2.050 106.722 108.800 -0.046 0.000 3.088 291 G HA2 0.441 4.402 3.960 0.003 0.000 0.212 291 G HA3 0.441 4.402 3.960 0.003 0.000 0.212 291 G C 0.521 175.400 174.900 -0.034 0.000 1.173 291 G CA 0.403 45.478 45.100 -0.042 0.000 0.779 291 G HN 0.599 nan 8.290 nan 0.000 0.540 292 G N -0.694 108.089 108.800 -0.027 0.000 2.353 292 G HA2 0.100 4.062 3.960 0.003 0.000 0.424 292 G HA3 0.100 4.062 3.960 0.003 0.000 0.424 292 G C -0.690 174.202 174.900 -0.012 0.000 1.320 292 G CA -0.782 44.307 45.100 -0.019 0.000 0.995 292 G HN 0.434 nan 8.290 nan 0.000 0.580 293 R N -0.326 120.172 120.500 -0.005 0.000 2.489 293 R HA 0.467 4.809 4.340 0.003 0.000 0.287 293 R C 0.906 177.210 176.300 0.008 0.000 1.053 293 R CA 0.211 56.313 56.100 0.003 0.000 1.036 293 R CB 0.839 31.143 30.300 0.007 0.000 0.966 293 R HN 0.386 nan 8.270 nan 0.000 0.432 294 V N 4.873 124.795 119.914 0.012 0.000 2.521 294 V HA 0.038 4.160 4.120 0.003 0.000 0.239 294 V C 0.441 176.528 176.094 -0.011 0.000 1.053 294 V CA 1.089 63.401 62.300 0.020 0.000 1.073 294 V CB 0.561 32.404 31.823 0.033 0.000 0.746 294 V HN 0.712 nan 8.190 nan 0.000 0.476 295 V N -2.195 117.708 119.914 -0.018 0.000 3.141 295 V HA 0.779 4.901 4.120 0.003 0.000 0.312 295 V C -0.142 175.962 176.094 0.017 0.000 1.157 295 V CA -0.523 61.733 62.300 -0.073 0.000 1.041 295 V CB 1.597 33.321 31.823 -0.164 0.000 1.071 295 V HN 0.328 nan 8.190 nan 0.000 0.441 296 S N 0.195 115.923 115.700 0.048 0.000 2.593 296 S HA 0.259 4.730 4.470 0.003 0.000 0.269 296 S C 0.796 175.467 174.600 0.118 0.000 1.334 296 S CA 0.014 58.265 58.200 0.086 0.000 1.015 296 S CB 0.801 64.062 63.200 0.102 0.000 0.912 296 S HN 0.828 nan 8.310 nan 0.000 0.541 297 E N 1.137 121.382 120.200 0.075 0.000 2.118 297 E HA -0.217 4.135 4.350 0.003 0.000 0.195 297 E C 1.448 178.087 176.600 0.065 0.000 0.992 297 E CA 1.793 58.227 56.400 0.056 0.000 0.804 297 E CB -0.494 29.224 29.700 0.030 0.000 0.741 297 E HN 0.935 nan 8.360 nan 0.000 0.458 298 D N 0.100 120.551 120.400 0.085 0.000 2.144 298 D HA -0.166 4.475 4.640 0.003 0.000 0.200 298 D C 1.698 178.056 176.300 0.096 0.000 0.978 298 D CA 0.952 54.995 54.000 0.072 0.000 0.833 298 D CB -0.143 40.705 40.800 0.080 0.000 0.961 298 D HN 0.246 nan 8.370 nan 0.000 0.470 299 W N 0.800 122.086 121.300 -0.024 0.000 2.355 299 W HA -0.197 4.464 4.660 0.002 0.000 0.309 299 W C 1.731 178.213 176.519 -0.062 0.000 1.206 299 W CA 1.051 58.381 57.345 -0.026 0.000 1.284 299 W CB -0.487 28.971 29.460 -0.004 0.000 1.145 299 W HN -0.094 nan 8.180 nan 0.000 0.502 300 V N 1.346 121.348 119.914 0.147 0.000 2.343 300 V HA -0.299 3.823 4.120 0.003 0.000 0.247 300 V C 2.657 178.662 176.094 -0.147 0.000 1.051 300 V CA 2.335 64.618 62.300 -0.028 0.000 1.036 300 V CB -1.030 30.795 31.823 0.003 0.000 0.654 300 V HN 0.159 nan 8.190 nan 0.000 0.451 301 R N -0.079 120.365 120.500 -0.093 0.000 2.096 301 R HA -0.153 4.188 4.340 0.003 0.000 0.235 301 R C 2.543 178.748 176.300 -0.158 0.000 1.127 301 R CA 1.565 57.600 56.100 -0.109 0.000 0.968 301 R CB -0.129 30.134 30.300 -0.062 0.000 0.861 301 R HN 0.455 nan 8.270 nan 0.000 0.440 302 R N -0.402 119.978 120.500 -0.200 0.000 2.092 302 R HA -0.051 4.291 4.340 0.003 0.000 0.231 302 R C 2.280 178.389 176.300 -0.318 0.000 1.119 302 R CA 1.219 57.169 56.100 -0.250 0.000 0.970 302 R CB -0.184 29.934 30.300 -0.304 0.000 0.864 302 R HN 0.087 nan 8.270 nan 0.000 0.440 303 V N 1.676 121.335 119.914 -0.425 0.000 2.295 303 V HA -0.242 3.879 4.120 0.003 0.000 0.246 303 V C 2.273 178.152 176.094 -0.358 0.000 1.049 303 V CA 1.722 63.749 62.300 -0.454 0.000 1.024 303 V CB -0.388 31.051 31.823 -0.641 0.000 0.648 303 V HN 0.298 nan 8.190 nan 0.000 0.447 304 L N -0.082 120.952 121.223 -0.315 0.000 2.201 304 L HA -0.103 4.239 4.340 0.003 0.000 0.212 304 L C 2.605 179.373 176.870 -0.170 0.000 1.105 304 L CA 1.242 55.933 54.840 -0.248 0.000 0.775 304 L CB -0.695 41.238 42.059 -0.209 0.000 0.913 304 L HN 0.370 nan 8.230 nan 0.000 0.440 305 A N -0.236 122.494 122.820 -0.151 0.000 2.014 305 A HA 0.296 4.618 4.320 0.003 0.000 0.218 305 A C 1.294 178.845 177.584 -0.055 0.000 1.163 305 A CA 1.034 53.015 52.037 -0.092 0.000 0.652 305 A CB -0.444 18.502 19.000 -0.090 0.000 0.808 305 A HN 0.480 nan 8.150 nan 0.000 0.449 306 G N -3.079 105.668 108.800 -0.089 0.000 2.663 306 G HA2 0.406 4.367 3.960 0.003 0.000 0.686 306 G HA3 0.406 4.367 3.960 0.003 0.000 0.686 306 G C 0.208 175.097 174.900 -0.018 0.000 1.288 306 G CA -0.354 44.722 45.100 -0.040 0.000 0.836 306 G HN 1.265 nan 8.290 nan 0.000 0.584 307 G N -1.022 107.787 108.800 0.016 0.000 2.532 307 G HA2 0.699 4.661 3.960 0.003 0.000 0.291 307 G HA3 0.699 4.661 3.960 0.003 0.000 0.291 307 G C 0.655 175.632 174.900 0.128 0.000 1.349 307 G CA 0.880 46.004 45.100 0.040 0.000 1.038 307 G HN 1.895 nan 8.290 nan 0.000 0.518 308 S N -1.386 114.374 115.700 0.099 0.000 2.516 308 S HA 0.060 4.532 4.470 0.003 0.000 0.282 308 S C 1.189 175.915 174.600 0.211 0.000 1.286 308 S CA -0.244 58.023 58.200 0.110 0.000 1.066 308 S CB -0.151 63.088 63.200 0.065 0.000 0.884 308 S HN 0.572 nan 8.310 nan 0.000 0.491 309 H N 3.013 122.100 119.070 0.029 0.000 2.423 309 H HA -0.046 4.511 4.556 0.002 0.000 0.297 309 H C 1.466 176.827 175.328 0.055 0.000 1.075 309 H CA 1.243 57.319 56.048 0.046 0.000 1.342 309 H CB 0.283 30.071 29.762 0.044 0.000 1.395 309 H HN 0.609 nan 8.280 nan 0.000 0.530 310 E N 1.006 121.309 120.200 0.172 0.000 2.204 310 E HA -0.072 4.280 4.350 0.003 0.000 0.194 310 E C 2.227 178.894 176.600 0.111 0.000 0.989 310 E CA 0.756 57.226 56.400 0.117 0.000 0.824 310 E CB -0.079 29.666 29.700 0.074 0.000 0.756 310 E HN 0.429 nan 8.360 nan 0.000 0.477 311 A N 0.331 123.221 122.820 0.116 0.000 2.015 311 A HA -0.037 4.285 4.320 0.003 0.000 0.219 311 A C 1.352 179.035 177.584 0.165 0.000 1.163 311 A CA 0.529 52.644 52.037 0.129 0.000 0.646 311 A CB -0.329 18.748 19.000 0.128 0.000 0.806 311 A HN 0.241 nan 8.150 nan 0.000 0.448 312 M N 2.267 121.944 119.600 0.128 0.000 2.383 312 M HA 0.198 4.679 4.480 0.003 0.000 0.337 312 M C 0.768 177.166 176.300 0.163 0.000 1.422 312 M CA 0.565 55.924 55.300 0.098 0.000 1.333 312 M CB -0.012 32.608 32.600 0.034 0.000 1.488 312 M HN 0.237 nan 8.290 nan 0.000 0.454 313 T N -0.815 113.867 114.554 0.214 0.000 3.085 313 T HA 0.179 4.530 4.350 0.003 0.000 0.264 313 T C 0.400 175.228 174.700 0.213 0.000 1.019 313 T CA -0.455 61.755 62.100 0.184 0.000 0.910 313 T CB -0.272 68.686 68.868 0.150 0.000 1.059 313 T HN 0.587 nan 8.240 nan 0.000 0.542 314 D N 2.249 122.826 120.400 0.296 0.000 2.346 314 D HA 0.092 4.734 4.640 0.003 0.000 0.267 314 D C 0.932 177.388 176.300 0.260 0.000 1.320 314 D CA 0.083 54.274 54.000 0.318 0.000 0.951 314 D CB 0.815 41.895 40.800 0.467 0.000 1.079 314 D HN 0.340 nan 8.370 nan 0.000 0.509 315 K N 2.174 122.683 120.400 0.182 0.000 2.152 315 K HA -0.133 4.189 4.320 0.003 0.000 0.206 315 K C 1.929 178.603 176.600 0.123 0.000 1.048 315 K CA 1.075 57.440 56.287 0.130 0.000 0.933 315 K CB 0.036 32.592 32.500 0.092 0.000 0.721 315 K HN 0.474 nan 8.250 nan 0.000 0.447 316 G N 1.100 109.990 108.800 0.150 0.000 2.459 316 G HA2 -0.280 3.681 3.960 0.003 0.000 0.217 316 G HA3 -0.280 3.681 3.960 0.003 0.000 0.217 316 G C 1.308 176.295 174.900 0.144 0.000 1.183 316 G CA 0.563 45.735 45.100 0.119 0.000 0.776 316 G HN 0.233 nan 8.290 nan 0.000 0.552 317 F N 2.512 122.511 119.950 0.083 0.000 2.146 317 F HA -0.071 4.457 4.527 0.003 0.000 0.298 317 F C 3.049 178.947 175.800 0.164 0.000 1.096 317 F CA 2.184 60.269 58.000 0.141 0.000 1.275 317 F CB -0.575 38.582 39.000 0.262 0.000 1.008 317 F HN 0.233 nan 8.300 nan 0.000 0.480 318 T N -2.313 112.334 114.554 0.155 0.000 3.055 318 T HA -0.083 4.268 4.350 0.003 0.000 0.265 318 T C 1.729 176.399 174.700 -0.051 0.000 1.111 318 T CA 0.990 63.110 62.100 0.033 0.000 1.118 318 T CB -0.552 68.381 68.868 0.108 0.000 0.909 318 T HN 0.145 nan 8.240 nan 0.000 0.501 319 N N 1.482 120.151 118.700 -0.052 0.000 2.166 319 N HA -0.042 4.700 4.740 0.003 0.000 0.186 319 N C 1.882 177.273 175.510 -0.198 0.000 1.019 319 N CA 1.703 54.699 53.050 -0.089 0.000 0.856 319 N CB -0.634 37.817 38.487 -0.059 0.000 0.993 319 N HN 0.504 nan 8.380 nan 0.000 0.426 320 T N -0.724 113.618 114.554 -0.352 0.000 2.976 320 T HA 0.144 4.496 4.350 0.003 0.000 0.257 320 T C -0.026 174.169 174.700 -0.842 0.000 1.051 320 T CA 0.572 62.269 62.100 -0.672 0.000 1.141 320 T CB 0.070 68.341 68.868 -0.995 0.000 0.881 320 T HN 0.033 nan 8.240 nan 0.000 0.461 321 F N 1.950 121.701 119.950 -0.332 0.000 2.564 321 F HA 0.365 4.894 4.527 0.002 0.000 0.361 321 F C -1.864 173.782 175.800 -0.256 0.000 1.161 321 F CA -3.052 54.735 58.000 -0.355 0.000 1.198 321 F CB 1.362 39.957 39.000 -0.675 0.000 1.424 321 F HN -0.084 nan 8.300 nan 0.000 0.517 322 P HA -0.183 nan 4.420 nan 0.000 0.217 322 P C 0.367 177.667 177.300 0.001 0.000 1.148 322 P CA 1.608 64.705 63.100 -0.005 0.000 0.828 322 P CB 0.468 32.167 31.700 -0.002 0.000 0.783 323 D N -0.506 119.879 120.400 -0.025 0.000 2.427 323 D HA 0.180 4.822 4.640 0.003 0.000 0.224 323 D C 1.230 177.323 176.300 -0.346 0.000 1.157 323 D CA 0.046 53.967 54.000 -0.131 0.000 0.828 323 D CB 0.160 40.941 40.800 -0.032 0.000 0.974 323 D HN 0.117 nan 8.370 nan 0.000 0.498 324 G N 0.481 109.202 108.800 -0.132 0.000 2.616 324 G HA2 0.466 4.428 3.960 0.003 0.000 0.268 324 G HA3 0.466 4.428 3.960 0.003 0.000 0.268 324 G C 0.190 175.113 174.900 0.038 0.000 1.213 324 G CA -0.051 45.055 45.100 0.011 0.000 0.926 324 G HN 0.203 nan 8.290 nan 0.000 0.523 325 S N -1.702 114.105 115.700 0.180 0.000 2.694 325 S HA 0.584 5.055 4.470 0.003 0.000 0.273 325 S C -1.687 172.882 174.600 -0.051 0.000 1.180 325 S CA -0.881 57.332 58.200 0.022 0.000 0.864 325 S CB 1.367 64.579 63.200 0.020 0.000 1.198 325 S HN 1.177 nan 8.310 nan 0.000 0.499 326 Y N 0.141 120.253 120.300 -0.314 0.000 2.441 326 Y HA 0.657 5.208 4.550 0.003 0.000 0.334 326 Y C -0.924 174.863 175.900 -0.188 0.000 1.061 326 Y CA 0.004 57.863 58.100 -0.402 0.000 1.032 326 Y CB 2.205 40.162 38.460 -0.838 0.000 1.266 326 Y HN 1.122 nan 8.280 nan 0.000 0.441 327 T N 5.617 119.967 114.554 -0.340 0.000 2.982 327 T HA 0.390 4.742 4.350 0.003 0.000 0.321 327 T C -0.900 173.654 174.700 -0.245 0.000 1.229 327 T CA -0.574 61.422 62.100 -0.174 0.000 1.044 327 T CB 0.902 69.680 68.868 -0.150 0.000 1.184 327 T HN 0.844 nan 8.240 nan 0.000 0.477 328 R N 3.301 123.740 120.500 -0.102 0.000 3.516 328 R HA -0.164 4.178 4.340 0.003 0.000 0.271 328 R C 0.036 176.389 176.300 0.088 0.000 1.098 328 R CA 0.845 56.941 56.100 -0.007 0.000 0.732 328 R CB -1.474 28.668 30.300 -0.264 0.000 1.152 328 R HN 0.803 nan 8.270 nan 0.000 0.455 329 Q N -4.443 115.286 119.800 -0.119 0.000 2.465 329 Q HA -0.232 4.110 4.340 0.003 0.000 0.248 329 Q C -0.849 174.844 176.000 -0.512 0.000 0.819 329 Q CA 2.020 57.706 55.803 -0.194 0.000 1.219 329 Q CB -1.604 27.114 28.738 -0.034 0.000 1.472 329 Q HN 0.601 nan 8.270 nan 0.000 0.630 330 W N -0.245 120.624 121.300 -0.719 0.000 2.736 330 W HA 0.570 5.232 4.660 0.003 0.000 0.335 330 W C -0.159 175.896 176.519 -0.774 0.000 1.059 330 W CA -0.618 56.437 57.345 -0.484 0.000 1.226 330 W CB 0.679 29.980 29.460 -0.265 0.000 1.416 330 W HN 0.039 nan 8.180 nan 0.000 0.505 331 W N 2.074 123.304 121.300 -0.116 0.000 2.316 331 W HA 0.485 5.147 4.660 0.002 0.000 0.311 331 W C -0.626 175.863 176.519 -0.051 0.000 1.217 331 W CA -0.323 56.945 57.345 -0.128 0.000 1.199 331 W CB 0.781 30.190 29.460 -0.085 0.000 1.202 331 W HN -0.008 nan 8.180 nan 0.000 0.528 332 C N 2.779 122.179 119.300 0.167 0.000 2.301 332 C HA 0.232 4.694 4.460 0.003 0.000 0.323 332 C C 1.777 176.821 174.990 0.090 0.000 1.265 332 C CA -0.524 58.522 59.018 0.047 0.000 1.503 332 C CB 0.315 28.032 27.740 -0.038 0.000 2.195 332 C HN 0.871 nan 8.230 nan 0.000 0.477 333 T N -0.613 113.828 114.554 -0.187 0.000 2.867 333 T HA 0.077 4.429 4.350 0.003 0.000 0.268 333 T C 1.699 176.264 174.700 -0.224 0.000 1.057 333 T CA 1.397 63.173 62.100 -0.540 0.000 1.136 333 T CB -0.352 67.961 68.868 -0.925 0.000 0.874 333 T HN 1.739 nan 8.240 nan 0.000 0.466 334 G N 2.745 111.457 108.800 -0.147 0.000 2.187 334 G HA2 -0.329 3.632 3.960 0.003 0.000 0.261 334 G HA3 -0.329 3.632 3.960 0.003 0.000 0.261 334 G C 0.035 174.919 174.900 -0.027 0.000 1.000 334 G CA 0.396 45.443 45.100 -0.089 0.000 0.718 334 G HN 1.080 nan 8.290 nan 0.000 0.519 335 N N 0.111 118.802 118.700 -0.015 0.000 2.327 335 N HA 0.267 5.009 4.740 0.003 0.000 0.257 335 N C 1.431 176.963 175.510 0.036 0.000 1.281 335 N CA 0.064 53.153 53.050 0.064 0.000 0.942 335 N CB 0.109 38.692 38.487 0.159 0.000 1.199 335 N HN 0.549 nan 8.380 nan 0.000 0.532 336 E N -0.816 119.418 120.200 0.056 0.000 2.338 336 E HA -0.153 4.199 4.350 0.003 0.000 0.197 336 E C 0.838 177.456 176.600 0.030 0.000 1.007 336 E CA 0.806 57.230 56.400 0.040 0.000 0.849 336 E CB -0.195 29.532 29.700 0.045 0.000 0.774 336 E HN 0.548 nan 8.360 nan 0.000 0.506 337 R N 0.014 120.535 120.500 0.034 0.000 2.312 337 R HA 0.137 4.478 4.340 0.003 0.000 0.205 337 R C 1.091 177.369 176.300 -0.035 0.000 0.904 337 R CA 0.408 56.520 56.100 0.020 0.000 1.052 337 R CB 0.491 30.829 30.300 0.064 0.000 1.014 337 R HN 0.313 nan 8.270 nan 0.000 0.503 338 G N 2.034 110.800 108.800 -0.058 0.000 2.198 338 G HA2 -0.326 3.636 3.960 0.003 0.000 0.260 338 G HA3 -0.326 3.636 3.960 0.003 0.000 0.260 338 G C -0.503 174.277 174.900 -0.200 0.000 1.025 338 G CA 0.157 45.192 45.100 -0.108 0.000 0.769 338 G HN 0.411 nan 8.290 nan 0.000 0.507 339 N N -0.891 117.650 118.700 -0.266 0.000 2.458 339 N HA 0.397 5.139 4.740 0.003 0.000 0.258 339 N C 0.102 175.282 175.510 -0.549 0.000 1.219 339 N CA 0.382 53.108 53.050 -0.540 0.000 0.902 339 N CB 1.135 39.127 38.487 -0.825 0.000 1.076 339 N HN 0.174 nan 8.380 nan 0.000 0.455 340 V N 0.631 120.214 119.914 -0.552 0.000 2.876 340 V HA 0.662 4.783 4.120 0.003 0.000 0.312 340 V C -0.397 175.579 176.094 -0.196 0.000 1.085 340 V CA -0.654 61.460 62.300 -0.310 0.000 0.945 340 V CB 2.040 33.698 31.823 -0.276 0.000 1.017 340 V HN 0.646 nan 8.190 nan 0.000 0.428 341 S N 1.178 116.978 115.700 0.166 0.000 2.533 341 S HA 0.714 5.185 4.470 0.003 0.000 0.271 341 S C -0.226 174.673 174.600 0.498 0.000 1.143 341 S CA -0.029 58.390 58.200 0.366 0.000 0.891 341 S CB 1.705 65.115 63.200 0.349 0.000 1.105 341 S HN 1.265 nan 8.310 nan 0.000 0.468 342 G N 2.707 111.702 108.800 0.325 0.000 2.432 342 G HA2 0.612 4.573 3.960 0.003 0.000 0.257 342 G HA3 0.612 4.573 3.960 0.003 0.000 0.257 342 G C -0.770 174.255 174.900 0.208 0.000 1.238 342 G CA -0.336 44.808 45.100 0.074 0.000 0.838 342 G HN 0.722 nan 8.290 nan 0.000 0.547 343 I N 0.945 121.661 120.570 0.243 0.000 2.619 343 I HA 0.563 4.735 4.170 0.003 0.000 0.292 343 I C 0.370 176.572 176.117 0.142 0.000 1.100 343 I CA -0.818 60.564 61.300 0.136 0.000 1.043 343 I CB 2.608 40.559 38.000 -0.081 0.000 1.239 343 I HN 0.645 nan 8.210 nan 0.000 0.420 344 G N 5.344 114.171 108.800 0.045 0.000 2.563 344 G HA2 0.705 4.666 3.960 0.003 0.000 0.302 344 G HA3 0.705 4.666 3.960 0.003 0.000 0.302 344 G C -0.456 174.377 174.900 -0.112 0.000 1.301 344 G CA -0.857 44.259 45.100 0.027 0.000 0.965 344 G HN 0.718 nan 8.290 nan 0.000 0.480 345 I N -1.092 119.405 120.570 -0.121 0.000 3.045 345 I HA 0.138 4.310 4.170 0.003 0.000 0.288 345 I C 0.773 176.704 176.117 -0.310 0.000 1.238 345 I CA 0.027 61.173 61.300 -0.257 0.000 1.396 345 I CB 0.116 37.898 38.000 -0.362 0.000 1.355 345 I HN 0.812 nan 8.210 nan 0.000 0.601 346 H N 2.415 121.144 119.070 -0.569 0.000 3.080 346 H HA -0.150 4.408 4.556 0.002 0.000 0.254 346 H C 1.018 175.346 175.328 -1.666 0.000 1.179 346 H CA 0.926 56.500 56.048 -0.791 0.000 1.144 346 H CB -1.767 27.775 29.762 -0.366 0.000 1.261 346 H HN 1.450 nan 8.280 nan 0.000 0.333 347 G N 0.605 108.200 108.800 -2.009 0.000 2.215 347 G HA2 -0.206 3.755 3.960 0.003 0.000 0.198 347 G HA3 -0.206 3.755 3.960 0.003 0.000 0.198 347 G C -0.249 174.276 174.900 -0.625 0.000 1.047 347 G CA 0.063 44.123 45.100 -1.733 0.000 0.747 347 G HN 0.320 nan 8.290 nan 0.000 0.495 348 Q N 0.175 119.732 119.800 -0.405 0.000 2.278 348 Q HA 0.620 4.961 4.340 0.003 0.000 0.257 348 Q C -0.166 175.806 176.000 -0.046 0.000 0.928 348 Q CA -0.358 55.343 55.803 -0.170 0.000 0.932 348 Q CB 1.362 30.050 28.738 -0.082 0.000 1.221 348 Q HN 0.480 nan 8.270 nan 0.000 0.434 349 N N 1.370 120.085 118.700 0.026 0.000 2.260 349 N HA 0.422 5.164 4.740 0.003 0.000 0.293 349 N C -1.526 174.089 175.510 0.175 0.000 1.058 349 N CA -0.659 52.480 53.050 0.149 0.000 0.824 349 N CB 1.739 40.360 38.487 0.223 0.000 1.551 349 N HN 0.326 nan 8.380 nan 0.000 0.475 350 L N 2.823 124.182 121.223 0.227 0.000 2.313 350 L HA 0.492 4.834 4.340 0.003 0.000 0.273 350 L C -1.443 175.675 176.870 0.413 0.000 1.028 350 L CA -0.595 54.409 54.840 0.273 0.000 0.871 350 L CB 0.110 42.306 42.059 0.229 0.000 1.242 350 L HN 0.608 nan 8.230 nan 0.000 0.434 351 W N 7.845 129.245 121.300 0.166 0.000 2.429 351 W HA 0.466 5.127 4.660 0.002 0.000 0.314 351 W C -1.820 174.773 176.519 0.123 0.000 1.062 351 W CA -0.932 56.508 57.345 0.159 0.000 1.211 351 W CB 1.425 30.959 29.460 0.124 0.000 1.305 351 W HN 0.353 nan 8.180 nan 0.000 0.476 352 L N 5.786 126.924 121.223 -0.142 0.000 2.295 352 L HA 0.207 4.548 4.340 0.003 0.000 0.285 352 L C -0.403 176.307 176.870 -0.266 0.000 1.035 352 L CA -0.284 54.474 54.840 -0.137 0.000 0.806 352 L CB 1.407 43.355 42.059 -0.185 0.000 1.214 352 L HN 0.352 nan 8.230 nan 0.000 0.426 353 D N 4.390 124.766 120.400 -0.041 0.000 2.456 353 D HA 0.253 4.894 4.640 0.003 0.000 0.287 353 D C -1.495 174.800 176.300 -0.007 0.000 1.186 353 D CA -1.688 52.316 54.000 0.007 0.000 0.916 353 D CB 1.230 42.141 40.800 0.186 0.000 1.029 353 D HN 0.172 nan 8.370 nan 0.000 0.498 354 P HA -0.191 nan 4.420 nan 0.000 0.217 354 P C 1.778 179.067 177.300 -0.019 0.000 1.148 354 P CA 0.716 63.787 63.100 -0.049 0.000 0.828 354 P CB 0.484 32.135 31.700 -0.082 0.000 0.783 355 L N -0.242 120.977 121.223 -0.007 0.000 2.043 355 L HA -0.142 4.199 4.340 0.003 0.000 0.212 355 L C 2.289 179.170 176.870 0.019 0.000 1.075 355 L CA 2.465 57.310 54.840 0.009 0.000 0.752 355 L CB -1.306 40.767 42.059 0.023 0.000 0.891 355 L HN 0.187 nan 8.230 nan 0.000 0.432 356 T N -5.672 108.901 114.554 0.031 0.000 3.105 356 T HA 0.081 4.432 4.350 0.003 0.000 0.253 356 T C 0.593 175.310 174.700 0.029 0.000 1.047 356 T CA 0.161 62.283 62.100 0.036 0.000 0.944 356 T CB 0.142 69.043 68.868 0.054 0.000 1.016 356 T HN 0.258 nan 8.240 nan 0.000 0.544 357 D N 0.493 120.904 120.400 0.018 0.000 2.772 357 D HA -0.153 4.488 4.640 0.003 0.000 0.233 357 D C -0.710 175.603 176.300 0.022 0.000 1.143 357 D CA 0.554 54.560 54.000 0.011 0.000 0.700 357 D CB -1.469 39.336 40.800 0.008 0.000 1.076 357 D HN 0.544 nan 8.370 nan 0.000 0.430 358 S N -1.179 114.544 115.700 0.038 0.000 2.566 358 S HA 0.796 5.268 4.470 0.003 0.000 0.298 358 S C -0.320 174.328 174.600 0.080 0.000 1.083 358 S CA -0.744 57.490 58.200 0.057 0.000 0.978 358 S CB 2.671 65.915 63.200 0.073 0.000 1.073 358 S HN 0.102 nan 8.310 nan 0.000 0.491 359 V N 2.752 122.713 119.914 0.078 0.000 2.540 359 V HA 0.530 4.652 4.120 0.003 0.000 0.302 359 V C -0.756 175.394 176.094 0.092 0.000 1.035 359 V CA -0.562 61.804 62.300 0.110 0.000 0.873 359 V CB 1.452 33.326 31.823 0.084 0.000 0.992 359 V HN 0.760 nan 8.190 nan 0.000 0.428 360 I N 4.551 125.224 120.570 0.171 0.000 2.362 360 I HA 0.469 4.641 4.170 0.003 0.000 0.289 360 I C -0.609 175.532 176.117 0.041 0.000 0.994 360 I CA -0.798 60.518 61.300 0.025 0.000 1.158 360 I CB 1.984 40.000 38.000 0.027 0.000 1.315 360 I HN 0.262 nan 8.210 nan 0.000 0.451 361 V N 6.786 126.639 119.914 -0.102 0.000 2.398 361 V HA 0.372 4.493 4.120 0.003 0.000 0.286 361 V C -0.072 175.971 176.094 -0.084 0.000 1.026 361 V CA -0.568 61.708 62.300 -0.039 0.000 0.868 361 V CB 1.646 33.458 31.823 -0.019 0.000 0.982 361 V HN 0.628 nan 8.190 nan 0.000 0.443 362 K N 5.611 126.018 120.400 0.012 0.000 2.545 362 K HA 0.668 4.989 4.320 0.003 0.000 0.252 362 K C -1.703 174.849 176.600 -0.080 0.000 0.948 362 K CA -0.578 55.740 56.287 0.053 0.000 0.827 362 K CB 1.348 33.940 32.500 0.152 0.000 1.128 362 K HN 0.606 nan 8.250 nan 0.000 0.429 363 L N 2.956 124.055 121.223 -0.207 0.000 2.333 363 L HA 0.525 4.867 4.340 0.003 0.000 0.280 363 L C -0.616 175.944 176.870 -0.517 0.000 1.004 363 L CA -0.571 53.965 54.840 -0.506 0.000 0.820 363 L CB 2.057 43.621 42.059 -0.823 0.000 1.247 363 L HN 0.653 nan 8.230 nan 0.000 0.416 364 S N 0.216 115.687 115.700 -0.382 0.000 2.732 364 S HA 0.636 5.108 4.470 0.003 0.000 0.293 364 S C -0.582 173.988 174.600 -0.049 0.000 1.159 364 S CA -0.763 57.336 58.200 -0.169 0.000 0.847 364 S CB 2.106 65.180 63.200 -0.209 0.000 1.169 364 S HN 0.578 nan 8.310 nan 0.000 0.501 365 S N 0.153 115.853 115.700 -0.001 0.000 2.359 365 S HA 0.310 4.782 4.470 0.003 0.000 0.148 365 S C -0.871 173.687 174.600 -0.070 0.000 1.610 365 S CA -0.812 57.365 58.200 -0.038 0.000 1.274 365 S CB -0.331 62.869 63.200 0.001 0.000 1.380 365 S HN 0.583 nan 8.310 nan 0.000 0.380 366 W N 2.425 123.512 121.300 -0.355 0.000 2.274 366 W HA 0.219 4.881 4.660 0.002 0.000 0.345 366 W C -1.945 174.213 176.519 -0.602 0.000 1.265 366 W CA -1.761 55.042 57.345 -0.903 0.000 1.293 366 W CB -0.701 28.088 29.460 -1.117 0.000 1.175 366 W HN 0.292 nan 8.180 nan 0.000 0.577 367 P HA -0.126 nan 4.420 nan 0.000 0.218 367 P C -0.055 177.316 177.300 0.119 0.000 1.149 367 P CA 1.666 64.667 63.100 -0.165 0.000 0.817 367 P CB 0.336 31.954 31.700 -0.138 0.000 0.785 368 D N -1.187 119.305 120.400 0.153 0.000 2.185 368 D HA 0.135 4.776 4.640 0.003 0.000 0.247 368 D C -1.632 174.640 176.300 -0.047 0.000 1.027 368 D CA -1.839 52.283 54.000 0.203 0.000 0.861 368 D CB 1.616 42.645 40.800 0.383 0.000 1.202 368 D HN -0.005 nan 8.370 nan 0.000 0.453 369 P HA -0.098 nan 4.420 nan 0.000 0.216 369 P C 0.085 177.369 177.300 -0.027 0.000 1.153 369 P CA 1.328 64.006 63.100 -0.704 0.000 0.848 369 P CB 0.573 32.088 31.700 -0.308 0.000 0.787 370 D N -0.645 119.916 120.400 0.268 0.000 2.333 370 D HA 0.208 4.849 4.640 0.003 0.000 0.225 370 D C -1.231 175.305 176.300 0.394 0.000 1.345 370 D CA -0.270 53.998 54.000 0.448 0.000 0.971 370 D CB 0.452 41.515 40.800 0.439 0.000 1.451 370 D HN 0.000 nan 8.370 nan 0.000 0.561 371 T N -0.149 114.642 114.554 0.394 0.000 2.896 371 T HA 0.447 4.798 4.350 0.003 0.000 0.297 371 T C 1.032 175.856 174.700 0.207 0.000 1.108 371 T CA -0.695 61.543 62.100 0.230 0.000 1.004 371 T CB 1.851 70.776 68.868 0.095 0.000 1.159 371 T HN 0.115 nan 8.240 nan 0.000 0.499 372 E N -0.024 120.245 120.200 0.116 0.000 2.118 372 E HA -0.251 4.101 4.350 0.003 0.000 0.195 372 E C 1.624 178.213 176.600 -0.019 0.000 0.992 372 E CA 1.730 58.173 56.400 0.072 0.000 0.804 372 E CB -0.300 29.413 29.700 0.022 0.000 0.741 372 E HN 0.846 nan 8.360 nan 0.000 0.458 373 H N -0.384 118.545 119.070 -0.235 0.000 2.290 373 H HA -0.180 4.377 4.556 0.003 0.000 0.298 373 H C 1.675 176.714 175.328 -0.482 0.000 1.087 373 H CA 2.209 58.003 56.048 -0.424 0.000 1.291 373 H CB -0.385 28.976 29.762 -0.669 0.000 1.369 373 H HN 0.209 nan 8.280 nan 0.000 0.492 374 W N -0.145 120.829 121.300 -0.542 0.000 2.381 374 W HA -0.130 4.532 4.660 0.002 0.000 0.301 374 W C 2.685 178.676 176.519 -0.880 0.000 1.205 374 W CA 0.814 57.486 57.345 -1.121 0.000 1.285 374 W CB -0.127 28.056 29.460 -2.128 0.000 1.133 374 W HN 0.360 nan 8.180 nan 0.000 0.521 375 H N -0.021 118.931 119.070 -0.197 0.000 2.389 375 H HA -0.089 4.468 4.556 0.002 0.000 0.299 375 H C 2.183 177.496 175.328 -0.026 0.000 1.081 375 H CA 1.711 57.790 56.048 0.052 0.000 1.345 375 H CB -0.318 29.523 29.762 0.130 0.000 1.393 375 H HN 0.213 nan 8.280 nan 0.000 0.520 376 R N 0.853 121.340 120.500 -0.022 0.000 2.073 376 R HA -0.103 4.239 4.340 0.003 0.000 0.234 376 R C 2.398 178.627 176.300 -0.118 0.000 1.134 376 R CA 1.050 57.094 56.100 -0.093 0.000 0.952 376 R CB -0.211 29.998 30.300 -0.151 0.000 0.850 376 R HN 0.206 nan 8.270 nan 0.000 0.433 377 L N 0.308 121.409 121.223 -0.203 0.000 2.017 377 L HA -0.188 4.154 4.340 0.003 0.000 0.208 377 L C 2.818 179.652 176.870 -0.061 0.000 1.073 377 L CA 1.611 56.353 54.840 -0.163 0.000 0.745 377 L CB -0.504 41.423 42.059 -0.221 0.000 0.894 377 L HN 0.332 nan 8.230 nan 0.000 0.432 378 Q N 0.278 120.085 119.800 0.012 0.000 2.050 378 Q HA -0.190 4.152 4.340 0.003 0.000 0.202 378 Q C 2.039 178.059 176.000 0.034 0.000 0.980 378 Q CA 1.664 57.533 55.803 0.109 0.000 0.840 378 Q CB 0.044 28.991 28.738 0.349 0.000 0.898 378 Q HN 0.362 nan 8.270 nan 0.000 0.424 379 N N -0.426 118.318 118.700 0.073 0.000 2.244 379 N HA -0.088 4.653 4.740 0.003 0.000 0.183 379 N C 1.583 177.067 175.510 -0.042 0.000 1.016 379 N CA 1.216 54.294 53.050 0.046 0.000 0.866 379 N CB -0.504 38.093 38.487 0.184 0.000 0.980 379 N HN 0.442 nan 8.380 nan 0.000 0.430 380 G N 1.267 110.038 108.800 -0.048 0.000 2.418 380 G HA2 -0.165 3.796 3.960 0.003 0.000 0.217 380 G HA3 -0.165 3.796 3.960 0.003 0.000 0.217 380 G C 1.673 176.521 174.900 -0.086 0.000 1.158 380 G CA 0.348 45.410 45.100 -0.063 0.000 0.771 380 G HN 0.261 nan 8.290 nan 0.000 0.545 381 I N 0.283 120.789 120.570 -0.107 0.000 2.202 381 I HA -0.105 4.066 4.170 0.003 0.000 0.242 381 I C 2.695 178.714 176.117 -0.164 0.000 1.091 381 I CA 0.680 61.902 61.300 -0.130 0.000 1.368 381 I CB -0.215 37.701 38.000 -0.140 0.000 1.058 381 I HN 0.121 nan 8.210 nan 0.000 0.410 382 L N 0.116 121.162 121.223 -0.294 0.000 2.083 382 L HA -0.208 4.134 4.340 0.003 0.000 0.209 382 L C 2.493 179.080 176.870 -0.472 0.000 1.083 382 L CA 1.259 55.732 54.840 -0.612 0.000 0.752 382 L CB -0.490 40.775 42.059 -1.324 0.000 0.899 382 L HN 0.264 nan 8.230 nan 0.000 0.433 383 L N -0.701 120.377 121.223 -0.242 0.000 2.072 383 L HA -0.178 4.163 4.340 0.003 0.000 0.205 383 L C 2.205 179.096 176.870 0.034 0.000 1.079 383 L CA 0.920 55.780 54.840 0.034 0.000 0.752 383 L CB -0.535 41.592 42.059 0.113 0.000 0.906 383 L HN 0.222 nan 8.230 nan 0.000 0.436 384 D N -0.291 120.100 120.400 -0.016 0.000 2.117 384 D HA -0.149 4.492 4.640 0.003 0.000 0.197 384 D C 2.327 178.635 176.300 0.014 0.000 0.987 384 D CA 1.084 55.081 54.000 -0.004 0.000 0.829 384 D CB -0.165 40.616 40.800 -0.032 0.000 0.961 384 D HN 0.052 nan 8.370 nan 0.000 0.460 385 V N 0.623 120.540 119.914 0.006 0.000 2.358 385 V HA -0.203 3.918 4.120 0.003 0.000 0.246 385 V C 2.455 178.597 176.094 0.079 0.000 1.047 385 V CA 1.560 63.893 62.300 0.055 0.000 1.035 385 V CB -0.494 31.396 31.823 0.112 0.000 0.658 385 V HN 0.138 nan 8.190 nan 0.000 0.452 386 S N -0.284 115.474 115.700 0.097 0.000 2.359 386 S HA -0.224 4.247 4.470 0.003 0.000 0.224 386 S C 2.094 176.769 174.600 0.125 0.000 1.035 386 S CA 1.614 59.917 58.200 0.172 0.000 1.018 386 S CB -0.341 63.050 63.200 0.318 0.000 0.876 386 S HN 0.531 nan 8.310 nan 0.000 0.448 387 R N 0.995 121.556 120.500 0.103 0.000 2.115 387 R HA 0.062 4.404 4.340 0.003 0.000 0.230 387 R C 2.422 178.757 176.300 0.059 0.000 1.111 387 R CA 1.019 57.165 56.100 0.077 0.000 0.976 387 R CB -0.405 29.934 30.300 0.065 0.000 0.870 387 R HN 0.400 nan 8.270 nan 0.000 0.445 388 A N 0.837 123.689 122.820 0.054 0.000 2.121 388 A HA -0.062 4.259 4.320 0.003 0.000 0.218 388 A C 1.895 179.509 177.584 0.049 0.000 1.154 388 A CA 0.934 52.998 52.037 0.045 0.000 0.679 388 A CB -0.249 18.776 19.000 0.042 0.000 0.795 388 A HN 0.191 nan 8.150 nan 0.000 0.458 389 L N -0.412 120.847 121.223 0.060 0.000 2.558 389 L HA 0.061 4.403 4.340 0.003 0.000 0.225 389 L C -0.181 176.718 176.870 0.049 0.000 1.128 389 L CA -0.345 54.529 54.840 0.056 0.000 0.868 389 L CB -0.276 41.824 42.059 0.068 0.000 1.006 389 L HN 0.147 nan 8.230 nan 0.000 0.454 390 D N 1.477 121.906 120.400 0.049 0.000 2.399 390 D HA 0.198 4.839 4.640 0.003 0.000 0.241 390 D C 0.427 176.746 176.300 0.032 0.000 1.133 390 D CA 0.200 54.224 54.000 0.041 0.000 0.890 390 D CB 1.109 41.933 40.800 0.041 0.000 1.201 390 D HN 0.069 nan 8.370 nan 0.000 0.432 391 A N 1.567 124.404 122.820 0.027 0.000 2.531 391 A HA 0.338 4.659 4.320 0.003 0.000 0.236 391 A C 0.156 177.752 177.584 0.021 0.000 1.062 391 A CA -0.084 51.966 52.037 0.022 0.000 0.760 391 A CB 0.537 19.548 19.000 0.019 0.000 0.995 391 A HN 0.355 nan 8.150 nan 0.000 0.501 392 V N 0.000 119.925 119.914 0.019 0.000 2.409 392 V HA 0.000 4.122 4.120 0.003 0.000 0.244 392 V CA 0.000 62.310 62.300 0.017 0.000 1.235 392 V CB 0.000 31.833 31.823 0.017 0.000 1.184 392 V HN 0.000 nan 8.190 nan 0.000 0.556