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 3isp_1_A DATA FIRST_RESID 5 DATA SEQUENCE QLDGPQLAAL AAVVELGSFD AAAERLHVTP SAVSQRIKSL EQQVGQVLVV DATA SEQUENCE REKPCRATTA GIPLLRLAAQ TALLESEALA EMGXXASLKR TRITIAVNAD DATA SEQUENCE SMATWFSAVF DGLGDVLLDV RIEDQDHSAR LLREGVAMGA VTTERNPVPG DATA SEQUENCE CRVHPLGEMR YLPVASRPFV QRHLSDGFTA AAAAKAPSLA WNRDDGLQDM DATA SEQUENCE LVRKAFRRAI TRPTHFVPTT EGFTAAARAG LGWGMFPEKL AASPLADGSF DATA SEQUENCE VRVCDIHLDV PLYWQCWKLD SPIIARITDT VRAAASGLYR GQ 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 Q HA 0.000 nan 4.340 nan 0.000 0.214 5 Q C 0.000 175.994 176.000 -0.010 0.000 1.003 5 Q CA 0.000 55.799 55.803 -0.007 0.000 1.022 5 Q CB 0.000 28.734 28.738 -0.006 0.000 1.108 6 L N -0.970 120.246 121.223 -0.011 0.000 2.742 6 L HA 0.436 4.775 4.340 -0.000 0.000 0.317 6 L C -0.477 176.382 176.870 -0.018 0.000 1.306 6 L CA -0.428 54.403 54.840 -0.015 0.000 0.692 6 L CB -0.130 41.919 42.059 -0.016 0.000 1.065 6 L HN 0.574 nan 8.230 nan 0.000 0.538 7 D N 0.018 120.408 120.400 -0.017 0.000 3.726 7 D HA 0.209 4.849 4.640 -0.000 0.000 0.232 7 D C 0.640 176.929 176.300 -0.018 0.000 1.609 7 D CA 1.330 55.318 54.000 -0.020 0.000 1.143 7 D CB -1.230 39.554 40.800 -0.027 0.000 0.732 7 D HN 0.962 nan 8.370 nan 0.000 0.907 8 G N -1.087 107.700 108.800 -0.022 0.000 2.174 8 G HA2 0.152 4.112 3.960 -0.000 0.000 0.070 8 G HA3 0.152 4.112 3.960 -0.000 0.000 0.070 8 G C -2.603 172.285 174.900 -0.020 0.000 1.120 8 G CA 0.186 45.274 45.100 -0.019 0.000 1.194 8 G HN 0.551 nan 8.290 nan 0.000 0.435 9 P HA 0.252 nan 4.420 nan 0.000 0.255 9 P C 1.047 178.333 177.300 -0.023 0.000 1.357 9 P CA 0.488 63.578 63.100 -0.017 0.000 0.839 9 P CB 0.468 32.162 31.700 -0.010 0.000 1.356 10 Q N -0.350 119.436 119.800 -0.024 0.000 2.062 10 Q HA 0.010 4.350 4.340 -0.000 0.000 0.196 10 Q C 1.918 177.895 176.000 -0.038 0.000 0.967 10 Q CA 0.991 56.777 55.803 -0.029 0.000 0.832 10 Q CB -0.465 28.260 28.738 -0.022 0.000 0.899 10 Q HN 0.269 nan 8.270 nan 0.000 0.442 11 L N 0.558 121.759 121.223 -0.037 0.000 2.012 11 L HA -0.236 4.104 4.340 -0.000 0.000 0.210 11 L C 2.583 179.427 176.870 -0.044 0.000 1.073 11 L CA 1.142 55.957 54.840 -0.042 0.000 0.748 11 L CB -0.801 41.232 42.059 -0.044 0.000 0.891 11 L HN 0.214 nan 8.230 nan 0.000 0.431 12 A N 0.286 123.083 122.820 -0.038 0.000 1.903 12 A HA -0.304 4.016 4.320 -0.000 0.000 0.219 12 A C 2.569 180.122 177.584 -0.052 0.000 1.191 12 A CA 2.371 54.386 52.037 -0.036 0.000 0.638 12 A CB -0.976 18.009 19.000 -0.026 0.000 0.823 12 A HN 0.440 nan 8.150 nan 0.000 0.451 13 A N -0.701 122.080 122.820 -0.065 0.000 1.865 13 A HA -0.073 4.247 4.320 -0.000 0.000 0.217 13 A C 2.150 179.651 177.584 -0.139 0.000 1.191 13 A CA 1.935 53.908 52.037 -0.106 0.000 0.623 13 A CB -0.802 18.134 19.000 -0.107 0.000 0.826 13 A HN 0.725 nan 8.150 nan 0.000 0.444 14 L N -0.125 121.034 121.223 -0.107 0.000 1.944 14 L HA -0.183 4.157 4.340 -0.000 0.000 0.218 14 L C 2.792 179.614 176.870 -0.081 0.000 1.075 14 L CA 2.690 57.472 54.840 -0.097 0.000 0.767 14 L CB -1.174 40.850 42.059 -0.057 0.000 0.890 14 L HN 0.396 nan 8.230 nan 0.000 0.434 15 A N -0.853 121.934 122.820 -0.054 0.000 1.948 15 A HA -0.217 4.103 4.320 -0.000 0.000 0.220 15 A C 2.388 179.950 177.584 -0.036 0.000 1.177 15 A CA 2.431 54.448 52.037 -0.033 0.000 0.636 15 A CB -1.258 17.729 19.000 -0.020 0.000 0.815 15 A HN 0.681 nan 8.150 nan 0.000 0.449 16 A N -0.885 121.902 122.820 -0.055 0.000 1.897 16 A HA 0.067 4.387 4.320 -0.000 0.000 0.215 16 A C 2.184 179.723 177.584 -0.075 0.000 1.181 16 A CA 1.596 53.599 52.037 -0.055 0.000 0.620 16 A CB -0.821 18.142 19.000 -0.062 0.000 0.821 16 A HN 0.416 nan 8.150 nan 0.000 0.443 17 V N -0.535 119.298 119.914 -0.134 0.000 2.515 17 V HA -0.172 3.948 4.120 -0.000 0.000 0.250 17 V C 2.453 178.508 176.094 -0.065 0.000 1.058 17 V CA 1.793 63.991 62.300 -0.170 0.000 1.064 17 V CB -0.341 31.245 31.823 -0.394 0.000 0.675 17 V HN 0.360 nan 8.190 nan 0.000 0.461 18 V N -0.464 119.424 119.914 -0.043 0.000 2.379 18 V HA -0.143 3.977 4.120 -0.000 0.000 0.243 18 V C 2.347 178.444 176.094 0.005 0.000 1.035 18 V CA 1.791 64.088 62.300 -0.005 0.000 1.035 18 V CB -0.246 31.576 31.823 -0.000 0.000 0.673 18 V HN 0.575 nan 8.190 nan 0.000 0.457 19 E N -0.509 119.691 120.200 -0.000 0.000 2.265 19 E HA -0.190 4.160 4.350 -0.000 0.000 0.196 19 E C 1.678 178.283 176.600 0.009 0.000 0.996 19 E CA 0.919 57.324 56.400 0.008 0.000 0.832 19 E CB 0.168 29.874 29.700 0.010 0.000 0.756 19 E HN 0.370 nan 8.360 nan 0.000 0.491 20 L N -1.087 120.138 121.223 0.003 0.000 2.701 20 L HA 0.300 4.640 4.340 -0.000 0.000 0.238 20 L C 1.074 177.956 176.870 0.021 0.000 1.106 20 L CA 0.874 55.719 54.840 0.009 0.000 0.898 20 L CB 0.678 42.737 42.059 0.001 0.000 1.188 20 L HN 0.171 nan 8.230 nan 0.000 0.508 21 G N 0.497 109.313 108.800 0.027 0.000 2.323 21 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.292 21 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.292 21 G C 0.234 175.178 174.900 0.074 0.000 1.040 21 G CA 0.756 45.885 45.100 0.049 0.000 0.942 21 G HN 0.560 nan 8.290 nan 0.000 0.506 22 S N -2.185 113.570 115.700 0.093 0.000 2.578 22 S HA 0.568 5.038 4.470 -0.000 0.000 0.285 22 S C 0.441 175.148 174.600 0.178 0.000 1.126 22 S CA -0.069 58.219 58.200 0.146 0.000 0.878 22 S CB 0.341 63.594 63.200 0.089 0.000 1.091 22 S HN 0.416 nan 8.310 nan 0.000 0.450 23 F N 2.219 122.170 119.950 0.001 0.000 2.163 23 F HA 0.105 4.632 4.527 -0.000 0.000 0.297 23 F C 2.093 177.893 175.800 -0.001 0.000 1.094 23 F CA 1.188 59.188 58.000 0.000 0.000 1.290 23 F CB -0.207 38.792 39.000 -0.002 0.000 1.017 23 F HN 0.617 nan 8.300 nan 0.000 0.483 24 D N -0.073 120.436 120.400 0.181 0.000 2.097 24 D HA -0.117 4.523 4.640 -0.000 0.000 0.197 24 D C 2.366 178.697 176.300 0.052 0.000 0.984 24 D CA 1.377 55.433 54.000 0.093 0.000 0.826 24 D CB -0.617 40.225 40.800 0.070 0.000 0.973 24 D HN 0.173 nan 8.370 nan 0.000 0.460 25 A N 1.178 124.027 122.820 0.050 0.000 1.859 25 A HA -0.139 4.181 4.320 -0.000 0.000 0.217 25 A C 2.275 179.865 177.584 0.009 0.000 1.198 25 A CA 2.632 54.685 52.037 0.027 0.000 0.629 25 A CB -1.029 17.988 19.000 0.027 0.000 0.830 25 A HN 0.240 nan 8.150 nan 0.000 0.446 26 A N -0.865 121.948 122.820 -0.011 0.000 2.178 26 A HA 0.274 4.594 4.320 -0.000 0.000 0.218 26 A C 2.229 179.792 177.584 -0.036 0.000 1.157 26 A CA 1.766 53.778 52.037 -0.041 0.000 0.689 26 A CB -0.697 18.242 19.000 -0.101 0.000 0.787 26 A HN 0.986 nan 8.150 nan 0.000 0.465 27 A N -0.416 122.394 122.820 -0.016 0.000 1.878 27 A HA -0.003 4.316 4.320 -0.000 0.000 0.213 27 A C 1.647 179.231 177.584 -0.001 0.000 1.192 27 A CA 1.046 53.078 52.037 -0.010 0.000 0.619 27 A CB -0.287 18.717 19.000 0.006 0.000 0.837 27 A HN 0.482 nan 8.150 nan 0.000 0.446 28 E N -0.866 119.338 120.200 0.008 0.000 2.528 28 E HA 0.099 4.449 4.350 -0.000 0.000 0.237 28 E C 0.654 177.272 176.600 0.029 0.000 1.408 28 E CA -0.042 56.369 56.400 0.019 0.000 1.571 28 E CB -0.017 29.694 29.700 0.018 0.000 1.395 28 E HN 0.327 nan 8.360 nan 0.000 0.438 29 R N -0.641 119.876 120.500 0.029 0.000 2.580 29 R HA 0.235 4.575 4.340 -0.000 0.000 0.285 29 R C 0.662 176.983 176.300 0.034 0.000 0.947 29 R CA 0.258 56.374 56.100 0.027 0.000 1.102 29 R CB 0.739 31.045 30.300 0.009 0.000 1.696 29 R HN 0.190 nan 8.270 nan 0.000 0.506 30 L N -0.493 120.757 121.223 0.044 0.000 3.259 30 L HA 0.326 4.666 4.340 -0.000 0.000 0.292 30 L C -0.454 176.492 176.870 0.126 0.000 1.219 30 L CA -0.371 54.502 54.840 0.055 0.000 1.035 30 L CB 0.482 42.551 42.059 0.017 0.000 1.424 30 L HN 0.342 nan 8.230 nan 0.000 0.603 31 H N 1.843 120.910 119.070 -0.006 0.000 2.841 31 H HA -0.107 4.449 4.556 -0.000 0.000 0.334 31 H C -1.317 174.010 175.328 -0.002 0.000 1.119 31 H CA 0.705 56.751 56.048 -0.002 0.000 1.109 31 H CB -0.527 29.234 29.762 -0.001 0.000 1.614 31 H HN 0.202 nan 8.280 nan 0.000 0.397 32 V N -0.148 119.709 119.914 -0.096 0.000 3.236 32 V HA 0.414 4.534 4.120 -0.000 0.000 0.287 32 V C 0.438 176.492 176.094 -0.067 0.000 1.491 32 V CA -0.588 61.664 62.300 -0.080 0.000 1.037 32 V CB 1.675 33.485 31.823 -0.021 0.000 1.160 32 V HN 0.546 nan 8.190 nan 0.000 0.453 33 T N -0.951 113.574 114.554 -0.049 0.000 2.907 33 T HA 0.460 4.810 4.350 -0.000 0.000 0.298 33 T C -1.504 173.204 174.700 0.013 0.000 1.017 33 T CA -0.967 61.120 62.100 -0.023 0.000 1.118 33 T CB 1.153 70.010 68.868 -0.018 0.000 0.948 33 T HN 0.599 nan 8.240 nan 0.000 0.531 34 P HA -0.275 nan 4.420 nan 0.000 0.221 34 P C 1.944 179.306 177.300 0.103 0.000 1.160 34 P CA 1.812 64.968 63.100 0.092 0.000 0.933 34 P CB -0.264 31.484 31.700 0.080 0.000 0.793 35 S N -1.393 114.344 115.700 0.062 0.000 2.381 35 S HA -0.310 4.160 4.470 -0.000 0.000 0.230 35 S C 1.916 176.548 174.600 0.053 0.000 1.052 35 S CA 2.050 60.282 58.200 0.053 0.000 1.068 35 S CB -1.140 62.076 63.200 0.027 0.000 0.918 35 S HN 0.160 nan 8.310 nan 0.000 0.448 36 A N 0.666 123.505 122.820 0.032 0.000 1.858 36 A HA -0.041 4.279 4.320 -0.000 0.000 0.216 36 A C 2.399 179.995 177.584 0.021 0.000 1.190 36 A CA 1.954 54.003 52.037 0.019 0.000 0.617 36 A CB -1.271 17.731 19.000 0.004 0.000 0.827 36 A HN 0.472 nan 8.150 nan 0.000 0.443 37 V N 0.078 120.001 119.914 0.015 0.000 2.324 37 V HA -0.274 3.846 4.120 -0.000 0.000 0.250 37 V C 2.839 178.948 176.094 0.026 0.000 1.060 37 V CA 2.465 64.747 62.300 -0.031 0.000 1.042 37 V CB -0.842 30.931 31.823 -0.084 0.000 0.650 37 V HN 0.584 nan 8.190 nan 0.000 0.450 38 S N -0.905 114.896 115.700 0.169 0.000 2.356 38 S HA -0.263 4.207 4.470 -0.000 0.000 0.223 38 S C 1.977 176.663 174.600 0.143 0.000 1.032 38 S CA 1.614 59.980 58.200 0.278 0.000 1.005 38 S CB -0.299 63.039 63.200 0.229 0.000 0.867 38 S HN 0.666 nan 8.310 nan 0.000 0.449 39 Q N 0.249 120.097 119.800 0.081 0.000 2.224 39 Q HA 0.016 4.356 4.340 -0.000 0.000 0.203 39 Q C 2.327 178.347 176.000 0.035 0.000 0.970 39 Q CA 0.813 56.645 55.803 0.049 0.000 0.865 39 Q CB -0.050 28.707 28.738 0.032 0.000 0.922 39 Q HN 0.356 nan 8.270 nan 0.000 0.445 40 R N 0.553 121.067 120.500 0.024 0.000 2.066 40 R HA -0.075 4.265 4.340 -0.000 0.000 0.232 40 R C 2.036 178.336 176.300 -0.001 0.000 1.131 40 R CA 1.119 57.219 56.100 0.001 0.000 0.955 40 R CB -0.079 30.210 30.300 -0.018 0.000 0.851 40 R HN 0.212 nan 8.270 nan 0.000 0.432 41 I N 0.815 121.386 120.570 0.001 0.000 2.226 41 I HA -0.273 3.897 4.170 -0.000 0.000 0.245 41 I C 2.377 178.520 176.117 0.043 0.000 1.100 41 I CA 1.010 62.317 61.300 0.012 0.000 1.374 41 I CB -0.221 37.786 38.000 0.012 0.000 1.057 41 I HN 0.135 nan 8.210 nan 0.000 0.413 42 K N 0.365 120.803 120.400 0.065 0.000 2.032 42 K HA -0.184 4.136 4.320 -0.000 0.000 0.209 42 K C 2.318 178.935 176.600 0.028 0.000 1.048 42 K CA 1.507 57.824 56.287 0.051 0.000 0.927 42 K CB -0.480 32.052 32.500 0.053 0.000 0.712 42 K HN 0.130 nan 8.250 nan 0.000 0.441 43 S N 0.796 116.509 115.700 0.021 0.000 2.402 43 S HA -0.103 4.367 4.470 -0.000 0.000 0.229 43 S C 1.773 176.377 174.600 0.007 0.000 1.021 43 S CA 0.752 58.959 58.200 0.012 0.000 0.974 43 S CB -0.092 63.113 63.200 0.008 0.000 0.800 43 S HN 0.238 nan 8.310 nan 0.000 0.484 44 L N 1.619 122.845 121.223 0.006 0.000 2.131 44 L HA 0.155 4.495 4.340 -0.000 0.000 0.206 44 L C 1.985 178.857 176.870 0.003 0.000 1.087 44 L CA 1.826 56.666 54.840 -0.000 0.000 0.767 44 L CB -0.738 41.316 42.059 -0.007 0.000 0.917 44 L HN 0.224 nan 8.230 nan 0.000 0.441 45 E N -1.004 119.203 120.200 0.013 0.000 2.110 45 E HA -0.222 4.128 4.350 -0.000 0.000 0.193 45 E C 2.124 178.730 176.600 0.010 0.000 0.988 45 E CA 1.024 57.433 56.400 0.015 0.000 0.804 45 E CB -0.007 29.710 29.700 0.027 0.000 0.745 45 E HN 0.519 nan 8.360 nan 0.000 0.458 46 Q N 0.321 120.127 119.800 0.010 0.000 1.993 46 Q HA -0.234 4.106 4.340 -0.000 0.000 0.202 46 Q C 2.217 178.218 176.000 0.002 0.000 0.984 46 Q CA 1.561 57.368 55.803 0.007 0.000 0.837 46 Q CB -0.434 28.308 28.738 0.007 0.000 0.902 46 Q HN 0.184 nan 8.270 nan 0.000 0.423 47 Q N 0.308 120.109 119.800 0.001 0.000 2.112 47 Q HA -0.115 4.225 4.340 -0.000 0.000 0.206 47 Q C 1.859 177.856 176.000 -0.004 0.000 0.987 47 Q CA 1.699 57.500 55.803 -0.003 0.000 0.858 47 Q CB -0.342 28.393 28.738 -0.005 0.000 0.905 47 Q HN 0.181 nan 8.270 nan 0.000 0.420 48 V N -1.153 118.758 119.914 -0.004 0.000 3.174 48 V HA 0.184 4.303 4.120 -0.000 0.000 0.254 48 V C 1.286 177.378 176.094 -0.003 0.000 1.120 48 V CA 1.112 63.408 62.300 -0.005 0.000 1.114 48 V CB 0.056 31.875 31.823 -0.007 0.000 0.756 48 V HN 0.674 nan 8.190 nan 0.000 0.467 49 G N 0.000 108.800 108.800 -0.000 0.000 2.141 49 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.242 49 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.242 49 G C 0.039 174.940 174.900 0.002 0.000 0.982 49 G CA 0.176 45.276 45.100 0.000 0.000 0.662 49 G HN 0.499 nan 8.290 nan 0.000 0.527 50 Q N -0.597 119.205 119.800 0.003 0.000 2.397 50 Q HA 0.596 4.936 4.340 -0.000 0.000 0.275 50 Q C -0.189 175.818 176.000 0.011 0.000 1.090 50 Q CA -0.853 54.953 55.803 0.005 0.000 0.809 50 Q CB 2.787 31.526 28.738 0.002 0.000 1.362 50 Q HN 0.180 nan 8.270 nan 0.000 0.431 51 V N 2.865 122.787 119.914 0.013 0.000 2.614 51 V HA 0.091 4.211 4.120 -0.000 0.000 0.291 51 V C 1.091 177.199 176.094 0.023 0.000 1.049 51 V CA 0.488 62.800 62.300 0.021 0.000 1.038 51 V CB 0.575 32.410 31.823 0.019 0.000 0.980 51 V HN 0.678 nan 8.190 nan 0.000 0.481 52 L N 4.621 125.863 121.223 0.033 0.000 2.717 52 L HA 0.324 4.664 4.340 -0.000 0.000 0.239 52 L C -0.292 176.602 176.870 0.040 0.000 1.086 52 L CA 0.359 55.216 54.840 0.028 0.000 0.897 52 L CB 0.898 42.969 42.059 0.019 0.000 1.214 52 L HN 0.424 nan 8.230 nan 0.000 0.508 53 V N 0.683 120.638 119.914 0.068 0.000 2.569 53 V HA 0.276 4.396 4.120 -0.000 0.000 0.301 53 V C -0.102 176.050 176.094 0.098 0.000 1.044 53 V CA -0.864 61.493 62.300 0.095 0.000 0.874 53 V CB 2.188 34.109 31.823 0.164 0.000 1.002 53 V HN -0.190 nan 8.190 nan 0.000 0.424 54 V N 5.095 125.053 119.914 0.073 0.000 2.485 54 V HA 0.156 4.276 4.120 -0.000 0.000 0.287 54 V C 1.453 177.590 176.094 0.072 0.000 1.022 54 V CA -0.158 62.174 62.300 0.054 0.000 1.067 54 V CB 0.323 32.168 31.823 0.036 0.000 0.967 54 V HN 0.841 nan 8.190 nan 0.000 0.479 55 R N 1.736 122.252 120.500 0.027 0.000 2.235 55 R HA 0.024 4.364 4.340 -0.000 0.000 0.213 55 R C 0.848 177.127 176.300 -0.035 0.000 1.059 55 R CA 0.500 56.578 56.100 -0.036 0.000 0.997 55 R CB -0.131 30.062 30.300 -0.178 0.000 0.884 55 R HN 0.839 nan 8.270 nan 0.000 0.462 56 E N 0.070 120.264 120.200 -0.010 0.000 2.416 56 E HA 0.024 4.374 4.350 -0.000 0.000 0.254 56 E C 0.683 177.289 176.600 0.010 0.000 1.241 56 E CA -0.436 55.958 56.400 -0.011 0.000 0.969 56 E CB 0.430 30.126 29.700 -0.006 0.000 0.999 56 E HN -0.183 nan 8.360 nan 0.000 0.481 57 K N -0.210 120.193 120.400 0.004 0.000 2.632 57 K HA -0.249 4.071 4.320 -0.000 0.000 0.186 57 K C -1.974 174.641 176.600 0.026 0.000 0.727 57 K CA 2.104 58.398 56.287 0.012 0.000 0.898 57 K CB -1.778 30.727 32.500 0.009 0.000 0.632 57 K HN 0.465 nan 8.250 nan 0.000 0.840 58 P HA 0.335 nan 4.420 nan 0.000 0.301 58 P C -1.152 176.180 177.300 0.054 0.000 1.337 58 P CA -0.585 62.539 63.100 0.040 0.000 0.889 58 P CB 1.595 33.313 31.700 0.031 0.000 1.050 59 C N 3.691 123.039 119.300 0.079 0.000 2.576 59 C HA 0.453 4.913 4.460 -0.000 0.000 0.401 59 C C 1.045 176.076 174.990 0.068 0.000 1.314 59 C CA -0.239 58.841 59.018 0.103 0.000 1.855 59 C CB -1.413 26.432 27.740 0.175 0.000 2.537 59 C HN 0.636 nan 8.230 nan 0.000 0.578 60 R N 2.548 123.085 120.500 0.061 0.000 2.854 60 R HA 0.824 5.164 4.340 -0.000 0.000 0.271 60 R C -0.668 175.657 176.300 0.041 0.000 0.994 60 R CA -0.639 55.486 56.100 0.042 0.000 0.945 60 R CB 1.021 31.341 30.300 0.033 0.000 1.194 60 R HN 0.595 nan 8.270 nan 0.000 0.476 61 A N 1.239 124.077 122.820 0.030 0.000 2.425 61 A HA 0.312 4.632 4.320 -0.000 0.000 0.249 61 A C 0.449 178.047 177.584 0.023 0.000 1.084 61 A CA -0.077 51.974 52.037 0.024 0.000 0.781 61 A CB 0.129 19.138 19.000 0.016 0.000 1.019 61 A HN 0.820 nan 8.150 nan 0.000 0.490 62 T N -0.343 114.225 114.554 0.022 0.000 2.754 62 T HA 0.268 4.618 4.350 -0.000 0.000 0.286 62 T C 1.328 176.034 174.700 0.010 0.000 0.997 62 T CA 0.367 62.477 62.100 0.016 0.000 0.982 62 T CB 0.366 69.244 68.868 0.016 0.000 1.027 62 T HN 0.520 nan 8.240 nan 0.000 0.529 63 T N 1.188 115.746 114.554 0.007 0.000 2.699 63 T HA -0.120 4.230 4.350 -0.000 0.000 0.268 63 T C 2.195 176.895 174.700 0.001 0.000 1.036 63 T CA 1.772 63.874 62.100 0.003 0.000 1.147 63 T CB -0.893 67.974 68.868 -0.000 0.000 0.862 63 T HN 0.817 nan 8.240 nan 0.000 0.446 64 A N 0.553 123.374 122.820 0.001 0.000 2.167 64 A HA 0.328 4.648 4.320 -0.000 0.000 0.214 64 A C 2.346 179.929 177.584 -0.003 0.000 1.151 64 A CA 1.232 53.268 52.037 -0.002 0.000 0.735 64 A CB -0.585 18.414 19.000 -0.001 0.000 0.802 64 A HN 0.514 nan 8.150 nan 0.000 0.467 65 G N -0.647 108.154 108.800 0.001 0.000 2.777 65 G HA2 0.133 4.093 3.960 -0.000 0.000 0.211 65 G HA3 0.133 4.093 3.960 -0.000 0.000 0.211 65 G C 1.192 176.090 174.900 -0.004 0.000 1.149 65 G CA 0.481 45.581 45.100 -0.000 0.000 0.785 65 G HN 0.343 nan 8.290 nan 0.000 0.536 66 I N 1.797 122.367 120.570 -0.001 0.000 2.099 66 I HA -0.082 4.088 4.170 -0.000 0.000 0.239 66 I C -0.045 176.067 176.117 -0.008 0.000 1.066 66 I CA 1.447 62.748 61.300 0.001 0.000 1.324 66 I CB -0.581 37.421 38.000 0.004 0.000 1.037 66 I HN 0.065 nan 8.210 nan 0.000 0.401 67 P HA -0.149 nan 4.420 nan 0.000 0.216 67 P C 1.878 179.151 177.300 -0.044 0.000 1.150 67 P CA 1.475 64.557 63.100 -0.030 0.000 0.837 67 P CB -0.094 31.589 31.700 -0.028 0.000 0.786 68 L N -1.997 119.204 121.223 -0.036 0.000 2.291 68 L HA -0.067 4.273 4.340 -0.000 0.000 0.214 68 L C 2.425 179.267 176.870 -0.046 0.000 1.120 68 L CA 0.784 55.597 54.840 -0.044 0.000 0.799 68 L CB -0.876 41.163 42.059 -0.033 0.000 0.925 68 L HN 0.010 nan 8.230 nan 0.000 0.446 69 L N 0.112 121.316 121.223 -0.031 0.000 2.017 69 L HA -0.228 4.112 4.340 -0.000 0.000 0.208 69 L C 2.934 179.786 176.870 -0.031 0.000 1.073 69 L CA 1.464 56.292 54.840 -0.020 0.000 0.745 69 L CB -0.398 41.662 42.059 0.002 0.000 0.894 69 L HN 0.309 nan 8.230 nan 0.000 0.432 70 R N 0.110 120.585 120.500 -0.041 0.000 2.073 70 R HA -0.236 4.104 4.340 -0.000 0.000 0.234 70 R C 2.347 178.518 176.300 -0.215 0.000 1.134 70 R CA 1.625 57.669 56.100 -0.093 0.000 0.952 70 R CB -0.385 29.868 30.300 -0.079 0.000 0.850 70 R HN 0.177 nan 8.270 nan 0.000 0.433 71 L N 0.915 122.038 121.223 -0.167 0.000 2.043 71 L HA -0.168 4.172 4.340 -0.000 0.000 0.212 71 L C 2.282 179.052 176.870 -0.167 0.000 1.075 71 L CA 2.296 57.030 54.840 -0.177 0.000 0.752 71 L CB -0.785 41.206 42.059 -0.113 0.000 0.891 71 L HN 0.317 nan 8.230 nan 0.000 0.432 72 A N -0.862 121.889 122.820 -0.116 0.000 1.933 72 A HA -0.086 4.234 4.320 -0.000 0.000 0.218 72 A C 2.390 179.916 177.584 -0.097 0.000 1.175 72 A CA 1.911 53.897 52.037 -0.085 0.000 0.628 72 A CB -1.042 17.927 19.000 -0.051 0.000 0.814 72 A HN 0.592 nan 8.150 nan 0.000 0.444 73 A N -0.921 121.824 122.820 -0.125 0.000 1.975 73 A HA -0.044 4.276 4.320 -0.000 0.000 0.215 73 A C 2.071 179.481 177.584 -0.290 0.000 1.170 73 A CA 1.168 53.158 52.037 -0.079 0.000 0.656 73 A CB -0.382 18.673 19.000 0.093 0.000 0.821 73 A HN 0.630 nan 8.150 nan 0.000 0.449 74 Q N -0.834 118.566 119.800 -0.667 0.000 2.119 74 Q HA -0.104 4.236 4.340 -0.000 0.000 0.201 74 Q C 1.999 177.819 176.000 -0.300 0.000 0.972 74 Q CA 1.723 57.035 55.803 -0.817 0.000 0.847 74 Q CB -0.442 27.755 28.738 -0.903 0.000 0.903 74 Q HN 0.556 nan 8.270 nan 0.000 0.433 75 T N 1.015 115.440 114.554 -0.216 0.000 2.746 75 T HA -0.127 4.223 4.350 -0.000 0.000 0.267 75 T C 1.910 176.579 174.700 -0.051 0.000 1.039 75 T CA 1.221 63.256 62.100 -0.108 0.000 1.142 75 T CB -0.216 68.597 68.868 -0.091 0.000 0.866 75 T HN 0.407 nan 8.240 nan 0.000 0.444 76 A N 0.774 123.571 122.820 -0.038 0.000 1.972 76 A HA 0.019 4.339 4.320 -0.000 0.000 0.219 76 A C 2.182 179.796 177.584 0.049 0.000 1.169 76 A CA 1.190 53.234 52.037 0.011 0.000 0.635 76 A CB -0.558 18.459 19.000 0.028 0.000 0.810 76 A HN 0.450 nan 8.150 nan 0.000 0.446 77 L N -0.645 120.626 121.223 0.079 0.000 2.102 77 L HA 0.084 4.424 4.340 -0.000 0.000 0.202 77 L C 2.195 179.122 176.870 0.095 0.000 1.076 77 L CA 1.294 56.218 54.840 0.141 0.000 0.761 77 L CB -0.415 41.827 42.059 0.304 0.000 0.921 77 L HN 0.346 nan 8.230 nan 0.000 0.444 78 L N -0.115 121.142 121.223 0.057 0.000 2.043 78 L HA -0.269 4.071 4.340 -0.000 0.000 0.212 78 L C 2.640 179.528 176.870 0.029 0.000 1.075 78 L CA 2.055 56.917 54.840 0.037 0.000 0.752 78 L CB -0.618 41.441 42.059 0.001 0.000 0.891 78 L HN 0.514 nan 8.230 nan 0.000 0.432 79 E N 0.135 120.347 120.200 0.019 0.000 2.051 79 E HA -0.246 4.104 4.350 -0.000 0.000 0.192 79 E C 2.202 178.817 176.600 0.025 0.000 0.991 79 E CA 1.708 58.118 56.400 0.016 0.000 0.799 79 E CB 0.012 29.717 29.700 0.008 0.000 0.748 79 E HN 0.486 nan 8.360 nan 0.000 0.449 80 S N -0.372 115.349 115.700 0.035 0.000 2.481 80 S HA -0.079 4.391 4.470 -0.000 0.000 0.231 80 S C 1.668 176.291 174.600 0.039 0.000 0.996 80 S CA 0.834 59.056 58.200 0.036 0.000 0.942 80 S CB -0.052 63.173 63.200 0.043 0.000 0.768 80 S HN 0.304 nan 8.310 nan 0.000 0.520 81 E N 1.222 121.449 120.200 0.046 0.000 2.122 81 E HA 0.151 4.501 4.350 -0.000 0.000 0.190 81 E C 2.351 178.971 176.600 0.034 0.000 0.977 81 E CA 0.714 57.141 56.400 0.045 0.000 0.820 81 E CB -0.274 29.461 29.700 0.058 0.000 0.770 81 E HN 0.687 nan 8.360 nan 0.000 0.462 82 A N 1.553 124.391 122.820 0.030 0.000 2.015 82 A HA -0.102 4.218 4.320 -0.000 0.000 0.219 82 A C 2.112 179.707 177.584 0.019 0.000 1.163 82 A CA 0.802 52.852 52.037 0.023 0.000 0.646 82 A CB -0.464 18.547 19.000 0.018 0.000 0.806 82 A HN 0.323 nan 8.150 nan 0.000 0.448 83 L N -3.501 117.734 121.223 0.019 0.000 2.607 83 L HA 0.518 4.857 4.340 -0.000 0.000 0.228 83 L C 1.665 178.544 176.870 0.016 0.000 1.123 83 L CA 0.913 55.762 54.840 0.015 0.000 0.890 83 L CB 0.202 42.269 42.059 0.013 0.000 1.103 83 L HN 0.172 nan 8.230 nan 0.000 0.468 84 A N -0.200 122.632 122.820 0.020 0.000 2.167 84 A HA 0.056 4.376 4.320 -0.000 0.000 0.208 84 A C 1.924 179.519 177.584 0.019 0.000 1.198 84 A CA 0.490 52.539 52.037 0.020 0.000 0.863 84 A CB 0.010 19.024 19.000 0.024 0.000 0.904 84 A HN 0.447 nan 8.150 nan 0.000 0.484 85 E N -0.392 119.820 120.200 0.020 0.000 2.418 85 E HA 0.006 4.356 4.350 -0.000 0.000 0.197 85 E C 1.715 178.324 176.600 0.014 0.000 1.026 85 E CA 0.899 57.310 56.400 0.018 0.000 0.862 85 E CB -0.263 29.449 29.700 0.020 0.000 0.799 85 E HN 0.632 nan 8.360 nan 0.000 0.518 86 M N -0.850 118.758 119.600 0.013 0.000 2.276 86 M HA 0.176 4.656 4.480 -0.000 0.000 0.262 86 M C 1.373 177.678 176.300 0.009 0.000 1.098 86 M CA 0.954 56.260 55.300 0.011 0.000 1.167 86 M CB -0.108 32.498 32.600 0.009 0.000 1.337 86 M HN 0.120 nan 8.290 nan 0.000 0.446 91 S N -1.391 114.315 115.700 0.010 0.000 1.616 91 S HA -0.306 4.164 4.470 -0.000 0.000 0.237 91 S C 1.236 175.841 174.600 0.007 0.000 0.811 91 S CA 2.709 60.914 58.200 0.008 0.000 1.381 91 S CB -1.984 61.220 63.200 0.006 0.000 1.728 91 S HN 1.750 nan 8.310 nan 0.000 0.522 92 L N -2.775 118.453 121.223 0.008 0.000 2.862 92 L HA 0.591 4.931 4.340 -0.000 0.000 0.169 92 L C 0.086 176.963 176.870 0.011 0.000 1.164 92 L CA -0.545 54.300 54.840 0.008 0.000 0.858 92 L CB -0.661 41.402 42.059 0.007 0.000 1.329 92 L HN -0.046 nan 8.230 nan 0.000 0.514 93 K N 2.939 123.346 120.400 0.013 0.000 3.602 93 K HA -0.149 4.171 4.320 -0.000 0.000 0.460 93 K C -0.538 176.072 176.600 0.018 0.000 1.237 93 K CA 0.873 57.170 56.287 0.016 0.000 0.976 93 K CB -0.203 32.309 32.500 0.020 0.000 1.709 93 K HN 0.302 nan 8.250 nan 0.000 0.311 94 R N 2.600 123.111 120.500 0.018 0.000 2.335 94 R HA 0.217 4.557 4.340 -0.000 0.000 0.302 94 R C -0.544 175.771 176.300 0.024 0.000 1.147 94 R CA -0.371 55.740 56.100 0.018 0.000 1.111 94 R CB 0.786 31.094 30.300 0.012 0.000 1.122 94 R HN 0.366 nan 8.270 nan 0.000 0.557 95 T N 2.546 117.119 114.554 0.031 0.000 2.856 95 T HA 0.247 4.597 4.350 -0.000 0.000 0.292 95 T C 0.412 175.137 174.700 0.041 0.000 0.980 95 T CA -0.482 61.642 62.100 0.041 0.000 1.091 95 T CB 1.138 70.036 68.868 0.050 0.000 0.936 95 T HN 0.169 nan 8.240 nan 0.000 0.503 96 R N 3.173 123.700 120.500 0.044 0.000 2.267 96 R HA 0.326 4.666 4.340 -0.000 0.000 0.319 96 R C -0.937 175.389 176.300 0.044 0.000 1.067 96 R CA -0.227 55.897 56.100 0.041 0.000 0.936 96 R CB -0.199 30.125 30.300 0.040 0.000 1.006 96 R HN 0.441 nan 8.270 nan 0.000 0.452 97 I N 4.211 124.804 120.570 0.038 0.000 2.436 97 I HA 0.293 4.463 4.170 -0.000 0.000 0.289 97 I C -0.484 175.645 176.117 0.020 0.000 1.010 97 I CA -0.438 60.876 61.300 0.024 0.000 1.098 97 I CB 2.107 40.131 38.000 0.041 0.000 1.266 97 I HN 0.646 nan 8.210 nan 0.000 0.434 98 T N 7.580 122.120 114.554 -0.024 0.000 2.779 98 T HA 0.661 5.011 4.350 -0.000 0.000 0.280 98 T C -0.018 174.655 174.700 -0.045 0.000 0.987 98 T CA -0.415 61.674 62.100 -0.019 0.000 0.966 98 T CB 1.193 70.047 68.868 -0.022 0.000 0.933 98 T HN 0.474 nan 8.240 nan 0.000 0.442 99 I N 0.087 120.665 120.570 0.013 0.000 2.582 99 I HA 0.890 5.060 4.170 -0.000 0.000 0.292 99 I C -0.349 175.754 176.117 -0.024 0.000 1.066 99 I CA -1.510 59.804 61.300 0.023 0.000 1.053 99 I CB 1.770 39.906 38.000 0.227 0.000 1.241 99 I HN 0.607 nan 8.210 nan 0.000 0.421 100 A N 5.520 128.302 122.820 -0.064 0.000 2.340 100 A HA 0.731 5.051 4.320 -0.000 0.000 0.268 100 A C -0.371 177.132 177.584 -0.136 0.000 1.100 100 A CA -0.378 51.606 52.037 -0.088 0.000 0.803 100 A CB 0.980 19.936 19.000 -0.073 0.000 1.043 100 A HN 0.664 nan 8.150 nan 0.000 0.488 101 V N 3.017 122.806 119.914 -0.209 0.000 2.655 101 V HA 0.185 4.305 4.120 -0.000 0.000 0.301 101 V C -0.163 175.788 176.094 -0.237 0.000 1.082 101 V CA -0.833 61.269 62.300 -0.329 0.000 0.899 101 V CB 1.739 33.123 31.823 -0.731 0.000 1.014 101 V HN 1.124 nan 8.190 nan 0.000 0.429 102 N N 3.604 122.202 118.700 -0.171 0.000 2.454 102 N HA 0.293 5.033 4.740 -0.000 0.000 0.254 102 N C 1.307 176.691 175.510 -0.210 0.000 1.228 102 N CA 0.192 53.146 53.050 -0.160 0.000 0.900 102 N CB 1.392 39.815 38.487 -0.106 0.000 1.089 102 N HN 0.755 nan 8.380 nan 0.000 0.449 103 A N 2.355 125.031 122.820 -0.241 0.000 1.903 103 A HA -0.292 4.028 4.320 -0.000 0.000 0.219 103 A C 1.682 179.158 177.584 -0.180 0.000 1.191 103 A CA 1.945 53.857 52.037 -0.208 0.000 0.638 103 A CB -0.709 18.094 19.000 -0.328 0.000 0.823 103 A HN 0.876 nan 8.150 nan 0.000 0.451 104 D N -0.395 119.863 120.400 -0.237 0.000 2.178 104 D HA -0.062 4.578 4.640 -0.000 0.000 0.201 104 D C 2.212 178.453 176.300 -0.099 0.000 0.980 104 D CA 1.450 55.377 54.000 -0.122 0.000 0.842 104 D CB -0.231 40.533 40.800 -0.060 0.000 0.948 104 D HN 0.424 nan 8.370 nan 0.000 0.472 105 S N 0.205 115.809 115.700 -0.160 0.000 2.395 105 S HA -0.089 4.381 4.470 -0.000 0.000 0.225 105 S C 1.773 176.063 174.600 -0.517 0.000 1.027 105 S CA 0.498 58.470 58.200 -0.379 0.000 0.965 105 S CB -0.005 62.972 63.200 -0.372 0.000 0.812 105 S HN 0.167 nan 8.310 nan 0.000 0.482 106 M N 2.367 121.756 119.600 -0.351 0.000 2.229 106 M HA 0.140 4.620 4.480 -0.000 0.000 0.264 106 M C 1.779 178.004 176.300 -0.125 0.000 1.063 106 M CA 1.238 56.382 55.300 -0.260 0.000 1.114 106 M CB -0.628 31.851 32.600 -0.203 0.000 1.387 106 M HN 0.219 nan 8.290 nan 0.000 0.420 107 A N -1.144 121.631 122.820 -0.076 0.000 2.119 107 A HA 0.063 4.383 4.320 -0.000 0.000 0.216 107 A C 1.890 179.479 177.584 0.008 0.000 1.152 107 A CA 1.530 53.572 52.037 0.008 0.000 0.708 107 A CB -0.919 18.124 19.000 0.071 0.000 0.805 107 A HN 0.649 nan 8.150 nan 0.000 0.460 108 T N -3.901 110.629 114.554 -0.040 0.000 3.274 108 T HA 0.030 4.380 4.350 -0.000 0.000 0.186 108 T C 1.772 176.491 174.700 0.033 0.000 0.799 108 T CA 0.551 62.670 62.100 0.031 0.000 1.611 108 T CB -0.778 68.152 68.868 0.102 0.000 2.155 108 T HN 0.672 nan 8.240 nan 0.000 0.427 109 W N 0.558 121.865 121.300 0.010 0.000 2.418 109 W HA 0.144 4.804 4.660 -0.000 0.000 0.292 109 W C 1.904 178.403 176.519 -0.033 0.000 1.213 109 W CA 0.001 57.336 57.345 -0.016 0.000 1.283 109 W CB -1.301 28.142 29.460 -0.028 0.000 1.119 109 W HN 0.335 nan 8.180 nan 0.000 0.542 110 F N 3.050 122.417 119.950 -0.972 0.000 2.202 110 F HA -0.248 4.279 4.527 -0.000 0.000 0.301 110 F C 2.988 178.440 175.800 -0.580 0.000 1.082 110 F CA 2.605 60.022 58.000 -0.970 0.000 1.313 110 F CB -0.541 37.774 39.000 -1.142 0.000 1.024 110 F HN -0.052 nan 8.300 nan 0.000 0.495 111 S N 0.308 115.850 115.700 -0.264 0.000 2.409 111 S HA -0.364 4.106 4.470 -0.000 0.000 0.237 111 S C 2.236 176.605 174.600 -0.384 0.000 1.060 111 S CA 1.507 59.537 58.200 -0.283 0.000 1.052 111 S CB -0.783 62.377 63.200 -0.066 0.000 0.871 111 S HN 0.518 nan 8.310 nan 0.000 0.465 112 A N 0.256 122.906 122.820 -0.284 0.000 2.070 112 A HA 0.034 4.354 4.320 -0.000 0.000 0.220 112 A C 2.224 179.625 177.584 -0.304 0.000 1.159 112 A CA 1.507 53.422 52.037 -0.205 0.000 0.656 112 A CB -0.720 18.214 19.000 -0.110 0.000 0.800 112 A HN 0.520 nan 8.150 nan 0.000 0.453 113 V N -0.997 118.561 119.914 -0.593 0.000 2.626 113 V HA -0.206 3.914 4.120 -0.000 0.000 0.252 113 V C 2.130 178.042 176.094 -0.302 0.000 1.067 113 V CA 1.583 63.524 62.300 -0.598 0.000 1.081 113 V CB -1.055 30.116 31.823 -1.086 0.000 0.686 113 V HN 0.573 nan 8.190 nan 0.000 0.468 114 F N 0.432 120.306 119.950 -0.127 0.000 2.206 114 F HA -0.052 4.475 4.527 -0.000 0.000 0.298 114 F C 2.289 178.055 175.800 -0.055 0.000 1.090 114 F CA 0.685 58.650 58.000 -0.060 0.000 1.323 114 F CB -0.962 38.025 39.000 -0.022 0.000 1.028 114 F HN 0.234 nan 8.300 nan 0.000 0.492 115 D N -0.128 120.334 120.400 0.103 0.000 2.117 115 D HA -0.095 4.545 4.640 -0.000 0.000 0.197 115 D C 2.011 178.319 176.300 0.013 0.000 0.987 115 D CA 1.543 55.572 54.000 0.049 0.000 0.829 115 D CB -0.559 40.250 40.800 0.015 0.000 0.961 115 D HN 0.312 nan 8.370 nan 0.000 0.460 116 G N 0.492 109.278 108.800 -0.024 0.000 3.882 116 G HA2 0.387 4.347 3.960 -0.000 0.000 0.283 116 G HA3 0.387 4.347 3.960 -0.000 0.000 0.283 116 G C -0.308 174.573 174.900 -0.032 0.000 1.283 116 G CA -0.244 44.833 45.100 -0.038 0.000 1.402 116 G HN 0.038 nan 8.290 nan 0.000 0.618 117 L N 0.579 121.806 121.223 0.007 0.000 2.381 117 L HA 0.907 5.247 4.340 -0.000 0.000 0.268 117 L C 0.086 176.970 176.870 0.023 0.000 0.997 117 L CA 0.057 54.910 54.840 0.021 0.000 0.818 117 L CB 2.268 44.373 42.059 0.077 0.000 1.310 117 L HN 0.326 nan 8.230 nan 0.000 0.416 118 G N 1.893 110.704 108.800 0.018 0.000 2.347 118 G HA2 0.178 4.138 3.960 -0.000 0.000 0.303 118 G HA3 0.178 4.138 3.960 -0.000 0.000 0.303 118 G C -2.152 172.757 174.900 0.014 0.000 1.481 118 G CA -0.867 44.243 45.100 0.016 0.000 0.914 118 G HN 0.428 nan 8.290 nan 0.000 0.638 119 D N 0.053 120.463 120.400 0.016 0.000 2.467 119 D HA 0.527 5.167 4.640 -0.000 0.000 0.220 119 D C -0.515 175.798 176.300 0.021 0.000 1.103 119 D CA 0.139 54.148 54.000 0.016 0.000 0.886 119 D CB 1.368 42.175 40.800 0.012 0.000 1.025 119 D HN 0.652 nan 8.370 nan 0.000 0.514 120 V N 4.336 124.265 119.914 0.024 0.000 2.932 120 V HA 0.406 4.526 4.120 -0.000 0.000 0.307 120 V C -1.250 174.861 176.094 0.028 0.000 1.147 120 V CA -0.860 61.459 62.300 0.031 0.000 0.951 120 V CB 1.995 33.842 31.823 0.041 0.000 1.031 120 V HN 0.347 nan 8.190 nan 0.000 0.426 121 L N 6.135 127.373 121.223 0.025 0.000 2.313 121 L HA 0.375 4.715 4.340 -0.000 0.000 0.282 121 L C -0.513 176.374 176.870 0.029 0.000 1.092 121 L CA -0.427 54.423 54.840 0.017 0.000 0.831 121 L CB 1.194 43.261 42.059 0.013 0.000 1.159 121 L HN 0.464 nan 8.230 nan 0.000 0.442 122 L N 4.025 125.263 121.223 0.025 0.000 2.292 122 L HA 0.327 4.666 4.340 -0.000 0.000 0.284 122 L C -0.345 176.547 176.870 0.036 0.000 1.065 122 L CA 0.111 54.984 54.840 0.055 0.000 0.806 122 L CB 1.289 43.398 42.059 0.084 0.000 1.175 122 L HN 0.469 nan 8.230 nan 0.000 0.431 123 D N 3.744 124.173 120.400 0.049 0.000 2.440 123 D HA 0.369 5.009 4.640 -0.000 0.000 0.252 123 D C -1.327 174.996 176.300 0.039 0.000 1.180 123 D CA -0.256 53.762 54.000 0.031 0.000 0.894 123 D CB 1.065 41.876 40.800 0.018 0.000 1.111 123 D HN 0.172 nan 8.370 nan 0.000 0.544 124 V N 4.649 124.591 119.914 0.045 0.000 2.472 124 V HA 0.600 4.720 4.120 -0.000 0.000 0.290 124 V C 0.184 176.272 176.094 -0.011 0.000 1.037 124 V CA -0.740 61.581 62.300 0.035 0.000 0.908 124 V CB 1.473 33.354 31.823 0.096 0.000 0.985 124 V HN 0.400 nan 8.190 nan 0.000 0.454 125 R N 4.450 124.923 120.500 -0.044 0.000 2.534 125 R HA 0.547 4.887 4.340 -0.000 0.000 0.301 125 R C -1.124 175.125 176.300 -0.085 0.000 0.961 125 R CA -0.823 55.245 56.100 -0.054 0.000 0.871 125 R CB 1.963 32.234 30.300 -0.048 0.000 1.170 125 R HN 0.450 nan 8.270 nan 0.000 0.446 126 I N 3.680 124.205 120.570 -0.075 0.000 2.291 126 I HA 0.229 4.399 4.170 -0.000 0.000 0.292 126 I C 0.206 176.276 176.117 -0.079 0.000 1.064 126 I CA 0.041 61.290 61.300 -0.085 0.000 1.269 126 I CB 0.398 38.369 38.000 -0.048 0.000 1.418 126 I HN 0.354 nan 8.210 nan 0.000 0.485 127 E N 4.327 124.481 120.200 -0.078 0.000 2.340 127 E HA 0.312 4.662 4.350 -0.000 0.000 0.273 127 E C -0.725 175.867 176.600 -0.014 0.000 0.891 127 E CA -0.702 55.677 56.400 -0.035 0.000 0.757 127 E CB 2.429 32.130 29.700 0.002 0.000 1.231 127 E HN 0.507 nan 8.360 nan 0.000 0.439 128 D N -0.053 120.383 120.400 0.061 0.000 2.398 128 D HA -0.044 4.596 4.640 -0.000 0.000 0.264 128 D C 1.066 177.368 176.300 0.003 0.000 1.263 128 D CA -0.233 53.770 54.000 0.006 0.000 1.037 128 D CB 0.527 41.336 40.800 0.014 0.000 1.101 128 D HN 0.339 nan 8.370 nan 0.000 0.551 129 Q N -0.819 118.962 119.800 -0.032 0.000 2.030 129 Q HA -0.204 4.136 4.340 -0.000 0.000 0.204 129 Q C 1.201 177.173 176.000 -0.046 0.000 0.986 129 Q CA 1.989 57.773 55.803 -0.031 0.000 0.843 129 Q CB -0.119 28.596 28.738 -0.038 0.000 0.904 129 Q HN 0.460 nan 8.270 nan 0.000 0.420 130 D N -0.707 119.636 120.400 -0.095 0.000 2.084 130 D HA -0.146 4.494 4.640 -0.000 0.000 0.196 130 D C 1.909 178.130 176.300 -0.132 0.000 0.985 130 D CA 1.040 54.951 54.000 -0.147 0.000 0.826 130 D CB -0.521 40.139 40.800 -0.234 0.000 0.978 130 D HN 0.371 nan 8.370 nan 0.000 0.456 131 H N 0.460 119.507 119.070 -0.037 0.000 2.353 131 H HA -0.099 4.457 4.556 -0.000 0.000 0.298 131 H C 2.352 177.659 175.328 -0.035 0.000 1.103 131 H CA 1.749 57.777 56.048 -0.033 0.000 1.293 131 H CB -0.344 29.398 29.762 -0.034 0.000 1.372 131 H HN 0.196 nan 8.280 nan 0.000 0.501 132 S N 0.566 116.309 115.700 0.072 0.000 2.387 132 S HA -0.005 4.465 4.470 -0.000 0.000 0.226 132 S C 2.483 177.077 174.600 -0.010 0.000 1.026 132 S CA 0.765 58.973 58.200 0.013 0.000 0.972 132 S CB -0.353 62.839 63.200 -0.014 0.000 0.814 132 S HN 0.418 nan 8.310 nan 0.000 0.477 133 A N 2.420 125.230 122.820 -0.018 0.000 1.940 133 A HA -0.083 4.237 4.320 -0.000 0.000 0.219 133 A C 2.331 179.911 177.584 -0.008 0.000 1.176 133 A CA 1.554 53.576 52.037 -0.024 0.000 0.631 133 A CB -0.814 18.164 19.000 -0.036 0.000 0.814 133 A HN 0.609 nan 8.150 nan 0.000 0.446 134 R N -0.216 120.284 120.500 0.001 0.000 2.070 134 R HA -0.081 4.259 4.340 -0.000 0.000 0.233 134 R C 1.945 178.264 176.300 0.030 0.000 1.137 134 R CA 1.713 57.822 56.100 0.015 0.000 0.945 134 R CB -0.449 29.867 30.300 0.026 0.000 0.845 134 R HN 0.530 nan 8.270 nan 0.000 0.430 135 L N 0.855 122.097 121.223 0.031 0.000 2.191 135 L HA -0.182 4.158 4.340 -0.000 0.000 0.212 135 L C 2.408 179.305 176.870 0.046 0.000 1.103 135 L CA 0.851 55.712 54.840 0.034 0.000 0.769 135 L CB -0.363 41.704 42.059 0.014 0.000 0.908 135 L HN 0.291 nan 8.230 nan 0.000 0.438 136 L N -0.708 120.533 121.223 0.029 0.000 2.023 136 L HA -0.143 4.197 4.340 -0.000 0.000 0.205 136 L C 2.873 179.822 176.870 0.132 0.000 1.073 136 L CA 1.157 56.035 54.840 0.064 0.000 0.745 136 L CB -0.468 41.593 42.059 0.003 0.000 0.900 136 L HN 0.181 nan 8.230 nan 0.000 0.435 137 R N 0.294 120.837 120.500 0.071 0.000 2.103 137 R HA -0.202 4.138 4.340 -0.000 0.000 0.242 137 R C 1.766 178.107 176.300 0.068 0.000 1.142 137 R CA 1.570 57.704 56.100 0.058 0.000 0.960 137 R CB -0.229 30.085 30.300 0.025 0.000 0.858 137 R HN 0.459 nan 8.270 nan 0.000 0.439 138 E N -0.847 119.397 120.200 0.074 0.000 2.494 138 E HA 0.034 4.383 4.350 -0.000 0.000 0.193 138 E C 0.866 177.530 176.600 0.108 0.000 1.074 138 E CA 0.313 56.754 56.400 0.068 0.000 0.867 138 E CB 0.453 30.185 29.700 0.054 0.000 0.924 138 E HN 0.572 nan 8.360 nan 0.000 0.502 139 G N 0.777 109.694 108.800 0.195 0.000 2.189 139 G HA2 -0.359 3.601 3.960 -0.000 0.000 0.267 139 G HA3 -0.359 3.601 3.960 -0.000 0.000 0.267 139 G C 1.161 176.271 174.900 0.349 0.000 0.975 139 G CA 0.561 45.871 45.100 0.349 0.000 0.644 139 G HN 0.289 nan 8.290 nan 0.000 0.537 140 V N 0.427 120.451 119.914 0.182 0.000 2.343 140 V HA 0.234 4.354 4.120 -0.000 0.000 0.247 140 V C 1.991 178.121 176.094 0.060 0.000 1.051 140 V CA 2.449 64.815 62.300 0.109 0.000 1.036 140 V CB -0.420 31.440 31.823 0.061 0.000 0.654 140 V HN 1.307 nan 8.190 nan 0.000 0.451 141 A N 0.394 123.220 122.820 0.010 0.000 2.317 141 A HA 0.622 4.942 4.320 -0.000 0.000 0.327 141 A C 0.530 177.851 177.584 -0.439 0.000 1.178 141 A CA -0.540 51.408 52.037 -0.149 0.000 0.817 141 A CB 1.048 19.970 19.000 -0.129 0.000 1.189 141 A HN 0.302 nan 8.150 nan 0.000 0.489 142 M N 1.190 120.325 119.600 -0.774 0.000 2.453 142 M HA 0.371 4.851 4.480 -0.000 0.000 0.239 142 M C 0.470 176.208 176.300 -0.938 0.000 1.151 142 M CA 0.582 54.892 55.300 -1.650 0.000 0.989 142 M CB -0.838 30.753 32.600 -1.681 0.000 1.548 142 M HN 0.921 nan 8.290 nan 0.000 0.479 143 G N 0.625 109.051 108.800 -0.622 0.000 2.384 143 G HA2 0.565 4.525 3.960 -0.000 0.000 0.300 143 G HA3 0.565 4.525 3.960 -0.000 0.000 0.300 143 G C -2.254 172.286 174.900 -0.600 0.000 1.582 143 G CA -0.238 44.412 45.100 -0.750 0.000 0.875 143 G HN 0.511 nan 8.290 nan 0.000 0.628 144 A N 0.216 122.586 122.820 -0.749 0.000 2.488 144 A HA 0.751 5.071 4.320 -0.000 0.000 0.295 144 A C -0.636 176.921 177.584 -0.045 0.000 1.045 144 A CA -0.529 51.354 52.037 -0.257 0.000 0.703 144 A CB 1.763 20.663 19.000 -0.167 0.000 1.271 144 A HN 1.750 nan 8.150 nan 0.000 0.400 145 V N 2.171 122.220 119.914 0.225 0.000 2.439 145 V HA 0.566 4.685 4.120 -0.000 0.000 0.271 145 V C 0.715 176.905 176.094 0.161 0.000 1.040 145 V CA 0.724 63.223 62.300 0.331 0.000 1.002 145 V CB 0.752 32.801 31.823 0.376 0.000 1.000 145 V HN 1.035 nan 8.190 nan 0.000 0.477 146 T N 2.110 116.778 114.554 0.189 0.000 2.883 146 T HA 0.348 4.698 4.350 -0.000 0.000 0.301 146 T C 0.821 175.646 174.700 0.208 0.000 1.158 146 T CA 0.183 62.361 62.100 0.130 0.000 1.007 146 T CB 1.983 70.890 68.868 0.065 0.000 1.186 146 T HN 0.774 nan 8.240 nan 0.000 0.499 147 T N -0.275 114.371 114.554 0.152 0.000 3.129 147 T HA 0.229 4.579 4.350 -0.000 0.000 0.251 147 T C 0.467 175.300 174.700 0.222 0.000 1.117 147 T CA 0.013 62.235 62.100 0.204 0.000 1.034 147 T CB -0.155 68.773 68.868 0.101 0.000 0.968 147 T HN 0.511 nan 8.240 nan 0.000 0.526 148 E N 1.769 122.041 120.200 0.120 0.000 2.105 148 E HA 0.289 4.639 4.350 -0.000 0.000 0.285 148 E C 1.255 177.647 176.600 -0.346 0.000 1.055 148 E CA -0.555 55.811 56.400 -0.056 0.000 0.843 148 E CB 0.814 30.477 29.700 -0.061 0.000 1.067 148 E HN 0.326 nan 8.360 nan 0.000 0.398 149 R N 3.840 123.972 120.500 -0.614 0.000 2.090 149 R HA 0.021 4.361 4.340 -0.000 0.000 0.228 149 R C -0.165 175.816 176.300 -0.531 0.000 1.110 149 R CA 0.380 55.797 56.100 -1.137 0.000 0.973 149 R CB 0.135 29.966 30.300 -0.782 0.000 0.869 149 R HN 0.409 nan 8.270 nan 0.000 0.440 150 N N 2.309 120.834 118.700 -0.293 0.000 2.483 150 N HA 0.099 4.839 4.740 -0.000 0.000 0.264 150 N C -2.521 172.900 175.510 -0.149 0.000 1.197 150 N CA -1.538 51.406 53.050 -0.178 0.000 0.927 150 N CB 0.993 39.409 38.487 -0.117 0.000 1.065 150 N HN 0.107 nan 8.380 nan 0.000 0.461 151 P HA -0.027 nan 4.420 nan 0.000 0.266 151 P C 0.059 177.320 177.300 -0.065 0.000 1.215 151 P CA -0.329 62.718 63.100 -0.088 0.000 0.763 151 P CB 0.444 32.102 31.700 -0.070 0.000 0.806 152 V N 3.389 123.269 119.914 -0.057 0.000 2.881 152 V HA 0.387 4.507 4.120 -0.000 0.000 0.303 152 V C -2.355 173.730 176.094 -0.016 0.000 1.070 152 V CA -2.347 59.932 62.300 -0.035 0.000 1.074 152 V CB -0.164 31.642 31.823 -0.029 0.000 1.012 152 V HN 0.350 nan 8.190 nan 0.000 0.482 153 P HA 0.218 nan 4.420 nan 0.000 0.258 153 P C 0.773 178.079 177.300 0.010 0.000 1.172 153 P CA 1.944 65.041 63.100 -0.006 0.000 0.762 153 P CB 0.262 31.956 31.700 -0.009 0.000 0.764 154 G N 1.717 110.518 108.800 0.002 0.000 2.147 154 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.244 154 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.244 154 G C -0.047 174.897 174.900 0.073 0.000 1.005 154 G CA -0.273 44.831 45.100 0.006 0.000 0.713 154 G HN 0.682 nan 8.290 nan 0.000 0.515 155 C N 0.092 119.424 119.300 0.053 0.000 2.535 155 C HA 0.680 5.140 4.460 -0.000 0.000 0.319 155 C C 0.702 175.695 174.990 0.005 0.000 1.171 155 C CA -1.156 57.897 59.018 0.058 0.000 1.394 155 C CB 1.423 29.178 27.740 0.026 0.000 1.990 155 C HN 0.553 nan 8.230 nan 0.000 0.466 156 R N 1.607 122.113 120.500 0.009 0.000 2.490 156 R HA 0.627 4.967 4.340 -0.000 0.000 0.278 156 R C -0.933 175.291 176.300 -0.126 0.000 1.069 156 R CA -0.334 55.728 56.100 -0.064 0.000 1.080 156 R CB 1.089 31.361 30.300 -0.046 0.000 1.030 156 R HN 0.511 nan 8.270 nan 0.000 0.491 157 V N 3.410 123.209 119.914 -0.191 0.000 2.417 157 V HA 0.228 4.348 4.120 -0.000 0.000 0.291 157 V C -0.818 175.168 176.094 -0.179 0.000 1.024 157 V CA -0.714 61.516 62.300 -0.116 0.000 0.861 157 V CB 1.366 33.138 31.823 -0.085 0.000 0.985 157 V HN 0.737 nan 8.190 nan 0.000 0.436 158 H N 5.035 124.242 119.070 0.228 0.000 2.539 158 H HA 0.482 5.037 4.556 -0.000 0.000 0.332 158 H C -2.677 172.824 175.328 0.288 0.000 1.031 158 H CA -1.953 54.253 56.048 0.263 0.000 1.206 158 H CB 1.818 31.782 29.762 0.336 0.000 1.446 158 H HN 0.438 nan 8.280 nan 0.000 0.496 159 P HA 0.069 nan 4.420 nan 0.000 0.275 159 P C 0.101 177.417 177.300 0.026 0.000 1.228 159 P CA -0.139 63.027 63.100 0.109 0.000 0.786 159 P CB 1.298 33.041 31.700 0.072 0.000 0.927 160 L N 0.962 122.115 121.223 -0.118 0.000 2.642 160 L HA 0.433 4.773 4.340 -0.000 0.000 0.233 160 L C 1.108 177.833 176.870 -0.243 0.000 1.077 160 L CA 0.450 55.192 54.840 -0.163 0.000 0.879 160 L CB -0.005 41.952 42.059 -0.171 0.000 1.151 160 L HN 0.707 nan 8.230 nan 0.000 0.495 161 G N 0.388 109.050 108.800 -0.230 0.000 2.343 161 G HA2 -0.060 3.900 3.960 -0.000 0.000 0.562 161 G HA3 -0.060 3.900 3.960 -0.000 0.000 0.562 161 G C -1.341 173.447 174.900 -0.186 0.000 1.269 161 G CA -0.870 44.117 45.100 -0.189 0.000 1.011 161 G HN 0.027 nan 8.290 nan 0.000 0.498 162 E N -0.567 119.568 120.200 -0.107 0.000 2.227 162 E HA 0.576 4.926 4.350 -0.000 0.000 0.268 162 E C -0.069 176.471 176.600 -0.100 0.000 0.907 162 E CA -0.829 55.525 56.400 -0.077 0.000 0.786 162 E CB 2.374 32.064 29.700 -0.016 0.000 1.191 162 E HN 0.628 nan 8.360 nan 0.000 0.411 163 M N 2.695 122.243 119.600 -0.087 0.000 2.209 163 M HA 0.309 4.789 4.480 -0.000 0.000 0.355 163 M C -0.549 175.610 176.300 -0.234 0.000 1.171 163 M CA -0.478 54.713 55.300 -0.182 0.000 1.069 163 M CB 0.905 33.439 32.600 -0.110 0.000 1.622 163 M HN 0.400 nan 8.290 nan 0.000 0.459 164 R N 3.488 123.725 120.500 -0.438 0.000 2.349 164 R HA 0.352 4.692 4.340 -0.000 0.000 0.299 164 R C -2.069 174.029 176.300 -0.338 0.000 1.027 164 R CA -0.242 55.642 56.100 -0.360 0.000 0.958 164 R CB 0.846 30.798 30.300 -0.580 0.000 1.047 164 R HN 0.733 nan 8.270 nan 0.000 0.468 165 Y N 4.621 124.904 120.300 -0.027 0.000 2.328 165 Y HA 0.322 4.872 4.550 -0.000 0.000 0.336 165 Y C -0.365 175.608 175.900 0.122 0.000 0.960 165 Y CA -0.710 57.428 58.100 0.062 0.000 1.134 165 Y CB 1.572 40.078 38.460 0.076 0.000 1.166 165 Y HN 0.326 nan 8.280 nan 0.000 0.464 166 L N 6.495 127.870 121.223 0.253 0.000 2.289 166 L HA 0.475 4.815 4.340 -0.000 0.000 0.285 166 L C -2.472 174.546 176.870 0.247 0.000 1.049 166 L CA -2.264 52.703 54.840 0.210 0.000 0.804 166 L CB 1.261 43.397 42.059 0.127 0.000 1.195 166 L HN 0.376 nan 8.230 nan 0.000 0.428 167 P HA 0.152 nan 4.420 nan 0.000 0.280 167 P C -0.705 176.622 177.300 0.046 0.000 1.300 167 P CA -0.160 63.061 63.100 0.202 0.000 0.785 167 P CB 0.961 32.671 31.700 0.017 0.000 0.874 168 V N 0.613 120.556 119.914 0.048 0.000 3.158 168 V HA 1.036 5.156 4.120 -0.000 0.000 0.311 168 V C -0.617 175.287 176.094 -0.315 0.000 1.181 168 V CA -1.449 60.714 62.300 -0.229 0.000 1.054 168 V CB 1.590 33.098 31.823 -0.525 0.000 1.085 168 V HN 0.634 nan 8.190 nan 0.000 0.446 169 A N 0.497 123.078 122.820 -0.399 0.000 2.544 169 A HA 0.825 5.145 4.320 -0.000 0.000 0.291 169 A C -0.408 177.192 177.584 0.027 0.000 1.055 169 A CA -0.064 51.818 52.037 -0.258 0.000 0.651 169 A CB 0.669 19.613 19.000 -0.092 0.000 1.296 169 A HN 2.320 nan 8.150 nan 0.000 0.431 170 S N -0.060 115.757 115.700 0.194 0.000 2.617 170 S HA 0.424 4.894 4.470 -0.000 0.000 0.269 170 S C 0.957 175.696 174.600 0.231 0.000 1.292 170 S CA -0.142 58.220 58.200 0.271 0.000 1.010 170 S CB 0.875 64.213 63.200 0.231 0.000 0.944 170 S HN 0.773 nan 8.310 nan 0.000 0.536 171 R N 0.955 121.554 120.500 0.165 0.000 2.081 171 R HA -0.031 4.309 4.340 -0.000 0.000 0.235 171 R C -0.892 175.481 176.300 0.122 0.000 1.131 171 R CA 1.335 57.510 56.100 0.125 0.000 0.960 171 R CB -2.115 28.233 30.300 0.080 0.000 0.856 171 R HN 0.517 nan 8.270 nan 0.000 0.436 172 P HA -0.198 nan 4.420 nan 0.000 0.215 172 P C 1.191 178.576 177.300 0.141 0.000 1.157 172 P CA 1.173 64.335 63.100 0.104 0.000 0.874 172 P CB -0.180 31.584 31.700 0.107 0.000 0.790 173 F N 0.083 120.103 119.950 0.117 0.000 2.126 173 F HA -0.216 4.311 4.527 -0.000 0.000 0.299 173 F C 1.986 177.904 175.800 0.197 0.000 1.096 173 F CA 1.403 59.523 58.000 0.201 0.000 1.255 173 F CB -0.796 38.308 39.000 0.174 0.000 0.997 173 F HN -0.294 nan 8.300 nan 0.000 0.479 174 V N 0.424 120.469 119.914 0.218 0.000 2.261 174 V HA -0.308 3.812 4.120 -0.000 0.000 0.246 174 V C 2.506 178.583 176.094 -0.028 0.000 1.047 174 V CA 1.983 64.340 62.300 0.094 0.000 1.015 174 V CB -0.790 31.104 31.823 0.118 0.000 0.642 174 V HN 0.343 nan 8.190 nan 0.000 0.446 175 Q N -0.070 119.719 119.800 -0.018 0.000 2.029 175 Q HA -0.292 4.047 4.340 -0.000 0.000 0.209 175 Q C 2.454 178.367 176.000 -0.145 0.000 0.999 175 Q CA 2.400 58.169 55.803 -0.057 0.000 0.857 175 Q CB -0.521 28.196 28.738 -0.035 0.000 0.926 175 Q HN 0.496 nan 8.270 nan 0.000 0.415 176 R N -0.336 120.019 120.500 -0.241 0.000 2.092 176 R HA -0.102 4.238 4.340 -0.000 0.000 0.231 176 R C 1.673 177.591 176.300 -0.637 0.000 1.119 176 R CA 1.720 57.540 56.100 -0.467 0.000 0.970 176 R CB -0.135 29.807 30.300 -0.596 0.000 0.864 176 R HN 0.436 nan 8.270 nan 0.000 0.440 177 H N -1.901 116.953 119.070 -0.360 0.000 3.017 177 H HA 0.285 4.841 4.556 -0.000 0.000 0.255 177 H C 0.204 175.428 175.328 -0.173 0.000 0.990 177 H CA 0.333 56.173 56.048 -0.348 0.000 1.205 177 H CB 0.909 30.248 29.762 -0.706 0.000 1.460 177 H HN 0.092 nan 8.280 nan 0.000 0.478 178 L N 1.871 123.068 121.223 -0.042 0.000 3.193 178 L HA 0.172 4.512 4.340 -0.000 0.000 0.305 178 L C 1.410 178.295 176.870 0.025 0.000 1.299 178 L CA -0.127 54.742 54.840 0.047 0.000 0.904 178 L CB 0.774 42.895 42.059 0.104 0.000 1.331 178 L HN 0.033 nan 8.230 nan 0.000 0.588 179 S N -1.687 114.008 115.700 -0.009 0.000 2.368 179 S HA -0.130 4.340 4.470 -0.000 0.000 0.225 179 S C 1.113 175.721 174.600 0.013 0.000 1.030 179 S CA 1.132 59.327 58.200 -0.008 0.000 0.999 179 S CB -0.052 63.130 63.200 -0.029 0.000 0.844 179 S HN 0.379 nan 8.310 nan 0.000 0.459 180 D N 1.805 122.218 120.400 0.021 0.000 2.325 180 D HA 0.434 5.074 4.640 -0.000 0.000 0.225 180 D C 1.121 177.454 176.300 0.055 0.000 1.096 180 D CA 0.875 54.894 54.000 0.031 0.000 0.844 180 D CB 0.206 41.019 40.800 0.023 0.000 0.925 180 D HN 0.618 nan 8.370 nan 0.000 0.513 181 G N 0.767 109.613 108.800 0.076 0.000 2.660 181 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.247 181 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.247 181 G C -0.671 174.357 174.900 0.213 0.000 1.328 181 G CA -0.835 44.336 45.100 0.119 0.000 0.884 181 G HN 0.114 nan 8.290 nan 0.000 0.531 182 F N 3.099 123.068 119.950 0.032 0.000 2.660 182 F HA 0.500 5.026 4.527 -0.000 0.000 0.342 182 F C 1.356 177.302 175.800 0.243 0.000 1.195 182 F CA -0.110 57.931 58.000 0.068 0.000 1.300 182 F CB -0.658 38.334 39.000 -0.013 0.000 1.616 182 F HN 0.507 nan 8.300 nan 0.000 0.592 183 T N 1.106 115.732 114.554 0.120 0.000 2.828 183 T HA 0.338 4.688 4.350 -0.000 0.000 0.290 183 T C 1.472 176.001 174.700 -0.284 0.000 1.019 183 T CA 0.092 62.225 62.100 0.055 0.000 1.031 183 T CB 1.539 70.420 68.868 0.022 0.000 1.001 183 T HN 0.391 nan 8.240 nan 0.000 0.531 184 A N 0.568 123.097 122.820 -0.484 0.000 2.168 184 A HA 0.279 4.599 4.320 -0.000 0.000 0.215 184 A C 2.227 179.567 177.584 -0.407 0.000 1.152 184 A CA 1.110 52.614 52.037 -0.889 0.000 0.716 184 A CB -0.767 17.754 19.000 -0.800 0.000 0.794 184 A HN 0.866 nan 8.150 nan 0.000 0.465 185 A N -0.577 122.112 122.820 -0.219 0.000 1.984 185 A HA 0.447 4.767 4.320 -0.000 0.000 0.214 185 A C 2.325 179.862 177.584 -0.078 0.000 1.173 185 A CA 1.240 53.206 52.037 -0.119 0.000 0.673 185 A CB -0.590 18.370 19.000 -0.065 0.000 0.830 185 A HN 0.801 nan 8.150 nan 0.000 0.453 186 A N -0.063 122.718 122.820 -0.066 0.000 1.930 186 A HA 0.331 4.651 4.320 -0.000 0.000 0.215 186 A C 2.346 179.958 177.584 0.046 0.000 1.176 186 A CA 1.535 53.582 52.037 0.016 0.000 0.632 186 A CB -0.766 18.274 19.000 0.068 0.000 0.819 186 A HN 0.939 nan 8.150 nan 0.000 0.445 187 A N -0.402 122.369 122.820 -0.081 0.000 2.119 187 A HA 0.339 4.659 4.320 -0.000 0.000 0.217 187 A C 2.197 179.802 177.584 0.035 0.000 1.153 187 A CA 1.435 53.461 52.037 -0.017 0.000 0.692 187 A CB -0.580 18.158 19.000 -0.437 0.000 0.799 187 A HN 0.917 nan 8.150 nan 0.000 0.458 188 A N -0.653 122.133 122.820 -0.057 0.000 2.119 188 A HA 0.064 4.384 4.320 -0.000 0.000 0.216 188 A C 1.974 179.576 177.584 0.029 0.000 1.152 188 A CA 1.290 53.312 52.037 -0.025 0.000 0.708 188 A CB -0.074 18.884 19.000 -0.071 0.000 0.805 188 A HN 0.496 nan 8.150 nan 0.000 0.460 189 K N -0.802 119.634 120.400 0.061 0.000 2.367 189 K HA 0.330 4.650 4.320 -0.000 0.000 0.198 189 K C 0.793 177.464 176.600 0.118 0.000 1.132 189 K CA 0.480 56.814 56.287 0.078 0.000 0.941 189 K CB 0.145 32.687 32.500 0.070 0.000 1.052 189 K HN 0.291 nan 8.250 nan 0.000 0.507 190 A N 3.698 126.631 122.820 0.188 0.000 2.520 190 A HA 0.170 4.490 4.320 -0.000 0.000 0.245 190 A C -2.426 175.327 177.584 0.281 0.000 1.072 190 A CA -0.858 51.311 52.037 0.220 0.000 0.761 190 A CB -0.355 18.909 19.000 0.439 0.000 1.004 190 A HN -0.047 nan 8.150 nan 0.000 0.499 191 P HA 0.153 nan 4.420 nan 0.000 0.271 191 P C -0.036 177.255 177.300 -0.014 0.000 1.220 191 P CA 0.167 63.297 63.100 0.049 0.000 0.768 191 P CB 0.972 32.694 31.700 0.037 0.000 0.848 192 S N 3.503 119.049 115.700 -0.257 0.000 2.687 192 S HA 0.611 5.081 4.470 -0.000 0.000 0.283 192 S C -0.062 174.213 174.600 -0.541 0.000 1.170 192 S CA -0.706 57.049 58.200 -0.742 0.000 1.008 192 S CB 0.561 63.219 63.200 -0.904 0.000 1.026 192 S HN 0.188 nan 8.310 nan 0.000 0.541 193 L N 0.519 121.392 121.223 -0.583 0.000 2.578 193 L HA 0.937 5.277 4.340 -0.000 0.000 0.259 193 L C 0.208 177.032 176.870 -0.076 0.000 1.082 193 L CA -1.004 53.645 54.840 -0.318 0.000 0.843 193 L CB 1.061 42.843 42.059 -0.461 0.000 1.535 193 L HN 1.054 nan 8.230 nan 0.000 0.510 194 A N -1.486 121.519 122.820 0.308 0.000 2.583 194 A HA 0.216 4.536 4.320 -0.000 0.000 0.300 194 A C -1.117 176.834 177.584 0.611 0.000 0.966 194 A CA -0.709 51.624 52.037 0.492 0.000 0.673 194 A CB -0.474 18.766 19.000 0.401 0.000 1.297 194 A HN 0.655 nan 8.150 nan 0.000 0.418 195 W N 1.342 122.732 121.300 0.149 0.000 2.436 195 W HA 0.157 4.817 4.660 -0.000 0.000 0.284 195 W C 1.168 177.756 176.519 0.115 0.000 1.225 195 W CA 2.070 59.453 57.345 0.064 0.000 1.271 195 W CB -0.010 29.358 29.460 -0.152 0.000 1.114 195 W HN 1.101 nan 8.180 nan 0.000 0.559 196 N N -4.334 114.547 118.700 0.301 0.000 3.386 196 N HA 0.056 4.796 4.740 -0.000 0.000 0.305 196 N C 0.397 175.730 175.510 -0.295 0.000 1.380 196 N CA -0.672 52.307 53.050 -0.119 0.000 0.832 196 N CB 0.254 38.705 38.487 -0.060 0.000 1.714 196 N HN -0.414 nan 8.380 nan 0.000 0.419 197 R N -0.174 120.043 120.500 -0.472 0.000 2.092 197 R HA 0.047 4.387 4.340 -0.000 0.000 0.231 197 R C 0.125 176.365 176.300 -0.101 0.000 1.119 197 R CA 1.466 57.382 56.100 -0.308 0.000 0.970 197 R CB -1.153 28.980 30.300 -0.279 0.000 0.864 197 R HN 0.664 nan 8.270 nan 0.000 0.440 198 D N 1.054 121.404 120.400 -0.083 0.000 2.348 198 D HA -0.078 4.562 4.640 -0.000 0.000 0.216 198 D C -0.036 176.240 176.300 -0.040 0.000 0.970 198 D CA 0.459 54.427 54.000 -0.053 0.000 0.889 198 D CB -0.334 40.433 40.800 -0.056 0.000 0.912 198 D HN 0.106 nan 8.370 nan 0.000 0.524 199 D N 0.123 120.514 120.400 -0.014 0.000 2.382 199 D HA 0.136 4.776 4.640 -0.000 0.000 0.259 199 D C 1.279 177.576 176.300 -0.005 0.000 1.224 199 D CA 0.135 54.122 54.000 -0.021 0.000 0.894 199 D CB 0.860 41.692 40.800 0.053 0.000 1.127 199 D HN 0.087 nan 8.370 nan 0.000 0.487 200 G N 3.144 111.915 108.800 -0.047 0.000 3.159 200 G HA2 -0.056 3.903 3.960 -0.000 0.000 0.232 200 G HA3 -0.056 3.903 3.960 -0.000 0.000 0.232 200 G C 1.363 176.247 174.900 -0.026 0.000 1.116 200 G CA -0.156 44.934 45.100 -0.018 0.000 0.767 200 G HN 0.432 nan 8.290 nan 0.000 0.547 201 L N 0.906 122.073 121.223 -0.093 0.000 1.997 201 L HA -0.161 4.179 4.340 -0.000 0.000 0.216 201 L C 2.880 179.761 176.870 0.020 0.000 1.074 201 L CA 1.777 56.539 54.840 -0.130 0.000 0.763 201 L CB -0.897 40.981 42.059 -0.300 0.000 0.890 201 L HN 0.173 nan 8.230 nan 0.000 0.434 202 Q N -0.933 118.901 119.800 0.057 0.000 2.167 202 Q HA -0.158 4.182 4.340 -0.000 0.000 0.202 202 Q C 1.902 178.052 176.000 0.251 0.000 0.970 202 Q CA 1.309 57.206 55.803 0.156 0.000 0.855 202 Q CB -0.239 28.442 28.738 -0.094 0.000 0.911 202 Q HN 0.447 nan 8.270 nan 0.000 0.438 203 D N -0.830 119.659 120.400 0.149 0.000 2.183 203 D HA -0.068 4.572 4.640 -0.000 0.000 0.203 203 D C 1.530 177.922 176.300 0.152 0.000 0.969 203 D CA 0.893 54.985 54.000 0.153 0.000 0.842 203 D CB 0.023 40.880 40.800 0.096 0.000 0.957 203 D HN 0.295 nan 8.370 nan 0.000 0.484 204 M N -0.198 119.476 119.600 0.123 0.000 2.156 204 M HA -0.042 4.438 4.480 -0.000 0.000 0.264 204 M C 0.969 177.353 176.300 0.141 0.000 1.067 204 M CA 0.278 55.640 55.300 0.104 0.000 1.131 204 M CB 0.004 32.642 32.600 0.064 0.000 1.368 204 M HN -0.010 nan 8.290 nan 0.000 0.416 205 L N -0.397 120.947 121.223 0.201 0.000 2.474 205 L HA -0.039 4.301 4.340 -0.000 0.000 0.259 205 L C 1.157 178.214 176.870 0.312 0.000 1.232 205 L CA 0.384 55.377 54.840 0.255 0.000 0.821 205 L CB 0.715 42.993 42.059 0.364 0.000 1.108 205 L HN 0.166 nan 8.230 nan 0.000 0.495 206 V N -0.814 119.298 119.914 0.331 0.000 0.508 206 V HA -0.436 3.684 4.120 -0.000 0.000 0.092 206 V C 2.235 178.525 176.094 0.326 0.000 2.282 206 V CA 1.895 64.458 62.300 0.438 0.000 3.591 206 V CB -1.333 30.730 31.823 0.400 0.000 0.878 206 V HN 0.941 nan 8.190 nan 0.000 0.919 207 R N -0.136 120.489 120.500 0.207 0.000 2.082 207 R HA -0.174 4.166 4.340 -0.000 0.000 0.234 207 R C 2.150 178.500 176.300 0.084 0.000 1.136 207 R CA 2.328 58.508 56.100 0.134 0.000 0.935 207 R CB -0.510 29.851 30.300 0.102 0.000 0.842 207 R HN 0.731 nan 8.270 nan 0.000 0.430 208 K N -0.031 120.407 120.400 0.064 0.000 2.152 208 K HA -0.117 4.203 4.320 -0.000 0.000 0.206 208 K C 1.833 178.388 176.600 -0.076 0.000 1.048 208 K CA 1.545 57.837 56.287 0.007 0.000 0.933 208 K CB -0.015 32.496 32.500 0.019 0.000 0.721 208 K HN 0.190 nan 8.250 nan 0.000 0.447 209 A N -0.581 122.157 122.820 -0.137 0.000 1.984 209 A HA 0.076 4.396 4.320 -0.000 0.000 0.214 209 A C 0.981 178.092 177.584 -0.787 0.000 1.173 209 A CA 0.638 52.370 52.037 -0.508 0.000 0.673 209 A CB 0.070 18.659 19.000 -0.685 0.000 0.830 209 A HN 0.321 nan 8.150 nan 0.000 0.453 210 F N -1.469 118.452 119.950 -0.048 0.000 2.817 210 F HA 0.291 4.818 4.527 -0.000 0.000 0.319 210 F C 0.756 176.539 175.800 -0.029 0.000 1.136 210 F CA -0.503 57.462 58.000 -0.059 0.000 1.177 210 F CB 0.370 39.313 39.000 -0.095 0.000 1.088 210 F HN 0.081 nan 8.300 nan 0.000 0.520 211 R N -0.292 120.265 120.500 0.094 0.000 3.973 211 R HA -0.268 4.072 4.340 -0.000 0.000 0.322 211 R C 0.886 177.233 176.300 0.079 0.000 1.238 211 R CA 1.408 57.547 56.100 0.065 0.000 0.937 211 R CB -1.498 28.826 30.300 0.041 0.000 1.340 211 R HN 0.470 nan 8.270 nan 0.000 0.552 212 R N -0.297 120.272 120.500 0.115 0.000 3.117 212 R HA 0.800 5.140 4.340 -0.000 0.000 0.137 212 R C -1.364 174.987 176.300 0.085 0.000 0.996 212 R CA -0.110 56.040 56.100 0.083 0.000 0.604 212 R CB 1.415 31.756 30.300 0.068 0.000 1.038 212 R HN 0.094 nan 8.270 nan 0.000 0.389 213 A N 1.349 124.204 122.820 0.059 0.000 2.534 213 A HA 0.407 4.727 4.320 -0.000 0.000 0.300 213 A C -1.610 175.986 177.584 0.020 0.000 1.054 213 A CA -0.683 51.389 52.037 0.058 0.000 0.858 213 A CB 0.987 20.019 19.000 0.054 0.000 1.333 213 A HN 0.341 nan 8.150 nan 0.000 0.391 214 I N 2.977 123.558 120.570 0.018 0.000 2.382 214 I HA 0.404 4.574 4.170 -0.000 0.000 0.286 214 I C 0.800 176.929 176.117 0.020 0.000 1.002 214 I CA -0.254 61.032 61.300 -0.024 0.000 1.135 214 I CB 1.074 39.008 38.000 -0.110 0.000 1.288 214 I HN 0.762 nan 8.210 nan 0.000 0.448 215 T N 5.409 119.970 114.554 0.010 0.000 2.884 215 T HA 0.667 5.017 4.350 -0.000 0.000 0.298 215 T C 0.152 174.862 174.700 0.015 0.000 0.998 215 T CA -0.677 61.436 62.100 0.020 0.000 1.124 215 T CB 1.351 70.228 68.868 0.016 0.000 0.931 215 T HN 0.815 nan 8.240 nan 0.000 0.531 216 R N 1.534 122.045 120.500 0.019 0.000 2.831 216 R HA 0.659 4.999 4.340 -0.000 0.000 0.266 216 R C -3.046 173.230 176.300 -0.041 0.000 1.051 216 R CA -2.200 53.908 56.100 0.014 0.000 0.943 216 R CB -0.007 30.338 30.300 0.076 0.000 1.228 216 R HN 0.398 nan 8.270 nan 0.000 0.467 217 P HA 0.056 nan 4.420 nan 0.000 0.271 217 P C -0.784 176.353 177.300 -0.271 0.000 1.226 217 P CA 0.165 63.168 63.100 -0.161 0.000 0.765 217 P CB 1.036 32.648 31.700 -0.147 0.000 0.835 218 T N 2.602 116.917 114.554 -0.399 0.000 2.937 218 T HA 0.226 4.576 4.350 -0.000 0.000 0.297 218 T C -0.486 173.699 174.700 -0.858 0.000 0.991 218 T CA -0.679 61.082 62.100 -0.565 0.000 0.990 218 T CB 0.330 68.912 68.868 -0.476 0.000 0.991 218 T HN 0.293 nan 8.240 nan 0.000 0.440 219 H N 3.737 122.465 119.070 -0.569 0.000 2.582 219 H HA 0.308 4.864 4.556 -0.000 0.000 0.345 219 H C -0.560 174.382 175.328 -0.644 0.000 1.104 219 H CA -0.133 55.611 56.048 -0.506 0.000 1.390 219 H CB 0.544 30.129 29.762 -0.295 0.000 1.461 219 H HN 0.565 nan 8.280 nan 0.000 0.551 220 F N 1.708 121.713 119.950 0.093 0.000 2.347 220 F HA 0.289 4.816 4.527 -0.000 0.000 0.366 220 F C -0.232 175.579 175.800 0.017 0.000 1.107 220 F CA -0.758 57.277 58.000 0.059 0.000 1.058 220 F CB 1.124 40.151 39.000 0.044 0.000 1.236 220 F HN 0.087 nan 8.300 nan 0.000 0.456 221 V N 4.542 124.545 119.914 0.149 0.000 2.447 221 V HA 0.416 4.536 4.120 -0.000 0.000 0.292 221 V C -2.487 173.481 176.094 -0.210 0.000 1.021 221 V CA -1.880 60.409 62.300 -0.018 0.000 0.850 221 V CB 1.605 33.375 31.823 -0.089 0.000 1.005 221 V HN 0.393 nan 8.190 nan 0.000 0.426 222 P HA 0.642 nan 4.420 nan 0.000 0.284 222 P C -0.042 176.757 177.300 -0.835 0.000 1.287 222 P CA 0.108 62.797 63.100 -0.686 0.000 0.824 222 P CB 1.208 32.788 31.700 -0.199 0.000 1.180 223 T N -3.616 110.197 114.554 -1.234 0.000 0.541 223 T HA -0.150 4.200 4.350 -0.000 0.000 0.774 223 T C 0.764 175.208 174.700 -0.427 0.000 0.992 223 T CA 0.569 62.350 62.100 -0.531 0.000 4.077 223 T CB -2.577 66.189 68.868 -0.170 0.000 2.303 223 T HN 0.431 nan 8.240 nan 0.000 0.398 224 T N 1.720 116.309 114.554 0.059 0.000 2.737 224 T HA -0.066 4.284 4.350 -0.000 0.000 0.265 224 T C 2.000 176.782 174.700 0.137 0.000 1.038 224 T CA 1.803 64.019 62.100 0.193 0.000 1.144 224 T CB -0.370 68.628 68.868 0.217 0.000 0.866 224 T HN 0.865 nan 8.240 nan 0.000 0.434 225 E N 1.406 121.649 120.200 0.071 0.000 2.072 225 E HA -0.054 4.296 4.350 -0.000 0.000 0.191 225 E C 2.533 179.149 176.600 0.028 0.000 0.985 225 E CA 1.325 57.762 56.400 0.060 0.000 0.801 225 E CB -1.114 28.605 29.700 0.033 0.000 0.750 225 E HN 0.528 nan 8.360 nan 0.000 0.452 226 G N 0.908 109.683 108.800 -0.043 0.000 2.433 226 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.216 226 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.216 226 G C 1.398 176.256 174.900 -0.069 0.000 1.186 226 G CA 0.784 45.833 45.100 -0.086 0.000 0.779 226 G HN 0.260 nan 8.290 nan 0.000 0.543 227 F N 1.797 121.570 119.950 -0.295 0.000 2.186 227 F HA -0.007 4.520 4.527 -0.000 0.000 0.299 227 F C 2.915 178.764 175.800 0.080 0.000 1.090 227 F CA 1.871 59.721 58.000 -0.250 0.000 1.307 227 F CB -0.253 38.478 39.000 -0.449 0.000 1.019 227 F HN 0.095 nan 8.300 nan 0.000 0.489 228 T N -0.017 114.724 114.554 0.312 0.000 2.812 228 T HA -0.089 4.261 4.350 -0.000 0.000 0.264 228 T C 2.230 177.063 174.700 0.222 0.000 1.042 228 T CA 1.175 63.544 62.100 0.447 0.000 1.140 228 T CB -0.646 68.470 68.868 0.413 0.000 0.870 228 T HN 0.307 nan 8.240 nan 0.000 0.445 229 A N 1.618 124.492 122.820 0.090 0.000 1.877 229 A HA 0.151 4.471 4.320 -0.000 0.000 0.216 229 A C 2.659 180.233 177.584 -0.018 0.000 1.186 229 A CA 1.865 53.916 52.037 0.023 0.000 0.620 229 A CB -1.232 17.763 19.000 -0.007 0.000 0.822 229 A HN 0.487 nan 8.150 nan 0.000 0.443 230 A N 0.040 122.811 122.820 -0.081 0.000 1.884 230 A HA -0.023 4.297 4.320 -0.000 0.000 0.219 230 A C 2.555 180.052 177.584 -0.144 0.000 1.197 230 A CA 2.889 54.820 52.037 -0.176 0.000 0.637 230 A CB -1.239 17.581 19.000 -0.299 0.000 0.827 230 A HN 1.185 nan 8.150 nan 0.000 0.450 231 A N -0.941 121.827 122.820 -0.087 0.000 1.873 231 A HA -0.129 4.191 4.320 -0.000 0.000 0.215 231 A C 2.245 179.929 177.584 0.166 0.000 1.186 231 A CA 1.516 53.531 52.037 -0.036 0.000 0.616 231 A CB -0.485 18.491 19.000 -0.040 0.000 0.823 231 A HN 0.538 nan 8.150 nan 0.000 0.442 232 R N -0.563 120.074 120.500 0.228 0.000 2.127 232 R HA -0.079 4.261 4.340 -0.000 0.000 0.238 232 R C 1.666 178.003 176.300 0.061 0.000 1.134 232 R CA 1.066 57.237 56.100 0.119 0.000 0.975 232 R CB -0.344 29.939 30.300 -0.027 0.000 0.865 232 R HN 0.459 nan 8.270 nan 0.000 0.447 233 A N 0.227 123.064 122.820 0.029 0.000 2.412 233 A HA 0.262 4.582 4.320 -0.000 0.000 0.253 233 A C 1.136 178.741 177.584 0.035 0.000 1.334 233 A CA 0.447 52.491 52.037 0.013 0.000 0.929 233 A CB -0.407 18.578 19.000 -0.024 0.000 0.983 233 A HN 0.425 nan 8.150 nan 0.000 0.508 234 G N -0.475 108.372 108.800 0.078 0.000 2.280 234 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.282 234 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.282 234 G C 0.923 175.926 174.900 0.171 0.000 1.000 234 G CA 0.795 45.999 45.100 0.173 0.000 0.751 234 G HN 0.525 nan 8.290 nan 0.000 0.515 235 L N -0.897 120.309 121.223 -0.029 0.000 2.083 235 L HA 0.231 4.571 4.340 -0.000 0.000 0.209 235 L C 1.723 178.567 176.870 -0.044 0.000 1.083 235 L CA 1.712 56.488 54.840 -0.108 0.000 0.752 235 L CB -0.262 41.546 42.059 -0.417 0.000 0.899 235 L HN 0.686 nan 8.230 nan 0.000 0.433 236 G N -2.549 106.020 108.800 -0.385 0.000 2.349 236 G HA2 0.198 4.158 3.960 -0.000 0.000 0.294 236 G HA3 0.198 4.158 3.960 -0.000 0.000 0.294 236 G C -2.017 172.277 174.900 -1.010 0.000 1.380 236 G CA -0.515 44.125 45.100 -0.767 0.000 0.811 236 G HN 0.092 nan 8.290 nan 0.000 0.519 237 W N 0.486 121.228 121.300 -0.931 0.000 2.375 237 W HA 0.814 5.474 4.660 -0.000 0.000 0.336 237 W C -0.060 176.333 176.519 -0.209 0.000 1.160 237 W CA -0.744 56.283 57.345 -0.529 0.000 1.266 237 W CB 1.227 30.488 29.460 -0.332 0.000 1.195 237 W HN 1.265 nan 8.180 nan 0.000 0.599 238 G N 2.235 111.080 108.800 0.075 0.000 2.646 238 G HA2 0.477 4.437 3.960 -0.000 0.000 0.291 238 G HA3 0.477 4.437 3.960 -0.000 0.000 0.291 238 G C -1.372 173.840 174.900 0.520 0.000 1.445 238 G CA -1.316 43.870 45.100 0.143 0.000 0.814 238 G HN 0.369 nan 8.290 nan 0.000 0.495 239 M N 0.913 120.790 119.600 0.462 0.000 2.146 239 M HA 0.452 4.932 4.480 -0.000 0.000 0.357 239 M C -1.291 175.313 176.300 0.507 0.000 1.261 239 M CA -0.013 55.569 55.300 0.468 0.000 1.106 239 M CB 0.245 33.002 32.600 0.263 0.000 1.612 239 M HN 0.326 nan 8.290 nan 0.000 0.470 240 F N 3.842 124.031 119.950 0.400 0.000 2.507 240 F HA 0.448 4.975 4.527 -0.000 0.000 0.325 240 F C -1.898 173.967 175.800 0.110 0.000 1.116 240 F CA -2.046 56.149 58.000 0.326 0.000 0.930 240 F CB 1.952 41.087 39.000 0.225 0.000 1.146 240 F HN 0.387 nan 8.300 nan 0.000 0.447 241 P HA -0.068 nan 4.420 nan 0.000 0.261 241 P C 0.649 177.916 177.300 -0.055 0.000 1.183 241 P CA 0.486 63.392 63.100 -0.325 0.000 0.761 241 P CB 0.608 32.187 31.700 -0.201 0.000 0.785 242 E N 4.386 124.498 120.200 -0.147 0.000 2.130 242 E HA -0.308 4.042 4.350 -0.000 0.000 0.196 242 E C 1.630 178.234 176.600 0.006 0.000 0.998 242 E CA 1.399 57.766 56.400 -0.055 0.000 0.806 242 E CB -0.052 29.556 29.700 -0.153 0.000 0.738 242 E HN 0.324 nan 8.360 nan 0.000 0.459 243 K N -0.128 120.264 120.400 -0.012 0.000 2.160 243 K HA -0.192 4.128 4.320 -0.000 0.000 0.206 243 K C 1.936 178.590 176.600 0.090 0.000 1.047 243 K CA 1.150 57.463 56.287 0.044 0.000 0.930 243 K CB 0.019 32.553 32.500 0.058 0.000 0.720 243 K HN 0.141 nan 8.250 nan 0.000 0.450 244 L N -0.168 121.138 121.223 0.137 0.000 2.270 244 L HA 0.069 4.409 4.340 -0.000 0.000 0.210 244 L C 2.106 179.123 176.870 0.244 0.000 1.104 244 L CA 1.381 56.354 54.840 0.221 0.000 0.804 244 L CB -0.461 41.804 42.059 0.344 0.000 0.937 244 L HN 0.158 nan 8.230 nan 0.000 0.450 245 A N -1.092 121.864 122.820 0.226 0.000 2.081 245 A HA 0.161 4.481 4.320 -0.000 0.000 0.214 245 A C 2.448 180.118 177.584 0.144 0.000 1.158 245 A CA 0.945 53.113 52.037 0.218 0.000 0.724 245 A CB -0.462 18.635 19.000 0.161 0.000 0.826 245 A HN 0.293 nan 8.150 nan 0.000 0.463 246 A N -0.298 122.582 122.820 0.101 0.000 1.927 246 A HA -0.201 4.119 4.320 -0.000 0.000 0.220 246 A C 2.460 180.074 177.584 0.050 0.000 1.185 246 A CA 2.350 54.429 52.037 0.069 0.000 0.639 246 A CB -0.933 18.102 19.000 0.059 0.000 0.820 246 A HN 0.482 nan 8.150 nan 0.000 0.451 247 S N -0.532 115.191 115.700 0.038 0.000 2.345 247 S HA -0.033 4.437 4.470 -0.000 0.000 0.219 247 S C -0.514 174.059 174.600 -0.045 0.000 1.031 247 S CA 1.313 59.513 58.200 -0.001 0.000 0.984 247 S CB -0.834 62.362 63.200 -0.007 0.000 0.874 247 S HN 0.425 nan 8.310 nan 0.000 0.451 248 P HA 0.023 nan 4.420 nan 0.000 0.230 248 P C 0.969 178.241 177.300 -0.047 0.000 1.158 248 P CA 0.495 63.455 63.100 -0.235 0.000 0.769 248 P CB 0.029 31.276 31.700 -0.756 0.000 0.807 249 L N -1.063 120.188 121.223 0.047 0.000 2.240 249 L HA 0.034 4.373 4.340 -0.000 0.000 0.211 249 L C 2.201 179.089 176.870 0.030 0.000 1.106 249 L CA 1.202 56.083 54.840 0.068 0.000 0.793 249 L CB -1.893 40.213 42.059 0.079 0.000 0.927 249 L HN -0.071 nan 8.230 nan 0.000 0.446 250 A N -0.746 122.081 122.820 0.011 0.000 1.835 250 A HA -0.141 4.179 4.320 -0.000 0.000 0.213 250 A C 1.953 179.531 177.584 -0.010 0.000 1.210 250 A CA 1.184 53.224 52.037 0.004 0.000 0.605 250 A CB -0.741 18.261 19.000 0.002 0.000 0.860 250 A HN 0.302 nan 8.150 nan 0.000 0.447 251 D N -0.905 119.476 120.400 -0.031 0.000 2.360 251 D HA -0.185 4.455 4.640 -0.000 0.000 0.192 251 D C 1.589 177.868 176.300 -0.035 0.000 1.025 251 D CA 2.433 56.404 54.000 -0.047 0.000 0.903 251 D CB -0.464 40.278 40.800 -0.096 0.000 0.900 251 D HN 0.834 nan 8.370 nan 0.000 0.452 252 G N -1.572 107.216 108.800 -0.020 0.000 2.225 252 G HA2 -0.370 3.590 3.960 -0.000 0.000 0.254 252 G HA3 -0.370 3.590 3.960 -0.000 0.000 0.254 252 G C 1.425 176.322 174.900 -0.005 0.000 0.988 252 G CA 0.970 46.070 45.100 0.000 0.000 0.625 252 G HN 0.390 nan 8.290 nan 0.000 0.527 253 S N -0.383 115.275 115.700 -0.070 0.000 2.383 253 S HA 0.157 4.626 4.470 -0.000 0.000 0.229 253 S C 0.765 175.332 174.600 -0.054 0.000 1.030 253 S CA 1.158 59.275 58.200 -0.139 0.000 1.002 253 S CB -0.063 62.948 63.200 -0.315 0.000 0.829 253 S HN 0.412 nan 8.310 nan 0.000 0.467 254 F N 0.710 120.624 119.950 -0.061 0.000 2.538 254 F HA 0.632 5.159 4.527 -0.000 0.000 0.325 254 F C -0.047 175.727 175.800 -0.043 0.000 1.066 254 F CA -2.420 55.531 58.000 -0.081 0.000 0.946 254 F CB 1.654 40.564 39.000 -0.151 0.000 1.199 254 F HN -0.137 nan 8.300 nan 0.000 0.473 255 V N 0.067 120.080 119.914 0.166 0.000 2.789 255 V HA 0.615 4.735 4.120 -0.000 0.000 0.311 255 V C -0.322 175.773 176.094 0.002 0.000 1.073 255 V CA -1.385 60.960 62.300 0.075 0.000 0.921 255 V CB 1.811 33.674 31.823 0.066 0.000 1.009 255 V HN 0.685 nan 8.190 nan 0.000 0.426 256 R N 2.310 122.807 120.500 -0.004 0.000 2.480 256 R HA 0.184 4.524 4.340 -0.000 0.000 0.303 256 R C 0.979 177.226 176.300 -0.088 0.000 0.985 256 R CA 0.047 56.121 56.100 -0.043 0.000 1.051 256 R CB 1.250 31.543 30.300 -0.011 0.000 0.935 256 R HN 0.757 nan 8.270 nan 0.000 0.410 257 V N 3.260 123.062 119.914 -0.187 0.000 2.490 257 V HA -0.198 3.922 4.120 -0.000 0.000 0.250 257 V C 0.964 176.835 176.094 -0.371 0.000 1.061 257 V CA 1.722 63.813 62.300 -0.349 0.000 1.064 257 V CB -0.449 30.956 31.823 -0.697 0.000 0.670 257 V HN 1.037 nan 8.190 nan 0.000 0.461 258 C N -3.819 115.317 119.300 -0.273 0.000 3.284 258 C HA 0.452 4.912 4.460 -0.000 0.000 0.348 258 C C 0.935 175.895 174.990 -0.049 0.000 1.448 258 C CA -0.575 58.374 59.018 -0.115 0.000 1.223 258 C CB 0.903 28.637 27.740 -0.010 0.000 1.588 258 C HN 0.172 nan 8.230 nan 0.000 0.451 259 D N 0.132 120.523 120.400 -0.017 0.000 2.347 259 D HA 0.245 4.885 4.640 -0.000 0.000 0.213 259 D C 0.799 177.087 176.300 -0.020 0.000 0.985 259 D CA 0.424 54.422 54.000 -0.005 0.000 0.879 259 D CB -0.026 40.769 40.800 -0.009 0.000 0.919 259 D HN 0.606 nan 8.370 nan 0.000 0.526 260 I N 0.345 120.890 120.570 -0.042 0.000 2.764 260 I HA 0.223 4.393 4.170 -0.000 0.000 0.294 260 I C 0.436 176.547 176.117 -0.010 0.000 1.045 260 I CA -0.550 60.690 61.300 -0.099 0.000 1.340 260 I CB 0.920 38.877 38.000 -0.071 0.000 1.436 260 I HN 0.061 nan 8.210 nan 0.000 0.567 261 H N 2.691 121.799 119.070 0.064 0.000 2.943 261 H HA 0.717 5.272 4.556 -0.000 0.000 0.323 261 H C -1.583 173.809 175.328 0.107 0.000 1.296 261 H CA -1.113 54.990 56.048 0.092 0.000 1.155 261 H CB 1.205 31.015 29.762 0.080 0.000 1.882 261 H HN 0.376 nan 8.280 nan 0.000 0.553 262 L N 1.263 122.728 121.223 0.403 0.000 2.381 262 L HA 0.358 4.698 4.340 -0.000 0.000 0.274 262 L C -1.088 175.957 176.870 0.292 0.000 0.988 262 L CA -0.853 54.171 54.840 0.308 0.000 0.824 262 L CB 1.923 44.111 42.059 0.214 0.000 1.263 262 L HN 0.703 nan 8.230 nan 0.000 0.410 263 D N 3.277 123.817 120.400 0.234 0.000 2.233 263 D HA 0.374 5.014 4.640 -0.000 0.000 0.240 263 D C -0.635 175.750 176.300 0.142 0.000 1.074 263 D CA -0.157 53.931 54.000 0.147 0.000 0.838 263 D CB 2.908 43.779 40.800 0.119 0.000 1.124 263 D HN 0.051 nan 8.370 nan 0.000 0.475 264 V N 3.657 123.660 119.914 0.148 0.000 2.376 264 V HA 0.268 4.387 4.120 -0.000 0.000 0.287 264 V C -2.350 173.787 176.094 0.072 0.000 1.015 264 V CA -1.933 60.446 62.300 0.132 0.000 0.834 264 V CB 1.611 33.551 31.823 0.196 0.000 1.001 264 V HN 0.295 nan 8.190 nan 0.000 0.428 265 P HA 0.219 nan 4.420 nan 0.000 0.267 265 P C -0.481 176.732 177.300 -0.144 0.000 1.205 265 P CA 0.277 63.318 63.100 -0.098 0.000 0.765 265 P CB 0.570 32.249 31.700 -0.034 0.000 0.828 266 L N 4.036 125.098 121.223 -0.268 0.000 2.352 266 L HA 0.515 4.855 4.340 -0.000 0.000 0.269 266 L C -0.279 176.282 176.870 -0.515 0.000 1.034 266 L CA -0.746 53.997 54.840 -0.161 0.000 0.806 266 L CB 0.811 42.888 42.059 0.030 0.000 1.244 266 L HN 0.366 nan 8.230 nan 0.000 0.447 267 Y N -0.747 119.647 120.300 0.157 0.000 2.524 267 Y HA 0.249 4.799 4.550 -0.000 0.000 0.347 267 Y C -0.870 175.204 175.900 0.289 0.000 1.005 267 Y CA -0.722 57.486 58.100 0.180 0.000 1.025 267 Y CB 1.988 40.512 38.460 0.108 0.000 1.275 267 Y HN 0.498 nan 8.280 nan 0.000 0.460 268 W N 5.732 127.206 121.300 0.291 0.000 2.283 268 W HA 0.437 5.097 4.660 -0.000 0.000 0.317 268 W C -1.603 175.086 176.519 0.284 0.000 1.042 268 W CA -0.627 56.876 57.345 0.264 0.000 1.348 268 W CB 1.080 30.670 29.460 0.216 0.000 1.216 268 W HN 0.653 nan 8.180 nan 0.000 0.404 269 Q N 5.529 125.155 119.800 -0.292 0.000 2.278 269 Q HA 0.408 4.748 4.340 -0.000 0.000 0.257 269 Q C -0.095 175.480 176.000 -0.709 0.000 0.928 269 Q CA -0.143 55.451 55.803 -0.349 0.000 0.932 269 Q CB 2.017 30.645 28.738 -0.182 0.000 1.221 269 Q HN 0.563 nan 8.270 nan 0.000 0.434 270 C N -0.186 118.855 119.300 -0.433 0.000 3.171 270 C HA 0.581 5.041 4.460 -0.000 0.000 0.308 270 C C -0.851 174.150 174.990 0.019 0.000 1.334 270 C CA -1.188 57.622 59.018 -0.346 0.000 1.473 270 C CB 0.547 28.132 27.740 -0.259 0.000 1.866 270 C HN 0.823 nan 8.230 nan 0.000 0.465 271 W N 2.250 123.523 121.300 -0.044 0.000 2.534 271 W HA 0.177 4.837 4.660 -0.000 0.000 0.340 271 W C 0.820 177.354 176.519 0.024 0.000 1.352 271 W CA 0.201 57.542 57.345 -0.007 0.000 1.305 271 W CB -0.064 29.405 29.460 0.014 0.000 1.299 271 W HN 0.839 nan 8.180 nan 0.000 0.572 272 K N 5.193 125.725 120.400 0.219 0.000 2.294 272 K HA 0.268 4.588 4.320 -0.000 0.000 0.288 272 K C -0.590 176.073 176.600 0.105 0.000 1.072 272 K CA 0.039 56.404 56.287 0.130 0.000 0.960 272 K CB -0.397 32.142 32.500 0.064 0.000 1.043 272 K HN 0.378 nan 8.250 nan 0.000 0.455 273 L N 0.299 121.599 121.223 0.129 0.000 3.170 273 L HA 0.423 4.763 4.340 -0.000 0.000 0.286 273 L C -1.738 175.200 176.870 0.113 0.000 1.006 273 L CA -1.083 53.813 54.840 0.094 0.000 0.993 273 L CB 0.631 42.734 42.059 0.075 0.000 1.549 273 L HN 0.170 nan 8.230 nan 0.000 0.387 274 D N 0.884 121.336 120.400 0.087 0.000 2.225 274 D HA 0.672 5.312 4.640 -0.000 0.000 0.248 274 D C -0.660 175.701 176.300 0.102 0.000 1.096 274 D CA 0.377 54.430 54.000 0.088 0.000 0.863 274 D CB 1.671 42.508 40.800 0.062 0.000 1.156 274 D HN 0.727 nan 8.370 nan 0.000 0.450 275 S N 2.190 117.956 115.700 0.110 0.000 2.584 275 S HA 0.286 4.756 4.470 -0.000 0.000 0.282 275 S C -2.307 172.352 174.600 0.097 0.000 1.138 275 S CA -0.962 57.306 58.200 0.113 0.000 0.987 275 S CB 1.365 64.662 63.200 0.160 0.000 1.137 275 S HN -0.018 nan 8.310 nan 0.000 0.457 276 P HA -0.046 nan 4.420 nan 0.000 0.216 276 P C 1.306 178.643 177.300 0.062 0.000 1.150 276 P CA 1.059 64.195 63.100 0.059 0.000 0.843 276 P CB 0.065 31.793 31.700 0.047 0.000 0.787 277 I N -1.553 119.062 120.570 0.075 0.000 2.202 277 I HA -0.197 3.973 4.170 -0.000 0.000 0.242 277 I C 2.080 178.250 176.117 0.088 0.000 1.091 277 I CA 1.078 62.422 61.300 0.073 0.000 1.368 277 I CB -0.681 37.367 38.000 0.081 0.000 1.058 277 I HN -0.130 nan 8.210 nan 0.000 0.410 278 I N 1.547 122.191 120.570 0.123 0.000 2.076 278 I HA -0.299 3.871 4.170 -0.000 0.000 0.237 278 I C 2.957 179.157 176.117 0.138 0.000 1.059 278 I CA 1.889 63.284 61.300 0.159 0.000 1.317 278 I CB -1.813 36.311 38.000 0.206 0.000 1.037 278 I HN 0.191 nan 8.210 nan 0.000 0.398 279 A N 0.775 123.662 122.820 0.113 0.000 1.903 279 A HA -0.303 4.017 4.320 -0.000 0.000 0.219 279 A C 2.577 180.168 177.584 0.012 0.000 1.191 279 A CA 2.469 54.548 52.037 0.069 0.000 0.638 279 A CB -0.853 18.185 19.000 0.063 0.000 0.823 279 A HN 0.464 nan 8.150 nan 0.000 0.451 280 R N -0.375 120.133 120.500 0.014 0.000 2.070 280 R HA -0.124 4.216 4.340 -0.000 0.000 0.233 280 R C 1.981 178.243 176.300 -0.063 0.000 1.137 280 R CA 1.877 57.964 56.100 -0.021 0.000 0.945 280 R CB -0.387 29.911 30.300 -0.003 0.000 0.845 280 R HN 0.474 nan 8.270 nan 0.000 0.430 281 I N 1.073 121.621 120.570 -0.036 0.000 2.151 281 I HA -0.266 3.904 4.170 -0.000 0.000 0.243 281 I C 2.142 178.091 176.117 -0.280 0.000 1.080 281 I CA 1.826 63.069 61.300 -0.096 0.000 1.339 281 I CB -1.323 36.699 38.000 0.036 0.000 1.039 281 I HN 0.331 nan 8.210 nan 0.000 0.409 282 T N 0.574 115.010 114.554 -0.197 0.000 2.720 282 T HA -0.191 4.159 4.350 -0.000 0.000 0.268 282 T C 1.551 176.001 174.700 -0.418 0.000 1.037 282 T CA 1.637 63.495 62.100 -0.403 0.000 1.144 282 T CB -0.291 68.507 68.868 -0.117 0.000 0.864 282 T HN 0.278 nan 8.240 nan 0.000 0.444 283 D N 0.714 120.967 120.400 -0.244 0.000 2.104 283 D HA -0.069 4.571 4.640 -0.000 0.000 0.194 283 D C 2.392 178.551 176.300 -0.234 0.000 0.994 283 D CA 1.265 55.145 54.000 -0.200 0.000 0.830 283 D CB -0.583 40.144 40.800 -0.123 0.000 0.959 283 D HN 0.321 nan 8.370 nan 0.000 0.452 284 T N 0.395 114.798 114.554 -0.252 0.000 2.674 284 T HA -0.093 4.257 4.350 -0.000 0.000 0.265 284 T C 2.261 176.754 174.700 -0.346 0.000 1.039 284 T CA 0.880 62.822 62.100 -0.262 0.000 1.150 284 T CB -0.410 68.313 68.868 -0.241 0.000 0.864 284 T HN -0.050 nan 8.240 nan 0.000 0.427 285 V N 1.397 121.008 119.914 -0.504 0.000 2.287 285 V HA -0.222 3.898 4.120 -0.000 0.000 0.248 285 V C 2.668 178.572 176.094 -0.317 0.000 1.053 285 V CA 1.764 63.754 62.300 -0.517 0.000 1.027 285 V CB -0.570 30.649 31.823 -1.007 0.000 0.646 285 V HN 0.361 nan 8.190 nan 0.000 0.447 286 R N -0.423 119.853 120.500 -0.374 0.000 2.105 286 R HA -0.164 4.176 4.340 -0.000 0.000 0.239 286 R C 2.335 178.500 176.300 -0.225 0.000 1.135 286 R CA 1.578 57.518 56.100 -0.266 0.000 0.967 286 R CB -0.474 29.687 30.300 -0.231 0.000 0.861 286 R HN 0.567 nan 8.270 nan 0.000 0.442 287 A N 0.438 123.139 122.820 -0.200 0.000 1.968 287 A HA 0.015 4.335 4.320 -0.000 0.000 0.217 287 A C 2.206 179.706 177.584 -0.140 0.000 1.169 287 A CA 1.264 53.208 52.037 -0.156 0.000 0.638 287 A CB -0.330 18.590 19.000 -0.134 0.000 0.812 287 A HN 0.392 nan 8.150 nan 0.000 0.446 288 A N -0.455 122.290 122.820 -0.126 0.000 2.067 288 A HA 0.287 4.607 4.320 -0.000 0.000 0.219 288 A C 2.028 179.611 177.584 -0.002 0.000 1.158 288 A CA 1.566 53.597 52.037 -0.009 0.000 0.661 288 A CB -0.502 18.509 19.000 0.018 0.000 0.801 288 A HN 1.022 nan 8.150 nan 0.000 0.452 289 A N 0.031 122.652 122.820 -0.331 0.000 2.345 289 A HA 0.309 4.628 4.320 -0.000 0.000 0.225 289 A C 1.930 179.255 177.584 -0.431 0.000 1.243 289 A CA 0.896 52.470 52.037 -0.772 0.000 0.875 289 A CB -0.636 17.625 19.000 -1.232 0.000 0.929 289 A HN 0.780 nan 8.150 nan 0.000 0.502 290 S N -0.804 114.749 115.700 -0.245 0.000 2.465 290 S HA -0.051 4.419 4.470 -0.000 0.000 0.241 290 S C 1.621 176.137 174.600 -0.139 0.000 1.000 290 S CA 1.237 59.335 58.200 -0.170 0.000 0.964 290 S CB -0.519 62.611 63.200 -0.118 0.000 0.763 290 S HN 0.621 nan 8.310 nan 0.000 0.512 291 G N 0.577 109.294 108.800 -0.137 0.000 2.985 291 G HA2 0.367 4.327 3.960 -0.000 0.000 0.209 291 G HA3 0.367 4.327 3.960 -0.000 0.000 0.209 291 G C 0.419 175.297 174.900 -0.037 0.000 1.165 291 G CA -0.428 44.634 45.100 -0.064 0.000 0.776 291 G HN 0.428 nan 8.290 nan 0.000 0.541 292 L N -0.281 120.851 121.223 -0.151 0.000 2.475 292 L HA 0.233 4.573 4.340 -0.000 0.000 0.250 292 L C 0.286 177.243 176.870 0.145 0.000 1.224 292 L CA -0.847 53.936 54.840 -0.095 0.000 0.821 292 L CB 0.343 42.224 42.059 -0.296 0.000 1.141 292 L HN 0.127 nan 8.230 nan 0.000 0.494 293 Y N 0.022 120.233 120.300 -0.149 0.000 2.359 293 Y HA -0.016 4.534 4.550 -0.000 0.000 0.330 293 Y C 1.222 177.055 175.900 -0.112 0.000 1.143 293 Y CA -0.771 57.261 58.100 -0.114 0.000 1.318 293 Y CB 0.949 39.348 38.460 -0.102 0.000 1.234 293 Y HN 0.519 nan 8.280 nan 0.000 0.522 294 R N 2.318 122.813 120.500 -0.009 0.000 2.096 294 R HA 0.012 4.352 4.340 -0.000 0.000 0.235 294 R C 1.393 177.682 176.300 -0.017 0.000 1.127 294 R CA 1.163 57.241 56.100 -0.037 0.000 0.968 294 R CB -0.801 29.464 30.300 -0.059 0.000 0.861 294 R HN 0.906 nan 8.270 nan 0.000 0.440 295 G N 0.699 109.506 108.800 0.011 0.000 2.672 295 G HA2 -0.507 3.453 3.960 -0.000 0.000 0.324 295 G HA3 -0.507 3.453 3.960 -0.000 0.000 0.324 295 G C -0.284 174.623 174.900 0.013 0.000 1.286 295 G CA 2.273 47.387 45.100 0.023 0.000 1.004 295 G HN 1.217 nan 8.290 nan 0.000 0.548 296 Q N 0.000 119.807 119.800 0.012 0.000 2.315 296 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 296 Q CA 0.000 55.818 55.803 0.025 0.000 1.022 296 Q CB 0.000 28.750 28.738 0.020 0.000 1.108 296 Q HN 0.000 nan 8.270 nan 0.000 0.481