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 2xkb_1_L DATA FIRST_RESID 2 DATA SEQUENCE VLNSNELEHI HSTNHSVNDI SIRWGVIGAG QKGNKEADLF AGYKFSNGTT DATA SEQUENCE CYPTLAVNFA ESDMMHLQNI IKEDRIHFXX XXXXXXXXXV VTDLFDPETN DATA SEQUENCE PNANGYLDKL AQELGRKFTN EEGEVIVDQF LICLGAGGGV GTGWGSLVLQ DATA SEQUENCE LIREQFFPCP VSMLISLPSG DPDEINNALV LLSEIDEFMR EQDRLFGNSD DATA SEQUENCE IKPLANVIVN DNTQMQRIIE SQXXXXXXXX XYVNWKEVAN DNVVSTLHEI DATA SEQUENCE NIIPENYGSD NVTYDPSDLI KLLSIPGRFL TIGKARIAKF DLHSLENSIK DATA SEQUENCE RSLDEGFFSA EHQFETATMY GGFVLRPSNA DFFKDVNTEN RIRNTLGEYK DATA SEQUENCE RLDEIAGKFG DPIWDNEYAV CYTIFAGMTM PKRYISLARE GKELAEKQE 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 2 V HA 0.000 nan 4.120 nan 0.000 0.244 2 V C 0.000 176.174 176.094 0.133 0.000 1.182 2 V CA 0.000 62.308 62.300 0.013 0.000 1.235 2 V CB 0.000 31.760 31.823 -0.104 0.000 1.184 3 L N 5.677 126.985 121.223 0.143 0.000 2.549 3 L HA 0.473 4.814 4.340 0.001 0.000 0.260 3 L C 0.071 177.051 176.870 0.185 0.000 1.109 3 L CA -0.294 54.691 54.840 0.241 0.000 0.900 3 L CB 1.702 43.901 42.059 0.234 0.000 1.119 3 L HN 0.693 nan 8.230 nan 0.000 0.471 4 N N 0.397 119.219 118.700 0.202 0.000 2.453 4 N HA 0.267 5.007 4.740 0.001 0.000 0.270 4 N C -0.398 175.194 175.510 0.137 0.000 1.195 4 N CA -0.228 52.899 53.050 0.129 0.000 0.902 4 N CB 0.802 39.328 38.487 0.066 0.000 1.186 4 N HN 0.450 nan 8.380 nan 0.000 0.510 5 S N -1.848 113.953 115.700 0.169 0.000 2.558 5 S HA 0.308 4.779 4.470 0.001 0.000 0.277 5 S C -0.037 174.681 174.600 0.197 0.000 1.143 5 S CA -0.954 57.343 58.200 0.161 0.000 0.865 5 S CB 0.351 63.652 63.200 0.167 0.000 1.102 5 S HN 0.060 nan 8.310 nan 0.000 0.454 6 N N 1.082 119.902 118.700 0.199 0.000 2.094 6 N HA -0.168 4.572 4.740 0.001 0.000 0.191 6 N C 1.166 176.875 175.510 0.332 0.000 1.023 6 N CA 1.862 55.063 53.050 0.251 0.000 0.857 6 N CB -0.230 38.408 38.487 0.252 0.000 1.013 6 N HN 0.696 nan 8.380 nan 0.000 0.426 7 E N 0.891 121.300 120.200 0.348 0.000 2.058 7 E HA -0.105 4.245 4.350 0.001 0.000 0.194 7 E C 1.913 178.698 176.600 0.310 0.000 0.997 7 E CA 0.785 57.417 56.400 0.386 0.000 0.801 7 E CB -0.245 29.642 29.700 0.311 0.000 0.746 7 E HN 0.354 nan 8.360 nan 0.000 0.450 8 L N 0.601 121.969 121.223 0.243 0.000 2.141 8 L HA -0.152 4.189 4.340 0.001 0.000 0.209 8 L C 2.202 179.214 176.870 0.237 0.000 1.094 8 L CA 1.094 56.056 54.840 0.204 0.000 0.763 8 L CB -0.285 41.934 42.059 0.266 0.000 0.908 8 L HN 0.174 nan 8.230 nan 0.000 0.437 9 E N -0.759 119.595 120.200 0.256 0.000 2.047 9 E HA -0.274 4.077 4.350 0.001 0.000 0.191 9 E C 2.006 178.732 176.600 0.210 0.000 0.987 9 E CA 1.393 57.932 56.400 0.231 0.000 0.799 9 E CB -0.186 29.632 29.700 0.197 0.000 0.752 9 E HN 0.539 nan 8.360 nan 0.000 0.449 10 H N 0.774 119.929 119.070 0.142 0.000 2.352 10 H HA -0.091 4.466 4.556 0.001 0.000 0.299 10 H C 2.039 177.411 175.328 0.074 0.000 1.097 10 H CA 1.682 57.769 56.048 0.064 0.000 1.311 10 H CB -0.001 29.744 29.762 -0.028 0.000 1.377 10 H HN 0.059 nan 8.280 nan 0.000 0.504 11 I N -0.143 120.614 120.570 0.312 0.000 2.142 11 I HA -0.308 3.862 4.170 0.001 0.000 0.240 11 I C 2.106 178.248 176.117 0.041 0.000 1.078 11 I CA 1.409 62.841 61.300 0.219 0.000 1.343 11 I CB -0.403 37.655 38.000 0.096 0.000 1.046 11 I HN 0.462 nan 8.210 nan 0.000 0.405 12 H N 0.246 119.388 119.070 0.120 0.000 2.495 12 H HA -0.021 4.536 4.556 0.001 0.000 0.287 12 H C 2.495 177.828 175.328 0.009 0.000 1.033 12 H CA 1.477 57.568 56.048 0.072 0.000 1.307 12 H CB -0.052 29.787 29.762 0.127 0.000 1.401 12 H HN 0.384 nan 8.280 nan 0.000 0.555 13 S N -0.813 114.940 115.700 0.088 0.000 2.496 13 S HA -0.033 4.438 4.470 0.001 0.000 0.224 13 S C 1.791 176.319 174.600 -0.120 0.000 0.996 13 S CA 0.975 59.192 58.200 0.028 0.000 0.927 13 S CB 0.047 63.246 63.200 -0.001 0.000 0.774 13 S HN 0.227 nan 8.310 nan 0.000 0.524 14 T N 1.500 115.908 114.554 -0.243 0.000 3.045 14 T HA 0.231 4.581 4.350 0.001 0.000 0.239 14 T C 0.476 174.933 174.700 -0.405 0.000 1.008 14 T CA 0.155 62.088 62.100 -0.279 0.000 1.143 14 T CB -0.399 68.328 68.868 -0.235 0.000 0.894 14 T HN 0.401 nan 8.240 nan 0.000 0.451 15 N N 1.403 119.922 118.700 -0.301 0.000 2.422 15 N HA 0.103 4.843 4.740 0.001 0.000 0.266 15 N C -0.033 175.276 175.510 -0.335 0.000 1.007 15 N CA -0.146 52.747 53.050 -0.262 0.000 0.941 15 N CB 0.435 38.873 38.487 -0.082 0.000 1.115 15 N HN 0.268 nan 8.380 nan 0.000 0.492 16 H N 1.014 120.118 119.070 0.056 0.000 2.652 16 H HA 0.245 4.802 4.556 0.001 0.000 0.274 16 H C -0.020 175.335 175.328 0.045 0.000 1.021 16 H CA 0.011 56.099 56.048 0.066 0.000 1.187 16 H CB 0.569 30.355 29.762 0.040 0.000 1.505 16 H HN 0.349 nan 8.280 nan 0.000 0.530 17 S N 1.319 117.056 115.700 0.061 0.000 2.506 17 S HA 0.151 4.622 4.470 0.001 0.000 0.245 17 S C 0.524 175.114 174.600 -0.016 0.000 1.088 17 S CA -0.235 57.969 58.200 0.008 0.000 1.099 17 S CB 0.206 63.382 63.200 -0.039 0.000 0.805 17 S HN 0.000 nan 8.310 nan 0.000 0.461 18 V N 3.514 123.473 119.914 0.074 0.000 2.276 18 V HA 0.244 4.365 4.120 0.001 0.000 0.249 18 V C 0.483 176.676 176.094 0.164 0.000 1.160 18 V CA -0.183 62.195 62.300 0.131 0.000 1.042 18 V CB -0.272 31.727 31.823 0.294 0.000 1.224 18 V HN 0.485 nan 8.190 nan 0.000 0.496 19 N N 2.068 120.714 118.700 -0.091 0.000 2.171 19 N HA 0.178 4.918 4.740 0.001 0.000 0.212 19 N C -0.213 174.694 175.510 -1.005 0.000 1.184 19 N CA 0.042 52.816 53.050 -0.460 0.000 0.888 19 N CB 1.247 39.554 38.487 -0.300 0.000 1.038 19 N HN 0.544 nan 8.380 nan 0.000 0.517 20 D N 0.260 120.357 120.400 -0.504 0.000 2.655 20 D HA 0.410 5.050 4.640 0.001 0.000 0.229 20 D C -0.848 175.473 176.300 0.035 0.000 1.229 20 D CA -0.496 53.298 54.000 -0.344 0.000 0.807 20 D CB 2.325 42.969 40.800 -0.260 0.000 1.514 20 D HN -0.070 nan 8.370 nan 0.000 0.444 21 I N -0.970 119.665 120.570 0.109 0.000 2.982 21 I HA 0.518 4.689 4.170 0.001 0.000 0.312 21 I C 1.087 177.163 176.117 -0.068 0.000 1.041 21 I CA -0.742 60.590 61.300 0.052 0.000 1.053 21 I CB 1.673 39.737 38.000 0.106 0.000 1.248 21 I HN 0.083 nan 8.210 nan 0.000 0.471 22 S N 1.555 117.176 115.700 -0.132 0.000 2.357 22 S HA 0.129 4.600 4.470 0.001 0.000 0.221 22 S C 0.535 175.014 174.600 -0.200 0.000 1.031 22 S CA 0.999 59.100 58.200 -0.165 0.000 0.982 22 S CB -0.072 63.026 63.200 -0.170 0.000 0.853 22 S HN 0.619 nan 8.310 nan 0.000 0.458 23 I N 1.196 121.579 120.570 -0.312 0.000 2.466 23 I HA 0.350 4.520 4.170 0.001 0.000 0.289 23 I C -0.999 174.880 176.117 -0.396 0.000 1.026 23 I CA -0.907 60.165 61.300 -0.379 0.000 1.078 23 I CB 1.428 39.138 38.000 -0.483 0.000 1.249 23 I HN -0.112 nan 8.210 nan 0.000 0.429 24 R N 7.490 127.875 120.500 -0.191 0.000 2.429 24 R HA 0.164 4.504 4.340 0.001 0.000 0.302 24 R C -1.070 175.240 176.300 0.018 0.000 1.268 24 R CA -0.362 55.725 56.100 -0.021 0.000 1.090 24 R CB 0.226 30.535 30.300 0.015 0.000 1.102 24 R HN 0.465 nan 8.270 nan 0.000 0.522 25 W N 1.305 122.694 121.300 0.148 0.000 2.190 25 W HA 0.202 4.862 4.660 0.001 0.000 0.330 25 W C 0.830 177.324 176.519 -0.042 0.000 1.299 25 W CA -0.681 56.623 57.345 -0.068 0.000 1.215 25 W CB 1.188 30.475 29.460 -0.288 0.000 1.147 25 W HN 0.541 nan 8.180 nan 0.000 0.563 26 G N 2.302 111.086 108.800 -0.028 0.000 2.522 26 G HA2 0.450 4.411 3.960 0.001 0.000 0.318 26 G HA3 0.450 4.411 3.960 0.001 0.000 0.318 26 G C -1.236 173.643 174.900 -0.034 0.000 1.192 26 G CA -0.525 44.538 45.100 -0.062 0.000 0.988 26 G HN 0.208 nan 8.290 nan 0.000 0.480 27 V N 4.350 124.332 119.914 0.114 0.000 2.432 27 V HA 0.327 4.448 4.120 0.001 0.000 0.271 27 V C 0.177 176.345 176.094 0.124 0.000 1.046 27 V CA -0.205 62.046 62.300 -0.081 0.000 0.945 27 V CB 0.849 32.498 31.823 -0.290 0.000 0.992 27 V HN 0.567 nan 8.190 nan 0.000 0.471 28 I N 4.323 124.912 120.570 0.032 0.000 2.389 28 I HA 0.608 4.778 4.170 0.001 0.000 0.288 28 I C 0.670 176.742 176.117 -0.075 0.000 0.999 28 I CA -0.201 61.127 61.300 0.047 0.000 1.129 28 I CB 1.833 39.864 38.000 0.053 0.000 1.288 28 I HN 0.684 nan 8.210 nan 0.000 0.444 29 G N 4.598 113.354 108.800 -0.074 0.000 2.416 29 G HA2 0.752 4.712 3.960 0.001 0.000 0.324 29 G HA3 0.752 4.712 3.960 0.001 0.000 0.324 29 G C -1.053 173.725 174.900 -0.203 0.000 1.194 29 G CA -0.455 44.582 45.100 -0.105 0.000 0.922 29 G HN 0.723 nan 8.290 nan 0.000 0.467 30 A N 1.526 124.186 122.820 -0.266 0.000 2.355 30 A HA 0.993 5.313 4.320 0.001 0.000 0.317 30 A C 0.599 178.084 177.584 -0.166 0.000 1.094 30 A CA 0.191 51.941 52.037 -0.479 0.000 0.764 30 A CB 1.099 19.499 19.000 -0.999 0.000 1.230 30 A HN 2.601 nan 8.150 nan 0.000 0.448 31 G N 0.789 109.559 108.800 -0.050 0.000 2.846 31 G HA2 -0.150 3.811 3.960 0.001 0.000 0.660 31 G HA3 -0.150 3.811 3.960 0.001 0.000 0.660 31 G C 0.498 175.419 174.900 0.036 0.000 1.464 31 G CA 0.533 45.689 45.100 0.093 0.000 0.891 31 G HN 1.185 nan 8.290 nan 0.000 0.552 32 Q N -0.073 119.752 119.800 0.041 0.000 2.030 32 Q HA -0.165 4.176 4.340 0.001 0.000 0.204 32 Q C 2.673 178.673 176.000 0.001 0.000 0.986 32 Q CA 2.207 58.021 55.803 0.019 0.000 0.843 32 Q CB -0.184 28.560 28.738 0.009 0.000 0.904 32 Q HN 0.583 nan 8.270 nan 0.000 0.420 33 K N -0.291 120.110 120.400 0.002 0.000 2.032 33 K HA -0.157 4.163 4.320 0.001 0.000 0.209 33 K C 1.946 178.546 176.600 0.000 0.000 1.048 33 K CA 1.769 58.053 56.287 -0.005 0.000 0.927 33 K CB -0.806 31.700 32.500 0.011 0.000 0.712 33 K HN 0.391 nan 8.250 nan 0.000 0.441 34 G N 0.894 109.694 108.800 -0.000 0.000 2.440 34 G HA2 -0.287 3.674 3.960 0.001 0.000 0.218 34 G HA3 -0.287 3.674 3.960 0.001 0.000 0.218 34 G C 1.364 176.255 174.900 -0.014 0.000 1.154 34 G CA 1.158 46.248 45.100 -0.017 0.000 0.767 34 G HN 0.526 nan 8.290 nan 0.000 0.552 35 N N 0.319 119.009 118.700 -0.017 0.000 2.084 35 N HA -0.080 4.661 4.740 0.001 0.000 0.190 35 N C 2.160 177.677 175.510 0.011 0.000 1.030 35 N CA 1.088 54.136 53.050 -0.003 0.000 0.849 35 N CB -0.139 38.351 38.487 0.004 0.000 1.012 35 N HN 0.249 nan 8.380 nan 0.000 0.423 36 K N 1.032 121.433 120.400 0.001 0.000 2.103 36 K HA -0.140 4.181 4.320 0.001 0.000 0.207 36 K C 1.765 178.361 176.600 -0.006 0.000 1.048 36 K CA 1.138 57.418 56.287 -0.011 0.000 0.930 36 K CB -0.029 32.450 32.500 -0.034 0.000 0.716 36 K HN 0.342 nan 8.250 nan 0.000 0.444 37 E N 0.393 120.605 120.200 0.020 0.000 2.046 37 E HA -0.137 4.213 4.350 0.001 0.000 0.190 37 E C 2.119 178.821 176.600 0.171 0.000 0.982 37 E CA 0.819 57.257 56.400 0.063 0.000 0.800 37 E CB -0.084 29.678 29.700 0.105 0.000 0.756 37 E HN 0.292 nan 8.360 nan 0.000 0.449 38 A N 1.863 124.777 122.820 0.157 0.000 1.873 38 A HA -0.299 4.022 4.320 0.001 0.000 0.218 38 A C 1.923 179.596 177.584 0.148 0.000 1.193 38 A CA 2.118 54.264 52.037 0.181 0.000 0.629 38 A CB -0.768 18.275 19.000 0.073 0.000 0.826 38 A HN 0.222 nan 8.150 nan 0.000 0.447 39 D N -0.307 120.130 120.400 0.063 0.000 2.149 39 D HA -0.175 4.466 4.640 0.001 0.000 0.194 39 D C 1.795 178.072 176.300 -0.038 0.000 1.001 39 D CA 1.573 55.583 54.000 0.016 0.000 0.849 39 D CB -0.227 40.572 40.800 -0.003 0.000 0.939 39 D HN 0.476 nan 8.370 nan 0.000 0.449 40 L N -1.040 120.132 121.223 -0.085 0.000 2.005 40 L HA -0.128 4.213 4.340 0.001 0.000 0.207 40 L C 2.416 179.063 176.870 -0.371 0.000 1.072 40 L CA 0.910 55.586 54.840 -0.272 0.000 0.744 40 L CB -0.597 41.271 42.059 -0.319 0.000 0.895 40 L HN 0.066 nan 8.230 nan 0.000 0.433 41 F N 0.181 120.062 119.950 -0.116 0.000 2.120 41 F HA -0.321 4.206 4.527 0.001 0.000 0.300 41 F C 2.616 178.492 175.800 0.126 0.000 1.095 41 F CA 1.297 59.348 58.000 0.085 0.000 1.249 41 F CB -0.550 38.481 39.000 0.052 0.000 0.995 41 F HN 0.069 nan 8.300 nan 0.000 0.480 42 A N 0.046 122.994 122.820 0.213 0.000 1.978 42 A HA -0.107 4.214 4.320 0.001 0.000 0.220 42 A C 2.465 180.060 177.584 0.018 0.000 1.170 42 A CA 1.697 53.812 52.037 0.130 0.000 0.636 42 A CB -1.532 17.515 19.000 0.079 0.000 0.810 42 A HN 0.416 nan 8.150 nan 0.000 0.448 43 G N -2.038 106.692 108.800 -0.117 0.000 2.534 43 G HA2 0.091 4.051 3.960 0.001 0.000 0.217 43 G HA3 0.091 4.051 3.960 0.001 0.000 0.217 43 G C 0.333 175.120 174.900 -0.188 0.000 1.128 43 G CA 0.048 45.036 45.100 -0.186 0.000 0.784 43 G HN 0.416 nan 8.290 nan 0.000 0.542 44 Y N 0.993 121.250 120.300 -0.070 0.000 2.442 44 Y HA 0.425 4.976 4.550 0.001 0.000 0.330 44 Y C 0.720 176.479 175.900 -0.235 0.000 1.129 44 Y CA -0.249 57.743 58.100 -0.179 0.000 1.365 44 Y CB 0.765 38.988 38.460 -0.395 0.000 1.233 44 Y HN -0.075 nan 8.280 nan 0.000 0.529 45 K N 2.975 123.353 120.400 -0.036 0.000 2.426 45 K HA 0.456 4.777 4.320 0.001 0.000 0.251 45 K C -1.034 175.472 176.600 -0.156 0.000 0.941 45 K CA -0.826 55.373 56.287 -0.147 0.000 0.808 45 K CB 1.877 34.339 32.500 -0.063 0.000 1.265 45 K HN 0.378 nan 8.250 nan 0.000 0.432 46 F N 0.226 120.188 119.950 0.019 0.000 2.435 46 F HA -0.009 4.519 4.527 0.001 0.000 0.316 46 F C 1.988 177.784 175.800 -0.007 0.000 1.220 46 F CA 0.065 58.086 58.000 0.034 0.000 1.241 46 F CB 0.850 39.860 39.000 0.017 0.000 1.234 46 F HN 0.586 nan 8.300 nan 0.000 0.569 47 S N 0.183 116.051 115.700 0.280 0.000 2.383 47 S HA -0.247 4.223 4.470 0.001 0.000 0.229 47 S C 1.313 175.983 174.600 0.116 0.000 1.030 47 S CA 1.757 60.056 58.200 0.164 0.000 1.002 47 S CB -0.687 62.630 63.200 0.194 0.000 0.829 47 S HN 0.690 nan 8.310 nan 0.000 0.467 48 N N 0.135 118.909 118.700 0.123 0.000 2.362 48 N HA 0.270 5.010 4.740 0.001 0.000 0.204 48 N C 0.912 176.470 175.510 0.081 0.000 1.166 48 N CA 0.767 53.864 53.050 0.078 0.000 0.831 48 N CB -0.029 38.486 38.487 0.047 0.000 1.008 48 N HN 0.284 nan 8.380 nan 0.000 0.472 49 G N -1.329 107.525 108.800 0.091 0.000 2.225 49 G HA2 -0.318 3.643 3.960 0.001 0.000 0.254 49 G HA3 -0.318 3.643 3.960 0.001 0.000 0.254 49 G C 0.250 175.192 174.900 0.070 0.000 0.988 49 G CA 0.512 45.647 45.100 0.057 0.000 0.625 49 G HN 0.470 nan 8.290 nan 0.000 0.527 50 T N 2.408 117.044 114.554 0.136 0.000 2.926 50 T HA 0.439 4.789 4.350 0.001 0.000 0.307 50 T C 0.852 175.607 174.700 0.092 0.000 1.059 50 T CA 0.814 63.008 62.100 0.156 0.000 1.122 50 T CB 0.977 70.001 68.868 0.261 0.000 0.972 50 T HN 0.293 nan 8.240 nan 0.000 0.545 51 T N 2.330 116.904 114.554 0.033 0.000 2.916 51 T HA 0.034 4.385 4.350 0.001 0.000 0.303 51 T C 1.467 176.055 174.700 -0.187 0.000 1.025 51 T CA -0.627 61.437 62.100 -0.062 0.000 1.142 51 T CB 0.231 69.099 68.868 0.001 0.000 0.947 51 T HN 0.798 nan 8.240 nan 0.000 0.544 52 C N 2.288 121.279 119.300 -0.515 0.000 2.486 52 C HA 0.079 4.539 4.460 0.001 0.000 0.279 52 C C 0.484 175.147 174.990 -0.545 0.000 1.302 52 C CA -0.038 58.415 59.018 -0.942 0.000 1.720 52 C CB -0.859 26.054 27.740 -1.379 0.000 2.030 52 C HN 0.770 nan 8.230 nan 0.000 0.490 53 Y N 0.563 120.918 120.300 0.093 0.000 2.326 53 Y HA 0.423 4.974 4.550 0.001 0.000 0.331 53 Y C -2.595 173.397 175.900 0.153 0.000 0.962 53 Y CA -3.502 54.703 58.100 0.176 0.000 1.167 53 Y CB -0.158 38.455 38.460 0.254 0.000 1.148 53 Y HN 0.017 nan 8.280 nan 0.000 0.463 54 P HA 0.136 nan 4.420 nan 0.000 0.267 54 P C -0.508 176.959 177.300 0.278 0.000 1.209 54 P CA 0.231 63.444 63.100 0.187 0.000 0.763 54 P CB 0.660 32.444 31.700 0.140 0.000 0.816 55 T N 4.203 118.843 114.554 0.144 0.000 2.921 55 T HA 0.507 4.857 4.350 0.001 0.000 0.297 55 T C -0.377 174.387 174.700 0.107 0.000 1.013 55 T CA -0.492 61.723 62.100 0.192 0.000 0.990 55 T CB 0.669 69.645 68.868 0.179 0.000 1.023 55 T HN 0.121 nan 8.240 nan 0.000 0.447 56 L N 2.151 123.482 121.223 0.180 0.000 2.334 56 L HA 0.876 5.217 4.340 0.001 0.000 0.273 56 L C 0.055 176.972 176.870 0.078 0.000 1.013 56 L CA -1.188 53.721 54.840 0.115 0.000 0.816 56 L CB 1.697 43.858 42.059 0.170 0.000 1.278 56 L HN 0.710 nan 8.230 nan 0.000 0.431 57 A N 2.527 125.371 122.820 0.040 0.000 2.337 57 A HA 0.826 5.147 4.320 0.001 0.000 0.329 57 A C -0.876 176.690 177.584 -0.029 0.000 1.146 57 A CA -0.485 51.550 52.037 -0.003 0.000 0.800 57 A CB 1.591 20.599 19.000 0.014 0.000 1.220 57 A HN 0.387 nan 8.150 nan 0.000 0.472 58 V N 2.803 122.635 119.914 -0.137 0.000 2.735 58 V HA 0.685 4.806 4.120 0.001 0.000 0.310 58 V C -0.321 175.660 176.094 -0.188 0.000 1.061 58 V CA -0.765 61.412 62.300 -0.205 0.000 0.913 58 V CB 1.935 33.450 31.823 -0.513 0.000 1.005 58 V HN 0.987 nan 8.190 nan 0.000 0.428 59 N N 0.658 119.347 118.700 -0.018 0.000 3.227 59 N HA 0.345 5.086 4.740 0.001 0.000 0.241 59 N C -0.050 175.494 175.510 0.057 0.000 1.480 59 N CA -0.594 52.521 53.050 0.109 0.000 0.886 59 N CB 1.689 40.253 38.487 0.129 0.000 1.406 59 N HN 0.401 nan 8.380 nan 0.000 0.514 60 F N 1.679 121.585 119.950 -0.073 0.000 1.980 60 F HA 0.219 4.746 4.527 0.001 0.000 0.297 60 F C 1.402 177.206 175.800 0.006 0.000 1.225 60 F CA 1.943 59.851 58.000 -0.153 0.000 1.176 60 F CB -0.531 38.417 39.000 -0.085 0.000 0.961 60 F HN 0.548 nan 8.300 nan 0.000 0.501 61 A N -0.301 122.807 122.820 0.480 0.000 2.286 61 A HA 0.256 4.576 4.320 0.001 0.000 0.286 61 A C 1.010 178.830 177.584 0.393 0.000 1.097 61 A CA -0.023 52.281 52.037 0.446 0.000 0.821 61 A CB 0.777 19.989 19.000 0.354 0.000 1.076 61 A HN 0.500 nan 8.150 nan 0.000 0.490 62 E N 0.809 121.206 120.200 0.329 0.000 2.152 62 E HA -0.139 4.212 4.350 0.001 0.000 0.192 62 E C 2.035 178.680 176.600 0.074 0.000 0.983 62 E CA 1.915 58.371 56.400 0.093 0.000 0.818 62 E CB -0.269 29.311 29.700 -0.199 0.000 0.758 62 E HN 0.752 nan 8.360 nan 0.000 0.467 63 S N 0.204 115.959 115.700 0.091 0.000 2.440 63 S HA -0.173 4.298 4.470 0.001 0.000 0.238 63 S C 1.116 175.773 174.600 0.096 0.000 1.010 63 S CA 1.392 59.637 58.200 0.074 0.000 0.972 63 S CB -0.451 62.797 63.200 0.081 0.000 0.774 63 S HN 0.229 nan 8.310 nan 0.000 0.501 64 D N 1.005 121.475 120.400 0.117 0.000 2.371 64 D HA 0.104 4.745 4.640 0.001 0.000 0.221 64 D C 1.105 177.466 176.300 0.103 0.000 0.986 64 D CA 0.811 54.879 54.000 0.113 0.000 0.899 64 D CB -0.115 40.761 40.800 0.126 0.000 0.902 64 D HN 0.553 nan 8.370 nan 0.000 0.530 65 M N -0.281 119.371 119.600 0.087 0.000 2.511 65 M HA 0.236 4.717 4.480 0.001 0.000 0.387 65 M C 1.235 177.549 176.300 0.024 0.000 1.112 65 M CA -0.033 55.306 55.300 0.064 0.000 0.921 65 M CB 0.644 33.286 32.600 0.071 0.000 1.501 65 M HN -0.059 nan 8.290 nan 0.000 0.538 66 M N -1.702 117.891 119.600 -0.012 0.000 2.514 66 M HA 0.126 4.606 4.480 0.001 0.000 0.258 66 M C 0.701 176.871 176.300 -0.216 0.000 1.119 66 M CA 1.344 56.565 55.300 -0.132 0.000 1.111 66 M CB -0.318 32.160 32.600 -0.205 0.000 1.390 66 M HN 0.177 nan 8.290 nan 0.000 0.475 67 H N 1.603 120.673 119.070 0.001 0.000 2.519 67 H HA 0.422 4.979 4.556 0.001 0.000 0.289 67 H C -0.237 175.085 175.328 -0.010 0.000 1.040 67 H CA 0.002 56.047 56.048 -0.006 0.000 1.165 67 H CB 0.054 29.810 29.762 -0.010 0.000 1.462 67 H HN 0.377 nan 8.280 nan 0.000 0.555 68 L N 1.627 122.885 121.223 0.058 0.000 2.260 68 L HA 0.081 4.422 4.340 0.001 0.000 0.289 68 L C 1.364 178.242 176.870 0.013 0.000 1.057 68 L CA -0.420 54.440 54.840 0.034 0.000 0.811 68 L CB 1.528 43.603 42.059 0.027 0.000 1.184 68 L HN 0.022 nan 8.230 nan 0.000 0.429 69 Q N 2.191 121.995 119.800 0.007 0.000 2.020 69 Q HA -0.087 4.253 4.340 0.001 0.000 0.198 69 Q C 0.832 176.825 176.000 -0.012 0.000 0.974 69 Q CA 1.738 57.539 55.803 -0.005 0.000 0.829 69 Q CB -0.012 28.717 28.738 -0.015 0.000 0.894 69 Q HN 0.721 nan 8.270 nan 0.000 0.433 70 N N -0.557 118.134 118.700 -0.015 0.000 2.203 70 N HA 0.237 4.978 4.740 0.001 0.000 0.207 70 N C -0.289 175.222 175.510 0.001 0.000 1.130 70 N CA -0.098 52.942 53.050 -0.015 0.000 0.861 70 N CB 0.993 39.459 38.487 -0.035 0.000 1.005 70 N HN 0.073 nan 8.380 nan 0.000 0.507 71 I N 2.014 122.588 120.570 0.006 0.000 2.330 71 I HA 0.270 4.440 4.170 0.001 0.000 0.286 71 I C -0.154 175.968 176.117 0.009 0.000 1.025 71 I CA -0.832 60.476 61.300 0.014 0.000 1.197 71 I CB 0.982 38.997 38.000 0.025 0.000 1.358 71 I HN -0.055 nan 8.210 nan 0.000 0.467 72 I N 6.843 127.417 120.570 0.006 0.000 2.919 72 I HA -0.154 4.017 4.170 0.001 0.000 0.303 72 I C 1.704 177.825 176.117 0.006 0.000 1.221 72 I CA 0.462 61.764 61.300 0.002 0.000 1.444 72 I CB 0.271 38.271 38.000 0.000 0.000 1.331 72 I HN 0.625 nan 8.210 nan 0.000 0.572 73 K N 4.548 124.949 120.400 0.002 0.000 2.127 73 K HA -0.273 4.047 4.320 0.001 0.000 0.208 73 K C 1.759 178.368 176.600 0.015 0.000 1.047 73 K CA 1.787 58.077 56.287 0.005 0.000 0.927 73 K CB -0.209 32.288 32.500 -0.005 0.000 0.716 73 K HN 0.674 nan 8.250 nan 0.000 0.450 74 E N 1.027 121.235 120.200 0.012 0.000 2.160 74 E HA -0.199 4.152 4.350 0.001 0.000 0.195 74 E C 0.695 177.309 176.600 0.024 0.000 0.991 74 E CA 1.181 57.591 56.400 0.017 0.000 0.810 74 E CB 0.144 29.848 29.700 0.008 0.000 0.742 74 E HN 0.244 nan 8.360 nan 0.000 0.466 75 D N -0.050 120.361 120.400 0.019 0.000 2.328 75 D HA 0.034 4.675 4.640 0.001 0.000 0.221 75 D C -0.196 176.129 176.300 0.041 0.000 1.072 75 D CA 0.221 54.233 54.000 0.020 0.000 0.850 75 D CB 0.116 40.918 40.800 0.003 0.000 0.922 75 D HN 0.041 nan 8.370 nan 0.000 0.516 76 R N 0.866 121.396 120.500 0.051 0.000 2.391 76 R HA 0.300 4.641 4.340 0.001 0.000 0.310 76 R C -0.389 175.981 176.300 0.116 0.000 1.174 76 R CA -0.653 55.489 56.100 0.070 0.000 1.118 76 R CB 0.568 30.902 30.300 0.057 0.000 1.134 76 R HN -0.143 nan 8.270 nan 0.000 0.524 77 I N 2.739 123.386 120.570 0.129 0.000 2.471 77 I HA 0.056 4.226 4.170 0.001 0.000 0.286 77 I C 0.561 176.852 176.117 0.289 0.000 1.079 77 I CA 0.063 61.482 61.300 0.198 0.000 1.398 77 I CB 0.223 38.333 38.000 0.184 0.000 1.403 77 I HN 0.468 nan 8.210 nan 0.000 0.530 78 H N 6.018 125.237 119.070 0.248 0.000 2.754 78 H HA 0.692 5.248 4.556 0.001 0.000 0.352 78 H C -1.304 174.340 175.328 0.526 0.000 1.213 78 H CA -0.691 55.534 56.048 0.295 0.000 1.244 78 H CB 1.241 31.110 29.762 0.178 0.000 1.843 78 H HN 0.367 nan 8.280 nan 0.000 0.587 92 V N 0.768 120.607 119.914 -0.124 0.000 3.539 92 V HA 0.023 4.143 4.120 0.001 0.000 0.262 92 V C 2.328 178.304 176.094 -0.197 0.000 1.381 92 V CA 1.824 63.967 62.300 -0.263 0.000 1.060 92 V CB 1.017 32.485 31.823 -0.591 0.000 0.842 92 V HN 0.667 nan 8.190 nan 0.000 0.445 93 T N -2.515 111.967 114.554 -0.120 0.000 3.009 93 T HA -0.098 4.252 4.350 0.001 0.000 0.258 93 T C 1.302 176.050 174.700 0.079 0.000 1.063 93 T CA 1.313 63.396 62.100 -0.028 0.000 1.139 93 T CB -0.328 68.507 68.868 -0.056 0.000 0.890 93 T HN 0.389 nan 8.240 nan 0.000 0.471 94 D N 2.092 122.517 120.400 0.041 0.000 2.172 94 D HA -0.076 4.564 4.640 0.001 0.000 0.196 94 D C 1.812 178.153 176.300 0.068 0.000 0.999 94 D CA 1.012 55.041 54.000 0.049 0.000 0.856 94 D CB -0.477 40.342 40.800 0.031 0.000 0.934 94 D HN 0.351 nan 8.370 nan 0.000 0.453 95 L N -0.852 120.420 121.223 0.080 0.000 2.362 95 L HA -0.058 4.282 4.340 0.001 0.000 0.219 95 L C 1.061 177.883 176.870 -0.081 0.000 1.134 95 L CA 0.590 55.442 54.840 0.020 0.000 0.807 95 L CB -0.172 41.857 42.059 -0.050 0.000 0.927 95 L HN 0.068 nan 8.230 nan 0.000 0.447 96 F N -1.176 118.783 119.950 0.014 0.000 2.678 96 F HA 0.170 4.698 4.527 0.001 0.000 0.305 96 F C 0.667 176.471 175.800 0.007 0.000 1.090 96 F CA -0.671 57.339 58.000 0.016 0.000 1.272 96 F CB 0.275 39.262 39.000 -0.022 0.000 1.060 96 F HN -0.087 nan 8.300 nan 0.000 0.576 97 D N 0.295 120.777 120.400 0.137 0.000 2.232 97 D HA 0.235 4.875 4.640 0.001 0.000 0.242 97 D C -1.809 174.519 176.300 0.046 0.000 1.093 97 D CA -2.282 51.768 54.000 0.083 0.000 0.845 97 D CB 1.769 42.608 40.800 0.066 0.000 1.124 97 D HN -0.190 nan 8.370 nan 0.000 0.467 98 P HA -0.145 nan 4.420 nan 0.000 0.213 98 P C 0.103 177.410 177.300 0.012 0.000 1.170 98 P CA 1.269 64.379 63.100 0.017 0.000 0.902 98 P CB 0.171 31.882 31.700 0.018 0.000 0.789 99 E N -1.605 118.605 120.200 0.017 0.000 2.365 99 E HA 0.042 4.392 4.350 0.001 0.000 0.188 99 E C 0.479 177.088 176.600 0.015 0.000 1.102 99 E CA 0.434 56.842 56.400 0.013 0.000 0.927 99 E CB -0.418 29.290 29.700 0.014 0.000 1.073 99 E HN 0.329 nan 8.360 nan 0.000 0.467 100 T N -1.196 113.368 114.554 0.018 0.000 2.954 100 T HA 0.073 4.423 4.350 0.001 0.000 0.252 100 T C 0.466 175.178 174.700 0.020 0.000 0.983 100 T CA -0.355 61.758 62.100 0.021 0.000 0.941 100 T CB 0.410 69.294 68.868 0.027 0.000 1.141 100 T HN 0.021 nan 8.240 nan 0.000 0.500 101 N N 1.270 119.978 118.700 0.014 0.000 2.701 101 N HA 0.177 4.917 4.740 0.001 0.000 0.258 101 N C -2.828 172.673 175.510 -0.015 0.000 1.262 101 N CA -1.324 51.731 53.050 0.007 0.000 0.780 101 N CB 2.098 40.600 38.487 0.025 0.000 1.380 101 N HN -0.209 nan 8.380 nan 0.000 0.548 102 P HA -0.168 nan 4.420 nan 0.000 0.218 102 P C 0.125 177.390 177.300 -0.058 0.000 1.147 102 P CA 1.532 64.614 63.100 -0.031 0.000 0.827 102 P CB -0.117 31.566 31.700 -0.028 0.000 0.778 103 N N -1.990 116.658 118.700 -0.087 0.000 2.455 103 N HA 0.332 5.072 4.740 0.001 0.000 0.258 103 N C 1.096 176.496 175.510 -0.184 0.000 1.158 103 N CA -0.038 52.921 53.050 -0.150 0.000 0.893 103 N CB -0.013 38.350 38.487 -0.206 0.000 1.173 103 N HN -0.073 nan 8.380 nan 0.000 0.503 104 A N 1.253 124.005 122.820 -0.112 0.000 1.898 104 A HA -0.198 4.123 4.320 0.001 0.000 0.216 104 A C 2.126 179.625 177.584 -0.142 0.000 1.181 104 A CA 1.303 53.266 52.037 -0.123 0.000 0.620 104 A CB -0.929 18.044 19.000 -0.044 0.000 0.819 104 A HN 0.564 nan 8.150 nan 0.000 0.442 105 N N -0.251 118.399 118.700 -0.083 0.000 2.184 105 N HA -0.152 4.589 4.740 0.001 0.000 0.190 105 N C 1.607 177.051 175.510 -0.109 0.000 1.011 105 N CA 1.776 54.791 53.050 -0.059 0.000 0.867 105 N CB -0.314 38.147 38.487 -0.044 0.000 0.993 105 N HN 0.412 nan 8.380 nan 0.000 0.433 106 G N -1.581 107.097 108.800 -0.203 0.000 2.394 106 G HA2 -0.206 3.754 3.960 0.001 0.000 0.215 106 G HA3 -0.206 3.754 3.960 0.001 0.000 0.215 106 G C 1.070 175.734 174.900 -0.393 0.000 1.165 106 G CA 0.545 45.460 45.100 -0.309 0.000 0.784 106 G HN 0.426 nan 8.290 nan 0.000 0.535 107 Y N -0.269 119.790 120.300 -0.400 0.000 2.457 107 Y HA 0.171 4.722 4.550 0.001 0.000 0.292 107 Y C 2.490 178.208 175.900 -0.304 0.000 1.125 107 Y CA 0.101 57.865 58.100 -0.560 0.000 1.254 107 Y CB 0.088 37.948 38.460 -0.999 0.000 1.012 107 Y HN 0.192 nan 8.280 nan 0.000 0.555 108 L N -0.048 121.153 121.223 -0.036 0.000 2.083 108 L HA -0.232 4.109 4.340 0.001 0.000 0.209 108 L C 1.659 178.663 176.870 0.222 0.000 1.083 108 L CA 1.819 56.792 54.840 0.222 0.000 0.752 108 L CB -0.286 41.880 42.059 0.178 0.000 0.899 108 L HN 0.069 nan 8.230 nan 0.000 0.433 109 D N -0.286 120.175 120.400 0.102 0.000 2.097 109 D HA -0.207 4.433 4.640 0.001 0.000 0.197 109 D C 2.085 178.446 176.300 0.101 0.000 0.984 109 D CA 1.283 55.336 54.000 0.089 0.000 0.826 109 D CB -0.017 40.791 40.800 0.014 0.000 0.973 109 D HN 0.322 nan 8.370 nan 0.000 0.460 110 K N 0.240 120.683 120.400 0.071 0.000 2.032 110 K HA -0.179 4.142 4.320 0.001 0.000 0.209 110 K C 2.147 178.849 176.600 0.170 0.000 1.048 110 K CA 0.897 57.237 56.287 0.088 0.000 0.927 110 K CB -0.302 32.228 32.500 0.049 0.000 0.712 110 K HN -0.006 nan 8.250 nan 0.000 0.441 111 L N 0.927 122.303 121.223 0.255 0.000 1.970 111 L HA -0.169 4.171 4.340 0.001 0.000 0.212 111 L C 2.288 179.355 176.870 0.329 0.000 1.071 111 L CA 2.304 57.340 54.840 0.327 0.000 0.751 111 L CB -0.836 41.465 42.059 0.403 0.000 0.889 111 L HN 0.291 nan 8.230 nan 0.000 0.432 112 A N -1.422 121.623 122.820 0.374 0.000 1.978 112 A HA -0.285 4.036 4.320 0.001 0.000 0.220 112 A C 2.306 179.945 177.584 0.092 0.000 1.170 112 A CA 1.996 54.161 52.037 0.214 0.000 0.636 112 A CB -0.677 18.421 19.000 0.164 0.000 0.810 112 A HN 0.695 nan 8.150 nan 0.000 0.448 113 Q N -0.772 119.094 119.800 0.109 0.000 1.994 113 Q HA -0.161 4.180 4.340 0.001 0.000 0.198 113 Q C 1.869 177.924 176.000 0.091 0.000 0.976 113 Q CA 1.297 57.146 55.803 0.076 0.000 0.828 113 Q CB -0.177 28.598 28.738 0.061 0.000 0.894 113 Q HN 0.641 nan 8.270 nan 0.000 0.432 114 E N 0.734 121.003 120.200 0.115 0.000 2.130 114 E HA -0.213 4.138 4.350 0.001 0.000 0.196 114 E C 2.130 178.816 176.600 0.143 0.000 0.998 114 E CA 0.794 57.262 56.400 0.113 0.000 0.806 114 E CB -0.249 29.532 29.700 0.135 0.000 0.738 114 E HN 0.331 nan 8.360 nan 0.000 0.459 115 L N 0.264 121.617 121.223 0.216 0.000 2.046 115 L HA -0.102 4.238 4.340 0.001 0.000 0.208 115 L C 2.397 179.460 176.870 0.323 0.000 1.077 115 L CA 1.686 56.739 54.840 0.355 0.000 0.747 115 L CB -0.492 41.719 42.059 0.253 0.000 0.896 115 L HN 0.171 nan 8.230 nan 0.000 0.432 116 G N -1.335 107.563 108.800 0.163 0.000 2.422 116 G HA2 -0.263 3.697 3.960 0.001 0.000 0.218 116 G HA3 -0.263 3.697 3.960 0.001 0.000 0.218 116 G C 1.709 176.663 174.900 0.091 0.000 1.140 116 G CA 0.488 45.662 45.100 0.122 0.000 0.775 116 G HN 0.268 nan 8.290 nan 0.000 0.545 117 R N 0.203 120.738 120.500 0.059 0.000 2.152 117 R HA -0.045 4.295 4.340 0.001 0.000 0.232 117 R C 2.235 178.506 176.300 -0.049 0.000 1.117 117 R CA 1.704 57.811 56.100 0.012 0.000 0.981 117 R CB -0.020 30.288 30.300 0.013 0.000 0.870 117 R HN 0.340 nan 8.270 nan 0.000 0.451 118 K N -1.339 118.980 120.400 -0.136 0.000 2.387 118 K HA 0.103 4.424 4.320 0.001 0.000 0.197 118 K C 0.559 176.905 176.600 -0.423 0.000 1.127 118 K CA 0.480 56.541 56.287 -0.376 0.000 0.950 118 K CB 0.406 32.500 32.500 -0.677 0.000 1.017 118 K HN 0.081 nan 8.250 nan 0.000 0.519 119 F N 1.255 121.282 119.950 0.130 0.000 2.639 119 F HA 0.259 4.786 4.527 0.001 0.000 0.302 119 F C 0.426 176.281 175.800 0.091 0.000 1.097 119 F CA -0.532 57.541 58.000 0.123 0.000 1.294 119 F CB 0.480 39.608 39.000 0.214 0.000 1.027 119 F HN -0.110 nan 8.300 nan 0.000 0.550 120 T N -3.286 111.373 114.554 0.174 0.000 2.876 120 T HA 0.380 4.730 4.350 0.001 0.000 0.277 120 T C 0.360 175.102 174.700 0.069 0.000 0.997 120 T CA -0.869 61.299 62.100 0.113 0.000 0.966 120 T CB 1.168 70.088 68.868 0.087 0.000 1.312 120 T HN -0.192 nan 8.240 nan 0.000 0.598 121 N N 0.306 119.037 118.700 0.051 0.000 2.332 121 N HA 0.225 4.966 4.740 0.001 0.000 0.285 121 N C 1.151 176.675 175.510 0.024 0.000 1.292 121 N CA -0.413 52.658 53.050 0.034 0.000 0.947 121 N CB 0.073 38.577 38.487 0.028 0.000 1.084 121 N HN 0.734 nan 8.380 nan 0.000 0.529 122 E N -0.104 120.106 120.200 0.017 0.000 2.385 122 E HA -0.033 4.317 4.350 0.001 0.000 0.194 122 E C 0.599 177.207 176.600 0.014 0.000 1.013 122 E CA 0.573 56.981 56.400 0.013 0.000 0.866 122 E CB 0.291 29.996 29.700 0.009 0.000 0.832 122 E HN 0.432 nan 8.360 nan 0.000 0.500 123 E N -0.442 119.767 120.200 0.016 0.000 2.025 123 E HA 0.196 4.546 4.350 0.001 0.000 0.198 123 E C 0.821 177.434 176.600 0.021 0.000 0.955 123 E CA 0.979 57.389 56.400 0.016 0.000 0.862 123 E CB 0.212 29.921 29.700 0.014 0.000 0.837 123 E HN 0.127 nan 8.360 nan 0.000 0.488 124 G N 0.688 109.503 108.800 0.026 0.000 3.643 124 G HA2 -0.040 3.921 3.960 0.001 0.000 0.232 124 G HA3 -0.040 3.921 3.960 0.001 0.000 0.232 124 G C -1.020 173.901 174.900 0.035 0.000 3.381 124 G CA -0.548 44.571 45.100 0.033 0.000 0.783 124 G HN 0.068 nan 8.290 nan 0.000 0.357 125 E N 0.891 121.114 120.200 0.038 0.000 2.242 125 E HA 0.539 4.889 4.350 0.001 0.000 0.275 125 E C -0.218 176.418 176.600 0.060 0.000 1.002 125 E CA -0.592 55.832 56.400 0.040 0.000 0.841 125 E CB 1.885 31.603 29.700 0.030 0.000 1.109 125 E HN -0.001 nan 8.360 nan 0.000 0.394 126 V N 6.096 126.048 119.914 0.063 0.000 2.470 126 V HA 0.017 4.138 4.120 0.001 0.000 0.276 126 V C 1.137 177.270 176.094 0.065 0.000 1.040 126 V CA 0.204 62.555 62.300 0.085 0.000 1.008 126 V CB 0.359 32.232 31.823 0.082 0.000 0.990 126 V HN 0.636 nan 8.190 nan 0.000 0.477 127 I N 2.980 123.605 120.570 0.091 0.000 3.810 127 I HA 0.373 4.543 4.170 0.001 0.000 0.322 127 I C -0.003 176.150 176.117 0.059 0.000 1.288 127 I CA 0.269 61.614 61.300 0.075 0.000 1.143 127 I CB 0.277 38.332 38.000 0.092 0.000 1.012 127 I HN 0.309 nan 8.210 nan 0.000 0.423 128 V N 1.288 121.204 119.914 0.002 0.000 2.789 128 V HA 0.276 4.397 4.120 0.001 0.000 0.311 128 V C 0.056 176.058 176.094 -0.153 0.000 1.073 128 V CA -0.463 61.778 62.300 -0.098 0.000 0.921 128 V CB 2.257 33.920 31.823 -0.267 0.000 1.009 128 V HN 0.106 nan 8.190 nan 0.000 0.426 129 D N 1.955 122.274 120.400 -0.134 0.000 2.162 129 D HA 0.034 4.675 4.640 0.001 0.000 0.205 129 D C 0.619 176.850 176.300 -0.116 0.000 0.964 129 D CA 0.945 54.879 54.000 -0.110 0.000 0.847 129 D CB 0.596 41.333 40.800 -0.106 0.000 0.988 129 D HN 0.780 nan 8.370 nan 0.000 0.480 130 Q N -1.076 118.638 119.800 -0.143 0.000 2.472 130 Q HA 0.381 4.721 4.340 0.001 0.000 0.281 130 Q C -1.622 174.266 176.000 -0.187 0.000 0.997 130 Q CA -0.799 54.949 55.803 -0.093 0.000 0.828 130 Q CB 0.976 29.744 28.738 0.050 0.000 1.443 130 Q HN -0.203 nan 8.270 nan 0.000 0.390 131 F N 1.172 121.040 119.950 -0.136 0.000 2.394 131 F HA 0.457 4.985 4.527 0.001 0.000 0.340 131 F C -0.318 175.303 175.800 -0.298 0.000 1.105 131 F CA -0.808 57.029 58.000 -0.271 0.000 1.124 131 F CB 1.367 40.110 39.000 -0.430 0.000 1.145 131 F HN 0.471 nan 8.300 nan 0.000 0.505 132 L N 5.634 126.722 121.223 -0.225 0.000 2.295 132 L HA 0.528 4.869 4.340 0.001 0.000 0.281 132 L C -0.824 175.841 176.870 -0.342 0.000 1.018 132 L CA -0.198 54.367 54.840 -0.458 0.000 0.841 132 L CB 0.240 41.712 42.059 -0.979 0.000 1.218 132 L HN 0.416 nan 8.230 nan 0.000 0.424 133 I N 4.261 124.667 120.570 -0.273 0.000 2.336 133 I HA 0.341 4.511 4.170 0.001 0.000 0.292 133 I C -0.568 175.444 176.117 -0.176 0.000 0.991 133 I CA -0.476 60.697 61.300 -0.213 0.000 1.227 133 I CB 1.284 39.154 38.000 -0.216 0.000 1.366 133 I HN 0.516 nan 8.210 nan 0.000 0.466 134 C N 7.334 126.551 119.300 -0.139 0.000 2.329 134 C HA 0.770 5.230 4.460 0.001 0.000 0.329 134 C C 0.004 174.963 174.990 -0.051 0.000 1.275 134 C CA -0.576 58.395 59.018 -0.079 0.000 1.726 134 C CB 0.351 28.064 27.740 -0.043 0.000 2.291 134 C HN 0.582 nan 8.230 nan 0.000 0.514 135 L N 1.893 123.110 121.223 -0.012 0.000 2.415 135 L HA 0.748 5.088 4.340 0.001 0.000 0.256 135 L C 0.248 177.142 176.870 0.041 0.000 1.010 135 L CA -0.382 54.472 54.840 0.023 0.000 0.826 135 L CB 1.800 43.884 42.059 0.042 0.000 1.405 135 L HN 0.787 nan 8.230 nan 0.000 0.410 136 G N 1.030 109.863 108.800 0.055 0.000 2.716 136 G HA2 0.611 4.572 3.960 0.001 0.000 0.333 136 G HA3 0.611 4.572 3.960 0.001 0.000 0.333 136 G C -0.006 174.932 174.900 0.063 0.000 1.168 136 G CA -0.217 44.918 45.100 0.058 0.000 1.064 136 G HN 0.763 nan 8.290 nan 0.000 0.479 137 A N 1.141 123.999 122.820 0.063 0.000 2.587 137 A HA 0.509 4.830 4.320 0.001 0.000 0.233 137 A C 1.694 179.307 177.584 0.049 0.000 1.049 137 A CA 1.391 53.463 52.037 0.059 0.000 0.754 137 A CB 0.099 19.140 19.000 0.067 0.000 0.977 137 A HN 2.349 nan 8.150 nan 0.000 0.509 138 G N 1.189 110.011 108.800 0.037 0.000 2.279 138 G HA2 0.011 3.972 3.960 0.001 0.000 0.223 138 G HA3 0.011 3.972 3.960 0.001 0.000 0.223 138 G C 1.094 176.006 174.900 0.018 0.000 1.015 138 G CA 0.413 45.528 45.100 0.025 0.000 0.621 138 G HN 2.116 nan 8.290 nan 0.000 0.506 139 G N 0.054 108.870 108.800 0.027 0.000 2.664 139 G HA2 0.529 4.489 3.960 0.001 0.000 0.242 139 G HA3 0.529 4.489 3.960 0.001 0.000 0.242 139 G C 1.237 176.136 174.900 -0.001 0.000 1.225 139 G CA 0.515 45.627 45.100 0.020 0.000 0.849 139 G HN 1.215 nan 8.290 nan 0.000 0.581 140 G N -0.760 108.025 108.800 -0.025 0.000 2.408 140 G HA2 -0.027 3.934 3.960 0.001 0.000 0.213 140 G HA3 -0.027 3.934 3.960 0.001 0.000 0.213 140 G C 1.623 176.480 174.900 -0.072 0.000 1.177 140 G CA 1.172 46.237 45.100 -0.057 0.000 0.802 140 G HN 0.490 nan 8.290 nan 0.000 0.533 141 V N 1.544 121.440 119.914 -0.030 0.000 2.221 141 V HA 0.008 4.129 4.120 0.001 0.000 0.240 141 V C 3.033 179.235 176.094 0.180 0.000 1.041 141 V CA 2.022 64.342 62.300 0.034 0.000 0.991 141 V CB -1.262 30.668 31.823 0.179 0.000 0.634 141 V HN 0.378 nan 8.190 nan 0.000 0.450 142 G N -1.201 107.765 108.800 0.278 0.000 2.708 142 G HA2 -0.110 3.850 3.960 0.001 0.000 0.210 142 G HA3 -0.110 3.850 3.960 0.001 0.000 0.210 142 G C 1.379 176.379 174.900 0.167 0.000 1.141 142 G CA 1.269 46.544 45.100 0.291 0.000 0.788 142 G HN 0.526 nan 8.290 nan 0.000 0.531 143 T N -0.314 114.290 114.554 0.083 0.000 3.042 143 T HA 0.129 4.479 4.350 0.001 0.000 0.245 143 T C 2.520 177.219 174.700 -0.000 0.000 1.029 143 T CA 0.669 62.795 62.100 0.042 0.000 1.120 143 T CB 0.062 68.942 68.868 0.021 0.000 0.917 143 T HN 0.254 nan 8.240 nan 0.000 0.467 144 G N 0.234 108.987 108.800 -0.078 0.000 2.422 144 G HA2 -0.184 3.776 3.960 0.001 0.000 0.218 144 G HA3 -0.184 3.776 3.960 0.001 0.000 0.218 144 G C 1.235 175.991 174.900 -0.239 0.000 1.146 144 G CA 0.283 45.258 45.100 -0.209 0.000 0.769 144 G HN 0.535 nan 8.290 nan 0.000 0.547 145 W N 0.809 122.066 121.300 -0.072 0.000 2.425 145 W HA 0.123 4.783 4.660 0.001 0.000 0.277 145 W C 2.692 179.149 176.519 -0.105 0.000 1.231 145 W CA 0.392 57.675 57.345 -0.103 0.000 1.248 145 W CB 0.047 29.457 29.460 -0.083 0.000 1.117 145 W HN 0.225 nan 8.180 nan 0.000 0.568 146 G N -0.485 108.399 108.800 0.140 0.000 2.404 146 G HA2 -0.241 3.720 3.960 0.001 0.000 0.215 146 G HA3 -0.241 3.720 3.960 0.001 0.000 0.215 146 G C 1.576 176.474 174.900 -0.004 0.000 1.174 146 G CA 1.314 46.441 45.100 0.046 0.000 0.780 146 G HN 0.155 nan 8.290 nan 0.000 0.537 147 S N 0.313 116.004 115.700 -0.014 0.000 2.368 147 S HA -0.097 4.373 4.470 0.001 0.000 0.225 147 S C 2.175 176.745 174.600 -0.049 0.000 1.030 147 S CA 1.096 59.280 58.200 -0.028 0.000 0.999 147 S CB -0.297 62.884 63.200 -0.031 0.000 0.844 147 S HN 0.258 nan 8.310 nan 0.000 0.459 148 L N 2.142 123.312 121.223 -0.088 0.000 2.012 148 L HA -0.066 4.274 4.340 0.001 0.000 0.210 148 L C 2.192 179.011 176.870 -0.086 0.000 1.073 148 L CA 1.686 56.432 54.840 -0.156 0.000 0.748 148 L CB -0.931 40.951 42.059 -0.295 0.000 0.891 148 L HN 0.133 nan 8.230 nan 0.000 0.431 149 V N -0.123 119.788 119.914 -0.005 0.000 2.287 149 V HA -0.341 3.780 4.120 0.001 0.000 0.248 149 V C 2.659 178.746 176.094 -0.013 0.000 1.053 149 V CA 2.154 64.475 62.300 0.034 0.000 1.027 149 V CB -0.650 31.149 31.823 -0.040 0.000 0.646 149 V HN 0.484 nan 8.190 nan 0.000 0.447 150 L N -0.767 120.396 121.223 -0.100 0.000 2.081 150 L HA -0.297 4.044 4.340 0.001 0.000 0.212 150 L C 2.632 179.544 176.870 0.070 0.000 1.080 150 L CA 1.816 56.558 54.840 -0.164 0.000 0.754 150 L CB -0.607 41.375 42.059 -0.128 0.000 0.893 150 L HN 0.407 nan 8.230 nan 0.000 0.433 151 Q N -0.046 119.791 119.800 0.062 0.000 2.016 151 Q HA -0.173 4.167 4.340 0.001 0.000 0.200 151 Q C 2.416 178.472 176.000 0.094 0.000 0.978 151 Q CA 1.371 57.226 55.803 0.086 0.000 0.833 151 Q CB -0.103 28.647 28.738 0.020 0.000 0.895 151 Q HN 0.471 nan 8.270 nan 0.000 0.427 152 L N 0.359 121.597 121.223 0.025 0.000 2.129 152 L HA -0.243 4.098 4.340 0.001 0.000 0.212 152 L C 2.258 179.272 176.870 0.240 0.000 1.087 152 L CA 0.980 55.822 54.840 0.003 0.000 0.757 152 L CB -0.531 41.383 42.059 -0.242 0.000 0.896 152 L HN 0.325 nan 8.230 nan 0.000 0.434 153 I N -0.663 120.089 120.570 0.303 0.000 2.252 153 I HA -0.257 3.914 4.170 0.001 0.000 0.245 153 I C 2.794 179.119 176.117 0.347 0.000 1.102 153 I CA 1.137 62.642 61.300 0.343 0.000 1.385 153 I CB -0.300 37.797 38.000 0.162 0.000 1.064 153 I HN 0.199 nan 8.210 nan 0.000 0.414 154 R N 0.904 121.613 120.500 0.348 0.000 2.073 154 R HA -0.158 4.183 4.340 0.001 0.000 0.234 154 R C 1.607 178.024 176.300 0.194 0.000 1.134 154 R CA 1.302 57.563 56.100 0.267 0.000 0.952 154 R CB -0.270 30.161 30.300 0.218 0.000 0.850 154 R HN 0.418 nan 8.270 nan 0.000 0.433 155 E N 1.124 121.431 120.200 0.178 0.000 2.505 155 E HA -0.088 4.262 4.350 0.001 0.000 0.197 155 E C -0.303 176.405 176.600 0.179 0.000 1.111 155 E CA -0.015 56.479 56.400 0.156 0.000 0.887 155 E CB 0.037 29.818 29.700 0.136 0.000 0.913 155 E HN 0.243 nan 8.360 nan 0.000 0.517 156 Q N -1.537 118.385 119.800 0.203 0.000 2.437 156 Q HA -0.274 4.066 4.340 0.001 0.000 0.274 156 Q C 0.640 176.732 176.000 0.154 0.000 1.165 156 Q CA 0.487 56.403 55.803 0.188 0.000 0.925 156 Q CB -2.019 26.805 28.738 0.144 0.000 1.327 156 Q HN 0.473 nan 8.270 nan 0.000 0.505 157 F N -0.078 119.856 119.950 -0.026 0.000 2.234 157 F HA 0.014 4.541 4.527 0.001 0.000 0.299 157 F C 0.577 176.179 175.800 -0.330 0.000 1.087 157 F CA 0.805 58.676 58.000 -0.214 0.000 1.340 157 F CB 0.327 39.103 39.000 -0.372 0.000 1.031 157 F HN 0.070 nan 8.300 nan 0.000 0.500 158 F N 1.311 121.291 119.950 0.050 0.000 2.410 158 F HA 0.290 4.817 4.527 0.001 0.000 0.348 158 F C -1.208 174.590 175.800 -0.003 0.000 1.106 158 F CA -2.022 55.920 58.000 -0.096 0.000 1.163 158 F CB 0.314 39.232 39.000 -0.136 0.000 1.129 158 F HN -0.212 nan 8.300 nan 0.000 0.516 159 P HA -0.056 nan 4.420 nan 0.000 0.225 159 P C -0.476 176.970 177.300 0.244 0.000 1.148 159 P CA 0.866 64.093 63.100 0.211 0.000 0.779 159 P CB 0.014 31.860 31.700 0.243 0.000 0.780 160 C N -6.958 112.558 119.300 0.360 0.000 3.336 160 C HA 0.619 5.079 4.460 0.001 0.000 0.339 160 C C -2.906 172.222 174.990 0.230 0.000 1.468 160 C CA -2.824 56.332 59.018 0.231 0.000 1.287 160 C CB 0.765 28.580 27.740 0.125 0.000 1.682 160 C HN -0.156 nan 8.230 nan 0.000 0.451 161 P HA 0.305 nan 4.420 nan 0.000 0.268 161 P C -0.796 176.517 177.300 0.021 0.000 1.208 161 P CA 0.122 63.244 63.100 0.037 0.000 0.777 161 P CB 0.329 32.029 31.700 -0.001 0.000 0.875 162 V N 1.736 121.587 119.914 -0.105 0.000 2.555 162 V HA 0.467 4.587 4.120 0.001 0.000 0.302 162 V C 0.104 176.089 176.094 -0.181 0.000 1.038 162 V CA -0.273 61.900 62.300 -0.212 0.000 0.887 162 V CB 1.798 33.327 31.823 -0.491 0.000 0.991 162 V HN 0.531 nan 8.190 nan 0.000 0.434 163 S N 5.422 121.020 115.700 -0.169 0.000 2.482 163 S HA 0.752 5.222 4.470 0.001 0.000 0.303 163 S C -0.736 173.737 174.600 -0.212 0.000 1.091 163 S CA -0.659 57.442 58.200 -0.165 0.000 1.057 163 S CB 0.963 64.089 63.200 -0.123 0.000 1.031 163 S HN 0.640 nan 8.310 nan 0.000 0.485 164 M N 4.247 123.738 119.600 -0.182 0.000 2.227 164 M HA 0.452 4.932 4.480 0.001 0.000 0.335 164 M C -1.277 174.967 176.300 -0.094 0.000 1.053 164 M CA -0.815 54.391 55.300 -0.156 0.000 0.973 164 M CB 1.738 34.248 32.600 -0.151 0.000 1.623 164 M HN 0.512 nan 8.290 nan 0.000 0.434 165 L N 5.880 127.051 121.223 -0.086 0.000 2.277 165 L HA 0.612 4.953 4.340 0.001 0.000 0.284 165 L C -1.347 175.534 176.870 0.018 0.000 1.028 165 L CA 0.049 54.881 54.840 -0.013 0.000 0.835 165 L CB 0.481 42.522 42.059 -0.030 0.000 1.215 165 L HN 0.599 nan 8.230 nan 0.000 0.425 166 I N 3.225 123.832 120.570 0.062 0.000 2.509 166 I HA 0.387 4.557 4.170 0.001 0.000 0.293 166 I C -0.045 176.121 176.117 0.082 0.000 1.020 166 I CA -0.411 60.930 61.300 0.068 0.000 1.088 166 I CB 2.167 40.216 38.000 0.082 0.000 1.267 166 I HN 0.547 nan 8.210 nan 0.000 0.430 167 S N 6.470 122.212 115.700 0.070 0.000 2.508 167 S HA 0.648 5.118 4.470 0.001 0.000 0.284 167 S C -0.613 174.031 174.600 0.073 0.000 1.192 167 S CA -0.603 57.641 58.200 0.073 0.000 1.070 167 S CB 0.566 63.813 63.200 0.077 0.000 1.004 167 S HN 0.411 nan 8.310 nan 0.000 0.493 168 L N 6.379 127.640 121.223 0.064 0.000 2.295 168 L HA 0.498 4.838 4.340 0.001 0.000 0.285 168 L C -1.957 174.940 176.870 0.045 0.000 1.035 168 L CA -2.330 52.539 54.840 0.049 0.000 0.806 168 L CB 1.535 43.611 42.059 0.029 0.000 1.214 168 L HN 0.522 nan 8.230 nan 0.000 0.426 169 P HA 0.096 nan 4.420 nan 0.000 0.269 169 P C -0.003 177.309 177.300 0.021 0.000 1.215 169 P CA -0.210 62.917 63.100 0.044 0.000 0.780 169 P CB 1.250 32.968 31.700 0.030 0.000 0.898 170 S N 1.255 116.975 115.700 0.034 0.000 2.336 170 S HA 0.089 4.559 4.470 0.001 0.000 0.214 170 S C 1.348 175.934 174.600 -0.023 0.000 1.032 170 S CA 1.519 59.714 58.200 -0.008 0.000 1.001 170 S CB -0.694 62.514 63.200 0.013 0.000 0.953 170 S HN 0.828 nan 8.310 nan 0.000 0.430 171 G N 1.250 110.046 108.800 -0.007 0.000 4.809 171 G HA2 0.338 4.299 3.960 0.001 0.000 0.225 171 G HA3 0.338 4.299 3.960 0.001 0.000 0.225 171 G C -1.626 173.268 174.900 -0.009 0.000 1.929 171 G CA -0.576 44.513 45.100 -0.018 0.000 0.616 171 G HN 0.260 nan 8.290 nan 0.000 0.286 172 D N 1.253 121.651 120.400 -0.003 0.000 2.349 172 D HA 0.507 5.148 4.640 0.001 0.000 0.232 172 D C -0.591 175.702 176.300 -0.012 0.000 1.071 172 D CA -2.100 51.898 54.000 -0.004 0.000 0.832 172 D CB 2.641 43.444 40.800 0.004 0.000 1.086 172 D HN 0.026 nan 8.370 nan 0.000 0.504 173 P HA -0.159 nan 4.420 nan 0.000 0.217 173 P C 0.501 177.789 177.300 -0.021 0.000 1.148 173 P CA 1.005 64.091 63.100 -0.023 0.000 0.828 173 P CB 0.471 32.158 31.700 -0.022 0.000 0.783 174 D N 0.098 120.488 120.400 -0.016 0.000 2.103 174 D HA -0.110 4.530 4.640 0.001 0.000 0.199 174 D C 2.028 178.321 176.300 -0.012 0.000 0.978 174 D CA 0.994 54.985 54.000 -0.015 0.000 0.829 174 D CB -0.224 40.567 40.800 -0.015 0.000 0.981 174 D HN 0.310 nan 8.370 nan 0.000 0.464 175 E N 0.679 120.874 120.200 -0.008 0.000 2.058 175 E HA -0.153 4.197 4.350 0.001 0.000 0.194 175 E C 2.411 179.009 176.600 -0.003 0.000 0.997 175 E CA 0.580 56.980 56.400 -0.000 0.000 0.801 175 E CB -0.060 29.645 29.700 0.008 0.000 0.746 175 E HN 0.291 nan 8.360 nan 0.000 0.450 176 I N 1.560 122.121 120.570 -0.014 0.000 2.163 176 I HA -0.315 3.855 4.170 0.001 0.000 0.243 176 I C 2.167 178.263 176.117 -0.034 0.000 1.085 176 I CA 1.061 62.343 61.300 -0.029 0.000 1.347 176 I CB -0.387 37.586 38.000 -0.045 0.000 1.044 176 I HN 0.177 nan 8.210 nan 0.000 0.408 177 N N 0.784 119.466 118.700 -0.029 0.000 2.188 177 N HA -0.141 4.599 4.740 0.001 0.000 0.184 177 N C 1.515 177.021 175.510 -0.006 0.000 1.018 177 N CA 1.130 54.164 53.050 -0.026 0.000 0.858 177 N CB -0.245 38.228 38.487 -0.024 0.000 0.989 177 N HN 0.366 nan 8.380 nan 0.000 0.426 178 N N 1.722 120.421 118.700 -0.001 0.000 2.036 178 N HA -0.134 4.606 4.740 0.001 0.000 0.195 178 N C 1.792 177.318 175.510 0.027 0.000 1.037 178 N CA 1.549 54.605 53.050 0.010 0.000 0.855 178 N CB -0.573 37.917 38.487 0.005 0.000 1.033 178 N HN 0.195 nan 8.380 nan 0.000 0.423 179 A N 0.708 123.545 122.820 0.027 0.000 1.948 179 A HA -0.119 4.201 4.320 0.001 0.000 0.220 179 A C 2.251 179.883 177.584 0.080 0.000 1.177 179 A CA 1.194 53.261 52.037 0.050 0.000 0.636 179 A CB -0.827 18.195 19.000 0.036 0.000 0.815 179 A HN 0.258 nan 8.150 nan 0.000 0.449 180 L N -0.182 121.069 121.223 0.046 0.000 2.056 180 L HA -0.137 4.203 4.340 0.001 0.000 0.207 180 L C 2.720 179.692 176.870 0.171 0.000 1.078 180 L CA 1.405 56.294 54.840 0.082 0.000 0.749 180 L CB -0.741 41.266 42.059 -0.088 0.000 0.901 180 L HN 0.458 nan 8.230 nan 0.000 0.433 181 V N -1.686 118.286 119.914 0.097 0.000 2.490 181 V HA -0.240 3.880 4.120 0.001 0.000 0.250 181 V C 2.335 178.490 176.094 0.103 0.000 1.061 181 V CA 1.611 63.968 62.300 0.095 0.000 1.064 181 V CB -0.517 31.339 31.823 0.054 0.000 0.670 181 V HN 0.336 nan 8.190 nan 0.000 0.461 182 L N -0.121 121.160 121.223 0.097 0.000 2.005 182 L HA 0.038 4.379 4.340 0.001 0.000 0.207 182 L C 2.408 179.350 176.870 0.119 0.000 1.072 182 L CA 2.037 56.929 54.840 0.088 0.000 0.744 182 L CB -0.557 41.545 42.059 0.072 0.000 0.895 182 L HN 0.293 nan 8.230 nan 0.000 0.433 183 L N -1.115 120.213 121.223 0.175 0.000 2.079 183 L HA -0.242 4.099 4.340 0.001 0.000 0.210 183 L C 2.724 179.678 176.870 0.139 0.000 1.081 183 L CA 1.503 56.468 54.840 0.210 0.000 0.752 183 L CB -0.728 41.515 42.059 0.308 0.000 0.896 183 L HN 0.385 nan 8.230 nan 0.000 0.433 184 S N -0.322 115.478 115.700 0.168 0.000 2.348 184 S HA -0.273 4.198 4.470 0.001 0.000 0.221 184 S C 1.961 176.612 174.600 0.086 0.000 1.033 184 S CA 1.784 60.044 58.200 0.101 0.000 1.010 184 S CB -0.132 63.168 63.200 0.166 0.000 0.891 184 S HN 0.449 nan 8.310 nan 0.000 0.442 185 E N -0.057 120.202 120.200 0.098 0.000 2.153 185 E HA -0.120 4.231 4.350 0.001 0.000 0.194 185 E C 1.940 178.608 176.600 0.114 0.000 0.988 185 E CA 1.212 57.671 56.400 0.098 0.000 0.811 185 E CB -0.152 29.596 29.700 0.081 0.000 0.746 185 E HN 0.611 nan 8.360 nan 0.000 0.466 186 I N 0.647 121.273 120.570 0.092 0.000 2.163 186 I HA -0.230 3.940 4.170 0.001 0.000 0.240 186 I C 2.246 178.425 176.117 0.104 0.000 1.081 186 I CA 1.314 62.651 61.300 0.062 0.000 1.353 186 I CB -0.227 37.790 38.000 0.027 0.000 1.054 186 I HN 0.116 nan 8.210 nan 0.000 0.407 187 D N 0.891 121.365 120.400 0.123 0.000 2.133 187 D HA -0.223 4.418 4.640 0.001 0.000 0.195 187 D C 2.046 178.408 176.300 0.103 0.000 0.997 187 D CA 1.507 55.581 54.000 0.123 0.000 0.840 187 D CB 0.080 40.906 40.800 0.042 0.000 0.947 187 D HN 0.329 nan 8.370 nan 0.000 0.452 188 E N -0.818 119.442 120.200 0.100 0.000 2.038 188 E HA -0.186 4.164 4.350 0.001 0.000 0.195 188 E C 2.031 178.697 176.600 0.110 0.000 1.000 188 E CA 0.808 57.262 56.400 0.089 0.000 0.803 188 E CB -0.367 29.386 29.700 0.089 0.000 0.750 188 E HN 0.363 nan 8.360 nan 0.000 0.448 189 F N 1.065 121.022 119.950 0.012 0.000 2.120 189 F HA -0.243 4.284 4.527 0.001 0.000 0.300 189 F C 2.287 178.090 175.800 0.006 0.000 1.095 189 F CA 1.466 59.473 58.000 0.010 0.000 1.249 189 F CB 0.011 39.007 39.000 -0.006 0.000 0.995 189 F HN -0.027 nan 8.300 nan 0.000 0.480 190 M N -0.598 119.160 119.600 0.263 0.000 2.175 190 M HA -0.175 4.305 4.480 0.001 0.000 0.264 190 M C 2.203 178.556 176.300 0.088 0.000 1.063 190 M CA 1.557 56.955 55.300 0.162 0.000 1.119 190 M CB -0.335 32.312 32.600 0.078 0.000 1.377 190 M HN 0.051 nan 8.290 nan 0.000 0.415 191 R N -0.081 120.458 120.500 0.065 0.000 2.073 191 R HA -0.140 4.201 4.340 0.001 0.000 0.229 191 R C 2.118 178.424 176.300 0.009 0.000 1.120 191 R CA 1.428 57.551 56.100 0.040 0.000 0.967 191 R CB -0.311 30.010 30.300 0.035 0.000 0.862 191 R HN 0.446 nan 8.270 nan 0.000 0.436 192 E N 1.205 121.381 120.200 -0.040 0.000 2.038 192 E HA -0.305 4.045 4.350 0.001 0.000 0.195 192 E C 2.071 178.638 176.600 -0.054 0.000 1.000 192 E CA 1.484 57.828 56.400 -0.093 0.000 0.803 192 E CB 0.018 29.587 29.700 -0.218 0.000 0.750 192 E HN 0.281 nan 8.360 nan 0.000 0.448 193 Q N 0.021 119.782 119.800 -0.066 0.000 2.135 193 Q HA -0.216 4.124 4.340 0.001 0.000 0.204 193 Q C 1.682 177.794 176.000 0.187 0.000 0.981 193 Q CA 1.824 57.686 55.803 0.097 0.000 0.856 193 Q CB 0.004 28.796 28.738 0.090 0.000 0.902 193 Q HN 0.340 nan 8.270 nan 0.000 0.425 194 D N -0.210 120.252 120.400 0.103 0.000 2.178 194 D HA -0.139 4.501 4.640 0.001 0.000 0.202 194 D C 1.675 178.026 176.300 0.086 0.000 0.974 194 D CA 1.159 55.219 54.000 0.100 0.000 0.841 194 D CB 0.088 40.930 40.800 0.071 0.000 0.953 194 D HN 0.468 nan 8.370 nan 0.000 0.478 195 R N -0.179 120.354 120.500 0.055 0.000 2.300 195 R HA 0.176 4.517 4.340 0.001 0.000 0.199 195 R C 1.912 178.207 176.300 -0.008 0.000 0.920 195 R CA 0.190 56.303 56.100 0.022 0.000 1.046 195 R CB -0.111 30.191 30.300 0.003 0.000 0.984 195 R HN 0.131 nan 8.270 nan 0.000 0.493 196 L N -0.349 120.877 121.223 0.005 0.000 2.463 196 L HA 0.375 4.715 4.340 0.001 0.000 0.219 196 L C -0.172 176.487 176.870 -0.351 0.000 1.088 196 L CA 0.137 54.880 54.840 -0.161 0.000 0.849 196 L CB 0.268 42.214 42.059 -0.187 0.000 1.012 196 L HN 0.021 nan 8.230 nan 0.000 0.468 197 F N -0.628 119.321 119.950 -0.003 0.000 2.563 197 F HA 0.591 5.119 4.527 0.001 0.000 0.316 197 F C 0.875 176.684 175.800 0.014 0.000 1.076 197 F CA -0.929 57.077 58.000 0.010 0.000 0.921 197 F CB 1.320 40.332 39.000 0.020 0.000 1.209 197 F HN -0.248 nan 8.300 nan 0.000 0.462 198 G N 1.029 109.945 108.800 0.193 0.000 2.580 198 G HA2 0.114 4.075 3.960 0.001 0.000 0.278 198 G HA3 0.114 4.075 3.960 0.001 0.000 0.278 198 G C 0.624 175.595 174.900 0.118 0.000 1.212 198 G CA -0.559 44.613 45.100 0.119 0.000 0.939 198 G HN 0.616 nan 8.290 nan 0.000 0.513 199 N N 0.006 118.756 118.700 0.083 0.000 2.061 199 N HA -0.145 4.596 4.740 0.001 0.000 0.193 199 N C 2.465 178.014 175.510 0.064 0.000 1.030 199 N CA 1.744 54.836 53.050 0.070 0.000 0.856 199 N CB -0.331 38.191 38.487 0.058 0.000 1.023 199 N HN 0.377 nan 8.380 nan 0.000 0.424 200 S N 0.572 116.309 115.700 0.062 0.000 2.453 200 S HA -0.020 4.450 4.470 0.001 0.000 0.231 200 S C 0.206 174.841 174.600 0.058 0.000 1.005 200 S CA 0.343 58.573 58.200 0.051 0.000 0.949 200 S CB -0.089 63.138 63.200 0.044 0.000 0.774 200 S HN 0.304 nan 8.310 nan 0.000 0.510 201 D N 1.245 121.699 120.400 0.090 0.000 2.399 201 D HA 0.229 4.869 4.640 0.001 0.000 0.241 201 D C 0.013 176.345 176.300 0.053 0.000 1.133 201 D CA -0.043 54.027 54.000 0.117 0.000 0.890 201 D CB 0.441 41.395 40.800 0.257 0.000 1.201 201 D HN 0.148 nan 8.370 nan 0.000 0.432 202 I N 2.075 122.666 120.570 0.034 0.000 2.517 202 I HA -0.048 4.122 4.170 0.001 0.000 0.285 202 I C 0.685 176.707 176.117 -0.158 0.000 1.106 202 I CA 0.147 61.428 61.300 -0.031 0.000 1.402 202 I CB 0.258 38.255 38.000 -0.006 0.000 1.399 202 I HN -0.060 nan 8.210 nan 0.000 0.535 203 K N 8.738 129.011 120.400 -0.212 0.000 2.172 203 K HA 0.279 4.600 4.320 0.001 0.000 0.276 203 K C -1.709 174.724 176.600 -0.279 0.000 1.013 203 K CA -1.406 54.642 56.287 -0.398 0.000 0.913 203 K CB 0.795 33.145 32.500 -0.250 0.000 1.055 203 K HN 0.167 nan 8.250 nan 0.000 0.461 204 P HA -0.139 nan 4.420 nan 0.000 0.220 204 P C -0.454 176.808 177.300 -0.062 0.000 1.148 204 P CA 0.701 63.742 63.100 -0.098 0.000 0.803 204 P CB 0.281 31.985 31.700 0.006 0.000 0.782 205 L N -1.146 120.038 121.223 -0.065 0.000 2.283 205 L HA 0.556 4.897 4.340 0.001 0.000 0.281 205 L C 1.073 177.875 176.870 -0.113 0.000 1.033 205 L CA -0.846 53.915 54.840 -0.132 0.000 0.848 205 L CB 0.267 42.211 42.059 -0.193 0.000 1.226 205 L HN -0.186 nan 8.230 nan 0.000 0.429 206 A N 4.400 127.157 122.820 -0.105 0.000 1.930 206 A HA 0.065 4.385 4.320 0.001 0.000 0.217 206 A C 0.486 178.032 177.584 -0.064 0.000 1.175 206 A CA 1.573 53.569 52.037 -0.068 0.000 0.627 206 A CB -0.715 18.265 19.000 -0.033 0.000 0.815 206 A HN 0.931 nan 8.150 nan 0.000 0.443 207 N N -4.501 114.141 118.700 -0.096 0.000 3.533 207 N HA 0.389 5.129 4.740 0.001 0.000 0.229 207 N C -1.646 173.771 175.510 -0.155 0.000 1.418 207 N CA -0.457 52.530 53.050 -0.104 0.000 0.880 207 N CB 1.071 39.539 38.487 -0.033 0.000 1.415 207 N HN -0.005 nan 8.380 nan 0.000 0.491 208 V N 0.643 120.444 119.914 -0.187 0.000 2.483 208 V HA 0.529 4.649 4.120 0.001 0.000 0.297 208 V C -0.677 175.452 176.094 0.059 0.000 1.027 208 V CA -0.530 61.680 62.300 -0.151 0.000 0.855 208 V CB 1.225 32.838 31.823 -0.349 0.000 0.995 208 V HN 0.669 nan 8.190 nan 0.000 0.424 209 I N 6.030 126.664 120.570 0.106 0.000 2.330 209 I HA 0.507 4.678 4.170 0.001 0.000 0.289 209 I C -0.026 176.253 176.117 0.269 0.000 1.001 209 I CA -0.719 60.717 61.300 0.226 0.000 1.193 209 I CB 1.687 39.815 38.000 0.214 0.000 1.345 209 I HN 0.513 nan 8.210 nan 0.000 0.461 210 V N 2.949 123.074 119.914 0.352 0.000 2.630 210 V HA 0.629 4.750 4.120 0.001 0.000 0.305 210 V C -0.568 175.661 176.094 0.225 0.000 1.046 210 V CA -0.485 61.972 62.300 0.262 0.000 0.934 210 V CB 1.806 33.770 31.823 0.235 0.000 1.003 210 V HN 0.784 nan 8.190 nan 0.000 0.451 211 N N 1.926 120.693 118.700 0.112 0.000 2.296 211 N HA 0.482 5.223 4.740 0.001 0.000 0.294 211 N C -1.782 173.749 175.510 0.036 0.000 1.033 211 N CA -0.547 52.525 53.050 0.037 0.000 0.839 211 N CB 1.951 40.416 38.487 -0.036 0.000 1.395 211 N HN 0.936 nan 8.380 nan 0.000 0.479 212 D N 0.927 121.334 120.400 0.012 0.000 2.359 212 D HA 0.243 4.883 4.640 0.001 0.000 0.230 212 D C 0.531 176.815 176.300 -0.027 0.000 1.118 212 D CA -0.291 53.702 54.000 -0.012 0.000 0.844 212 D CB 0.624 41.399 40.800 -0.042 0.000 1.059 212 D HN 0.330 nan 8.370 nan 0.000 0.493 213 N N 1.889 120.587 118.700 -0.003 0.000 2.137 213 N HA -0.159 4.581 4.740 0.001 0.000 0.190 213 N C 1.318 176.696 175.510 -0.220 0.000 1.017 213 N CA 1.361 54.390 53.050 -0.035 0.000 0.859 213 N CB -0.144 38.385 38.487 0.070 0.000 1.002 213 N HN 0.478 nan 8.380 nan 0.000 0.428 214 T N 0.422 114.875 114.554 -0.169 0.000 2.674 214 T HA -0.182 4.168 4.350 0.001 0.000 0.265 214 T C 1.890 176.460 174.700 -0.217 0.000 1.039 214 T CA 1.426 63.404 62.100 -0.204 0.000 1.150 214 T CB -0.348 68.439 68.868 -0.136 0.000 0.864 214 T HN 0.216 nan 8.240 nan 0.000 0.427 215 Q N 0.795 120.496 119.800 -0.164 0.000 2.135 215 Q HA 0.012 4.352 4.340 0.001 0.000 0.204 215 Q C 2.104 177.962 176.000 -0.236 0.000 0.981 215 Q CA 1.638 57.340 55.803 -0.167 0.000 0.856 215 Q CB -0.436 28.233 28.738 -0.115 0.000 0.902 215 Q HN 0.541 nan 8.270 nan 0.000 0.425 216 M N -0.736 118.732 119.600 -0.220 0.000 2.193 216 M HA -0.130 4.351 4.480 0.001 0.000 0.265 216 M C 2.212 178.358 176.300 -0.258 0.000 1.071 216 M CA 1.458 56.629 55.300 -0.215 0.000 1.140 216 M CB -0.237 32.392 32.600 0.048 0.000 1.369 216 M HN 0.258 nan 8.290 nan 0.000 0.423 217 Q N -0.156 119.370 119.800 -0.456 0.000 2.135 217 Q HA -0.193 4.148 4.340 0.001 0.000 0.204 217 Q C 2.154 177.942 176.000 -0.354 0.000 0.981 217 Q CA 1.339 56.765 55.803 -0.628 0.000 0.856 217 Q CB -0.207 27.946 28.738 -0.975 0.000 0.902 217 Q HN 0.429 nan 8.270 nan 0.000 0.425 218 R N 0.549 120.870 120.500 -0.297 0.000 2.066 218 R HA -0.117 4.223 4.340 0.001 0.000 0.232 218 R C 2.175 178.361 176.300 -0.190 0.000 1.131 218 R CA 1.174 57.145 56.100 -0.216 0.000 0.955 218 R CB -0.179 30.008 30.300 -0.189 0.000 0.851 218 R HN 0.245 nan 8.270 nan 0.000 0.432 219 I N 0.441 120.861 120.570 -0.250 0.000 2.361 219 I HA -0.286 3.884 4.170 0.001 0.000 0.251 219 I C 2.080 178.119 176.117 -0.130 0.000 1.133 219 I CA 1.219 62.362 61.300 -0.261 0.000 1.413 219 I CB -0.127 37.528 38.000 -0.575 0.000 1.073 219 I HN 0.194 nan 8.210 nan 0.000 0.424 220 I N 0.330 120.854 120.570 -0.076 0.000 2.353 220 I HA -0.210 3.960 4.170 0.001 0.000 0.248 220 I C 2.334 178.459 176.117 0.014 0.000 1.119 220 I CA 1.191 62.522 61.300 0.051 0.000 1.417 220 I CB -0.300 37.793 38.000 0.155 0.000 1.078 220 I HN 0.149 nan 8.210 nan 0.000 0.421 221 E N 0.457 120.630 120.200 -0.045 0.000 2.209 221 E HA -0.182 4.169 4.350 0.001 0.000 0.196 221 E C 2.239 178.816 176.600 -0.038 0.000 0.993 221 E CA 1.440 57.811 56.400 -0.048 0.000 0.819 221 E CB 0.028 29.677 29.700 -0.086 0.000 0.745 221 E HN 0.403 nan 8.360 nan 0.000 0.477 222 S N 0.741 116.415 115.700 -0.043 0.000 2.345 222 S HA -0.129 4.342 4.470 0.001 0.000 0.219 222 S C 1.156 175.748 174.600 -0.014 0.000 1.031 222 S CA 0.812 58.990 58.200 -0.036 0.000 0.984 222 S CB -0.179 62.991 63.200 -0.050 0.000 0.874 222 S HN 0.368 nan 8.310 nan 0.000 0.451 234 V N 4.759 124.763 119.914 0.150 0.000 2.385 234 V HA 0.294 4.414 4.120 0.001 0.000 0.269 234 V C -0.151 175.955 176.094 0.021 0.000 1.043 234 V CA -0.406 61.933 62.300 0.065 0.000 0.906 234 V CB 0.385 32.249 31.823 0.069 0.000 0.995 234 V HN 0.440 nan 8.190 nan 0.000 0.467 235 N N 6.294 124.976 118.700 -0.029 0.000 2.371 235 N HA 0.086 4.827 4.740 0.001 0.000 0.243 235 N C 1.335 176.812 175.510 -0.055 0.000 1.287 235 N CA -0.034 52.981 53.050 -0.059 0.000 0.911 235 N CB 0.381 38.770 38.487 -0.163 0.000 1.142 235 N HN 0.812 nan 8.380 nan 0.000 0.451 236 W N 0.950 122.250 121.300 0.001 0.000 2.321 236 W HA -0.194 4.467 4.660 0.001 0.000 0.306 236 W C 0.806 177.340 176.519 0.025 0.000 1.217 236 W CA 0.788 58.145 57.345 0.019 0.000 1.257 236 W CB -0.734 28.736 29.460 0.018 0.000 1.145 236 W HN 0.538 nan 8.180 nan 0.000 0.509 237 K N 0.909 120.783 120.400 -0.876 0.000 2.160 237 K HA -0.211 4.109 4.320 0.001 0.000 0.206 237 K C 1.939 178.383 176.600 -0.260 0.000 1.047 237 K CA 2.349 58.181 56.287 -0.758 0.000 0.930 237 K CB -0.279 31.629 32.500 -0.986 0.000 0.720 237 K HN 0.284 nan 8.250 nan 0.000 0.450 238 E N -0.110 119.978 120.200 -0.186 0.000 2.216 238 E HA -0.082 4.268 4.350 0.001 0.000 0.192 238 E C 1.834 178.414 176.600 -0.034 0.000 0.988 238 E CA 0.433 56.776 56.400 -0.095 0.000 0.834 238 E CB 0.310 29.961 29.700 -0.082 0.000 0.772 238 E HN 0.028 nan 8.360 nan 0.000 0.479 239 V N 1.016 120.944 119.914 0.023 0.000 2.346 239 V HA -0.188 3.932 4.120 0.001 0.000 0.244 239 V C 2.244 178.357 176.094 0.032 0.000 1.037 239 V CA 1.695 64.031 62.300 0.060 0.000 1.029 239 V CB -0.435 31.473 31.823 0.140 0.000 0.663 239 V HN 0.301 nan 8.190 nan 0.000 0.454 240 A N 0.666 123.569 122.820 0.139 0.000 1.865 240 A HA -0.271 4.050 4.320 0.001 0.000 0.217 240 A C 2.037 179.583 177.584 -0.063 0.000 1.191 240 A CA 2.271 54.385 52.037 0.129 0.000 0.623 240 A CB -0.837 18.377 19.000 0.356 0.000 0.826 240 A HN 0.585 nan 8.150 nan 0.000 0.444 241 N N 0.703 119.382 118.700 -0.035 0.000 2.061 241 N HA -0.162 4.579 4.740 0.001 0.000 0.193 241 N C 1.273 176.722 175.510 -0.101 0.000 1.030 241 N CA 1.714 54.723 53.050 -0.068 0.000 0.856 241 N CB -0.585 37.862 38.487 -0.067 0.000 1.023 241 N HN 0.480 nan 8.380 nan 0.000 0.424 242 D N 0.589 120.932 120.400 -0.095 0.000 2.097 242 D HA -0.081 4.559 4.640 0.001 0.000 0.195 242 D C 1.601 177.837 176.300 -0.107 0.000 0.989 242 D CA 0.700 54.653 54.000 -0.079 0.000 0.827 242 D CB -0.388 40.385 40.800 -0.045 0.000 0.966 242 D HN 0.302 nan 8.370 nan 0.000 0.456 243 N N 0.404 118.952 118.700 -0.254 0.000 2.058 243 N HA -0.117 4.623 4.740 0.001 0.000 0.191 243 N C 2.107 177.480 175.510 -0.228 0.000 1.037 243 N CA 0.828 53.628 53.050 -0.418 0.000 0.848 243 N CB -0.281 37.451 38.487 -1.258 0.000 1.021 243 N HN 0.053 nan 8.380 nan 0.000 0.422 244 V N 1.446 121.209 119.914 -0.252 0.000 2.255 244 V HA -0.183 3.937 4.120 0.001 0.000 0.247 244 V C 2.563 178.735 176.094 0.131 0.000 1.051 244 V CA 1.354 63.603 62.300 -0.085 0.000 1.018 244 V CB -0.555 31.156 31.823 -0.187 0.000 0.641 244 V HN 0.063 nan 8.190 nan 0.000 0.445 245 V N 0.936 120.843 119.914 -0.013 0.000 2.295 245 V HA -0.233 3.887 4.120 0.001 0.000 0.246 245 V C 2.755 178.856 176.094 0.011 0.000 1.049 245 V CA 2.274 64.489 62.300 -0.141 0.000 1.024 245 V CB -0.892 30.669 31.823 -0.436 0.000 0.648 245 V HN 0.773 nan 8.190 nan 0.000 0.447 246 S N -0.201 115.560 115.700 0.100 0.000 2.370 246 S HA -0.263 4.208 4.470 0.001 0.000 0.226 246 S C 1.959 176.681 174.600 0.204 0.000 1.033 246 S CA 2.099 60.414 58.200 0.192 0.000 1.011 246 S CB -1.014 62.293 63.200 0.179 0.000 0.852 246 S HN 0.573 nan 8.310 nan 0.000 0.457 247 T N 3.249 117.942 114.554 0.233 0.000 2.652 247 T HA -0.006 4.344 4.350 0.001 0.000 0.267 247 T C 1.766 176.616 174.700 0.251 0.000 1.039 247 T CA 1.751 64.026 62.100 0.293 0.000 1.153 247 T CB -0.680 68.422 68.868 0.390 0.000 0.863 247 T HN 0.329 nan 8.240 nan 0.000 0.428 248 L N -0.046 121.354 121.223 0.295 0.000 2.042 248 L HA -0.160 4.180 4.340 0.001 0.000 0.210 248 L C 2.619 179.788 176.870 0.497 0.000 1.076 248 L CA 1.610 56.670 54.840 0.366 0.000 0.749 248 L CB -0.580 41.694 42.059 0.359 0.000 0.893 248 L HN 0.317 nan 8.230 nan 0.000 0.432 249 H N 0.271 119.505 119.070 0.273 0.000 2.353 249 H HA -0.156 4.400 4.556 0.001 0.000 0.300 249 H C 2.139 177.507 175.328 0.066 0.000 1.090 249 H CA 1.848 58.003 56.048 0.177 0.000 1.327 249 H CB 0.115 29.681 29.762 -0.326 0.000 1.383 249 H HN 0.319 nan 8.280 nan 0.000 0.508 250 E N -0.063 120.125 120.200 -0.020 0.000 2.051 250 E HA -0.136 4.214 4.350 0.001 0.000 0.192 250 E C 2.398 178.858 176.600 -0.233 0.000 0.991 250 E CA 1.521 57.830 56.400 -0.152 0.000 0.799 250 E CB -0.208 29.493 29.700 0.002 0.000 0.748 250 E HN 0.745 nan 8.360 nan 0.000 0.449 251 I N -0.299 120.179 120.570 -0.154 0.000 2.567 251 I HA -0.174 3.997 4.170 0.001 0.000 0.257 251 I C 2.034 178.140 176.117 -0.019 0.000 1.184 251 I CA 1.143 62.389 61.300 -0.090 0.000 1.451 251 I CB -0.156 37.804 38.000 -0.066 0.000 1.089 251 I HN -0.040 nan 8.210 nan 0.000 0.441 252 N N 1.781 120.463 118.700 -0.030 0.000 2.135 252 N HA -0.094 4.647 4.740 0.001 0.000 0.186 252 N C 1.771 177.186 175.510 -0.158 0.000 1.027 252 N CA 1.447 54.427 53.050 -0.116 0.000 0.849 252 N CB -0.087 38.347 38.487 -0.087 0.000 1.002 252 N HN 0.276 nan 8.380 nan 0.000 0.425 253 I N 1.310 121.738 120.570 -0.236 0.000 2.099 253 I HA -0.244 3.926 4.170 0.001 0.000 0.239 253 I C 2.235 178.250 176.117 -0.170 0.000 1.066 253 I CA 0.933 62.099 61.300 -0.223 0.000 1.324 253 I CB -1.105 36.702 38.000 -0.321 0.000 1.037 253 I HN 0.136 nan 8.210 nan 0.000 0.401 254 I N 0.965 121.392 120.570 -0.237 0.000 2.118 254 I HA -0.249 3.922 4.170 0.001 0.000 0.241 254 I C -0.440 175.477 176.117 -0.333 0.000 1.070 254 I CA 1.909 63.031 61.300 -0.296 0.000 1.327 254 I CB -1.730 35.884 38.000 -0.642 0.000 1.034 254 I HN 0.168 nan 8.210 nan 0.000 0.405 255 P HA -0.168 nan 4.420 nan 0.000 0.222 255 P C 1.298 178.475 177.300 -0.206 0.000 1.147 255 P CA 1.213 64.130 63.100 -0.304 0.000 0.790 255 P CB 0.080 31.680 31.700 -0.166 0.000 0.780 256 E N -0.352 119.742 120.200 -0.178 0.000 2.170 256 E HA -0.049 4.301 4.350 0.001 0.000 0.191 256 E C 1.378 177.871 176.600 -0.178 0.000 0.981 256 E CA 1.065 57.370 56.400 -0.159 0.000 0.830 256 E CB -0.525 29.095 29.700 -0.133 0.000 0.775 256 E HN 0.112 nan 8.360 nan 0.000 0.470 257 N N -0.877 117.705 118.700 -0.197 0.000 2.205 257 N HA 0.046 4.786 4.740 0.001 0.000 0.201 257 N C -0.918 174.220 175.510 -0.619 0.000 1.128 257 N CA 0.141 52.979 53.050 -0.354 0.000 0.867 257 N CB 0.873 39.146 38.487 -0.357 0.000 0.996 257 N HN 0.098 nan 8.380 nan 0.000 0.503 258 Y N -0.167 120.017 120.300 -0.193 0.000 2.396 258 Y HA 0.518 5.069 4.550 0.001 0.000 0.332 258 Y C 0.628 176.412 175.900 -0.195 0.000 1.034 258 Y CA -0.995 56.995 58.100 -0.184 0.000 1.057 258 Y CB 1.869 40.188 38.460 -0.236 0.000 1.220 258 Y HN -0.169 nan 8.280 nan 0.000 0.440 259 G N 0.473 109.270 108.800 -0.004 0.000 2.705 259 G HA2 0.601 4.561 3.960 0.001 0.000 0.299 259 G HA3 0.601 4.561 3.960 0.001 0.000 0.299 259 G C -1.080 173.809 174.900 -0.018 0.000 1.315 259 G CA -0.728 44.348 45.100 -0.040 0.000 1.045 259 G HN 0.489 nan 8.290 nan 0.000 0.517 260 S N -1.987 113.698 115.700 -0.025 0.000 2.595 260 S HA 0.415 4.885 4.470 0.001 0.000 0.281 260 S C 0.012 174.611 174.600 -0.002 0.000 1.117 260 S CA -0.042 58.151 58.200 -0.011 0.000 0.873 260 S CB 1.876 65.063 63.200 -0.020 0.000 1.108 260 S HN 0.639 nan 8.310 nan 0.000 0.477 261 D N 1.762 122.168 120.400 0.010 0.000 2.349 261 D HA 0.121 4.762 4.640 0.001 0.000 0.215 261 D C 0.867 177.175 176.300 0.014 0.000 1.016 261 D CA 0.442 54.449 54.000 0.011 0.000 0.870 261 D CB 0.067 40.878 40.800 0.018 0.000 0.917 261 D HN 0.329 nan 8.370 nan 0.000 0.524 262 N N -0.332 118.378 118.700 0.017 0.000 2.830 262 N HA 0.096 4.837 4.740 0.001 0.000 0.232 262 N C -0.880 174.646 175.510 0.027 0.000 1.062 262 N CA 0.412 53.477 53.050 0.025 0.000 1.204 262 N CB 0.702 39.211 38.487 0.037 0.000 1.589 262 N HN -0.078 nan 8.380 nan 0.000 0.604 263 V N 1.526 121.460 119.914 0.033 0.000 2.376 263 V HA 0.418 4.539 4.120 0.001 0.000 0.287 263 V C -0.820 175.291 176.094 0.028 0.000 1.015 263 V CA -0.705 61.620 62.300 0.043 0.000 0.834 263 V CB 0.968 32.839 31.823 0.081 0.000 1.001 263 V HN 0.271 nan 8.190 nan 0.000 0.428 264 T N 4.895 119.455 114.554 0.010 0.000 2.743 264 T HA 0.325 4.675 4.350 0.001 0.000 0.293 264 T C -0.630 174.072 174.700 0.003 0.000 0.945 264 T CA 0.026 62.117 62.100 -0.015 0.000 1.030 264 T CB 0.316 69.156 68.868 -0.046 0.000 0.912 264 T HN 0.520 nan 8.240 nan 0.000 0.483 265 Y N 5.013 125.235 120.300 -0.130 0.000 2.594 265 Y HA 0.314 4.865 4.550 0.001 0.000 0.342 265 Y C 0.215 176.021 175.900 -0.158 0.000 1.010 265 Y CA -1.454 56.575 58.100 -0.118 0.000 1.270 265 Y CB -0.152 38.271 38.460 -0.062 0.000 1.125 265 Y HN 0.701 nan 8.280 nan 0.000 0.513 266 D N 4.925 125.111 120.400 -0.357 0.000 2.387 266 D HA 0.350 4.991 4.640 0.001 0.000 0.255 266 D C -2.198 173.906 176.300 -0.326 0.000 1.081 266 D CA -2.353 51.480 54.000 -0.279 0.000 0.994 266 D CB 1.012 41.688 40.800 -0.206 0.000 1.127 266 D HN 0.185 nan 8.370 nan 0.000 0.513 267 P HA -0.274 nan 4.420 nan 0.000 0.216 267 P C 1.491 178.667 177.300 -0.208 0.000 1.157 267 P CA 2.543 65.527 63.100 -0.193 0.000 0.880 267 P CB -0.157 31.448 31.700 -0.160 0.000 0.791 268 S N -1.110 114.469 115.700 -0.201 0.000 2.387 268 S HA -0.244 4.226 4.470 0.001 0.000 0.230 268 S C 1.749 176.219 174.600 -0.216 0.000 1.035 268 S CA 1.771 59.865 58.200 -0.177 0.000 1.014 268 S CB -1.438 61.673 63.200 -0.149 0.000 0.836 268 S HN 0.102 nan 8.310 nan 0.000 0.466 269 D N 1.504 121.693 120.400 -0.351 0.000 2.092 269 D HA -0.066 4.574 4.640 0.001 0.000 0.193 269 D C 1.947 178.062 176.300 -0.307 0.000 0.994 269 D CA 1.297 55.013 54.000 -0.473 0.000 0.828 269 D CB -0.543 39.616 40.800 -1.068 0.000 0.963 269 D HN 0.396 nan 8.370 nan 0.000 0.450 270 L N 0.961 122.029 121.223 -0.259 0.000 2.046 270 L HA -0.118 4.222 4.340 0.001 0.000 0.208 270 L C 2.279 179.128 176.870 -0.035 0.000 1.077 270 L CA 1.208 56.052 54.840 0.006 0.000 0.747 270 L CB -0.363 41.738 42.059 0.070 0.000 0.896 270 L HN -0.013 nan 8.230 nan 0.000 0.432 271 I N -0.634 119.881 120.570 -0.091 0.000 2.163 271 I HA -0.343 3.827 4.170 0.001 0.000 0.243 271 I C 2.573 178.660 176.117 -0.050 0.000 1.085 271 I CA 1.564 62.817 61.300 -0.078 0.000 1.347 271 I CB -0.461 37.481 38.000 -0.097 0.000 1.044 271 I HN 0.274 nan 8.210 nan 0.000 0.408 272 K N 0.890 121.254 120.400 -0.061 0.000 2.009 272 K HA -0.253 4.067 4.320 0.001 0.000 0.210 272 K C 2.212 178.803 176.600 -0.015 0.000 1.049 272 K CA 1.750 58.012 56.287 -0.042 0.000 0.929 272 K CB -0.253 32.213 32.500 -0.058 0.000 0.714 272 K HN 0.097 nan 8.250 nan 0.000 0.440 273 L N 1.242 122.462 121.223 -0.005 0.000 2.079 273 L HA -0.146 4.194 4.340 0.001 0.000 0.210 273 L C 1.761 178.650 176.870 0.032 0.000 1.081 273 L CA 1.628 56.482 54.840 0.023 0.000 0.752 273 L CB -0.134 41.957 42.059 0.053 0.000 0.896 273 L HN 0.232 nan 8.230 nan 0.000 0.433 274 L N -2.149 119.094 121.223 0.033 0.000 2.567 274 L HA 0.080 4.421 4.340 0.001 0.000 0.225 274 L C 1.893 178.782 176.870 0.031 0.000 1.119 274 L CA 0.273 55.145 54.840 0.053 0.000 0.871 274 L CB -0.167 41.950 42.059 0.098 0.000 1.036 274 L HN 0.111 nan 8.230 nan 0.000 0.459 275 S N -0.769 114.937 115.700 0.009 0.000 2.527 275 S HA 0.224 4.694 4.470 0.001 0.000 0.227 275 S C 1.721 176.310 174.600 -0.018 0.000 1.059 275 S CA 0.017 58.212 58.200 -0.008 0.000 0.919 275 S CB 0.625 63.815 63.200 -0.016 0.000 0.805 275 S HN 0.141 nan 8.310 nan 0.000 0.500 276 I N 1.571 122.138 120.570 -0.006 0.000 2.899 276 I HA 0.135 4.305 4.170 0.001 0.000 0.257 276 I C -1.232 174.890 176.117 0.009 0.000 1.115 276 I CA 0.068 61.367 61.300 -0.001 0.000 1.451 276 I CB -2.441 35.564 38.000 0.008 0.000 1.251 276 I HN 0.040 nan 8.210 nan 0.000 0.456 277 P HA -0.126 nan 4.420 nan 0.000 0.216 277 P C 1.083 178.398 177.300 0.025 0.000 1.153 277 P CA 2.468 65.592 63.100 0.040 0.000 0.858 277 P CB 0.012 31.746 31.700 0.056 0.000 0.789 278 G N -1.767 107.032 108.800 -0.001 0.000 2.148 278 G HA2 -0.280 3.680 3.960 0.001 0.000 0.254 278 G HA3 -0.280 3.680 3.960 0.001 0.000 0.254 278 G C 0.425 175.301 174.900 -0.041 0.000 0.981 278 G CA 0.473 45.556 45.100 -0.028 0.000 0.670 278 G HN 0.346 nan 8.290 nan 0.000 0.528 279 R N -1.787 118.694 120.500 -0.032 0.000 3.361 279 R HA 0.698 5.038 4.340 0.001 0.000 0.188 279 R C -0.294 175.938 176.300 -0.115 0.000 1.441 279 R CA -0.989 55.064 56.100 -0.078 0.000 0.810 279 R CB 0.227 30.564 30.300 0.062 0.000 1.658 279 R HN 0.059 nan 8.270 nan 0.000 0.483 280 F N 1.491 121.467 119.950 0.044 0.000 2.443 280 F HA 0.345 4.873 4.527 0.001 0.000 0.353 280 F C 0.202 176.011 175.800 0.017 0.000 1.101 280 F CA -0.085 57.950 58.000 0.059 0.000 1.226 280 F CB 0.746 39.812 39.000 0.110 0.000 1.140 280 F HN 0.112 nan 8.300 nan 0.000 0.557 281 L N 2.558 123.890 121.223 0.182 0.000 2.370 281 L HA 0.740 5.080 4.340 0.001 0.000 0.266 281 L C -0.584 176.267 176.870 -0.032 0.000 1.002 281 L CA -0.089 54.780 54.840 0.049 0.000 0.818 281 L CB 2.413 44.500 42.059 0.048 0.000 1.325 281 L HN 0.615 nan 8.230 nan 0.000 0.418 282 T N 3.702 118.184 114.554 -0.120 0.000 2.883 282 T HA 0.706 5.057 4.350 0.001 0.000 0.301 282 T C -1.333 173.322 174.700 -0.075 0.000 1.158 282 T CA -0.385 61.647 62.100 -0.113 0.000 1.007 282 T CB 1.210 69.844 68.868 -0.390 0.000 1.186 282 T HN 0.455 nan 8.240 nan 0.000 0.499 283 I N 1.836 122.321 120.570 -0.142 0.000 2.619 283 I HA 0.597 4.767 4.170 0.001 0.000 0.292 283 I C 0.347 176.443 176.117 -0.035 0.000 1.100 283 I CA -0.955 60.193 61.300 -0.253 0.000 1.043 283 I CB 2.409 39.988 38.000 -0.701 0.000 1.239 283 I HN 0.750 nan 8.210 nan 0.000 0.420 284 G N 4.002 112.801 108.800 -0.001 0.000 2.417 284 G HA2 0.516 4.477 3.960 0.001 0.000 0.320 284 G HA3 0.516 4.477 3.960 0.001 0.000 0.320 284 G C -1.094 173.791 174.900 -0.025 0.000 1.204 284 G CA -0.528 44.603 45.100 0.052 0.000 0.923 284 G HN 0.559 nan 8.290 nan 0.000 0.466 285 K N 1.673 122.079 120.400 0.010 0.000 2.316 285 K HA 0.639 4.960 4.320 0.001 0.000 0.267 285 K C -0.393 176.143 176.600 -0.107 0.000 1.025 285 K CA -0.603 55.583 56.287 -0.168 0.000 0.896 285 K CB 1.141 33.577 32.500 -0.107 0.000 1.124 285 K HN 0.488 nan 8.250 nan 0.000 0.451 286 A N 5.352 128.074 122.820 -0.165 0.000 2.291 286 A HA 0.432 4.752 4.320 0.001 0.000 0.311 286 A C -0.605 176.948 177.584 -0.052 0.000 1.224 286 A CA -0.852 51.148 52.037 -0.061 0.000 0.821 286 A CB 0.664 19.657 19.000 -0.011 0.000 1.172 286 A HN 0.835 nan 8.150 nan 0.000 0.494 287 R N 1.252 121.739 120.500 -0.021 0.000 2.438 287 R HA 0.456 4.797 4.340 0.001 0.000 0.287 287 R C -0.999 175.341 176.300 0.066 0.000 1.077 287 R CA 0.097 56.201 56.100 0.007 0.000 1.034 287 R CB 0.607 30.849 30.300 -0.097 0.000 0.993 287 R HN 0.689 nan 8.270 nan 0.000 0.459 288 I N 1.542 122.224 120.570 0.187 0.000 2.448 288 I HA 0.284 4.454 4.170 0.001 0.000 0.281 288 I C 0.570 176.835 176.117 0.246 0.000 1.027 288 I CA -0.356 61.094 61.300 0.251 0.000 1.111 288 I CB 1.919 40.181 38.000 0.436 0.000 1.236 288 I HN 0.636 nan 8.210 nan 0.000 0.452 289 A N 5.417 128.237 122.820 -0.001 0.000 1.844 289 A HA 0.159 4.479 4.320 0.001 0.000 0.212 289 A C 1.177 178.469 177.584 -0.487 0.000 1.221 289 A CA 0.617 52.532 52.037 -0.203 0.000 0.607 289 A CB -0.029 18.863 19.000 -0.180 0.000 0.878 289 A HN 0.627 nan 8.150 nan 0.000 0.451 290 K N 1.076 121.310 120.400 -0.275 0.000 2.351 290 K HA 0.114 4.434 4.320 0.001 0.000 0.287 290 K C -1.277 175.169 176.600 -0.258 0.000 1.068 290 K CA -0.174 55.933 56.287 -0.300 0.000 0.998 290 K CB -0.092 32.316 32.500 -0.152 0.000 0.968 290 K HN 0.316 nan 8.250 nan 0.000 0.464 291 F N 4.133 123.825 119.950 -0.429 0.000 2.669 291 F HA 0.070 4.598 4.527 0.001 0.000 0.353 291 F C 0.509 175.582 175.800 -1.212 0.000 1.192 291 F CA -1.190 56.138 58.000 -1.121 0.000 1.317 291 F CB -0.508 37.827 39.000 -1.108 0.000 1.652 291 F HN 0.373 nan 8.300 nan 0.000 0.608 292 D N -0.124 120.018 120.400 -0.429 0.000 2.757 292 D HA 0.182 4.822 4.640 0.001 0.000 0.249 292 D C 1.034 177.476 176.300 0.237 0.000 1.168 292 D CA -0.505 53.462 54.000 -0.054 0.000 0.870 292 D CB 1.685 42.493 40.800 0.012 0.000 1.411 292 D HN 0.140 nan 8.370 nan 0.000 0.525 293 L N 1.013 122.515 121.223 0.465 0.000 2.095 293 L HA -0.371 3.970 4.340 0.001 0.000 0.229 293 L C 2.420 179.475 176.870 0.309 0.000 1.097 293 L CA 1.994 57.067 54.840 0.387 0.000 0.813 293 L CB -0.837 41.348 42.059 0.210 0.000 0.907 293 L HN 0.697 nan 8.230 nan 0.000 0.445 294 H N -0.470 118.673 119.070 0.122 0.000 2.290 294 H HA -0.195 4.362 4.556 0.001 0.000 0.298 294 H C 2.470 177.841 175.328 0.073 0.000 1.087 294 H CA 1.728 57.821 56.048 0.076 0.000 1.291 294 H CB 0.210 30.001 29.762 0.047 0.000 1.369 294 H HN 0.489 nan 8.280 nan 0.000 0.492 295 S N 0.377 116.124 115.700 0.079 0.000 2.447 295 S HA -0.122 4.349 4.470 0.001 0.000 0.233 295 S C 2.149 176.791 174.600 0.070 0.000 1.006 295 S CA 0.931 59.126 58.200 -0.008 0.000 0.957 295 S CB -0.399 62.790 63.200 -0.018 0.000 0.773 295 S HN 0.378 nan 8.310 nan 0.000 0.507 296 L N 2.053 123.377 121.223 0.167 0.000 1.976 296 L HA 0.004 4.345 4.340 0.001 0.000 0.209 296 L C 2.595 179.556 176.870 0.152 0.000 1.071 296 L CA 2.416 57.392 54.840 0.226 0.000 0.746 296 L CB -1.004 41.270 42.059 0.358 0.000 0.890 296 L HN 0.447 nan 8.230 nan 0.000 0.432 297 E N -0.404 119.881 120.200 0.141 0.000 2.086 297 E HA -0.304 4.046 4.350 0.001 0.000 0.200 297 E C 1.961 178.599 176.600 0.062 0.000 1.012 297 E CA 2.052 58.514 56.400 0.104 0.000 0.812 297 E CB -0.275 29.505 29.700 0.132 0.000 0.743 297 E HN 0.712 nan 8.360 nan 0.000 0.453 298 N N -0.365 118.345 118.700 0.016 0.000 2.106 298 N HA -0.133 4.607 4.740 0.001 0.000 0.188 298 N C 2.092 177.604 175.510 0.004 0.000 1.029 298 N CA 1.445 54.480 53.050 -0.026 0.000 0.848 298 N CB -0.077 38.341 38.487 -0.114 0.000 1.007 298 N HN 0.202 nan 8.380 nan 0.000 0.423 299 S N 0.873 116.585 115.700 0.021 0.000 2.428 299 S HA 0.006 4.477 4.470 0.001 0.000 0.230 299 S C 1.968 176.588 174.600 0.032 0.000 1.014 299 S CA 0.352 58.567 58.200 0.026 0.000 0.957 299 S CB -0.431 62.791 63.200 0.036 0.000 0.784 299 S HN 0.214 nan 8.310 nan 0.000 0.499 300 I N 1.858 122.454 120.570 0.044 0.000 2.142 300 I HA -0.195 3.976 4.170 0.001 0.000 0.240 300 I C 2.746 178.871 176.117 0.014 0.000 1.078 300 I CA 1.464 62.779 61.300 0.024 0.000 1.343 300 I CB -0.274 37.743 38.000 0.028 0.000 1.046 300 I HN 0.258 nan 8.210 nan 0.000 0.405 301 K N 0.216 120.652 120.400 0.061 0.000 2.044 301 K HA -0.246 4.074 4.320 0.001 0.000 0.210 301 K C 2.306 178.948 176.600 0.071 0.000 1.049 301 K CA 1.515 57.871 56.287 0.115 0.000 0.927 301 K CB -0.264 32.308 32.500 0.120 0.000 0.713 301 K HN 0.202 nan 8.250 nan 0.000 0.443 302 R N 0.883 121.407 120.500 0.040 0.000 2.081 302 R HA -0.145 4.196 4.340 0.001 0.000 0.235 302 R C 2.533 178.855 176.300 0.037 0.000 1.131 302 R CA 2.008 58.126 56.100 0.029 0.000 0.960 302 R CB -0.180 30.125 30.300 0.009 0.000 0.856 302 R HN 0.283 nan 8.270 nan 0.000 0.436 303 S N 0.069 115.791 115.700 0.036 0.000 2.399 303 S HA -0.111 4.360 4.470 0.001 0.000 0.231 303 S C 1.975 176.628 174.600 0.088 0.000 1.022 303 S CA 0.989 59.225 58.200 0.061 0.000 0.983 303 S CB -0.317 62.908 63.200 0.041 0.000 0.803 303 S HN 0.329 nan 8.310 nan 0.000 0.480 304 L N 0.783 122.024 121.223 0.029 0.000 2.162 304 L HA 0.071 4.412 4.340 0.001 0.000 0.205 304 L C 2.224 179.204 176.870 0.184 0.000 1.086 304 L CA 1.185 56.052 54.840 0.044 0.000 0.778 304 L CB -0.385 41.459 42.059 -0.359 0.000 0.928 304 L HN 0.271 nan 8.230 nan 0.000 0.446 305 D N -0.204 120.278 120.400 0.137 0.000 2.262 305 D HA -0.029 4.612 4.640 0.001 0.000 0.212 305 D C 0.718 177.083 176.300 0.109 0.000 0.964 305 D CA 0.885 54.989 54.000 0.175 0.000 0.875 305 D CB 0.428 41.316 40.800 0.147 0.000 0.996 305 D HN 0.353 nan 8.370 nan 0.000 0.497 306 E N 0.336 120.572 120.200 0.060 0.000 3.575 306 E HA 0.372 4.723 4.350 0.001 0.000 0.201 306 E C 0.159 176.731 176.600 -0.046 0.000 0.999 306 E CA -0.376 56.020 56.400 -0.008 0.000 1.315 306 E CB 1.515 31.198 29.700 -0.028 0.000 1.146 306 E HN -0.008 nan 8.360 nan 0.000 0.453 307 G N -0.610 108.199 108.800 0.016 0.000 2.667 307 G HA2 0.305 4.265 3.960 0.001 0.000 0.310 307 G HA3 0.305 4.265 3.960 0.001 0.000 0.310 307 G C 0.036 174.939 174.900 0.005 0.000 1.259 307 G CA -0.627 44.494 45.100 0.036 0.000 1.019 307 G HN 0.093 nan 8.290 nan 0.000 0.496 308 F N -1.136 118.872 119.950 0.096 0.000 2.365 308 F HA 0.129 4.656 4.527 0.001 0.000 0.300 308 F C 1.701 177.402 175.800 -0.166 0.000 1.090 308 F CA 0.953 58.915 58.000 -0.064 0.000 1.408 308 F CB -0.014 38.890 39.000 -0.160 0.000 1.060 308 F HN 0.237 nan 8.300 nan 0.000 0.534 309 F N -0.408 119.704 119.950 0.270 0.000 2.664 309 F HA 0.157 4.684 4.527 0.001 0.000 0.303 309 F C 0.995 176.945 175.800 0.249 0.000 1.092 309 F CA -0.527 57.616 58.000 0.237 0.000 1.305 309 F CB -0.451 38.675 39.000 0.210 0.000 1.054 309 F HN -0.281 nan 8.300 nan 0.000 0.565 310 S N 0.505 116.394 115.700 0.315 0.000 2.554 310 S HA 0.757 5.227 4.470 0.001 0.000 0.278 310 S C 0.186 174.860 174.600 0.123 0.000 1.242 310 S CA -0.279 58.092 58.200 0.285 0.000 1.051 310 S CB 1.996 65.337 63.200 0.234 0.000 0.986 310 S HN 0.171 nan 8.310 nan 0.000 0.502 311 A N 1.620 124.445 122.820 0.009 0.000 3.368 311 A HA 0.517 4.838 4.320 0.001 0.000 0.211 311 A C -0.078 177.348 177.584 -0.263 0.000 1.004 311 A CA -0.711 51.223 52.037 -0.172 0.000 1.059 311 A CB -0.819 18.024 19.000 -0.261 0.000 1.298 311 A HN 0.929 nan 8.150 nan 0.000 0.613 312 E N 1.494 121.641 120.200 -0.088 0.000 2.183 312 E HA -0.209 4.141 4.350 0.001 0.000 0.196 312 E C -0.165 176.339 176.600 -0.161 0.000 1.364 312 E CA 0.685 57.057 56.400 -0.047 0.000 0.700 312 E CB -1.356 28.313 29.700 -0.052 0.000 1.106 312 E HN 0.797 nan 8.360 nan 0.000 0.347 313 H N 0.829 119.770 119.070 -0.215 0.000 2.771 313 H HA 0.072 4.628 4.556 0.001 0.000 0.364 313 H C 0.815 175.838 175.328 -0.510 0.000 1.133 313 H CA 0.408 56.158 56.048 -0.495 0.000 1.423 313 H CB 0.648 29.898 29.762 -0.854 0.000 1.425 313 H HN 0.307 nan 8.280 nan 0.000 0.606 314 Q N 3.231 122.890 119.800 -0.234 0.000 2.681 314 Q HA 0.061 4.402 4.340 0.001 0.000 0.222 314 Q C 0.537 176.462 176.000 -0.125 0.000 1.258 314 Q CA -0.330 55.402 55.803 -0.118 0.000 1.014 314 Q CB 0.055 28.754 28.738 -0.066 0.000 1.384 314 Q HN 0.554 nan 8.270 nan 0.000 0.570 315 F N 1.485 121.421 119.950 -0.023 0.000 2.202 315 F HA -0.228 4.299 4.527 0.001 0.000 0.301 315 F C 2.374 178.093 175.800 -0.135 0.000 1.082 315 F CA 1.086 58.992 58.000 -0.156 0.000 1.313 315 F CB 0.138 39.017 39.000 -0.200 0.000 1.024 315 F HN 0.493 nan 8.300 nan 0.000 0.495 316 E N 0.360 120.619 120.200 0.098 0.000 2.511 316 E HA -0.112 4.239 4.350 0.001 0.000 0.196 316 E C 1.433 178.066 176.600 0.056 0.000 1.066 316 E CA 1.424 57.859 56.400 0.058 0.000 0.871 316 E CB -1.107 28.618 29.700 0.041 0.000 0.863 316 E HN 0.473 nan 8.360 nan 0.000 0.520 317 T N -1.925 112.659 114.554 0.049 0.000 3.107 317 T HA 0.440 4.791 4.350 0.001 0.000 0.249 317 T C 0.901 175.653 174.700 0.085 0.000 1.096 317 T CA 0.067 62.202 62.100 0.058 0.000 1.012 317 T CB 0.099 68.995 68.868 0.046 0.000 0.977 317 T HN 0.266 nan 8.240 nan 0.000 0.527 318 A N 2.020 124.900 122.820 0.101 0.000 2.488 318 A HA 0.469 4.790 4.320 0.001 0.000 0.249 318 A C 1.514 179.210 177.584 0.187 0.000 1.083 318 A CA 0.199 52.339 52.037 0.171 0.000 0.768 318 A CB 0.151 19.310 19.000 0.266 0.000 1.017 318 A HN 0.544 nan 8.150 nan 0.000 0.496 319 T N -0.052 114.610 114.554 0.180 0.000 3.023 319 T HA 0.469 4.820 4.350 0.001 0.000 0.253 319 T C 0.239 175.050 174.700 0.185 0.000 1.038 319 T CA 0.429 62.624 62.100 0.159 0.000 0.962 319 T CB -0.272 68.667 68.868 0.118 0.000 1.018 319 T HN 0.665 nan 8.240 nan 0.000 0.521 320 M N 1.139 120.878 119.600 0.231 0.000 2.426 320 M HA 0.532 5.013 4.480 0.001 0.000 0.289 320 M C -2.189 174.279 176.300 0.280 0.000 1.168 320 M CA -1.079 54.352 55.300 0.219 0.000 0.933 320 M CB 2.140 34.809 32.600 0.115 0.000 1.750 320 M HN 0.342 nan 8.290 nan 0.000 0.494 321 Y N 1.421 121.767 120.300 0.077 0.000 2.634 321 Y HA 1.048 5.598 4.550 0.001 0.000 0.340 321 Y C -0.515 175.361 175.900 -0.040 0.000 1.058 321 Y CA -0.395 57.661 58.100 -0.074 0.000 1.081 321 Y CB 1.920 40.276 38.460 -0.173 0.000 1.295 321 Y HN 0.783 nan 8.280 nan 0.000 0.487 322 G N -0.823 107.869 108.800 -0.180 0.000 2.550 322 G HA2 0.649 4.609 3.960 0.001 0.000 0.293 322 G HA3 0.649 4.609 3.960 0.001 0.000 0.293 322 G C -0.755 173.933 174.900 -0.353 0.000 1.402 322 G CA -0.339 44.606 45.100 -0.258 0.000 0.784 322 G HN 1.877 nan 8.290 nan 0.000 0.482 323 G N -1.903 106.330 108.800 -0.944 0.000 2.347 323 G HA2 0.638 4.598 3.960 0.001 0.000 0.341 323 G HA3 0.638 4.598 3.960 0.001 0.000 0.341 323 G C -1.132 172.774 174.900 -1.658 0.000 1.287 323 G CA 0.177 44.571 45.100 -1.177 0.000 0.984 323 G HN 2.140 nan 8.290 nan 0.000 0.526 324 F N -2.577 116.583 119.950 -1.316 0.000 2.703 324 F HA 0.717 5.245 4.527 0.001 0.000 0.308 324 F C -0.723 174.687 175.800 -0.650 0.000 1.126 324 F CA -1.295 55.945 58.000 -1.267 0.000 0.959 324 F CB 1.497 40.068 39.000 -0.715 0.000 1.297 324 F HN 0.944 nan 8.300 nan 0.000 0.441 325 V N 3.605 123.390 119.914 -0.215 0.000 2.328 325 V HA 0.590 4.710 4.120 0.001 0.000 0.278 325 V C -1.046 174.928 176.094 -0.199 0.000 1.021 325 V CA -0.691 61.564 62.300 -0.075 0.000 0.838 325 V CB 1.082 32.891 31.823 -0.023 0.000 0.999 325 V HN 0.804 nan 8.190 nan 0.000 0.447 326 L N 9.163 130.251 121.223 -0.225 0.000 2.342 326 L HA 0.508 4.848 4.340 0.001 0.000 0.285 326 L C 0.456 177.010 176.870 -0.526 0.000 1.095 326 L CA 0.475 54.999 54.840 -0.526 0.000 0.843 326 L CB 0.229 41.778 42.059 -0.850 0.000 1.201 326 L HN 0.842 nan 8.230 nan 0.000 0.445 327 R N 4.942 125.217 120.500 -0.375 0.000 2.828 327 R HA 0.835 5.175 4.340 0.001 0.000 0.264 327 R C -2.815 173.597 176.300 0.187 0.000 1.022 327 R CA -2.082 53.856 56.100 -0.270 0.000 1.021 327 R CB 0.973 30.965 30.300 -0.514 0.000 1.163 327 R HN 0.276 nan 8.270 nan 0.000 0.494 328 P HA 0.275 nan 4.420 nan 0.000 0.287 328 P C -0.218 177.170 177.300 0.146 0.000 1.270 328 P CA -0.730 62.482 63.100 0.187 0.000 0.844 328 P CB 1.745 33.522 31.700 0.128 0.000 1.068 329 S N 1.164 116.928 115.700 0.108 0.000 2.353 329 S HA -0.164 4.307 4.470 0.001 0.000 0.222 329 S C 1.612 176.266 174.600 0.092 0.000 1.035 329 S CA 1.672 59.928 58.200 0.093 0.000 1.025 329 S CB -1.037 62.206 63.200 0.072 0.000 0.902 329 S HN 0.652 nan 8.310 nan 0.000 0.440 330 N N 2.467 121.220 118.700 0.087 0.000 2.223 330 N HA -0.049 4.692 4.740 0.001 0.000 0.185 330 N C 0.796 176.367 175.510 0.101 0.000 1.016 330 N CA 0.773 53.875 53.050 0.085 0.000 0.863 330 N CB -0.429 38.106 38.487 0.081 0.000 0.983 330 N HN 0.325 nan 8.380 nan 0.000 0.429 331 A N 1.889 124.785 122.820 0.127 0.000 2.512 331 A HA -0.081 4.239 4.320 0.001 0.000 0.278 331 A C 0.887 178.525 177.584 0.091 0.000 1.128 331 A CA 0.020 52.122 52.037 0.108 0.000 0.818 331 A CB -0.242 18.838 19.000 0.132 0.000 1.044 331 A HN 0.204 nan 8.150 nan 0.000 0.526 332 D N 2.058 122.499 120.400 0.068 0.000 2.178 332 D HA -0.153 4.488 4.640 0.001 0.000 0.202 332 D C 1.340 177.650 176.300 0.016 0.000 0.974 332 D CA 1.082 55.115 54.000 0.055 0.000 0.841 332 D CB -0.036 40.803 40.800 0.063 0.000 0.953 332 D HN 0.684 nan 8.370 nan 0.000 0.478 333 F N 0.524 120.322 119.950 -0.255 0.000 2.154 333 F HA -0.202 4.326 4.527 0.001 0.000 0.301 333 F C 1.358 176.868 175.800 -0.482 0.000 1.087 333 F CA 1.310 59.033 58.000 -0.462 0.000 1.274 333 F CB -0.409 38.084 39.000 -0.845 0.000 1.009 333 F HN -0.115 nan 8.300 nan 0.000 0.485 334 F N -0.187 119.713 119.950 -0.083 0.000 2.713 334 F HA 0.197 4.724 4.527 0.001 0.000 0.294 334 F C 1.376 177.130 175.800 -0.075 0.000 1.152 334 F CA -0.077 57.853 58.000 -0.117 0.000 1.385 334 F CB -0.199 38.770 39.000 -0.051 0.000 0.981 334 F HN -0.173 nan 8.300 nan 0.000 0.514 335 K N -0.899 119.519 120.400 0.029 0.000 2.391 335 K HA 0.037 4.358 4.320 0.001 0.000 0.197 335 K C 0.042 176.620 176.600 -0.038 0.000 1.087 335 K CA -0.136 56.162 56.287 0.018 0.000 1.012 335 K CB 0.383 32.901 32.500 0.030 0.000 0.925 335 K HN -0.065 nan 8.250 nan 0.000 0.547 336 D N 1.244 121.573 120.400 -0.117 0.000 2.382 336 D HA -0.048 4.593 4.640 0.001 0.000 0.259 336 D C 1.197 177.405 176.300 -0.153 0.000 1.224 336 D CA -0.109 53.800 54.000 -0.152 0.000 0.894 336 D CB 1.382 42.031 40.800 -0.252 0.000 1.127 336 D HN -0.030 nan 8.370 nan 0.000 0.487 337 V N 1.954 121.815 119.914 -0.087 0.000 2.809 337 V HA -0.119 4.001 4.120 0.001 0.000 0.256 337 V C 1.574 177.621 176.094 -0.079 0.000 1.080 337 V CA 0.983 63.246 62.300 -0.062 0.000 1.102 337 V CB -0.696 31.110 31.823 -0.028 0.000 0.705 337 V HN 0.342 nan 8.190 nan 0.000 0.475 338 N N 1.122 119.762 118.700 -0.100 0.000 2.348 338 N HA -0.113 4.627 4.740 0.001 0.000 0.185 338 N C 1.731 177.153 175.510 -0.147 0.000 1.019 338 N CA 1.920 54.910 53.050 -0.099 0.000 0.880 338 N CB -0.562 37.874 38.487 -0.085 0.000 0.965 338 N HN 0.601 nan 8.380 nan 0.000 0.437 339 T N 0.061 114.464 114.554 -0.252 0.000 2.896 339 T HA 0.013 4.363 4.350 0.001 0.000 0.263 339 T C 1.530 176.160 174.700 -0.117 0.000 1.050 339 T CA 0.732 62.628 62.100 -0.340 0.000 1.140 339 T CB 0.018 68.432 68.868 -0.756 0.000 0.877 339 T HN 0.300 nan 8.240 nan 0.000 0.457 340 E N 1.369 121.533 120.200 -0.060 0.000 2.017 340 E HA -0.139 4.212 4.350 0.001 0.000 0.193 340 E C 2.204 178.789 176.600 -0.026 0.000 0.997 340 E CA 1.149 57.550 56.400 0.002 0.000 0.804 340 E CB -0.195 29.522 29.700 0.028 0.000 0.757 340 E HN 0.330 nan 8.360 nan 0.000 0.448 341 N N 0.519 119.199 118.700 -0.033 0.000 2.182 341 N HA -0.225 4.516 4.740 0.001 0.000 0.192 341 N C 1.656 177.147 175.510 -0.033 0.000 1.007 341 N CA 1.176 54.206 53.050 -0.032 0.000 0.873 341 N CB -0.151 38.317 38.487 -0.030 0.000 0.998 341 N HN -0.037 nan 8.380 nan 0.000 0.436 342 R N 0.905 121.387 120.500 -0.029 0.000 2.073 342 R HA 0.150 4.490 4.340 0.001 0.000 0.229 342 R C 1.882 178.173 176.300 -0.015 0.000 1.120 342 R CA 0.986 57.083 56.100 -0.005 0.000 0.967 342 R CB -0.730 29.585 30.300 0.024 0.000 0.862 342 R HN 0.283 nan 8.270 nan 0.000 0.436 343 I N 0.116 120.664 120.570 -0.037 0.000 2.163 343 I HA -0.295 3.876 4.170 0.001 0.000 0.243 343 I C 2.678 178.695 176.117 -0.167 0.000 1.085 343 I CA 1.535 62.766 61.300 -0.116 0.000 1.347 343 I CB -0.347 37.550 38.000 -0.171 0.000 1.044 343 I HN 0.203 nan 8.210 nan 0.000 0.408 344 R N 0.931 121.349 120.500 -0.136 0.000 2.088 344 R HA -0.197 4.143 4.340 0.001 0.000 0.232 344 R C 2.196 178.441 176.300 -0.092 0.000 1.136 344 R CA 2.149 58.170 56.100 -0.130 0.000 0.926 344 R CB -0.234 30.021 30.300 -0.075 0.000 0.837 344 R HN 0.368 nan 8.270 nan 0.000 0.429 345 N N -0.341 118.324 118.700 -0.058 0.000 2.166 345 N HA -0.112 4.628 4.740 0.001 0.000 0.186 345 N C 1.681 177.174 175.510 -0.030 0.000 1.019 345 N CA 1.784 54.809 53.050 -0.041 0.000 0.856 345 N CB -0.606 37.863 38.487 -0.031 0.000 0.993 345 N HN 0.273 nan 8.380 nan 0.000 0.426 346 T N 2.035 116.580 114.554 -0.014 0.000 2.674 346 T HA -0.019 4.332 4.350 0.001 0.000 0.265 346 T C 2.117 176.883 174.700 0.111 0.000 1.039 346 T CA 0.761 62.879 62.100 0.032 0.000 1.150 346 T CB -0.332 68.562 68.868 0.044 0.000 0.864 346 T HN 0.150 nan 8.240 nan 0.000 0.427 347 L N 0.798 122.059 121.223 0.064 0.000 2.131 347 L HA 0.004 4.344 4.340 0.001 0.000 0.210 347 L C 3.024 179.993 176.870 0.165 0.000 1.092 347 L CA 1.196 56.133 54.840 0.161 0.000 0.759 347 L CB -1.088 40.945 42.059 -0.044 0.000 0.903 347 L HN 0.373 nan 8.230 nan 0.000 0.435 348 G N -0.238 108.574 108.800 0.020 0.000 2.462 348 G HA2 -0.240 3.720 3.960 0.001 0.000 0.220 348 G HA3 -0.240 3.720 3.960 0.001 0.000 0.220 348 G C 1.399 176.268 174.900 -0.052 0.000 1.121 348 G CA 0.477 45.565 45.100 -0.021 0.000 0.758 348 G HN 0.443 nan 8.290 nan 0.000 0.559 349 E N -0.883 119.255 120.200 -0.103 0.000 2.274 349 E HA -0.050 4.301 4.350 0.001 0.000 0.194 349 E C 1.788 178.122 176.600 -0.442 0.000 0.996 349 E CA 0.552 56.785 56.400 -0.279 0.000 0.840 349 E CB -0.056 29.410 29.700 -0.391 0.000 0.772 349 E HN 0.691 nan 8.360 nan 0.000 0.491 350 Y N 0.324 120.478 120.300 -0.244 0.000 2.230 350 Y HA 0.120 4.670 4.550 0.001 0.000 0.294 350 Y C 0.908 176.656 175.900 -0.253 0.000 1.120 350 Y CA 0.377 58.236 58.100 -0.403 0.000 1.129 350 Y CB 0.504 38.477 38.460 -0.812 0.000 1.040 350 Y HN -0.227 nan 8.280 nan 0.000 0.519 351 K N 0.028 120.411 120.400 -0.029 0.000 2.535 351 K HA 0.347 4.668 4.320 0.001 0.000 0.251 351 K C -1.364 175.257 176.600 0.035 0.000 0.942 351 K CA -0.508 55.788 56.287 0.016 0.000 0.798 351 K CB 1.130 33.664 32.500 0.056 0.000 1.267 351 K HN -0.072 nan 8.250 nan 0.000 0.434 352 R N 3.942 124.447 120.500 0.008 0.000 2.570 352 R HA 0.134 4.474 4.340 0.001 0.000 0.277 352 R C 0.646 176.923 176.300 -0.038 0.000 1.039 352 R CA 0.078 56.168 56.100 -0.016 0.000 1.065 352 R CB 0.301 30.595 30.300 -0.010 0.000 0.964 352 R HN 0.603 nan 8.270 nan 0.000 0.428 353 L N 2.097 123.244 121.223 -0.125 0.000 2.313 353 L HA -0.097 4.244 4.340 0.001 0.000 0.214 353 L C 1.327 178.170 176.870 -0.045 0.000 1.119 353 L CA 0.700 55.368 54.840 -0.286 0.000 0.809 353 L CB -0.274 41.477 42.059 -0.513 0.000 0.933 353 L HN 0.726 nan 8.230 nan 0.000 0.449 354 D N -0.635 119.768 120.400 0.006 0.000 2.319 354 D HA -0.109 4.531 4.640 0.001 0.000 0.230 354 D C 1.106 177.448 176.300 0.071 0.000 1.094 354 D CA 0.381 54.415 54.000 0.058 0.000 0.856 354 D CB 0.151 40.974 40.800 0.037 0.000 0.915 354 D HN 0.392 nan 8.370 nan 0.000 0.517 355 E N -0.090 120.155 120.200 0.076 0.000 2.514 355 E HA 0.224 4.574 4.350 0.001 0.000 0.215 355 E C 0.715 177.383 176.600 0.114 0.000 0.946 355 E CA -0.024 56.424 56.400 0.080 0.000 1.038 355 E CB 1.182 30.918 29.700 0.061 0.000 1.069 355 E HN 0.465 nan 8.360 nan 0.000 0.503 356 I N -2.957 117.714 120.570 0.167 0.000 3.174 356 I HA 0.685 4.855 4.170 0.001 0.000 0.313 356 I C -0.493 175.791 176.117 0.279 0.000 1.155 356 I CA -1.613 59.817 61.300 0.216 0.000 0.977 356 I CB 1.586 39.744 38.000 0.263 0.000 1.248 356 I HN -0.295 nan 8.210 nan 0.000 0.453 357 A N 1.620 124.566 122.820 0.209 0.000 2.388 357 A HA 0.849 5.170 4.320 0.001 0.000 0.257 357 A C 0.367 177.969 177.584 0.030 0.000 1.095 357 A CA 0.609 52.724 52.037 0.130 0.000 0.791 357 A CB -0.227 18.814 19.000 0.068 0.000 1.029 357 A HN 1.560 nan 8.150 nan 0.000 0.489 358 G N 0.259 108.956 108.800 -0.172 0.000 2.333 358 G HA2 0.471 4.431 3.960 0.001 0.000 0.288 358 G HA3 0.471 4.431 3.960 0.001 0.000 0.288 358 G C -1.226 173.383 174.900 -0.486 0.000 1.286 358 G CA -0.251 44.438 45.100 -0.684 0.000 0.865 358 G HN 0.900 nan 8.290 nan 0.000 0.506 359 K N -0.975 119.112 120.400 -0.521 0.000 2.583 359 K HA 0.518 4.838 4.320 0.001 0.000 0.260 359 K C -2.303 174.397 176.600 0.167 0.000 0.931 359 K CA -0.754 55.545 56.287 0.020 0.000 0.849 359 K CB 1.992 34.582 32.500 0.151 0.000 1.347 359 K HN 0.520 nan 8.250 nan 0.000 0.425 360 F N 2.990 123.019 119.950 0.132 0.000 2.430 360 F HA 0.471 4.998 4.527 0.001 0.000 0.362 360 F C 0.336 176.191 175.800 0.091 0.000 1.103 360 F CA -0.206 57.831 58.000 0.062 0.000 1.045 360 F CB 1.215 40.286 39.000 0.119 0.000 1.276 360 F HN 0.624 nan 8.300 nan 0.000 0.444 361 G N 2.806 111.475 108.800 -0.218 0.000 2.611 361 G HA2 0.334 4.294 3.960 0.001 0.000 0.273 361 G HA3 0.334 4.294 3.960 0.001 0.000 0.273 361 G C -0.700 174.105 174.900 -0.159 0.000 1.305 361 G CA -0.168 44.897 45.100 -0.058 0.000 1.010 361 G HN 0.659 nan 8.290 nan 0.000 0.509 362 D N -1.545 118.809 120.400 -0.076 0.000 3.118 362 D HA 0.156 4.796 4.640 0.001 0.000 0.352 362 D C -2.682 173.552 176.300 -0.111 0.000 1.498 362 D CA -0.975 52.977 54.000 -0.079 0.000 0.759 362 D CB 0.097 40.903 40.800 0.010 0.000 1.251 362 D HN 0.229 nan 8.370 nan 0.000 0.504 363 P HA 0.012 nan 4.420 nan 0.000 0.266 363 P C 0.247 177.463 177.300 -0.141 0.000 1.180 363 P CA 0.113 63.113 63.100 -0.166 0.000 0.765 363 P CB 1.104 32.624 31.700 -0.301 0.000 0.806 364 I N 3.113 123.670 120.570 -0.023 0.000 2.321 364 I HA 0.340 4.510 4.170 0.001 0.000 0.291 364 I C 0.726 176.960 176.117 0.194 0.000 0.998 364 I CA -0.441 60.897 61.300 0.063 0.000 1.227 364 I CB 0.473 38.525 38.000 0.086 0.000 1.368 364 I HN 0.499 nan 8.210 nan 0.000 0.466 365 W N 5.767 127.003 121.300 -0.106 0.000 3.564 365 W HA 0.586 5.246 4.660 0.001 0.000 0.499 365 W C -0.988 175.510 176.519 -0.035 0.000 1.284 365 W CA -1.223 56.077 57.345 -0.076 0.000 0.898 365 W CB -0.399 28.854 29.460 -0.345 0.000 2.588 365 W HN 0.464 nan 8.180 nan 0.000 0.680 366 D N -0.739 119.535 120.400 -0.210 0.000 2.914 366 D HA 0.191 4.831 4.640 0.001 0.000 0.349 366 D C -0.974 175.050 176.300 -0.459 0.000 1.540 366 D CA -0.248 53.623 54.000 -0.214 0.000 0.778 366 D CB -0.666 40.123 40.800 -0.018 0.000 1.213 366 D HN 0.353 nan 8.370 nan 0.000 0.451 367 N N -0.030 118.030 118.700 -1.066 0.000 2.483 367 N HA 0.281 5.022 4.740 0.001 0.000 0.285 367 N C 0.464 175.682 175.510 -0.488 0.000 1.210 367 N CA -0.577 51.833 53.050 -1.066 0.000 0.931 367 N CB 1.661 38.702 38.487 -2.410 0.000 1.220 367 N HN -0.161 nan 8.380 nan 0.000 0.542 368 E N -0.685 119.359 120.200 -0.260 0.000 2.299 368 E HA -0.013 4.337 4.350 0.001 0.000 0.193 368 E C -0.527 176.225 176.600 0.253 0.000 0.998 368 E CA 0.864 57.284 56.400 0.034 0.000 0.851 368 E CB -0.059 29.688 29.700 0.079 0.000 0.795 368 E HN 0.513 nan 8.360 nan 0.000 0.492 369 Y N -1.002 119.406 120.300 0.181 0.000 2.618 369 Y HA 0.789 5.339 4.550 0.001 0.000 0.326 369 Y C -0.412 175.786 175.900 0.497 0.000 1.168 369 Y CA -1.889 56.434 58.100 0.372 0.000 1.269 369 Y CB 0.951 39.536 38.460 0.208 0.000 1.388 369 Y HN -0.187 nan 8.280 nan 0.000 0.528 370 A N 0.837 124.132 122.820 0.792 0.000 2.386 370 A HA 0.732 5.052 4.320 0.001 0.000 0.311 370 A C -1.810 175.992 177.584 0.365 0.000 1.068 370 A CA -0.816 51.486 52.037 0.443 0.000 0.743 370 A CB 1.445 20.539 19.000 0.156 0.000 1.258 370 A HN 0.679 nan 8.150 nan 0.000 0.429 371 V N 1.004 120.976 119.914 0.096 0.000 2.409 371 V HA 0.389 4.509 4.120 0.001 0.000 0.291 371 V C -0.283 175.723 176.094 -0.147 0.000 1.020 371 V CA -0.685 61.592 62.300 -0.038 0.000 0.848 371 V CB 1.154 32.909 31.823 -0.114 0.000 0.990 371 V HN 1.013 nan 8.190 nan 0.000 0.430 372 C N 7.003 126.212 119.300 -0.152 0.000 2.239 372 C HA 0.642 5.103 4.460 0.001 0.000 0.325 372 C C -0.368 174.480 174.990 -0.237 0.000 1.231 372 C CA -0.609 58.367 59.018 -0.071 0.000 1.652 372 C CB -1.095 26.695 27.740 0.082 0.000 2.284 372 C HN 0.771 nan 8.230 nan 0.000 0.499 373 Y N 4.098 124.260 120.300 -0.232 0.000 2.326 373 Y HA 0.467 5.017 4.550 0.001 0.000 0.337 373 Y C 1.018 176.690 175.900 -0.380 0.000 1.023 373 Y CA -0.055 57.804 58.100 -0.401 0.000 1.143 373 Y CB 1.478 39.469 38.460 -0.782 0.000 1.183 373 Y HN 0.576 nan 8.280 nan 0.000 0.485 374 T N 5.264 119.747 114.554 -0.120 0.000 2.861 374 T HA 0.676 5.026 4.350 0.001 0.000 0.287 374 T C -0.657 173.924 174.700 -0.199 0.000 1.003 374 T CA -0.638 61.388 62.100 -0.123 0.000 0.977 374 T CB 0.982 69.793 68.868 -0.095 0.000 0.996 374 T HN 0.384 nan 8.240 nan 0.000 0.448 375 I N 2.832 123.222 120.570 -0.299 0.000 2.478 375 I HA 0.473 4.643 4.170 0.001 0.000 0.287 375 I C -1.277 174.652 176.117 -0.313 0.000 1.042 375 I CA -0.754 60.406 61.300 -0.233 0.000 1.067 375 I CB 1.657 39.542 38.000 -0.192 0.000 1.233 375 I HN 0.534 nan 8.210 nan 0.000 0.431 376 F N 4.577 124.551 119.950 0.039 0.000 2.458 376 F HA 0.786 5.314 4.527 0.001 0.000 0.336 376 F C 0.454 176.269 175.800 0.025 0.000 1.114 376 F CA -0.492 57.558 58.000 0.085 0.000 0.987 376 F CB 1.946 41.027 39.000 0.136 0.000 1.130 376 F HN 0.452 nan 8.300 nan 0.000 0.458 377 A N 1.478 124.438 122.820 0.233 0.000 2.386 377 A HA 0.712 5.032 4.320 0.001 0.000 0.308 377 A C 0.576 178.250 177.584 0.151 0.000 1.128 377 A CA -0.335 51.787 52.037 0.141 0.000 0.789 377 A CB 1.065 20.122 19.000 0.095 0.000 1.325 377 A HN 1.460 nan 8.150 nan 0.000 0.437 378 G N -0.459 108.411 108.800 0.117 0.000 2.160 378 G HA2 -0.208 3.753 3.960 0.001 0.000 0.251 378 G HA3 -0.208 3.753 3.960 0.001 0.000 0.251 378 G C 0.212 175.195 174.900 0.138 0.000 1.008 378 G CA 0.792 45.960 45.100 0.114 0.000 0.724 378 G HN 0.717 nan 8.290 nan 0.000 0.514 379 M N 0.401 120.098 119.600 0.162 0.000 2.202 379 M HA 0.378 4.858 4.480 0.001 0.000 0.316 379 M C 1.292 177.733 176.300 0.235 0.000 1.138 379 M CA 0.079 55.470 55.300 0.152 0.000 1.151 379 M CB 0.526 33.179 32.600 0.088 0.000 1.422 379 M HN 0.136 nan 8.290 nan 0.000 0.471 380 T N 1.254 115.894 114.554 0.144 0.000 2.788 380 T HA 0.200 4.550 4.350 0.001 0.000 0.287 380 T C 0.031 174.712 174.700 -0.031 0.000 1.007 380 T CA -0.693 61.486 62.100 0.133 0.000 1.005 380 T CB 0.399 69.292 68.868 0.043 0.000 1.012 380 T HN 0.609 nan 8.240 nan 0.000 0.530 381 M N 3.002 122.508 119.600 -0.157 0.000 2.273 381 M HA -0.020 4.461 4.480 0.001 0.000 0.424 381 M C -2.305 173.678 176.300 -0.529 0.000 1.461 381 M CA -0.702 54.236 55.300 -0.603 0.000 0.819 381 M CB -0.131 32.246 32.600 -0.372 0.000 2.023 381 M HN 0.205 nan 8.290 nan 0.000 0.510 382 P HA 0.061 nan 4.420 nan 0.000 0.269 382 P C -0.490 176.647 177.300 -0.273 0.000 1.215 382 P CA 0.078 62.880 63.100 -0.497 0.000 0.780 382 P CB 0.484 31.776 31.700 -0.681 0.000 0.898 383 K N 1.207 121.491 120.400 -0.194 0.000 2.432 383 K HA -0.088 4.233 4.320 0.001 0.000 0.196 383 K C 1.852 178.418 176.600 -0.058 0.000 1.038 383 K CA 0.579 56.815 56.287 -0.084 0.000 0.986 383 K CB -0.127 32.338 32.500 -0.059 0.000 0.782 383 K HN 0.218 nan 8.250 nan 0.000 0.485 384 R N 0.459 120.896 120.500 -0.106 0.000 2.159 384 R HA -0.206 4.135 4.340 0.001 0.000 0.237 384 R C 1.797 178.077 176.300 -0.032 0.000 1.131 384 R CA 1.283 57.335 56.100 -0.079 0.000 0.982 384 R CB -0.612 29.622 30.300 -0.111 0.000 0.868 384 R HN 0.279 nan 8.270 nan 0.000 0.453 385 Y N 0.373 120.591 120.300 -0.136 0.000 2.081 385 Y HA -0.242 4.308 4.550 0.001 0.000 0.280 385 Y C 1.766 177.624 175.900 -0.070 0.000 1.163 385 Y CA 2.301 60.342 58.100 -0.098 0.000 1.135 385 Y CB -0.258 38.135 38.460 -0.111 0.000 0.970 385 Y HN 0.063 nan 8.280 nan 0.000 0.498 386 I N -0.363 120.240 120.570 0.055 0.000 2.142 386 I HA -0.352 3.818 4.170 0.001 0.000 0.240 386 I C 2.711 178.778 176.117 -0.084 0.000 1.078 386 I CA 1.872 63.163 61.300 -0.016 0.000 1.343 386 I CB -0.720 37.300 38.000 0.034 0.000 1.046 386 I HN 0.363 nan 8.210 nan 0.000 0.405 387 S N 0.741 116.402 115.700 -0.066 0.000 2.423 387 S HA -0.137 4.333 4.470 0.001 0.000 0.231 387 S C 1.960 176.505 174.600 -0.091 0.000 1.014 387 S CA 0.674 58.833 58.200 -0.069 0.000 0.965 387 S CB -0.506 62.661 63.200 -0.056 0.000 0.785 387 S HN 0.312 nan 8.310 nan 0.000 0.495 388 L N 2.230 123.382 121.223 -0.119 0.000 2.023 388 L HA 0.287 4.628 4.340 0.001 0.000 0.205 388 L C 2.806 179.576 176.870 -0.166 0.000 1.073 388 L CA 1.742 56.501 54.840 -0.135 0.000 0.745 388 L CB -1.460 40.511 42.059 -0.147 0.000 0.900 388 L HN 0.354 nan 8.230 nan 0.000 0.435 389 A N -0.604 122.067 122.820 -0.249 0.000 2.032 389 A HA -0.279 4.041 4.320 0.001 0.000 0.221 389 A C 2.485 179.988 177.584 -0.135 0.000 1.165 389 A CA 1.996 53.893 52.037 -0.233 0.000 0.645 389 A CB -0.627 18.188 19.000 -0.308 0.000 0.807 389 A HN 0.511 nan 8.150 nan 0.000 0.453 390 R N -0.609 119.824 120.500 -0.111 0.000 2.060 390 R HA -0.121 4.219 4.340 0.001 0.000 0.225 390 R C 2.231 178.491 176.300 -0.067 0.000 1.155 390 R CA 1.585 57.640 56.100 -0.075 0.000 0.930 390 R CB -0.441 29.821 30.300 -0.063 0.000 0.829 390 R HN 0.616 nan 8.270 nan 0.000 0.433 391 E N -1.015 119.144 120.200 -0.069 0.000 2.114 391 E HA -0.182 4.169 4.350 0.001 0.000 0.199 391 E C 1.482 178.048 176.600 -0.056 0.000 1.008 391 E CA 1.568 57.932 56.400 -0.060 0.000 0.810 391 E CB -0.284 29.378 29.700 -0.063 0.000 0.739 391 E HN 0.594 nan 8.360 nan 0.000 0.456 392 G N -0.014 108.747 108.800 -0.065 0.000 2.920 392 G HA2 -0.140 3.821 3.960 0.001 0.000 0.208 392 G HA3 -0.140 3.821 3.960 0.001 0.000 0.208 392 G C 1.257 176.125 174.900 -0.053 0.000 1.159 392 G CA 0.180 45.245 45.100 -0.058 0.000 0.784 392 G HN 0.124 nan 8.290 nan 0.000 0.535 393 K N 0.386 120.754 120.400 -0.054 0.000 2.099 393 K HA 0.084 4.404 4.320 0.001 0.000 0.203 393 K C 2.119 178.698 176.600 -0.036 0.000 1.047 393 K CA 0.516 56.777 56.287 -0.044 0.000 0.963 393 K CB -0.022 32.451 32.500 -0.045 0.000 0.759 393 K HN 0.245 nan 8.250 nan 0.000 0.451 394 E N 0.746 120.924 120.200 -0.037 0.000 2.118 394 E HA -0.205 4.145 4.350 0.001 0.000 0.195 394 E C 2.032 178.615 176.600 -0.028 0.000 0.992 394 E CA 1.246 57.627 56.400 -0.031 0.000 0.804 394 E CB -0.010 29.670 29.700 -0.033 0.000 0.741 394 E HN 0.293 nan 8.360 nan 0.000 0.458 395 L N 0.266 121.471 121.223 -0.030 0.000 2.068 395 L HA -0.079 4.261 4.340 0.001 0.000 0.204 395 L C 2.598 179.454 176.870 -0.022 0.000 1.076 395 L CA 0.864 55.688 54.840 -0.025 0.000 0.753 395 L CB -0.425 41.618 42.059 -0.026 0.000 0.910 395 L HN 0.087 nan 8.230 nan 0.000 0.439 396 A N -0.064 122.741 122.820 -0.024 0.000 1.892 396 A HA -0.314 4.006 4.320 0.001 0.000 0.218 396 A C 2.236 179.809 177.584 -0.019 0.000 1.188 396 A CA 2.255 54.279 52.037 -0.021 0.000 0.631 396 A CB -0.652 18.334 19.000 -0.023 0.000 0.822 396 A HN 0.496 nan 8.150 nan 0.000 0.447 397 E N -0.445 119.743 120.200 -0.020 0.000 2.031 397 E HA -0.252 4.099 4.350 0.001 0.000 0.193 397 E C 2.092 178.683 176.600 -0.016 0.000 0.994 397 E CA 1.605 57.995 56.400 -0.018 0.000 0.800 397 E CB -0.168 29.520 29.700 -0.019 0.000 0.752 397 E HN 0.582 nan 8.360 nan 0.000 0.447 398 K N 0.188 120.578 120.400 -0.017 0.000 2.160 398 K HA -0.158 4.162 4.320 0.001 0.000 0.206 398 K C 1.366 177.958 176.600 -0.014 0.000 1.047 398 K CA 1.247 57.525 56.287 -0.015 0.000 0.930 398 K CB 0.070 32.560 32.500 -0.017 0.000 0.720 398 K HN 0.201 nan 8.250 nan 0.000 0.450 399 Q N 0.745 120.536 119.800 -0.014 0.000 2.294 399 Q HA 0.013 4.353 4.340 0.001 0.000 0.222 399 Q C -0.615 175.378 176.000 -0.011 0.000 0.903 399 Q CA 0.551 56.347 55.803 -0.012 0.000 0.966 399 Q CB 0.186 28.917 28.738 -0.013 0.000 1.091 399 Q HN 0.299 nan 8.270 nan 0.000 0.438 400 E N 0.000 120.193 120.200 -0.011 0.000 2.725 400 E HA 0.000 4.350 4.350 0.001 0.000 0.291 400 E CA 0.000 56.394 56.400 -0.010 0.000 0.976 400 E CB 0.000 29.694 29.700 -0.010 0.000 0.812 400 E HN 0.000 nan 8.360 nan 0.000 0.440