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 3l2f_1_A DATA FIRST_RESID 25 DATA SEQUENCE FKAADNFPDL SKHNNVMASQ LTKELYEKYW DKVTPNGVTF DKCIQTGVDN DATA SEQUENCE PGNKFYGKKT GCVFGDEYSY ECYKEFFDKC IEEIHHFKPS DKHPAPDLDH DATA SEQUENCE NKLVGGVFED KYVKSCRIRC GRSVKGVCLP PAMSRAERRL VEKVVSDALG DATA SEQUENCE GLKGDLAGKY YPLTTMNEKD QEQLIEDHFL FEKPTGALLT TSGCARDWPD DATA SEQUENCE GRGIWHNNEK NFLVWINEED HIRVISMQKG GDLKAVFSRF ARGLLEVERL DATA SEQUENCE MKECGHGLMH NDRLGYICTC PTNMGTVVRA SVHLRLAFLE KHPRFDEMLG DATA SEQUENCE KLRLGKRGTG GESSLATDST YDISNWARLG KSERELVQVL VDGVNLLIAC DATA SEQUENCE DKKLEAGQSI DDMIPK 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 25 F HA 0.000 nan 4.527 nan 0.000 0.279 25 F C 0.000 175.880 175.800 0.134 0.000 0.967 25 F CA 0.000 58.064 58.000 0.107 0.000 1.383 25 F CB 0.000 39.087 39.000 0.144 0.000 1.145 26 K N 0.968 121.498 120.400 0.218 0.000 2.386 26 K HA 0.685 5.005 4.320 -0.000 0.000 0.249 26 K C 1.065 177.430 176.600 -0.391 0.000 1.055 26 K CA 0.138 56.452 56.287 0.045 0.000 0.930 26 K CB 0.538 33.033 32.500 -0.007 0.000 1.230 26 K HN 0.613 nan 8.250 nan 0.000 0.507 27 A N 0.542 122.943 122.820 -0.698 0.000 1.929 27 A HA -0.070 4.250 4.320 -0.000 0.000 0.216 27 A C 2.112 179.364 177.584 -0.553 0.000 1.176 27 A CA 1.768 52.917 52.037 -1.480 0.000 0.628 27 A CB -0.863 17.372 19.000 -1.275 0.000 0.816 27 A HN 0.701 nan 8.150 nan 0.000 0.444 28 A N -0.216 122.443 122.820 -0.268 0.000 2.121 28 A HA -0.103 4.216 4.320 -0.000 0.000 0.218 28 A C 1.479 179.022 177.584 -0.068 0.000 1.154 28 A CA 1.461 53.434 52.037 -0.105 0.000 0.679 28 A CB -0.361 18.579 19.000 -0.100 0.000 0.795 28 A HN 0.482 nan 8.150 nan 0.000 0.458 29 D N -0.991 119.341 120.400 -0.113 0.000 2.347 29 D HA -0.036 4.604 4.640 -0.000 0.000 0.213 29 D C 0.885 177.096 176.300 -0.149 0.000 0.985 29 D CA 0.781 54.722 54.000 -0.097 0.000 0.879 29 D CB 0.011 40.784 40.800 -0.045 0.000 0.919 29 D HN 0.492 nan 8.370 nan 0.000 0.526 30 N N -0.766 117.859 118.700 -0.124 0.000 2.159 30 N HA 0.034 4.773 4.740 -0.000 0.000 0.217 30 N C -0.380 175.124 175.510 -0.010 0.000 1.223 30 N CA -0.366 52.649 53.050 -0.059 0.000 0.896 30 N CB 0.454 38.934 38.487 -0.012 0.000 1.064 30 N HN -0.102 nan 8.380 nan 0.000 0.518 31 F N 3.696 123.533 119.950 -0.188 0.000 2.602 31 F HA 0.185 4.712 4.527 -0.000 0.000 0.385 31 F C -1.642 173.912 175.800 -0.411 0.000 1.063 31 F CA -1.888 55.791 58.000 -0.536 0.000 1.233 31 F CB 0.280 39.070 39.000 -0.349 0.000 1.067 31 F HN 0.093 nan 8.300 nan 0.000 0.564 32 P HA -0.039 nan 4.420 nan 0.000 0.267 32 P C -1.145 175.801 177.300 -0.591 0.000 1.200 32 P CA -0.077 62.563 63.100 -0.766 0.000 0.772 32 P CB 0.627 31.799 31.700 -0.880 0.000 0.855 33 D N 2.094 122.318 120.400 -0.294 0.000 2.479 33 D HA 0.158 4.798 4.640 -0.000 0.000 0.218 33 D C 0.391 176.628 176.300 -0.104 0.000 1.131 33 D CA -0.209 53.713 54.000 -0.131 0.000 0.916 33 D CB -0.542 40.235 40.800 -0.038 0.000 1.022 33 D HN 0.201 nan 8.370 nan 0.000 0.515 34 L N 2.465 123.562 121.223 -0.209 0.000 2.728 34 L HA 0.141 4.481 4.340 -0.000 0.000 0.235 34 L C 1.888 178.843 176.870 0.143 0.000 1.197 34 L CA -0.271 54.399 54.840 -0.284 0.000 0.992 34 L CB -0.144 41.598 42.059 -0.528 0.000 1.263 34 L HN 0.221 nan 8.230 nan 0.000 0.484 35 S N 0.914 116.689 115.700 0.126 0.000 2.381 35 S HA -0.257 4.213 4.470 -0.000 0.000 0.230 35 S C 1.901 176.562 174.600 0.102 0.000 1.052 35 S CA 1.826 60.083 58.200 0.095 0.000 1.068 35 S CB -0.100 63.135 63.200 0.057 0.000 0.918 35 S HN 0.565 nan 8.310 nan 0.000 0.448 36 K N 0.003 120.474 120.400 0.118 0.000 2.166 36 K HA 0.101 4.421 4.320 -0.000 0.000 0.201 36 K C 0.209 176.819 176.600 0.017 0.000 1.052 36 K CA 0.266 56.557 56.287 0.007 0.000 0.969 36 K CB -0.227 32.206 32.500 -0.113 0.000 0.761 36 K HN 0.411 nan 8.250 nan 0.000 0.459 37 H N 1.424 120.475 119.070 -0.032 0.000 3.058 37 H HA -0.026 4.530 4.556 -0.000 0.000 0.347 37 H C -0.279 175.041 175.328 -0.013 0.000 1.087 37 H CA 0.517 56.547 56.048 -0.030 0.000 1.375 37 H CB 0.100 29.836 29.762 -0.043 0.000 1.312 37 H HN 0.172 nan 8.280 nan 0.000 0.607 38 N N 1.506 120.266 118.700 0.101 0.000 2.640 38 N HA 0.189 4.929 4.740 -0.000 0.000 0.262 38 N C -1.656 173.899 175.510 0.074 0.000 1.174 38 N CA -0.592 52.501 53.050 0.071 0.000 0.791 38 N CB 0.434 38.943 38.487 0.036 0.000 1.279 38 N HN 0.835 nan 8.380 nan 0.000 0.535 39 N N -0.401 118.351 118.700 0.087 0.000 3.261 39 N HA 0.155 4.895 4.740 -0.000 0.000 0.248 39 N C -0.005 175.558 175.510 0.090 0.000 1.498 39 N CA -0.883 52.217 53.050 0.085 0.000 0.884 39 N CB 0.576 39.112 38.487 0.082 0.000 1.428 39 N HN -0.129 nan 8.380 nan 0.000 0.517 40 V N -0.396 119.574 119.914 0.094 0.000 2.255 40 V HA -0.260 3.860 4.120 -0.000 0.000 0.247 40 V C 2.422 178.603 176.094 0.145 0.000 1.051 40 V CA 2.174 64.535 62.300 0.103 0.000 1.018 40 V CB -0.800 31.073 31.823 0.084 0.000 0.641 40 V HN 0.792 nan 8.190 nan 0.000 0.445 41 M N 0.772 120.476 119.600 0.174 0.000 2.065 41 M HA -0.207 4.272 4.480 -0.000 0.000 0.259 41 M C 2.271 178.662 176.300 0.150 0.000 1.069 41 M CA 2.757 58.220 55.300 0.272 0.000 1.110 41 M CB -0.922 31.782 32.600 0.173 0.000 1.328 41 M HN 0.357 nan 8.290 nan 0.000 0.405 42 A N -0.847 121.998 122.820 0.043 0.000 1.986 42 A HA -0.175 4.145 4.320 -0.000 0.000 0.220 42 A C 2.309 179.938 177.584 0.074 0.000 1.171 42 A CA 2.356 54.392 52.037 -0.002 0.000 0.640 42 A CB -1.016 17.983 19.000 -0.001 0.000 0.811 42 A HN 0.636 nan 8.150 nan 0.000 0.451 43 S N -1.505 114.258 115.700 0.105 0.000 2.470 43 S HA -0.028 4.442 4.470 -0.000 0.000 0.225 43 S C 1.765 176.452 174.600 0.144 0.000 1.006 43 S CA 1.000 59.265 58.200 0.109 0.000 0.934 43 S CB -0.049 63.208 63.200 0.095 0.000 0.778 43 S HN 0.636 nan 8.310 nan 0.000 0.517 44 Q N -0.263 119.662 119.800 0.208 0.000 2.245 44 Q HA 0.304 4.643 4.340 -0.000 0.000 0.236 44 Q C -0.321 175.914 176.000 0.392 0.000 0.842 44 Q CA -0.115 55.848 55.803 0.268 0.000 0.945 44 Q CB 0.097 28.967 28.738 0.221 0.000 1.122 44 Q HN 0.336 nan 8.270 nan 0.000 0.506 45 L N 3.195 124.627 121.223 0.348 0.000 2.315 45 L HA 0.233 4.573 4.340 -0.000 0.000 0.283 45 L C -0.009 177.033 176.870 0.285 0.000 1.089 45 L CA 0.209 55.222 54.840 0.288 0.000 0.833 45 L CB 0.838 42.950 42.059 0.088 0.000 1.170 45 L HN 0.055 nan 8.230 nan 0.000 0.442 46 T N 0.770 115.482 114.554 0.263 0.000 2.929 46 T HA 0.371 4.721 4.350 -0.000 0.000 0.284 46 T C 1.043 175.793 174.700 0.083 0.000 1.014 46 T CA -0.761 61.427 62.100 0.147 0.000 1.051 46 T CB 1.232 70.163 68.868 0.104 0.000 1.028 46 T HN 0.655 nan 8.240 nan 0.000 0.485 47 K N 0.593 120.853 120.400 -0.233 0.000 2.113 47 K HA -0.184 4.136 4.320 -0.000 0.000 0.208 47 K C 2.120 178.652 176.600 -0.113 0.000 1.047 47 K CA 1.660 57.682 56.287 -0.441 0.000 0.928 47 K CB -0.102 32.057 32.500 -0.569 0.000 0.716 47 K HN 0.815 nan 8.250 nan 0.000 0.446 48 E N 1.340 121.500 120.200 -0.066 0.000 2.077 48 E HA -0.182 4.167 4.350 -0.000 0.000 0.193 48 E C 1.866 178.454 176.600 -0.021 0.000 0.989 48 E CA 0.972 57.349 56.400 -0.039 0.000 0.800 48 E CB 0.043 29.728 29.700 -0.026 0.000 0.746 48 E HN 0.305 nan 8.360 nan 0.000 0.452 49 L N -0.060 121.196 121.223 0.055 0.000 2.395 49 L HA -0.077 4.263 4.340 -0.000 0.000 0.218 49 L C 2.225 179.121 176.870 0.044 0.000 1.130 49 L CA 0.304 55.180 54.840 0.060 0.000 0.826 49 L CB -0.257 41.945 42.059 0.237 0.000 0.941 49 L HN 0.200 nan 8.230 nan 0.000 0.451 50 Y N 0.749 121.066 120.300 0.028 0.000 2.269 50 Y HA -0.144 4.405 4.550 -0.000 0.000 0.294 50 Y C 2.600 178.518 175.900 0.031 0.000 1.120 50 Y CA 1.222 59.384 58.100 0.103 0.000 1.159 50 Y CB 0.138 38.820 38.460 0.370 0.000 1.024 50 Y HN 0.119 nan 8.280 nan 0.000 0.532 51 E N 0.685 120.872 120.200 -0.022 0.000 2.204 51 E HA -0.267 4.083 4.350 -0.000 0.000 0.195 51 E C 1.986 178.563 176.600 -0.039 0.000 0.990 51 E CA 1.382 57.724 56.400 -0.097 0.000 0.821 51 E CB -0.056 29.597 29.700 -0.079 0.000 0.750 51 E HN 0.528 nan 8.360 nan 0.000 0.477 52 K N -0.929 119.363 120.400 -0.180 0.000 2.166 52 K HA -0.081 4.239 4.320 -0.000 0.000 0.201 52 K C 1.355 177.742 176.600 -0.355 0.000 1.052 52 K CA 0.734 56.828 56.287 -0.320 0.000 0.969 52 K CB 0.023 32.187 32.500 -0.560 0.000 0.761 52 K HN 0.149 nan 8.250 nan 0.000 0.459 53 Y N -0.462 119.679 120.300 -0.264 0.000 2.481 53 Y HA -0.003 4.547 4.550 -0.000 0.000 0.258 53 Y C 1.894 177.661 175.900 -0.222 0.000 1.103 53 Y CA -0.418 57.482 58.100 -0.334 0.000 1.287 53 Y CB 0.197 38.109 38.460 -0.914 0.000 1.108 53 Y HN 0.274 nan 8.280 nan 0.000 0.529 54 W N 2.407 123.502 121.300 -0.342 0.000 2.350 54 W HA -0.173 4.487 4.660 -0.000 0.000 0.289 54 W C 0.116 176.600 176.519 -0.058 0.000 1.215 54 W CA 1.685 58.862 57.345 -0.280 0.000 1.236 54 W CB -0.514 28.521 29.460 -0.708 0.000 1.130 54 W HN 0.302 nan 8.180 nan 0.000 0.541 55 D N 0.454 120.480 120.400 -0.623 0.000 2.615 55 D HA 0.133 4.773 4.640 -0.000 0.000 0.236 55 D C -0.477 175.696 176.300 -0.212 0.000 1.233 55 D CA -0.185 53.424 54.000 -0.653 0.000 0.829 55 D CB -0.520 39.850 40.800 -0.717 0.000 1.024 55 D HN 0.100 nan 8.370 nan 0.000 0.490 56 K N 0.921 121.316 120.400 -0.008 0.000 2.449 56 K HA 0.390 4.710 4.320 -0.000 0.000 0.257 56 K C -1.149 175.561 176.600 0.184 0.000 0.989 56 K CA -0.671 55.677 56.287 0.102 0.000 0.916 56 K CB 1.339 33.962 32.500 0.205 0.000 1.136 56 K HN -0.139 nan 8.250 nan 0.000 0.439 57 V N 3.406 123.367 119.914 0.079 0.000 2.509 57 V HA 0.234 4.354 4.120 -0.000 0.000 0.284 57 V C 0.833 176.968 176.094 0.068 0.000 1.047 57 V CA -0.810 61.551 62.300 0.102 0.000 0.952 57 V CB 1.103 32.950 31.823 0.040 0.000 0.988 57 V HN 0.951 nan 8.190 nan 0.000 0.469 58 T N 2.486 117.111 114.554 0.118 0.000 2.726 58 T HA 0.209 4.559 4.350 -0.000 0.000 0.294 58 T C -1.562 173.141 174.700 0.005 0.000 1.013 58 T CA -1.206 60.931 62.100 0.060 0.000 0.996 58 T CB 0.707 69.683 68.868 0.181 0.000 1.016 58 T HN 0.478 nan 8.240 nan 0.000 0.529 59 P HA -0.007 nan 4.420 nan 0.000 0.219 59 P C 0.963 178.251 177.300 -0.021 0.000 1.146 59 P CA 0.817 63.815 63.100 -0.171 0.000 0.808 59 P CB -0.003 31.364 31.700 -0.555 0.000 0.779 60 N N -1.697 117.061 118.700 0.097 0.000 2.270 60 N HA 0.129 4.869 4.740 -0.000 0.000 0.198 60 N C 1.160 176.734 175.510 0.107 0.000 1.117 60 N CA 0.876 54.005 53.050 0.133 0.000 0.845 60 N CB -0.018 38.595 38.487 0.210 0.000 0.980 60 N HN 0.096 nan 8.380 nan 0.000 0.486 61 G N -0.377 108.477 108.800 0.090 0.000 2.157 61 G HA2 -0.261 3.698 3.960 -0.000 0.000 0.248 61 G HA3 -0.261 3.698 3.960 -0.000 0.000 0.248 61 G C -0.050 174.915 174.900 0.108 0.000 0.979 61 G CA 0.097 45.245 45.100 0.081 0.000 0.650 61 G HN 0.175 nan 8.290 nan 0.000 0.529 62 V N 2.174 122.180 119.914 0.154 0.000 2.530 62 V HA 0.593 4.713 4.120 -0.000 0.000 0.282 62 V C 1.185 177.421 176.094 0.238 0.000 1.048 62 V CA 0.471 62.885 62.300 0.188 0.000 0.997 62 V CB 1.120 33.085 31.823 0.237 0.000 0.987 62 V HN 0.753 nan 8.190 nan 0.000 0.477 63 T N 1.436 116.098 114.554 0.181 0.000 2.923 63 T HA 0.419 4.769 4.350 -0.000 0.000 0.281 63 T C 0.689 175.452 174.700 0.105 0.000 0.995 63 T CA -0.379 61.832 62.100 0.186 0.000 0.985 63 T CB 1.126 70.051 68.868 0.096 0.000 1.114 63 T HN 0.319 nan 8.240 nan 0.000 0.548 64 F N 0.723 120.592 119.950 -0.134 0.000 2.163 64 F HA 0.039 4.566 4.527 -0.000 0.000 0.297 64 F C 2.041 177.722 175.800 -0.199 0.000 1.094 64 F CA 1.483 59.204 58.000 -0.464 0.000 1.290 64 F CB -0.478 38.287 39.000 -0.392 0.000 1.017 64 F HN 0.622 nan 8.300 nan 0.000 0.483 65 D N 0.415 120.794 120.400 -0.034 0.000 2.149 65 D HA -0.187 4.453 4.640 -0.000 0.000 0.198 65 D C 2.249 178.485 176.300 -0.108 0.000 0.990 65 D CA 0.855 54.829 54.000 -0.043 0.000 0.839 65 D CB -0.198 40.672 40.800 0.117 0.000 0.948 65 D HN 0.143 nan 8.370 nan 0.000 0.460 66 K N 0.851 121.216 120.400 -0.059 0.000 2.032 66 K HA -0.108 4.212 4.320 -0.000 0.000 0.209 66 K C 2.207 178.762 176.600 -0.076 0.000 1.048 66 K CA 0.664 56.932 56.287 -0.032 0.000 0.927 66 K CB -0.792 31.727 32.500 0.032 0.000 0.712 66 K HN 0.191 nan 8.250 nan 0.000 0.441 67 C N 0.613 119.825 119.300 -0.147 0.000 2.446 67 C HA -0.061 4.399 4.460 -0.000 0.000 0.277 67 C C 2.536 177.425 174.990 -0.169 0.000 1.275 67 C CA 0.834 59.786 59.018 -0.110 0.000 1.727 67 C CB -0.764 26.911 27.740 -0.109 0.000 2.010 67 C HN 0.632 nan 8.230 nan 0.000 0.486 68 I N -0.669 119.686 120.570 -0.359 0.000 3.860 68 I HA 0.067 4.237 4.170 -0.000 0.000 0.319 68 I C 2.219 178.211 176.117 -0.208 0.000 1.279 68 I CA 0.653 61.757 61.300 -0.326 0.000 1.220 68 I CB -0.633 37.015 38.000 -0.587 0.000 1.027 68 I HN 0.170 nan 8.210 nan 0.000 0.428 69 Q N 1.776 121.479 119.800 -0.161 0.000 2.062 69 Q HA -0.273 4.067 4.340 -0.000 0.000 0.209 69 Q C 2.307 178.262 176.000 -0.074 0.000 0.996 69 Q CA 3.281 59.020 55.803 -0.107 0.000 0.859 69 Q CB -0.736 27.961 28.738 -0.068 0.000 0.920 69 Q HN 0.553 nan 8.270 nan 0.000 0.415 70 T N -1.501 113.019 114.554 -0.057 0.000 2.760 70 T HA -0.174 4.176 4.350 -0.000 0.000 0.269 70 T C 1.447 176.135 174.700 -0.020 0.000 1.047 70 T CA 1.664 63.743 62.100 -0.035 0.000 1.139 70 T CB -0.627 68.224 68.868 -0.030 0.000 0.855 70 T HN 0.566 nan 8.240 nan 0.000 0.471 71 G N -0.219 108.564 108.800 -0.028 0.000 2.453 71 G HA2 -0.007 3.953 3.960 -0.000 0.000 0.215 71 G HA3 -0.007 3.953 3.960 -0.000 0.000 0.215 71 G C 1.677 176.608 174.900 0.051 0.000 1.147 71 G CA 0.673 45.777 45.100 0.007 0.000 0.802 71 G HN 0.487 nan 8.290 nan 0.000 0.535 72 V N 1.622 121.514 119.914 -0.038 0.000 2.343 72 V HA -0.138 3.982 4.120 -0.000 0.000 0.247 72 V C 2.435 178.613 176.094 0.140 0.000 1.051 72 V CA 2.097 64.397 62.300 0.000 0.000 1.036 72 V CB -0.343 31.404 31.823 -0.127 0.000 0.654 72 V HN 0.245 nan 8.190 nan 0.000 0.451 73 D N 0.128 120.545 120.400 0.029 0.000 2.264 73 D HA -0.058 4.582 4.640 -0.000 0.000 0.208 73 D C 0.723 177.011 176.300 -0.020 0.000 0.966 73 D CA 0.898 54.897 54.000 -0.002 0.000 0.864 73 D CB -0.195 40.592 40.800 -0.022 0.000 0.933 73 D HN 0.408 nan 8.370 nan 0.000 0.499 74 N N 0.672 119.376 118.700 0.006 0.000 2.804 74 N HA 0.126 4.865 4.740 -0.000 0.000 0.251 74 N C -2.013 173.479 175.510 -0.030 0.000 1.250 74 N CA -0.998 52.034 53.050 -0.029 0.000 0.820 74 N CB 2.081 40.559 38.487 -0.015 0.000 1.156 74 N HN 0.052 nan 8.380 nan 0.000 0.512 75 P HA 0.034 nan 4.420 nan 0.000 0.229 75 P C 0.567 177.787 177.300 -0.133 0.000 1.160 75 P CA 0.713 63.626 63.100 -0.311 0.000 0.777 75 P CB 0.856 32.159 31.700 -0.662 0.000 0.814 76 G N -0.432 108.301 108.800 -0.111 0.000 2.725 76 G HA2 0.467 4.427 3.960 -0.000 0.000 0.288 76 G HA3 0.467 4.427 3.960 -0.000 0.000 0.288 76 G C -1.896 172.957 174.900 -0.078 0.000 1.399 76 G CA -0.358 44.692 45.100 -0.084 0.000 0.859 76 G HN 0.002 nan 8.290 nan 0.000 0.479 77 N N -0.614 118.037 118.700 -0.081 0.000 2.430 77 N HA 0.246 4.986 4.740 -0.000 0.000 0.290 77 N C 0.647 176.032 175.510 -0.208 0.000 1.063 77 N CA -0.666 52.322 53.050 -0.103 0.000 0.883 77 N CB 2.196 40.679 38.487 -0.006 0.000 1.465 77 N HN 0.412 nan 8.380 nan 0.000 0.493 78 K N 1.679 121.819 120.400 -0.434 0.000 2.280 78 K HA 0.001 4.320 4.320 -0.000 0.000 0.202 78 K C -0.004 176.161 176.600 -0.726 0.000 1.047 78 K CA 1.230 57.111 56.287 -0.676 0.000 0.942 78 K CB 0.039 31.908 32.500 -1.051 0.000 0.739 78 K HN 0.398 nan 8.250 nan 0.000 0.457 79 F N -1.155 118.718 119.950 -0.128 0.000 2.873 79 F HA 0.282 4.808 4.527 -0.000 0.000 0.308 79 F C 0.760 176.467 175.800 -0.156 0.000 1.354 79 F CA -1.279 56.562 58.000 -0.266 0.000 1.037 79 F CB -0.525 38.320 39.000 -0.259 0.000 1.860 79 F HN -0.240 nan 8.300 nan 0.000 0.479 80 Y N -0.285 120.181 120.300 0.276 0.000 2.307 80 Y HA 0.492 5.042 4.550 -0.000 0.000 0.324 80 Y C 0.681 176.670 175.900 0.148 0.000 1.238 80 Y CA -0.394 57.803 58.100 0.161 0.000 1.280 80 Y CB 0.741 39.289 38.460 0.147 0.000 1.248 80 Y HN 0.692 nan 8.280 nan 0.000 0.508 81 G N 2.064 111.040 108.800 0.293 0.000 2.721 81 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.686 81 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.686 81 G C -1.238 173.769 174.900 0.178 0.000 1.236 81 G CA -0.926 44.318 45.100 0.240 0.000 0.786 81 G HN 0.742 nan 8.290 nan 0.000 0.616 82 K N 1.592 122.088 120.400 0.161 0.000 2.297 82 K HA 0.399 4.718 4.320 -0.000 0.000 0.286 82 K C 0.595 177.298 176.600 0.172 0.000 1.053 82 K CA -0.626 55.739 56.287 0.131 0.000 0.940 82 K CB 0.412 32.967 32.500 0.092 0.000 1.019 82 K HN 0.357 nan 8.250 nan 0.000 0.475 83 K N 2.339 122.809 120.400 0.117 0.000 2.107 83 K HA 0.087 4.407 4.320 -0.000 0.000 0.251 83 K C 0.989 177.637 176.600 0.078 0.000 1.012 83 K CA -0.208 56.135 56.287 0.093 0.000 0.920 83 K CB 1.254 33.792 32.500 0.063 0.000 1.033 83 K HN 0.696 nan 8.250 nan 0.000 0.478 84 T N 0.180 114.759 114.554 0.041 0.000 2.590 84 T HA -0.061 4.289 4.350 -0.000 0.000 0.257 84 T C 1.018 175.746 174.700 0.047 0.000 1.080 84 T CA 1.827 63.943 62.100 0.027 0.000 1.180 84 T CB -0.366 68.486 68.868 -0.028 0.000 0.865 84 T HN 0.859 nan 8.240 nan 0.000 0.403 85 G N 0.551 109.369 108.800 0.030 0.000 2.134 85 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.209 85 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.209 85 G C 0.195 175.115 174.900 0.033 0.000 0.993 85 G CA -0.222 44.898 45.100 0.034 0.000 0.669 85 G HN 1.210 nan 8.290 nan 0.000 0.519 86 C N -1.976 117.344 119.300 0.033 0.000 3.302 86 C HA 0.929 5.389 4.460 -0.000 0.000 0.347 86 C C -0.160 174.818 174.990 -0.021 0.000 1.218 86 C CA -0.462 58.592 59.018 0.060 0.000 1.234 86 C CB 1.542 29.435 27.740 0.255 0.000 1.551 86 C HN 1.952 nan 8.230 nan 0.000 0.501 87 V N -1.726 118.168 119.914 -0.032 0.000 3.188 87 V HA 0.816 4.936 4.120 -0.000 0.000 0.305 87 V C -0.913 175.094 176.094 -0.146 0.000 1.232 87 V CA -0.940 61.232 62.300 -0.214 0.000 1.043 87 V CB 1.793 33.551 31.823 -0.108 0.000 1.068 87 V HN 0.928 nan 8.190 nan 0.000 0.439 88 F N 1.464 121.421 119.950 0.011 0.000 2.396 88 F HA 0.667 5.194 4.527 -0.000 0.000 0.343 88 F C 1.641 177.478 175.800 0.062 0.000 1.104 88 F CA 0.311 58.332 58.000 0.035 0.000 1.161 88 F CB 1.767 40.716 39.000 -0.085 0.000 1.146 88 F HN 0.783 nan 8.300 nan 0.000 0.522 89 G N 1.092 110.075 108.800 0.305 0.000 2.411 89 G HA2 -0.027 3.933 3.960 -0.000 0.000 0.213 89 G HA3 -0.027 3.933 3.960 -0.000 0.000 0.213 89 G C -0.028 174.973 174.900 0.167 0.000 1.166 89 G CA 0.701 45.920 45.100 0.199 0.000 0.802 89 G HN 0.676 nan 8.290 nan 0.000 0.533 90 D N -1.948 118.564 120.400 0.186 0.000 2.958 90 D HA 0.121 4.761 4.640 -0.000 0.000 0.306 90 D C 0.900 177.198 176.300 -0.005 0.000 1.226 90 D CA -0.422 53.636 54.000 0.097 0.000 1.032 90 D CB 0.162 41.042 40.800 0.132 0.000 1.400 90 D HN 0.063 nan 8.370 nan 0.000 0.587 91 E N -1.153 118.942 120.200 -0.174 0.000 2.482 91 E HA -0.091 4.259 4.350 -0.000 0.000 0.196 91 E C 0.274 176.635 176.600 -0.397 0.000 1.047 91 E CA 0.455 56.644 56.400 -0.351 0.000 0.869 91 E CB -0.129 29.277 29.700 -0.491 0.000 0.836 91 E HN 0.530 nan 8.360 nan 0.000 0.520 92 Y N -0.596 119.708 120.300 0.007 0.000 2.467 92 Y HA 0.242 4.792 4.550 -0.000 0.000 0.250 92 Y C 2.328 178.230 175.900 0.003 0.000 1.155 92 Y CA -0.197 57.901 58.100 -0.004 0.000 1.249 92 Y CB 0.774 39.237 38.460 0.006 0.000 1.146 92 Y HN 0.021 nan 8.280 nan 0.000 0.524 93 S N 0.017 115.825 115.700 0.181 0.000 2.355 93 S HA -0.238 4.232 4.470 -0.000 0.000 0.222 93 S C 1.786 176.570 174.600 0.307 0.000 1.031 93 S CA 1.392 59.809 58.200 0.361 0.000 0.993 93 S CB -0.523 63.013 63.200 0.559 0.000 0.859 93 S HN 0.642 nan 8.310 nan 0.000 0.453 94 Y N 2.362 122.505 120.300 -0.261 0.000 2.151 94 Y HA -0.204 4.345 4.550 -0.000 0.000 0.284 94 Y C 2.310 178.245 175.900 0.058 0.000 1.166 94 Y CA 1.766 59.682 58.100 -0.308 0.000 1.163 94 Y CB -0.129 37.882 38.460 -0.747 0.000 0.974 94 Y HN 0.169 nan 8.280 nan 0.000 0.511 95 E N -0.605 119.484 120.200 -0.186 0.000 2.072 95 E HA -0.208 4.142 4.350 -0.000 0.000 0.190 95 E C 2.446 178.911 176.600 -0.225 0.000 0.982 95 E CA 1.186 57.457 56.400 -0.215 0.000 0.803 95 E CB -0.809 28.891 29.700 0.000 0.000 0.755 95 E HN 0.535 nan 8.360 nan 0.000 0.453 96 C N 0.035 119.176 119.300 -0.265 0.000 2.413 96 C HA -0.160 4.300 4.460 -0.000 0.000 0.277 96 C C 1.590 176.173 174.990 -0.678 0.000 1.265 96 C CA 0.765 59.456 59.018 -0.544 0.000 1.752 96 C CB -0.820 26.311 27.740 -1.016 0.000 1.998 96 C HN 0.392 nan 8.230 nan 0.000 0.489 97 Y N -0.466 119.701 120.300 -0.222 0.000 2.713 97 Y HA 0.219 4.769 4.550 -0.000 0.000 0.269 97 Y C 1.551 177.223 175.900 -0.381 0.000 1.106 97 Y CA -0.228 57.330 58.100 -0.904 0.000 1.174 97 Y CB -0.479 37.589 38.460 -0.653 0.000 1.186 97 Y HN 0.184 nan 8.280 nan 0.000 0.555 98 K N 1.656 121.992 120.400 -0.107 0.000 2.160 98 K HA -0.277 4.043 4.320 -0.000 0.000 0.206 98 K C 1.748 178.420 176.600 0.121 0.000 1.047 98 K CA 2.086 58.297 56.287 -0.127 0.000 0.930 98 K CB 0.109 32.440 32.500 -0.283 0.000 0.720 98 K HN 0.521 nan 8.250 nan 0.000 0.450 99 E N -0.667 119.689 120.200 0.261 0.000 2.204 99 E HA -0.182 4.167 4.350 -0.000 0.000 0.194 99 E C 1.571 178.378 176.600 0.344 0.000 0.989 99 E CA 0.922 57.509 56.400 0.311 0.000 0.824 99 E CB -0.094 29.816 29.700 0.350 0.000 0.756 99 E HN 0.487 nan 8.360 nan 0.000 0.477 100 F N -0.600 119.469 119.950 0.198 0.000 2.317 100 F HA 0.079 4.606 4.527 -0.000 0.000 0.290 100 F C 1.345 177.229 175.800 0.140 0.000 1.075 100 F CA 0.490 58.571 58.000 0.134 0.000 1.380 100 F CB -0.233 38.816 39.000 0.081 0.000 1.093 100 F HN -0.064 nan 8.300 nan 0.000 0.524 101 F N 1.323 121.211 119.950 -0.104 0.000 2.293 101 F HA -0.096 4.431 4.527 -0.000 0.000 0.300 101 F C 2.148 177.992 175.800 0.074 0.000 1.086 101 F CA 1.108 59.046 58.000 -0.103 0.000 1.375 101 F CB -0.914 38.271 39.000 0.309 0.000 1.045 101 F HN 0.036 nan 8.300 nan 0.000 0.516 102 D N -0.165 120.421 120.400 0.311 0.000 2.312 102 D HA -0.092 4.548 4.640 -0.000 0.000 0.211 102 D C 2.001 178.424 176.300 0.206 0.000 0.964 102 D CA 0.761 54.942 54.000 0.301 0.000 0.877 102 D CB -0.024 40.944 40.800 0.280 0.000 0.924 102 D HN 0.310 nan 8.370 nan 0.000 0.515 103 K N -0.319 120.151 120.400 0.117 0.000 2.262 103 K HA 0.040 4.360 4.320 -0.000 0.000 0.200 103 K C 2.083 178.720 176.600 0.061 0.000 1.049 103 K CA 0.217 56.561 56.287 0.096 0.000 0.979 103 K CB 0.299 32.858 32.500 0.099 0.000 0.773 103 K HN 0.137 nan 8.250 nan 0.000 0.474 104 C N 0.906 120.197 119.300 -0.014 0.000 2.475 104 C HA 0.063 4.523 4.460 -0.000 0.000 0.279 104 C C 2.527 177.572 174.990 0.092 0.000 1.322 104 C CA 0.121 59.137 59.018 -0.003 0.000 1.734 104 C CB -0.550 27.134 27.740 -0.094 0.000 2.005 104 C HN 0.368 nan 8.230 nan 0.000 0.495 105 I N 1.240 121.912 120.570 0.169 0.000 2.208 105 I HA -0.244 3.926 4.170 -0.000 0.000 0.245 105 I C 2.664 178.949 176.117 0.280 0.000 1.097 105 I CA 1.942 63.403 61.300 0.268 0.000 1.363 105 I CB -0.434 37.716 38.000 0.250 0.000 1.051 105 I HN 0.447 nan 8.210 nan 0.000 0.413 106 E N 0.959 121.299 120.200 0.234 0.000 2.106 106 E HA -0.282 4.068 4.350 -0.000 0.000 0.192 106 E C 2.115 178.794 176.600 0.132 0.000 0.984 106 E CA 1.264 57.800 56.400 0.227 0.000 0.806 106 E CB -0.047 29.774 29.700 0.202 0.000 0.750 106 E HN 0.432 nan 8.360 nan 0.000 0.458 107 E N 0.134 120.384 120.200 0.084 0.000 2.058 107 E HA -0.216 4.134 4.350 -0.000 0.000 0.194 107 E C 1.972 178.511 176.600 -0.101 0.000 0.997 107 E CA 1.592 57.999 56.400 0.011 0.000 0.801 107 E CB -0.055 29.672 29.700 0.046 0.000 0.746 107 E HN 0.367 nan 8.360 nan 0.000 0.450 108 I N 0.179 120.727 120.570 -0.038 0.000 2.185 108 I HA -0.207 3.963 4.170 -0.000 0.000 0.235 108 I C 2.024 178.057 176.117 -0.140 0.000 1.069 108 I CA 1.030 62.286 61.300 -0.072 0.000 1.354 108 I CB -0.261 37.551 38.000 -0.314 0.000 1.093 108 I HN 0.178 nan 8.210 nan 0.000 0.411 109 H N 0.299 119.416 119.070 0.077 0.000 2.526 109 H HA 0.135 4.691 4.556 -0.000 0.000 0.274 109 H C -0.122 175.357 175.328 0.251 0.000 0.999 109 H CA 0.119 56.253 56.048 0.144 0.000 1.157 109 H CB -0.087 29.730 29.762 0.093 0.000 1.407 109 H HN 0.384 nan 8.280 nan 0.000 0.568 110 H N -0.896 118.362 119.070 0.314 0.000 2.791 110 H HA -0.205 4.351 4.556 -0.000 0.000 0.302 110 H C -0.510 174.975 175.328 0.261 0.000 1.198 110 H CA 0.742 56.931 56.048 0.235 0.000 1.145 110 H CB -2.246 27.618 29.762 0.170 0.000 1.385 110 H HN 0.358 nan 8.280 nan 0.000 0.409 111 F N 0.957 121.046 119.950 0.231 0.000 2.458 111 F HA 0.437 4.964 4.527 -0.000 0.000 0.336 111 F C 0.300 176.184 175.800 0.141 0.000 1.114 111 F CA -0.727 57.375 58.000 0.170 0.000 0.987 111 F CB 0.964 40.047 39.000 0.138 0.000 1.130 111 F HN -0.138 nan 8.300 nan 0.000 0.458 112 K N 6.339 126.606 120.400 -0.222 0.000 2.095 112 K HA 0.343 4.663 4.320 -0.000 0.000 0.252 112 K C -1.952 174.656 176.600 0.014 0.000 0.977 112 K CA -1.637 54.623 56.287 -0.046 0.000 0.900 112 K CB 1.248 33.697 32.500 -0.086 0.000 1.060 112 K HN 0.312 nan 8.250 nan 0.000 0.449 113 P HA -0.190 nan 4.420 nan 0.000 0.219 113 P C 0.514 177.876 177.300 0.103 0.000 1.146 113 P CA 1.260 64.467 63.100 0.179 0.000 0.808 113 P CB 0.209 32.002 31.700 0.156 0.000 0.779 114 S N -2.700 113.006 115.700 0.010 0.000 2.470 114 S HA 0.010 4.480 4.470 -0.000 0.000 0.225 114 S C 0.900 175.453 174.600 -0.079 0.000 1.006 114 S CA 0.109 58.301 58.200 -0.015 0.000 0.934 114 S CB -0.714 62.474 63.200 -0.021 0.000 0.778 114 S HN 0.059 nan 8.310 nan 0.000 0.517 115 D N 2.104 122.345 120.400 -0.264 0.000 2.369 115 D HA 0.381 5.020 4.640 -0.000 0.000 0.241 115 D C -0.029 176.187 176.300 -0.141 0.000 1.271 115 D CA 0.374 54.101 54.000 -0.454 0.000 0.942 115 D CB 0.450 40.493 40.800 -1.262 0.000 1.129 115 D HN 0.260 nan 8.370 nan 0.000 0.476 116 K N -0.527 119.882 120.400 0.014 0.000 2.508 116 K HA 0.234 4.554 4.320 -0.000 0.000 0.260 116 K C -1.309 175.544 176.600 0.421 0.000 0.949 116 K CA -0.713 55.745 56.287 0.285 0.000 0.834 116 K CB 1.495 34.072 32.500 0.129 0.000 1.365 116 K HN 0.366 nan 8.250 nan 0.000 0.437 117 H N 3.646 122.875 119.070 0.264 0.000 2.604 117 H HA 0.332 4.888 4.556 -0.000 0.000 0.306 117 H C -2.067 173.323 175.328 0.103 0.000 1.075 117 H CA -1.561 54.586 56.048 0.165 0.000 1.357 117 H CB 0.860 30.616 29.762 -0.011 0.000 1.426 117 H HN 0.372 nan 8.280 nan 0.000 0.470 118 P HA 0.053 nan 4.420 nan 0.000 0.270 118 P C -0.650 176.476 177.300 -0.289 0.000 1.221 118 P CA -0.373 62.577 63.100 -0.250 0.000 0.788 118 P CB 0.456 32.048 31.700 -0.180 0.000 0.904 119 A N 2.135 124.887 122.820 -0.113 0.000 2.462 119 A HA 0.382 4.702 4.320 -0.000 0.000 0.243 119 A C -1.909 175.658 177.584 -0.029 0.000 1.076 119 A CA -0.989 51.019 52.037 -0.049 0.000 0.773 119 A CB -1.526 17.467 19.000 -0.012 0.000 1.010 119 A HN 0.411 nan 8.150 nan 0.000 0.493 120 P HA 0.135 nan 4.420 nan 0.000 0.266 120 P C -0.832 176.525 177.300 0.095 0.000 1.195 120 P CA 0.297 63.459 63.100 0.104 0.000 0.768 120 P CB 0.449 32.239 31.700 0.150 0.000 0.838 121 D N 2.590 123.073 120.400 0.138 0.000 2.389 121 D HA 0.176 4.816 4.640 -0.000 0.000 0.256 121 D C -0.115 176.314 176.300 0.214 0.000 1.239 121 D CA -0.255 53.829 54.000 0.139 0.000 0.925 121 D CB 0.469 41.345 40.800 0.127 0.000 1.145 121 D HN 0.192 nan 8.370 nan 0.000 0.542 122 L N 1.879 123.190 121.223 0.146 0.000 2.818 122 L HA 0.241 4.581 4.340 -0.000 0.000 0.243 122 L C 0.601 177.411 176.870 -0.100 0.000 1.185 122 L CA -0.214 54.691 54.840 0.108 0.000 0.988 122 L CB 0.333 42.446 42.059 0.089 0.000 1.292 122 L HN 0.180 nan 8.230 nan 0.000 0.519 123 D N 0.554 120.929 120.400 -0.041 0.000 2.352 123 D HA 0.020 4.659 4.640 -0.000 0.000 0.245 123 D C 1.234 177.438 176.300 -0.160 0.000 1.224 123 D CA -0.168 53.764 54.000 -0.112 0.000 0.879 123 D CB 0.780 41.539 40.800 -0.069 0.000 1.057 123 D HN 0.388 nan 8.370 nan 0.000 0.491 124 H N 1.601 120.451 119.070 -0.366 0.000 2.555 124 H HA 0.147 4.703 4.556 -0.000 0.000 0.269 124 H C 0.896 176.204 175.328 -0.034 0.000 0.988 124 H CA 0.176 56.064 56.048 -0.267 0.000 1.178 124 H CB 0.200 29.709 29.762 -0.422 0.000 1.373 124 H HN 0.170 nan 8.280 nan 0.000 0.588 125 N N 1.282 119.704 118.700 -0.464 0.000 2.331 125 N HA -0.088 4.652 4.740 -0.000 0.000 0.180 125 N C 1.099 176.549 175.510 -0.099 0.000 1.019 125 N CA 0.702 53.580 53.050 -0.287 0.000 0.881 125 N CB 0.070 38.370 38.487 -0.311 0.000 0.972 125 N HN 0.443 nan 8.380 nan 0.000 0.435 126 K N 0.648 121.017 120.400 -0.052 0.000 2.525 126 K HA 0.039 4.359 4.320 -0.000 0.000 0.192 126 K C 0.504 177.132 176.600 0.047 0.000 1.029 126 K CA -0.193 56.096 56.287 0.003 0.000 1.029 126 K CB -0.206 32.306 32.500 0.021 0.000 0.814 126 K HN 0.105 nan 8.250 nan 0.000 0.503 127 L N 1.651 122.922 121.223 0.080 0.000 2.367 127 L HA 0.048 4.388 4.340 -0.000 0.000 0.275 127 L C -0.507 176.398 176.870 0.057 0.000 1.129 127 L CA -0.093 54.817 54.840 0.117 0.000 0.839 127 L CB 1.011 43.202 42.059 0.218 0.000 1.133 127 L HN -0.235 nan 8.230 nan 0.000 0.453 128 V N 6.459 126.396 119.914 0.039 0.000 2.394 128 V HA 0.762 4.881 4.120 -0.000 0.000 0.282 128 V C 0.872 176.948 176.094 -0.030 0.000 1.031 128 V CA 0.254 62.556 62.300 0.005 0.000 0.881 128 V CB 0.187 32.014 31.823 0.007 0.000 0.982 128 V HN 1.148 nan 8.190 nan 0.000 0.451 129 G N 4.016 112.777 108.800 -0.065 0.000 2.547 129 G HA2 0.226 4.185 3.960 -0.000 0.000 0.271 129 G HA3 0.226 4.185 3.960 -0.000 0.000 0.271 129 G C 0.830 175.614 174.900 -0.194 0.000 1.209 129 G CA 0.046 45.053 45.100 -0.155 0.000 0.959 129 G HN 2.365 nan 8.290 nan 0.000 0.563 130 G N -3.258 105.290 108.800 -0.420 0.000 2.142 130 G HA2 0.210 4.169 3.960 -0.000 0.000 0.225 130 G HA3 0.210 4.169 3.960 -0.000 0.000 0.225 130 G C 0.085 174.778 174.900 -0.344 0.000 1.015 130 G CA 0.866 45.748 45.100 -0.363 0.000 0.716 130 G HN 2.048 nan 8.290 nan 0.000 0.508 131 V N 0.578 120.175 119.914 -0.529 0.000 2.670 131 V HA 0.447 4.566 4.120 -0.000 0.000 0.258 131 V C 0.277 176.229 176.094 -0.237 0.000 0.906 131 V CA -1.081 61.074 62.300 -0.242 0.000 0.887 131 V CB -0.155 31.606 31.823 -0.103 0.000 1.059 131 V HN 0.299 nan 8.190 nan 0.000 0.484 132 F N 0.456 120.434 119.950 0.046 0.000 2.299 132 F HA 0.416 4.943 4.527 -0.000 0.000 0.293 132 F C 1.103 176.942 175.800 0.065 0.000 1.252 132 F CA -0.558 57.469 58.000 0.045 0.000 1.160 132 F CB 0.482 39.512 39.000 0.051 0.000 1.405 132 F HN 0.264 nan 8.300 nan 0.000 0.517 133 E N 0.513 120.902 120.200 0.316 0.000 2.167 133 E HA 0.055 4.405 4.350 -0.000 0.000 0.284 133 E C -0.072 176.676 176.600 0.246 0.000 1.016 133 E CA -0.431 56.114 56.400 0.242 0.000 0.817 133 E CB 0.766 30.621 29.700 0.259 0.000 1.080 133 E HN 0.487 nan 8.360 nan 0.000 0.397 134 D N 3.543 124.046 120.400 0.170 0.000 2.220 134 D HA -0.247 4.392 4.640 -0.000 0.000 0.198 134 D C 1.538 177.901 176.300 0.105 0.000 1.001 134 D CA 1.249 55.326 54.000 0.127 0.000 0.875 134 D CB 0.124 40.978 40.800 0.090 0.000 0.921 134 D HN 0.483 nan 8.370 nan 0.000 0.454 135 K N -0.760 119.711 120.400 0.117 0.000 2.063 135 K HA -0.194 4.126 4.320 -0.000 0.000 0.208 135 K C 1.631 178.170 176.600 -0.102 0.000 1.048 135 K CA 1.223 57.510 56.287 0.001 0.000 0.928 135 K CB -0.108 32.394 32.500 0.004 0.000 0.713 135 K HN 0.214 nan 8.250 nan 0.000 0.442 136 Y N -0.245 120.089 120.300 0.056 0.000 2.389 136 Y HA 0.142 4.692 4.550 -0.000 0.000 0.292 136 Y C 0.300 176.216 175.900 0.027 0.000 1.117 136 Y CA -0.073 58.051 58.100 0.040 0.000 1.195 136 Y CB 0.900 39.380 38.460 0.032 0.000 1.076 136 Y HN -0.235 nan 8.280 nan 0.000 0.548 137 V N 1.892 121.915 119.914 0.182 0.000 2.376 137 V HA 0.221 4.341 4.120 -0.000 0.000 0.287 137 V C 0.266 176.425 176.094 0.107 0.000 1.015 137 V CA -1.053 61.313 62.300 0.110 0.000 0.834 137 V CB 1.631 33.492 31.823 0.062 0.000 1.001 137 V HN 0.089 nan 8.190 nan 0.000 0.428 138 K N 2.325 122.782 120.400 0.095 0.000 2.243 138 K HA 0.140 4.460 4.320 -0.000 0.000 0.201 138 K C 0.802 177.434 176.600 0.054 0.000 1.051 138 K CA 0.853 57.186 56.287 0.077 0.000 0.970 138 K CB 0.208 32.757 32.500 0.081 0.000 0.755 138 K HN 0.823 nan 8.250 nan 0.000 0.465 139 S N -1.316 114.407 115.700 0.038 0.000 2.615 139 S HA 0.489 4.959 4.470 -0.000 0.000 0.268 139 S C -0.971 173.628 174.600 -0.000 0.000 1.146 139 S CA -1.109 57.091 58.200 0.000 0.000 0.818 139 S CB 1.249 64.399 63.200 -0.084 0.000 1.111 139 S HN 0.095 nan 8.310 nan 0.000 0.465 140 C N 0.596 119.904 119.300 0.013 0.000 2.779 140 C HA 0.967 5.427 4.460 -0.000 0.000 0.314 140 C C -0.289 174.699 174.990 -0.004 0.000 1.231 140 C CA -0.614 58.418 59.018 0.024 0.000 1.652 140 C CB 1.811 29.605 27.740 0.090 0.000 2.198 140 C HN 1.079 nan 8.230 nan 0.000 0.483 141 R N 1.371 121.857 120.500 -0.024 0.000 2.566 141 R HA 0.736 5.076 4.340 -0.000 0.000 0.271 141 R C -2.067 174.171 176.300 -0.104 0.000 1.071 141 R CA -0.348 55.727 56.100 -0.042 0.000 0.915 141 R CB 0.992 31.255 30.300 -0.062 0.000 1.228 141 R HN 0.820 nan 8.270 nan 0.000 0.449 142 I N 4.420 124.902 120.570 -0.147 0.000 2.498 142 I HA 0.544 4.714 4.170 -0.000 0.000 0.290 142 I C -0.475 175.400 176.117 -0.404 0.000 1.032 142 I CA -0.973 60.085 61.300 -0.404 0.000 1.073 142 I CB 1.862 39.446 38.000 -0.694 0.000 1.251 142 I HN 0.575 nan 8.210 nan 0.000 0.426 143 R N 5.771 126.048 120.500 -0.372 0.000 2.774 143 R HA 0.836 5.176 4.340 -0.000 0.000 0.272 143 R C -1.805 174.499 176.300 0.007 0.000 1.000 143 R CA -0.298 55.757 56.100 -0.075 0.000 0.906 143 R CB 2.457 32.665 30.300 -0.152 0.000 1.227 143 R HN 0.905 nan 8.270 nan 0.000 0.468 144 C N -0.249 119.152 119.300 0.169 0.000 3.170 144 C HA 0.864 5.324 4.460 -0.000 0.000 0.319 144 C C 0.074 175.085 174.990 0.035 0.000 1.260 144 C CA -0.427 58.655 59.018 0.106 0.000 1.374 144 C CB 1.297 29.165 27.740 0.214 0.000 1.739 144 C HN 0.940 nan 8.230 nan 0.000 0.479 145 G N 1.970 110.774 108.800 0.007 0.000 2.412 145 G HA2 0.756 4.716 3.960 -0.000 0.000 0.318 145 G HA3 0.756 4.716 3.960 -0.000 0.000 0.318 145 G C -0.974 173.913 174.900 -0.023 0.000 1.146 145 G CA -0.444 44.659 45.100 0.006 0.000 0.882 145 G HN 0.864 nan 8.290 nan 0.000 0.501 146 R N -0.149 120.347 120.500 -0.007 0.000 2.725 146 R HA 0.631 4.971 4.340 -0.000 0.000 0.277 146 R C -1.100 175.235 176.300 0.059 0.000 0.987 146 R CA -0.837 55.251 56.100 -0.020 0.000 0.901 146 R CB 2.024 32.276 30.300 -0.080 0.000 1.207 146 R HN 0.472 nan 8.270 nan 0.000 0.463 147 S N 0.658 116.411 115.700 0.088 0.000 2.605 147 S HA 0.347 4.817 4.470 -0.000 0.000 0.308 147 S C -0.333 174.402 174.600 0.225 0.000 1.113 147 S CA -0.711 57.575 58.200 0.144 0.000 1.049 147 S CB 2.012 65.226 63.200 0.024 0.000 1.001 147 S HN 0.247 nan 8.310 nan 0.000 0.480 148 V N 4.687 124.837 119.914 0.394 0.000 2.439 148 V HA 0.180 4.300 4.120 -0.000 0.000 0.271 148 V C 0.690 176.867 176.094 0.139 0.000 1.040 148 V CA -0.373 62.016 62.300 0.148 0.000 1.002 148 V CB 0.307 32.082 31.823 -0.079 0.000 1.000 148 V HN 0.796 nan 8.190 nan 0.000 0.477 149 K N 4.120 124.572 120.400 0.086 0.000 2.295 149 K HA 0.482 4.802 4.320 -0.000 0.000 0.270 149 K C 1.055 177.679 176.600 0.040 0.000 1.011 149 K CA 0.586 56.902 56.287 0.049 0.000 0.953 149 K CB 0.675 33.196 32.500 0.035 0.000 0.956 149 K HN 0.908 nan 8.250 nan 0.000 0.477 150 G N 0.910 109.726 108.800 0.026 0.000 2.213 150 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.226 150 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.226 150 G C -0.479 174.452 174.900 0.052 0.000 0.992 150 G CA -0.009 45.117 45.100 0.043 0.000 0.632 150 G HN 0.576 nan 8.290 nan 0.000 0.511 151 V N 0.588 120.537 119.914 0.058 0.000 3.007 151 V HA 0.577 4.697 4.120 -0.000 0.000 0.311 151 V C 1.072 177.254 176.094 0.147 0.000 1.120 151 V CA -0.590 61.757 62.300 0.078 0.000 0.980 151 V CB 1.859 33.692 31.823 0.016 0.000 1.033 151 V HN 0.483 nan 8.190 nan 0.000 0.429 152 C N 3.113 122.498 119.300 0.142 0.000 2.775 152 C HA 0.236 4.696 4.460 -0.000 0.000 0.391 152 C C 0.598 175.708 174.990 0.199 0.000 1.295 152 C CA -0.230 58.877 59.018 0.148 0.000 2.119 152 C CB -0.599 27.218 27.740 0.128 0.000 2.705 152 C HN 0.618 nan 8.230 nan 0.000 0.710 153 L N 2.876 124.140 121.223 0.069 0.000 2.421 153 L HA 0.262 4.602 4.340 -0.000 0.000 0.263 153 L C -1.276 175.609 176.870 0.024 0.000 1.122 153 L CA -1.222 53.564 54.840 -0.091 0.000 0.804 153 L CB 0.324 42.319 42.059 -0.107 0.000 1.150 153 L HN 0.432 nan 8.230 nan 0.000 0.457 154 P HA -0.210 nan 4.420 nan 0.000 0.219 154 P C -1.526 175.812 177.300 0.063 0.000 1.153 154 P CA 1.682 64.822 63.100 0.066 0.000 0.865 154 P CB -0.800 30.925 31.700 0.041 0.000 0.788 155 P HA -0.088 nan 4.420 nan 0.000 0.220 155 P C 0.856 178.194 177.300 0.063 0.000 1.148 155 P CA 2.024 65.153 63.100 0.048 0.000 0.803 155 P CB -0.268 31.456 31.700 0.041 0.000 0.782 156 A N -1.057 121.809 122.820 0.078 0.000 2.456 156 A HA 0.276 4.596 4.320 -0.000 0.000 0.237 156 A C 1.205 178.841 177.584 0.087 0.000 1.217 156 A CA -0.258 51.830 52.037 0.085 0.000 0.962 156 A CB -0.578 18.482 19.000 0.101 0.000 1.079 156 A HN 0.172 nan 8.150 nan 0.000 0.536 157 M N 1.008 120.666 119.600 0.097 0.000 2.233 157 M HA 0.486 4.965 4.480 -0.000 0.000 0.350 157 M C 0.372 176.719 176.300 0.077 0.000 1.176 157 M CA 0.003 55.363 55.300 0.099 0.000 1.150 157 M CB 0.534 33.216 32.600 0.136 0.000 1.530 157 M HN 0.253 nan 8.290 nan 0.000 0.459 158 S N 2.741 118.479 115.700 0.064 0.000 2.608 158 S HA 0.264 4.734 4.470 -0.000 0.000 0.261 158 S C 0.883 175.507 174.600 0.041 0.000 1.314 158 S CA -0.524 57.706 58.200 0.049 0.000 0.992 158 S CB 1.123 64.348 63.200 0.041 0.000 0.935 158 S HN 0.924 nan 8.310 nan 0.000 0.564 159 R N 0.385 120.905 120.500 0.033 0.000 2.120 159 R HA -0.088 4.252 4.340 -0.000 0.000 0.234 159 R C 2.590 178.897 176.300 0.011 0.000 1.123 159 R CA 1.345 57.458 56.100 0.022 0.000 0.975 159 R CB -1.027 29.286 30.300 0.021 0.000 0.866 159 R HN 0.831 nan 8.270 nan 0.000 0.446 160 A N 1.193 124.021 122.820 0.013 0.000 1.883 160 A HA -0.232 4.088 4.320 -0.000 0.000 0.217 160 A C 1.877 179.457 177.584 -0.006 0.000 1.186 160 A CA 1.632 53.671 52.037 0.004 0.000 0.624 160 A CB -0.359 18.648 19.000 0.011 0.000 0.822 160 A HN 0.349 nan 8.150 nan 0.000 0.444 161 E N -1.055 119.146 120.200 0.002 0.000 2.072 161 E HA -0.140 4.210 4.350 -0.000 0.000 0.190 161 E C 2.343 178.916 176.600 -0.046 0.000 0.982 161 E CA 0.914 57.306 56.400 -0.014 0.000 0.803 161 E CB -0.158 29.553 29.700 0.018 0.000 0.755 161 E HN 0.544 nan 8.360 nan 0.000 0.453 162 R N 0.981 121.470 120.500 -0.018 0.000 2.081 162 R HA -0.110 4.230 4.340 -0.000 0.000 0.235 162 R C 2.264 178.532 176.300 -0.053 0.000 1.131 162 R CA 1.343 57.426 56.100 -0.029 0.000 0.960 162 R CB 0.041 30.346 30.300 0.009 0.000 0.856 162 R HN 0.030 nan 8.270 nan 0.000 0.436 163 R N 0.025 120.500 120.500 -0.041 0.000 2.096 163 R HA -0.143 4.197 4.340 -0.000 0.000 0.235 163 R C 2.249 178.504 176.300 -0.074 0.000 1.127 163 R CA 1.124 57.195 56.100 -0.048 0.000 0.968 163 R CB -0.397 29.885 30.300 -0.031 0.000 0.861 163 R HN 0.151 nan 8.270 nan 0.000 0.440 164 L N 0.603 121.779 121.223 -0.078 0.000 1.970 164 L HA -0.162 4.178 4.340 -0.000 0.000 0.212 164 L C 2.073 178.847 176.870 -0.161 0.000 1.071 164 L CA 1.680 56.459 54.840 -0.102 0.000 0.751 164 L CB -0.620 41.389 42.059 -0.083 0.000 0.889 164 L HN -0.077 nan 8.230 nan 0.000 0.432 165 V N -0.094 119.704 119.914 -0.194 0.000 2.332 165 V HA -0.331 3.788 4.120 -0.000 0.000 0.248 165 V C 2.643 178.606 176.094 -0.220 0.000 1.055 165 V CA 2.098 64.236 62.300 -0.270 0.000 1.038 165 V CB -0.705 30.875 31.823 -0.406 0.000 0.651 165 V HN 0.606 nan 8.190 nan 0.000 0.450 166 E N -0.320 119.783 120.200 -0.162 0.000 2.110 166 E HA -0.251 4.098 4.350 -0.000 0.000 0.193 166 E C 2.327 178.787 176.600 -0.233 0.000 0.988 166 E CA 0.987 57.292 56.400 -0.158 0.000 0.804 166 E CB 0.007 29.654 29.700 -0.088 0.000 0.745 166 E HN 0.334 nan 8.360 nan 0.000 0.458 167 K N 0.442 120.726 120.400 -0.194 0.000 2.062 167 K HA -0.051 4.269 4.320 -0.000 0.000 0.205 167 K C 2.064 178.543 176.600 -0.202 0.000 1.051 167 K CA 0.638 56.814 56.287 -0.186 0.000 0.941 167 K CB -0.269 32.154 32.500 -0.127 0.000 0.719 167 K HN 0.073 nan 8.250 nan 0.000 0.440 168 V N 0.840 120.612 119.914 -0.237 0.000 2.515 168 V HA -0.167 3.952 4.120 -0.000 0.000 0.250 168 V C 2.340 178.265 176.094 -0.282 0.000 1.058 168 V CA 1.154 63.263 62.300 -0.319 0.000 1.064 168 V CB -0.012 31.468 31.823 -0.571 0.000 0.675 168 V HN -0.000 nan 8.190 nan 0.000 0.461 169 V N 0.372 120.130 119.914 -0.259 0.000 2.535 169 V HA -0.103 4.017 4.120 -0.000 0.000 0.246 169 V C 2.531 178.477 176.094 -0.245 0.000 1.045 169 V CA 1.737 63.906 62.300 -0.218 0.000 1.058 169 V CB -0.138 31.584 31.823 -0.168 0.000 0.689 169 V HN 0.732 nan 8.190 nan 0.000 0.461 170 S N -0.606 114.905 115.700 -0.315 0.000 2.461 170 S HA -0.148 4.321 4.470 -0.000 0.000 0.228 170 S C 1.491 175.948 174.600 -0.237 0.000 1.005 170 S CA 1.055 59.030 58.200 -0.374 0.000 0.942 170 S CB -0.280 62.492 63.200 -0.713 0.000 0.776 170 S HN 0.518 nan 8.310 nan 0.000 0.514 171 D N 2.699 122.987 120.400 -0.187 0.000 2.075 171 D HA 0.118 4.758 4.640 -0.000 0.000 0.196 171 D C 2.421 178.660 176.300 -0.101 0.000 0.985 171 D CA 1.611 55.543 54.000 -0.113 0.000 0.834 171 D CB -0.936 39.821 40.800 -0.073 0.000 0.987 171 D HN 0.460 nan 8.370 nan 0.000 0.452 172 A N 0.758 123.521 122.820 -0.095 0.000 1.927 172 A HA -0.202 4.117 4.320 -0.000 0.000 0.220 172 A C 2.377 179.867 177.584 -0.157 0.000 1.185 172 A CA 1.315 53.298 52.037 -0.090 0.000 0.639 172 A CB -1.015 17.948 19.000 -0.062 0.000 0.820 172 A HN 0.276 nan 8.150 nan 0.000 0.451 173 L N -0.702 120.371 121.223 -0.251 0.000 2.362 173 L HA -0.093 4.247 4.340 -0.000 0.000 0.219 173 L C 2.647 179.371 176.870 -0.245 0.000 1.134 173 L CA 0.646 55.229 54.840 -0.428 0.000 0.807 173 L CB -0.476 41.114 42.059 -0.781 0.000 0.927 173 L HN 0.501 nan 8.230 nan 0.000 0.447 174 G N -0.410 108.327 108.800 -0.105 0.000 2.448 174 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.219 174 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.219 174 G C 1.590 176.487 174.900 -0.006 0.000 1.127 174 G CA 0.635 45.732 45.100 -0.004 0.000 0.766 174 G HN 0.490 nan 8.290 nan 0.000 0.552 175 G N 0.464 109.235 108.800 -0.048 0.000 2.479 175 G HA2 -0.025 3.934 3.960 -0.000 0.000 0.220 175 G HA3 -0.025 3.934 3.960 -0.000 0.000 0.220 175 G C 0.842 175.730 174.900 -0.021 0.000 1.115 175 G CA -0.161 44.917 45.100 -0.037 0.000 0.757 175 G HN 0.413 nan 8.290 nan 0.000 0.560 176 L N 0.795 122.009 121.223 -0.017 0.000 2.490 176 L HA 0.199 4.539 4.340 -0.000 0.000 0.274 176 L C 0.355 177.262 176.870 0.062 0.000 1.201 176 L CA 0.255 55.110 54.840 0.025 0.000 0.869 176 L CB 0.555 42.665 42.059 0.085 0.000 1.123 176 L HN 0.078 nan 8.230 nan 0.000 0.484 177 K N 1.732 122.153 120.400 0.035 0.000 2.331 177 K HA 0.725 5.045 4.320 -0.000 0.000 0.238 177 K C 0.245 176.862 176.600 0.027 0.000 1.058 177 K CA 0.011 56.318 56.287 0.032 0.000 0.871 177 K CB 1.459 33.965 32.500 0.009 0.000 1.292 177 K HN 0.723 nan 8.250 nan 0.000 0.470 178 G N 1.444 110.255 108.800 0.020 0.000 2.598 178 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.244 178 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.244 178 G C 0.230 175.144 174.900 0.024 0.000 1.302 178 G CA 0.649 45.755 45.100 0.010 0.000 0.903 178 G HN 0.736 nan 8.290 nan 0.000 0.575 179 D N 0.136 120.543 120.400 0.011 0.000 2.378 179 D HA 0.044 4.683 4.640 -0.000 0.000 0.227 179 D C 2.297 178.625 176.300 0.046 0.000 1.012 179 D CA 1.061 55.074 54.000 0.021 0.000 0.905 179 D CB -0.054 40.750 40.800 0.007 0.000 0.895 179 D HN 0.442 nan 8.370 nan 0.000 0.532 180 L N 0.025 121.279 121.223 0.052 0.000 2.249 180 L HA 0.215 4.555 4.340 -0.000 0.000 0.207 180 L C 1.442 178.526 176.870 0.357 0.000 1.090 180 L CA 0.206 55.120 54.840 0.122 0.000 0.802 180 L CB -0.468 41.566 42.059 -0.041 0.000 0.947 180 L HN 0.021 nan 8.230 nan 0.000 0.453 181 A N 0.109 123.095 122.820 0.276 0.000 2.555 181 A HA 0.425 4.744 4.320 -0.000 0.000 0.233 181 A C 0.524 178.253 177.584 0.240 0.000 1.060 181 A CA 0.912 53.180 52.037 0.385 0.000 0.759 181 A CB -0.007 19.119 19.000 0.210 0.000 0.995 181 A HN 0.362 nan 8.150 nan 0.000 0.506 182 G N 0.194 109.130 108.800 0.227 0.000 2.650 182 G HA2 0.531 4.491 3.960 -0.000 0.000 0.310 182 G HA3 0.531 4.491 3.960 -0.000 0.000 0.310 182 G C -1.046 173.591 174.900 -0.439 0.000 1.270 182 G CA -0.490 44.333 45.100 -0.460 0.000 0.810 182 G HN 0.808 nan 8.290 nan 0.000 0.493 183 K N -0.999 118.888 120.400 -0.854 0.000 2.281 183 K HA 0.577 4.896 4.320 -0.000 0.000 0.242 183 K C -1.699 174.395 176.600 -0.844 0.000 0.971 183 K CA -0.858 55.004 56.287 -0.708 0.000 0.834 183 K CB 2.121 34.109 32.500 -0.853 0.000 1.181 183 K HN 0.473 nan 8.250 nan 0.000 0.435 184 Y N 2.443 122.476 120.300 -0.445 0.000 2.353 184 Y HA 0.268 4.817 4.550 -0.000 0.000 0.340 184 Y C -1.561 174.095 175.900 -0.406 0.000 0.972 184 Y CA -0.422 57.562 58.100 -0.193 0.000 1.157 184 Y CB 0.498 39.012 38.460 0.089 0.000 1.157 184 Y HN 0.434 nan 8.280 nan 0.000 0.495 185 Y N 8.399 128.323 120.300 -0.626 0.000 2.841 185 Y HA 0.328 4.878 4.550 -0.000 0.000 0.329 185 Y C -2.043 173.470 175.900 -0.644 0.000 1.062 185 Y CA -2.869 54.938 58.100 -0.488 0.000 1.281 185 Y CB 0.008 38.282 38.460 -0.309 0.000 1.147 185 Y HN 0.544 nan 8.280 nan 0.000 0.521 186 P HA -0.127 nan 4.420 nan 0.000 0.266 186 P C 0.556 177.775 177.300 -0.136 0.000 1.193 186 P CA 0.032 62.976 63.100 -0.261 0.000 0.770 186 P CB 1.632 33.369 31.700 0.063 0.000 0.836 187 L N 3.142 124.296 121.223 -0.114 0.000 2.209 187 L HA -0.074 4.265 4.340 -0.000 0.000 0.207 187 L C 2.598 179.423 176.870 -0.076 0.000 1.094 187 L CA 2.273 57.046 54.840 -0.111 0.000 0.790 187 L CB -1.447 40.518 42.059 -0.158 0.000 0.932 187 L HN 0.486 nan 8.230 nan 0.000 0.447 188 T N -4.528 109.987 114.554 -0.065 0.000 2.881 188 T HA -0.175 4.175 4.350 -0.000 0.000 0.270 188 T C 1.471 176.163 174.700 -0.014 0.000 1.068 188 T CA 1.576 63.654 62.100 -0.038 0.000 1.131 188 T CB -0.889 67.963 68.868 -0.026 0.000 0.871 188 T HN 0.458 nan 8.240 nan 0.000 0.479 189 T N -1.804 112.743 114.554 -0.011 0.000 3.134 189 T HA 0.458 4.808 4.350 -0.000 0.000 0.260 189 T C 0.212 174.909 174.700 -0.005 0.000 1.027 189 T CA -0.709 61.392 62.100 0.001 0.000 0.913 189 T CB -0.348 68.529 68.868 0.015 0.000 1.046 189 T HN 0.423 nan 8.240 nan 0.000 0.553 190 M N 3.685 123.272 119.600 -0.021 0.000 2.264 190 M HA 0.380 4.860 4.480 -0.000 0.000 0.352 190 M C -0.276 176.009 176.300 -0.026 0.000 1.173 190 M CA -0.833 54.447 55.300 -0.032 0.000 1.075 190 M CB 1.126 33.691 32.600 -0.059 0.000 1.621 190 M HN 0.321 nan 8.290 nan 0.000 0.457 191 N N 3.060 121.743 118.700 -0.028 0.000 2.515 191 N HA 0.013 4.752 4.740 -0.000 0.000 0.279 191 N C 0.120 175.617 175.510 -0.022 0.000 1.164 191 N CA -0.130 52.909 53.050 -0.019 0.000 0.982 191 N CB 1.166 39.643 38.487 -0.017 0.000 1.170 191 N HN 0.926 nan 8.380 nan 0.000 0.474 192 E N 1.492 121.686 120.200 -0.010 0.000 2.273 192 E HA -0.213 4.137 4.350 -0.000 0.000 0.198 192 E C 0.938 177.525 176.600 -0.021 0.000 1.002 192 E CA 1.516 57.911 56.400 -0.008 0.000 0.828 192 E CB 0.181 29.882 29.700 0.002 0.000 0.747 192 E HN 0.659 nan 8.360 nan 0.000 0.491 193 K N -0.164 120.220 120.400 -0.027 0.000 2.186 193 K HA -0.043 4.277 4.320 -0.000 0.000 0.202 193 K C 1.595 178.168 176.600 -0.046 0.000 1.052 193 K CA 1.071 57.338 56.287 -0.034 0.000 0.965 193 K CB 0.226 32.708 32.500 -0.029 0.000 0.746 193 K HN 0.097 nan 8.250 nan 0.000 0.457 194 D N 0.891 121.258 120.400 -0.054 0.000 2.123 194 D HA -0.154 4.486 4.640 -0.000 0.000 0.200 194 D C 1.860 178.114 176.300 -0.077 0.000 0.976 194 D CA 1.035 54.991 54.000 -0.073 0.000 0.831 194 D CB -0.025 40.719 40.800 -0.093 0.000 0.974 194 D HN 0.166 nan 8.370 nan 0.000 0.469 195 Q N 0.391 120.150 119.800 -0.068 0.000 2.096 195 Q HA -0.164 4.175 4.340 -0.000 0.000 0.204 195 Q C 1.838 177.798 176.000 -0.067 0.000 0.982 195 Q CA 1.208 56.969 55.803 -0.070 0.000 0.850 195 Q CB 0.113 28.826 28.738 -0.042 0.000 0.901 195 Q HN 0.357 nan 8.270 nan 0.000 0.422 196 E N -0.331 119.836 120.200 -0.055 0.000 2.150 196 E HA -0.223 4.127 4.350 -0.000 0.000 0.193 196 E C 1.925 178.478 176.600 -0.078 0.000 0.985 196 E CA 0.887 57.252 56.400 -0.059 0.000 0.814 196 E CB 0.093 29.764 29.700 -0.048 0.000 0.752 196 E HN 0.224 nan 8.360 nan 0.000 0.466 197 Q N 0.939 120.694 119.800 -0.074 0.000 2.083 197 Q HA -0.056 4.284 4.340 -0.000 0.000 0.198 197 Q C 1.973 177.921 176.000 -0.087 0.000 0.969 197 Q CA 1.034 56.789 55.803 -0.080 0.000 0.838 197 Q CB -0.095 28.606 28.738 -0.062 0.000 0.900 197 Q HN 0.251 nan 8.270 nan 0.000 0.436 198 L N -0.200 120.987 121.223 -0.061 0.000 2.131 198 L HA -0.128 4.212 4.340 -0.000 0.000 0.210 198 L C 2.156 178.983 176.870 -0.072 0.000 1.092 198 L CA 0.885 55.719 54.840 -0.010 0.000 0.759 198 L CB -0.278 41.773 42.059 -0.013 0.000 0.903 198 L HN 0.317 nan 8.230 nan 0.000 0.435 199 I N -0.904 119.603 120.570 -0.106 0.000 2.333 199 I HA -0.202 3.968 4.170 -0.000 0.000 0.246 199 I C 2.371 178.367 176.117 -0.201 0.000 1.106 199 I CA 0.971 62.204 61.300 -0.112 0.000 1.411 199 I CB -0.187 37.762 38.000 -0.086 0.000 1.082 199 I HN 0.232 nan 8.210 nan 0.000 0.420 200 E N 0.631 120.692 120.200 -0.231 0.000 2.274 200 E HA -0.168 4.182 4.350 -0.000 0.000 0.194 200 E C 0.680 176.959 176.600 -0.535 0.000 0.996 200 E CA 0.781 56.986 56.400 -0.325 0.000 0.840 200 E CB 0.013 29.585 29.700 -0.213 0.000 0.772 200 E HN 0.467 nan 8.360 nan 0.000 0.491 201 D N -0.497 119.599 120.400 -0.507 0.000 2.328 201 D HA -0.016 4.624 4.640 -0.000 0.000 0.221 201 D C 0.113 175.814 176.300 -0.998 0.000 1.072 201 D CA 0.150 53.704 54.000 -0.744 0.000 0.850 201 D CB 0.164 40.561 40.800 -0.672 0.000 0.922 201 D HN 0.217 nan 8.370 nan 0.000 0.516 202 H N -1.805 116.983 119.070 -0.470 0.000 3.641 202 H HA -0.197 4.359 4.556 -0.000 0.000 0.193 202 H C 1.046 176.295 175.328 -0.132 0.000 1.013 202 H CA 0.779 56.656 56.048 -0.284 0.000 1.212 202 H CB -1.751 27.836 29.762 -0.292 0.000 1.089 202 H HN 0.234 nan 8.280 nan 0.000 0.339 203 F N 0.290 120.311 119.950 0.119 0.000 2.094 203 F HA 0.099 4.625 4.527 -0.000 0.000 0.291 203 F C 1.757 177.709 175.800 0.252 0.000 1.109 203 F CA 0.516 58.590 58.000 0.122 0.000 1.221 203 F CB -0.470 38.521 39.000 -0.016 0.000 1.014 203 F HN 0.053 nan 8.300 nan 0.000 0.473 204 L N 0.421 121.798 121.223 0.257 0.000 2.456 204 L HA 0.313 4.653 4.340 -0.000 0.000 0.257 204 L C -0.165 176.645 176.870 -0.101 0.000 1.162 204 L CA -1.202 53.628 54.840 -0.017 0.000 0.808 204 L CB 0.179 42.086 42.059 -0.253 0.000 1.136 204 L HN 0.046 nan 8.230 nan 0.000 0.466 205 F N -0.056 119.622 119.950 -0.454 0.000 2.406 205 F HA 0.475 5.002 4.527 -0.000 0.000 0.327 205 F C 0.408 176.067 175.800 -0.234 0.000 1.153 205 F CA -1.060 56.575 58.000 -0.608 0.000 1.218 205 F CB -0.482 37.708 39.000 -1.351 0.000 1.215 205 F HN 0.681 nan 8.300 nan 0.000 0.570 206 E N 0.960 121.233 120.200 0.121 0.000 2.374 206 E HA 0.219 4.568 4.350 -0.000 0.000 0.260 206 E C -0.746 175.896 176.600 0.069 0.000 1.101 206 E CA -0.949 55.486 56.400 0.058 0.000 0.907 206 E CB 0.587 30.293 29.700 0.010 0.000 1.014 206 E HN 0.601 nan 8.360 nan 0.000 0.427 207 K N 1.291 121.692 120.400 0.002 0.000 2.542 207 K HA 0.008 4.327 4.320 -0.000 0.000 0.276 207 K C -1.810 174.637 176.600 -0.256 0.000 0.963 207 K CA -0.770 55.473 56.287 -0.073 0.000 0.975 207 K CB -0.005 32.453 32.500 -0.069 0.000 0.901 207 K HN 0.515 nan 8.250 nan 0.000 0.506 208 P HA -0.011 nan 4.420 nan 0.000 0.237 208 P C -0.215 176.847 177.300 -0.397 0.000 1.788 208 P CA 0.251 62.908 63.100 -0.738 0.000 1.061 208 P CB -0.247 30.617 31.700 -1.394 0.000 1.967 209 T N -2.718 111.690 114.554 -0.242 0.000 3.058 209 T HA 0.230 4.580 4.350 -0.000 0.000 0.278 209 T C 0.967 175.612 174.700 -0.092 0.000 0.974 209 T CA -0.153 61.859 62.100 -0.146 0.000 0.893 209 T CB -0.140 68.669 68.868 -0.098 0.000 1.138 209 T HN 0.184 nan 8.240 nan 0.000 0.529 210 G N 0.747 109.487 108.800 -0.099 0.000 2.380 210 G HA2 0.464 4.424 3.960 -0.000 0.000 0.242 210 G HA3 0.464 4.424 3.960 -0.000 0.000 0.242 210 G C 1.138 176.011 174.900 -0.044 0.000 1.298 210 G CA -0.113 44.960 45.100 -0.044 0.000 0.878 210 G HN 0.427 nan 8.290 nan 0.000 0.542 211 A N 2.781 125.594 122.820 -0.011 0.000 1.877 211 A HA -0.067 4.253 4.320 -0.000 0.000 0.216 211 A C 2.332 179.900 177.584 -0.026 0.000 1.186 211 A CA 1.725 53.749 52.037 -0.022 0.000 0.620 211 A CB -0.501 18.490 19.000 -0.014 0.000 0.822 211 A HN 0.790 nan 8.150 nan 0.000 0.443 212 L N -0.632 120.581 121.223 -0.015 0.000 1.955 212 L HA -0.175 4.165 4.340 -0.000 0.000 0.213 212 L C 2.328 179.177 176.870 -0.037 0.000 1.072 212 L CA 2.355 57.182 54.840 -0.021 0.000 0.755 212 L CB -0.775 41.276 42.059 -0.013 0.000 0.888 212 L HN 0.374 nan 8.230 nan 0.000 0.432 213 L N -0.756 120.435 121.223 -0.053 0.000 1.978 213 L HA -0.287 4.053 4.340 -0.000 0.000 0.218 213 L C 2.700 179.525 176.870 -0.076 0.000 1.075 213 L CA 2.859 57.653 54.840 -0.077 0.000 0.767 213 L CB -1.010 40.966 42.059 -0.138 0.000 0.890 213 L HN 0.725 nan 8.230 nan 0.000 0.434 214 T N -4.608 109.893 114.554 -0.089 0.000 2.737 214 T HA -0.190 4.160 4.350 -0.000 0.000 0.265 214 T C 1.810 176.484 174.700 -0.044 0.000 1.038 214 T CA 1.676 63.730 62.100 -0.077 0.000 1.144 214 T CB -1.299 67.516 68.868 -0.088 0.000 0.866 214 T HN 0.558 nan 8.240 nan 0.000 0.434 215 T N 0.472 115.002 114.554 -0.039 0.000 3.072 215 T HA 0.043 4.393 4.350 -0.000 0.000 0.266 215 T C 1.973 176.659 174.700 -0.023 0.000 1.127 215 T CA 1.040 63.122 62.100 -0.030 0.000 1.107 215 T CB -0.654 68.196 68.868 -0.031 0.000 0.910 215 T HN 0.591 nan 8.240 nan 0.000 0.513 216 S N -0.399 115.287 115.700 -0.022 0.000 2.556 216 S HA 0.503 4.973 4.470 -0.000 0.000 0.216 216 S C 1.837 176.438 174.600 0.002 0.000 0.970 216 S CA 0.252 58.444 58.200 -0.014 0.000 0.912 216 S CB -0.332 62.856 63.200 -0.019 0.000 0.790 216 S HN 1.144 nan 8.310 nan 0.000 0.504 217 G N 0.254 109.056 108.800 0.004 0.000 2.176 217 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.253 217 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.253 217 G C 0.748 175.674 174.900 0.043 0.000 0.979 217 G CA 0.024 45.138 45.100 0.024 0.000 0.641 217 G HN 0.619 nan 8.290 nan 0.000 0.530 218 C N 0.969 120.289 119.300 0.033 0.000 2.511 218 C HA 0.533 4.992 4.460 -0.000 0.000 0.277 218 C C 2.441 177.515 174.990 0.140 0.000 1.451 218 C CA 1.197 60.255 59.018 0.067 0.000 1.735 218 C CB -1.070 26.690 27.740 0.034 0.000 1.704 218 C HN 1.014 nan 8.230 nan 0.000 0.571 219 A N -0.305 122.577 122.820 0.104 0.000 2.564 219 A HA 0.292 4.612 4.320 -0.000 0.000 0.279 219 A C 0.582 178.298 177.584 0.220 0.000 1.232 219 A CA -0.366 51.782 52.037 0.184 0.000 0.950 219 A CB -0.088 18.823 19.000 -0.149 0.000 1.138 219 A HN 0.571 nan 8.150 nan 0.000 0.526 220 R N 1.426 122.022 120.500 0.161 0.000 2.698 220 R HA 0.150 4.490 4.340 -0.000 0.000 0.266 220 R C -0.149 176.252 176.300 0.169 0.000 1.026 220 R CA 0.692 56.872 56.100 0.133 0.000 1.102 220 R CB 0.092 30.447 30.300 0.092 0.000 0.978 220 R HN 0.426 nan 8.270 nan 0.000 0.436 221 D N -0.410 120.073 120.400 0.138 0.000 3.070 221 D HA -0.268 4.372 4.640 -0.000 0.000 0.220 221 D C -0.368 176.020 176.300 0.146 0.000 1.176 221 D CA 0.893 54.961 54.000 0.114 0.000 0.924 221 D CB -1.038 39.804 40.800 0.070 0.000 1.124 221 D HN 0.585 nan 8.370 nan 0.000 0.411 222 W N 2.889 124.200 121.300 0.018 0.000 2.343 222 W HA 0.076 4.736 4.660 -0.000 0.000 0.337 222 W C -1.431 175.104 176.519 0.028 0.000 1.320 222 W CA -0.223 57.136 57.345 0.023 0.000 1.290 222 W CB 0.287 29.755 29.460 0.015 0.000 1.206 222 W HN 0.015 nan 8.180 nan 0.000 0.565 223 P HA -0.007 nan 4.420 nan 0.000 0.259 223 P C -0.175 176.896 177.300 -0.383 0.000 1.530 223 P CA -0.123 62.529 63.100 -0.746 0.000 1.022 223 P CB -0.026 31.332 31.700 -0.570 0.000 1.514 224 D N 1.662 121.959 120.400 -0.171 0.000 2.502 224 D HA 0.096 4.736 4.640 -0.000 0.000 0.249 224 D C 1.469 177.709 176.300 -0.101 0.000 1.188 224 D CA 1.972 55.917 54.000 -0.092 0.000 0.890 224 D CB -0.150 40.633 40.800 -0.029 0.000 1.140 224 D HN 0.362 nan 8.370 nan 0.000 0.505 225 G N 3.386 112.144 108.800 -0.069 0.000 2.136 225 G HA2 -0.281 3.678 3.960 -0.000 0.000 0.242 225 G HA3 -0.281 3.678 3.960 -0.000 0.000 0.242 225 G C 0.365 175.244 174.900 -0.035 0.000 0.989 225 G CA 0.130 45.209 45.100 -0.035 0.000 0.682 225 G HN 0.587 nan 8.290 nan 0.000 0.522 226 R N -0.291 120.142 120.500 -0.110 0.000 2.668 226 R HA 0.809 5.149 4.340 -0.000 0.000 0.279 226 R C 0.642 176.948 176.300 0.009 0.000 0.976 226 R CA 0.670 56.698 56.100 -0.120 0.000 0.978 226 R CB 1.917 31.917 30.300 -0.501 0.000 1.133 226 R HN 1.056 nan 8.270 nan 0.000 0.484 227 G N 0.548 109.416 108.800 0.113 0.000 2.356 227 G HA2 0.387 4.347 3.960 -0.000 0.000 0.294 227 G HA3 0.387 4.347 3.960 -0.000 0.000 0.294 227 G C -1.894 173.046 174.900 0.067 0.000 1.423 227 G CA -0.677 44.405 45.100 -0.030 0.000 0.806 227 G HN 0.552 nan 8.290 nan 0.000 0.527 228 I N -0.461 120.060 120.570 -0.082 0.000 2.569 228 I HA 0.725 4.895 4.170 -0.000 0.000 0.290 228 I C -1.639 174.581 176.117 0.172 0.000 1.088 228 I CA -1.275 60.120 61.300 0.158 0.000 1.047 228 I CB 1.890 39.964 38.000 0.124 0.000 1.237 228 I HN 0.752 nan 8.210 nan 0.000 0.421 229 W N 8.349 129.743 121.300 0.156 0.000 2.520 229 W HA 0.621 5.281 4.660 -0.000 0.000 0.323 229 W C -1.277 175.318 176.519 0.127 0.000 1.062 229 W CA 0.134 57.534 57.345 0.091 0.000 1.215 229 W CB 0.824 30.387 29.460 0.172 0.000 1.340 229 W HN 0.669 nan 8.180 nan 0.000 0.516 230 H N 2.561 121.184 119.070 -0.745 0.000 3.112 230 H HA 0.337 4.893 4.556 -0.000 0.000 0.347 230 H C -0.485 174.342 175.328 -0.835 0.000 1.188 230 H CA -1.271 54.394 56.048 -0.639 0.000 1.240 230 H CB 0.137 29.760 29.762 -0.232 0.000 1.920 230 H HN 0.465 nan 8.280 nan 0.000 0.535 231 N N 1.860 120.332 118.700 -0.381 0.000 2.263 231 N HA -0.025 4.715 4.740 -0.000 0.000 0.239 231 N C 0.241 175.755 175.510 0.007 0.000 1.317 231 N CA -0.047 52.890 53.050 -0.189 0.000 0.909 231 N CB 0.281 38.783 38.487 0.025 0.000 1.171 231 N HN 0.720 nan 8.380 nan 0.000 0.492 232 N N 0.286 118.981 118.700 -0.009 0.000 2.013 232 N HA -0.176 4.564 4.740 -0.000 0.000 0.195 232 N C 1.115 176.603 175.510 -0.037 0.000 1.051 232 N CA 1.778 54.832 53.050 0.007 0.000 0.851 232 N CB -0.524 37.964 38.487 0.001 0.000 1.044 232 N HN 0.736 nan 8.380 nan 0.000 0.422 233 E N 0.791 120.970 120.200 -0.035 0.000 2.333 233 E HA -0.137 4.213 4.350 -0.000 0.000 0.200 233 E C 0.103 176.613 176.600 -0.151 0.000 1.010 233 E CA 0.526 56.892 56.400 -0.057 0.000 0.841 233 E CB -0.159 29.533 29.700 -0.014 0.000 0.757 233 E HN 0.266 nan 8.360 nan 0.000 0.508 234 K N 0.340 120.612 120.400 -0.213 0.000 3.117 234 K HA -0.184 4.136 4.320 -0.000 0.000 0.269 234 K C -0.070 176.336 176.600 -0.324 0.000 1.098 234 K CA 0.751 56.759 56.287 -0.465 0.000 0.785 234 K CB -1.146 30.775 32.500 -0.965 0.000 1.242 234 K HN 0.393 nan 8.250 nan 0.000 0.491 235 N N -0.315 118.345 118.700 -0.067 0.000 2.205 235 N HA 0.108 4.848 4.740 -0.000 0.000 0.201 235 N C -0.294 175.342 175.510 0.210 0.000 1.128 235 N CA -0.112 52.976 53.050 0.063 0.000 0.867 235 N CB 0.385 38.923 38.487 0.086 0.000 0.996 235 N HN 0.163 nan 8.380 nan 0.000 0.503 236 F N 0.796 120.771 119.950 0.042 0.000 2.557 236 F HA 0.650 5.177 4.527 -0.000 0.000 0.316 236 F C -1.787 174.133 175.800 0.201 0.000 1.141 236 F CA -1.175 56.907 58.000 0.136 0.000 0.922 236 F CB 1.120 40.221 39.000 0.169 0.000 1.194 236 F HN -0.176 nan 8.300 nan 0.000 0.443 237 L N 5.397 126.376 121.223 -0.407 0.000 2.479 237 L HA 0.828 5.168 4.340 -0.000 0.000 0.255 237 L C -1.276 175.514 176.870 -0.133 0.000 1.026 237 L CA -1.049 53.744 54.840 -0.079 0.000 0.842 237 L CB 2.091 44.176 42.059 0.043 0.000 1.444 237 L HN 0.316 nan 8.230 nan 0.000 0.409 238 V N -0.468 119.574 119.914 0.214 0.000 2.686 238 V HA 0.475 4.594 4.120 -0.000 0.000 0.306 238 V C -1.416 174.959 176.094 0.467 0.000 1.065 238 V CA -0.487 61.931 62.300 0.197 0.000 0.894 238 V CB 2.177 34.102 31.823 0.170 0.000 1.004 238 V HN 0.562 nan 8.190 nan 0.000 0.424 239 W N 4.727 126.164 121.300 0.227 0.000 2.351 239 W HA 0.662 5.321 4.660 -0.000 0.000 0.311 239 W C -0.224 176.468 176.519 0.290 0.000 1.168 239 W CA -1.344 56.211 57.345 0.350 0.000 1.200 239 W CB 0.984 30.697 29.460 0.421 0.000 1.221 239 W HN 0.320 nan 8.180 nan 0.000 0.519 240 I N 5.141 126.032 120.570 0.535 0.000 2.382 240 I HA 0.111 4.281 4.170 -0.000 0.000 0.285 240 I C 0.078 176.340 176.117 0.243 0.000 1.007 240 I CA -0.731 60.776 61.300 0.346 0.000 1.142 240 I CB 0.834 39.038 38.000 0.340 0.000 1.289 240 I HN 0.417 nan 8.210 nan 0.000 0.453 241 N N 3.895 122.700 118.700 0.175 0.000 2.816 241 N HA -0.167 4.573 4.740 -0.000 0.000 0.247 241 N C 0.560 176.046 175.510 -0.040 0.000 1.100 241 N CA 0.856 53.960 53.050 0.089 0.000 0.687 241 N CB -0.542 37.980 38.487 0.057 0.000 1.003 241 N HN 0.773 nan 8.380 nan 0.000 0.554 242 E N 0.727 120.839 120.200 -0.147 0.000 2.928 242 E HA 0.046 4.396 4.350 -0.000 0.000 0.352 242 E C 1.219 177.781 176.600 -0.064 0.000 0.523 242 E CA 0.105 56.311 56.400 -0.323 0.000 2.011 242 E CB 0.188 29.316 29.700 -0.953 0.000 1.898 242 E HN 0.408 nan 8.360 nan 0.000 0.516 243 E N -0.242 119.928 120.200 -0.049 0.000 2.122 243 E HA -0.049 4.300 4.350 -0.000 0.000 0.190 243 E C -0.281 176.328 176.600 0.015 0.000 0.977 243 E CA 0.452 56.853 56.400 0.003 0.000 0.820 243 E CB 0.385 30.096 29.700 0.018 0.000 0.770 243 E HN 0.173 nan 8.360 nan 0.000 0.462 244 D N -1.657 118.774 120.400 0.053 0.000 2.419 244 D HA 0.164 4.804 4.640 -0.000 0.000 0.234 244 D C 0.369 176.733 176.300 0.106 0.000 1.014 244 D CA -0.457 53.557 54.000 0.023 0.000 0.919 244 D CB 1.152 41.978 40.800 0.043 0.000 1.366 244 D HN 0.157 nan 8.370 nan 0.000 0.490 245 H N 0.296 119.401 119.070 0.060 0.000 2.265 245 H HA -0.074 4.482 4.556 -0.000 0.000 0.295 245 H C 0.383 175.756 175.328 0.076 0.000 1.084 245 H CA 1.010 57.088 56.048 0.050 0.000 1.261 245 H CB 0.298 30.073 29.762 0.023 0.000 1.360 245 H HN 0.241 nan 8.280 nan 0.000 0.487 246 I N 0.204 120.895 120.570 0.203 0.000 2.608 246 I HA 0.332 4.502 4.170 -0.000 0.000 0.295 246 I C -0.476 175.713 176.117 0.119 0.000 1.049 246 I CA -0.731 60.656 61.300 0.146 0.000 1.063 246 I CB 2.274 40.315 38.000 0.068 0.000 1.248 246 I HN 0.049 nan 8.210 nan 0.000 0.424 247 R N 4.370 124.946 120.500 0.128 0.000 2.532 247 R HA 0.615 4.954 4.340 -0.000 0.000 0.297 247 R C -1.518 174.733 176.300 -0.082 0.000 0.984 247 R CA -0.864 55.244 56.100 0.013 0.000 0.884 247 R CB 2.381 32.663 30.300 -0.030 0.000 1.182 247 R HN 0.332 nan 8.270 nan 0.000 0.442 248 V N 5.374 125.241 119.914 -0.077 0.000 2.370 248 V HA 0.514 4.634 4.120 -0.000 0.000 0.283 248 V C 0.191 176.278 176.094 -0.010 0.000 1.023 248 V CA -0.580 61.653 62.300 -0.112 0.000 0.857 248 V CB 1.449 33.224 31.823 -0.080 0.000 0.985 248 V HN 0.562 nan 8.190 nan 0.000 0.443 249 I N 3.774 124.232 120.570 -0.186 0.000 2.447 249 I HA 0.482 4.651 4.170 -0.000 0.000 0.287 249 I C -0.082 176.090 176.117 0.092 0.000 1.023 249 I CA -0.123 61.144 61.300 -0.055 0.000 1.083 249 I CB 2.118 39.985 38.000 -0.223 0.000 1.245 249 I HN 0.573 nan 8.210 nan 0.000 0.434 250 S N 8.327 124.217 115.700 0.316 0.000 2.473 250 S HA 0.919 5.389 4.470 -0.000 0.000 0.307 250 S C -0.626 174.083 174.600 0.181 0.000 1.094 250 S CA -0.559 57.848 58.200 0.346 0.000 1.070 250 S CB 0.830 64.337 63.200 0.511 0.000 1.019 250 S HN 0.649 nan 8.310 nan 0.000 0.480 251 M N 3.509 123.206 119.600 0.163 0.000 2.643 251 M HA 0.591 5.071 4.480 -0.000 0.000 0.276 251 M C -2.100 174.277 176.300 0.129 0.000 1.200 251 M CA -0.765 54.606 55.300 0.118 0.000 0.863 251 M CB 1.854 34.519 32.600 0.108 0.000 1.711 251 M HN 0.701 nan 8.290 nan 0.000 0.492 252 Q N 0.654 120.516 119.800 0.104 0.000 2.776 252 Q HA 0.537 4.876 4.340 -0.000 0.000 0.289 252 Q C -2.007 174.039 176.000 0.077 0.000 0.912 252 Q CA -1.247 54.619 55.803 0.105 0.000 0.789 252 Q CB 2.043 30.837 28.738 0.094 0.000 1.498 252 Q HN 0.833 nan 8.270 nan 0.000 0.408 253 K N 0.129 120.576 120.400 0.078 0.000 2.149 253 K HA 0.654 4.974 4.320 -0.000 0.000 0.245 253 K C 0.442 177.082 176.600 0.067 0.000 1.024 253 K CA 1.226 57.549 56.287 0.060 0.000 0.899 253 K CB 0.488 33.025 32.500 0.061 0.000 1.038 253 K HN 0.938 nan 8.250 nan 0.000 0.496 254 G N -0.592 108.250 108.800 0.069 0.000 2.568 254 G HA2 -0.105 3.855 3.960 -0.000 0.000 0.222 254 G HA3 -0.105 3.855 3.960 -0.000 0.000 0.222 254 G C 0.086 175.055 174.900 0.116 0.000 1.321 254 G CA -0.458 44.694 45.100 0.087 0.000 0.893 254 G HN 0.820 nan 8.290 nan 0.000 0.569 255 G N -0.739 108.149 108.800 0.147 0.000 4.803 255 G HA2 0.468 4.427 3.960 -0.000 0.000 0.266 255 G HA3 0.468 4.427 3.960 -0.000 0.000 0.266 255 G C -0.445 174.588 174.900 0.222 0.000 1.111 255 G CA 0.867 46.106 45.100 0.232 0.000 0.874 255 G HN 0.631 nan 8.290 nan 0.000 0.555 256 D N 1.329 121.819 120.400 0.151 0.000 2.540 256 D HA 0.193 4.833 4.640 -0.000 0.000 0.251 256 D C 1.491 177.866 176.300 0.125 0.000 1.159 256 D CA -0.483 53.582 54.000 0.109 0.000 0.974 256 D CB 0.667 41.516 40.800 0.081 0.000 0.996 256 D HN 0.113 nan 8.370 nan 0.000 0.512 257 L N 2.296 123.612 121.223 0.154 0.000 2.083 257 L HA -0.130 4.210 4.340 -0.000 0.000 0.209 257 L C 2.216 179.184 176.870 0.163 0.000 1.083 257 L CA 1.074 56.013 54.840 0.164 0.000 0.752 257 L CB 0.071 42.263 42.059 0.221 0.000 0.899 257 L HN 0.263 nan 8.230 nan 0.000 0.433 258 K N -0.443 120.041 120.400 0.140 0.000 2.152 258 K HA -0.198 4.122 4.320 -0.000 0.000 0.206 258 K C 1.959 178.658 176.600 0.165 0.000 1.048 258 K CA 1.334 57.738 56.287 0.194 0.000 0.933 258 K CB 0.002 32.582 32.500 0.133 0.000 0.721 258 K HN 0.395 nan 8.250 nan 0.000 0.447 259 A N 0.268 123.153 122.820 0.109 0.000 1.854 259 A HA -0.081 4.239 4.320 -0.000 0.000 0.214 259 A C 2.181 179.804 177.584 0.065 0.000 1.192 259 A CA 1.310 53.382 52.037 0.058 0.000 0.611 259 A CB -0.606 18.431 19.000 0.061 0.000 0.832 259 A HN 0.128 nan 8.150 nan 0.000 0.442 260 V N -0.708 119.279 119.914 0.121 0.000 2.392 260 V HA -0.242 3.878 4.120 -0.000 0.000 0.249 260 V C 2.301 178.548 176.094 0.255 0.000 1.059 260 V CA 2.124 64.520 62.300 0.160 0.000 1.051 260 V CB -0.933 30.970 31.823 0.134 0.000 0.658 260 V HN 0.597 nan 8.190 nan 0.000 0.455 261 F N 1.009 120.983 119.950 0.040 0.000 2.113 261 F HA -0.133 4.394 4.527 -0.000 0.000 0.297 261 F C 2.742 178.519 175.800 -0.038 0.000 1.103 261 F CA 1.520 59.560 58.000 0.066 0.000 1.248 261 F CB -0.965 38.083 39.000 0.078 0.000 0.999 261 F HN 0.180 nan 8.300 nan 0.000 0.475 262 S N 0.328 115.833 115.700 -0.324 0.000 2.359 262 S HA -0.302 4.168 4.470 -0.000 0.000 0.222 262 S C 2.462 176.857 174.600 -0.341 0.000 1.038 262 S CA 1.881 59.539 58.200 -0.903 0.000 1.051 262 S CB -0.568 62.153 63.200 -0.800 0.000 0.944 262 S HN 0.513 nan 8.310 nan 0.000 0.433 263 R N -0.871 119.561 120.500 -0.113 0.000 2.070 263 R HA -0.123 4.217 4.340 -0.000 0.000 0.233 263 R C 2.242 178.549 176.300 0.011 0.000 1.137 263 R CA 1.895 57.967 56.100 -0.048 0.000 0.945 263 R CB -0.786 29.537 30.300 0.038 0.000 0.845 263 R HN 0.539 nan 8.270 nan 0.000 0.430 264 F N 1.297 121.287 119.950 0.066 0.000 2.063 264 F HA -0.294 4.233 4.527 -0.000 0.000 0.298 264 F C 2.183 178.049 175.800 0.110 0.000 1.109 264 F CA 2.051 60.164 58.000 0.189 0.000 1.212 264 F CB -0.711 38.454 39.000 0.275 0.000 0.973 264 F HN 0.177 nan 8.300 nan 0.000 0.480 265 A N 0.699 123.573 122.820 0.090 0.000 1.865 265 A HA -0.231 4.089 4.320 -0.000 0.000 0.217 265 A C 2.349 179.832 177.584 -0.167 0.000 1.191 265 A CA 1.976 53.971 52.037 -0.069 0.000 0.623 265 A CB -0.940 17.998 19.000 -0.104 0.000 0.826 265 A HN 0.492 nan 8.150 nan 0.000 0.444 266 R N -1.238 119.156 120.500 -0.176 0.000 2.132 266 R HA -0.197 4.143 4.340 -0.000 0.000 0.233 266 R C 2.449 178.595 176.300 -0.258 0.000 1.125 266 R CA 1.687 57.671 56.100 -0.193 0.000 0.914 266 R CB -1.070 29.108 30.300 -0.204 0.000 0.845 266 R HN 0.553 nan 8.270 nan 0.000 0.431 267 G N 1.196 109.742 108.800 -0.423 0.000 2.442 267 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.219 267 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.219 267 G C 1.361 176.146 174.900 -0.190 0.000 1.141 267 G CA 0.660 45.430 45.100 -0.551 0.000 0.763 267 G HN 0.238 nan 8.290 nan 0.000 0.554 268 L N 0.323 121.408 121.223 -0.230 0.000 2.141 268 L HA 0.138 4.478 4.340 -0.000 0.000 0.209 268 L C 2.600 179.376 176.870 -0.157 0.000 1.094 268 L CA 1.243 55.946 54.840 -0.227 0.000 0.763 268 L CB -0.382 41.394 42.059 -0.471 0.000 0.908 268 L HN 0.218 nan 8.230 nan 0.000 0.437 269 L N -0.726 120.408 121.223 -0.147 0.000 1.976 269 L HA -0.168 4.172 4.340 -0.000 0.000 0.209 269 L C 2.695 179.512 176.870 -0.089 0.000 1.071 269 L CA 1.266 56.047 54.840 -0.097 0.000 0.746 269 L CB -0.786 41.221 42.059 -0.086 0.000 0.890 269 L HN 0.233 nan 8.230 nan 0.000 0.432 270 E N -0.083 120.053 120.200 -0.106 0.000 2.097 270 E HA -0.208 4.142 4.350 -0.000 0.000 0.196 270 E C 2.292 178.842 176.600 -0.084 0.000 1.000 270 E CA 1.284 57.628 56.400 -0.094 0.000 0.804 270 E CB -0.417 29.215 29.700 -0.114 0.000 0.740 270 E HN 0.308 nan 8.360 nan 0.000 0.454 271 V N 1.504 121.369 119.914 -0.082 0.000 2.307 271 V HA -0.227 3.893 4.120 -0.000 0.000 0.245 271 V C 2.210 178.259 176.094 -0.074 0.000 1.045 271 V CA 1.822 64.074 62.300 -0.081 0.000 1.024 271 V CB -0.413 31.374 31.823 -0.060 0.000 0.651 271 V HN 0.258 nan 8.190 nan 0.000 0.449 272 E N 0.012 120.169 120.200 -0.072 0.000 2.072 272 E HA -0.246 4.104 4.350 -0.000 0.000 0.191 272 E C 2.374 178.955 176.600 -0.032 0.000 0.985 272 E CA 1.232 57.602 56.400 -0.050 0.000 0.801 272 E CB -0.249 29.424 29.700 -0.045 0.000 0.750 272 E HN 0.521 nan 8.360 nan 0.000 0.452 273 R N 1.560 122.036 120.500 -0.041 0.000 2.088 273 R HA -0.180 4.160 4.340 -0.000 0.000 0.232 273 R C 2.423 178.701 176.300 -0.038 0.000 1.136 273 R CA 1.403 57.480 56.100 -0.037 0.000 0.926 273 R CB -0.583 29.691 30.300 -0.043 0.000 0.837 273 R HN 0.120 nan 8.270 nan 0.000 0.429 274 L N 0.485 121.680 121.223 -0.047 0.000 2.051 274 L HA -0.263 4.077 4.340 -0.000 0.000 0.214 274 L C 2.880 179.736 176.870 -0.023 0.000 1.076 274 L CA 1.456 56.269 54.840 -0.045 0.000 0.758 274 L CB -0.460 41.559 42.059 -0.066 0.000 0.890 274 L HN 0.353 nan 8.230 nan 0.000 0.433 275 M N -0.487 119.106 119.600 -0.012 0.000 2.175 275 M HA -0.201 4.279 4.480 -0.000 0.000 0.264 275 M C 2.281 178.600 176.300 0.032 0.000 1.063 275 M CA 1.592 56.917 55.300 0.042 0.000 1.119 275 M CB -0.871 31.745 32.600 0.026 0.000 1.377 275 M HN 0.199 nan 8.290 nan 0.000 0.415 276 K N 0.257 120.655 120.400 -0.003 0.000 2.148 276 K HA -0.172 4.148 4.320 -0.000 0.000 0.204 276 K C 1.868 178.435 176.600 -0.054 0.000 1.050 276 K CA 1.306 57.581 56.287 -0.020 0.000 0.942 276 K CB 0.109 32.598 32.500 -0.019 0.000 0.724 276 K HN 0.285 nan 8.250 nan 0.000 0.446 277 E N -0.366 119.801 120.200 -0.054 0.000 2.072 277 E HA -0.137 4.212 4.350 -0.000 0.000 0.190 277 E C 1.265 177.798 176.600 -0.112 0.000 0.982 277 E CA 1.070 57.429 56.400 -0.069 0.000 0.803 277 E CB 0.120 29.789 29.700 -0.052 0.000 0.755 277 E HN 0.340 nan 8.360 nan 0.000 0.453 278 C N 0.722 119.941 119.300 -0.135 0.000 2.536 278 C HA 0.204 4.664 4.460 -0.000 0.000 0.285 278 C C 1.318 175.913 174.990 -0.658 0.000 1.371 278 C CA 0.483 59.336 59.018 -0.274 0.000 1.675 278 C CB -1.404 26.293 27.740 -0.071 0.000 1.689 278 C HN 0.676 nan 8.230 nan 0.000 0.589 279 G N 0.974 109.537 108.800 -0.395 0.000 2.246 279 G HA2 -0.226 3.733 3.960 -0.000 0.000 0.273 279 G HA3 -0.226 3.733 3.960 -0.000 0.000 0.273 279 G C -0.399 174.267 174.900 -0.389 0.000 1.055 279 G CA -0.036 44.864 45.100 -0.335 0.000 0.851 279 G HN 0.806 nan 8.290 nan 0.000 0.500 280 H N -0.635 118.422 119.070 -0.023 0.000 2.646 280 H HA 0.562 5.117 4.556 -0.000 0.000 0.328 280 H C 0.697 176.021 175.328 -0.007 0.000 0.998 280 H CA -0.155 55.881 56.048 -0.020 0.000 1.225 280 H CB 1.770 31.511 29.762 -0.035 0.000 1.457 280 H HN 0.434 nan 8.280 nan 0.000 0.505 281 G N 3.285 112.155 108.800 0.118 0.000 2.348 281 G HA2 0.458 4.418 3.960 -0.000 0.000 0.312 281 G HA3 0.458 4.418 3.960 -0.000 0.000 0.312 281 G C -0.430 174.528 174.900 0.097 0.000 1.126 281 G CA -0.691 44.459 45.100 0.083 0.000 0.865 281 G HN 0.462 nan 8.290 nan 0.000 0.474 282 L N 1.811 123.106 121.223 0.120 0.000 2.375 282 L HA 0.345 4.684 4.340 -0.000 0.000 0.271 282 L C 0.706 177.680 176.870 0.174 0.000 1.107 282 L CA -0.579 54.358 54.840 0.162 0.000 0.806 282 L CB 1.382 43.572 42.059 0.219 0.000 1.146 282 L HN 0.343 nan 8.230 nan 0.000 0.447 283 M N 2.820 122.509 119.600 0.148 0.000 2.292 283 M HA 0.159 4.639 4.480 -0.000 0.000 0.342 283 M C -0.601 175.760 176.300 0.102 0.000 1.538 283 M CA 0.393 55.736 55.300 0.071 0.000 1.163 283 M CB -0.289 32.308 32.600 -0.005 0.000 1.823 283 M HN 0.410 nan 8.290 nan 0.000 0.462 284 H N 2.368 121.386 119.070 -0.087 0.000 2.851 284 H HA 0.549 5.105 4.556 -0.000 0.000 0.372 284 H C -1.536 173.681 175.328 -0.185 0.000 1.158 284 H CA -0.804 55.121 56.048 -0.205 0.000 1.159 284 H CB 1.604 31.177 29.762 -0.314 0.000 1.757 284 H HN 0.715 nan 8.280 nan 0.000 0.546 285 N N 2.573 120.850 118.700 -0.705 0.000 2.296 285 N HA 0.124 4.864 4.740 -0.000 0.000 0.294 285 N C -0.091 175.120 175.510 -0.499 0.000 1.033 285 N CA -0.489 52.296 53.050 -0.442 0.000 0.839 285 N CB 1.708 39.963 38.487 -0.386 0.000 1.395 285 N HN 0.698 nan 8.380 nan 0.000 0.479 286 D N 1.535 121.815 120.400 -0.199 0.000 2.182 286 D HA -0.094 4.546 4.640 -0.000 0.000 0.201 286 D C 1.611 177.868 176.300 -0.072 0.000 0.986 286 D CA 1.484 55.435 54.000 -0.081 0.000 0.847 286 D CB 0.391 41.190 40.800 -0.002 0.000 0.942 286 D HN 0.470 nan 8.370 nan 0.000 0.467 287 R N -0.864 119.582 120.500 -0.090 0.000 2.057 287 R HA 0.153 4.493 4.340 -0.000 0.000 0.224 287 R C 1.572 177.822 176.300 -0.082 0.000 1.136 287 R CA 0.655 56.747 56.100 -0.013 0.000 0.968 287 R CB 0.040 30.357 30.300 0.028 0.000 0.863 287 R HN 0.220 nan 8.270 nan 0.000 0.433 288 L N 0.258 121.296 121.223 -0.309 0.000 2.700 288 L HA 0.276 4.616 4.340 -0.000 0.000 0.234 288 L C 0.919 177.456 176.870 -0.555 0.000 1.156 288 L CA -0.041 54.490 54.840 -0.515 0.000 0.946 288 L CB 0.432 42.096 42.059 -0.658 0.000 1.216 288 L HN 0.396 nan 8.230 nan 0.000 0.493 289 G N -0.237 108.273 108.800 -0.484 0.000 2.569 289 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.259 289 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.259 289 G C -0.442 174.090 174.900 -0.613 0.000 1.263 289 G CA -0.293 44.532 45.100 -0.460 0.000 0.928 289 G HN 0.087 nan 8.290 nan 0.000 0.572 290 Y N -0.077 120.163 120.300 -0.099 0.000 2.336 290 Y HA 0.592 5.141 4.550 -0.000 0.000 0.331 290 Y C 1.301 177.111 175.900 -0.151 0.000 1.211 290 Y CA 0.090 58.184 58.100 -0.010 0.000 1.346 290 Y CB 0.710 39.221 38.460 0.086 0.000 1.271 290 Y HN 0.466 nan 8.280 nan 0.000 0.538 291 I N 2.626 123.216 120.570 0.034 0.000 2.465 291 I HA 0.414 4.583 4.170 -0.000 0.000 0.291 291 I C -0.712 175.399 176.117 -0.009 0.000 1.014 291 I CA -0.302 60.952 61.300 -0.077 0.000 1.093 291 I CB 1.311 39.179 38.000 -0.220 0.000 1.267 291 I HN 0.624 nan 8.210 nan 0.000 0.431 292 C N 1.994 121.311 119.300 0.028 0.000 3.308 292 C HA 0.326 4.786 4.460 -0.000 0.000 0.360 292 C C 1.960 177.009 174.990 0.099 0.000 1.695 292 C CA -0.248 58.788 59.018 0.030 0.000 1.366 292 C CB 1.709 29.454 27.740 0.008 0.000 2.121 292 C HN 0.842 nan 8.230 nan 0.000 0.442 293 T N -0.106 114.459 114.554 0.017 0.000 2.652 293 T HA -0.168 4.182 4.350 -0.000 0.000 0.267 293 T C 0.589 175.231 174.700 -0.096 0.000 1.039 293 T CA 1.562 63.661 62.100 -0.001 0.000 1.153 293 T CB -0.134 68.714 68.868 -0.034 0.000 0.863 293 T HN 0.777 nan 8.240 nan 0.000 0.428 294 C N 2.418 121.650 119.300 -0.112 0.000 2.329 294 C HA 0.463 4.923 4.460 -0.000 0.000 0.329 294 C C -1.638 173.232 174.990 -0.200 0.000 1.275 294 C CA -2.280 56.618 59.018 -0.200 0.000 1.726 294 C CB 1.144 28.814 27.740 -0.117 0.000 2.291 294 C HN 0.274 nan 8.230 nan 0.000 0.514 295 P HA -0.092 nan 4.420 nan 0.000 0.229 295 P C 1.402 178.726 177.300 0.041 0.000 1.150 295 P CA 1.691 64.709 63.100 -0.136 0.000 0.765 295 P CB -0.050 31.551 31.700 -0.165 0.000 0.783 296 T N -4.983 109.530 114.554 -0.068 0.000 2.942 296 T HA -0.012 4.338 4.350 -0.000 0.000 0.265 296 T C 0.980 175.681 174.700 0.002 0.000 1.062 296 T CA 0.699 62.724 62.100 -0.126 0.000 1.139 296 T CB -0.581 68.123 68.868 -0.273 0.000 0.883 296 T HN -0.006 nan 8.240 nan 0.000 0.468 297 N N 1.811 120.497 118.700 -0.024 0.000 3.105 297 N HA 0.467 5.207 4.740 -0.000 0.000 0.256 297 N C -0.621 174.862 175.510 -0.046 0.000 1.174 297 N CA 0.040 53.073 53.050 -0.028 0.000 1.030 297 N CB 0.463 38.932 38.487 -0.030 0.000 1.305 297 N HN 0.543 nan 8.380 nan 0.000 0.509 298 M N -1.418 118.106 119.600 -0.127 0.000 2.792 298 M HA 0.518 4.998 4.480 -0.000 0.000 0.290 298 M C 1.296 177.389 176.300 -0.344 0.000 1.155 298 M CA -0.759 54.384 55.300 -0.262 0.000 0.781 298 M CB 1.148 33.496 32.600 -0.419 0.000 1.741 298 M HN 0.389 nan 8.290 nan 0.000 0.473 299 G N 0.884 109.387 108.800 -0.496 0.000 2.620 299 G HA2 -0.375 3.585 3.960 -0.000 0.000 0.315 299 G HA3 -0.375 3.585 3.960 -0.000 0.000 0.315 299 G C 0.797 175.572 174.900 -0.208 0.000 1.179 299 G CA 1.455 46.098 45.100 -0.762 0.000 0.971 299 G HN 0.975 nan 8.290 nan 0.000 0.544 300 T N -0.970 113.551 114.554 -0.056 0.000 3.088 300 T HA 0.303 4.652 4.350 -0.000 0.000 0.259 300 T C 1.551 176.315 174.700 0.107 0.000 1.122 300 T CA 1.501 63.715 62.100 0.191 0.000 1.095 300 T CB -0.211 68.794 68.868 0.228 0.000 0.930 300 T HN 2.075 nan 8.240 nan 0.000 0.508 301 V N 0.101 120.023 119.914 0.013 0.000 5.175 301 V HA -0.149 3.971 4.120 -0.000 0.000 0.279 301 V C 0.349 176.451 176.094 0.013 0.000 0.571 301 V CA 0.634 62.933 62.300 -0.001 0.000 0.694 301 V CB -2.652 29.177 31.823 0.010 0.000 0.525 301 V HN 0.539 nan 8.190 nan 0.000 1.093 302 V N 0.791 120.711 119.914 0.010 0.000 2.459 302 V HA 0.620 4.740 4.120 -0.000 0.000 0.295 302 V C 0.378 176.425 176.094 -0.079 0.000 1.029 302 V CA -0.489 61.798 62.300 -0.023 0.000 0.874 302 V CB 2.056 33.876 31.823 -0.005 0.000 0.985 302 V HN 0.593 nan 8.190 nan 0.000 0.438 303 R N 4.144 124.568 120.500 -0.125 0.000 2.422 303 R HA 0.710 5.050 4.340 -0.000 0.000 0.307 303 R C -0.652 175.545 176.300 -0.171 0.000 1.004 303 R CA -0.356 55.670 56.100 -0.123 0.000 0.882 303 R CB 1.286 31.530 30.300 -0.094 0.000 1.164 303 R HN 0.779 nan 8.270 nan 0.000 0.489 304 A N 3.183 125.903 122.820 -0.168 0.000 2.253 304 A HA 0.479 4.799 4.320 -0.000 0.000 0.316 304 A C -0.544 176.988 177.584 -0.087 0.000 1.327 304 A CA -0.515 51.414 52.037 -0.179 0.000 0.917 304 A CB 0.741 19.600 19.000 -0.235 0.000 1.162 304 A HN 0.756 nan 8.150 nan 0.000 0.535 305 S N 1.211 116.873 115.700 -0.063 0.000 2.566 305 S HA 0.818 5.288 4.470 -0.000 0.000 0.298 305 S C -0.301 174.301 174.600 0.003 0.000 1.083 305 S CA -0.371 57.823 58.200 -0.011 0.000 0.978 305 S CB 1.455 64.667 63.200 0.020 0.000 1.073 305 S HN 1.674 nan 8.310 nan 0.000 0.491 306 V N -0.971 118.954 119.914 0.019 0.000 2.823 306 V HA 0.560 4.680 4.120 -0.000 0.000 0.312 306 V C -0.724 175.447 176.094 0.129 0.000 1.072 306 V CA -0.797 61.513 62.300 0.016 0.000 0.937 306 V CB 1.314 33.059 31.823 -0.130 0.000 1.013 306 V HN 1.058 nan 8.190 nan 0.000 0.430 307 H N 3.755 122.797 119.070 -0.046 0.000 2.820 307 H HA 0.467 5.023 4.556 -0.000 0.000 0.278 307 H C -0.746 174.582 175.328 0.000 0.000 1.142 307 H CA -0.320 55.713 56.048 -0.026 0.000 1.346 307 H CB 1.425 31.152 29.762 -0.057 0.000 1.438 307 H HN 0.559 nan 8.280 nan 0.000 0.473 308 L N 4.056 125.324 121.223 0.074 0.000 2.295 308 L HA 0.300 4.640 4.340 -0.000 0.000 0.285 308 L C 0.030 176.964 176.870 0.107 0.000 1.035 308 L CA -0.971 53.913 54.840 0.074 0.000 0.806 308 L CB 0.937 43.023 42.059 0.045 0.000 1.214 308 L HN 0.428 nan 8.230 nan 0.000 0.426 309 R N 5.290 125.849 120.500 0.098 0.000 2.207 309 R HA 0.455 4.795 4.340 -0.000 0.000 0.334 309 R C -1.387 174.972 176.300 0.099 0.000 1.013 309 R CA 0.004 56.142 56.100 0.065 0.000 0.858 309 R CB 0.238 30.520 30.300 -0.031 0.000 1.094 309 R HN 0.645 nan 8.270 nan 0.000 0.457 310 L N 4.778 126.062 121.223 0.102 0.000 2.625 310 L HA 0.382 4.722 4.340 -0.000 0.000 0.255 310 L C 0.664 177.558 176.870 0.039 0.000 1.493 310 L CA -0.374 54.501 54.840 0.059 0.000 0.796 310 L CB 1.369 43.370 42.059 -0.096 0.000 1.064 310 L HN 0.861 nan 8.230 nan 0.000 0.516 311 A N 0.028 122.893 122.820 0.074 0.000 2.067 311 A HA -0.044 4.276 4.320 -0.000 0.000 0.219 311 A C 1.543 179.013 177.584 -0.189 0.000 1.158 311 A CA 1.490 53.493 52.037 -0.057 0.000 0.661 311 A CB -0.141 18.787 19.000 -0.121 0.000 0.801 311 A HN 0.509 nan 8.150 nan 0.000 0.452 312 F N -1.747 118.180 119.950 -0.038 0.000 2.490 312 F HA 0.236 4.763 4.527 -0.000 0.000 0.280 312 F C 1.883 177.643 175.800 -0.066 0.000 1.030 312 F CA 0.413 58.394 58.000 -0.031 0.000 1.367 312 F CB -0.357 38.640 39.000 -0.005 0.000 1.131 312 F HN 0.136 nan 8.300 nan 0.000 0.632 313 L N 0.952 122.204 121.223 0.047 0.000 2.046 313 L HA -0.221 4.118 4.340 -0.000 0.000 0.208 313 L C 2.501 179.154 176.870 -0.361 0.000 1.077 313 L CA 1.876 56.616 54.840 -0.167 0.000 0.747 313 L CB -0.536 41.322 42.059 -0.337 0.000 0.896 313 L HN 0.311 nan 8.230 nan 0.000 0.432 314 E N -0.214 119.691 120.200 -0.491 0.000 2.284 314 E HA -0.318 4.032 4.350 -0.000 0.000 0.200 314 E C 1.589 178.172 176.600 -0.029 0.000 1.008 314 E CA 1.636 57.769 56.400 -0.445 0.000 0.829 314 E CB -0.170 29.447 29.700 -0.138 0.000 0.744 314 E HN 0.337 nan 8.360 nan 0.000 0.491 315 K N 0.219 120.615 120.400 -0.007 0.000 2.444 315 K HA 0.089 4.409 4.320 -0.000 0.000 0.193 315 K C 0.147 176.797 176.600 0.082 0.000 1.024 315 K CA 0.059 56.373 56.287 0.047 0.000 1.077 315 K CB 0.202 32.703 32.500 0.002 0.000 0.833 315 K HN 0.241 nan 8.250 nan 0.000 0.517 316 H N 1.223 120.306 119.070 0.022 0.000 2.610 316 H HA 0.076 4.632 4.556 -0.000 0.000 0.336 316 H C -1.741 173.641 175.328 0.090 0.000 1.087 316 H CA -1.904 54.172 56.048 0.047 0.000 1.405 316 H CB 1.445 31.222 29.762 0.025 0.000 1.460 316 H HN -0.061 nan 8.280 nan 0.000 0.538 317 P HA -0.079 nan 4.420 nan 0.000 0.226 317 P C 0.429 177.854 177.300 0.209 0.000 1.146 317 P CA 1.040 64.189 63.100 0.082 0.000 0.773 317 P CB 0.358 32.027 31.700 -0.050 0.000 0.772 318 R N -2.438 118.340 120.500 0.463 0.000 2.543 318 R HA 0.163 4.503 4.340 -0.000 0.000 0.323 318 R C 1.511 177.914 176.300 0.171 0.000 1.002 318 R CA -0.451 55.797 56.100 0.247 0.000 1.106 318 R CB -0.305 30.122 30.300 0.212 0.000 1.280 318 R HN 0.036 nan 8.270 nan 0.000 0.549 319 F N 2.815 122.787 119.950 0.036 0.000 2.026 319 F HA -0.219 4.307 4.527 -0.000 0.000 0.296 319 F C 1.511 177.247 175.800 -0.107 0.000 1.133 319 F CA 1.708 59.664 58.000 -0.072 0.000 1.188 319 F CB -0.298 38.663 39.000 -0.064 0.000 0.968 319 F HN -0.070 nan 8.300 nan 0.000 0.476 320 D N 0.354 120.489 120.400 -0.442 0.000 2.158 320 D HA -0.245 4.395 4.640 -0.000 0.000 0.197 320 D C 2.233 178.361 176.300 -0.286 0.000 0.995 320 D CA 1.625 55.293 54.000 -0.554 0.000 0.846 320 D CB -0.632 39.940 40.800 -0.382 0.000 0.941 320 D HN 0.634 nan 8.370 nan 0.000 0.456 321 E N 0.164 120.277 120.200 -0.145 0.000 2.204 321 E HA -0.197 4.153 4.350 -0.000 0.000 0.195 321 E C 2.037 178.587 176.600 -0.084 0.000 0.990 321 E CA 0.652 56.996 56.400 -0.093 0.000 0.821 321 E CB -0.114 29.564 29.700 -0.036 0.000 0.750 321 E HN 0.260 nan 8.360 nan 0.000 0.477 322 M N 0.240 119.802 119.600 -0.065 0.000 2.160 322 M HA -0.080 4.399 4.480 -0.000 0.000 0.264 322 M C 2.084 178.347 176.300 -0.063 0.000 1.073 322 M CA 1.071 56.347 55.300 -0.040 0.000 1.142 322 M CB 0.052 32.656 32.600 0.007 0.000 1.358 322 M HN 0.146 nan 8.290 nan 0.000 0.422 323 L N -0.091 121.066 121.223 -0.111 0.000 2.012 323 L HA -0.144 4.196 4.340 -0.000 0.000 0.210 323 L C 2.649 179.436 176.870 -0.138 0.000 1.073 323 L CA 1.499 56.261 54.840 -0.130 0.000 0.748 323 L CB -1.601 40.314 42.059 -0.241 0.000 0.891 323 L HN 0.531 nan 8.230 nan 0.000 0.431 324 G N -0.034 108.657 108.800 -0.183 0.000 2.491 324 G HA2 -0.306 3.653 3.960 -0.000 0.000 0.218 324 G HA3 -0.306 3.653 3.960 -0.000 0.000 0.218 324 G C 1.699 176.517 174.900 -0.136 0.000 1.180 324 G CA 1.011 45.990 45.100 -0.201 0.000 0.774 324 G HN 0.299 nan 8.290 nan 0.000 0.562 325 K N -0.288 120.056 120.400 -0.093 0.000 2.057 325 K HA 0.129 4.449 4.320 -0.000 0.000 0.207 325 K C 2.355 178.932 176.600 -0.038 0.000 1.049 325 K CA 0.606 56.858 56.287 -0.059 0.000 0.931 325 K CB -0.239 32.233 32.500 -0.047 0.000 0.714 325 K HN 0.258 nan 8.250 nan 0.000 0.440 326 L N 0.798 122.001 121.223 -0.033 0.000 2.622 326 L HA 0.015 4.355 4.340 -0.000 0.000 0.233 326 L C -0.117 176.764 176.870 0.017 0.000 1.156 326 L CA 0.089 54.926 54.840 -0.005 0.000 0.866 326 L CB -0.199 41.859 42.059 -0.002 0.000 0.980 326 L HN 0.207 nan 8.230 nan 0.000 0.448 327 R N 0.280 120.778 120.500 -0.003 0.000 3.422 327 R HA -0.148 4.191 4.340 -0.000 0.000 0.267 327 R C -0.713 175.653 176.300 0.111 0.000 1.074 327 R CA 0.656 56.781 56.100 0.042 0.000 0.718 327 R CB -2.639 27.735 30.300 0.124 0.000 1.157 327 R HN 0.339 nan 8.270 nan 0.000 0.440 328 L N -0.195 121.057 121.223 0.048 0.000 2.307 328 L HA 0.567 4.906 4.340 -0.000 0.000 0.284 328 L C 1.278 178.219 176.870 0.118 0.000 1.023 328 L CA -0.598 54.296 54.840 0.089 0.000 0.810 328 L CB 1.999 44.077 42.059 0.032 0.000 1.231 328 L HN 0.188 nan 8.230 nan 0.000 0.423 329 G N 1.965 110.915 108.800 0.250 0.000 2.372 329 G HA2 0.336 4.296 3.960 -0.000 0.000 0.283 329 G HA3 0.336 4.296 3.960 -0.000 0.000 0.283 329 G C -0.836 174.156 174.900 0.152 0.000 1.177 329 G CA -0.389 44.910 45.100 0.332 0.000 0.842 329 G HN 0.546 nan 8.290 nan 0.000 0.503 330 K N 1.727 122.193 120.400 0.109 0.000 2.206 330 K HA 0.565 4.885 4.320 -0.000 0.000 0.264 330 K C -0.003 176.713 176.600 0.194 0.000 0.967 330 K CA -0.605 55.706 56.287 0.039 0.000 0.844 330 K CB 0.971 33.336 32.500 -0.226 0.000 1.099 330 K HN 0.579 nan 8.250 nan 0.000 0.441 331 R N 1.183 121.829 120.500 0.244 0.000 2.831 331 R HA 0.411 4.751 4.340 -0.000 0.000 0.266 331 R C -0.319 176.160 176.300 0.298 0.000 1.051 331 R CA -1.112 55.183 56.100 0.325 0.000 0.943 331 R CB 1.640 32.043 30.300 0.173 0.000 1.228 331 R HN 0.755 nan 8.270 nan 0.000 0.467 332 G N -0.696 108.204 108.800 0.168 0.000 2.535 332 G HA2 0.209 4.169 3.960 -0.000 0.000 0.303 332 G HA3 0.209 4.169 3.960 -0.000 0.000 0.303 332 G C 0.546 175.381 174.900 -0.108 0.000 1.237 332 G CA -0.406 44.696 45.100 0.005 0.000 0.986 332 G HN 0.500 nan 8.290 nan 0.000 0.494 333 T N -0.060 114.388 114.554 -0.176 0.000 2.881 333 T HA -0.051 4.299 4.350 -0.000 0.000 0.270 333 T C 2.118 176.874 174.700 0.093 0.000 1.068 333 T CA 1.410 63.410 62.100 -0.166 0.000 1.131 333 T CB -0.045 68.762 68.868 -0.102 0.000 0.871 333 T HN 0.602 nan 8.240 nan 0.000 0.479 334 G N 0.166 108.988 108.800 0.037 0.000 3.088 334 G HA2 0.507 4.466 3.960 -0.000 0.000 0.217 334 G HA3 0.507 4.466 3.960 -0.000 0.000 0.217 334 G C 0.620 175.556 174.900 0.061 0.000 1.159 334 G CA 0.097 45.250 45.100 0.087 0.000 0.760 334 G HN 0.846 nan 8.290 nan 0.000 0.550 335 G N -0.330 108.492 108.800 0.035 0.000 2.525 335 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.685 335 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.685 335 G C 0.346 175.214 174.900 -0.053 0.000 1.290 335 G CA 0.185 45.308 45.100 0.039 0.000 0.915 335 G HN 0.113 nan 8.290 nan 0.000 0.548 336 E N -0.394 119.803 120.200 -0.005 0.000 2.196 336 E HA -0.300 4.050 4.350 -0.000 0.000 0.222 336 E C 2.159 178.647 176.600 -0.186 0.000 1.072 336 E CA 2.455 58.846 56.400 -0.016 0.000 0.902 336 E CB -0.262 29.458 29.700 0.033 0.000 0.780 336 E HN 1.065 nan 8.360 nan 0.000 0.467 337 S N -0.124 115.391 115.700 -0.308 0.000 3.149 337 S HA 0.261 4.731 4.470 -0.000 0.000 0.228 337 S C -0.302 173.474 174.600 -1.373 0.000 1.393 337 S CA -0.094 57.657 58.200 -0.749 0.000 1.224 337 S CB 0.352 63.446 63.200 -0.176 0.000 1.112 337 S HN 0.257 nan 8.310 nan 0.000 0.502 338 S N 0.629 115.550 115.700 -1.299 0.000 2.596 338 S HA 0.731 5.200 4.470 -0.000 0.000 0.270 338 S C -0.771 173.454 174.600 -0.624 0.000 1.155 338 S CA -1.083 56.569 58.200 -0.912 0.000 0.827 338 S CB 0.773 63.737 63.200 -0.394 0.000 1.130 338 S HN 0.362 nan 8.310 nan 0.000 0.467 339 L N 1.244 122.268 121.223 -0.330 0.000 2.416 339 L HA 0.784 5.123 4.340 -0.000 0.000 0.263 339 L C 0.860 177.657 176.870 -0.120 0.000 1.065 339 L CA -1.164 53.531 54.840 -0.242 0.000 0.798 339 L CB 0.932 42.922 42.059 -0.114 0.000 1.267 339 L HN 0.985 nan 8.230 nan 0.000 0.467 340 A N 0.517 123.303 122.820 -0.057 0.000 2.440 340 A HA 0.458 4.777 4.320 -0.000 0.000 0.251 340 A C 0.094 177.536 177.584 -0.238 0.000 1.089 340 A CA -0.020 51.810 52.037 -0.345 0.000 0.779 340 A CB 0.003 18.331 19.000 -1.121 0.000 1.022 340 A HN 0.693 nan 8.150 nan 0.000 0.492 341 T N -0.698 113.729 114.554 -0.212 0.000 2.841 341 T HA 0.556 4.905 4.350 -0.000 0.000 0.283 341 T C -0.378 174.249 174.700 -0.122 0.000 1.000 341 T CA -0.020 62.003 62.100 -0.128 0.000 0.977 341 T CB 1.288 70.109 68.868 -0.079 0.000 0.979 341 T HN 0.738 nan 8.240 nan 0.000 0.446 342 D N 1.462 121.812 120.400 -0.084 0.000 2.988 342 D HA -0.154 4.486 4.640 -0.000 0.000 0.221 342 D C 0.507 176.774 176.300 -0.055 0.000 1.122 342 D CA 1.295 55.261 54.000 -0.058 0.000 0.821 342 D CB -1.688 39.085 40.800 -0.045 0.000 1.098 342 D HN 0.852 nan 8.370 nan 0.000 0.433 343 S N -1.301 114.366 115.700 -0.055 0.000 3.419 343 S HA -0.249 4.221 4.470 -0.000 0.000 0.350 343 S C 0.278 174.903 174.600 0.042 0.000 1.128 343 S CA 1.479 59.692 58.200 0.022 0.000 0.999 343 S CB -0.885 62.332 63.200 0.029 0.000 0.923 343 S HN 0.501 nan 8.310 nan 0.000 0.522 344 T N 1.232 115.723 114.554 -0.104 0.000 2.779 344 T HA 0.622 4.972 4.350 -0.000 0.000 0.280 344 T C -0.624 173.916 174.700 -0.266 0.000 0.987 344 T CA -0.259 61.790 62.100 -0.085 0.000 0.966 344 T CB 0.832 69.644 68.868 -0.094 0.000 0.933 344 T HN 0.184 nan 8.240 nan 0.000 0.442 345 Y N 1.148 121.379 120.300 -0.115 0.000 2.485 345 Y HA 0.393 4.943 4.550 -0.000 0.000 0.345 345 Y C 0.260 176.035 175.900 -0.207 0.000 0.998 345 Y CA -1.354 56.681 58.100 -0.109 0.000 1.059 345 Y CB 1.348 39.810 38.460 0.004 0.000 1.234 345 Y HN 0.511 nan 8.280 nan 0.000 0.461 346 D N 3.201 123.576 120.400 -0.042 0.000 2.468 346 D HA 0.163 4.803 4.640 -0.000 0.000 0.218 346 D C -0.804 175.556 176.300 0.101 0.000 1.155 346 D CA -0.033 53.968 54.000 0.002 0.000 0.924 346 D CB -0.029 40.787 40.800 0.026 0.000 1.029 346 D HN 0.225 nan 8.370 nan 0.000 0.515 347 I N 2.526 123.149 120.570 0.088 0.000 2.440 347 I HA 0.364 4.534 4.170 -0.000 0.000 0.294 347 I C 0.830 176.974 176.117 0.045 0.000 0.995 347 I CA -0.558 60.779 61.300 0.062 0.000 1.306 347 I CB 0.767 38.785 38.000 0.030 0.000 1.407 347 I HN 0.467 nan 8.210 nan 0.000 0.501 348 S N 4.600 120.331 115.700 0.053 0.000 2.643 348 S HA 0.439 4.909 4.470 -0.000 0.000 0.270 348 S C -0.979 173.662 174.600 0.067 0.000 1.166 348 S CA -1.085 57.139 58.200 0.040 0.000 0.815 348 S CB 1.810 65.026 63.200 0.027 0.000 1.139 348 S HN 0.635 nan 8.310 nan 0.000 0.472 349 N N 1.449 120.177 118.700 0.046 0.000 2.497 349 N HA -0.021 4.718 4.740 -0.000 0.000 0.268 349 N C 0.673 176.254 175.510 0.118 0.000 1.171 349 N CA -0.569 52.530 53.050 0.082 0.000 0.948 349 N CB 0.473 38.984 38.487 0.040 0.000 1.069 349 N HN 0.931 nan 8.380 nan 0.000 0.460 350 W N 2.989 124.290 121.300 0.001 0.000 2.408 350 W HA 0.114 4.774 4.660 -0.000 0.000 0.311 350 W C -0.061 176.451 176.519 -0.012 0.000 1.190 350 W CA 1.066 58.403 57.345 -0.013 0.000 1.321 350 W CB -0.053 29.394 29.460 -0.021 0.000 1.143 350 W HN 0.608 nan 8.180 nan 0.000 0.501 351 A N 1.120 124.039 122.820 0.164 0.000 2.271 351 A HA 0.444 4.764 4.320 -0.000 0.000 0.288 351 A C 0.856 178.511 177.584 0.118 0.000 1.094 351 A CA -0.211 51.902 52.037 0.128 0.000 0.828 351 A CB 0.792 19.974 19.000 0.304 0.000 1.091 351 A HN 0.386 nan 8.150 nan 0.000 0.493 352 R N -0.065 120.568 120.500 0.220 0.000 2.650 352 R HA 0.278 4.618 4.340 -0.000 0.000 0.212 352 R C -0.081 176.212 176.300 -0.012 0.000 0.904 352 R CA -0.411 55.738 56.100 0.082 0.000 1.021 352 R CB 0.151 30.459 30.300 0.014 0.000 1.519 352 R HN 0.557 nan 8.270 nan 0.000 0.639 353 L N 1.591 122.730 121.223 -0.139 0.000 2.326 353 L HA 0.323 4.663 4.340 -0.000 0.000 0.278 353 L C 0.586 177.488 176.870 0.054 0.000 1.092 353 L CA 0.893 55.473 54.840 -0.432 0.000 0.810 353 L CB 1.308 42.710 42.059 -1.095 0.000 1.153 353 L HN 0.627 nan 8.230 nan 0.000 0.439 354 G N 3.522 112.517 108.800 0.324 0.000 2.213 354 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.236 354 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.236 354 G C 0.087 175.217 174.900 0.383 0.000 0.991 354 G CA -0.168 45.267 45.100 0.559 0.000 0.629 354 G HN 0.545 nan 8.290 nan 0.000 0.517 355 K N 0.867 121.476 120.400 0.349 0.000 2.464 355 K HA 0.594 4.914 4.320 -0.000 0.000 0.253 355 K C 0.617 177.354 176.600 0.228 0.000 0.933 355 K CA -0.073 56.349 56.287 0.225 0.000 0.801 355 K CB 2.197 34.810 32.500 0.188 0.000 1.271 355 K HN 0.442 nan 8.250 nan 0.000 0.430 356 S N 1.026 116.801 115.700 0.124 0.000 2.611 356 S HA -0.034 4.436 4.470 -0.000 0.000 0.252 356 S C 0.944 175.649 174.600 0.174 0.000 1.369 356 S CA 0.161 58.438 58.200 0.128 0.000 0.975 356 S CB 0.498 63.756 63.200 0.096 0.000 0.937 356 S HN 0.613 nan 8.310 nan 0.000 0.584 357 E N 0.429 120.754 120.200 0.209 0.000 2.028 357 E HA -0.021 4.329 4.350 -0.000 0.000 0.190 357 E C 2.300 178.982 176.600 0.137 0.000 0.984 357 E CA 1.123 57.642 56.400 0.199 0.000 0.800 357 E CB -0.282 29.629 29.700 0.352 0.000 0.758 357 E HN 0.657 nan 8.360 nan 0.000 0.448 358 R N 0.965 121.636 120.500 0.285 0.000 2.096 358 R HA -0.233 4.107 4.340 -0.000 0.000 0.240 358 R C 1.958 178.337 176.300 0.131 0.000 1.139 358 R CA 1.896 58.167 56.100 0.285 0.000 0.952 358 R CB -0.121 30.350 30.300 0.284 0.000 0.854 358 R HN 0.241 nan 8.270 nan 0.000 0.436 359 E N 0.064 120.333 120.200 0.115 0.000 2.118 359 E HA -0.200 4.150 4.350 -0.000 0.000 0.195 359 E C 2.028 178.669 176.600 0.068 0.000 0.992 359 E CA 1.274 57.728 56.400 0.089 0.000 0.804 359 E CB -0.034 29.724 29.700 0.096 0.000 0.741 359 E HN 0.409 nan 8.360 nan 0.000 0.458 360 L N 0.173 121.426 121.223 0.049 0.000 2.209 360 L HA -0.084 4.256 4.340 -0.000 0.000 0.207 360 L C 2.287 179.145 176.870 -0.021 0.000 1.094 360 L CA 0.339 55.197 54.840 0.030 0.000 0.790 360 L CB -0.027 42.050 42.059 0.030 0.000 0.932 360 L HN 0.031 nan 8.230 nan 0.000 0.447 361 V N -0.672 119.184 119.914 -0.097 0.000 2.667 361 V HA -0.230 3.889 4.120 -0.000 0.000 0.252 361 V C 2.325 178.411 176.094 -0.013 0.000 1.065 361 V CA 1.267 63.484 62.300 -0.138 0.000 1.083 361 V CB -0.353 31.236 31.823 -0.390 0.000 0.692 361 V HN 0.380 nan 8.190 nan 0.000 0.468 362 Q N 0.042 119.856 119.800 0.023 0.000 2.123 362 Q HA -0.083 4.257 4.340 -0.000 0.000 0.199 362 Q C 2.152 178.189 176.000 0.062 0.000 0.966 362 Q CA 1.526 57.362 55.803 0.055 0.000 0.845 362 Q CB -0.369 28.407 28.738 0.063 0.000 0.907 362 Q HN 0.434 nan 8.270 nan 0.000 0.439 363 V N 0.615 120.564 119.914 0.058 0.000 2.343 363 V HA -0.223 3.896 4.120 -0.000 0.000 0.247 363 V C 2.211 178.346 176.094 0.068 0.000 1.051 363 V CA 1.608 63.947 62.300 0.065 0.000 1.036 363 V CB -0.607 31.262 31.823 0.075 0.000 0.654 363 V HN 0.476 nan 8.190 nan 0.000 0.451 364 L N -0.015 121.243 121.223 0.060 0.000 1.970 364 L HA -0.159 4.181 4.340 -0.000 0.000 0.212 364 L C 2.506 179.448 176.870 0.119 0.000 1.071 364 L CA 2.298 57.175 54.840 0.063 0.000 0.751 364 L CB -0.620 41.458 42.059 0.032 0.000 0.889 364 L HN 0.207 nan 8.230 nan 0.000 0.432 365 V N 0.808 120.837 119.914 0.192 0.000 2.282 365 V HA -0.329 3.791 4.120 -0.000 0.000 0.249 365 V C 2.380 178.627 176.094 0.256 0.000 1.057 365 V CA 2.206 64.724 62.300 0.363 0.000 1.032 365 V CB -0.782 31.170 31.823 0.215 0.000 0.645 365 V HN 0.468 nan 8.190 nan 0.000 0.447 366 D N 0.487 120.970 120.400 0.137 0.000 2.123 366 D HA -0.123 4.517 4.640 -0.000 0.000 0.196 366 D C 2.165 178.513 176.300 0.080 0.000 0.992 366 D CA 1.664 55.720 54.000 0.093 0.000 0.833 366 D CB -0.664 40.173 40.800 0.062 0.000 0.954 366 D HN 0.484 nan 8.370 nan 0.000 0.455 367 G N 0.494 109.336 108.800 0.070 0.000 2.414 367 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.215 367 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.215 367 G C 1.857 176.772 174.900 0.025 0.000 1.188 367 G CA 0.708 45.832 45.100 0.040 0.000 0.783 367 G HN 0.239 nan 8.290 nan 0.000 0.537 368 V N 1.580 121.504 119.914 0.017 0.000 2.392 368 V HA -0.226 3.894 4.120 -0.000 0.000 0.249 368 V C 2.708 178.802 176.094 0.001 0.000 1.059 368 V CA 1.955 64.204 62.300 -0.084 0.000 1.051 368 V CB -0.600 31.001 31.823 -0.369 0.000 0.658 368 V HN 0.285 nan 8.190 nan 0.000 0.455 369 N N 0.111 118.908 118.700 0.161 0.000 2.018 369 N HA -0.182 4.558 4.740 -0.000 0.000 0.196 369 N C 1.615 177.137 175.510 0.020 0.000 1.043 369 N CA 1.526 54.656 53.050 0.133 0.000 0.856 369 N CB -0.705 37.857 38.487 0.125 0.000 1.042 369 N HN 0.344 nan 8.380 nan 0.000 0.423 370 L N 1.175 122.405 121.223 0.012 0.000 1.990 370 L HA -0.096 4.243 4.340 -0.000 0.000 0.213 370 L C 2.034 178.876 176.870 -0.047 0.000 1.072 370 L CA 1.385 56.214 54.840 -0.019 0.000 0.755 370 L CB -0.762 41.291 42.059 -0.010 0.000 0.889 370 L HN 0.210 nan 8.230 nan 0.000 0.432 371 L N -1.182 120.014 121.223 -0.045 0.000 2.013 371 L HA -0.310 4.030 4.340 -0.000 0.000 0.212 371 L C 2.540 179.352 176.870 -0.096 0.000 1.073 371 L CA 1.824 56.625 54.840 -0.066 0.000 0.753 371 L CB -0.688 41.340 42.059 -0.051 0.000 0.890 371 L HN 0.298 nan 8.230 nan 0.000 0.432 372 I N -0.140 120.353 120.570 -0.127 0.000 2.163 372 I HA -0.325 3.844 4.170 -0.000 0.000 0.243 372 I C 2.876 178.849 176.117 -0.241 0.000 1.085 372 I CA 1.258 62.402 61.300 -0.260 0.000 1.347 372 I CB -0.532 37.250 38.000 -0.362 0.000 1.044 372 I HN 0.249 nan 8.210 nan 0.000 0.408 373 A N 0.291 123.015 122.820 -0.160 0.000 1.859 373 A HA -0.291 4.029 4.320 -0.000 0.000 0.217 373 A C 2.501 180.024 177.584 -0.102 0.000 1.198 373 A CA 2.188 54.153 52.037 -0.121 0.000 0.629 373 A CB -1.427 17.525 19.000 -0.080 0.000 0.830 373 A HN 0.563 nan 8.150 nan 0.000 0.446 374 C N -0.861 118.384 119.300 -0.091 0.000 2.385 374 C HA -0.176 4.283 4.460 -0.000 0.000 0.275 374 C C 2.478 177.423 174.990 -0.075 0.000 1.207 374 C CA 1.551 60.517 59.018 -0.087 0.000 1.760 374 C CB -1.519 26.155 27.740 -0.109 0.000 2.051 374 C HN 0.778 nan 8.230 nan 0.000 0.467 375 D N 0.151 120.513 120.400 -0.063 0.000 2.104 375 D HA -0.135 4.505 4.640 -0.000 0.000 0.194 375 D C 2.256 178.511 176.300 -0.076 0.000 0.994 375 D CA 1.319 55.319 54.000 -0.001 0.000 0.830 375 D CB -0.116 40.758 40.800 0.124 0.000 0.959 375 D HN 0.447 nan 8.370 nan 0.000 0.452 376 K N -0.030 120.319 120.400 -0.085 0.000 2.057 376 K HA -0.139 4.181 4.320 -0.000 0.000 0.207 376 K C 2.129 178.640 176.600 -0.148 0.000 1.049 376 K CA 0.852 57.071 56.287 -0.114 0.000 0.931 376 K CB 0.021 32.465 32.500 -0.093 0.000 0.714 376 K HN 0.086 nan 8.250 nan 0.000 0.440 377 K N 1.175 121.511 120.400 -0.107 0.000 1.991 377 K HA -0.126 4.193 4.320 -0.000 0.000 0.212 377 K C 2.235 178.778 176.600 -0.094 0.000 1.049 377 K CA 1.271 57.508 56.287 -0.083 0.000 0.932 377 K CB -0.670 31.799 32.500 -0.051 0.000 0.717 377 K HN 0.173 nan 8.250 nan 0.000 0.441 378 L N 1.032 122.209 121.223 -0.078 0.000 2.079 378 L HA -0.191 4.149 4.340 -0.000 0.000 0.210 378 L C 2.635 179.387 176.870 -0.197 0.000 1.081 378 L CA 1.305 56.131 54.840 -0.024 0.000 0.752 378 L CB -0.411 41.718 42.059 0.117 0.000 0.896 378 L HN 0.360 nan 8.230 nan 0.000 0.433 379 E N 0.533 120.372 120.200 -0.602 0.000 2.150 379 E HA -0.183 4.166 4.350 -0.000 0.000 0.193 379 E C 1.820 178.172 176.600 -0.412 0.000 0.985 379 E CA 0.924 56.663 56.400 -1.102 0.000 0.814 379 E CB 0.058 28.981 29.700 -1.294 0.000 0.752 379 E HN 0.454 nan 8.360 nan 0.000 0.466 380 A N 0.293 122.970 122.820 -0.238 0.000 2.265 380 A HA 0.234 4.553 4.320 -0.000 0.000 0.213 380 A C 1.308 178.855 177.584 -0.062 0.000 1.255 380 A CA 0.736 52.703 52.037 -0.117 0.000 0.862 380 A CB -0.781 18.167 19.000 -0.086 0.000 0.852 380 A HN 0.380 nan 8.150 nan 0.000 0.484 381 G N -1.032 107.737 108.800 -0.051 0.000 2.273 381 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.280 381 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.280 381 G C -0.023 174.879 174.900 0.003 0.000 1.047 381 G CA 0.764 45.866 45.100 0.003 0.000 0.869 381 G HN 0.824 nan 8.290 nan 0.000 0.502 382 Q N -0.563 119.233 119.800 -0.007 0.000 2.416 382 Q HA 0.727 5.067 4.340 -0.000 0.000 0.279 382 Q C 0.381 176.394 176.000 0.021 0.000 1.101 382 Q CA -0.220 55.583 55.803 0.000 0.000 0.830 382 Q CB 1.535 30.263 28.738 -0.017 0.000 1.402 382 Q HN 0.621 nan 8.270 nan 0.000 0.445 383 S N 0.921 116.637 115.700 0.026 0.000 2.608 383 S HA 0.556 5.026 4.470 -0.000 0.000 0.291 383 S C 0.330 174.952 174.600 0.038 0.000 1.146 383 S CA -0.766 57.465 58.200 0.052 0.000 1.043 383 S CB 0.794 64.024 63.200 0.049 0.000 1.037 383 S HN 0.693 nan 8.310 nan 0.000 0.520 384 I N -2.110 118.494 120.570 0.058 0.000 3.426 384 I HA 0.428 4.597 4.170 -0.000 0.000 0.329 384 I C 0.516 176.629 176.117 -0.005 0.000 1.553 384 I CA -0.356 60.944 61.300 0.000 0.000 1.019 384 I CB 0.203 38.168 38.000 -0.059 0.000 1.376 384 I HN 0.650 nan 8.210 nan 0.000 0.525 385 D N 2.533 122.953 120.400 0.033 0.000 2.117 385 D HA -0.253 4.387 4.640 -0.000 0.000 0.198 385 D C 1.733 178.036 176.300 0.005 0.000 0.982 385 D CA 2.200 56.218 54.000 0.030 0.000 0.828 385 D CB 0.211 41.038 40.800 0.044 0.000 0.967 385 D HN 0.601 nan 8.370 nan 0.000 0.464 386 D N -0.133 120.268 120.400 0.002 0.000 2.348 386 D HA -0.147 4.493 4.640 -0.000 0.000 0.216 386 D C 1.787 178.079 176.300 -0.014 0.000 0.970 386 D CA 0.442 54.439 54.000 -0.005 0.000 0.889 386 D CB -0.256 40.542 40.800 -0.004 0.000 0.912 386 D HN 0.384 nan 8.370 nan 0.000 0.524 387 M N 0.421 120.007 119.600 -0.023 0.000 2.388 387 M HA 0.149 4.629 4.480 -0.000 0.000 0.265 387 M C 1.240 177.516 176.300 -0.039 0.000 1.088 387 M CA 0.209 55.488 55.300 -0.034 0.000 1.134 387 M CB 0.100 32.670 32.600 -0.049 0.000 1.384 387 M HN -0.100 nan 8.290 nan 0.000 0.447 388 I N 2.847 123.392 120.570 -0.042 0.000 2.598 388 I HA 0.045 4.214 4.170 -0.000 0.000 0.284 388 I C -1.867 174.235 176.117 -0.025 0.000 1.140 388 I CA -1.637 59.639 61.300 -0.041 0.000 1.420 388 I CB 0.028 38.005 38.000 -0.038 0.000 1.387 388 I HN -0.125 nan 8.210 nan 0.000 0.553 389 P HA 0.004 nan 4.420 nan 0.000 0.266 389 P C -0.581 176.709 177.300 -0.017 0.000 1.186 389 P CA 0.037 63.125 63.100 -0.019 0.000 0.767 389 P CB 0.562 32.249 31.700 -0.021 0.000 0.820 390 K N 0.000 120.391 120.400 -0.015 0.000 2.780 390 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 390 K CA 0.000 56.279 56.287 -0.013 0.000 0.838 390 K CB 0.000 32.494 32.500 -0.010 0.000 1.064 390 K HN 0.000 nan 8.250 nan 0.000 0.543