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 1p0v_1_B DATA FIRST_RESID 3 DATA SEQUENCE KEMPQPKTFG ELKNLPLLNT DKPVQALMKI ADELGEIFKF EAPGRVTRYL DATA SEQUENCE SSQRLIKEAC DESRFDKNLS QALKFVRDFA GDGLFTSWTH EKNWKKAHNI DATA SEQUENCE LLPSFSQQAM KGYHAMMVDI AVQLVQKWER LNADEHIEVP EDMTRLTLDT DATA SEQUENCE IGLCGFNYRF NSFYRDQPHP FITSMVRALD EAMNKLXXXX XXXXXYDENK DATA SEQUENCE RQFQEDIKVM NDLVDKIIAD RKASGEQSDD LLTHMLNGKD PETGEPLDDE DATA SEQUENCE NIRYQIITFL IAGHETTSGL LSFALYFLVK NPHVLQKAAE EAARVLVDPV DATA SEQUENCE PSYKQVKQLK YVGMVLNEAL RLWPTAPAFS LYAKEDTVLG GEYPLEKGDE DATA SEQUENCE LMVLIPQLHR DKTIWGDDVE EFRPERFENP SAIPQHAFKP AGNGQRACIG DATA SEQUENCE QQFALHEATL VLGMMLKHFD FEDHTNYELD IKETLTLKPE GFVVKAKSKK DATA SEQUENCE IPL 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 3 K HA 0.000 nan 4.320 nan 0.000 0.191 3 K C 0.000 176.625 176.600 0.041 0.000 0.988 3 K CA 0.000 56.205 56.287 -0.137 0.000 0.838 3 K CB 0.000 32.457 32.500 -0.071 0.000 1.064 4 E N 2.588 122.844 120.200 0.092 0.000 2.384 4 E HA 0.289 4.639 4.350 -0.000 0.000 0.266 4 E C -0.111 176.644 176.600 0.258 0.000 1.012 4 E CA 0.133 56.617 56.400 0.141 0.000 0.901 4 E CB 0.064 29.815 29.700 0.086 0.000 0.967 4 E HN 0.284 nan 8.360 nan 0.000 0.435 5 M N 3.420 123.163 119.600 0.238 0.000 2.200 5 M HA 0.303 4.783 4.480 -0.000 0.000 0.355 5 M C -2.225 174.132 176.300 0.095 0.000 1.283 5 M CA -1.477 53.908 55.300 0.141 0.000 1.124 5 M CB 0.998 33.589 32.600 -0.015 0.000 1.625 5 M HN 0.306 nan 8.290 nan 0.000 0.463 6 P HA 0.033 nan 4.420 nan 0.000 0.268 6 P C -1.801 175.574 177.300 0.125 0.000 1.208 6 P CA 0.023 63.184 63.100 0.101 0.000 0.777 6 P CB 0.450 32.219 31.700 0.115 0.000 0.875 7 Q N 2.023 121.878 119.800 0.092 0.000 2.352 7 Q HA 0.401 4.741 4.340 -0.000 0.000 0.270 7 Q C -2.869 173.134 176.000 0.005 0.000 1.006 7 Q CA -1.854 54.005 55.803 0.093 0.000 0.880 7 Q CB 1.612 30.380 28.738 0.050 0.000 1.392 7 Q HN 0.174 nan 8.270 nan 0.000 0.401 8 P HA 0.127 nan 4.420 nan 0.000 0.273 8 P C -1.272 175.961 177.300 -0.113 0.000 1.250 8 P CA -0.553 62.502 63.100 -0.076 0.000 0.793 8 P CB 0.467 32.133 31.700 -0.056 0.000 1.011 9 K N 0.966 121.281 120.400 -0.142 0.000 2.511 9 K HA 0.124 4.444 4.320 -0.000 0.000 0.280 9 K C -0.328 175.987 176.600 -0.475 0.000 1.008 9 K CA 0.444 56.536 56.287 -0.325 0.000 1.050 9 K CB -0.755 31.504 32.500 -0.402 0.000 0.889 9 K HN 0.600 nan 8.250 nan 0.000 0.484 10 T N 1.485 115.747 114.554 -0.487 0.000 2.867 10 T HA 0.519 4.869 4.350 -0.000 0.000 0.282 10 T C -0.243 174.117 174.700 -0.566 0.000 1.000 10 T CA -0.692 61.181 62.100 -0.378 0.000 1.042 10 T CB 0.385 69.136 68.868 -0.195 0.000 0.973 10 T HN 0.306 nan 8.240 nan 0.000 0.465 11 F N 2.358 122.277 119.950 -0.052 0.000 2.366 11 F HA 0.562 5.089 4.527 -0.000 0.000 0.357 11 F C 1.559 177.343 175.800 -0.028 0.000 1.107 11 F CA -0.250 57.730 58.000 -0.033 0.000 1.208 11 F CB 0.332 39.316 39.000 -0.028 0.000 1.464 11 F HN 1.217 nan 8.300 nan 0.000 0.501 12 G N 2.328 111.159 108.800 0.052 0.000 2.652 12 G HA2 -0.397 3.563 3.960 -0.000 0.000 0.318 12 G HA3 -0.397 3.563 3.960 -0.000 0.000 0.318 12 G C 1.409 176.329 174.900 0.034 0.000 1.295 12 G CA 0.696 45.818 45.100 0.035 0.000 0.999 12 G HN 0.590 nan 8.290 nan 0.000 0.548 13 E N 1.250 121.471 120.200 0.036 0.000 2.409 13 E HA -0.018 4.332 4.350 -0.000 0.000 0.198 13 E C 2.527 179.150 176.600 0.039 0.000 1.024 13 E CA 1.524 57.942 56.400 0.029 0.000 0.861 13 E CB -0.243 29.473 29.700 0.025 0.000 0.788 13 E HN 0.682 nan 8.360 nan 0.000 0.521 14 L N -0.077 121.184 121.223 0.063 0.000 2.492 14 L HA 0.010 4.350 4.340 -0.000 0.000 0.223 14 L C 0.895 177.804 176.870 0.065 0.000 1.132 14 L CA 0.029 54.910 54.840 0.067 0.000 0.850 14 L CB -0.295 41.809 42.059 0.075 0.000 0.966 14 L HN -0.100 nan 8.230 nan 0.000 0.454 15 K N -0.079 120.353 120.400 0.054 0.000 1.844 15 K HA -0.275 4.045 4.320 -0.000 0.000 0.160 15 K C 0.644 177.240 176.600 -0.006 0.000 1.448 15 K CA 1.806 58.085 56.287 -0.013 0.000 0.446 15 K CB -1.325 31.144 32.500 -0.051 0.000 0.635 15 K HN 0.139 nan 8.250 nan 0.000 0.848 16 N N 1.397 119.976 118.700 -0.201 0.000 2.336 16 N HA -0.000 4.740 4.740 -0.000 0.000 0.189 16 N C 1.561 177.007 175.510 -0.106 0.000 1.113 16 N CA 0.255 53.122 53.050 -0.305 0.000 0.858 16 N CB 0.004 37.831 38.487 -1.101 0.000 0.970 16 N HN 0.271 nan 8.380 nan 0.000 0.471 17 L N 2.313 123.548 121.223 0.020 0.000 2.081 17 L HA -0.070 4.270 4.340 -0.000 0.000 0.212 17 L C -0.949 175.996 176.870 0.125 0.000 1.080 17 L CA 1.998 56.933 54.840 0.159 0.000 0.754 17 L CB -1.129 41.002 42.059 0.120 0.000 0.893 17 L HN 0.007 nan 8.230 nan 0.000 0.433 18 P HA -0.110 nan 4.420 nan 0.000 0.228 18 P C 1.573 178.837 177.300 -0.060 0.000 1.151 18 P CA 1.160 64.202 63.100 -0.097 0.000 0.770 18 P CB 0.006 31.486 31.700 -0.367 0.000 0.786 19 L N -2.033 119.236 121.223 0.076 0.000 2.509 19 L HA 0.071 4.411 4.340 -0.000 0.000 0.222 19 L C 1.157 178.107 176.870 0.134 0.000 1.123 19 L CA 0.362 55.275 54.840 0.121 0.000 0.856 19 L CB -0.121 42.073 42.059 0.225 0.000 0.985 19 L HN -0.036 nan 8.230 nan 0.000 0.456 20 L N 2.053 123.374 121.223 0.164 0.000 2.825 20 L HA 0.189 4.529 4.340 -0.000 0.000 0.236 20 L C -0.161 176.738 176.870 0.049 0.000 1.301 20 L CA -0.317 54.576 54.840 0.089 0.000 0.977 20 L CB 0.067 42.178 42.059 0.086 0.000 1.300 20 L HN 0.285 nan 8.230 nan 0.000 0.486 21 N N -0.393 118.319 118.700 0.021 0.000 3.324 21 N HA 0.116 4.855 4.740 -0.000 0.000 0.302 21 N C -0.256 175.252 175.510 -0.003 0.000 1.360 21 N CA -0.160 52.892 53.050 0.004 0.000 1.190 21 N CB 0.857 39.334 38.487 -0.017 0.000 1.462 21 N HN 0.169 nan 8.380 nan 0.000 0.532 22 T N -1.603 112.950 114.554 -0.001 0.000 2.821 22 T HA 0.243 4.593 4.350 -0.000 0.000 0.306 22 T C -1.064 173.632 174.700 -0.007 0.000 1.313 22 T CA -0.589 61.505 62.100 -0.009 0.000 1.012 22 T CB 1.207 70.066 68.868 -0.015 0.000 1.298 22 T HN 0.048 nan 8.240 nan 0.000 0.502 23 D N 1.593 121.987 120.400 -0.011 0.000 2.340 23 D HA 0.222 4.862 4.640 -0.000 0.000 0.217 23 D C 0.024 176.317 176.300 -0.013 0.000 1.081 23 D CA 0.281 54.276 54.000 -0.008 0.000 0.842 23 D CB 0.473 41.268 40.800 -0.008 0.000 0.934 23 D HN 0.409 nan 8.370 nan 0.000 0.511 24 K N 1.319 121.707 120.400 -0.019 0.000 2.877 24 K HA 0.173 4.493 4.320 -0.000 0.000 0.176 24 K C -1.921 174.664 176.600 -0.026 0.000 1.075 24 K CA -1.204 55.069 56.287 -0.023 0.000 0.939 24 K CB 2.121 34.599 32.500 -0.035 0.000 1.237 24 K HN -0.095 nan 8.250 nan 0.000 0.607 25 P HA -0.116 nan 4.420 nan 0.000 0.219 25 P C 1.388 178.639 177.300 -0.082 0.000 1.150 25 P CA 0.737 63.796 63.100 -0.069 0.000 0.814 25 P CB 0.323 31.978 31.700 -0.074 0.000 0.787 26 V N 0.786 120.681 119.914 -0.030 0.000 2.295 26 V HA -0.247 3.873 4.120 -0.000 0.000 0.246 26 V C 2.846 178.953 176.094 0.023 0.000 1.049 26 V CA 1.983 64.279 62.300 -0.006 0.000 1.024 26 V CB -1.439 30.420 31.823 0.060 0.000 0.648 26 V HN 0.116 nan 8.190 nan 0.000 0.447 27 Q N -0.275 119.554 119.800 0.049 0.000 2.124 27 Q HA -0.147 4.193 4.340 -0.000 0.000 0.202 27 Q C 2.354 178.370 176.000 0.026 0.000 0.977 27 Q CA 1.748 57.599 55.803 0.079 0.000 0.850 27 Q CB -0.403 28.368 28.738 0.055 0.000 0.901 27 Q HN 0.689 nan 8.270 nan 0.000 0.429 28 A N 0.538 123.347 122.820 -0.019 0.000 1.897 28 A HA -0.110 4.210 4.320 -0.000 0.000 0.215 28 A C 2.015 179.557 177.584 -0.070 0.000 1.181 28 A CA 0.888 52.902 52.037 -0.040 0.000 0.620 28 A CB -0.517 18.453 19.000 -0.050 0.000 0.821 28 A HN 0.283 nan 8.150 nan 0.000 0.443 29 L N -1.196 119.959 121.223 -0.112 0.000 2.083 29 L HA -0.179 4.160 4.340 -0.000 0.000 0.209 29 L C 2.766 179.619 176.870 -0.029 0.000 1.083 29 L CA 1.346 56.100 54.840 -0.143 0.000 0.752 29 L CB -0.430 41.431 42.059 -0.331 0.000 0.899 29 L HN 0.399 nan 8.230 nan 0.000 0.433 30 M N -0.668 118.930 119.600 -0.003 0.000 2.213 30 M HA -0.214 4.266 4.480 -0.000 0.000 0.263 30 M C 2.140 178.449 176.300 0.014 0.000 1.062 30 M CA 1.741 57.059 55.300 0.031 0.000 1.105 30 M CB -0.203 32.429 32.600 0.053 0.000 1.385 30 M HN 0.079 nan 8.290 nan 0.000 0.417 31 K N 0.288 120.683 120.400 -0.008 0.000 2.155 31 K HA -0.006 4.314 4.320 -0.000 0.000 0.203 31 K C 1.726 178.283 176.600 -0.072 0.000 1.052 31 K CA 1.034 57.307 56.287 -0.022 0.000 0.948 31 K CB -0.114 32.377 32.500 -0.016 0.000 0.728 31 K HN 0.318 nan 8.250 nan 0.000 0.448 32 I N 1.049 121.535 120.570 -0.141 0.000 2.252 32 I HA -0.243 3.926 4.170 -0.000 0.000 0.245 32 I C 2.498 178.418 176.117 -0.327 0.000 1.102 32 I CA 0.953 62.060 61.300 -0.322 0.000 1.385 32 I CB -0.382 37.287 38.000 -0.550 0.000 1.064 32 I HN 0.124 nan 8.210 nan 0.000 0.414 33 A N 0.663 123.430 122.820 -0.088 0.000 1.908 33 A HA -0.252 4.068 4.320 -0.000 0.000 0.218 33 A C 1.951 179.560 177.584 0.041 0.000 1.181 33 A CA 2.094 54.209 52.037 0.129 0.000 0.627 33 A CB -0.622 18.520 19.000 0.237 0.000 0.818 33 A HN 0.354 nan 8.150 nan 0.000 0.445 34 D N -0.729 119.677 120.400 0.011 0.000 2.182 34 D HA -0.171 4.469 4.640 -0.000 0.000 0.201 34 D C 1.894 178.190 176.300 -0.006 0.000 0.986 34 D CA 1.559 55.565 54.000 0.010 0.000 0.847 34 D CB -0.228 40.577 40.800 0.007 0.000 0.942 34 D HN 0.825 nan 8.370 nan 0.000 0.467 35 E N 0.217 120.392 120.200 -0.040 0.000 2.060 35 E HA -0.053 4.297 4.350 -0.000 0.000 0.189 35 E C 1.905 178.484 176.600 -0.035 0.000 0.974 35 E CA 0.389 56.763 56.400 -0.043 0.000 0.808 35 E CB 0.082 29.740 29.700 -0.070 0.000 0.768 35 E HN 0.204 nan 8.360 nan 0.000 0.453 36 L N -0.049 121.137 121.223 -0.061 0.000 2.585 36 L HA 0.345 4.685 4.340 -0.000 0.000 0.226 36 L C 1.072 177.984 176.870 0.071 0.000 1.113 36 L CA 0.211 55.043 54.840 -0.013 0.000 0.876 36 L CB 0.421 42.432 42.059 -0.080 0.000 1.072 36 L HN 0.383 nan 8.230 nan 0.000 0.468 37 G N 1.465 110.319 108.800 0.089 0.000 2.526 37 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.250 37 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.250 37 G C 0.456 175.444 174.900 0.148 0.000 1.289 37 G CA 0.012 45.177 45.100 0.108 0.000 0.947 37 G HN 0.384 nan 8.290 nan 0.000 0.517 38 E N -0.758 119.504 120.200 0.104 0.000 2.333 38 E HA 0.134 4.484 4.350 -0.000 0.000 0.198 38 E C 1.182 177.794 176.600 0.020 0.000 1.007 38 E CA 1.335 57.776 56.400 0.069 0.000 0.845 38 E CB 0.667 30.402 29.700 0.058 0.000 0.766 38 E HN 0.952 nan 8.360 nan 0.000 0.507 39 I N 0.083 120.667 120.570 0.023 0.000 2.722 39 I HA 0.401 4.571 4.170 -0.000 0.000 0.292 39 I C -1.875 174.264 176.117 0.038 0.000 1.267 39 I CA -1.308 59.929 61.300 -0.104 0.000 1.036 39 I CB 1.589 39.410 38.000 -0.298 0.000 1.281 39 I HN 0.058 nan 8.210 nan 0.000 0.423 40 F N 5.384 125.315 119.950 -0.032 0.000 2.608 40 F HA 0.555 5.082 4.527 -0.000 0.000 0.309 40 F C -1.272 174.574 175.800 0.077 0.000 1.103 40 F CA -0.975 57.034 58.000 0.016 0.000 0.954 40 F CB 1.025 40.065 39.000 0.066 0.000 1.267 40 F HN 0.394 nan 8.300 nan 0.000 0.444 41 K N 2.731 123.247 120.400 0.194 0.000 2.218 41 K HA 0.490 4.810 4.320 -0.000 0.000 0.276 41 K C -2.096 174.740 176.600 0.393 0.000 1.022 41 K CA -0.328 56.054 56.287 0.159 0.000 0.946 41 K CB 0.927 33.474 32.500 0.077 0.000 1.000 41 K HN 0.816 nan 8.250 nan 0.000 0.468 42 F N 3.188 123.270 119.950 0.221 0.000 2.579 42 F HA 0.288 4.815 4.527 -0.000 0.000 0.325 42 F C -1.085 174.817 175.800 0.171 0.000 1.162 42 F CA -0.476 57.698 58.000 0.290 0.000 0.946 42 F CB 1.576 40.866 39.000 0.483 0.000 1.211 42 F HN 0.591 nan 8.300 nan 0.000 0.447 43 E N 4.188 124.262 120.200 -0.211 0.000 2.207 43 E HA 0.823 5.173 4.350 -0.000 0.000 0.270 43 E C -1.122 175.403 176.600 -0.124 0.000 0.927 43 E CA -1.196 55.159 56.400 -0.075 0.000 0.799 43 E CB 2.122 31.781 29.700 -0.069 0.000 1.172 43 E HN 0.638 nan 8.360 nan 0.000 0.404 44 A N 2.267 125.118 122.820 0.052 0.000 2.532 44 A HA 0.571 4.891 4.320 -0.000 0.000 0.290 44 A C -2.190 175.426 177.584 0.053 0.000 1.143 44 A CA -1.446 50.637 52.037 0.078 0.000 0.728 44 A CB 0.727 19.838 19.000 0.184 0.000 1.317 44 A HN 0.411 nan 8.150 nan 0.000 0.414 45 P HA -0.139 nan 4.420 nan 0.000 0.214 45 P C 1.644 178.966 177.300 0.037 0.000 1.163 45 P CA 2.384 65.506 63.100 0.036 0.000 0.889 45 P CB 0.036 31.757 31.700 0.036 0.000 0.790 46 G N -1.185 107.642 108.800 0.046 0.000 2.418 46 G HA2 -0.033 3.927 3.960 -0.000 0.000 0.217 46 G HA3 -0.033 3.927 3.960 -0.000 0.000 0.217 46 G C 1.023 175.945 174.900 0.037 0.000 1.158 46 G CA 1.301 46.424 45.100 0.039 0.000 0.771 46 G HN 0.615 nan 8.290 nan 0.000 0.545 47 R N -1.832 118.701 120.500 0.056 0.000 3.003 47 R HA 0.824 5.164 4.340 -0.000 0.000 0.251 47 R C -1.554 174.785 176.300 0.067 0.000 1.265 47 R CA 0.033 56.165 56.100 0.053 0.000 1.026 47 R CB 0.951 nan 30.300 nan 0.000 1.307 47 R HN 0.484 nan 8.270 nan 0.000 0.475 48 V N 0.873 120.820 119.914 0.056 0.000 2.777 48 V HA 0.736 4.856 4.120 -0.000 0.000 0.306 48 V C -0.842 175.267 176.094 0.026 0.000 1.112 48 V CA -0.302 62.032 62.300 0.057 0.000 0.917 48 V CB 2.063 33.903 31.823 0.029 0.000 1.018 48 V HN 1.197 nan 8.190 nan 0.000 0.426 49 T N 2.873 117.446 114.554 0.030 0.000 2.841 49 T HA 0.732 5.082 4.350 -0.000 0.000 0.296 49 T C -0.849 173.747 174.700 -0.174 0.000 1.166 49 T CA -1.082 60.944 62.100 -0.125 0.000 1.007 49 T CB 2.230 70.901 68.868 -0.328 0.000 1.253 49 T HN 0.557 nan 8.240 nan 0.000 0.511 50 R N 0.122 120.413 120.500 -0.349 0.000 2.476 50 R HA 0.489 4.829 4.340 -0.000 0.000 0.305 50 R C -1.532 174.407 176.300 -0.603 0.000 0.965 50 R CA -0.671 55.215 56.100 -0.357 0.000 0.867 50 R CB 1.309 31.452 30.300 -0.263 0.000 1.176 50 R HN 0.584 nan 8.270 nan 0.000 0.447 51 Y N 3.072 123.001 120.300 -0.619 0.000 2.327 51 Y HA 0.300 4.850 4.550 -0.000 0.000 0.336 51 Y C -0.216 175.336 175.900 -0.580 0.000 1.035 51 Y CA -0.589 57.086 58.100 -0.709 0.000 1.165 51 Y CB 0.947 38.714 38.460 -1.155 0.000 1.181 51 Y HN 0.272 nan 8.280 nan 0.000 0.494 52 L N 2.337 123.387 121.223 -0.288 0.000 2.322 52 L HA 0.426 4.766 4.340 -0.000 0.000 0.281 52 L C 0.537 177.325 176.870 -0.137 0.000 1.014 52 L CA 0.392 55.098 54.840 -0.223 0.000 0.815 52 L CB 2.007 43.904 42.059 -0.271 0.000 1.247 52 L HN 0.637 nan 8.230 nan 0.000 0.421 53 S N -1.131 114.530 115.700 -0.065 0.000 2.651 53 S HA 0.119 4.589 4.470 -0.000 0.000 0.259 53 S C 0.358 174.971 174.600 0.022 0.000 1.073 53 S CA -0.116 58.077 58.200 -0.012 0.000 1.090 53 S CB 0.559 63.787 63.200 0.046 0.000 1.042 53 S HN 0.688 nan 8.310 nan 0.000 0.581 54 S N 1.256 116.968 115.700 0.020 0.000 2.617 54 S HA 0.391 4.861 4.470 -0.000 0.000 0.283 54 S C 0.802 175.435 174.600 0.055 0.000 1.189 54 S CA -0.545 57.686 58.200 0.053 0.000 1.036 54 S CB 1.319 64.549 63.200 0.051 0.000 1.014 54 S HN 0.135 nan 8.310 nan 0.000 0.522 55 Q N 1.868 121.721 119.800 0.088 0.000 2.135 55 Q HA -0.218 4.122 4.340 -0.000 0.000 0.204 55 Q C 2.204 178.243 176.000 0.066 0.000 0.981 55 Q CA 1.975 57.836 55.803 0.097 0.000 0.856 55 Q CB -0.279 28.520 28.738 0.102 0.000 0.902 55 Q HN 0.942 nan 8.270 nan 0.000 0.425 56 R N -0.327 120.204 120.500 0.051 0.000 2.081 56 R HA -0.098 4.242 4.340 -0.000 0.000 0.235 56 R C 2.302 178.620 176.300 0.029 0.000 1.131 56 R CA 1.531 57.657 56.100 0.043 0.000 0.960 56 R CB -0.668 29.657 30.300 0.042 0.000 0.856 56 R HN 0.262 nan 8.270 nan 0.000 0.436 57 L N 0.500 121.731 121.223 0.013 0.000 2.341 57 L HA 0.090 4.429 4.340 -0.000 0.000 0.214 57 L C 2.423 179.245 176.870 -0.080 0.000 1.115 57 L CA 0.392 55.220 54.840 -0.020 0.000 0.820 57 L CB -0.136 41.904 42.059 -0.031 0.000 0.944 57 L HN 0.154 nan 8.230 nan 0.000 0.452 58 I N -0.186 120.344 120.570 -0.066 0.000 2.439 58 I HA -0.284 3.886 4.170 -0.000 0.000 0.251 58 I C 2.936 178.982 176.117 -0.118 0.000 1.139 58 I CA 0.941 62.180 61.300 -0.102 0.000 1.438 58 I CB -0.240 37.732 38.000 -0.047 0.000 1.085 58 I HN 0.147 nan 8.210 nan 0.000 0.427 59 K N 1.051 121.415 120.400 -0.061 0.000 2.063 59 K HA -0.216 4.104 4.320 -0.000 0.000 0.208 59 K C 1.703 178.225 176.600 -0.131 0.000 1.048 59 K CA 1.924 58.141 56.287 -0.117 0.000 0.928 59 K CB -0.511 32.036 32.500 0.077 0.000 0.713 59 K HN 0.525 nan 8.250 nan 0.000 0.442 60 E N -0.570 119.599 120.200 -0.052 0.000 2.107 60 E HA 0.025 4.375 4.350 -0.000 0.000 0.191 60 E C 2.245 178.855 176.600 0.016 0.000 0.982 60 E CA 0.924 57.336 56.400 0.019 0.000 0.809 60 E CB -0.280 29.455 29.700 0.058 0.000 0.756 60 E HN 0.610 nan 8.360 nan 0.000 0.459 61 A N 0.497 123.182 122.820 -0.226 0.000 2.070 61 A HA -0.159 4.161 4.320 -0.000 0.000 0.220 61 A C 2.141 179.636 177.584 -0.148 0.000 1.159 61 A CA 0.844 52.573 52.037 -0.514 0.000 0.656 61 A CB -0.478 18.199 19.000 -0.538 0.000 0.800 61 A HN 0.323 nan 8.150 nan 0.000 0.453 62 C N 0.298 119.523 119.300 -0.125 0.000 2.626 62 C HA 0.098 4.558 4.460 -0.000 0.000 0.266 62 C C 0.822 175.788 174.990 -0.040 0.000 1.317 62 C CA -0.458 58.491 59.018 -0.115 0.000 1.716 62 C CB -1.318 26.172 27.740 -0.417 0.000 1.819 62 C HN 0.564 nan 8.230 nan 0.000 0.578 63 D N 1.536 121.962 120.400 0.043 0.000 2.348 63 D HA 0.006 4.646 4.640 -0.000 0.000 0.259 63 D C 1.021 177.365 176.300 0.074 0.000 1.296 63 D CA 0.356 54.399 54.000 0.072 0.000 0.931 63 D CB 0.341 41.195 40.800 0.091 0.000 1.067 63 D HN 0.468 nan 8.370 nan 0.000 0.503 64 E N 1.315 121.537 120.200 0.036 0.000 2.338 64 E HA -0.142 4.208 4.350 -0.000 0.000 0.197 64 E C 1.696 178.270 176.600 -0.044 0.000 1.007 64 E CA 0.709 57.109 56.400 0.000 0.000 0.849 64 E CB 0.175 29.879 29.700 0.007 0.000 0.774 64 E HN 0.530 nan 8.360 nan 0.000 0.506 65 S N 0.265 115.938 115.700 -0.045 0.000 2.489 65 S HA 0.000 4.470 4.470 -0.000 0.000 0.228 65 S C 1.783 176.284 174.600 -0.165 0.000 0.995 65 S CA 0.207 58.360 58.200 -0.079 0.000 0.934 65 S CB 0.155 63.325 63.200 -0.050 0.000 0.771 65 S HN 0.149 nan 8.310 nan 0.000 0.522 66 R N -0.823 119.536 120.500 -0.236 0.000 2.167 66 R HA 0.407 4.747 4.340 -0.000 0.000 0.201 66 R C -0.659 175.120 176.300 -0.868 0.000 1.024 66 R CA 0.382 56.148 56.100 -0.556 0.000 1.053 66 R CB 0.225 30.142 30.300 -0.639 0.000 0.987 66 R HN 0.380 nan 8.270 nan 0.000 0.493 67 F N -0.032 119.812 119.950 -0.177 0.000 2.576 67 F HA 0.370 4.897 4.527 -0.000 0.000 0.313 67 F C -0.357 175.255 175.800 -0.313 0.000 1.078 67 F CA -1.377 56.460 58.000 -0.272 0.000 0.921 67 F CB 1.901 40.788 39.000 -0.188 0.000 1.232 67 F HN -0.224 nan 8.300 nan 0.000 0.459 68 D N 0.663 120.850 120.400 -0.355 0.000 2.531 68 D HA 0.263 4.903 4.640 -0.000 0.000 0.244 68 D C -1.224 175.008 176.300 -0.114 0.000 1.090 68 D CA -0.855 52.982 54.000 -0.272 0.000 0.989 68 D CB 1.899 42.512 40.800 -0.312 0.000 1.433 68 D HN 0.475 nan 8.370 nan 0.000 0.492 69 K N 1.345 121.748 120.400 0.004 0.000 2.451 69 K HA 0.131 4.450 4.320 -0.000 0.000 0.280 69 K C -0.527 176.228 176.600 0.258 0.000 1.020 69 K CA -0.195 56.129 56.287 0.060 0.000 1.008 69 K CB 0.273 32.716 32.500 -0.095 0.000 0.917 69 K HN 0.359 nan 8.250 nan 0.000 0.478 70 N N 4.027 122.858 118.700 0.219 0.000 2.430 70 N HA 0.201 4.941 4.740 -0.000 0.000 0.292 70 N C -1.178 174.200 175.510 -0.219 0.000 1.051 70 N CA -0.588 52.598 53.050 0.226 0.000 0.917 70 N CB 0.784 39.431 38.487 0.267 0.000 1.164 70 N HN 0.505 nan 8.380 nan 0.000 0.484 71 L N 2.833 123.663 121.223 -0.655 0.000 2.342 71 L HA 0.239 4.579 4.340 -0.000 0.000 0.285 71 L C 0.800 177.461 176.870 -0.348 0.000 1.095 71 L CA -0.601 53.820 54.840 -0.698 0.000 0.843 71 L CB 0.071 41.504 42.059 -1.043 0.000 1.201 71 L HN 0.664 nan 8.230 nan 0.000 0.445 72 S N 1.545 117.088 115.700 -0.262 0.000 2.606 72 S HA -0.024 4.446 4.470 -0.000 0.000 0.257 72 S C 0.850 175.317 174.600 -0.222 0.000 1.327 72 S CA -0.453 57.640 58.200 -0.180 0.000 0.984 72 S CB 1.059 64.179 63.200 -0.134 0.000 0.941 72 S HN 0.617 nan 8.310 nan 0.000 0.576 73 Q N 0.912 120.591 119.800 -0.201 0.000 2.135 73 Q HA -0.045 4.295 4.340 -0.000 0.000 0.204 73 Q C 2.189 178.003 176.000 -0.310 0.000 0.981 73 Q CA 2.175 57.780 55.803 -0.329 0.000 0.856 73 Q CB -1.190 27.384 28.738 -0.274 0.000 0.902 73 Q HN 0.885 nan 8.270 nan 0.000 0.425 74 A N 0.133 122.880 122.820 -0.121 0.000 1.858 74 A HA -0.162 4.158 4.320 -0.000 0.000 0.216 74 A C 2.117 179.659 177.584 -0.069 0.000 1.190 74 A CA 1.533 53.570 52.037 -0.001 0.000 0.617 74 A CB -0.870 18.144 19.000 0.023 0.000 0.827 74 A HN 0.453 nan 8.150 nan 0.000 0.443 75 L N -0.944 120.160 121.223 -0.199 0.000 2.079 75 L HA -0.225 4.114 4.340 -0.000 0.000 0.210 75 L C 2.599 179.288 176.870 -0.302 0.000 1.081 75 L CA 1.862 56.512 54.840 -0.316 0.000 0.752 75 L CB -0.508 41.266 42.059 -0.475 0.000 0.896 75 L HN 0.406 nan 8.230 nan 0.000 0.433 76 K N -0.648 119.561 120.400 -0.318 0.000 2.097 76 K HA -0.147 4.173 4.320 -0.000 0.000 0.206 76 K C 1.996 178.490 176.600 -0.176 0.000 1.049 76 K CA 1.260 57.368 56.287 -0.299 0.000 0.933 76 K CB -0.131 32.157 32.500 -0.353 0.000 0.717 76 K HN 0.057 nan 8.250 nan 0.000 0.442 77 F N 0.401 120.286 119.950 -0.109 0.000 2.186 77 F HA -0.122 4.404 4.527 -0.000 0.000 0.299 77 F C 2.129 177.881 175.800 -0.080 0.000 1.090 77 F CA 0.550 58.510 58.000 -0.068 0.000 1.307 77 F CB -0.670 38.290 39.000 -0.066 0.000 1.019 77 F HN -0.242 nan 8.300 nan 0.000 0.489 78 V N -0.094 119.813 119.914 -0.012 0.000 2.759 78 V HA -0.212 3.908 4.120 -0.000 0.000 0.256 78 V C 2.475 178.204 176.094 -0.609 0.000 1.080 78 V CA 1.416 63.479 62.300 -0.394 0.000 1.101 78 V CB -0.692 31.006 31.823 -0.208 0.000 0.698 78 V HN 0.226 nan 8.190 nan 0.000 0.477 79 R N 0.254 120.561 120.500 -0.322 0.000 2.193 79 R HA -0.162 4.178 4.340 -0.000 0.000 0.229 79 R C 1.718 177.874 176.300 -0.239 0.000 1.110 79 R CA 1.338 57.255 56.100 -0.305 0.000 0.988 79 R CB -0.218 29.936 30.300 -0.244 0.000 0.871 79 R HN 0.477 nan 8.270 nan 0.000 0.458 80 D N -0.171 120.179 120.400 -0.085 0.000 2.263 80 D HA -0.164 4.476 4.640 -0.000 0.000 0.208 80 D C 1.122 177.473 176.300 0.084 0.000 0.971 80 D CA 1.212 55.267 54.000 0.093 0.000 0.867 80 D CB 0.054 41.090 40.800 0.392 0.000 0.929 80 D HN 0.497 nan 8.370 nan 0.000 0.492 81 F N -2.306 117.672 119.950 0.047 0.000 2.789 81 F HA 0.553 5.080 4.527 -0.000 0.000 0.320 81 F C 1.720 177.586 175.800 0.110 0.000 1.079 81 F CA -0.352 57.668 58.000 0.034 0.000 1.205 81 F CB -0.128 38.831 39.000 -0.069 0.000 1.046 81 F HN -0.122 nan 8.300 nan 0.000 0.586 82 A N 0.997 123.639 122.820 -0.296 0.000 2.238 82 A HA 0.568 4.888 4.320 -0.000 0.000 0.210 82 A C 1.912 179.266 177.584 -0.383 0.000 1.179 82 A CA 0.630 52.594 52.037 -0.121 0.000 0.827 82 A CB -1.271 17.643 19.000 -0.144 0.000 0.856 82 A HN 0.787 nan 8.150 nan 0.000 0.488 83 G N 1.298 109.688 108.800 -0.683 0.000 2.614 83 G HA2 -0.386 3.574 3.960 -0.000 0.000 0.303 83 G HA3 -0.386 3.574 3.960 -0.000 0.000 0.303 83 G C 0.187 174.723 174.900 -0.607 0.000 1.270 83 G CA 0.621 45.051 45.100 -1.117 0.000 0.988 83 G HN 0.962 nan 8.290 nan 0.000 0.551 84 D N 1.408 121.501 120.400 -0.512 0.000 2.894 84 D HA 0.466 5.106 4.640 -0.000 0.000 0.248 84 D C 1.039 177.322 176.300 -0.028 0.000 1.291 84 D CA 0.684 54.587 54.000 -0.163 0.000 0.840 84 D CB -0.394 40.372 40.800 -0.057 0.000 1.044 84 D HN 0.817 nan 8.370 nan 0.000 0.484 85 G N -0.039 108.739 108.800 -0.038 0.000 2.667 85 G HA2 0.203 4.163 3.960 -0.000 0.000 0.250 85 G HA3 0.203 4.163 3.960 -0.000 0.000 0.250 85 G C 1.026 175.995 174.900 0.115 0.000 1.212 85 G CA -0.679 44.455 45.100 0.057 0.000 0.874 85 G HN 0.283 nan 8.290 nan 0.000 0.561 86 L N -0.297 121.029 121.223 0.172 0.000 2.083 86 L HA -0.079 4.261 4.340 -0.000 0.000 0.209 86 L C 2.461 179.537 176.870 0.344 0.000 1.083 86 L CA 0.941 55.961 54.840 0.301 0.000 0.752 86 L CB -0.283 41.927 42.059 0.253 0.000 0.899 86 L HN 0.570 nan 8.230 nan 0.000 0.433 87 F N 0.697 120.688 119.950 0.069 0.000 2.259 87 F HA -0.135 4.392 4.527 -0.000 0.000 0.298 87 F C 2.165 177.912 175.800 -0.089 0.000 1.088 87 F CA 1.560 59.561 58.000 0.001 0.000 1.358 87 F CB -0.144 38.855 39.000 -0.002 0.000 1.040 87 F HN 0.053 nan 8.300 nan 0.000 0.505 88 T N -2.579 111.897 114.554 -0.130 0.000 3.228 88 T HA 0.344 4.694 4.350 -0.000 0.000 0.278 88 T C 0.392 174.886 174.700 -0.343 0.000 1.014 88 T CA -0.269 61.621 62.100 -0.351 0.000 0.904 88 T CB -0.325 68.360 68.868 -0.306 0.000 1.110 88 T HN -0.030 nan 8.240 nan 0.000 0.541 89 S N 0.915 116.478 115.700 -0.227 0.000 2.608 89 S HA 0.587 5.057 4.470 -0.000 0.000 0.291 89 S C -0.691 173.695 174.600 -0.357 0.000 1.146 89 S CA -0.920 57.165 58.200 -0.190 0.000 1.043 89 S CB 0.665 63.928 63.200 0.106 0.000 1.037 89 S HN 0.534 nan 8.310 nan 0.000 0.520 90 W N 1.025 122.160 121.300 -0.276 0.000 2.237 90 W HA 0.222 4.882 4.660 -0.000 0.000 0.335 90 W C 1.675 177.901 176.519 -0.489 0.000 1.230 90 W CA -0.366 56.734 57.345 -0.409 0.000 1.253 90 W CB 0.066 29.144 29.460 -0.636 0.000 1.129 90 W HN 0.617 nan 8.180 nan 0.000 0.590 91 T N 0.456 114.857 114.554 -0.255 0.000 2.881 91 T HA -0.259 4.091 4.350 -0.000 0.000 0.270 91 T C 1.550 176.197 174.700 -0.088 0.000 1.068 91 T CA 1.791 63.589 62.100 -0.504 0.000 1.131 91 T CB -0.391 68.199 68.868 -0.464 0.000 0.871 91 T HN 0.540 nan 8.240 nan 0.000 0.479 92 H N 0.722 119.850 119.070 0.096 0.000 2.547 92 H HA 0.240 4.796 4.556 -0.000 0.000 0.272 92 H C 0.350 175.773 175.328 0.159 0.000 0.989 92 H CA 0.134 56.248 56.048 0.109 0.000 1.214 92 H CB -0.187 29.600 29.762 0.043 0.000 1.389 92 H HN 0.377 nan 8.280 nan 0.000 0.577 93 E N 2.241 122.401 120.200 -0.067 0.000 2.376 93 E HA -0.007 4.343 4.350 -0.000 0.000 0.266 93 E C 1.042 177.762 176.600 0.200 0.000 1.009 93 E CA -0.264 56.196 56.400 0.101 0.000 0.902 93 E CB 1.636 31.380 29.700 0.074 0.000 0.972 93 E HN 0.296 nan 8.360 nan 0.000 0.439 94 K N 3.542 124.042 120.400 0.167 0.000 2.059 94 K HA -0.298 4.022 4.320 -0.000 0.000 0.212 94 K C 1.155 177.833 176.600 0.130 0.000 1.050 94 K CA 2.033 58.405 56.287 0.143 0.000 0.927 94 K CB -0.046 32.518 32.500 0.107 0.000 0.714 94 K HN 0.478 nan 8.250 nan 0.000 0.447 95 N N -0.698 118.075 118.700 0.121 0.000 2.289 95 N HA -0.178 4.562 4.740 -0.000 0.000 0.184 95 N C 1.372 176.937 175.510 0.091 0.000 1.016 95 N CA 0.958 54.064 53.050 0.094 0.000 0.872 95 N CB -0.133 38.409 38.487 0.093 0.000 0.973 95 N HN 0.351 nan 8.380 nan 0.000 0.433 96 W N 2.462 123.789 121.300 0.045 0.000 2.353 96 W HA -0.186 4.474 4.660 -0.000 0.000 0.319 96 W C 2.333 178.910 176.519 0.097 0.000 1.207 96 W CA 1.426 58.801 57.345 0.050 0.000 1.291 96 W CB -0.253 29.210 29.460 0.004 0.000 1.159 96 W HN -0.186 nan 8.180 nan 0.000 0.478 97 K N 0.920 121.335 120.400 0.025 0.000 2.097 97 K HA -0.150 4.170 4.320 -0.000 0.000 0.206 97 K C 1.959 178.464 176.600 -0.158 0.000 1.049 97 K CA 1.904 58.097 56.287 -0.156 0.000 0.933 97 K CB -0.473 32.143 32.500 0.193 0.000 0.717 97 K HN 0.134 nan 8.250 nan 0.000 0.442 98 K N -0.557 119.807 120.400 -0.060 0.000 2.025 98 K HA -0.022 4.298 4.320 -0.000 0.000 0.207 98 K C 2.074 178.629 176.600 -0.076 0.000 1.049 98 K CA 1.257 57.520 56.287 -0.039 0.000 0.933 98 K CB -0.244 32.259 32.500 0.004 0.000 0.714 98 K HN 0.196 nan 8.250 nan 0.000 0.438 99 A N 1.144 123.905 122.820 -0.099 0.000 1.933 99 A HA -0.226 4.094 4.320 -0.000 0.000 0.218 99 A C 2.058 179.562 177.584 -0.134 0.000 1.175 99 A CA 1.518 53.511 52.037 -0.074 0.000 0.628 99 A CB -0.839 18.138 19.000 -0.039 0.000 0.814 99 A HN 0.419 nan 8.150 nan 0.000 0.444 100 H N 0.278 119.071 119.070 -0.462 0.000 2.319 100 H HA -0.143 4.412 4.556 -0.000 0.000 0.299 100 H C 1.730 176.921 175.328 -0.230 0.000 1.092 100 H CA 1.988 57.745 56.048 -0.486 0.000 1.302 100 H CB -0.073 29.003 29.762 -1.144 0.000 1.373 100 H HN 0.405 nan 8.280 nan 0.000 0.497 101 N N 0.692 119.263 118.700 -0.214 0.000 2.166 101 N HA -0.098 4.642 4.740 -0.000 0.000 0.186 101 N C 2.305 177.742 175.510 -0.122 0.000 1.019 101 N CA 1.048 54.008 53.050 -0.150 0.000 0.856 101 N CB -0.259 38.204 38.487 -0.040 0.000 0.993 101 N HN 0.456 nan 8.380 nan 0.000 0.426 102 I N -0.027 120.495 120.570 -0.080 0.000 2.286 102 I HA -0.149 4.021 4.170 -0.000 0.000 0.245 102 I C 1.433 177.540 176.117 -0.015 0.000 1.104 102 I CA 0.596 61.877 61.300 -0.032 0.000 1.397 102 I CB 0.071 38.072 38.000 0.001 0.000 1.072 102 I HN 0.055 nan 8.210 nan 0.000 0.417 103 L N 0.125 121.354 121.223 0.010 0.000 2.418 103 L HA 0.001 4.341 4.340 -0.000 0.000 0.218 103 L C 2.219 179.170 176.870 0.135 0.000 1.125 103 L CA 1.215 56.130 54.840 0.125 0.000 0.835 103 L CB -0.866 41.371 42.059 0.298 0.000 0.953 103 L HN 0.222 nan 8.230 nan 0.000 0.454 104 L N 0.407 121.612 121.223 -0.030 0.000 1.997 104 L HA -0.230 4.110 4.340 -0.000 0.000 0.216 104 L C -0.178 176.714 176.870 0.036 0.000 1.074 104 L CA 1.811 56.636 54.840 -0.025 0.000 0.763 104 L CB -1.516 40.440 42.059 -0.172 0.000 0.890 104 L HN 0.241 nan 8.230 nan 0.000 0.434 105 P HA -0.080 nan 4.420 nan 0.000 0.222 105 P C 1.416 178.658 177.300 -0.098 0.000 1.147 105 P CA 1.095 64.161 63.100 -0.057 0.000 0.790 105 P CB 0.092 31.737 31.700 -0.091 0.000 0.780 106 S N -1.990 113.637 115.700 -0.122 0.000 2.562 106 S HA 0.114 4.584 4.470 -0.000 0.000 0.221 106 S C 0.759 175.262 174.600 -0.162 0.000 0.975 106 S CA 0.444 58.517 58.200 -0.213 0.000 0.918 106 S CB -0.615 62.451 63.200 -0.223 0.000 0.772 106 S HN 0.096 nan 8.310 nan 0.000 0.531 107 F N 1.610 121.610 119.950 0.082 0.000 2.661 107 F HA 0.291 4.818 4.527 -0.000 0.000 0.306 107 F C 1.349 177.219 175.800 0.117 0.000 1.094 107 F CA -0.678 57.398 58.000 0.126 0.000 1.254 107 F CB 0.014 39.037 39.000 0.039 0.000 1.040 107 F HN 0.042 nan 8.300 nan 0.000 0.562 108 S N -0.669 115.149 115.700 0.197 0.000 2.617 108 S HA 0.051 4.521 4.470 -0.000 0.000 0.259 108 S C 1.386 176.064 174.600 0.129 0.000 1.301 108 S CA -0.320 57.961 58.200 0.136 0.000 0.984 108 S CB 0.909 64.143 63.200 0.057 0.000 0.954 108 S HN 0.237 nan 8.310 nan 0.000 0.572 109 Q N 0.053 119.920 119.800 0.111 0.000 2.084 109 Q HA -0.123 4.216 4.340 -0.000 0.000 0.202 109 Q C 2.214 178.247 176.000 0.056 0.000 0.978 109 Q CA 1.806 57.682 55.803 0.122 0.000 0.844 109 Q CB -0.583 28.235 28.738 0.134 0.000 0.898 109 Q HN 0.770 nan 8.270 nan 0.000 0.426 110 Q N -0.396 119.401 119.800 -0.005 0.000 2.096 110 Q HA -0.134 4.206 4.340 -0.000 0.000 0.204 110 Q C 1.830 177.714 176.000 -0.194 0.000 0.982 110 Q CA 1.889 57.628 55.803 -0.107 0.000 0.850 110 Q CB -0.468 28.219 28.738 -0.085 0.000 0.901 110 Q HN 0.503 nan 8.270 nan 0.000 0.422 111 A N 0.217 122.950 122.820 -0.145 0.000 2.067 111 A HA -0.139 4.181 4.320 -0.000 0.000 0.219 111 A C 1.957 179.344 177.584 -0.328 0.000 1.158 111 A CA 1.212 53.101 52.037 -0.247 0.000 0.661 111 A CB -0.378 18.532 19.000 -0.151 0.000 0.801 111 A HN 0.322 nan 8.150 nan 0.000 0.452 112 M N 0.059 119.581 119.600 -0.131 0.000 2.202 112 M HA -0.158 4.322 4.480 -0.000 0.000 0.262 112 M C 1.734 177.864 176.300 -0.283 0.000 1.063 112 M CA 1.394 56.628 55.300 -0.111 0.000 1.097 112 M CB -1.186 31.359 32.600 -0.093 0.000 1.382 112 M HN 0.432 nan 8.290 nan 0.000 0.413 113 K N -0.305 119.782 120.400 -0.521 0.000 2.113 113 K HA -0.135 4.185 4.320 -0.000 0.000 0.208 113 K C 2.019 178.438 176.600 -0.302 0.000 1.047 113 K CA 1.458 57.381 56.287 -0.607 0.000 0.928 113 K CB -0.507 31.579 32.500 -0.689 0.000 0.716 113 K HN 0.506 nan 8.250 nan 0.000 0.446 114 G N -0.688 107.895 108.800 -0.362 0.000 2.683 114 G HA2 -0.134 3.826 3.960 -0.000 0.000 0.213 114 G HA3 -0.134 3.826 3.960 -0.000 0.000 0.213 114 G C 0.834 175.574 174.900 -0.267 0.000 1.142 114 G CA 0.124 45.039 45.100 -0.310 0.000 0.793 114 G HN 0.197 nan 8.290 nan 0.000 0.534 115 Y N -0.560 119.731 120.300 -0.015 0.000 2.517 115 Y HA 0.147 4.696 4.550 -0.000 0.000 0.281 115 Y C 2.300 178.207 175.900 0.012 0.000 1.125 115 Y CA -0.388 57.709 58.100 -0.005 0.000 1.283 115 Y CB -0.600 37.834 38.460 -0.043 0.000 1.042 115 Y HN 0.325 nan 8.280 nan 0.000 0.547 116 H N 0.335 119.455 119.070 0.084 0.000 2.321 116 H HA -0.250 4.306 4.556 -0.000 0.000 0.295 116 H C 2.137 177.538 175.328 0.122 0.000 1.102 116 H CA 1.681 57.821 56.048 0.153 0.000 1.266 116 H CB 0.072 29.956 29.762 0.203 0.000 1.363 116 H HN 0.358 nan 8.280 nan 0.000 0.492 117 A N 0.794 123.653 122.820 0.066 0.000 1.902 117 A HA -0.166 4.154 4.320 -0.000 0.000 0.217 117 A C 2.728 180.296 177.584 -0.028 0.000 1.181 117 A CA 1.654 53.695 52.037 0.006 0.000 0.623 117 A CB -0.659 18.371 19.000 0.051 0.000 0.818 117 A HN 0.454 nan 8.150 nan 0.000 0.443 118 M N -1.126 118.483 119.600 0.016 0.000 2.132 118 M HA -0.114 4.366 4.480 -0.000 0.000 0.263 118 M C 2.384 178.681 176.300 -0.004 0.000 1.065 118 M CA 1.540 56.853 55.300 0.021 0.000 1.122 118 M CB -0.415 32.224 32.600 0.066 0.000 1.365 118 M HN 0.420 nan 8.290 nan 0.000 0.411 119 M N -0.644 118.938 119.600 -0.031 0.000 2.108 119 M HA -0.204 4.276 4.480 -0.000 0.000 0.261 119 M C 2.171 178.415 176.300 -0.094 0.000 1.066 119 M CA 1.357 56.620 55.300 -0.061 0.000 1.107 119 M CB -0.742 31.809 32.600 -0.082 0.000 1.356 119 M HN 0.134 nan 8.290 nan 0.000 0.406 120 V N 0.758 120.563 119.914 -0.182 0.000 2.332 120 V HA -0.307 3.813 4.120 -0.000 0.000 0.248 120 V C 2.242 178.293 176.094 -0.072 0.000 1.055 120 V CA 2.164 64.369 62.300 -0.159 0.000 1.038 120 V CB -0.798 30.900 31.823 -0.208 0.000 0.651 120 V HN 0.532 nan 8.190 nan 0.000 0.450 121 D N 0.262 120.634 120.400 -0.045 0.000 2.127 121 D HA -0.206 4.434 4.640 -0.000 0.000 0.190 121 D C 2.022 178.328 176.300 0.009 0.000 1.000 121 D CA 1.863 55.855 54.000 -0.014 0.000 0.839 121 D CB -0.022 40.777 40.800 -0.002 0.000 0.955 121 D HN 0.320 nan 8.370 nan 0.000 0.446 122 I N 1.205 121.796 120.570 0.035 0.000 2.353 122 I HA -0.126 4.044 4.170 -0.000 0.000 0.248 122 I C 2.686 178.834 176.117 0.052 0.000 1.119 122 I CA 0.721 62.082 61.300 0.101 0.000 1.417 122 I CB -1.667 36.418 38.000 0.141 0.000 1.078 122 I HN -0.025 nan 8.210 nan 0.000 0.421 123 A N 0.806 123.620 122.820 -0.011 0.000 1.933 123 A HA -0.115 4.205 4.320 -0.000 0.000 0.218 123 A C 2.540 180.044 177.584 -0.133 0.000 1.175 123 A CA 1.538 53.535 52.037 -0.067 0.000 0.628 123 A CB -0.885 18.080 19.000 -0.057 0.000 0.814 123 A HN 0.237 nan 8.150 nan 0.000 0.444 124 V N 0.087 119.936 119.914 -0.108 0.000 2.407 124 V HA -0.314 3.806 4.120 -0.000 0.000 0.248 124 V C 2.601 178.576 176.094 -0.199 0.000 1.055 124 V CA 2.204 64.420 62.300 -0.140 0.000 1.049 124 V CB -0.899 30.868 31.823 -0.092 0.000 0.662 124 V HN 0.647 nan 8.190 nan 0.000 0.455 125 Q N -0.733 118.957 119.800 -0.183 0.000 2.119 125 Q HA -0.153 4.187 4.340 -0.000 0.000 0.201 125 Q C 2.354 177.926 176.000 -0.714 0.000 0.972 125 Q CA 1.293 56.914 55.803 -0.303 0.000 0.847 125 Q CB -0.255 28.431 28.738 -0.087 0.000 0.903 125 Q HN 0.479 nan 8.270 nan 0.000 0.433 126 L N 0.766 121.516 121.223 -0.787 0.000 2.017 126 L HA -0.154 4.186 4.340 -0.000 0.000 0.208 126 L C 2.211 178.559 176.870 -0.870 0.000 1.073 126 L CA 1.504 55.684 54.840 -1.099 0.000 0.745 126 L CB -0.687 40.934 42.059 -0.730 0.000 0.894 126 L HN 0.107 nan 8.230 nan 0.000 0.432 127 V N 0.501 120.111 119.914 -0.507 0.000 2.287 127 V HA -0.350 3.769 4.120 -0.000 0.000 0.248 127 V C 2.702 178.734 176.094 -0.104 0.000 1.053 127 V CA 2.051 64.231 62.300 -0.200 0.000 1.027 127 V CB -0.679 31.033 31.823 -0.184 0.000 0.646 127 V HN 0.544 nan 8.190 nan 0.000 0.447 128 Q N -0.331 119.342 119.800 -0.212 0.000 2.124 128 Q HA -0.268 4.072 4.340 -0.000 0.000 0.202 128 Q C 2.395 178.315 176.000 -0.132 0.000 0.977 128 Q CA 1.810 57.526 55.803 -0.146 0.000 0.850 128 Q CB -0.275 28.365 28.738 -0.163 0.000 0.901 128 Q HN 0.607 nan 8.270 nan 0.000 0.429 129 K N 0.111 120.347 120.400 -0.273 0.000 2.009 129 K HA -0.195 4.125 4.320 -0.000 0.000 0.210 129 K C 1.660 178.289 176.600 0.049 0.000 1.049 129 K CA 1.582 57.754 56.287 -0.192 0.000 0.929 129 K CB -0.035 32.248 32.500 -0.363 0.000 0.714 129 K HN 0.244 nan 8.250 nan 0.000 0.440 130 W N 1.618 122.807 121.300 -0.185 0.000 2.436 130 W HA -0.027 4.633 4.660 -0.000 0.000 0.284 130 W C 1.943 178.434 176.519 -0.047 0.000 1.225 130 W CA 0.262 57.462 57.345 -0.241 0.000 1.271 130 W CB -0.618 28.482 29.460 -0.601 0.000 1.114 130 W HN 0.198 nan 8.180 nan 0.000 0.559 131 E N 0.247 120.660 120.200 0.356 0.000 2.150 131 E HA -0.134 4.216 4.350 -0.000 0.000 0.193 131 E C 1.772 178.444 176.600 0.118 0.000 0.985 131 E CA 1.012 57.583 56.400 0.284 0.000 0.814 131 E CB -0.265 29.522 29.700 0.144 0.000 0.752 131 E HN 0.378 nan 8.360 nan 0.000 0.466 132 R N 0.103 120.642 120.500 0.064 0.000 2.317 132 R HA 0.216 4.556 4.340 -0.000 0.000 0.208 132 R C 0.642 176.945 176.300 0.005 0.000 0.914 132 R CA -0.181 55.929 56.100 0.017 0.000 1.060 132 R CB 0.215 30.508 30.300 -0.013 0.000 1.015 132 R HN 0.032 nan 8.270 nan 0.000 0.498 133 L N 1.723 122.951 121.223 0.007 0.000 2.439 133 L HA 0.057 4.397 4.340 -0.000 0.000 0.269 133 L C 0.547 177.396 176.870 -0.035 0.000 1.179 133 L CA -0.144 54.675 54.840 -0.034 0.000 0.828 133 L CB 0.249 42.259 42.059 -0.082 0.000 1.106 133 L HN 0.145 nan 8.230 nan 0.000 0.467 134 N N 0.887 119.561 118.700 -0.044 0.000 2.408 134 N HA 0.132 4.872 4.740 -0.000 0.000 0.260 134 N C 0.825 176.306 175.510 -0.049 0.000 1.242 134 N CA 0.215 53.243 53.050 -0.036 0.000 0.959 134 N CB 1.087 39.555 38.487 -0.031 0.000 1.201 134 N HN 0.729 nan 8.380 nan 0.000 0.511 135 A N 0.765 123.561 122.820 -0.040 0.000 1.903 135 A HA -0.209 4.111 4.320 -0.000 0.000 0.219 135 A C 1.068 178.618 177.584 -0.056 0.000 1.191 135 A CA 1.808 53.818 52.037 -0.046 0.000 0.638 135 A CB -0.473 18.509 19.000 -0.031 0.000 0.823 135 A HN 0.651 nan 8.150 nan 0.000 0.451 136 D N 0.399 120.773 120.400 -0.043 0.000 2.348 136 D HA 0.169 4.809 4.640 -0.000 0.000 0.248 136 D C 0.314 176.587 176.300 -0.044 0.000 1.142 136 D CA 0.381 54.359 54.000 -0.036 0.000 0.904 136 D CB 0.006 40.795 40.800 -0.018 0.000 0.901 136 D HN 0.667 nan 8.370 nan 0.000 0.523 137 E N -0.232 119.919 120.200 -0.083 0.000 2.299 137 E HA 0.362 4.712 4.350 -0.000 0.000 0.260 137 E C 0.062 176.569 176.600 -0.155 0.000 0.944 137 E CA -0.902 55.429 56.400 -0.113 0.000 0.815 137 E CB 1.627 31.241 29.700 -0.144 0.000 1.252 137 E HN 0.250 nan 8.360 nan 0.000 0.418 138 H N -0.795 118.141 119.070 -0.223 0.000 2.941 138 H HA 0.557 5.113 4.556 -0.000 0.000 0.344 138 H C -1.015 174.134 175.328 -0.299 0.000 1.235 138 H CA -1.001 54.853 56.048 -0.323 0.000 1.149 138 H CB 0.760 30.331 29.762 -0.319 0.000 1.885 138 H HN 0.340 nan 8.280 nan 0.000 0.558 139 I N 1.192 121.571 120.570 -0.319 0.000 2.412 139 I HA 0.129 4.299 4.170 -0.000 0.000 0.296 139 I C -0.094 175.911 176.117 -0.185 0.000 0.987 139 I CA -0.563 60.497 61.300 -0.401 0.000 1.180 139 I CB 1.779 39.298 38.000 -0.802 0.000 1.340 139 I HN 0.467 nan 8.210 nan 0.000 0.455 140 E N 5.220 125.343 120.200 -0.128 0.000 2.044 140 E HA 0.138 4.488 4.350 -0.000 0.000 0.282 140 E C 0.641 177.192 176.600 -0.082 0.000 1.031 140 E CA -0.312 56.044 56.400 -0.072 0.000 0.824 140 E CB 1.494 31.184 29.700 -0.017 0.000 1.076 140 E HN 0.436 nan 8.360 nan 0.000 0.395 141 V N 5.451 125.248 119.914 -0.195 0.000 2.237 141 V HA -0.187 3.933 4.120 -0.000 0.000 0.245 141 V C -0.891 175.220 176.094 0.029 0.000 1.046 141 V CA 1.666 63.900 62.300 -0.111 0.000 1.007 141 V CB -1.232 30.409 31.823 -0.302 0.000 0.638 141 V HN 0.600 nan 8.190 nan 0.000 0.445 142 P HA -0.117 nan 4.420 nan 0.000 0.217 142 P C 1.406 178.729 177.300 0.037 0.000 1.150 142 P CA 1.348 64.451 63.100 0.005 0.000 0.832 142 P CB 0.046 31.715 31.700 -0.051 0.000 0.787 143 E N -0.027 120.193 120.200 0.034 0.000 2.031 143 E HA -0.174 4.176 4.350 -0.000 0.000 0.193 143 E C 1.891 178.552 176.600 0.101 0.000 0.994 143 E CA 1.396 57.828 56.400 0.053 0.000 0.800 143 E CB -0.888 28.836 29.700 0.041 0.000 0.752 143 E HN 0.203 nan 8.360 nan 0.000 0.447 144 D N -0.606 119.898 120.400 0.174 0.000 2.144 144 D HA -0.097 4.543 4.640 -0.000 0.000 0.200 144 D C 1.760 178.211 176.300 0.252 0.000 0.978 144 D CA 0.798 54.978 54.000 0.299 0.000 0.833 144 D CB -0.035 41.063 40.800 0.496 0.000 0.961 144 D HN 0.096 nan 8.370 nan 0.000 0.470 145 M N 0.253 119.973 119.600 0.200 0.000 2.117 145 M HA -0.095 4.385 4.480 -0.000 0.000 0.262 145 M C 2.124 178.498 176.300 0.124 0.000 1.065 145 M CA 1.167 56.562 55.300 0.158 0.000 1.114 145 M CB -1.321 31.360 32.600 0.135 0.000 1.361 145 M HN -0.058 nan 8.290 nan 0.000 0.408 146 T N 0.043 114.655 114.554 0.097 0.000 2.857 146 T HA -0.059 4.291 4.350 -0.000 0.000 0.266 146 T C 2.021 176.755 174.700 0.057 0.000 1.048 146 T CA 0.945 63.103 62.100 0.097 0.000 1.139 146 T CB -0.075 68.848 68.868 0.092 0.000 0.874 146 T HN 0.356 nan 8.240 nan 0.000 0.455 147 R N 0.418 120.906 120.500 -0.021 0.000 2.083 147 R HA -0.035 4.305 4.340 -0.000 0.000 0.237 147 R C 2.481 178.648 176.300 -0.221 0.000 1.137 147 R CA 1.263 57.224 56.100 -0.231 0.000 0.951 147 R CB -0.644 29.343 30.300 -0.521 0.000 0.851 147 R HN 0.309 nan 8.270 nan 0.000 0.434 148 L N 0.864 122.084 121.223 -0.004 0.000 2.017 148 L HA -0.178 4.162 4.340 -0.000 0.000 0.208 148 L C 2.487 179.440 176.870 0.139 0.000 1.073 148 L CA 2.275 57.203 54.840 0.146 0.000 0.745 148 L CB -0.592 41.608 42.059 0.235 0.000 0.894 148 L HN 0.283 nan 8.230 nan 0.000 0.432 149 T N -2.298 112.346 114.554 0.150 0.000 2.777 149 T HA -0.170 4.180 4.350 -0.000 0.000 0.266 149 T C 1.975 176.810 174.700 0.225 0.000 1.040 149 T CA 1.542 63.763 62.100 0.201 0.000 1.141 149 T CB -0.877 68.112 68.868 0.202 0.000 0.868 149 T HN 0.382 nan 8.240 nan 0.000 0.444 150 L N 1.030 122.367 121.223 0.189 0.000 2.017 150 L HA -0.089 4.251 4.340 -0.000 0.000 0.208 150 L C 2.642 179.704 176.870 0.321 0.000 1.073 150 L CA 1.792 56.747 54.840 0.193 0.000 0.745 150 L CB -0.628 41.446 42.059 0.024 0.000 0.894 150 L HN 0.207 nan 8.230 nan 0.000 0.432 151 D N -1.022 119.524 120.400 0.244 0.000 2.144 151 D HA -0.141 4.499 4.640 -0.000 0.000 0.200 151 D C 2.171 178.587 176.300 0.192 0.000 0.978 151 D CA 1.368 55.520 54.000 0.253 0.000 0.833 151 D CB -0.088 40.783 40.800 0.118 0.000 0.961 151 D HN 0.212 nan 8.370 nan 0.000 0.470 152 T N 0.185 114.862 114.554 0.204 0.000 2.812 152 T HA -0.004 4.346 4.350 -0.000 0.000 0.264 152 T C 2.122 176.996 174.700 0.290 0.000 1.042 152 T CA 0.486 62.713 62.100 0.212 0.000 1.140 152 T CB -0.107 68.892 68.868 0.218 0.000 0.870 152 T HN 0.134 nan 8.240 nan 0.000 0.445 153 I N 1.246 122.007 120.570 0.319 0.000 2.252 153 I HA -0.055 4.115 4.170 -0.000 0.000 0.245 153 I C 2.880 179.166 176.117 0.283 0.000 1.102 153 I CA 1.119 62.582 61.300 0.273 0.000 1.385 153 I CB -0.674 37.454 38.000 0.213 0.000 1.064 153 I HN 0.296 nan 8.210 nan 0.000 0.414 154 G N 1.065 110.057 108.800 0.319 0.000 2.446 154 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.217 154 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.217 154 G C 1.624 176.427 174.900 -0.161 0.000 1.168 154 G CA 0.703 45.861 45.100 0.096 0.000 0.771 154 G HN 0.218 nan 8.290 nan 0.000 0.551 155 L N 0.472 121.641 121.223 -0.091 0.000 2.005 155 L HA 0.040 4.380 4.340 -0.000 0.000 0.207 155 L C 2.788 179.655 176.870 -0.006 0.000 1.072 155 L CA 1.558 56.337 54.840 -0.101 0.000 0.744 155 L CB -0.761 41.269 42.059 -0.049 0.000 0.895 155 L HN 0.272 nan 8.230 nan 0.000 0.433 156 C N -0.411 118.941 119.300 0.086 0.000 2.446 156 C HA 0.096 4.556 4.460 -0.000 0.000 0.279 156 C C 2.634 177.643 174.990 0.031 0.000 1.366 156 C CA 0.424 59.497 59.018 0.091 0.000 1.763 156 C CB -1.687 26.140 27.740 0.144 0.000 1.929 156 C HN 0.739 nan 8.230 nan 0.000 0.509 157 G N 0.130 109.000 108.800 0.117 0.000 2.426 157 G HA2 0.082 4.042 3.960 -0.000 0.000 0.214 157 G HA3 0.082 4.042 3.960 -0.000 0.000 0.214 157 G C 0.782 175.894 174.900 0.354 0.000 1.156 157 G CA 1.026 46.258 45.100 0.220 0.000 0.802 157 G HN 0.607 nan 8.290 nan 0.000 0.534 158 F N -1.998 117.948 119.950 -0.007 0.000 2.779 158 F HA 0.408 4.935 4.527 -0.000 0.000 0.345 158 F C -0.108 175.666 175.800 -0.044 0.000 1.270 158 F CA -1.777 56.202 58.000 -0.035 0.000 1.074 158 F CB -1.133 37.826 39.000 -0.069 0.000 1.268 158 F HN 0.002 nan 8.300 nan 0.000 0.508 159 N N 1.637 120.240 118.700 -0.163 0.000 2.716 159 N HA -0.310 4.429 4.740 -0.000 0.000 0.250 159 N C -1.312 173.974 175.510 -0.372 0.000 1.033 159 N CA 0.919 53.841 53.050 -0.213 0.000 0.727 159 N CB -1.466 36.957 38.487 -0.107 0.000 0.950 159 N HN 0.766 nan 8.380 nan 0.000 0.541 160 Y N 0.184 119.958 120.300 -0.875 0.000 2.364 160 Y HA 0.538 5.088 4.550 -0.000 0.000 0.340 160 Y C 0.207 175.567 175.900 -0.899 0.000 0.975 160 Y CA -1.004 56.477 58.100 -1.033 0.000 1.089 160 Y CB 1.026 38.413 38.460 -1.788 0.000 1.192 160 Y HN 0.039 nan 8.280 nan 0.000 0.454 161 R N 5.653 125.498 120.500 -1.093 0.000 2.215 161 R HA 0.215 4.555 4.340 -0.000 0.000 0.336 161 R C -0.206 175.682 176.300 -0.687 0.000 0.996 161 R CA -0.285 55.395 56.100 -0.700 0.000 0.847 161 R CB 0.381 30.415 30.300 -0.443 0.000 1.127 161 R HN 0.721 nan 8.270 nan 0.000 0.465 162 F N 1.179 120.981 119.950 -0.247 0.000 2.558 162 F HA -0.013 4.514 4.527 -0.000 0.000 0.298 162 F C 0.845 176.640 175.800 -0.009 0.000 1.119 162 F CA 0.046 57.964 58.000 -0.136 0.000 1.451 162 F CB -0.039 38.923 39.000 -0.063 0.000 1.091 162 F HN 0.523 nan 8.300 nan 0.000 0.563 163 N N -0.001 118.780 118.700 0.135 0.000 2.721 163 N HA -0.210 4.530 4.740 -0.000 0.000 0.249 163 N C 1.148 176.818 175.510 0.268 0.000 1.072 163 N CA 0.864 54.043 53.050 0.215 0.000 0.710 163 N CB -1.478 37.036 38.487 0.045 0.000 0.993 163 N HN 0.157 nan 8.380 nan 0.000 0.547 164 S N -0.772 114.984 115.700 0.093 0.000 2.400 164 S HA -0.091 4.379 4.470 -0.000 0.000 0.232 164 S C 1.289 175.800 174.600 -0.149 0.000 1.025 164 S CA 0.905 59.060 58.200 -0.075 0.000 0.993 164 S CB -0.166 62.872 63.200 -0.271 0.000 0.808 164 S HN 0.442 nan 8.310 nan 0.000 0.478 165 F N -0.292 119.708 119.950 0.083 0.000 2.802 165 F HA 0.153 4.680 4.527 -0.000 0.000 0.300 165 F C 0.997 176.650 175.800 -0.245 0.000 1.168 165 F CA -0.063 57.885 58.000 -0.087 0.000 1.433 165 F CB -0.617 38.272 39.000 -0.184 0.000 1.115 165 F HN 0.231 nan 8.300 nan 0.000 0.582 166 Y N -0.562 119.822 120.300 0.141 0.000 2.458 166 Y HA 0.299 4.849 4.550 -0.000 0.000 0.256 166 Y C 0.595 176.536 175.900 0.068 0.000 1.159 166 Y CA -0.264 57.893 58.100 0.096 0.000 1.261 166 Y CB 0.212 38.712 38.460 0.067 0.000 1.119 166 Y HN -0.222 nan 8.280 nan 0.000 0.524 167 R N -0.654 119.943 120.500 0.161 0.000 2.771 167 R HA 0.249 4.589 4.340 -0.000 0.000 0.274 167 R C -0.265 176.076 176.300 0.069 0.000 0.987 167 R CA -0.636 55.532 56.100 0.113 0.000 0.908 167 R CB 1.565 31.932 30.300 0.112 0.000 1.213 167 R HN -0.001 nan 8.270 nan 0.000 0.468 168 D N 1.034 121.465 120.400 0.052 0.000 2.201 168 D HA -0.055 4.585 4.640 -0.000 0.000 0.209 168 D C 0.388 176.705 176.300 0.028 0.000 0.961 168 D CA 1.168 55.189 54.000 0.035 0.000 0.861 168 D CB 0.529 41.345 40.800 0.027 0.000 0.997 168 D HN 0.571 nan 8.370 nan 0.000 0.486 169 Q N 2.161 121.979 119.800 0.030 0.000 2.278 169 Q HA 0.458 4.798 4.340 -0.000 0.000 0.257 169 Q C -2.576 173.445 176.000 0.035 0.000 0.928 169 Q CA -1.944 53.872 55.803 0.023 0.000 0.932 169 Q CB 0.475 29.223 28.738 0.016 0.000 1.221 169 Q HN -0.049 nan 8.270 nan 0.000 0.434 170 P HA 0.046 nan 4.420 nan 0.000 0.270 170 P C -0.283 177.078 177.300 0.101 0.000 1.227 170 P CA -0.130 63.001 63.100 0.052 0.000 0.788 170 P CB 0.257 31.961 31.700 0.006 0.000 0.926 171 H N 2.521 121.628 119.070 0.061 0.000 3.038 171 H HA -0.032 4.524 4.556 -0.000 0.000 0.338 171 H C -1.328 174.062 175.328 0.103 0.000 1.041 171 H CA -0.414 55.715 56.048 0.134 0.000 1.394 171 H CB 0.166 30.097 29.762 0.282 0.000 1.357 171 H HN 0.334 nan 8.280 nan 0.000 0.600 172 P HA -0.247 nan 4.420 nan 0.000 0.216 172 P C 1.196 178.612 177.300 0.194 0.000 1.154 172 P CA 1.470 64.610 63.100 0.065 0.000 0.865 172 P CB -0.112 31.574 31.700 -0.024 0.000 0.789 173 F N -0.132 120.046 119.950 0.380 0.000 2.095 173 F HA -0.208 4.319 4.527 -0.000 0.000 0.298 173 F C 2.109 177.884 175.800 -0.042 0.000 1.104 173 F CA 1.533 59.640 58.000 0.179 0.000 1.232 173 F CB -0.754 38.396 39.000 0.249 0.000 0.987 173 F HN -0.224 nan 8.300 nan 0.000 0.475 174 I N -0.372 120.238 120.570 0.066 0.000 2.179 174 I HA -0.347 3.823 4.170 -0.000 0.000 0.242 174 I C 2.295 178.299 176.117 -0.188 0.000 1.088 174 I CA 1.848 63.043 61.300 -0.174 0.000 1.357 174 I CB -0.892 36.974 38.000 -0.224 0.000 1.051 174 I HN 0.166 nan 8.210 nan 0.000 0.409 175 T N -0.027 114.468 114.554 -0.098 0.000 2.665 175 T HA -0.214 4.136 4.350 -0.000 0.000 0.268 175 T C 2.128 176.732 174.700 -0.160 0.000 1.035 175 T CA 2.048 64.090 62.100 -0.097 0.000 1.151 175 T CB -0.250 68.588 68.868 -0.050 0.000 0.862 175 T HN 0.273 nan 8.240 nan 0.000 0.438 176 S N 0.555 116.125 115.700 -0.216 0.000 2.368 176 S HA 0.024 4.494 4.470 -0.000 0.000 0.224 176 S C 2.030 176.376 174.600 -0.425 0.000 1.029 176 S CA 1.110 59.138 58.200 -0.287 0.000 0.988 176 S CB -0.356 62.666 63.200 -0.297 0.000 0.838 176 S HN 0.432 nan 8.310 nan 0.000 0.462 177 M N 1.449 120.702 119.600 -0.578 0.000 2.067 177 M HA -0.120 4.360 4.480 -0.000 0.000 0.260 177 M C 2.236 178.299 176.300 -0.395 0.000 1.069 177 M CA 1.902 56.839 55.300 -0.606 0.000 1.117 177 M CB -0.328 31.888 32.600 -0.639 0.000 1.334 177 M HN 0.307 nan 8.290 nan 0.000 0.407 178 V N -0.795 118.959 119.914 -0.267 0.000 2.427 178 V HA -0.230 3.890 4.120 -0.000 0.000 0.248 178 V C 2.176 178.212 176.094 -0.096 0.000 1.051 178 V CA 2.272 64.497 62.300 -0.126 0.000 1.048 178 V CB -0.932 30.858 31.823 -0.056 0.000 0.666 178 V HN 0.615 nan 8.190 nan 0.000 0.456 179 R N 0.236 120.661 120.500 -0.125 0.000 2.092 179 R HA 0.021 4.361 4.340 -0.000 0.000 0.231 179 R C 2.354 178.614 176.300 -0.066 0.000 1.119 179 R CA 1.567 57.621 56.100 -0.076 0.000 0.970 179 R CB -0.647 29.609 30.300 -0.073 0.000 0.864 179 R HN 0.635 nan 8.270 nan 0.000 0.440 180 A N 0.991 123.698 122.820 -0.188 0.000 1.902 180 A HA -0.147 4.173 4.320 -0.000 0.000 0.217 180 A C 2.137 179.699 177.584 -0.036 0.000 1.181 180 A CA 1.056 52.975 52.037 -0.197 0.000 0.623 180 A CB -0.612 17.869 19.000 -0.866 0.000 0.818 180 A HN 0.393 nan 8.150 nan 0.000 0.443 181 L N -0.497 120.669 121.223 -0.095 0.000 2.017 181 L HA -0.226 4.114 4.340 -0.000 0.000 0.208 181 L C 2.433 179.404 176.870 0.168 0.000 1.073 181 L CA 2.405 57.383 54.840 0.230 0.000 0.745 181 L CB -0.481 41.704 42.059 0.210 0.000 0.894 181 L HN 0.544 nan 8.230 nan 0.000 0.432 182 D N -0.388 120.057 120.400 0.074 0.000 2.104 182 D HA -0.302 4.338 4.640 -0.000 0.000 0.194 182 D C 1.996 178.298 176.300 0.005 0.000 0.994 182 D CA 1.597 55.621 54.000 0.041 0.000 0.830 182 D CB 0.121 40.931 40.800 0.016 0.000 0.959 182 D HN 0.267 nan 8.370 nan 0.000 0.452 183 E N 0.033 120.226 120.200 -0.011 0.000 2.077 183 E HA -0.095 4.255 4.350 -0.000 0.000 0.193 183 E C 1.876 178.337 176.600 -0.233 0.000 0.989 183 E CA 1.561 57.884 56.400 -0.128 0.000 0.800 183 E CB -0.662 28.962 29.700 -0.126 0.000 0.746 183 E HN 0.296 nan 8.360 nan 0.000 0.452 184 A N 0.491 123.276 122.820 -0.059 0.000 1.908 184 A HA -0.182 4.138 4.320 -0.000 0.000 0.218 184 A C 2.167 179.732 177.584 -0.033 0.000 1.181 184 A CA 2.075 54.088 52.037 -0.040 0.000 0.627 184 A CB -0.491 18.699 19.000 0.317 0.000 0.818 184 A HN 0.307 nan 8.150 nan 0.000 0.445 185 M N 0.064 119.687 119.600 0.039 0.000 2.200 185 M HA -0.051 4.428 4.480 -0.000 0.000 0.265 185 M C 1.529 177.816 176.300 -0.022 0.000 1.066 185 M CA 1.000 56.329 55.300 0.048 0.000 1.127 185 M CB -1.658 30.982 32.600 0.068 0.000 1.379 185 M HN 0.380 nan 8.290 nan 0.000 0.420 186 N N 0.889 119.540 118.700 -0.081 0.000 2.223 186 N HA -0.117 4.623 4.740 -0.000 0.000 0.185 186 N C 1.550 176.940 175.510 -0.200 0.000 1.016 186 N CA 0.987 53.969 53.050 -0.113 0.000 0.863 186 N CB -0.270 38.152 38.487 -0.108 0.000 0.983 186 N HN 0.420 nan 8.380 nan 0.000 0.429 187 K N -0.053 120.142 120.400 -0.342 0.000 2.211 187 K HA -0.074 4.246 4.320 -0.000 0.000 0.204 187 K C 0.454 176.931 176.600 -0.204 0.000 1.047 187 K CA 0.243 56.226 56.287 -0.506 0.000 0.935 187 K CB -0.019 31.784 32.500 -1.162 0.000 0.728 187 K HN 0.009 nan 8.250 nan 0.000 0.452 199 D N 1.399 121.842 120.400 0.072 0.000 2.144 199 D HA -0.160 4.480 4.640 -0.000 0.000 0.199 199 D C 1.931 178.261 176.300 0.050 0.000 0.984 199 D CA 1.779 55.811 54.000 0.053 0.000 0.834 199 D CB 0.201 41.016 40.800 0.025 0.000 0.955 199 D HN 0.375 nan 8.370 nan 0.000 0.465 200 E N 0.965 121.188 120.200 0.037 0.000 2.072 200 E HA -0.073 4.277 4.350 -0.000 0.000 0.190 200 E C 1.632 178.265 176.600 0.055 0.000 0.982 200 E CA 0.866 57.288 56.400 0.036 0.000 0.803 200 E CB -0.169 29.542 29.700 0.018 0.000 0.755 200 E HN 0.272 nan 8.360 nan 0.000 0.453 201 N N 0.625 119.369 118.700 0.074 0.000 2.036 201 N HA -0.202 4.538 4.740 -0.000 0.000 0.195 201 N C 1.690 177.249 175.510 0.081 0.000 1.037 201 N CA 1.593 54.684 53.050 0.068 0.000 0.855 201 N CB -0.231 38.292 38.487 0.060 0.000 1.033 201 N HN 0.195 nan 8.380 nan 0.000 0.423 202 K N 0.896 121.343 120.400 0.078 0.000 2.032 202 K HA -0.131 4.189 4.320 -0.000 0.000 0.209 202 K C 2.711 179.394 176.600 0.138 0.000 1.048 202 K CA 1.698 58.051 56.287 0.111 0.000 0.927 202 K CB -0.266 32.284 32.500 0.084 0.000 0.712 202 K HN 0.255 nan 8.250 nan 0.000 0.441 203 R N 1.496 122.050 120.500 0.090 0.000 2.075 203 R HA -0.165 4.175 4.340 -0.000 0.000 0.232 203 R C 2.050 178.390 176.300 0.066 0.000 1.126 203 R CA 1.932 58.073 56.100 0.069 0.000 0.963 203 R CB -1.223 29.103 30.300 0.043 0.000 0.858 203 R HN 0.266 nan 8.270 nan 0.000 0.435 204 Q N -0.743 119.100 119.800 0.072 0.000 2.084 204 Q HA -0.064 4.276 4.340 -0.000 0.000 0.202 204 Q C 1.840 177.890 176.000 0.084 0.000 0.978 204 Q CA 2.090 57.927 55.803 0.057 0.000 0.844 204 Q CB -0.557 28.212 28.738 0.051 0.000 0.898 204 Q HN 0.637 nan 8.270 nan 0.000 0.426 205 F N 0.443 120.374 119.950 -0.032 0.000 2.134 205 F HA -0.191 4.336 4.527 -0.000 0.000 0.299 205 F C 1.950 177.738 175.800 -0.020 0.000 1.097 205 F CA 1.594 59.572 58.000 -0.037 0.000 1.264 205 F CB -0.150 38.837 39.000 -0.021 0.000 1.001 205 F HN 0.136 nan 8.300 nan 0.000 0.479 206 Q N 0.411 120.227 119.800 0.026 0.000 2.124 206 Q HA -0.236 4.104 4.340 -0.000 0.000 0.202 206 Q C 2.215 178.163 176.000 -0.086 0.000 0.977 206 Q CA 1.782 57.548 55.803 -0.061 0.000 0.850 206 Q CB -0.723 28.024 28.738 0.015 0.000 0.901 206 Q HN 0.693 nan 8.270 nan 0.000 0.429 207 E N 0.657 120.825 120.200 -0.052 0.000 2.106 207 E HA -0.181 4.169 4.350 -0.000 0.000 0.192 207 E C 0.957 177.493 176.600 -0.106 0.000 0.984 207 E CA 1.066 57.431 56.400 -0.059 0.000 0.806 207 E CB 0.162 29.842 29.700 -0.032 0.000 0.750 207 E HN 0.182 nan 8.360 nan 0.000 0.458 208 D N 0.574 120.882 120.400 -0.153 0.000 2.144 208 D HA -0.116 4.524 4.640 -0.000 0.000 0.200 208 D C 2.048 178.173 176.300 -0.292 0.000 0.978 208 D CA 0.842 54.705 54.000 -0.229 0.000 0.833 208 D CB -0.107 40.544 40.800 -0.249 0.000 0.961 208 D HN 0.325 nan 8.370 nan 0.000 0.470 209 I N 1.152 121.528 120.570 -0.324 0.000 2.226 209 I HA -0.281 3.889 4.170 -0.000 0.000 0.245 209 I C 2.812 178.849 176.117 -0.134 0.000 1.100 209 I CA 1.757 62.908 61.300 -0.249 0.000 1.374 209 I CB -0.244 37.600 38.000 -0.260 0.000 1.057 209 I HN 0.007 nan 8.210 nan 0.000 0.413 210 K N 0.366 120.702 120.400 -0.107 0.000 2.097 210 K HA -0.093 4.227 4.320 -0.000 0.000 0.206 210 K C 2.010 178.584 176.600 -0.043 0.000 1.049 210 K CA 1.787 58.039 56.287 -0.058 0.000 0.933 210 K CB -1.456 31.019 32.500 -0.041 0.000 0.717 210 K HN 0.201 nan 8.250 nan 0.000 0.442 211 V N 1.240 121.116 119.914 -0.064 0.000 2.343 211 V HA -0.309 3.811 4.120 -0.000 0.000 0.247 211 V C 2.678 178.790 176.094 0.029 0.000 1.051 211 V CA 2.290 64.577 62.300 -0.021 0.000 1.036 211 V CB -0.472 31.318 31.823 -0.055 0.000 0.654 211 V HN 0.573 nan 8.190 nan 0.000 0.451 212 M N -0.161 119.394 119.600 -0.075 0.000 2.086 212 M HA -0.155 4.325 4.480 -0.000 0.000 0.261 212 M C 2.197 178.578 176.300 0.135 0.000 1.067 212 M CA 1.831 57.150 55.300 0.032 0.000 1.116 212 M CB -0.642 31.836 32.600 -0.203 0.000 1.348 212 M HN 0.362 nan 8.290 nan 0.000 0.407 213 N N 0.749 119.459 118.700 0.016 0.000 2.084 213 N HA -0.149 4.591 4.740 -0.000 0.000 0.190 213 N C 1.233 176.731 175.510 -0.020 0.000 1.030 213 N CA 1.378 54.412 53.050 -0.027 0.000 0.849 213 N CB -0.643 37.813 38.487 -0.052 0.000 1.012 213 N HN 0.258 nan 8.380 nan 0.000 0.423 214 D N 0.517 120.919 120.400 0.003 0.000 2.104 214 D HA -0.132 4.508 4.640 -0.000 0.000 0.194 214 D C 2.030 178.339 176.300 0.014 0.000 0.994 214 D CA 0.543 54.546 54.000 0.006 0.000 0.830 214 D CB -0.378 40.434 40.800 0.018 0.000 0.959 214 D HN 0.165 nan 8.370 nan 0.000 0.452 215 L N 0.219 121.475 121.223 0.055 0.000 2.027 215 L HA -0.109 4.231 4.340 -0.000 0.000 0.206 215 L C 2.143 178.975 176.870 -0.063 0.000 1.074 215 L CA 1.288 56.142 54.840 0.022 0.000 0.745 215 L CB -0.367 41.747 42.059 0.091 0.000 0.898 215 L HN -0.113 nan 8.230 nan 0.000 0.433 216 V N 0.056 119.923 119.914 -0.080 0.000 2.358 216 V HA -0.242 3.878 4.120 -0.000 0.000 0.246 216 V C 2.253 178.261 176.094 -0.143 0.000 1.047 216 V CA 1.858 64.036 62.300 -0.203 0.000 1.035 216 V CB -0.868 30.788 31.823 -0.279 0.000 0.658 216 V HN 0.447 nan 8.190 nan 0.000 0.452 217 D N 0.000 120.337 120.400 -0.106 0.000 2.144 217 D HA -0.184 4.456 4.640 -0.000 0.000 0.199 217 D C 2.147 178.415 176.300 -0.053 0.000 0.984 217 D CA 1.344 55.292 54.000 -0.087 0.000 0.834 217 D CB -0.226 40.529 40.800 -0.076 0.000 0.955 217 D HN 0.424 nan 8.370 nan 0.000 0.465 218 K N 0.525 120.903 120.400 -0.036 0.000 2.057 218 K HA -0.114 4.206 4.320 -0.000 0.000 0.207 218 K C 1.957 178.553 176.600 -0.007 0.000 1.049 218 K CA 0.756 57.034 56.287 -0.014 0.000 0.931 218 K CB 0.035 32.535 32.500 0.001 0.000 0.714 218 K HN 0.008 nan 8.250 nan 0.000 0.440 219 I N 1.550 122.115 120.570 -0.009 0.000 2.286 219 I HA -0.245 3.925 4.170 -0.000 0.000 0.248 219 I C 2.334 178.467 176.117 0.026 0.000 1.115 219 I CA 1.196 62.514 61.300 0.030 0.000 1.392 219 I CB -0.766 37.296 38.000 0.104 0.000 1.065 219 I HN 0.236 nan 8.210 nan 0.000 0.418 220 I N 1.040 121.604 120.570 -0.010 0.000 2.179 220 I HA -0.269 3.901 4.170 -0.000 0.000 0.242 220 I C 2.775 178.887 176.117 -0.009 0.000 1.088 220 I CA 1.431 62.721 61.300 -0.017 0.000 1.357 220 I CB -0.394 37.575 38.000 -0.053 0.000 1.051 220 I HN 0.119 nan 8.210 nan 0.000 0.409 221 A N 0.408 123.220 122.820 -0.014 0.000 1.902 221 A HA -0.246 4.074 4.320 -0.000 0.000 0.217 221 A C 1.936 179.519 177.584 -0.001 0.000 1.181 221 A CA 2.117 54.149 52.037 -0.009 0.000 0.623 221 A CB -0.616 18.377 19.000 -0.010 0.000 0.818 221 A HN 0.355 nan 8.150 nan 0.000 0.443 222 D N -0.778 119.625 120.400 0.005 0.000 2.117 222 D HA -0.132 4.508 4.640 -0.000 0.000 0.197 222 D C 2.108 178.413 176.300 0.007 0.000 0.987 222 D CA 1.313 55.318 54.000 0.009 0.000 0.829 222 D CB -0.272 40.538 40.800 0.017 0.000 0.961 222 D HN 0.286 nan 8.370 nan 0.000 0.460 223 R N 1.103 121.609 120.500 0.011 0.000 2.081 223 R HA -0.021 4.319 4.340 -0.000 0.000 0.235 223 R C 2.020 178.322 176.300 0.004 0.000 1.131 223 R CA 1.279 57.384 56.100 0.009 0.000 0.960 223 R CB -0.056 30.253 30.300 0.015 0.000 0.856 223 R HN 0.105 nan 8.270 nan 0.000 0.436 224 K N -0.801 119.601 120.400 0.003 0.000 2.097 224 K HA -0.016 4.304 4.320 -0.000 0.000 0.205 224 K C 1.850 178.450 176.600 0.001 0.000 1.050 224 K CA 1.331 57.619 56.287 0.001 0.000 0.938 224 K CB -0.106 32.394 32.500 -0.001 0.000 0.718 224 K HN 0.195 nan 8.250 nan 0.000 0.442 225 A N 1.093 123.913 122.820 0.001 0.000 2.209 225 A HA -0.082 4.238 4.320 -0.000 0.000 0.212 225 A C 1.996 179.580 177.584 -0.000 0.000 1.158 225 A CA 1.556 53.593 52.037 0.000 0.000 0.742 225 A CB -0.289 18.711 19.000 0.000 0.000 0.790 225 A HN 0.364 nan 8.150 nan 0.000 0.472 226 S N -3.011 112.689 115.700 -0.001 0.000 2.527 226 S HA 0.404 4.874 4.470 -0.000 0.000 0.227 226 S C 1.541 176.139 174.600 -0.003 0.000 1.059 226 S CA 1.135 59.334 58.200 -0.002 0.000 0.919 226 S CB -0.179 63.019 63.200 -0.004 0.000 0.805 226 S HN 1.759 nan 8.310 nan 0.000 0.500 227 G N 1.522 110.321 108.800 -0.002 0.000 2.159 227 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.256 227 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.256 227 G C -0.161 174.736 174.900 -0.004 0.000 0.977 227 G CA 0.364 45.463 45.100 -0.001 0.000 0.652 227 G HN 0.745 nan 8.290 nan 0.000 0.531 228 E N 0.438 120.634 120.200 -0.006 0.000 2.452 228 E HA 0.219 4.568 4.350 -0.000 0.000 0.261 228 E C -0.105 176.489 176.600 -0.011 0.000 0.987 228 E CA 0.208 56.602 56.400 -0.010 0.000 0.926 228 E CB 0.238 29.930 29.700 -0.013 0.000 0.934 228 E HN 0.248 nan 8.360 nan 0.000 0.452 229 Q N 2.393 122.185 119.800 -0.014 0.000 2.348 229 Q HA 0.335 4.675 4.340 -0.000 0.000 0.265 229 Q C -0.944 175.040 176.000 -0.026 0.000 0.998 229 Q CA -0.367 55.426 55.803 -0.016 0.000 0.831 229 Q CB 2.031 30.763 28.738 -0.009 0.000 1.251 229 Q HN 0.383 nan 8.270 nan 0.000 0.456 230 S N 0.804 116.478 115.700 -0.042 0.000 2.806 230 S HA 0.389 4.859 4.470 -0.000 0.000 0.315 230 S C -0.069 174.486 174.600 -0.075 0.000 1.127 230 S CA -0.642 57.530 58.200 -0.048 0.000 0.918 230 S CB 0.910 64.084 63.200 -0.043 0.000 1.240 230 S HN 0.430 nan 8.310 nan 0.000 0.552 231 D N 1.854 122.221 120.400 -0.055 0.000 2.395 231 D HA 0.151 4.791 4.640 -0.000 0.000 0.226 231 D C -0.322 175.966 176.300 -0.019 0.000 1.146 231 D CA 0.098 54.067 54.000 -0.053 0.000 0.830 231 D CB -0.152 40.643 40.800 -0.008 0.000 0.958 231 D HN 0.490 nan 8.370 nan 0.000 0.501 232 D N -1.055 119.292 120.400 -0.089 0.000 2.385 232 D HA 0.111 4.751 4.640 -0.000 0.000 0.254 232 D C 1.457 177.644 176.300 -0.187 0.000 1.053 232 D CA -0.737 53.257 54.000 -0.009 0.000 0.992 232 D CB 1.096 41.903 40.800 0.012 0.000 1.145 232 D HN -0.117 nan 8.370 nan 0.000 0.523 233 L N -0.364 120.838 121.223 -0.035 0.000 2.131 233 L HA -0.124 4.216 4.340 -0.000 0.000 0.210 233 L C 2.295 179.197 176.870 0.055 0.000 1.092 233 L CA 0.593 55.440 54.840 0.011 0.000 0.759 233 L CB -0.486 41.553 42.059 -0.034 0.000 0.903 233 L HN 0.361 nan 8.230 nan 0.000 0.435 234 L N -0.535 120.730 121.223 0.071 0.000 2.042 234 L HA -0.215 4.125 4.340 -0.000 0.000 0.210 234 L C 2.409 179.288 176.870 0.015 0.000 1.076 234 L CA 2.139 57.020 54.840 0.069 0.000 0.749 234 L CB -0.950 41.169 42.059 0.100 0.000 0.893 234 L HN 0.153 nan 8.230 nan 0.000 0.432 235 T N -1.059 113.455 114.554 -0.068 0.000 2.652 235 T HA -0.233 4.117 4.350 -0.000 0.000 0.267 235 T C 1.650 176.359 174.700 0.014 0.000 1.039 235 T CA 1.950 64.011 62.100 -0.065 0.000 1.153 235 T CB -0.560 68.228 68.868 -0.133 0.000 0.863 235 T HN 0.618 nan 8.240 nan 0.000 0.428 236 H N 0.554 119.646 119.070 0.038 0.000 2.319 236 H HA -0.045 4.511 4.556 -0.000 0.000 0.297 236 H C 2.401 177.749 175.328 0.032 0.000 1.097 236 H CA 1.418 57.480 56.048 0.024 0.000 1.285 236 H CB -0.194 29.577 29.762 0.015 0.000 1.368 236 H HN 0.278 nan 8.280 nan 0.000 0.495 237 M N 0.167 119.869 119.600 0.169 0.000 2.254 237 M HA -0.104 4.376 4.480 -0.000 0.000 0.265 237 M C 2.072 178.414 176.300 0.071 0.000 1.066 237 M CA 1.047 56.416 55.300 0.115 0.000 1.123 237 M CB 0.011 32.679 32.600 0.113 0.000 1.388 237 M HN 0.239 nan 8.290 nan 0.000 0.425 238 L N 0.111 121.369 121.223 0.058 0.000 2.093 238 L HA -0.181 4.159 4.340 -0.000 0.000 0.208 238 L C 1.626 178.519 176.870 0.039 0.000 1.085 238 L CA 0.844 55.706 54.840 0.036 0.000 0.755 238 L CB -0.528 41.545 42.059 0.024 0.000 0.904 238 L HN 0.357 nan 8.230 nan 0.000 0.435 239 N N -0.343 118.388 118.700 0.052 0.000 2.299 239 N HA 0.067 4.807 4.740 -0.000 0.000 0.187 239 N C 0.696 176.232 175.510 0.042 0.000 1.099 239 N CA 0.312 53.389 53.050 0.045 0.000 0.867 239 N CB 0.309 38.829 38.487 0.055 0.000 0.974 239 N HN 0.156 nan 8.380 nan 0.000 0.477 240 G N 0.209 109.039 108.800 0.049 0.000 2.448 240 G HA2 0.506 4.466 3.960 -0.000 0.000 0.285 240 G HA3 0.506 4.466 3.960 -0.000 0.000 0.285 240 G C -0.503 174.411 174.900 0.023 0.000 1.176 240 G CA -0.235 44.885 45.100 0.033 0.000 0.852 240 G HN -0.018 nan 8.290 nan 0.000 0.530 241 K N 0.310 120.718 120.400 0.013 0.000 2.443 241 K HA 0.218 4.538 4.320 -0.000 0.000 0.252 241 K C -1.212 175.391 176.600 0.006 0.000 0.933 241 K CA -0.792 55.502 56.287 0.012 0.000 0.792 241 K CB 2.316 34.823 32.500 0.011 0.000 1.185 241 K HN 0.546 nan 8.250 nan 0.000 0.425 242 D N 3.703 124.107 120.400 0.007 0.000 2.434 242 D HA 0.036 4.676 4.640 -0.000 0.000 0.252 242 D C -1.684 174.621 176.300 0.008 0.000 1.185 242 D CA -1.756 52.246 54.000 0.004 0.000 0.886 242 D CB 1.159 41.963 40.800 0.008 0.000 1.148 242 D HN 0.160 nan 8.370 nan 0.000 0.483 243 P HA -0.128 nan 4.420 nan 0.000 0.219 243 P C 0.950 178.261 177.300 0.018 0.000 1.146 243 P CA 0.873 63.979 63.100 0.010 0.000 0.808 243 P CB 0.256 31.961 31.700 0.008 0.000 0.779 244 E N -0.206 120.008 120.200 0.023 0.000 2.011 244 E HA -0.121 4.229 4.350 -0.000 0.000 0.191 244 E C 1.680 178.298 176.600 0.030 0.000 0.980 244 E CA 2.000 58.419 56.400 0.032 0.000 0.814 244 E CB -0.478 29.248 29.700 0.043 0.000 0.775 244 E HN 0.187 nan 8.360 nan 0.000 0.454 245 T N -3.057 111.515 114.554 0.031 0.000 3.055 245 T HA 0.186 4.536 4.350 -0.000 0.000 0.265 245 T C 1.534 176.249 174.700 0.024 0.000 1.111 245 T CA 0.854 62.972 62.100 0.030 0.000 1.118 245 T CB 0.169 69.058 68.868 0.034 0.000 0.909 245 T HN 0.498 nan 8.240 nan 0.000 0.501 246 G N 1.186 109.998 108.800 0.021 0.000 2.179 246 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.260 246 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.260 246 G C -0.171 174.739 174.900 0.017 0.000 0.977 246 G CA 0.245 45.355 45.100 0.017 0.000 0.641 246 G HN 0.678 nan 8.290 nan 0.000 0.533 247 E N 1.548 121.760 120.200 0.020 0.000 2.283 247 E HA 0.521 4.871 4.350 -0.000 0.000 0.267 247 E C -2.277 174.335 176.600 0.019 0.000 1.045 247 E CA -1.769 54.644 56.400 0.020 0.000 0.884 247 E CB 1.737 31.452 29.700 0.024 0.000 1.106 247 E HN 0.279 nan 8.360 nan 0.000 0.408 248 P HA 0.212 nan 4.420 nan 0.000 0.285 248 P C -0.579 176.735 177.300 0.023 0.000 1.285 248 P CA -0.583 62.530 63.100 0.021 0.000 0.854 248 P CB 0.937 32.650 31.700 0.020 0.000 1.180 249 L N 1.290 122.528 121.223 0.026 0.000 2.439 249 L HA 0.152 4.492 4.340 -0.000 0.000 0.269 249 L C 1.110 177.993 176.870 0.021 0.000 1.179 249 L CA -0.127 54.730 54.840 0.027 0.000 0.828 249 L CB -0.098 41.979 42.059 0.030 0.000 1.106 249 L HN 0.499 nan 8.230 nan 0.000 0.467 250 D N 0.088 120.501 120.400 0.022 0.000 2.387 250 D HA 0.045 4.685 4.640 -0.000 0.000 0.251 250 D C 0.370 176.667 176.300 -0.005 0.000 1.141 250 D CA -0.567 53.440 54.000 0.012 0.000 0.987 250 D CB 0.693 41.504 40.800 0.018 0.000 1.116 250 D HN 0.345 nan 8.370 nan 0.000 0.491 251 D N -0.431 119.958 120.400 -0.018 0.000 2.133 251 D HA -0.201 4.439 4.640 -0.000 0.000 0.195 251 D C 1.482 177.733 176.300 -0.083 0.000 0.997 251 D CA 1.278 55.252 54.000 -0.045 0.000 0.840 251 D CB -0.075 40.700 40.800 -0.041 0.000 0.947 251 D HN 0.735 nan 8.370 nan 0.000 0.452 252 E N 0.343 120.497 120.200 -0.077 0.000 2.047 252 E HA -0.176 4.174 4.350 -0.000 0.000 0.191 252 E C 1.944 178.447 176.600 -0.162 0.000 0.987 252 E CA 0.641 56.951 56.400 -0.150 0.000 0.799 252 E CB -0.041 29.618 29.700 -0.068 0.000 0.752 252 E HN 0.180 nan 8.360 nan 0.000 0.449 253 N N 0.635 119.337 118.700 0.004 0.000 2.166 253 N HA -0.165 4.575 4.740 -0.000 0.000 0.186 253 N C 2.105 177.615 175.510 0.000 0.000 1.019 253 N CA 1.076 54.180 53.050 0.091 0.000 0.856 253 N CB -0.099 38.442 38.487 0.090 0.000 0.993 253 N HN 0.231 nan 8.380 nan 0.000 0.426 254 I N 1.176 121.715 120.570 -0.052 0.000 2.226 254 I HA -0.261 3.909 4.170 -0.000 0.000 0.245 254 I C 2.805 178.819 176.117 -0.173 0.000 1.100 254 I CA 0.814 62.063 61.300 -0.085 0.000 1.374 254 I CB -0.363 37.602 38.000 -0.058 0.000 1.057 254 I HN 0.201 nan 8.210 nan 0.000 0.413 255 R N 0.890 121.254 120.500 -0.227 0.000 2.073 255 R HA -0.223 4.117 4.340 -0.000 0.000 0.234 255 R C 2.395 178.524 176.300 -0.285 0.000 1.134 255 R CA 1.947 57.862 56.100 -0.308 0.000 0.952 255 R CB -0.640 29.444 30.300 -0.360 0.000 0.850 255 R HN 0.237 nan 8.270 nan 0.000 0.433 256 Y N 1.702 121.933 120.300 -0.116 0.000 2.165 256 Y HA -0.210 4.340 4.550 -0.000 0.000 0.286 256 Y C 2.758 178.538 175.900 -0.201 0.000 1.155 256 Y CA 1.455 59.490 58.100 -0.107 0.000 1.164 256 Y CB -0.509 37.915 38.460 -0.060 0.000 0.978 256 Y HN 0.171 nan 8.280 nan 0.000 0.513 257 Q N -0.183 119.529 119.800 -0.146 0.000 2.119 257 Q HA -0.134 4.206 4.340 -0.000 0.000 0.201 257 Q C 2.494 177.893 176.000 -1.003 0.000 0.972 257 Q CA 1.389 56.899 55.803 -0.488 0.000 0.847 257 Q CB -0.604 27.878 28.738 -0.427 0.000 0.903 257 Q HN 0.549 nan 8.270 nan 0.000 0.433 258 I N 0.586 120.740 120.570 -0.694 0.000 2.179 258 I HA -0.274 3.896 4.170 -0.000 0.000 0.242 258 I C 2.320 178.221 176.117 -0.359 0.000 1.088 258 I CA 1.010 61.933 61.300 -0.627 0.000 1.357 258 I CB -0.307 37.330 38.000 -0.605 0.000 1.051 258 I HN 0.095 nan 8.210 nan 0.000 0.409 259 I N 0.269 120.730 120.570 -0.181 0.000 2.208 259 I HA -0.308 3.862 4.170 -0.000 0.000 0.245 259 I C 2.531 178.692 176.117 0.073 0.000 1.097 259 I CA 1.591 62.931 61.300 0.068 0.000 1.363 259 I CB -0.587 37.523 38.000 0.184 0.000 1.051 259 I HN 0.254 nan 8.210 nan 0.000 0.413 260 T N 0.954 115.492 114.554 -0.027 0.000 2.708 260 T HA -0.149 4.201 4.350 -0.000 0.000 0.266 260 T C 1.625 176.346 174.700 0.037 0.000 1.037 260 T CA 1.435 63.538 62.100 0.005 0.000 1.146 260 T CB -0.315 68.540 68.868 -0.023 0.000 0.865 260 T HN 0.106 nan 8.240 nan 0.000 0.435 261 F N 1.238 121.195 119.950 0.011 0.000 2.126 261 F HA 0.005 4.532 4.527 -0.000 0.000 0.299 261 F C 2.138 177.933 175.800 -0.009 0.000 1.096 261 F CA 0.289 58.269 58.000 -0.034 0.000 1.255 261 F CB -1.329 37.660 39.000 -0.019 0.000 0.997 261 F HN 0.135 nan 8.300 nan 0.000 0.479 262 L N -0.893 120.468 121.223 0.230 0.000 2.072 262 L HA -0.179 4.161 4.340 -0.000 0.000 0.205 262 L C 2.503 179.486 176.870 0.188 0.000 1.079 262 L CA 0.530 55.491 54.840 0.203 0.000 0.752 262 L CB -0.520 41.674 42.059 0.225 0.000 0.906 262 L HN 0.025 nan 8.230 nan 0.000 0.436 263 I N 0.322 120.995 120.570 0.171 0.000 2.142 263 I HA -0.269 3.901 4.170 -0.000 0.000 0.240 263 I C 2.747 178.942 176.117 0.131 0.000 1.078 263 I CA 1.828 63.264 61.300 0.227 0.000 1.343 263 I CB -1.371 36.772 38.000 0.238 0.000 1.046 263 I HN 0.197 nan 8.210 nan 0.000 0.405 264 A N 0.196 122.942 122.820 -0.123 0.000 1.968 264 A HA 0.042 4.362 4.320 -0.000 0.000 0.217 264 A C 2.377 179.852 177.584 -0.182 0.000 1.169 264 A CA 1.578 53.347 52.037 -0.447 0.000 0.638 264 A CB -0.961 17.599 19.000 -0.734 0.000 0.812 264 A HN 0.452 nan 8.150 nan 0.000 0.446 265 G N -1.013 107.776 108.800 -0.019 0.000 2.656 265 G HA2 0.093 4.053 3.960 -0.000 0.000 0.211 265 G HA3 0.093 4.053 3.960 -0.000 0.000 0.211 265 G C 1.227 176.194 174.900 0.112 0.000 1.137 265 G CA 0.877 45.993 45.100 0.027 0.000 0.802 265 G HN 0.876 nan 8.290 nan 0.000 0.527 266 H N -0.206 118.895 119.070 0.051 0.000 2.270 266 H HA 0.175 4.731 4.556 0.000 0.000 0.299 266 H C 2.113 177.485 175.328 0.074 0.000 1.077 266 H CA 1.600 57.694 56.048 0.077 0.000 1.294 266 H CB -0.160 29.646 29.762 0.074 0.000 1.371 266 H HN 0.336 nan 8.280 nan 0.000 0.491 267 E N -0.077 119.750 120.200 -0.622 0.000 2.190 267 E HA -0.075 4.275 4.350 -0.000 0.000 0.191 267 E C 2.350 178.875 176.600 -0.125 0.000 0.978 267 E CA 1.040 57.190 56.400 -0.418 0.000 0.839 267 E CB 0.211 29.616 29.700 -0.492 0.000 0.787 267 E HN 0.759 nan 8.360 nan 0.000 0.473 268 T N -0.806 113.703 114.554 -0.074 0.000 2.652 268 T HA -0.172 4.178 4.350 -0.000 0.000 0.267 268 T C 2.078 176.822 174.700 0.075 0.000 1.039 268 T CA 1.836 63.953 62.100 0.029 0.000 1.153 268 T CB -0.802 68.079 68.868 0.021 0.000 0.863 268 T HN -0.026 nan 8.240 nan 0.000 0.428 269 T N 2.459 117.057 114.554 0.073 0.000 2.777 269 T HA -0.075 4.275 4.350 -0.000 0.000 0.266 269 T C 2.571 177.341 174.700 0.117 0.000 1.040 269 T CA 1.576 63.748 62.100 0.121 0.000 1.141 269 T CB -0.594 68.371 68.868 0.160 0.000 0.868 269 T HN 0.733 nan 8.240 nan 0.000 0.444 270 S N 1.558 117.307 115.700 0.082 0.000 2.383 270 S HA 0.010 4.480 4.470 -0.000 0.000 0.227 270 S C 2.446 177.086 174.600 0.066 0.000 1.026 270 S CA 1.078 59.325 58.200 0.078 0.000 0.981 270 S CB -1.176 62.057 63.200 0.055 0.000 0.818 270 S HN 0.504 nan 8.310 nan 0.000 0.472 271 G N 2.051 110.883 108.800 0.054 0.000 2.442 271 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.219 271 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.219 271 G C 1.380 176.411 174.900 0.218 0.000 1.141 271 G CA 1.087 46.227 45.100 0.067 0.000 0.763 271 G HN 0.495 nan 8.290 nan 0.000 0.554 272 L N 0.388 121.759 121.223 0.247 0.000 2.005 272 L HA 0.141 4.481 4.340 -0.000 0.000 0.207 272 L C 2.668 179.697 176.870 0.266 0.000 1.072 272 L CA 1.410 56.431 54.840 0.302 0.000 0.744 272 L CB -0.691 41.501 42.059 0.221 0.000 0.895 272 L HN 0.199 nan 8.230 nan 0.000 0.433 273 L N -0.735 120.601 121.223 0.188 0.000 2.042 273 L HA -0.235 4.104 4.340 -0.000 0.000 0.210 273 L C 2.516 179.488 176.870 0.171 0.000 1.076 273 L CA 1.593 56.534 54.840 0.169 0.000 0.749 273 L CB -0.686 41.458 42.059 0.142 0.000 0.893 273 L HN 0.292 nan 8.230 nan 0.000 0.432 274 S N -0.649 115.125 115.700 0.122 0.000 2.356 274 S HA -0.129 4.341 4.470 -0.000 0.000 0.223 274 S C 1.771 176.395 174.600 0.040 0.000 1.032 274 S CA 1.266 59.519 58.200 0.089 0.000 1.005 274 S CB -0.369 62.786 63.200 -0.074 0.000 0.867 274 S HN 0.211 nan 8.310 nan 0.000 0.449 275 F N 1.994 121.995 119.950 0.085 0.000 2.134 275 F HA -0.045 4.482 4.527 -0.000 0.000 0.299 275 F C 2.551 178.468 175.800 0.195 0.000 1.097 275 F CA 0.641 58.682 58.000 0.070 0.000 1.264 275 F CB -0.986 38.150 39.000 0.228 0.000 1.001 275 F HN 0.168 nan 8.300 nan 0.000 0.479 276 A N -0.129 122.935 122.820 0.408 0.000 1.877 276 A HA -0.185 4.135 4.320 -0.000 0.000 0.216 276 A C 2.141 179.831 177.584 0.176 0.000 1.186 276 A CA 1.664 53.897 52.037 0.326 0.000 0.620 276 A CB -1.194 17.961 19.000 0.258 0.000 0.822 276 A HN 0.333 nan 8.150 nan 0.000 0.443 277 L N -1.449 119.862 121.223 0.147 0.000 2.083 277 L HA -0.164 4.176 4.340 -0.000 0.000 0.209 277 L C 2.322 179.246 176.870 0.090 0.000 1.083 277 L CA 2.413 57.305 54.840 0.088 0.000 0.752 277 L CB -0.856 41.267 42.059 0.105 0.000 0.899 277 L HN 0.565 nan 8.230 nan 0.000 0.433 278 Y N -0.690 119.475 120.300 -0.225 0.000 2.097 278 Y HA -0.315 4.235 4.550 0.000 0.000 0.282 278 Y C 2.107 177.736 175.900 -0.452 0.000 1.152 278 Y CA 2.068 59.722 58.100 -0.743 0.000 1.136 278 Y CB -0.660 37.120 38.460 -1.134 0.000 0.975 278 Y HN 0.187 nan 8.280 nan 0.000 0.498 279 F N 0.071 119.798 119.950 -0.372 0.000 2.171 279 F HA -0.188 4.339 4.527 0.000 0.000 0.300 279 F C 2.199 177.620 175.800 -0.632 0.000 1.090 279 F CA 1.399 58.943 58.000 -0.760 0.000 1.293 279 F CB -0.726 37.369 39.000 -1.508 0.000 1.013 279 F HN 0.070 nan 8.300 nan 0.000 0.486 280 L N -0.209 120.902 121.223 -0.186 0.000 2.046 280 L HA -0.164 4.176 4.340 -0.000 0.000 0.208 280 L C 2.495 179.346 176.870 -0.031 0.000 1.077 280 L CA 1.294 56.115 54.840 -0.032 0.000 0.747 280 L CB -1.015 41.083 42.059 0.065 0.000 0.896 280 L HN 0.154 nan 8.230 nan 0.000 0.432 281 V N -3.563 116.314 119.914 -0.062 0.000 2.970 281 V HA -0.074 4.046 4.120 -0.000 0.000 0.260 281 V C 2.154 178.193 176.094 -0.092 0.000 1.100 281 V CA 1.122 63.417 62.300 -0.008 0.000 1.122 281 V CB -0.554 31.329 31.823 0.101 0.000 0.721 281 V HN 0.288 nan 8.190 nan 0.000 0.483 282 K N 1.133 121.385 120.400 -0.247 0.000 2.400 282 K HA 0.201 4.521 4.320 -0.000 0.000 0.194 282 K C 0.321 176.866 176.600 -0.091 0.000 1.033 282 K CA 0.281 56.433 56.287 -0.224 0.000 1.021 282 K CB -0.191 32.055 32.500 -0.423 0.000 0.808 282 K HN 0.576 nan 8.250 nan 0.000 0.505 283 N N 1.374 120.045 118.700 -0.047 0.000 2.841 283 N HA 0.147 4.887 4.740 -0.000 0.000 0.257 283 N C -2.386 173.160 175.510 0.059 0.000 1.396 283 N CA -1.157 51.924 53.050 0.051 0.000 0.823 283 N CB 1.769 40.362 38.487 0.177 0.000 1.162 283 N HN -0.171 nan 8.380 nan 0.000 0.503 284 P HA -0.123 nan 4.420 nan 0.000 0.219 284 P C 1.095 178.415 177.300 0.032 0.000 1.146 284 P CA 1.260 64.344 63.100 -0.025 0.000 0.808 284 P CB 0.291 31.921 31.700 -0.117 0.000 0.779 285 H N -1.188 117.945 119.070 0.105 0.000 2.428 285 H HA 0.011 4.567 4.556 0.000 0.000 0.296 285 H C 1.968 177.372 175.328 0.128 0.000 1.062 285 H CA 0.878 56.983 56.048 0.096 0.000 1.350 285 H CB -0.895 28.917 29.762 0.084 0.000 1.403 285 H HN -0.019 nan 8.280 nan 0.000 0.533 286 V N 1.228 121.327 119.914 0.308 0.000 2.379 286 V HA -0.182 3.938 4.120 -0.000 0.000 0.245 286 V C 2.756 179.057 176.094 0.344 0.000 1.044 286 V CA 1.145 63.665 62.300 0.368 0.000 1.036 286 V CB -0.666 31.432 31.823 0.458 0.000 0.664 286 V HN 0.233 nan 8.190 nan 0.000 0.453 287 L N -0.250 121.129 121.223 0.260 0.000 2.042 287 L HA -0.283 4.057 4.340 -0.000 0.000 0.210 287 L C 2.675 179.667 176.870 0.204 0.000 1.076 287 L CA 2.137 57.113 54.840 0.226 0.000 0.749 287 L CB -0.285 41.884 42.059 0.183 0.000 0.893 287 L HN 0.417 nan 8.230 nan 0.000 0.432 288 Q N 0.022 119.924 119.800 0.170 0.000 2.050 288 Q HA -0.321 4.019 4.340 -0.000 0.000 0.202 288 Q C 2.275 178.328 176.000 0.089 0.000 0.980 288 Q CA 2.273 58.153 55.803 0.129 0.000 0.840 288 Q CB -0.090 28.724 28.738 0.127 0.000 0.898 288 Q HN 0.432 nan 8.270 nan 0.000 0.424 289 K N -0.395 120.040 120.400 0.060 0.000 2.057 289 K HA -0.162 4.158 4.320 -0.000 0.000 0.207 289 K C 1.905 178.479 176.600 -0.043 0.000 1.049 289 K CA 1.289 57.517 56.287 -0.099 0.000 0.931 289 K CB -0.240 32.068 32.500 -0.321 0.000 0.714 289 K HN 0.274 nan 8.250 nan 0.000 0.440 290 A N 0.874 123.815 122.820 0.201 0.000 1.898 290 A HA -0.048 4.272 4.320 -0.000 0.000 0.216 290 A C 2.333 180.034 177.584 0.195 0.000 1.181 290 A CA 1.730 53.969 52.037 0.336 0.000 0.620 290 A CB -0.855 18.385 19.000 0.400 0.000 0.819 290 A HN 0.474 nan 8.150 nan 0.000 0.442 291 A N -0.240 122.680 122.820 0.168 0.000 1.972 291 A HA -0.153 4.167 4.320 -0.000 0.000 0.219 291 A C 1.880 179.510 177.584 0.077 0.000 1.169 291 A CA 1.605 53.722 52.037 0.133 0.000 0.635 291 A CB -0.482 18.603 19.000 0.142 0.000 0.810 291 A HN 0.651 nan 8.150 nan 0.000 0.446 292 E N -0.630 119.603 120.200 0.055 0.000 2.077 292 E HA -0.217 4.133 4.350 -0.000 0.000 0.193 292 E C 2.063 178.674 176.600 0.018 0.000 0.989 292 E CA 1.226 57.638 56.400 0.020 0.000 0.800 292 E CB -0.126 29.570 29.700 -0.007 0.000 0.746 292 E HN 0.835 nan 8.360 nan 0.000 0.452 293 E N 0.725 120.946 120.200 0.034 0.000 2.072 293 E HA -0.192 4.158 4.350 -0.000 0.000 0.191 293 E C 2.064 178.693 176.600 0.048 0.000 0.985 293 E CA 0.945 57.373 56.400 0.046 0.000 0.801 293 E CB -0.056 29.697 29.700 0.089 0.000 0.750 293 E HN 0.199 nan 8.360 nan 0.000 0.452 294 A N 1.330 124.188 122.820 0.063 0.000 1.908 294 A HA -0.124 4.196 4.320 -0.000 0.000 0.218 294 A C 2.412 179.999 177.584 0.006 0.000 1.181 294 A CA 1.941 54.006 52.037 0.046 0.000 0.627 294 A CB -0.808 18.233 19.000 0.069 0.000 0.818 294 A HN 0.431 nan 8.150 nan 0.000 0.445 295 A N -0.422 122.397 122.820 -0.002 0.000 1.898 295 A HA -0.146 4.174 4.320 -0.000 0.000 0.216 295 A C 2.255 179.828 177.584 -0.017 0.000 1.181 295 A CA 1.718 53.739 52.037 -0.027 0.000 0.620 295 A CB -0.458 18.529 19.000 -0.023 0.000 0.819 295 A HN 0.566 nan 8.150 nan 0.000 0.442 296 R N -0.633 119.865 120.500 -0.004 0.000 2.115 296 R HA -0.035 4.305 4.340 -0.000 0.000 0.226 296 R C 1.651 177.950 176.300 -0.000 0.000 1.100 296 R CA 1.603 57.701 56.100 -0.003 0.000 0.980 296 R CB -0.162 30.138 30.300 -0.000 0.000 0.875 296 R HN 0.314 nan 8.270 nan 0.000 0.445 297 V N 0.903 120.820 119.914 0.005 0.000 2.426 297 V HA -0.010 4.110 4.120 -0.000 0.000 0.242 297 V C 1.227 177.324 176.094 0.004 0.000 1.036 297 V CA 0.775 63.079 62.300 0.007 0.000 1.044 297 V CB 0.001 31.833 31.823 0.014 0.000 0.688 297 V HN 0.211 nan 8.190 nan 0.000 0.462 298 L N 2.328 123.551 121.223 0.000 0.000 2.391 298 L HA 0.120 4.460 4.340 -0.000 0.000 0.249 298 L C 1.205 178.068 176.870 -0.011 0.000 1.308 298 L CA -0.091 54.750 54.840 0.001 0.000 1.209 298 L CB 0.342 42.400 42.059 -0.002 0.000 1.401 298 L HN 0.298 nan 8.230 nan 0.000 0.416 299 V N -3.609 116.304 119.914 -0.001 0.000 3.541 299 V HA 0.127 4.247 4.120 -0.000 0.000 0.267 299 V C 0.662 176.760 176.094 0.005 0.000 1.213 299 V CA 0.308 62.605 62.300 -0.004 0.000 1.149 299 V CB -0.335 31.488 31.823 -0.001 0.000 0.822 299 V HN 0.408 nan 8.190 nan 0.000 0.462 300 D N 0.945 121.356 120.400 0.019 0.000 2.437 300 D HA 0.380 5.020 4.640 -0.000 0.000 0.259 300 D C -1.719 174.605 176.300 0.040 0.000 1.118 300 D CA -2.004 52.014 54.000 0.029 0.000 1.017 300 D CB 1.179 42.002 40.800 0.039 0.000 1.120 300 D HN -0.006 nan 8.370 nan 0.000 0.541 301 P HA -0.072 nan 4.420 nan 0.000 0.215 301 P C 0.160 177.507 177.300 0.078 0.000 1.153 301 P CA 0.850 63.983 63.100 0.055 0.000 0.853 301 P CB 0.452 32.174 31.700 0.037 0.000 0.788 302 V N -1.012 118.946 119.914 0.072 0.000 2.876 302 V HA 0.405 4.525 4.120 -0.000 0.000 0.312 302 V C -2.490 173.669 176.094 0.108 0.000 1.085 302 V CA -2.394 59.957 62.300 0.084 0.000 0.945 302 V CB 2.239 34.097 31.823 0.058 0.000 1.017 302 V HN -0.161 nan 8.190 nan 0.000 0.428 303 P HA 0.270 nan 4.420 nan 0.000 0.275 303 P C -0.766 176.691 177.300 0.261 0.000 1.228 303 P CA -0.064 63.131 63.100 0.158 0.000 0.786 303 P CB 0.595 32.382 31.700 0.145 0.000 0.927 304 S N 1.698 117.480 115.700 0.137 0.000 2.672 304 S HA 0.187 4.657 4.470 -0.000 0.000 0.276 304 S C 0.934 175.409 174.600 -0.208 0.000 1.207 304 S CA -0.394 57.829 58.200 0.040 0.000 1.002 304 S CB 0.269 63.483 63.200 0.023 0.000 0.998 304 S HN 0.497 nan 8.310 nan 0.000 0.542 305 Y N 1.688 121.585 120.300 -0.672 0.000 2.128 305 Y HA -0.145 4.405 4.550 0.000 0.000 0.284 305 Y C 2.206 178.027 175.900 -0.132 0.000 1.154 305 Y CA 2.070 59.835 58.100 -0.557 0.000 1.149 305 Y CB -0.354 37.849 38.460 -0.429 0.000 0.976 305 Y HN 0.741 nan 8.280 nan 0.000 0.505 306 K N -0.106 120.263 120.400 -0.053 0.000 2.063 306 K HA -0.251 4.069 4.320 -0.000 0.000 0.208 306 K C 2.165 178.698 176.600 -0.112 0.000 1.048 306 K CA 2.018 58.262 56.287 -0.071 0.000 0.928 306 K CB -0.233 32.289 32.500 0.036 0.000 0.713 306 K HN 0.524 nan 8.250 nan 0.000 0.442 307 Q N 0.228 119.986 119.800 -0.069 0.000 2.096 307 Q HA -0.157 4.183 4.340 -0.000 0.000 0.204 307 Q C 2.134 178.094 176.000 -0.067 0.000 0.982 307 Q CA 1.506 57.284 55.803 -0.042 0.000 0.850 307 Q CB -0.111 28.626 28.738 -0.001 0.000 0.901 307 Q HN 0.096 nan 8.270 nan 0.000 0.422 308 V N 0.944 120.796 119.914 -0.104 0.000 2.332 308 V HA -0.281 3.839 4.120 -0.000 0.000 0.248 308 V C 1.983 177.989 176.094 -0.146 0.000 1.055 308 V CA 1.857 64.076 62.300 -0.135 0.000 1.038 308 V CB -0.404 31.281 31.823 -0.230 0.000 0.651 308 V HN 0.213 nan 8.190 nan 0.000 0.450 309 K N -0.059 120.211 120.400 -0.216 0.000 2.211 309 K HA -0.122 4.198 4.320 -0.000 0.000 0.204 309 K C 2.002 178.562 176.600 -0.067 0.000 1.047 309 K CA 0.947 57.140 56.287 -0.157 0.000 0.935 309 K CB -0.228 32.135 32.500 -0.228 0.000 0.728 309 K HN 0.410 nan 8.250 nan 0.000 0.452 310 Q N -0.199 119.570 119.800 -0.051 0.000 2.403 310 Q HA 0.108 4.448 4.340 -0.000 0.000 0.203 310 Q C -0.028 175.977 176.000 0.008 0.000 0.932 310 Q CA 0.286 56.081 55.803 -0.012 0.000 0.945 310 Q CB 0.355 29.089 28.738 -0.007 0.000 1.045 310 Q HN 0.289 nan 8.270 nan 0.000 0.511 311 L N 1.536 122.761 121.223 0.002 0.000 2.480 311 L HA 0.123 4.463 4.340 -0.000 0.000 0.243 311 L C 1.748 178.648 176.870 0.049 0.000 1.315 311 L CA -0.087 54.773 54.840 0.033 0.000 1.231 311 L CB -0.035 42.038 42.059 0.023 0.000 1.444 311 L HN 0.051 nan 8.230 nan 0.000 0.409 312 K N 0.772 121.212 120.400 0.066 0.000 2.009 312 K HA -0.258 4.062 4.320 -0.000 0.000 0.210 312 K C 1.923 178.584 176.600 0.101 0.000 1.049 312 K CA 1.801 58.133 56.287 0.075 0.000 0.929 312 K CB -0.094 32.455 32.500 0.082 0.000 0.714 312 K HN 0.367 nan 8.250 nan 0.000 0.440 313 Y N 1.161 121.479 120.300 0.029 0.000 2.224 313 Y HA -0.198 4.352 4.550 -0.000 0.000 0.289 313 Y C 1.960 177.890 175.900 0.050 0.000 1.146 313 Y CA 1.250 59.373 58.100 0.040 0.000 1.182 313 Y CB -0.113 38.375 38.460 0.047 0.000 0.983 313 Y HN -0.122 nan 8.280 nan 0.000 0.524 314 V N -0.486 119.492 119.914 0.107 0.000 2.332 314 V HA -0.298 3.822 4.120 -0.000 0.000 0.248 314 V C 2.555 178.636 176.094 -0.022 0.000 1.055 314 V CA 1.950 64.281 62.300 0.051 0.000 1.038 314 V CB -1.523 30.348 31.823 0.081 0.000 0.651 314 V HN 0.593 nan 8.190 nan 0.000 0.450 315 G N -0.915 107.869 108.800 -0.028 0.000 2.408 315 G HA2 -0.242 3.717 3.960 -0.000 0.000 0.217 315 G HA3 -0.242 3.717 3.960 -0.000 0.000 0.217 315 G C 1.627 176.443 174.900 -0.140 0.000 1.150 315 G CA 0.937 46.006 45.100 -0.052 0.000 0.776 315 G HN 0.433 nan 8.290 nan 0.000 0.542 316 M N -0.001 119.486 119.600 -0.188 0.000 2.159 316 M HA -0.032 4.448 4.480 -0.000 0.000 0.263 316 M C 2.654 178.738 176.300 -0.361 0.000 1.063 316 M CA 0.758 55.892 55.300 -0.275 0.000 1.110 316 M CB -0.225 32.201 32.600 -0.289 0.000 1.374 316 M HN 0.095 nan 8.290 nan 0.000 0.411 317 V N 0.752 120.460 119.914 -0.344 0.000 2.287 317 V HA -0.279 3.841 4.120 -0.000 0.000 0.248 317 V C 2.256 178.354 176.094 0.005 0.000 1.053 317 V CA 1.758 63.981 62.300 -0.129 0.000 1.027 317 V CB -0.587 31.241 31.823 0.009 0.000 0.646 317 V HN 0.454 nan 8.190 nan 0.000 0.447 318 L N -0.236 120.970 121.223 -0.027 0.000 2.017 318 L HA -0.213 4.127 4.340 -0.000 0.000 0.208 318 L C 2.262 179.087 176.870 -0.075 0.000 1.073 318 L CA 2.172 57.024 54.840 0.020 0.000 0.745 318 L CB -0.802 41.273 42.059 0.027 0.000 0.894 318 L HN 0.423 nan 8.230 nan 0.000 0.432 319 N N -0.495 118.023 118.700 -0.303 0.000 2.104 319 N HA -0.249 4.491 4.740 -0.000 0.000 0.190 319 N C 1.797 176.873 175.510 -0.725 0.000 1.024 319 N CA 1.090 53.749 53.050 -0.652 0.000 0.853 319 N CB -0.013 37.590 38.487 -1.474 0.000 1.008 319 N HN 0.227 nan 8.380 nan 0.000 0.424 320 E N 1.089 120.941 120.200 -0.581 0.000 2.150 320 E HA -0.044 4.306 4.350 -0.000 0.000 0.193 320 E C 1.741 178.258 176.600 -0.139 0.000 0.985 320 E CA 1.103 57.300 56.400 -0.338 0.000 0.814 320 E CB -0.166 29.164 29.700 -0.617 0.000 0.752 320 E HN 0.363 nan 8.360 nan 0.000 0.466 321 A N 0.274 123.156 122.820 0.104 0.000 1.930 321 A HA -0.070 4.250 4.320 -0.000 0.000 0.217 321 A C 2.221 179.910 177.584 0.176 0.000 1.175 321 A CA 1.172 53.384 52.037 0.292 0.000 0.627 321 A CB -0.577 18.703 19.000 0.467 0.000 0.815 321 A HN 0.338 nan 8.150 nan 0.000 0.443 322 L N -1.130 120.173 121.223 0.133 0.000 2.217 322 L HA -0.099 4.240 4.340 -0.000 0.000 0.211 322 L C 2.722 179.703 176.870 0.184 0.000 1.107 322 L CA 1.227 56.164 54.840 0.162 0.000 0.783 322 L CB -0.409 41.752 42.059 0.169 0.000 0.919 322 L HN 0.468 nan 8.230 nan 0.000 0.442 323 R N 0.743 121.311 120.500 0.113 0.000 2.062 323 R HA -0.145 4.195 4.340 -0.000 0.000 0.231 323 R C 2.309 178.542 176.300 -0.112 0.000 1.136 323 R CA 1.404 57.439 56.100 -0.107 0.000 0.948 323 R CB -0.166 29.932 30.300 -0.336 0.000 0.845 323 R HN 0.269 nan 8.270 nan 0.000 0.430 324 L N -1.169 119.894 121.223 -0.266 0.000 2.027 324 L HA -0.089 4.251 4.340 -0.000 0.000 0.206 324 L C 0.617 176.967 176.870 -0.867 0.000 1.074 324 L CA 1.104 55.602 54.840 -0.569 0.000 0.745 324 L CB -0.114 41.617 42.059 -0.547 0.000 0.898 324 L HN 0.262 nan 8.230 nan 0.000 0.433 325 W N 0.278 121.516 121.300 -0.104 0.000 1.950 325 W HA 0.288 4.948 4.660 0.000 0.000 0.289 325 W C -2.170 174.253 176.519 -0.161 0.000 0.883 325 W CA -1.998 55.160 57.345 -0.312 0.000 2.031 325 W CB 0.282 29.104 29.460 -1.064 0.000 2.266 325 W HN -0.179 nan 8.180 nan 0.000 0.400 326 P HA -0.067 nan 4.420 nan 0.000 0.258 326 P C 1.119 178.523 177.300 0.174 0.000 1.187 326 P CA 0.894 64.087 63.100 0.155 0.000 0.767 326 P CB 0.986 32.756 31.700 0.117 0.000 0.770 327 T N 0.070 114.737 114.554 0.189 0.000 3.163 327 T HA 0.128 4.477 4.350 -0.000 0.000 0.260 327 T C 0.896 175.691 174.700 0.159 0.000 1.156 327 T CA 0.352 62.579 62.100 0.213 0.000 1.072 327 T CB -0.124 68.888 68.868 0.240 0.000 0.937 327 T HN 0.451 nan 8.240 nan 0.000 0.528 328 A N 2.740 125.643 122.820 0.138 0.000 2.978 328 A HA 0.579 4.898 4.320 -0.000 0.000 0.341 328 A C -1.203 176.471 177.584 0.150 0.000 1.105 328 A CA -1.432 50.691 52.037 0.143 0.000 0.819 328 A CB 0.990 20.073 19.000 0.139 0.000 1.080 328 A HN 0.201 nan 8.150 nan 0.000 0.476 329 P HA 0.026 nan 4.420 nan 0.000 0.223 329 P C 0.475 177.837 177.300 0.102 0.000 1.151 329 P CA 1.418 64.590 63.100 0.121 0.000 0.787 329 P CB 0.380 32.162 31.700 0.136 0.000 0.788 330 A N -0.220 122.675 122.820 0.125 0.000 2.486 330 A HA 0.658 4.978 4.320 -0.000 0.000 0.300 330 A C -1.038 176.636 177.584 0.151 0.000 1.048 330 A CA -0.653 51.426 52.037 0.071 0.000 0.696 330 A CB 0.974 20.001 19.000 0.045 0.000 1.278 330 A HN 0.081 nan 8.150 nan 0.000 0.405 331 F N -0.061 119.861 119.950 -0.046 0.000 2.588 331 F HA 0.876 5.402 4.527 -0.000 0.000 0.314 331 F C -0.066 175.671 175.800 -0.104 0.000 1.069 331 F CA -1.179 56.782 58.000 -0.065 0.000 0.931 331 F CB 1.573 40.541 39.000 -0.052 0.000 1.260 331 F HN 0.454 nan 8.300 nan 0.000 0.465 332 S N 1.947 117.671 115.700 0.040 0.000 2.537 332 S HA 0.890 5.360 4.470 -0.000 0.000 0.301 332 S C -1.092 173.516 174.600 0.013 0.000 1.092 332 S CA -0.526 57.630 58.200 -0.075 0.000 1.048 332 S CB 0.806 63.964 63.200 -0.070 0.000 1.053 332 S HN 0.682 nan 8.310 nan 0.000 0.501 333 L N 3.530 124.731 121.223 -0.036 0.000 2.376 333 L HA 0.635 4.974 4.340 -0.000 0.000 0.258 333 L C -1.423 175.520 176.870 0.122 0.000 1.013 333 L CA -1.155 53.706 54.840 0.034 0.000 0.822 333 L CB 2.036 44.050 42.059 -0.075 0.000 1.388 333 L HN 0.812 nan 8.230 nan 0.000 0.413 334 Y N 0.150 120.526 120.300 0.127 0.000 2.499 334 Y HA 0.861 5.411 4.550 0.000 0.000 0.347 334 Y C -0.288 175.748 175.900 0.227 0.000 0.987 334 Y CA -1.455 56.727 58.100 0.137 0.000 1.044 334 Y CB 1.409 39.932 38.460 0.104 0.000 1.245 334 Y HN 0.574 nan 8.280 nan 0.000 0.461 335 A N 4.124 127.089 122.820 0.240 0.000 2.454 335 A HA 0.262 4.582 4.320 -0.000 0.000 0.260 335 A C 0.780 178.321 177.584 -0.072 0.000 1.106 335 A CA -0.557 51.492 52.037 0.020 0.000 0.780 335 A CB 0.232 19.275 19.000 0.072 0.000 1.044 335 A HN 1.012 nan 8.150 nan 0.000 0.498 336 K N 0.668 120.886 120.400 -0.302 0.000 2.097 336 K HA -0.062 4.258 4.320 -0.000 0.000 0.206 336 K C 0.197 176.756 176.600 -0.069 0.000 1.049 336 K CA 1.189 57.387 56.287 -0.148 0.000 0.933 336 K CB 0.081 32.438 32.500 -0.237 0.000 0.717 336 K HN 0.745 nan 8.250 nan 0.000 0.442 337 E N 0.063 120.181 120.200 -0.138 0.000 2.449 337 E HA 0.154 4.504 4.350 -0.000 0.000 0.278 337 E C -1.420 175.119 176.600 -0.101 0.000 0.992 337 E CA -0.711 55.630 56.400 -0.099 0.000 0.807 337 E CB 1.141 30.775 29.700 -0.111 0.000 1.350 337 E HN -0.042 nan 8.360 nan 0.000 0.462 338 D N 0.860 121.224 120.400 -0.060 0.000 2.472 338 D HA 0.242 4.882 4.640 -0.000 0.000 0.237 338 D C 0.063 176.326 176.300 -0.061 0.000 1.141 338 D CA 0.975 54.951 54.000 -0.040 0.000 0.875 338 D CB 0.734 41.520 40.800 -0.023 0.000 1.192 338 D HN 0.227 nan 8.370 nan 0.000 0.450 339 T N -0.228 114.307 114.554 -0.032 0.000 2.749 339 T HA 0.365 4.715 4.350 -0.000 0.000 0.310 339 T C -1.701 173.022 174.700 0.038 0.000 1.496 339 T CA -0.658 61.423 62.100 -0.031 0.000 1.006 339 T CB 1.055 69.850 68.868 -0.123 0.000 1.457 339 T HN -0.008 nan 8.240 nan 0.000 0.497 340 V N 3.336 123.279 119.914 0.048 0.000 2.384 340 V HA 0.600 4.720 4.120 -0.000 0.000 0.287 340 V C -0.274 175.890 176.094 0.117 0.000 1.020 340 V CA -0.745 61.597 62.300 0.071 0.000 0.850 340 V CB 1.206 33.046 31.823 0.029 0.000 0.987 340 V HN 0.776 nan 8.190 nan 0.000 0.436 341 L N 5.023 126.351 121.223 0.174 0.000 2.276 341 L HA 0.739 5.079 4.340 -0.000 0.000 0.286 341 L C 1.128 178.105 176.870 0.178 0.000 1.061 341 L CA 1.322 56.283 54.840 0.201 0.000 0.807 341 L CB 0.993 43.179 42.059 0.212 0.000 1.177 341 L HN 0.918 nan 8.230 nan 0.000 0.429 342 G N 3.190 112.065 108.800 0.124 0.000 2.187 342 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.261 342 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.261 342 G C 1.056 175.966 174.900 0.016 0.000 1.000 342 G CA 0.681 45.833 45.100 0.086 0.000 0.718 342 G HN 2.031 nan 8.290 nan 0.000 0.519 343 G N -1.317 107.483 108.800 0.000 0.000 2.184 343 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.264 343 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.264 343 G C 0.641 175.471 174.900 -0.117 0.000 0.975 343 G CA 1.411 46.487 45.100 -0.041 0.000 0.642 343 G HN 0.993 nan 8.290 nan 0.000 0.536 344 E N -1.835 118.229 120.200 -0.226 0.000 2.467 344 E HA 0.275 4.625 4.350 -0.000 0.000 0.213 344 E C -0.243 176.014 176.600 -0.571 0.000 0.823 344 E CA -0.071 56.039 56.400 -0.484 0.000 1.233 344 E CB 0.601 29.778 29.700 -0.872 0.000 1.233 344 E HN 0.522 nan 8.360 nan 0.000 0.585 345 Y N 1.644 121.956 120.300 0.020 0.000 2.388 345 Y HA 0.368 4.918 4.550 -0.000 0.000 0.328 345 Y C -2.482 173.435 175.900 0.028 0.000 0.963 345 Y CA -3.117 54.995 58.100 0.021 0.000 1.240 345 Y CB 1.066 39.535 38.460 0.015 0.000 1.118 345 Y HN -0.130 nan 8.280 nan 0.000 0.484 346 P HA 0.189 nan 4.420 nan 0.000 0.276 346 P C -0.764 176.600 177.300 0.105 0.000 1.235 346 P CA 0.101 63.257 63.100 0.093 0.000 0.772 346 P CB 0.843 32.575 31.700 0.054 0.000 0.871 347 L N 2.453 123.734 121.223 0.097 0.000 2.354 347 L HA 0.476 4.816 4.340 -0.000 0.000 0.269 347 L C 0.594 177.499 176.870 0.058 0.000 1.005 347 L CA -0.800 54.096 54.840 0.094 0.000 0.819 347 L CB 2.022 44.172 42.059 0.150 0.000 1.311 347 L HN 0.252 nan 8.230 nan 0.000 0.423 348 E N 1.186 121.416 120.200 0.050 0.000 2.248 348 E HA 0.235 4.585 4.350 -0.000 0.000 0.272 348 E C -0.814 175.807 176.600 0.035 0.000 1.008 348 E CA -0.994 55.423 56.400 0.029 0.000 0.856 348 E CB 2.014 31.727 29.700 0.022 0.000 1.120 348 E HN 0.319 nan 8.360 nan 0.000 0.397 349 K N 0.361 120.770 120.400 0.016 0.000 2.530 349 K HA -0.065 4.255 4.320 -0.000 0.000 0.280 349 K C 0.776 177.411 176.600 0.059 0.000 1.004 349 K CA 1.395 57.700 56.287 0.029 0.000 1.071 349 K CB -0.122 32.380 32.500 0.003 0.000 0.876 349 K HN 0.734 nan 8.250 nan 0.000 0.487 350 G N 2.998 111.881 108.800 0.137 0.000 2.258 350 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.233 350 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.233 350 G C -0.385 174.594 174.900 0.132 0.000 1.006 350 G CA 0.108 45.283 45.100 0.125 0.000 0.620 350 G HN 0.732 nan 8.290 nan 0.000 0.511 351 D N 1.471 121.939 120.400 0.113 0.000 2.488 351 D HA 0.378 5.018 4.640 -0.000 0.000 0.238 351 D C 0.536 176.902 176.300 0.109 0.000 1.138 351 D CA 0.453 54.505 54.000 0.087 0.000 0.873 351 D CB 0.863 41.708 40.800 0.074 0.000 1.183 351 D HN 0.533 nan 8.370 nan 0.000 0.458 352 E N 1.759 121.984 120.200 0.041 0.000 2.242 352 E HA 0.447 4.797 4.350 -0.000 0.000 0.275 352 E C -0.850 175.678 176.600 -0.120 0.000 1.002 352 E CA -0.596 55.803 56.400 -0.000 0.000 0.841 352 E CB 0.862 30.552 29.700 -0.017 0.000 1.109 352 E HN 0.321 nan 8.360 nan 0.000 0.394 353 L N 3.027 124.137 121.223 -0.188 0.000 2.341 353 L HA 0.524 4.864 4.340 -0.000 0.000 0.267 353 L C -0.411 176.211 176.870 -0.413 0.000 1.009 353 L CA -1.089 53.547 54.840 -0.341 0.000 0.819 353 L CB 1.887 43.700 42.059 -0.410 0.000 1.323 353 L HN 0.453 nan 8.230 nan 0.000 0.425 354 M N 2.206 121.466 119.600 -0.567 0.000 2.321 354 M HA 0.403 4.883 4.480 -0.000 0.000 0.315 354 M C -0.799 175.184 176.300 -0.527 0.000 1.052 354 M CA -0.662 54.294 55.300 -0.573 0.000 0.936 354 M CB 2.145 34.261 32.600 -0.805 0.000 1.639 354 M HN 0.167 nan 8.290 nan 0.000 0.433 355 V N 4.645 124.173 119.914 -0.644 0.000 2.406 355 V HA 0.226 4.346 4.120 -0.000 0.000 0.272 355 V C -0.143 175.722 176.094 -0.382 0.000 1.043 355 V CA -0.678 61.234 62.300 -0.647 0.000 0.915 355 V CB 1.387 32.472 31.823 -1.229 0.000 0.988 355 V HN 0.610 nan 8.190 nan 0.000 0.466 356 L N 7.069 128.173 121.223 -0.198 0.000 2.358 356 L HA 0.407 4.747 4.340 -0.000 0.000 0.274 356 L C 0.976 177.772 176.870 -0.124 0.000 1.136 356 L CA 0.549 55.338 54.840 -0.084 0.000 0.970 356 L CB -0.010 42.044 42.059 -0.009 0.000 1.314 356 L HN 0.592 nan 8.230 nan 0.000 0.427 357 I N 4.709 125.197 120.570 -0.136 0.000 2.163 357 I HA -0.192 3.978 4.170 -0.000 0.000 0.243 357 I C -0.525 175.351 176.117 -0.402 0.000 1.085 357 I CA 1.151 62.293 61.300 -0.263 0.000 1.347 357 I CB -1.268 36.619 38.000 -0.188 0.000 1.044 357 I HN 0.482 nan 8.210 nan 0.000 0.408 358 P HA -0.197 nan 4.420 nan 0.000 0.218 358 P C 1.566 178.767 177.300 -0.166 0.000 1.148 358 P CA 1.359 64.333 63.100 -0.210 0.000 0.822 358 P CB 0.024 31.638 31.700 -0.144 0.000 0.784 359 Q N -0.664 119.074 119.800 -0.103 0.000 2.137 359 Q HA -0.072 4.267 4.340 -0.000 0.000 0.198 359 Q C 1.938 177.938 176.000 -0.001 0.000 0.960 359 Q CA 0.771 56.550 55.803 -0.040 0.000 0.847 359 Q CB -1.215 27.523 28.738 0.000 0.000 0.915 359 Q HN 0.082 nan 8.270 nan 0.000 0.448 360 L N 0.022 121.229 121.223 -0.027 0.000 2.013 360 L HA -0.200 4.140 4.340 -0.000 0.000 0.212 360 L C 1.494 178.514 176.870 0.251 0.000 1.073 360 L CA 2.007 56.891 54.840 0.073 0.000 0.753 360 L CB -0.696 41.374 42.059 0.019 0.000 0.890 360 L HN 0.321 nan 8.230 nan 0.000 0.432 361 H N -0.093 119.019 119.070 0.071 0.000 2.567 361 H HA 0.109 4.665 4.556 -0.000 0.000 0.276 361 H C 1.392 176.520 175.328 -0.334 0.000 1.016 361 H CA 0.646 56.645 56.048 -0.081 0.000 1.186 361 H CB -0.155 29.504 29.762 -0.172 0.000 1.351 361 H HN 0.439 nan 8.280 nan 0.000 0.605 362 R N 0.096 120.594 120.500 -0.003 0.000 2.565 362 R HA 0.039 4.379 4.340 -0.000 0.000 0.347 362 R C -0.202 176.175 176.300 0.127 0.000 1.010 362 R CA -0.219 55.862 56.100 -0.031 0.000 1.126 362 R CB 0.835 31.095 30.300 -0.068 0.000 1.331 362 R HN 0.028 nan 8.270 nan 0.000 0.552 363 D N 1.845 122.409 120.400 0.273 0.000 2.368 363 D HA -0.034 4.606 4.640 -0.000 0.000 0.268 363 D C 0.468 176.935 176.300 0.278 0.000 1.298 363 D CA 0.553 54.705 54.000 0.252 0.000 0.938 363 D CB 0.875 41.822 40.800 0.244 0.000 1.101 363 D HN 0.034 nan 8.370 nan 0.000 0.509 364 K N 1.483 121.980 120.400 0.162 0.000 2.365 364 K HA -0.088 4.232 4.320 -0.000 0.000 0.199 364 K C 1.866 178.516 176.600 0.083 0.000 1.045 364 K CA 1.133 57.498 56.287 0.130 0.000 0.962 364 K CB 0.082 32.630 32.500 0.080 0.000 0.759 364 K HN 0.518 nan 8.250 nan 0.000 0.469 365 T N -0.974 113.616 114.554 0.060 0.000 3.035 365 T HA 0.002 4.352 4.350 -0.000 0.000 0.268 365 T C 1.672 176.347 174.700 -0.041 0.000 1.109 365 T CA 0.521 62.629 62.100 0.013 0.000 1.119 365 T CB 0.033 68.909 68.868 0.013 0.000 0.900 365 T HN -0.066 nan 8.240 nan 0.000 0.503 366 I N -1.022 119.507 120.570 -0.068 0.000 2.729 366 I HA 0.266 4.436 4.170 -0.000 0.000 0.256 366 I C 1.561 177.436 176.117 -0.403 0.000 1.115 366 I CA 0.350 61.471 61.300 -0.300 0.000 1.446 366 I CB -0.947 36.764 38.000 -0.482 0.000 1.176 366 I HN 0.338 nan 8.210 nan 0.000 0.446 367 W N 1.607 122.876 121.300 -0.052 0.000 3.211 367 W HA 0.467 5.127 4.660 -0.000 0.000 0.292 367 W C 1.170 177.641 176.519 -0.079 0.000 1.268 367 W CA 0.830 58.121 57.345 -0.090 0.000 1.702 367 W CB 0.093 29.499 29.460 -0.090 0.000 1.092 367 W HN 0.236 nan 8.180 nan 0.000 0.643 368 G N 0.723 109.596 108.800 0.121 0.000 2.603 368 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.686 368 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.686 368 G C -0.281 174.665 174.900 0.077 0.000 1.286 368 G CA -0.278 44.863 45.100 0.067 0.000 0.871 368 G HN -0.044 nan 8.290 nan 0.000 0.568 369 D N 0.012 120.440 120.400 0.047 0.000 2.323 369 D HA 0.066 4.706 4.640 -0.000 0.000 0.209 369 D C 1.737 178.057 176.300 0.034 0.000 0.973 369 D CA 1.297 55.322 54.000 0.041 0.000 0.874 369 D CB 0.060 40.877 40.800 0.030 0.000 0.930 369 D HN 0.573 nan 8.370 nan 0.000 0.521 370 D N 0.518 120.936 120.400 0.030 0.000 2.663 370 D HA -0.077 4.563 4.640 -0.000 0.000 0.243 370 D C 1.699 177.996 176.300 -0.004 0.000 1.218 370 D CA -0.037 53.974 54.000 0.017 0.000 0.846 370 D CB -0.467 40.341 40.800 0.014 0.000 1.014 370 D HN 0.154 nan 8.370 nan 0.000 0.476 371 V N -2.214 117.694 119.914 -0.010 0.000 2.720 371 V HA -0.165 3.955 4.120 -0.000 0.000 0.256 371 V C 1.620 177.648 176.094 -0.111 0.000 1.082 371 V CA 1.173 63.429 62.300 -0.073 0.000 1.101 371 V CB -0.414 31.373 31.823 -0.061 0.000 0.693 371 V HN 0.055 nan 8.190 nan 0.000 0.479 372 E N 0.152 120.323 120.200 -0.048 0.000 2.442 372 E HA 0.085 4.435 4.350 -0.000 0.000 0.195 372 E C 0.589 177.199 176.600 0.017 0.000 1.030 372 E CA 0.050 56.438 56.400 -0.019 0.000 0.869 372 E CB -0.030 29.693 29.700 0.039 0.000 0.857 372 E HN 0.704 nan 8.360 nan 0.000 0.505 373 E N 0.565 120.766 120.200 0.001 0.000 2.373 373 E HA 0.040 4.390 4.350 -0.000 0.000 0.267 373 E C -0.377 176.217 176.600 -0.009 0.000 1.032 373 E CA -0.326 56.095 56.400 0.036 0.000 0.889 373 E CB 0.401 30.114 29.700 0.022 0.000 0.984 373 E HN -0.048 nan 8.360 nan 0.000 0.425 374 F N 3.035 122.920 119.950 -0.107 0.000 2.405 374 F HA 0.187 4.714 4.527 -0.000 0.000 0.358 374 F C 0.407 176.147 175.800 -0.100 0.000 1.151 374 F CA -0.241 57.622 58.000 -0.227 0.000 1.161 374 F CB 0.271 39.154 39.000 -0.196 0.000 1.245 374 F HN 0.194 nan 8.300 nan 0.000 0.545 375 R N 8.021 128.183 120.500 -0.564 0.000 2.545 375 R HA 0.345 4.685 4.340 -0.000 0.000 0.289 375 R C -2.331 173.725 176.300 -0.406 0.000 1.327 375 R CA -1.663 54.227 56.100 -0.350 0.000 1.040 375 R CB 1.139 31.349 30.300 -0.151 0.000 1.176 375 R HN 0.276 nan 8.270 nan 0.000 0.518 376 P HA -0.138 nan 4.420 nan 0.000 0.219 376 P C 0.152 177.384 177.300 -0.114 0.000 1.146 376 P CA 1.031 63.910 63.100 -0.369 0.000 0.808 376 P CB 0.402 31.749 31.700 -0.588 0.000 0.779 377 E N -0.570 119.615 120.200 -0.025 0.000 2.333 377 E HA -0.128 4.221 4.350 -0.000 0.000 0.198 377 E C 1.842 178.412 176.600 -0.049 0.000 1.007 377 E CA 0.620 57.038 56.400 0.030 0.000 0.845 377 E CB -0.660 29.075 29.700 0.059 0.000 0.766 377 E HN 0.287 nan 8.360 nan 0.000 0.507 378 R N -0.570 119.853 120.500 -0.128 0.000 2.200 378 R HA -0.101 4.239 4.340 -0.000 0.000 0.234 378 R C 0.727 176.744 176.300 -0.472 0.000 1.127 378 R CA 0.910 56.846 56.100 -0.272 0.000 0.989 378 R CB -0.188 29.879 30.300 -0.389 0.000 0.869 378 R HN 0.219 nan 8.270 nan 0.000 0.459 379 F N -0.093 119.777 119.950 -0.134 0.000 2.647 379 F HA 0.167 4.694 4.527 0.000 0.000 0.300 379 F C 1.737 177.482 175.800 -0.092 0.000 1.106 379 F CA -0.283 57.629 58.000 -0.146 0.000 1.313 379 F CB 0.287 39.151 39.000 -0.226 0.000 1.007 379 F HN -0.044 nan 8.300 nan 0.000 0.536 380 E N 0.648 120.869 120.200 0.036 0.000 2.160 380 E HA -0.212 4.138 4.350 -0.000 0.000 0.195 380 E C 0.596 177.212 176.600 0.027 0.000 0.991 380 E CA 0.808 57.235 56.400 0.045 0.000 0.810 380 E CB 0.105 29.824 29.700 0.032 0.000 0.742 380 E HN 0.085 nan 8.360 nan 0.000 0.466 381 N N -0.553 118.142 118.700 -0.008 0.000 2.716 381 N HA 0.135 4.875 4.740 -0.000 0.000 0.253 381 N C -2.383 173.113 175.510 -0.024 0.000 1.170 381 N CA -1.845 51.197 53.050 -0.012 0.000 0.807 381 N CB 1.221 39.689 38.487 -0.031 0.000 1.183 381 N HN -0.179 nan 8.380 nan 0.000 0.524 382 P HA -0.138 nan 4.420 nan 0.000 0.216 382 P C 1.375 178.684 177.300 0.014 0.000 1.150 382 P CA 1.172 64.299 63.100 0.046 0.000 0.837 382 P CB 0.258 32.014 31.700 0.093 0.000 0.786 383 S N -0.492 115.211 115.700 0.006 0.000 2.442 383 S HA -0.081 4.389 4.470 -0.000 0.000 0.236 383 S C 1.874 176.453 174.600 -0.035 0.000 1.007 383 S CA 1.072 59.269 58.200 -0.005 0.000 0.965 383 S CB -1.126 62.073 63.200 -0.002 0.000 0.773 383 S HN 0.123 nan 8.310 nan 0.000 0.504 384 A N 0.450 123.234 122.820 -0.059 0.000 2.251 384 A HA 0.468 4.788 4.320 -0.000 0.000 0.209 384 A C 0.741 178.237 177.584 -0.145 0.000 1.187 384 A CA -0.341 51.641 52.037 -0.092 0.000 0.823 384 A CB -0.442 18.500 19.000 -0.096 0.000 0.846 384 A HN 0.595 nan 8.150 nan 0.000 0.486 385 I N 1.727 122.206 120.570 -0.151 0.000 2.496 385 I HA 0.154 4.324 4.170 -0.000 0.000 0.285 385 I C -2.101 173.909 176.117 -0.178 0.000 1.080 385 I CA -1.888 59.266 61.300 -0.242 0.000 1.404 385 I CB 1.038 38.907 38.000 -0.218 0.000 1.403 385 I HN 0.074 nan 8.210 nan 0.000 0.539 386 P HA -0.042 nan 4.420 nan 0.000 0.266 386 P C -0.556 176.693 177.300 -0.085 0.000 1.195 386 P CA -0.277 62.737 63.100 -0.143 0.000 0.768 386 P CB 0.362 31.961 31.700 -0.168 0.000 0.838 387 Q N 2.378 122.133 119.800 -0.075 0.000 2.368 387 Q HA -0.175 4.165 4.340 -0.000 0.000 0.331 387 Q C -0.050 175.913 176.000 -0.062 0.000 1.086 387 Q CA 0.671 56.394 55.803 -0.134 0.000 1.031 387 Q CB -0.342 28.330 28.738 -0.110 0.000 1.125 387 Q HN 0.569 nan 8.270 nan 0.000 0.389 388 H N 0.381 119.513 119.070 0.105 0.000 2.921 388 H HA -0.293 4.263 4.556 -0.000 0.000 0.281 388 H C 0.668 176.104 175.328 0.180 0.000 1.165 388 H CA 0.527 56.657 56.048 0.137 0.000 1.151 388 H CB -1.340 28.486 29.762 0.106 0.000 1.311 388 H HN 0.652 nan 8.280 nan 0.000 0.361 389 A N -0.137 122.835 122.820 0.253 0.000 2.030 389 A HA 0.199 4.519 4.320 -0.000 0.000 0.215 389 A C 0.542 178.512 177.584 0.644 0.000 1.164 389 A CA 0.690 52.913 52.037 0.311 0.000 0.697 389 A CB 0.354 19.357 19.000 0.006 0.000 0.827 389 A HN 0.273 nan 8.150 nan 0.000 0.457 390 F N 0.655 120.848 119.950 0.405 0.000 2.434 390 F HA 0.515 5.042 4.527 0.000 0.000 0.355 390 F C -0.099 175.960 175.800 0.433 0.000 1.115 390 F CA -0.998 57.280 58.000 0.464 0.000 1.010 390 F CB 1.240 40.489 39.000 0.415 0.000 1.234 390 F HN -0.126 nan 8.300 nan 0.000 0.439 391 K N 7.649 128.223 120.400 0.290 0.000 3.271 391 K HA 0.206 4.526 4.320 -0.000 0.000 0.192 391 K C -2.141 174.446 176.600 -0.023 0.000 1.108 391 K CA -1.193 55.152 56.287 0.097 0.000 0.902 391 K CB 0.870 33.518 32.500 0.248 0.000 0.889 391 K HN 0.355 nan 8.250 nan 0.000 0.520 392 P HA -0.099 nan 4.420 nan 0.000 0.226 392 P C 0.629 177.874 177.300 -0.091 0.000 1.153 392 P CA 0.874 63.898 63.100 -0.127 0.000 0.777 392 P CB 0.334 31.876 31.700 -0.264 0.000 0.794 393 A N -0.779 121.970 122.820 -0.119 0.000 2.545 393 A HA 0.593 4.913 4.320 -0.000 0.000 0.277 393 A C 1.093 178.572 177.584 -0.175 0.000 1.301 393 A CA 0.264 52.244 52.037 -0.094 0.000 0.935 393 A CB -0.683 18.288 19.000 -0.049 0.000 1.093 393 A HN 0.346 nan 8.150 nan 0.000 0.519 394 G N 0.238 108.857 108.800 -0.301 0.000 2.525 394 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.248 394 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.248 394 G C -0.306 174.325 174.900 -0.448 0.000 1.238 394 G CA -0.012 44.621 45.100 -0.777 0.000 0.926 394 G HN 0.959 nan 8.290 nan 0.000 0.574 395 N N 0.348 118.784 118.700 -0.440 0.000 2.287 395 N HA 0.529 5.269 4.740 -0.000 0.000 0.289 395 N C 0.722 176.210 175.510 -0.037 0.000 1.066 395 N CA 0.974 53.956 53.050 -0.114 0.000 0.841 395 N CB 1.535 40.020 38.487 -0.002 0.000 1.599 395 N HN 2.425 nan 8.380 nan 0.000 0.476 396 G N 2.818 111.650 108.800 0.052 0.000 2.566 396 G HA2 -0.398 3.562 3.960 -0.000 0.000 0.280 396 G HA3 -0.398 3.562 3.960 -0.000 0.000 0.280 396 G C 0.696 175.649 174.900 0.087 0.000 1.225 396 G CA 0.830 45.976 45.100 0.076 0.000 0.966 396 G HN 0.798 nan 8.290 nan 0.000 0.560 397 Q N -0.219 119.631 119.800 0.083 0.000 2.364 397 Q HA 0.055 4.395 4.340 -0.000 0.000 0.207 397 Q C 1.840 177.940 176.000 0.166 0.000 0.970 397 Q CA 1.432 57.316 55.803 0.135 0.000 0.888 397 Q CB 0.046 28.842 28.738 0.098 0.000 0.951 397 Q HN 0.435 nan 8.270 nan 0.000 0.469 398 R N 0.704 121.220 120.500 0.026 0.000 2.426 398 R HA 0.401 4.741 4.340 -0.000 0.000 0.263 398 R C 0.124 176.421 176.300 -0.004 0.000 0.961 398 R CA 0.370 56.467 56.100 -0.005 0.000 1.086 398 R CB -0.086 30.116 30.300 -0.163 0.000 1.186 398 R HN 0.332 nan 8.270 nan 0.000 0.537 399 A N 0.361 123.196 122.820 0.025 0.000 2.280 399 A HA 0.122 4.442 4.320 -0.000 0.000 0.268 399 A C 0.202 177.798 177.584 0.019 0.000 1.111 399 A CA -0.448 51.570 52.037 -0.031 0.000 0.814 399 A CB 0.387 19.385 19.000 -0.004 0.000 1.093 399 A HN 0.444 nan 8.150 nan 0.000 0.498 400 C N 1.491 120.776 119.300 -0.025 0.000 2.601 400 C HA 0.121 4.581 4.460 -0.000 0.000 0.405 400 C C 1.693 176.649 174.990 -0.056 0.000 1.441 400 C CA 0.177 59.176 59.018 -0.031 0.000 1.555 400 C CB -2.080 25.634 27.740 -0.044 0.000 2.450 400 C HN 0.736 nan 8.230 nan 0.000 0.614 401 I N 4.580 125.074 120.570 -0.127 0.000 2.761 401 I HA 0.082 4.252 4.170 -0.000 0.000 0.261 401 I C 2.017 177.820 176.117 -0.523 0.000 1.198 401 I CA 1.452 62.588 61.300 -0.273 0.000 1.482 401 I CB -0.041 37.743 38.000 -0.359 0.000 1.100 401 I HN 0.924 nan 8.210 nan 0.000 0.445 402 G N -0.341 108.173 108.800 -0.476 0.000 3.181 402 G HA2 -0.102 3.858 3.960 -0.000 0.000 0.219 402 G HA3 -0.102 3.858 3.960 -0.000 0.000 0.219 402 G C 1.172 176.080 174.900 0.013 0.000 1.182 402 G CA -0.167 44.723 45.100 -0.350 0.000 0.791 402 G HN 0.279 nan 8.290 nan 0.000 0.537 403 Q N 0.271 120.083 119.800 0.020 0.000 2.084 403 Q HA -0.097 4.242 4.340 -0.000 0.000 0.202 403 Q C 2.582 178.686 176.000 0.174 0.000 0.978 403 Q CA 1.558 57.416 55.803 0.093 0.000 0.844 403 Q CB -0.065 28.712 28.738 0.064 0.000 0.898 403 Q HN 0.427 nan 8.270 nan 0.000 0.426 404 Q N -1.098 118.830 119.800 0.213 0.000 2.079 404 Q HA -0.078 4.262 4.340 -0.000 0.000 0.200 404 Q C 1.638 177.838 176.000 0.333 0.000 0.974 404 Q CA 1.337 57.291 55.803 0.252 0.000 0.840 404 Q CB -0.421 28.467 28.738 0.250 0.000 0.898 404 Q HN 0.405 nan 8.270 nan 0.000 0.430 405 F N 0.698 120.787 119.950 0.232 0.000 2.069 405 F HA -0.220 4.307 4.527 -0.000 0.000 0.298 405 F C 2.033 177.950 175.800 0.196 0.000 1.113 405 F CA 1.508 59.648 58.000 0.234 0.000 1.214 405 F CB -0.614 38.521 39.000 0.226 0.000 0.978 405 F HN 0.075 nan 8.300 nan 0.000 0.474 406 A N 0.284 123.386 122.820 0.470 0.000 1.940 406 A HA -0.151 4.169 4.320 -0.000 0.000 0.219 406 A C 2.296 180.005 177.584 0.210 0.000 1.176 406 A CA 1.886 54.113 52.037 0.317 0.000 0.631 406 A CB -1.167 17.962 19.000 0.214 0.000 0.814 406 A HN 0.503 nan 8.150 nan 0.000 0.446 407 L N -2.048 119.291 121.223 0.194 0.000 2.109 407 L HA -0.125 4.215 4.340 -0.000 0.000 0.207 407 L C 2.578 179.525 176.870 0.128 0.000 1.086 407 L CA 1.507 56.433 54.840 0.145 0.000 0.760 407 L CB -0.540 41.600 42.059 0.135 0.000 0.910 407 L HN 0.601 nan 8.230 nan 0.000 0.437 408 H N 0.102 119.219 119.070 0.079 0.000 2.326 408 H HA -0.223 4.333 4.556 -0.000 0.000 0.301 408 H C 2.162 177.505 175.328 0.024 0.000 1.081 408 H CA 2.008 58.087 56.048 0.051 0.000 1.334 408 H CB 0.245 30.051 29.762 0.074 0.000 1.385 408 H HN 0.255 nan 8.280 nan 0.000 0.504 409 E N 0.466 120.681 120.200 0.025 0.000 2.038 409 E HA -0.177 4.173 4.350 -0.000 0.000 0.195 409 E C 2.257 178.857 176.600 -0.000 0.000 1.000 409 E CA 1.740 58.129 56.400 -0.019 0.000 0.803 409 E CB -0.690 29.030 29.700 0.033 0.000 0.750 409 E HN 0.518 nan 8.360 nan 0.000 0.448 410 A N -0.393 122.456 122.820 0.049 0.000 1.898 410 A HA -0.137 4.183 4.320 -0.000 0.000 0.216 410 A C 2.481 180.083 177.584 0.029 0.000 1.181 410 A CA 2.058 54.132 52.037 0.062 0.000 0.620 410 A CB -1.060 17.999 19.000 0.098 0.000 0.819 410 A HN 0.404 nan 8.150 nan 0.000 0.442 411 T N 0.257 114.804 114.554 -0.012 0.000 2.708 411 T HA -0.139 4.211 4.350 -0.000 0.000 0.266 411 T C 1.864 176.531 174.700 -0.055 0.000 1.037 411 T CA 1.501 63.581 62.100 -0.033 0.000 1.146 411 T CB -0.453 68.375 68.868 -0.067 0.000 0.865 411 T HN 0.370 nan 8.240 nan 0.000 0.435 412 L N 1.498 122.639 121.223 -0.137 0.000 1.971 412 L HA -0.101 4.239 4.340 -0.000 0.000 0.215 412 L C 2.436 179.298 176.870 -0.014 0.000 1.072 412 L CA 1.780 56.558 54.840 -0.103 0.000 0.758 412 L CB -0.893 41.063 42.059 -0.172 0.000 0.889 412 L HN 0.083 nan 8.230 nan 0.000 0.433 413 V N -0.543 119.370 119.914 -0.003 0.000 2.295 413 V HA -0.250 3.870 4.120 -0.000 0.000 0.246 413 V C 2.496 178.638 176.094 0.080 0.000 1.049 413 V CA 1.782 64.100 62.300 0.029 0.000 1.024 413 V CB -0.714 31.125 31.823 0.026 0.000 0.648 413 V HN 0.539 nan 8.190 nan 0.000 0.447 414 L N 1.221 122.496 121.223 0.087 0.000 2.093 414 L HA 0.045 4.385 4.340 -0.000 0.000 0.208 414 L C 2.345 179.302 176.870 0.144 0.000 1.085 414 L CA 2.277 57.191 54.840 0.124 0.000 0.755 414 L CB -1.298 40.828 42.059 0.112 0.000 0.904 414 L HN 0.268 nan 8.230 nan 0.000 0.435 415 G N -0.576 108.287 108.800 0.105 0.000 2.446 415 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.217 415 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.217 415 G C 1.567 176.549 174.900 0.137 0.000 1.168 415 G CA 1.211 46.374 45.100 0.105 0.000 0.771 415 G HN 0.407 nan 8.290 nan 0.000 0.551 416 M N -0.292 119.399 119.600 0.152 0.000 2.117 416 M HA 0.026 4.506 4.480 -0.000 0.000 0.262 416 M C 2.757 179.276 176.300 0.365 0.000 1.065 416 M CA 1.316 56.762 55.300 0.244 0.000 1.114 416 M CB -0.320 32.399 32.600 0.198 0.000 1.361 416 M HN 0.215 nan 8.290 nan 0.000 0.408 417 M N 0.045 119.867 119.600 0.371 0.000 2.082 417 M HA -0.244 4.236 4.480 -0.000 0.000 0.258 417 M C 2.014 178.738 176.300 0.706 0.000 1.069 417 M CA 1.710 57.394 55.300 0.641 0.000 1.102 417 M CB -0.506 32.411 32.600 0.528 0.000 1.336 417 M HN 0.280 nan 8.290 nan 0.000 0.404 418 L N -0.541 120.955 121.223 0.454 0.000 2.217 418 L HA -0.157 4.183 4.340 -0.000 0.000 0.211 418 L C 2.481 179.467 176.870 0.194 0.000 1.107 418 L CA 0.938 56.001 54.840 0.371 0.000 0.783 418 L CB -0.642 41.572 42.059 0.259 0.000 0.919 418 L HN 0.323 nan 8.230 nan 0.000 0.442 419 K N -0.539 119.915 120.400 0.090 0.000 2.025 419 K HA -0.157 4.163 4.320 -0.000 0.000 0.207 419 K C 2.098 178.512 176.600 -0.310 0.000 1.049 419 K CA 1.184 57.380 56.287 -0.152 0.000 0.933 419 K CB 0.033 32.341 32.500 -0.320 0.000 0.714 419 K HN 0.342 nan 8.250 nan 0.000 0.438 420 H N -1.563 117.438 119.070 -0.116 0.000 2.525 420 H HA 0.125 4.681 4.556 0.000 0.000 0.275 420 H C -0.179 174.664 175.328 -0.808 0.000 0.984 420 H CA 0.606 56.344 56.048 -0.515 0.000 1.264 420 H CB 0.383 29.713 29.762 -0.719 0.000 1.432 420 H HN 0.029 nan 8.280 nan 0.000 0.549 421 F N 0.237 120.226 119.950 0.064 0.000 2.626 421 F HA 0.287 4.814 4.527 -0.000 0.000 0.311 421 F C -0.089 175.520 175.800 -0.319 0.000 1.088 421 F CA -1.193 56.693 58.000 -0.190 0.000 0.949 421 F CB 1.625 40.355 39.000 -0.450 0.000 1.322 421 F HN -0.240 nan 8.300 nan 0.000 0.461 422 D N 0.951 121.251 120.400 -0.168 0.000 2.181 422 D HA 0.432 5.072 4.640 -0.000 0.000 0.248 422 D C -1.122 174.920 176.300 -0.431 0.000 1.020 422 D CA 0.024 53.936 54.000 -0.146 0.000 0.891 422 D CB 1.783 42.559 40.800 -0.039 0.000 1.187 422 D HN 0.160 nan 8.370 nan 0.000 0.443 423 F N 0.548 120.547 119.950 0.081 0.000 2.508 423 F HA 0.278 4.805 4.527 -0.000 0.000 0.325 423 F C 0.685 176.496 175.800 0.018 0.000 1.090 423 F CA -0.792 57.222 58.000 0.024 0.000 0.945 423 F CB 2.019 41.041 39.000 0.038 0.000 1.156 423 F HN 0.100 nan 8.300 nan 0.000 0.463 424 E N 1.523 121.815 120.200 0.154 0.000 2.210 424 E HA 0.153 4.503 4.350 -0.000 0.000 0.266 424 E C -1.571 175.136 176.600 0.178 0.000 0.883 424 E CA -0.678 55.796 56.400 0.122 0.000 0.761 424 E CB 1.522 31.255 29.700 0.054 0.000 1.156 424 E HN 0.582 nan 8.360 nan 0.000 0.412 425 D N 3.560 124.061 120.400 0.168 0.000 2.767 425 D HA -0.020 4.620 4.640 -0.000 0.000 0.241 425 D C 1.074 177.445 176.300 0.119 0.000 1.187 425 D CA -0.150 53.954 54.000 0.173 0.000 0.999 425 D CB -0.044 40.846 40.800 0.150 0.000 1.042 425 D HN 0.594 nan 8.370 nan 0.000 0.510 426 H N 0.584 119.656 119.070 0.003 0.000 2.489 426 H HA -0.105 4.451 4.556 -0.000 0.000 0.293 426 H C 0.997 176.315 175.328 -0.016 0.000 1.066 426 H CA 1.607 57.644 56.048 -0.018 0.000 1.305 426 H CB -0.676 29.057 29.762 -0.048 0.000 1.386 426 H HN 0.305 nan 8.280 nan 0.000 0.551 427 T N -2.688 111.528 114.554 -0.565 0.000 3.069 427 T HA 0.039 4.389 4.350 -0.000 0.000 0.252 427 T C 0.612 175.253 174.700 -0.099 0.000 1.053 427 T CA 0.153 62.048 62.100 -0.342 0.000 0.964 427 T CB -0.512 68.136 68.868 -0.367 0.000 1.005 427 T HN 0.363 nan 8.240 nan 0.000 0.532 428 N N 1.073 119.758 118.700 -0.025 0.000 2.714 428 N HA -0.233 4.507 4.740 -0.000 0.000 0.253 428 N C -0.527 175.024 175.510 0.067 0.000 1.024 428 N CA 0.198 53.265 53.050 0.028 0.000 0.726 428 N CB -2.407 36.079 38.487 -0.002 0.000 0.908 428 N HN 0.770 nan 8.380 nan 0.000 0.542 429 Y N 0.741 121.052 120.300 0.019 0.000 2.895 429 Y HA 0.039 4.589 4.550 -0.000 0.000 0.334 429 Y C 0.763 176.701 175.900 0.063 0.000 1.261 429 Y CA 0.448 58.586 58.100 0.062 0.000 1.560 429 Y CB 0.401 39.001 38.460 0.233 0.000 1.253 429 Y HN 0.334 nan 8.280 nan 0.000 0.582 430 E N 6.822 126.618 120.200 -0.672 0.000 2.081 430 E HA 0.237 4.587 4.350 -0.000 0.000 0.281 430 E C -1.167 174.760 176.600 -1.121 0.000 0.986 430 E CA -1.090 54.938 56.400 -0.621 0.000 0.796 430 E CB 0.521 30.023 29.700 -0.330 0.000 1.085 430 E HN 0.717 nan 8.360 nan 0.000 0.398 431 L N 5.128 125.852 121.223 -0.831 0.000 2.660 431 L HA 0.001 4.341 4.340 -0.000 0.000 0.272 431 L C -0.734 175.855 176.870 -0.469 0.000 1.194 431 L CA 1.091 55.498 54.840 -0.721 0.000 0.945 431 L CB 0.311 42.041 42.059 -0.550 0.000 1.212 431 L HN 0.489 nan 8.230 nan 0.000 0.490 432 D N 5.794 125.990 120.400 -0.340 0.000 2.469 432 D HA 0.267 4.907 4.640 -0.000 0.000 0.251 432 D C -0.653 175.540 176.300 -0.179 0.000 1.173 432 D CA -0.258 53.620 54.000 -0.203 0.000 0.882 432 D CB 0.546 41.278 40.800 -0.114 0.000 1.129 432 D HN 0.463 nan 8.370 nan 0.000 0.549 433 I N 3.689 124.121 120.570 -0.231 0.000 2.281 433 I HA 0.165 4.335 4.170 -0.000 0.000 0.293 433 I C 0.809 176.847 176.117 -0.132 0.000 1.085 433 I CA -0.581 60.586 61.300 -0.221 0.000 1.257 433 I CB 0.624 38.374 38.000 -0.418 0.000 1.430 433 I HN 0.100 nan 8.210 nan 0.000 0.489 434 K N 6.683 127.030 120.400 -0.089 0.000 2.322 434 K HA 0.241 4.561 4.320 -0.000 0.000 0.283 434 K C -0.383 176.205 176.600 -0.021 0.000 1.042 434 K CA -0.265 55.992 56.287 -0.050 0.000 0.958 434 K CB 0.738 33.214 32.500 -0.041 0.000 0.984 434 K HN 0.510 nan 8.250 nan 0.000 0.473 435 E N 2.806 123.000 120.200 -0.009 0.000 2.151 435 E HA 0.151 4.501 4.350 -0.000 0.000 0.275 435 E C -0.238 176.378 176.600 0.028 0.000 0.936 435 E CA -0.477 55.934 56.400 0.018 0.000 0.777 435 E CB 1.850 31.560 29.700 0.015 0.000 1.108 435 E HN 0.825 nan 8.360 nan 0.000 0.401 436 T N -0.537 114.045 114.554 0.046 0.000 2.213 436 T HA 0.118 4.468 4.350 -0.000 0.000 0.184 436 T C 0.857 175.606 174.700 0.080 0.000 0.716 436 T CA -0.597 61.537 62.100 0.057 0.000 1.296 436 T CB -0.168 68.734 68.868 0.057 0.000 2.422 436 T HN 0.234 nan 8.240 nan 0.000 0.446 437 L N 2.445 123.730 121.223 0.104 0.000 2.217 437 L HA 0.293 4.633 4.340 -0.000 0.000 0.211 437 L C 1.042 177.986 176.870 0.122 0.000 1.107 437 L CA 1.689 56.609 54.840 0.133 0.000 0.783 437 L CB -0.899 41.270 42.059 0.183 0.000 0.919 437 L HN 1.020 nan 8.230 nan 0.000 0.442 438 T N -3.545 111.065 114.554 0.092 0.000 2.773 438 T HA 0.572 4.922 4.350 -0.000 0.000 0.278 438 T C -0.333 174.426 174.700 0.099 0.000 1.011 438 T CA -0.890 61.266 62.100 0.093 0.000 1.014 438 T CB 1.293 70.191 68.868 0.050 0.000 1.293 438 T HN -0.047 nan 8.240 nan 0.000 0.554 439 L N 0.879 122.192 121.223 0.149 0.000 2.334 439 L HA 0.776 5.116 4.340 -0.000 0.000 0.273 439 L C -0.310 176.678 176.870 0.196 0.000 1.013 439 L CA -1.067 53.891 54.840 0.196 0.000 0.816 439 L CB 1.751 44.005 42.059 0.326 0.000 1.278 439 L HN 0.927 nan 8.230 nan 0.000 0.431 440 K N 1.185 121.610 120.400 0.040 0.000 2.587 440 K HA 0.438 4.758 4.320 -0.000 0.000 0.276 440 K C -3.030 173.284 176.600 -0.477 0.000 0.956 440 K CA -1.630 54.468 56.287 -0.316 0.000 0.857 440 K CB 2.215 34.592 32.500 -0.205 0.000 1.431 440 K HN 0.134 nan 8.250 nan 0.000 0.420 441 P HA 0.050 nan 4.420 nan 0.000 0.260 441 P C -0.797 176.370 177.300 -0.222 0.000 1.651 441 P CA 0.095 62.863 63.100 -0.553 0.000 1.139 441 P CB 0.434 31.620 31.700 -0.857 0.000 1.756 442 E N 2.636 122.772 120.200 -0.107 0.000 2.465 442 E HA 0.178 4.528 4.350 -0.000 0.000 0.260 442 E C 1.238 177.874 176.600 0.061 0.000 0.980 442 E CA 0.758 57.139 56.400 -0.032 0.000 0.927 442 E CB -0.365 29.323 29.700 -0.021 0.000 0.934 442 E HN 0.685 nan 8.360 nan 0.000 0.459 443 G N 4.021 112.824 108.800 0.004 0.000 2.184 443 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.264 443 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.264 443 G C -0.000 174.806 174.900 -0.156 0.000 0.975 443 G CA 0.108 45.217 45.100 0.016 0.000 0.642 443 G HN 0.581 nan 8.290 nan 0.000 0.536 444 F N 1.250 120.805 119.950 -0.659 0.000 2.602 444 F HA 0.526 5.053 4.527 -0.000 0.000 0.385 444 F C 0.370 175.869 175.800 -0.501 0.000 1.063 444 F CA -0.450 56.858 58.000 -1.153 0.000 1.233 444 F CB 0.873 39.318 39.000 -0.925 0.000 1.067 444 F HN 0.095 nan 8.300 nan 0.000 0.564 445 V N 6.381 125.857 119.914 -0.730 0.000 3.078 445 V HA 0.804 4.924 4.120 -0.000 0.000 0.311 445 V C -1.165 174.652 176.094 -0.463 0.000 1.138 445 V CA -0.719 61.298 62.300 -0.472 0.000 1.007 445 V CB 2.463 34.161 31.823 -0.208 0.000 1.045 445 V HN 0.678 nan 8.190 nan 0.000 0.432 446 V N 3.266 123.049 119.914 -0.219 0.000 3.204 446 V HA 0.519 4.639 4.120 -0.000 0.000 0.298 446 V C -1.149 174.818 176.094 -0.213 0.000 1.328 446 V CA -0.953 61.276 62.300 -0.118 0.000 1.035 446 V CB 2.905 34.483 31.823 -0.409 0.000 1.095 446 V HN 0.881 nan 8.190 nan 0.000 0.442 447 K N 1.860 122.110 120.400 -0.249 0.000 2.207 447 K HA 0.865 5.185 4.320 -0.000 0.000 0.255 447 K C -0.648 175.779 176.600 -0.287 0.000 0.941 447 K CA -0.408 55.657 56.287 -0.370 0.000 0.825 447 K CB 2.153 34.406 32.500 -0.412 0.000 1.119 447 K HN 0.829 nan 8.250 nan 0.000 0.430 448 A N 1.428 124.004 122.820 -0.408 0.000 2.325 448 A HA 0.701 5.021 4.320 -0.000 0.000 0.333 448 A C -0.787 176.640 177.584 -0.263 0.000 1.155 448 A CA -0.734 50.987 52.037 -0.527 0.000 0.814 448 A CB 1.060 19.528 19.000 -0.886 0.000 1.206 448 A HN 0.663 nan 8.150 nan 0.000 0.482 449 K N 1.009 121.312 120.400 -0.162 0.000 2.394 449 K HA 0.683 5.003 4.320 -0.000 0.000 0.260 449 K C 0.091 176.740 176.600 0.082 0.000 0.967 449 K CA -0.039 56.227 56.287 -0.034 0.000 0.855 449 K CB 1.210 33.681 32.500 -0.049 0.000 1.101 449 K HN 1.277 nan 8.250 nan 0.000 0.433 450 S N 1.075 116.864 115.700 0.149 0.000 2.558 450 S HA 0.063 4.533 4.470 -0.000 0.000 0.288 450 S C 0.678 175.250 174.600 -0.048 0.000 1.318 450 S CA 0.171 58.416 58.200 0.076 0.000 1.056 450 S CB 0.337 63.571 63.200 0.055 0.000 0.853 450 S HN 0.606 nan 8.310 nan 0.000 0.505 451 K N 2.168 122.483 120.400 -0.142 0.000 2.404 451 K HA 0.151 4.470 4.320 -0.000 0.000 0.194 451 K C -0.065 176.486 176.600 -0.082 0.000 1.023 451 K CA -0.012 56.215 56.287 -0.100 0.000 1.094 451 K CB -0.039 32.390 32.500 -0.118 0.000 0.841 451 K HN 0.674 nan 8.250 nan 0.000 0.523 452 K N 0.984 121.335 120.400 -0.081 0.000 3.257 452 K HA -0.182 4.138 4.320 -0.000 0.000 0.270 452 K C -0.877 175.702 176.600 -0.036 0.000 0.984 452 K CA 0.474 56.732 56.287 -0.049 0.000 0.739 452 K CB -1.556 30.926 32.500 -0.030 0.000 1.351 452 K HN 0.237 nan 8.250 nan 0.000 0.463 453 I N 1.309 121.867 120.570 -0.020 0.000 2.330 453 I HA 0.214 4.384 4.170 -0.000 0.000 0.286 453 I C -1.980 174.195 176.117 0.096 0.000 1.025 453 I CA -2.422 58.883 61.300 0.009 0.000 1.197 453 I CB 1.113 39.058 38.000 -0.091 0.000 1.358 453 I HN -0.081 nan 8.210 nan 0.000 0.467 454 P HA 0.140 nan 4.420 nan 0.000 0.267 454 P C -0.288 177.046 177.300 0.057 0.000 1.200 454 P CA -0.053 63.063 63.100 0.026 0.000 0.772 454 P CB 0.646 32.350 31.700 0.007 0.000 0.855 455 L N 0.000 121.223 121.223 -0.001 0.000 2.949 455 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 455 L CA 0.000 54.836 54.840 -0.007 0.000 0.813 455 L CB 0.000 42.003 42.059 -0.094 0.000 0.961 455 L HN 0.000 nan 8.230 nan 0.000 0.502