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 2dpy_1_B DATA FIRST_RESID 23 DATA SEQUENCE PAVRRYGRLT RATGLVLEAT GLQLPLGATC IIERQDGPET KEVESEVVGF DATA SEQUENCE NGQRLFLMPL EEVEGILPGA RVYARXXXXX XXXSGKQLPL GPALLGRVLD DATA SEQUENCE GGGKPLDGLP APDTLETGAL ITPPFNPLQR TPIEHVLDTG VRAINALLTV DATA SEQUENCE GRGQRMGLFA GSGVGKSVLL GMMARYTRAD VIVVGLIGER GREVKDFIEN DATA SEQUENCE ILGPDGRARS VVIAAPADVS PLLRMQGAAY ATRIAEDFRD RGQHVLLIMD DATA SEQUENCE SLTRYAMAQR EIALAIGEPP ATKGYPPSVF AKLPALVERA GNGIHGGGSI DATA SEQUENCE TAFYTVLTEG DDQQDPIADS ARAILDGHIV LSRRLAEAGH YPAIDIEASI DATA SEQUENCE SRAMTALITE QHYARVRLFK QLLSSFQRNR DLVSVGAYAK GSDPMLDKAI DATA SEQUENCE TLWPQLEAFL QQGIFERADW EDSLQALDLI FPTV 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 23 P HA 0.000 nan 4.420 nan 0.000 0.216 23 P C 0.000 177.284 177.300 -0.027 0.000 1.155 23 P CA 0.000 63.087 63.100 -0.022 0.000 0.800 23 P CB 0.000 31.686 31.700 -0.023 0.000 0.726 24 A N 0.619 123.422 122.820 -0.029 0.000 2.310 24 A HA 0.540 4.860 4.320 -0.000 0.000 0.300 24 A C 0.471 178.021 177.584 -0.056 0.000 1.269 24 A CA -0.339 51.677 52.037 -0.035 0.000 0.909 24 A CB -0.133 18.852 19.000 -0.024 0.000 1.144 24 A HN 0.424 nan 8.150 nan 0.000 0.540 25 V N 2.828 122.703 119.914 -0.064 0.000 3.611 25 V HA 0.325 4.445 4.120 -0.000 0.000 0.296 25 V C 0.718 176.731 176.094 -0.136 0.000 1.091 25 V CA -0.131 62.113 62.300 -0.093 0.000 1.103 25 V CB 0.926 32.699 31.823 -0.083 0.000 1.157 25 V HN 0.948 nan 8.190 nan 0.000 0.471 26 R N 2.559 122.935 120.500 -0.208 0.000 2.239 26 R HA 0.404 4.744 4.340 -0.000 0.000 0.332 26 R C -0.334 175.725 176.300 -0.402 0.000 0.988 26 R CA -0.399 55.489 56.100 -0.353 0.000 0.859 26 R CB 0.442 30.427 30.300 -0.525 0.000 1.148 26 R HN 0.774 nan 8.270 nan 0.000 0.482 27 R N 3.407 123.751 120.500 -0.261 0.000 2.312 27 R HA 0.309 4.649 4.340 -0.000 0.000 0.311 27 R C -0.917 175.361 176.300 -0.038 0.000 1.004 27 R CA -0.504 55.512 56.100 -0.140 0.000 0.902 27 R CB 1.204 31.482 30.300 -0.037 0.000 1.073 27 R HN 0.479 nan 8.270 nan 0.000 0.457 28 Y N 1.035 121.359 120.300 0.041 0.000 2.335 28 Y HA 0.481 5.032 4.550 0.002 0.000 0.338 28 Y C 0.636 176.573 175.900 0.061 0.000 0.977 28 Y CA -1.187 56.957 58.100 0.073 0.000 1.114 28 Y CB 2.589 41.077 38.460 0.048 0.000 1.182 28 Y HN 0.858 nan 8.280 nan 0.000 0.463 29 G N 3.040 111.999 108.800 0.265 0.000 2.454 29 G HA2 0.677 4.637 3.960 -0.000 0.000 0.329 29 G HA3 0.677 4.637 3.960 -0.000 0.000 0.329 29 G C -1.523 173.423 174.900 0.078 0.000 1.177 29 G CA -1.092 44.086 45.100 0.129 0.000 0.951 29 G HN 0.680 nan 8.290 nan 0.000 0.485 30 R N 1.245 121.771 120.500 0.043 0.000 2.476 30 R HA 0.467 4.807 4.340 -0.000 0.000 0.305 30 R C -1.284 175.026 176.300 0.016 0.000 0.965 30 R CA -0.935 55.174 56.100 0.015 0.000 0.867 30 R CB 1.646 31.951 30.300 0.009 0.000 1.176 30 R HN 0.333 nan 8.270 nan 0.000 0.447 31 L N 2.726 123.954 121.223 0.007 0.000 2.601 31 L HA -0.038 4.302 4.340 -0.000 0.000 0.277 31 L C 1.361 178.242 176.870 0.018 0.000 1.219 31 L CA 1.135 55.983 54.840 0.013 0.000 0.915 31 L CB 1.174 43.234 42.059 0.002 0.000 1.160 31 L HN 1.006 nan 8.230 nan 0.000 0.494 32 T N 3.240 117.813 114.554 0.031 0.000 3.045 32 T HA 0.169 4.519 4.350 -0.000 0.000 0.239 32 T C 0.882 175.600 174.700 0.031 0.000 1.008 32 T CA 0.120 62.239 62.100 0.032 0.000 1.143 32 T CB 0.160 69.055 68.868 0.043 0.000 0.894 32 T HN 0.464 nan 8.240 nan 0.000 0.451 33 R N 1.051 121.575 120.500 0.040 0.000 2.402 33 R HA 0.702 5.042 4.340 -0.000 0.000 0.290 33 R C 0.615 176.927 176.300 0.020 0.000 1.321 33 R CA 0.062 56.179 56.100 0.029 0.000 1.283 33 R CB 0.593 30.915 30.300 0.037 0.000 1.111 33 R HN 0.397 nan 8.270 nan 0.000 0.578 34 A N 1.474 124.300 122.820 0.010 0.000 2.213 34 A HA -0.032 4.288 4.320 -0.000 0.000 0.192 34 A C 0.262 177.842 177.584 -0.005 0.000 1.296 34 A CA 1.089 53.127 52.037 0.002 0.000 0.703 34 A CB -1.026 17.973 19.000 -0.002 0.000 0.941 34 A HN 0.731 nan 8.150 nan 0.000 0.517 35 T N -1.613 112.936 114.554 -0.009 0.000 2.414 35 T HA 0.369 4.719 4.350 -0.000 0.000 0.189 35 T C 0.486 175.173 174.700 -0.021 0.000 1.023 35 T CA 0.905 62.996 62.100 -0.014 0.000 1.182 35 T CB -1.093 67.767 68.868 -0.013 0.000 0.980 35 T HN 2.507 nan 8.240 nan 0.000 0.432 36 G N 1.985 110.769 108.800 -0.026 0.000 2.351 36 G HA2 0.156 4.116 3.960 -0.000 0.000 0.353 36 G HA3 0.156 4.116 3.960 -0.000 0.000 0.353 36 G C 0.149 175.025 174.900 -0.040 0.000 1.358 36 G CA -0.328 44.750 45.100 -0.037 0.000 0.995 36 G HN 1.071 nan 8.290 nan 0.000 0.611 37 L N -0.753 120.439 121.223 -0.052 0.000 2.072 37 L HA 0.368 4.708 4.340 -0.000 0.000 0.205 37 L C 1.094 177.932 176.870 -0.053 0.000 1.079 37 L CA 1.650 56.458 54.840 -0.052 0.000 0.752 37 L CB -0.053 41.968 42.059 -0.063 0.000 0.906 37 L HN 0.642 nan 8.230 nan 0.000 0.436 38 V N 1.095 120.965 119.914 -0.074 0.000 2.448 38 V HA 0.354 4.474 4.120 -0.000 0.000 0.295 38 V C -0.096 175.968 176.094 -0.050 0.000 1.025 38 V CA -0.873 61.385 62.300 -0.071 0.000 0.859 38 V CB 1.710 33.449 31.823 -0.140 0.000 0.988 38 V HN 0.079 nan 8.190 nan 0.000 0.431 39 L N 4.988 126.211 121.223 0.001 0.000 2.454 39 L HA 0.662 5.002 4.340 -0.000 0.000 0.256 39 L C 0.113 177.041 176.870 0.096 0.000 1.136 39 L CA -0.440 54.417 54.840 0.027 0.000 0.804 39 L CB 1.095 43.168 42.059 0.024 0.000 1.181 39 L HN 0.669 nan 8.230 nan 0.000 0.469 40 E N 0.401 120.667 120.200 0.111 0.000 2.248 40 E HA 0.678 5.028 4.350 -0.000 0.000 0.267 40 E C -1.712 174.956 176.600 0.113 0.000 0.877 40 E CA -0.816 55.699 56.400 0.191 0.000 0.759 40 E CB 2.205 32.032 29.700 0.212 0.000 1.182 40 E HN 0.651 nan 8.360 nan 0.000 0.418 41 A N 3.432 126.313 122.820 0.103 0.000 2.457 41 A HA 0.382 4.702 4.320 -0.000 0.000 0.283 41 A C -0.367 177.241 177.584 0.040 0.000 1.166 41 A CA -0.564 51.507 52.037 0.057 0.000 0.740 41 A CB 1.672 20.698 19.000 0.043 0.000 1.181 41 A HN 0.520 nan 8.150 nan 0.000 0.446 42 T N 0.630 115.205 114.554 0.035 0.000 2.847 42 T HA 0.527 4.877 4.350 -0.000 0.000 0.279 42 T C 1.486 176.197 174.700 0.018 0.000 0.984 42 T CA 1.438 63.550 62.100 0.019 0.000 0.988 42 T CB 0.621 69.502 68.868 0.023 0.000 1.040 42 T HN 2.326 nan 8.240 nan 0.000 0.528 43 G N 0.542 109.347 108.800 0.007 0.000 2.184 43 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.264 43 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.264 43 G C -0.210 174.700 174.900 0.017 0.000 0.975 43 G CA 0.537 45.645 45.100 0.015 0.000 0.642 43 G HN 0.856 nan 8.290 nan 0.000 0.536 44 L N -0.337 120.890 121.223 0.006 0.000 2.370 44 L HA 0.797 5.137 4.340 -0.000 0.000 0.266 44 L C -0.356 176.491 176.870 -0.038 0.000 1.002 44 L CA -1.063 53.781 54.840 0.007 0.000 0.818 44 L CB 2.126 44.209 42.059 0.041 0.000 1.325 44 L HN 0.159 nan 8.230 nan 0.000 0.418 45 Q N 3.994 123.766 119.800 -0.047 0.000 2.454 45 Q HA 0.485 4.825 4.340 -0.000 0.000 0.255 45 Q C -1.823 174.133 176.000 -0.072 0.000 1.034 45 Q CA -0.513 55.231 55.803 -0.097 0.000 0.736 45 Q CB 1.036 29.708 28.738 -0.110 0.000 1.210 45 Q HN 0.516 nan 8.270 nan 0.000 0.500 46 L N 4.008 125.191 121.223 -0.067 0.000 2.342 46 L HA 0.650 4.990 4.340 -0.000 0.000 0.271 46 L C -2.115 174.745 176.870 -0.017 0.000 1.008 46 L CA -1.916 52.909 54.840 -0.024 0.000 0.818 46 L CB 1.466 43.531 42.059 0.009 0.000 1.296 46 L HN 0.543 nan 8.230 nan 0.000 0.427 47 P HA 0.205 nan 4.420 nan 0.000 0.270 47 P C -0.385 176.972 177.300 0.094 0.000 1.223 47 P CA -0.399 62.727 63.100 0.043 0.000 0.785 47 P CB 0.575 32.296 31.700 0.034 0.000 0.923 48 L N 1.241 122.552 121.223 0.146 0.000 2.456 48 L HA 0.262 4.602 4.340 -0.000 0.000 0.272 48 L C 1.530 178.451 176.870 0.085 0.000 1.189 48 L CA 0.631 55.559 54.840 0.146 0.000 0.846 48 L CB -0.412 41.733 42.059 0.144 0.000 1.111 48 L HN 0.813 nan 8.230 nan 0.000 0.475 49 G N 2.274 111.117 108.800 0.072 0.000 2.160 49 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.251 49 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.251 49 G C 0.203 175.129 174.900 0.045 0.000 1.008 49 G CA 0.077 45.208 45.100 0.052 0.000 0.724 49 G HN 0.945 nan 8.290 nan 0.000 0.514 50 A N -0.129 122.720 122.820 0.048 0.000 2.279 50 A HA 0.830 5.150 4.320 -0.000 0.000 0.303 50 A C 0.942 178.542 177.584 0.027 0.000 1.108 50 A CA 0.646 52.705 52.037 0.036 0.000 0.830 50 A CB 0.587 19.610 19.000 0.037 0.000 1.106 50 A HN 1.530 nan 8.150 nan 0.000 0.493 51 T N -0.294 114.271 114.554 0.018 0.000 3.316 51 T HA 0.344 4.694 4.350 -0.000 0.000 0.341 51 T C 0.252 174.949 174.700 -0.004 0.000 1.397 51 T CA -0.517 61.587 62.100 0.006 0.000 1.085 51 T CB -0.811 68.059 68.868 0.003 0.000 1.160 51 T HN 0.716 nan 8.240 nan 0.000 0.694 52 C N 3.197 122.492 119.300 -0.008 0.000 2.767 52 C HA 0.557 5.017 4.460 -0.000 0.000 0.353 52 C C 0.223 175.161 174.990 -0.085 0.000 1.376 52 C CA -0.549 58.449 59.018 -0.032 0.000 2.284 52 C CB -0.804 26.925 27.740 -0.018 0.000 2.535 52 C HN 0.872 nan 8.230 nan 0.000 0.745 53 I N 3.539 124.000 120.570 -0.181 0.000 2.534 53 I HA 0.308 4.478 4.170 -0.000 0.000 0.286 53 I C -0.687 175.185 176.117 -0.408 0.000 1.094 53 I CA -0.330 60.794 61.300 -0.294 0.000 1.055 53 I CB 1.344 39.113 38.000 -0.385 0.000 1.225 53 I HN 0.521 nan 8.210 nan 0.000 0.435 54 I N 6.193 126.620 120.570 -0.239 0.000 2.342 54 I HA 0.267 4.437 4.170 -0.000 0.000 0.291 54 I C 0.103 176.124 176.117 -0.160 0.000 1.010 54 I CA 0.359 61.550 61.300 -0.182 0.000 1.308 54 I CB 1.107 39.053 38.000 -0.091 0.000 1.400 54 I HN 0.572 nan 8.210 nan 0.000 0.488 55 E N 7.745 127.870 120.200 -0.125 0.000 2.115 55 E HA 0.291 4.640 4.350 -0.000 0.000 0.282 55 E C -0.831 175.761 176.600 -0.014 0.000 0.987 55 E CA -0.782 55.603 56.400 -0.025 0.000 0.797 55 E CB 0.635 30.397 29.700 0.104 0.000 1.086 55 E HN 0.535 nan 8.360 nan 0.000 0.397 56 R N 3.575 124.070 120.500 -0.008 0.000 2.832 56 R HA 0.256 4.596 4.340 -0.000 0.000 0.271 56 R C -1.172 175.129 176.300 0.002 0.000 0.996 56 R CA -0.604 55.491 56.100 -0.007 0.000 0.977 56 R CB 1.572 31.865 30.300 -0.012 0.000 1.168 56 R HN 0.539 nan 8.270 nan 0.000 0.482 57 Q N 2.273 122.072 119.800 -0.000 0.000 2.466 57 Q HA 0.127 4.466 4.340 -0.000 0.000 0.242 57 Q C -0.964 175.037 176.000 0.002 0.000 1.046 57 Q CA -0.353 55.452 55.803 0.003 0.000 0.841 57 Q CB 1.277 30.015 28.738 -0.000 0.000 1.193 57 Q HN 0.494 nan 8.270 nan 0.000 0.508 58 D N 2.134 122.537 120.400 0.004 0.000 2.597 58 D HA 0.271 4.911 4.640 -0.000 0.000 0.228 58 D C 0.864 177.166 176.300 0.003 0.000 1.120 58 D CA 1.155 55.157 54.000 0.003 0.000 1.083 58 D CB -0.162 40.640 40.800 0.004 0.000 1.116 58 D HN 0.757 nan 8.370 nan 0.000 0.487 59 G N 3.291 112.092 108.800 0.002 0.000 2.512 59 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.240 59 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.240 59 G C -1.873 173.028 174.900 0.002 0.000 1.246 59 G CA -0.258 44.843 45.100 0.002 0.000 0.919 59 G HN 0.344 nan 8.290 nan 0.000 0.577 60 P HA 0.241 nan 4.420 nan 0.000 0.259 60 P C 0.134 177.438 177.300 0.006 0.000 1.480 60 P CA 0.716 63.818 63.100 0.004 0.000 0.842 60 P CB 0.303 32.005 31.700 0.003 0.000 1.513 61 E N 0.280 120.484 120.200 0.007 0.000 2.248 61 E HA 0.284 4.634 4.350 -0.000 0.000 0.272 61 E C -0.496 176.112 176.600 0.014 0.000 1.008 61 E CA -0.690 55.717 56.400 0.010 0.000 0.856 61 E CB 0.904 30.610 29.700 0.009 0.000 1.120 61 E HN -0.262 nan 8.360 nan 0.000 0.397 62 T N 3.230 117.796 114.554 0.020 0.000 2.875 62 T HA 0.211 4.561 4.350 -0.000 0.000 0.307 62 T C -0.498 174.221 174.700 0.031 0.000 1.013 62 T CA -0.530 61.589 62.100 0.031 0.000 0.970 62 T CB -0.370 68.524 68.868 0.042 0.000 0.986 62 T HN 0.366 nan 8.240 nan 0.000 0.536 63 K N 4.730 125.145 120.400 0.024 0.000 2.276 63 K HA 0.242 4.562 4.320 -0.000 0.000 0.285 63 K C 0.047 176.657 176.600 0.016 0.000 1.062 63 K CA -0.568 55.729 56.287 0.016 0.000 0.918 63 K CB 0.500 33.003 32.500 0.005 0.000 1.055 63 K HN 0.717 nan 8.250 nan 0.000 0.477 64 E N 2.915 123.124 120.200 0.015 0.000 2.109 64 E HA 0.258 4.608 4.350 -0.000 0.000 0.278 64 E C -0.986 175.603 176.600 -0.019 0.000 0.954 64 E CA -1.003 55.400 56.400 0.004 0.000 0.779 64 E CB 1.567 31.283 29.700 0.027 0.000 1.093 64 E HN 0.095 nan 8.360 nan 0.000 0.401 65 V N 3.911 123.798 119.914 -0.045 0.000 2.326 65 V HA 0.116 4.236 4.120 -0.000 0.000 0.281 65 V C 0.169 176.227 176.094 -0.060 0.000 1.015 65 V CA -0.848 61.426 62.300 -0.044 0.000 0.823 65 V CB 0.648 32.447 31.823 -0.040 0.000 1.009 65 V HN 0.791 nan 8.190 nan 0.000 0.436 66 E N 4.307 124.481 120.200 -0.044 0.000 2.366 66 E HA 0.620 4.970 4.350 -0.000 0.000 0.266 66 E C 0.100 176.679 176.600 -0.035 0.000 1.051 66 E CA -0.271 56.102 56.400 -0.044 0.000 0.884 66 E CB 1.566 31.249 29.700 -0.029 0.000 1.006 66 E HN 0.655 nan 8.360 nan 0.000 0.417 67 S N 1.772 117.452 115.700 -0.033 0.000 3.629 67 S HA 0.522 4.992 4.470 -0.000 0.000 0.319 67 S C -0.869 173.728 174.600 -0.006 0.000 1.149 67 S CA -0.814 57.376 58.200 -0.018 0.000 1.099 67 S CB 1.381 64.571 63.200 -0.017 0.000 1.433 67 S HN 0.768 nan 8.310 nan 0.000 0.736 68 E N -0.350 119.854 120.200 0.008 0.000 2.451 68 E HA 0.398 4.748 4.350 -0.000 0.000 0.295 68 E C -1.973 174.653 176.600 0.043 0.000 0.966 68 E CA -0.820 55.593 56.400 0.021 0.000 0.808 68 E CB 2.249 31.960 29.700 0.018 0.000 1.242 68 E HN 0.688 nan 8.360 nan 0.000 0.412 69 V N 6.087 126.036 119.914 0.057 0.000 2.415 69 V HA 0.163 4.283 4.120 -0.000 0.000 0.267 69 V C 0.739 176.891 176.094 0.097 0.000 1.042 69 V CA 0.613 62.967 62.300 0.090 0.000 1.000 69 V CB 0.901 32.782 31.823 0.096 0.000 1.015 69 V HN 0.614 nan 8.190 nan 0.000 0.478 70 V N 4.428 124.414 119.914 0.120 0.000 3.590 70 V HA 0.752 4.872 4.120 -0.000 0.000 0.265 70 V C 0.828 176.989 176.094 0.112 0.000 1.239 70 V CA 0.933 63.292 62.300 0.098 0.000 1.117 70 V CB -0.660 31.210 31.823 0.078 0.000 0.818 70 V HN 1.293 nan 8.190 nan 0.000 0.451 71 G N 0.299 109.192 108.800 0.156 0.000 2.322 71 G HA2 0.538 4.498 3.960 -0.000 0.000 0.295 71 G HA3 0.538 4.498 3.960 -0.000 0.000 0.295 71 G C -1.508 173.291 174.900 -0.167 0.000 1.369 71 G CA -0.262 44.843 45.100 0.009 0.000 0.821 71 G HN 0.946 nan 8.290 nan 0.000 0.536 72 F N -1.448 118.279 119.950 -0.371 0.000 2.654 72 F HA 0.812 5.339 4.527 -0.001 0.000 0.308 72 F C -1.232 174.263 175.800 -0.508 0.000 1.108 72 F CA -1.343 56.253 58.000 -0.674 0.000 0.957 72 F CB 2.295 41.090 39.000 -0.340 0.000 1.309 72 F HN 0.488 nan 8.300 nan 0.000 0.446 73 N N 1.563 120.106 118.700 -0.262 0.000 2.648 73 N HA 0.470 5.210 4.740 -0.000 0.000 0.261 73 N C 0.290 175.811 175.510 0.020 0.000 1.138 73 N CA 0.729 53.754 53.050 -0.041 0.000 0.804 73 N CB 1.479 39.979 38.487 0.021 0.000 1.237 73 N HN 1.353 nan 8.380 nan 0.000 0.532 74 G N 2.939 111.792 108.800 0.089 0.000 2.574 74 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.301 74 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.301 74 G C 0.024 174.906 174.900 -0.030 0.000 1.166 74 G CA 0.184 45.301 45.100 0.028 0.000 0.971 74 G HN 0.530 nan 8.290 nan 0.000 0.542 75 Q N 1.513 121.296 119.800 -0.029 0.000 2.465 75 Q HA 0.563 4.903 4.340 -0.000 0.000 0.361 75 Q C 0.242 176.221 176.000 -0.036 0.000 0.957 75 Q CA 0.256 56.032 55.803 -0.045 0.000 1.065 75 Q CB 0.326 29.049 28.738 -0.026 0.000 1.274 75 Q HN 0.456 nan 8.270 nan 0.000 0.421 76 R N 0.354 120.812 120.500 -0.070 0.000 2.545 76 R HA 0.309 4.649 4.340 -0.000 0.000 0.289 76 R C -1.340 174.808 176.300 -0.253 0.000 1.327 76 R CA -0.797 55.258 56.100 -0.075 0.000 1.040 76 R CB 1.125 31.432 30.300 0.011 0.000 1.176 76 R HN 0.122 nan 8.270 nan 0.000 0.518 77 L N 3.430 124.582 121.223 -0.118 0.000 2.349 77 L HA 0.419 4.759 4.340 -0.000 0.000 0.275 77 L C -0.919 175.977 176.870 0.043 0.000 1.115 77 L CA 0.370 55.148 54.840 -0.105 0.000 0.820 77 L CB 0.403 42.454 42.059 -0.012 0.000 1.135 77 L HN 0.428 nan 8.230 nan 0.000 0.445 78 F N 6.004 126.007 119.950 0.089 0.000 2.405 78 F HA 0.442 4.969 4.527 -0.000 0.000 0.355 78 F C -0.114 175.705 175.800 0.032 0.000 1.121 78 F CA -0.922 57.104 58.000 0.044 0.000 1.112 78 F CB 0.769 39.784 39.000 0.025 0.000 1.126 78 F HN 0.215 nan 8.300 nan 0.000 0.481 79 L N 4.494 125.841 121.223 0.207 0.000 2.333 79 L HA 0.676 5.016 4.340 -0.000 0.000 0.269 79 L C -0.593 176.313 176.870 0.060 0.000 1.010 79 L CA -0.945 53.957 54.840 0.103 0.000 0.818 79 L CB 2.389 44.487 42.059 0.064 0.000 1.306 79 L HN 0.680 nan 8.230 nan 0.000 0.430 80 M N 3.160 122.781 119.600 0.034 0.000 2.224 80 M HA 0.455 4.935 4.480 -0.000 0.000 0.281 80 M C -2.727 173.573 176.300 -0.000 0.000 1.025 80 M CA -1.455 53.851 55.300 0.010 0.000 0.954 80 M CB 3.053 35.656 32.600 0.005 0.000 1.639 80 M HN 0.186 nan 8.290 nan 0.000 0.461 81 P HA 0.151 nan 4.420 nan 0.000 0.272 81 P C -0.456 176.837 177.300 -0.012 0.000 1.223 81 P CA -0.137 62.955 63.100 -0.013 0.000 0.784 81 P CB 0.557 32.248 31.700 -0.015 0.000 0.923 82 L N 0.957 122.171 121.223 -0.014 0.000 2.818 82 L HA 0.289 4.629 4.340 -0.000 0.000 0.243 82 L C 0.923 177.786 176.870 -0.012 0.000 1.185 82 L CA 0.441 55.274 54.840 -0.012 0.000 0.988 82 L CB -0.264 41.786 42.059 -0.015 0.000 1.292 82 L HN 0.466 nan 8.230 nan 0.000 0.519 83 E N -0.835 119.358 120.200 -0.012 0.000 3.240 83 E HA 0.359 4.709 4.350 -0.000 0.000 0.103 83 E C -0.729 175.865 176.600 -0.011 0.000 1.246 83 E CA -0.786 55.608 56.400 -0.010 0.000 0.790 83 E CB 1.105 30.799 29.700 -0.011 0.000 2.027 83 E HN 0.033 nan 8.360 nan 0.000 0.511 84 E N 0.778 120.972 120.200 -0.011 0.000 2.266 84 E HA 0.475 4.824 4.350 -0.000 0.000 0.268 84 E C -1.511 175.082 176.600 -0.012 0.000 0.879 84 E CA -0.562 55.832 56.400 -0.011 0.000 0.762 84 E CB 2.929 32.625 29.700 -0.008 0.000 1.199 84 E HN 0.004 nan 8.360 nan 0.000 0.422 85 V N 4.055 123.961 119.914 -0.012 0.000 2.313 85 V HA 0.132 4.252 4.120 -0.000 0.000 0.278 85 V C 0.499 176.586 176.094 -0.011 0.000 1.017 85 V CA -0.212 62.081 62.300 -0.013 0.000 0.823 85 V CB 0.968 32.783 31.823 -0.014 0.000 1.010 85 V HN 0.742 nan 8.190 nan 0.000 0.443 86 E N 3.955 124.149 120.200 -0.010 0.000 2.684 86 E HA 0.146 4.496 4.350 -0.000 0.000 0.204 86 E C 1.400 177.995 176.600 -0.007 0.000 0.900 86 E CA 0.932 57.328 56.400 -0.008 0.000 1.481 86 E CB 0.308 30.004 29.700 -0.007 0.000 1.468 86 E HN 0.556 nan 8.360 nan 0.000 0.778 87 G N 1.620 110.415 108.800 -0.007 0.000 3.126 87 G HA2 0.278 4.238 3.960 -0.000 0.000 0.224 87 G HA3 0.278 4.238 3.960 -0.000 0.000 0.224 87 G C 0.559 175.454 174.900 -0.008 0.000 1.142 87 G CA -0.391 44.704 45.100 -0.007 0.000 0.759 87 G HN 0.110 nan 8.290 nan 0.000 0.550 88 I N 2.761 123.325 120.570 -0.010 0.000 2.574 88 I HA 0.081 4.251 4.170 -0.000 0.000 0.291 88 I C 0.453 176.564 176.117 -0.011 0.000 1.131 88 I CA -0.069 61.223 61.300 -0.013 0.000 1.352 88 I CB 0.342 38.332 38.000 -0.015 0.000 1.431 88 I HN -0.055 nan 8.210 nan 0.000 0.543 89 L N 8.633 129.850 121.223 -0.011 0.000 2.476 89 L HA 0.220 4.560 4.340 -0.000 0.000 0.264 89 L C -1.771 175.095 176.870 -0.008 0.000 1.224 89 L CA -1.556 53.279 54.840 -0.009 0.000 0.821 89 L CB -0.057 41.996 42.059 -0.010 0.000 1.101 89 L HN 0.412 nan 8.230 nan 0.000 0.488 90 P HA 0.157 nan 4.420 nan 0.000 0.280 90 P C 0.382 177.680 177.300 -0.003 0.000 1.386 90 P CA 0.229 63.327 63.100 -0.002 0.000 0.899 90 P CB 0.980 32.680 31.700 -0.000 0.000 1.098 91 G N 2.747 111.544 108.800 -0.004 0.000 2.367 91 G HA2 -0.065 3.895 3.960 -0.000 0.000 0.181 91 G HA3 -0.065 3.895 3.960 -0.000 0.000 0.181 91 G C 0.361 175.250 174.900 -0.018 0.000 1.000 91 G CA -0.077 45.019 45.100 -0.007 0.000 0.693 91 G HN 0.755 nan 8.290 nan 0.000 0.480 92 A N 1.034 123.842 122.820 -0.020 0.000 2.609 92 A HA 0.460 4.780 4.320 -0.000 0.000 0.232 92 A C 0.923 178.484 177.584 -0.039 0.000 1.041 92 A CA 0.766 52.785 52.037 -0.030 0.000 0.753 92 A CB 0.052 19.037 19.000 -0.025 0.000 0.966 92 A HN 0.610 nan 8.150 nan 0.000 0.510 93 R N -0.129 120.334 120.500 -0.061 0.000 2.641 93 R HA 0.435 4.775 4.340 -0.000 0.000 0.269 93 R C -0.286 175.995 176.300 -0.032 0.000 1.074 93 R CA -0.043 56.011 56.100 -0.076 0.000 1.133 93 R CB 0.628 30.802 30.300 -0.211 0.000 1.029 93 R HN 0.683 nan 8.270 nan 0.000 0.488 94 V N -0.073 119.848 119.914 0.012 0.000 2.841 94 V HA 0.717 4.837 4.120 -0.000 0.000 0.310 94 V C -1.062 175.104 176.094 0.120 0.000 1.090 94 V CA -1.012 61.260 62.300 -0.046 0.000 0.930 94 V CB 1.406 33.209 31.823 -0.033 0.000 1.014 94 V HN 0.926 nan 8.190 nan 0.000 0.425 95 Y N 1.596 121.961 120.300 0.109 0.000 2.905 95 Y HA 0.953 5.503 4.550 -0.001 0.000 0.322 95 Y C 0.697 176.648 175.900 0.086 0.000 1.455 95 Y CA -0.897 57.296 58.100 0.154 0.000 1.083 95 Y CB 0.397 39.044 38.460 0.312 0.000 1.473 95 Y HN 1.009 nan 8.280 nan 0.000 0.449 96 A N 1.343 124.420 122.820 0.428 0.000 2.974 96 A HA 0.478 4.798 4.320 -0.000 0.000 0.295 96 A C 0.409 178.142 177.584 0.248 0.000 1.068 96 A CA 1.504 53.690 52.037 0.247 0.000 1.333 96 A CB -0.447 18.648 19.000 0.158 0.000 1.196 96 A HN 1.002 nan 8.150 nan 0.000 0.597 107 G N 1.563 110.375 108.800 0.021 0.000 3.988 107 G HA2 0.123 4.083 3.960 -0.000 0.000 0.195 107 G HA3 0.123 4.083 3.960 -0.000 0.000 0.195 107 G C 0.089 174.997 174.900 0.013 0.000 1.060 107 G CA -0.238 44.876 45.100 0.024 0.000 0.847 107 G HN 0.555 nan 8.290 nan 0.000 0.515 108 K N 0.151 120.553 120.400 0.002 0.000 2.229 108 K HA 0.418 4.738 4.320 -0.000 0.000 0.250 108 K C -0.457 176.133 176.600 -0.017 0.000 1.016 108 K CA -0.048 56.234 56.287 -0.009 0.000 0.866 108 K CB 0.503 32.990 32.500 -0.020 0.000 1.028 108 K HN -0.027 nan 8.250 nan 0.000 0.514 109 Q N 0.627 120.414 119.800 -0.023 0.000 2.278 109 Q HA 0.438 4.778 4.340 -0.000 0.000 0.257 109 Q C -1.141 174.826 176.000 -0.055 0.000 0.928 109 Q CA -0.176 55.612 55.803 -0.025 0.000 0.932 109 Q CB 1.181 29.911 28.738 -0.013 0.000 1.221 109 Q HN 0.510 nan 8.270 nan 0.000 0.434 110 L N 4.394 125.578 121.223 -0.065 0.000 2.371 110 L HA 0.660 4.999 4.340 -0.000 0.000 0.262 110 L C -2.243 174.614 176.870 -0.021 0.000 1.006 110 L CA -2.600 52.167 54.840 -0.122 0.000 0.818 110 L CB 2.177 44.029 42.059 -0.344 0.000 1.354 110 L HN 0.482 nan 8.230 nan 0.000 0.415 111 P HA 0.248 nan 4.420 nan 0.000 0.269 111 P C -1.381 176.001 177.300 0.138 0.000 1.217 111 P CA 0.018 63.160 63.100 0.071 0.000 0.783 111 P CB 0.511 32.261 31.700 0.084 0.000 0.898 112 L N -2.542 118.713 121.223 0.053 0.000 3.075 112 L HA 0.872 5.212 4.340 -0.000 0.000 0.274 112 L C -0.336 176.464 176.870 -0.117 0.000 1.006 112 L CA -0.521 54.306 54.840 -0.023 0.000 0.972 112 L CB 0.492 42.531 42.059 -0.033 0.000 1.515 112 L HN 0.775 nan 8.230 nan 0.000 0.402 113 G N -0.980 107.649 108.800 -0.287 0.000 2.423 113 G HA2 0.199 4.159 3.960 -0.000 0.000 0.684 113 G HA3 0.199 4.159 3.960 -0.000 0.000 0.684 113 G C -2.664 172.119 174.900 -0.195 0.000 1.309 113 G CA -0.152 44.776 45.100 -0.287 0.000 0.950 113 G HN 0.666 nan 8.290 nan 0.000 0.587 114 P HA -0.089 nan 4.420 nan 0.000 0.217 114 P C 2.272 179.629 177.300 0.095 0.000 1.148 114 P CA 2.936 66.092 63.100 0.094 0.000 0.834 114 P CB -0.003 31.739 31.700 0.070 0.000 0.783 115 A N -0.645 122.201 122.820 0.044 0.000 1.927 115 A HA -0.231 4.089 4.320 -0.000 0.000 0.220 115 A C 1.963 179.589 177.584 0.070 0.000 1.185 115 A CA 1.725 53.791 52.037 0.047 0.000 0.639 115 A CB -1.706 17.312 19.000 0.030 0.000 0.820 115 A HN 0.106 nan 8.150 nan 0.000 0.451 116 L N -0.351 120.925 121.223 0.088 0.000 2.263 116 L HA -0.101 4.239 4.340 -0.000 0.000 0.216 116 L C 1.266 178.208 176.870 0.121 0.000 1.111 116 L CA 0.839 55.746 54.840 0.112 0.000 0.773 116 L CB -1.052 41.087 42.059 0.133 0.000 0.906 116 L HN 0.370 nan 8.230 nan 0.000 0.439 117 L N -0.682 120.625 121.223 0.141 0.000 2.503 117 L HA 0.038 4.378 4.340 -0.000 0.000 0.287 117 L C 1.687 178.585 176.870 0.048 0.000 1.252 117 L CA 0.659 55.550 54.840 0.084 0.000 0.835 117 L CB -0.482 41.621 42.059 0.073 0.000 1.099 117 L HN 0.459 nan 8.230 nan 0.000 0.516 118 G N 0.921 109.735 108.800 0.023 0.000 2.225 118 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.272 118 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.272 118 G C 0.449 175.365 174.900 0.027 0.000 0.996 118 G CA 0.351 45.462 45.100 0.019 0.000 0.710 118 G HN 0.508 nan 8.290 nan 0.000 0.522 119 R N -1.208 119.313 120.500 0.035 0.000 2.856 119 R HA 0.763 5.103 4.340 -0.000 0.000 0.258 119 R C -0.418 175.904 176.300 0.037 0.000 1.066 119 R CA -0.782 55.342 56.100 0.039 0.000 1.045 119 R CB 1.708 32.038 30.300 0.050 0.000 1.178 119 R HN 0.225 nan 8.270 nan 0.000 0.499 120 V N 2.594 122.533 119.914 0.041 0.000 2.525 120 V HA 0.503 4.623 4.120 -0.000 0.000 0.299 120 V C -0.288 175.840 176.094 0.056 0.000 1.034 120 V CA -0.656 61.668 62.300 0.041 0.000 0.863 120 V CB 1.810 33.656 31.823 0.038 0.000 0.999 120 V HN 0.467 nan 8.190 nan 0.000 0.423 121 L N 3.293 124.559 121.223 0.071 0.000 2.303 121 L HA 0.710 5.050 4.340 -0.000 0.000 0.256 121 L C -0.458 176.484 176.870 0.119 0.000 1.034 121 L CA -0.911 53.994 54.840 0.109 0.000 0.832 121 L CB 2.273 44.440 42.059 0.180 0.000 1.403 121 L HN 0.725 nan 8.230 nan 0.000 0.419 122 D N -0.163 120.311 120.400 0.123 0.000 2.506 122 D HA 0.114 4.754 4.640 -0.000 0.000 0.272 122 D C 1.047 177.458 176.300 0.185 0.000 1.214 122 D CA -0.203 53.864 54.000 0.111 0.000 1.067 122 D CB 0.968 41.807 40.800 0.064 0.000 1.117 122 D HN 0.580 nan 8.370 nan 0.000 0.578 123 G N -1.463 107.425 108.800 0.146 0.000 2.498 123 G HA2 -0.036 3.924 3.960 -0.000 0.000 0.219 123 G HA3 -0.036 3.924 3.960 -0.000 0.000 0.219 123 G C 1.191 176.083 174.900 -0.014 0.000 1.119 123 G CA 0.596 45.804 45.100 0.181 0.000 0.766 123 G HN 0.625 nan 8.290 nan 0.000 0.552 124 G N -1.147 107.617 108.800 -0.060 0.000 3.088 124 G HA2 0.403 4.363 3.960 -0.000 0.000 0.217 124 G HA3 0.403 4.363 3.960 -0.000 0.000 0.217 124 G C 1.182 175.948 174.900 -0.223 0.000 1.159 124 G CA 0.470 45.468 45.100 -0.171 0.000 0.760 124 G HN 1.246 nan 8.290 nan 0.000 0.550 125 G N 0.111 108.825 108.800 -0.143 0.000 2.234 125 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.235 125 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.235 125 G C 0.523 175.456 174.900 0.055 0.000 0.997 125 G CA 0.136 45.227 45.100 -0.014 0.000 0.623 125 G HN 0.543 nan 8.290 nan 0.000 0.514 126 K N 1.731 122.147 120.400 0.027 0.000 2.401 126 K HA 0.354 4.674 4.320 -0.000 0.000 0.278 126 K C -2.335 174.296 176.600 0.052 0.000 1.018 126 K CA -1.320 54.986 56.287 0.031 0.000 0.981 126 K CB 0.550 33.060 32.500 0.016 0.000 0.933 126 K HN 0.108 nan 8.250 nan 0.000 0.477 127 P HA -0.052 nan 4.420 nan 0.000 0.266 127 P C -0.078 177.247 177.300 0.041 0.000 1.195 127 P CA 0.393 63.520 63.100 0.046 0.000 0.768 127 P CB 0.487 32.208 31.700 0.036 0.000 0.838 128 L N 1.238 122.486 121.223 0.042 0.000 2.993 128 L HA 0.084 4.424 4.340 -0.000 0.000 0.264 128 L C 1.363 178.252 176.870 0.032 0.000 1.154 128 L CA 0.175 55.036 54.840 0.036 0.000 0.972 128 L CB 0.087 42.170 42.059 0.040 0.000 1.373 128 L HN 0.332 nan 8.230 nan 0.000 0.564 129 D N 0.099 120.519 120.400 0.033 0.000 2.106 129 D HA -0.010 4.630 4.640 -0.000 0.000 0.203 129 D C 1.557 177.872 176.300 0.025 0.000 0.977 129 D CA 1.632 55.650 54.000 0.029 0.000 0.844 129 D CB -0.117 40.701 40.800 0.030 0.000 1.002 129 D HN 0.155 nan 8.370 nan 0.000 0.461 130 G N -1.250 107.565 108.800 0.024 0.000 3.827 130 G HA2 0.046 4.006 3.960 -0.000 0.000 0.218 130 G HA3 0.046 4.006 3.960 -0.000 0.000 0.218 130 G C -0.037 174.875 174.900 0.019 0.000 0.892 130 G CA -0.156 44.956 45.100 0.020 0.000 0.857 130 G HN 0.167 nan 8.290 nan 0.000 0.508 131 L N 2.327 123.563 121.223 0.021 0.000 2.482 131 L HA 0.545 4.885 4.340 -0.000 0.000 0.242 131 L C -1.360 175.523 176.870 0.022 0.000 1.210 131 L CA -1.581 53.272 54.840 0.020 0.000 0.819 131 L CB -0.127 41.945 42.059 0.022 0.000 1.203 131 L HN 0.056 nan 8.230 nan 0.000 0.495 132 P HA 0.305 nan 4.420 nan 0.000 0.283 132 P C -1.372 175.943 177.300 0.025 0.000 1.271 132 P CA -0.713 62.399 63.100 0.020 0.000 0.841 132 P CB 0.983 32.693 31.700 0.017 0.000 1.122 133 A N 2.731 125.566 122.820 0.025 0.000 2.603 133 A HA 0.138 4.458 4.320 -0.000 0.000 0.235 133 A C -1.859 175.743 177.584 0.029 0.000 1.035 133 A CA -0.402 51.653 52.037 0.030 0.000 0.755 133 A CB -1.751 17.264 19.000 0.024 0.000 0.954 133 A HN 0.388 nan 8.150 nan 0.000 0.511 134 P HA 0.226 nan 4.420 nan 0.000 0.274 134 P C -1.023 176.293 177.300 0.027 0.000 1.291 134 P CA -0.121 63.000 63.100 0.034 0.000 0.815 134 P CB 0.190 31.917 31.700 0.045 0.000 0.897 135 D N 1.205 121.617 120.400 0.020 0.000 2.368 135 D HA 0.172 4.812 4.640 -0.000 0.000 0.268 135 D C -0.175 176.133 176.300 0.013 0.000 1.298 135 D CA -0.080 53.929 54.000 0.015 0.000 0.938 135 D CB 0.034 40.841 40.800 0.012 0.000 1.101 135 D HN 0.072 nan 8.370 nan 0.000 0.509 136 T N 2.310 116.870 114.554 0.011 0.000 2.893 136 T HA 0.302 4.652 4.350 -0.000 0.000 0.293 136 T C 0.774 175.475 174.700 0.001 0.000 1.027 136 T CA -0.904 61.198 62.100 0.004 0.000 0.988 136 T CB 0.983 69.853 68.868 0.004 0.000 1.043 136 T HN 0.428 nan 8.240 nan 0.000 0.461 137 L N 2.074 123.295 121.223 -0.004 0.000 2.416 137 L HA 0.320 4.660 4.340 -0.000 0.000 0.216 137 L C 0.893 177.758 176.870 -0.008 0.000 1.098 137 L CA 0.328 55.166 54.840 -0.004 0.000 0.840 137 L CB 0.002 42.059 42.059 -0.004 0.000 0.981 137 L HN 0.637 nan 8.230 nan 0.000 0.462 138 E N 0.836 121.027 120.200 -0.015 0.000 2.338 138 E HA 0.254 4.604 4.350 -0.000 0.000 0.272 138 E C -0.593 175.998 176.600 -0.015 0.000 1.029 138 E CA 0.173 56.560 56.400 -0.021 0.000 0.872 138 E CB 1.009 30.686 29.700 -0.039 0.000 1.015 138 E HN -0.055 nan 8.360 nan 0.000 0.417 139 T N 1.450 115.997 114.554 -0.011 0.000 3.172 139 T HA 0.519 4.869 4.350 -0.000 0.000 0.320 139 T C -0.371 174.329 174.700 0.001 0.000 1.085 139 T CA -0.911 61.187 62.100 -0.003 0.000 1.052 139 T CB 1.663 70.529 68.868 -0.003 0.000 1.107 139 T HN 0.578 nan 8.240 nan 0.000 0.458 140 G N 0.899 109.705 108.800 0.011 0.000 2.685 140 G HA2 0.783 4.743 3.960 -0.000 0.000 0.298 140 G HA3 0.783 4.743 3.960 -0.000 0.000 0.298 140 G C -0.654 174.260 174.900 0.023 0.000 1.277 140 G CA -0.766 44.344 45.100 0.016 0.000 0.986 140 G HN 0.962 nan 8.290 nan 0.000 0.487 141 A N -0.293 122.543 122.820 0.028 0.000 2.351 141 A HA 0.508 4.828 4.320 -0.000 0.000 0.257 141 A C 1.502 179.115 177.584 0.048 0.000 1.087 141 A CA -0.563 51.492 52.037 0.029 0.000 0.798 141 A CB 0.502 19.521 19.000 0.032 0.000 1.033 141 A HN 0.719 nan 8.150 nan 0.000 0.488 142 L N 0.683 121.932 121.223 0.043 0.000 1.971 142 L HA -0.128 4.212 4.340 -0.000 0.000 0.215 142 L C 0.264 177.185 176.870 0.086 0.000 1.072 142 L CA 1.231 56.114 54.840 0.073 0.000 0.758 142 L CB -0.167 41.923 42.059 0.052 0.000 0.889 142 L HN 0.544 nan 8.230 nan 0.000 0.433 143 I N -0.286 120.325 120.570 0.069 0.000 2.412 143 I HA 0.198 4.368 4.170 -0.000 0.000 0.296 143 I C 0.257 176.414 176.117 0.066 0.000 0.987 143 I CA -0.125 61.217 61.300 0.070 0.000 1.180 143 I CB 1.168 39.208 38.000 0.066 0.000 1.340 143 I HN 0.110 nan 8.210 nan 0.000 0.455 144 T N 3.328 117.924 114.554 0.070 0.000 2.940 144 T HA 0.583 4.933 4.350 -0.000 0.000 0.288 144 T C -2.542 172.221 174.700 0.104 0.000 1.033 144 T CA -1.937 60.209 62.100 0.077 0.000 1.033 144 T CB 1.441 70.345 68.868 0.060 0.000 1.079 144 T HN 0.425 nan 8.240 nan 0.000 0.496 145 P HA 0.149 nan 4.420 nan 0.000 0.257 145 P C -2.351 175.104 177.300 0.258 0.000 1.189 145 P CA -0.791 62.416 63.100 0.177 0.000 0.780 145 P CB -0.609 31.220 31.700 0.215 0.000 0.772 146 P HA 0.093 nan 4.420 nan 0.000 0.264 146 P C -0.587 176.841 177.300 0.213 0.000 1.229 146 P CA 0.092 63.293 63.100 0.169 0.000 0.780 146 P CB 0.178 31.930 31.700 0.086 0.000 0.808 147 F N 2.759 122.708 119.950 -0.002 0.000 2.412 147 F HA 0.149 4.676 4.527 -0.000 0.000 0.348 147 F C 1.536 177.327 175.800 -0.015 0.000 1.102 147 F CA -0.605 57.389 58.000 -0.010 0.000 1.196 147 F CB 0.274 39.261 39.000 -0.021 0.000 1.144 147 F HN 0.294 nan 8.300 nan 0.000 0.541 148 N N 6.235 124.953 118.700 0.030 0.000 2.332 148 N HA -0.051 4.689 4.740 -0.000 0.000 0.274 148 N C -1.643 173.896 175.510 0.049 0.000 1.351 148 N CA -0.949 52.110 53.050 0.014 0.000 0.875 148 N CB 0.473 38.940 38.487 -0.033 0.000 1.140 148 N HN 0.222 nan 8.380 nan 0.000 0.489 149 P HA -0.177 nan 4.420 nan 0.000 0.226 149 P C 1.161 178.468 177.300 0.012 0.000 1.146 149 P CA 0.888 64.004 63.100 0.027 0.000 0.773 149 P CB 0.301 32.011 31.700 0.016 0.000 0.772 150 L N -1.083 120.144 121.223 0.007 0.000 2.599 150 L HA 0.027 4.367 4.340 -0.000 0.000 0.230 150 L C 2.567 179.438 176.870 0.002 0.000 1.141 150 L CA 0.655 55.495 54.840 -0.001 0.000 0.877 150 L CB -0.236 41.819 42.059 -0.005 0.000 1.009 150 L HN -0.087 nan 8.230 nan 0.000 0.447 151 Q N -0.604 119.204 119.800 0.013 0.000 2.259 151 Q HA 0.052 4.392 4.340 -0.000 0.000 0.201 151 Q C 0.371 176.373 176.000 0.003 0.000 0.938 151 Q CA -0.076 55.737 55.803 0.017 0.000 0.872 151 Q CB 0.296 29.062 28.738 0.047 0.000 0.971 151 Q HN 0.372 nan 8.270 nan 0.000 0.494 152 R N 2.104 122.608 120.500 0.007 0.000 2.587 152 R HA -0.054 4.286 4.340 -0.000 0.000 0.268 152 R C 0.383 176.669 176.300 -0.025 0.000 0.978 152 R CA 0.636 56.727 56.100 -0.015 0.000 1.097 152 R CB -0.111 30.183 30.300 -0.010 0.000 0.917 152 R HN 0.163 nan 8.270 nan 0.000 0.414 153 T N 1.546 116.079 114.554 -0.034 0.000 2.919 153 T HA 0.228 4.578 4.350 -0.000 0.000 0.302 153 T C -1.782 172.894 174.700 -0.039 0.000 1.031 153 T CA -1.583 60.499 62.100 -0.030 0.000 1.127 153 T CB 0.980 69.835 68.868 -0.021 0.000 0.952 153 T HN 0.380 nan 8.240 nan 0.000 0.540 154 P HA 0.234 nan 4.420 nan 0.000 0.271 154 P C -0.234 177.016 177.300 -0.083 0.000 1.233 154 P CA -0.488 62.575 63.100 -0.062 0.000 0.789 154 P CB 0.544 32.205 31.700 -0.066 0.000 0.951 155 I N 1.790 122.306 120.570 -0.089 0.000 2.396 155 I HA 0.073 4.243 4.170 -0.000 0.000 0.289 155 I C 1.457 177.483 176.117 -0.152 0.000 1.056 155 I CA 0.529 61.766 61.300 -0.105 0.000 1.365 155 I CB 0.200 38.146 38.000 -0.091 0.000 1.407 155 I HN 0.541 nan 8.210 nan 0.000 0.509 156 E N 4.302 124.364 120.200 -0.231 0.000 2.713 156 E HA 0.150 4.500 4.350 -0.000 0.000 0.199 156 E C -0.614 175.688 176.600 -0.497 0.000 0.940 156 E CA -0.482 55.712 56.400 -0.343 0.000 1.310 156 E CB 0.239 29.709 29.700 -0.383 0.000 1.129 156 E HN 0.644 nan 8.360 nan 0.000 0.557 157 H N 0.977 119.974 119.070 -0.121 0.000 2.589 157 H HA 0.348 4.904 4.556 -0.000 0.000 0.335 157 H C -0.582 174.635 175.328 -0.185 0.000 1.019 157 H CA -0.890 55.068 56.048 -0.150 0.000 1.213 157 H CB 2.447 32.123 29.762 -0.144 0.000 1.472 157 H HN 0.039 nan 8.280 nan 0.000 0.508 158 V N 5.095 124.912 119.914 -0.161 0.000 2.763 158 V HA 0.061 4.181 4.120 -0.000 0.000 0.306 158 V C -0.228 175.740 176.094 -0.210 0.000 1.059 158 V CA -0.098 62.034 62.300 -0.280 0.000 1.138 158 V CB 0.321 31.718 31.823 -0.709 0.000 0.940 158 V HN 0.667 nan 8.190 nan 0.000 0.489 159 L N 5.647 126.803 121.223 -0.111 0.000 2.280 159 L HA 0.522 4.862 4.340 -0.000 0.000 0.287 159 L C -0.268 176.613 176.870 0.019 0.000 1.023 159 L CA -0.605 54.217 54.840 -0.031 0.000 0.819 159 L CB 1.349 43.421 42.059 0.023 0.000 1.212 159 L HN 0.760 nan 8.230 nan 0.000 0.420 160 D N 2.908 123.325 120.400 0.029 0.000 2.348 160 D HA 0.019 4.658 4.640 -0.000 0.000 0.259 160 D C 1.292 177.664 176.300 0.119 0.000 1.296 160 D CA 0.203 54.275 54.000 0.120 0.000 0.931 160 D CB 1.313 42.187 40.800 0.124 0.000 1.067 160 D HN 0.709 nan 8.370 nan 0.000 0.503 161 T N 0.726 115.363 114.554 0.139 0.000 3.055 161 T HA 0.149 4.499 4.350 -0.000 0.000 0.265 161 T C 1.600 176.352 174.700 0.087 0.000 1.111 161 T CA 0.555 62.715 62.100 0.100 0.000 1.118 161 T CB -0.031 68.895 68.868 0.096 0.000 0.909 161 T HN 0.542 nan 8.240 nan 0.000 0.501 162 G N 0.352 109.214 108.800 0.104 0.000 2.176 162 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.253 162 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.253 162 G C 0.017 174.947 174.900 0.050 0.000 0.979 162 G CA -0.028 45.127 45.100 0.092 0.000 0.641 162 G HN 0.752 nan 8.290 nan 0.000 0.530 163 V N 1.026 120.961 119.914 0.034 0.000 2.384 163 V HA 0.474 4.594 4.120 -0.000 0.000 0.287 163 V C 1.547 177.623 176.094 -0.030 0.000 1.020 163 V CA 0.090 62.384 62.300 -0.009 0.000 0.850 163 V CB 1.408 33.224 31.823 -0.012 0.000 0.987 163 V HN 0.415 nan 8.190 nan 0.000 0.436 164 R N 4.546 124.974 120.500 -0.120 0.000 2.082 164 R HA -0.187 4.153 4.340 -0.000 0.000 0.234 164 R C 2.147 178.351 176.300 -0.159 0.000 1.136 164 R CA 2.251 58.220 56.100 -0.218 0.000 0.935 164 R CB -0.341 29.679 30.300 -0.467 0.000 0.842 164 R HN 0.827 nan 8.270 nan 0.000 0.430 165 A N 0.795 123.522 122.820 -0.154 0.000 1.948 165 A HA -0.176 4.144 4.320 -0.000 0.000 0.220 165 A C 2.197 179.822 177.584 0.067 0.000 1.177 165 A CA 1.718 53.759 52.037 0.006 0.000 0.636 165 A CB -0.600 18.417 19.000 0.027 0.000 0.815 165 A HN 0.439 nan 8.150 nan 0.000 0.449 166 I N -0.316 120.291 120.570 0.063 0.000 2.202 166 I HA -0.230 3.940 4.170 -0.000 0.000 0.242 166 I C 2.153 178.370 176.117 0.166 0.000 1.091 166 I CA 1.173 62.538 61.300 0.108 0.000 1.368 166 I CB -0.521 37.545 38.000 0.110 0.000 1.058 166 I HN 0.294 nan 8.210 nan 0.000 0.410 167 N N 1.212 120.024 118.700 0.187 0.000 2.104 167 N HA -0.142 4.598 4.740 -0.000 0.000 0.190 167 N C 1.741 177.440 175.510 0.315 0.000 1.024 167 N CA 1.802 55.044 53.050 0.320 0.000 0.853 167 N CB -0.271 38.401 38.487 0.309 0.000 1.008 167 N HN 0.373 nan 8.380 nan 0.000 0.424 168 A N -0.313 122.639 122.820 0.221 0.000 2.095 168 A HA 0.223 4.543 4.320 -0.000 0.000 0.212 168 A C 1.890 179.638 177.584 0.273 0.000 1.162 168 A CA 0.408 52.620 52.037 0.291 0.000 0.753 168 A CB 0.107 19.333 19.000 0.378 0.000 0.840 168 A HN 0.204 nan 8.150 nan 0.000 0.468 169 L N -2.046 119.266 121.223 0.148 0.000 2.878 169 L HA 0.384 4.724 4.340 -0.000 0.000 0.253 169 L C 0.274 177.169 176.870 0.041 0.000 1.135 169 L CA 0.204 55.066 54.840 0.037 0.000 0.943 169 L CB 0.537 42.539 42.059 -0.095 0.000 1.307 169 L HN 0.150 nan 8.230 nan 0.000 0.545 170 L N -0.127 121.143 121.223 0.078 0.000 3.320 170 L HA 0.216 4.556 4.340 -0.000 0.000 0.331 170 L C -0.159 176.765 176.870 0.089 0.000 1.306 170 L CA -0.242 54.631 54.840 0.056 0.000 0.892 170 L CB 1.057 43.144 42.059 0.046 0.000 1.337 170 L HN -0.054 nan 8.230 nan 0.000 0.604 171 T N 1.316 115.949 114.554 0.132 0.000 2.656 171 T HA 0.033 4.383 4.350 -0.000 0.000 0.258 171 T C 0.421 175.176 174.700 0.092 0.000 1.020 171 T CA 0.337 62.549 62.100 0.187 0.000 1.191 171 T CB 0.455 69.479 68.868 0.260 0.000 1.004 171 T HN -0.003 nan 8.240 nan 0.000 0.498 172 V N 3.045 123.021 119.914 0.104 0.000 2.612 172 V HA 0.765 4.885 4.120 -0.000 0.000 0.301 172 V C 0.872 176.966 176.094 -0.000 0.000 1.046 172 V CA -0.828 61.497 62.300 0.041 0.000 0.946 172 V CB 1.854 33.736 31.823 0.098 0.000 1.003 172 V HN 1.019 nan 8.190 nan 0.000 0.459 173 G N 2.533 111.308 108.800 -0.043 0.000 2.473 173 G HA2 0.624 4.584 3.960 -0.000 0.000 0.321 173 G HA3 0.624 4.584 3.960 -0.000 0.000 0.321 173 G C -0.537 174.329 174.900 -0.056 0.000 1.200 173 G CA -1.169 43.894 45.100 -0.061 0.000 0.963 173 G HN 0.843 nan 8.290 nan 0.000 0.483 174 R N -0.300 120.167 120.500 -0.055 0.000 2.491 174 R HA 0.536 4.876 4.340 -0.000 0.000 0.283 174 R C 0.959 177.214 176.300 -0.074 0.000 1.072 174 R CA 0.272 56.333 56.100 -0.066 0.000 1.048 174 R CB 0.797 31.031 30.300 -0.111 0.000 0.983 174 R HN 1.397 nan 8.270 nan 0.000 0.450 175 G N 0.851 109.611 108.800 -0.067 0.000 2.238 175 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.217 175 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.217 175 G C 0.058 174.922 174.900 -0.060 0.000 0.996 175 G CA -0.030 45.035 45.100 -0.060 0.000 0.632 175 G HN 0.659 nan 8.290 nan 0.000 0.503 176 Q N 0.510 120.263 119.800 -0.079 0.000 2.314 176 Q HA 0.582 4.922 4.340 -0.000 0.000 0.258 176 Q C 0.045 175.969 176.000 -0.127 0.000 0.954 176 Q CA -0.230 55.511 55.803 -0.102 0.000 0.890 176 Q CB 0.371 29.035 28.738 -0.124 0.000 1.210 176 Q HN 0.371 nan 8.270 nan 0.000 0.410 177 R N 3.013 123.458 120.500 -0.093 0.000 2.246 177 R HA 0.388 4.728 4.340 -0.000 0.000 0.332 177 R C -0.643 175.595 176.300 -0.103 0.000 0.974 177 R CA -0.133 55.945 56.100 -0.036 0.000 0.837 177 R CB 0.948 31.287 30.300 0.065 0.000 1.145 177 R HN 0.476 nan 8.270 nan 0.000 0.467 178 M N 1.138 120.583 119.600 -0.260 0.000 2.598 178 M HA 0.478 4.958 4.480 -0.000 0.000 0.317 178 M C 0.491 176.757 176.300 -0.057 0.000 1.179 178 M CA -0.827 54.292 55.300 -0.302 0.000 0.936 178 M CB 2.108 34.262 32.600 -0.744 0.000 1.713 178 M HN 0.683 nan 8.290 nan 0.000 0.460 179 G N 1.361 110.169 108.800 0.013 0.000 2.410 179 G HA2 0.713 4.673 3.960 -0.000 0.000 0.330 179 G HA3 0.713 4.673 3.960 -0.000 0.000 0.330 179 G C -1.565 173.389 174.900 0.089 0.000 1.142 179 G CA -0.558 44.636 45.100 0.158 0.000 0.902 179 G HN 0.671 nan 8.290 nan 0.000 0.491 180 L N 1.894 123.316 121.223 0.331 0.000 2.388 180 L HA 0.495 4.835 4.340 -0.000 0.000 0.267 180 L C -1.065 176.124 176.870 0.533 0.000 0.995 180 L CA -0.750 54.277 54.840 0.310 0.000 0.864 180 L CB 0.641 42.884 42.059 0.307 0.000 1.216 180 L HN 0.471 nan 8.230 nan 0.000 0.430 181 F N 4.375 124.409 119.950 0.140 0.000 2.385 181 F HA 0.701 5.228 4.527 0.000 0.000 0.360 181 F C 0.522 176.376 175.800 0.090 0.000 1.122 181 F CA -0.877 57.178 58.000 0.092 0.000 1.090 181 F CB 1.700 40.729 39.000 0.047 0.000 1.150 181 F HN 0.532 nan 8.300 nan 0.000 0.472 182 A N 2.498 125.471 122.820 0.256 0.000 2.594 182 A HA 0.781 5.101 4.320 -0.000 0.000 0.295 182 A C -0.494 177.166 177.584 0.126 0.000 1.071 182 A CA -0.543 51.600 52.037 0.176 0.000 0.685 182 A CB 1.286 20.386 19.000 0.166 0.000 1.285 182 A HN 0.776 nan 8.150 nan 0.000 0.405 183 G N 0.086 108.951 108.800 0.108 0.000 2.532 183 G HA2 0.560 4.520 3.960 -0.000 0.000 0.291 183 G HA3 0.560 4.520 3.960 -0.000 0.000 0.291 183 G C 0.303 175.257 174.900 0.090 0.000 1.349 183 G CA 0.322 45.473 45.100 0.085 0.000 1.038 183 G HN 1.619 nan 8.290 nan 0.000 0.518 184 S N -2.045 113.702 115.700 0.078 0.000 2.632 184 S HA 0.525 4.995 4.470 -0.000 0.000 0.271 184 S C 1.152 175.802 174.600 0.084 0.000 1.260 184 S CA 0.363 58.611 58.200 0.079 0.000 1.010 184 S CB 1.266 64.505 63.200 0.066 0.000 0.965 184 S HN 2.326 nan 8.310 nan 0.000 0.534 185 G N -0.273 108.579 108.800 0.087 0.000 2.168 185 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.263 185 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.263 185 G C 0.449 175.430 174.900 0.135 0.000 0.977 185 G CA 0.464 45.621 45.100 0.094 0.000 0.659 185 G HN 1.958 nan 8.290 nan 0.000 0.533 186 V N -3.192 116.812 119.914 0.150 0.000 3.483 186 V HA 0.677 4.797 4.120 -0.000 0.000 0.301 186 V C 1.663 177.927 176.094 0.283 0.000 1.389 186 V CA 1.037 63.464 62.300 0.211 0.000 1.101 186 V CB 0.033 31.947 31.823 0.152 0.000 0.971 186 V HN 2.132 nan 8.190 nan 0.000 0.434 187 G N 1.307 110.224 108.800 0.194 0.000 2.159 187 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.227 187 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.227 187 G C 1.021 175.981 174.900 0.099 0.000 0.986 187 G CA 0.439 45.625 45.100 0.143 0.000 0.651 187 G HN 0.583 nan 8.290 nan 0.000 0.523 188 K N 1.269 121.735 120.400 0.110 0.000 2.044 188 K HA -0.060 4.260 4.320 -0.000 0.000 0.210 188 K C 2.201 178.855 176.600 0.089 0.000 1.049 188 K CA 2.367 58.716 56.287 0.104 0.000 0.927 188 K CB -0.742 31.833 32.500 0.126 0.000 0.713 188 K HN 0.356 nan 8.250 nan 0.000 0.443 189 S N 0.602 116.364 115.700 0.104 0.000 2.402 189 S HA -0.069 4.401 4.470 -0.000 0.000 0.229 189 S C 2.024 176.568 174.600 -0.093 0.000 1.021 189 S CA 1.100 59.373 58.200 0.121 0.000 0.974 189 S CB -0.087 63.201 63.200 0.146 0.000 0.800 189 S HN 0.179 nan 8.310 nan 0.000 0.484 190 V N 1.559 121.409 119.914 -0.106 0.000 2.358 190 V HA -0.093 4.027 4.120 -0.000 0.000 0.246 190 V C 2.200 178.193 176.094 -0.168 0.000 1.047 190 V CA 1.302 63.494 62.300 -0.181 0.000 1.035 190 V CB -0.507 31.218 31.823 -0.164 0.000 0.658 190 V HN 0.370 nan 8.190 nan 0.000 0.452 191 L N -0.326 120.842 121.223 -0.091 0.000 2.046 191 L HA -0.124 4.216 4.340 -0.000 0.000 0.208 191 L C 2.165 178.947 176.870 -0.147 0.000 1.077 191 L CA 1.847 56.629 54.840 -0.097 0.000 0.747 191 L CB -0.601 41.432 42.059 -0.044 0.000 0.896 191 L HN 0.200 nan 8.230 nan 0.000 0.432 192 L N -0.958 120.204 121.223 -0.102 0.000 2.046 192 L HA -0.135 4.205 4.340 -0.000 0.000 0.208 192 L C 2.496 179.288 176.870 -0.129 0.000 1.077 192 L CA 1.346 56.138 54.840 -0.080 0.000 0.747 192 L CB -1.423 40.705 42.059 0.115 0.000 0.896 192 L HN 0.455 nan 8.230 nan 0.000 0.432 193 G N -0.633 108.033 108.800 -0.223 0.000 2.408 193 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.217 193 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.217 193 G C 1.656 176.333 174.900 -0.372 0.000 1.150 193 G CA 0.430 45.326 45.100 -0.339 0.000 0.776 193 G HN 0.158 nan 8.290 nan 0.000 0.542 194 M N -0.237 119.156 119.600 -0.344 0.000 2.080 194 M HA -0.001 4.479 4.480 -0.000 0.000 0.260 194 M C 2.707 178.815 176.300 -0.321 0.000 1.068 194 M CA 1.509 56.587 55.300 -0.370 0.000 1.109 194 M CB -0.273 32.214 32.600 -0.189 0.000 1.342 194 M HN 0.224 nan 8.290 nan 0.000 0.405 195 M N -0.819 118.646 119.600 -0.225 0.000 2.319 195 M HA -0.066 4.414 4.480 -0.000 0.000 0.265 195 M C 2.268 178.468 176.300 -0.167 0.000 1.068 195 M CA 1.176 56.371 55.300 -0.175 0.000 1.118 195 M CB -0.378 32.070 32.600 -0.252 0.000 1.395 195 M HN 0.313 nan 8.290 nan 0.000 0.435 196 A N 0.579 123.283 122.820 -0.193 0.000 2.015 196 A HA -0.115 4.205 4.320 -0.000 0.000 0.219 196 A C 2.132 179.603 177.584 -0.189 0.000 1.163 196 A CA 1.384 53.330 52.037 -0.151 0.000 0.646 196 A CB -0.371 18.560 19.000 -0.114 0.000 0.806 196 A HN 0.470 nan 8.150 nan 0.000 0.448 197 R N -2.790 117.510 120.500 -0.335 0.000 2.225 197 R HA 0.175 4.515 4.340 -0.000 0.000 0.194 197 R C 0.886 177.026 176.300 -0.267 0.000 0.957 197 R CA 0.738 56.598 56.100 -0.400 0.000 1.042 197 R CB 0.023 29.910 30.300 -0.689 0.000 1.004 197 R HN 0.697 nan 8.270 nan 0.000 0.509 198 Y N -0.218 120.037 120.300 -0.074 0.000 2.467 198 Y HA 0.224 4.774 4.550 0.000 0.000 0.250 198 Y C 0.454 176.332 175.900 -0.035 0.000 1.155 198 Y CA -0.560 57.508 58.100 -0.054 0.000 1.249 198 Y CB 1.085 39.505 38.460 -0.066 0.000 1.146 198 Y HN -0.199 nan 8.280 nan 0.000 0.524 199 T N 2.708 117.304 114.554 0.071 0.000 2.751 199 T HA 0.023 4.373 4.350 -0.000 0.000 0.290 199 T C 0.471 175.199 174.700 0.047 0.000 0.919 199 T CA -0.281 61.850 62.100 0.051 0.000 1.136 199 T CB -0.026 68.850 68.868 0.012 0.000 0.875 199 T HN 0.234 nan 8.240 nan 0.000 0.532 200 R N 3.210 123.746 120.500 0.059 0.000 3.206 200 R HA 0.410 4.750 4.340 -0.000 0.000 0.209 200 R C -0.265 176.053 176.300 0.029 0.000 1.632 200 R CA -0.205 55.920 56.100 0.042 0.000 1.234 200 R CB -0.623 29.706 30.300 0.048 0.000 1.270 200 R HN 0.646 nan 8.270 nan 0.000 0.665 201 A N 1.915 124.742 122.820 0.010 0.000 2.527 201 A HA 0.308 4.628 4.320 -0.000 0.000 0.293 201 A C -0.126 177.430 177.584 -0.047 0.000 1.117 201 A CA -0.941 51.098 52.037 0.004 0.000 0.723 201 A CB 1.319 20.329 19.000 0.016 0.000 1.313 201 A HN 0.528 nan 8.150 nan 0.000 0.411 202 D N -0.292 120.059 120.400 -0.081 0.000 2.088 202 D HA -0.024 4.616 4.640 -0.000 0.000 0.191 202 D C 0.716 176.935 176.300 -0.135 0.000 0.992 202 D CA 2.036 55.967 54.000 -0.115 0.000 0.831 202 D CB -0.172 40.545 40.800 -0.139 0.000 0.973 202 D HN 0.297 nan 8.370 nan 0.000 0.447 203 V N 0.891 120.689 119.914 -0.192 0.000 2.960 203 V HA 0.369 4.489 4.120 -0.000 0.000 0.315 203 V C -0.119 175.831 176.094 -0.241 0.000 1.087 203 V CA -0.829 61.291 62.300 -0.301 0.000 0.982 203 V CB 2.923 34.351 31.823 -0.658 0.000 1.039 203 V HN 0.018 nan 8.190 nan 0.000 0.437 204 I N 2.651 123.081 120.570 -0.232 0.000 2.439 204 I HA 0.429 4.599 4.170 -0.000 0.000 0.285 204 I C -0.640 175.376 176.117 -0.168 0.000 1.021 204 I CA -0.463 60.743 61.300 -0.157 0.000 1.091 204 I CB 1.686 39.624 38.000 -0.103 0.000 1.242 204 I HN 0.253 nan 8.210 nan 0.000 0.439 205 V N 6.969 126.793 119.914 -0.150 0.000 2.398 205 V HA 0.451 4.571 4.120 -0.000 0.000 0.286 205 V C 0.096 176.134 176.094 -0.092 0.000 1.026 205 V CA -0.691 61.535 62.300 -0.122 0.000 0.868 205 V CB 2.224 33.983 31.823 -0.106 0.000 0.982 205 V HN 0.432 nan 8.190 nan 0.000 0.443 206 V N 3.783 123.648 119.914 -0.082 0.000 2.378 206 V HA 0.675 4.795 4.120 -0.000 0.000 0.288 206 V C 0.680 176.708 176.094 -0.110 0.000 1.016 206 V CA -0.426 61.821 62.300 -0.087 0.000 0.840 206 V CB 1.650 33.441 31.823 -0.054 0.000 0.994 206 V HN 0.941 nan 8.190 nan 0.000 0.431 207 G N 5.154 113.884 108.800 -0.117 0.000 2.347 207 G HA2 0.642 4.602 3.960 -0.000 0.000 0.314 207 G HA3 0.642 4.602 3.960 -0.000 0.000 0.314 207 G C -0.767 174.054 174.900 -0.132 0.000 1.126 207 G CA -0.443 44.600 45.100 -0.095 0.000 0.929 207 G HN 0.632 nan 8.290 nan 0.000 0.441 208 L N 3.581 124.720 121.223 -0.140 0.000 2.301 208 L HA 0.443 4.783 4.340 -0.000 0.000 0.278 208 L C -0.698 176.125 176.870 -0.079 0.000 1.022 208 L CA -0.677 54.052 54.840 -0.185 0.000 0.854 208 L CB 1.166 43.059 42.059 -0.277 0.000 1.226 208 L HN 0.285 nan 8.230 nan 0.000 0.429 209 I N 1.628 122.174 120.570 -0.040 0.000 2.562 209 I HA 0.555 4.725 4.170 -0.000 0.000 0.301 209 I C 1.221 177.346 176.117 0.013 0.000 1.003 209 I CA -0.065 61.242 61.300 0.012 0.000 1.127 209 I CB 1.824 39.864 38.000 0.068 0.000 1.304 209 I HN 0.648 nan 8.210 nan 0.000 0.446 210 G N 2.349 111.160 108.800 0.019 0.000 2.216 210 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.269 210 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.269 210 G C 0.368 175.275 174.900 0.012 0.000 0.981 210 G CA 0.276 45.386 45.100 0.016 0.000 0.658 210 G HN 0.532 nan 8.290 nan 0.000 0.539 211 E N 0.042 120.245 120.200 0.005 0.000 2.283 211 E HA 0.426 4.776 4.350 -0.000 0.000 0.267 211 E C 0.939 177.546 176.600 0.012 0.000 1.045 211 E CA -0.888 55.518 56.400 0.010 0.000 0.884 211 E CB 0.632 30.337 29.700 0.008 0.000 1.106 211 E HN 0.413 nan 8.360 nan 0.000 0.408 212 R N 0.067 120.578 120.500 0.018 0.000 2.640 212 R HA 0.017 4.357 4.340 -0.000 0.000 0.270 212 R C 1.587 177.900 176.300 0.021 0.000 1.024 212 R CA 0.560 56.671 56.100 0.019 0.000 1.085 212 R CB 0.121 30.434 30.300 0.021 0.000 0.963 212 R HN 0.724 nan 8.270 nan 0.000 0.426 213 G N 2.796 111.608 108.800 0.019 0.000 2.475 213 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.220 213 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.220 213 G C 1.249 176.167 174.900 0.030 0.000 1.125 213 G CA 0.686 45.800 45.100 0.022 0.000 0.755 213 G HN 0.583 nan 8.290 nan 0.000 0.565 214 R N 0.479 120.997 120.500 0.030 0.000 2.082 214 R HA -0.085 4.255 4.340 -0.000 0.000 0.234 214 R C 2.555 178.885 176.300 0.049 0.000 1.136 214 R CA 1.660 57.780 56.100 0.034 0.000 0.935 214 R CB -0.508 29.810 30.300 0.030 0.000 0.842 214 R HN 0.491 nan 8.270 nan 0.000 0.430 215 E N 0.487 120.719 120.200 0.053 0.000 2.085 215 E HA -0.170 4.180 4.350 -0.000 0.000 0.194 215 E C 2.137 178.801 176.600 0.108 0.000 0.994 215 E CA 1.490 57.938 56.400 0.080 0.000 0.801 215 E CB -0.177 29.564 29.700 0.070 0.000 0.743 215 E HN 0.117 nan 8.360 nan 0.000 0.453 216 V N 1.774 121.728 119.914 0.067 0.000 2.287 216 V HA -0.303 3.817 4.120 -0.000 0.000 0.248 216 V C 2.437 178.594 176.094 0.106 0.000 1.053 216 V CA 2.055 64.391 62.300 0.060 0.000 1.027 216 V CB -0.508 31.328 31.823 0.021 0.000 0.646 216 V HN 0.216 nan 8.190 nan 0.000 0.447 217 K N 0.033 120.481 120.400 0.079 0.000 2.032 217 K HA -0.284 4.036 4.320 -0.000 0.000 0.209 217 K C 2.010 178.661 176.600 0.084 0.000 1.048 217 K CA 2.244 58.574 56.287 0.072 0.000 0.927 217 K CB -0.352 32.176 32.500 0.047 0.000 0.712 217 K HN 0.515 nan 8.250 nan 0.000 0.441 218 D N -0.263 120.188 120.400 0.085 0.000 2.117 218 D HA -0.205 4.435 4.640 -0.000 0.000 0.197 218 D C 1.774 178.121 176.300 0.079 0.000 0.987 218 D CA 1.067 55.106 54.000 0.066 0.000 0.829 218 D CB -0.179 40.656 40.800 0.057 0.000 0.961 218 D HN 0.245 nan 8.370 nan 0.000 0.460 219 F N 0.714 120.660 119.950 -0.007 0.000 2.126 219 F HA -0.074 4.453 4.527 -0.000 0.000 0.299 219 F C 2.041 177.829 175.800 -0.021 0.000 1.096 219 F CA 1.323 59.314 58.000 -0.016 0.000 1.255 219 F CB -0.250 38.742 39.000 -0.013 0.000 0.997 219 F HN 0.021 nan 8.300 nan 0.000 0.479 220 I N 0.006 120.757 120.570 0.301 0.000 2.202 220 I HA -0.245 3.925 4.170 -0.000 0.000 0.242 220 I C 2.190 178.339 176.117 0.054 0.000 1.091 220 I CA 1.681 63.095 61.300 0.190 0.000 1.368 220 I CB -0.567 37.520 38.000 0.144 0.000 1.058 220 I HN 0.176 nan 8.210 nan 0.000 0.410 221 E N 0.674 120.895 120.200 0.036 0.000 2.076 221 E HA -0.097 4.253 4.350 -0.000 0.000 0.190 221 E C 1.555 178.143 176.600 -0.021 0.000 0.979 221 E CA 0.883 57.287 56.400 0.008 0.000 0.807 221 E CB -0.054 29.654 29.700 0.014 0.000 0.761 221 E HN 0.499 nan 8.360 nan 0.000 0.454 222 N N 0.128 118.803 118.700 -0.042 0.000 2.388 222 N HA 0.046 4.786 4.740 -0.000 0.000 0.176 222 N C 1.545 176.979 175.510 -0.127 0.000 1.062 222 N CA 0.452 53.467 53.050 -0.059 0.000 0.895 222 N CB 0.712 39.174 38.487 -0.040 0.000 1.018 222 N HN 0.117 nan 8.380 nan 0.000 0.456 223 I N 0.342 120.753 120.570 -0.265 0.000 2.685 223 I HA 0.006 4.176 4.170 -0.000 0.000 0.251 223 I C 2.072 177.944 176.117 -0.407 0.000 1.102 223 I CA 0.390 61.419 61.300 -0.452 0.000 1.442 223 I CB -0.776 36.657 38.000 -0.945 0.000 1.194 223 I HN -0.030 nan 8.210 nan 0.000 0.448 224 L N 0.871 121.877 121.223 -0.362 0.000 2.027 224 L HA 0.162 4.502 4.340 -0.000 0.000 0.206 224 L C 1.209 178.000 176.870 -0.131 0.000 1.074 224 L CA 1.687 56.404 54.840 -0.205 0.000 0.745 224 L CB -0.900 41.125 42.059 -0.056 0.000 0.898 224 L HN 0.497 nan 8.230 nan 0.000 0.433 225 G N -2.045 106.707 108.800 -0.081 0.000 2.828 225 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.463 225 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.463 225 G C -1.897 172.991 174.900 -0.021 0.000 1.394 225 G CA -0.213 44.868 45.100 -0.032 0.000 0.862 225 G HN 0.203 nan 8.290 nan 0.000 0.540 226 P HA -0.109 nan 4.420 nan 0.000 0.213 226 P C 1.412 178.707 177.300 -0.008 0.000 1.170 226 P CA 2.327 65.425 63.100 -0.003 0.000 0.898 226 P CB -0.224 31.477 31.700 0.001 0.000 0.787 227 D N -0.169 120.227 120.400 -0.006 0.000 2.182 227 D HA -0.131 4.509 4.640 -0.000 0.000 0.201 227 D C 2.318 178.597 176.300 -0.035 0.000 0.986 227 D CA 1.711 55.704 54.000 -0.011 0.000 0.847 227 D CB -1.544 39.259 40.800 0.005 0.000 0.942 227 D HN 0.231 nan 8.370 nan 0.000 0.467 228 G N 0.759 109.526 108.800 -0.056 0.000 2.402 228 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.216 228 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.216 228 G C 1.896 176.770 174.900 -0.043 0.000 1.162 228 G CA 0.523 45.578 45.100 -0.076 0.000 0.777 228 G HN 0.265 nan 8.290 nan 0.000 0.539 229 R N 0.671 121.158 120.500 -0.023 0.000 2.092 229 R HA 0.093 4.433 4.340 -0.000 0.000 0.231 229 R C 3.010 179.304 176.300 -0.009 0.000 1.119 229 R CA 0.910 57.007 56.100 -0.005 0.000 0.970 229 R CB -0.443 29.861 30.300 0.006 0.000 0.864 229 R HN 0.326 nan 8.270 nan 0.000 0.440 230 A N 2.569 125.382 122.820 -0.012 0.000 1.859 230 A HA -0.248 4.072 4.320 -0.000 0.000 0.218 230 A C 1.895 179.469 177.584 -0.018 0.000 1.209 230 A CA 1.982 54.013 52.037 -0.009 0.000 0.639 230 A CB -0.588 18.407 19.000 -0.008 0.000 0.835 230 A HN 0.472 nan 8.150 nan 0.000 0.450 231 R N -0.664 119.815 120.500 -0.034 0.000 2.555 231 R HA 0.417 4.757 4.340 -0.000 0.000 0.272 231 R C -0.514 175.735 176.300 -0.085 0.000 1.089 231 R CA 0.319 56.385 56.100 -0.057 0.000 1.126 231 R CB -0.104 30.160 30.300 -0.060 0.000 1.250 231 R HN 0.219 nan 8.270 nan 0.000 0.551 232 S N 0.023 115.686 115.700 -0.063 0.000 2.568 232 S HA 0.483 4.952 4.470 -0.000 0.000 0.293 232 S C -0.962 173.609 174.600 -0.049 0.000 1.089 232 S CA -0.706 57.451 58.200 -0.072 0.000 0.945 232 S CB 2.570 65.745 63.200 -0.041 0.000 1.077 232 S HN 0.045 nan 8.310 nan 0.000 0.485 233 V N 2.848 122.725 119.914 -0.062 0.000 2.350 233 V HA 0.408 4.528 4.120 -0.000 0.000 0.285 233 V C -0.638 175.433 176.094 -0.039 0.000 1.014 233 V CA -0.566 61.721 62.300 -0.022 0.000 0.831 233 V CB 1.391 33.225 31.823 0.019 0.000 1.000 233 V HN 0.672 nan 8.190 nan 0.000 0.433 234 V N 6.798 126.701 119.914 -0.018 0.000 2.370 234 V HA 0.476 4.596 4.120 -0.000 0.000 0.279 234 V C -0.268 175.810 176.094 -0.026 0.000 1.029 234 V CA -0.434 61.851 62.300 -0.024 0.000 0.870 234 V CB 1.538 33.364 31.823 0.005 0.000 0.984 234 V HN 0.640 nan 8.190 nan 0.000 0.451 235 I N 4.753 125.294 120.570 -0.049 0.000 2.330 235 I HA 0.686 4.856 4.170 -0.000 0.000 0.289 235 I C 0.432 176.545 176.117 -0.006 0.000 1.001 235 I CA -0.125 61.165 61.300 -0.016 0.000 1.193 235 I CB 1.531 39.505 38.000 -0.044 0.000 1.345 235 I HN 0.674 nan 8.210 nan 0.000 0.461 236 A N 4.961 127.793 122.820 0.020 0.000 2.337 236 A HA 0.979 5.299 4.320 -0.000 0.000 0.329 236 A C -0.392 177.211 177.584 0.031 0.000 1.146 236 A CA -0.475 51.566 52.037 0.006 0.000 0.800 236 A CB 1.396 20.399 19.000 0.004 0.000 1.220 236 A HN 0.930 nan 8.150 nan 0.000 0.472 237 A N 3.378 126.210 122.820 0.020 0.000 2.893 237 A HA 0.620 4.940 4.320 -0.000 0.000 0.298 237 A C -2.930 174.665 177.584 0.018 0.000 1.227 237 A CA -0.921 51.134 52.037 0.030 0.000 0.845 237 A CB 0.414 19.444 19.000 0.049 0.000 1.430 237 A HN 0.580 nan 8.150 nan 0.000 0.493 238 P HA 0.214 nan 4.420 nan 0.000 0.272 238 P C 1.147 178.452 177.300 0.008 0.000 1.254 238 P CA 0.519 63.624 63.100 0.008 0.000 0.795 238 P CB 0.887 32.593 31.700 0.010 0.000 1.022 239 A N 1.046 123.870 122.820 0.007 0.000 2.024 239 A HA -0.219 4.101 4.320 -0.000 0.000 0.220 239 A C 1.607 179.191 177.584 0.001 0.000 1.164 239 A CA 2.201 54.240 52.037 0.004 0.000 0.643 239 A CB -1.743 17.260 19.000 0.005 0.000 0.806 239 A HN 0.710 nan 8.150 nan 0.000 0.451 240 D N -1.332 119.069 120.400 0.003 0.000 2.348 240 D HA 0.097 4.737 4.640 -0.000 0.000 0.216 240 D C 0.464 176.764 176.300 -0.001 0.000 0.970 240 D CA 0.416 54.416 54.000 0.001 0.000 0.889 240 D CB -0.165 40.637 40.800 0.003 0.000 0.912 240 D HN 0.201 nan 8.370 nan 0.000 0.524 241 V N 0.727 120.642 119.914 0.001 0.000 2.997 241 V HA 0.273 4.393 4.120 -0.000 0.000 0.311 241 V C 0.793 176.884 176.094 -0.006 0.000 1.066 241 V CA -0.756 61.544 62.300 0.000 0.000 1.039 241 V CB 1.591 33.419 31.823 0.007 0.000 1.081 241 V HN 0.388 nan 8.190 nan 0.000 0.467 242 S N 2.654 118.349 115.700 -0.008 0.000 2.579 242 S HA 0.175 4.644 4.470 -0.000 0.000 0.275 242 S C -1.788 172.800 174.600 -0.020 0.000 1.345 242 S CA -0.666 57.525 58.200 -0.016 0.000 1.031 242 S CB 0.758 63.948 63.200 -0.016 0.000 0.892 242 S HN 0.554 nan 8.310 nan 0.000 0.529 243 P HA -0.138 nan 4.420 nan 0.000 0.216 243 P C 1.565 178.835 177.300 -0.050 0.000 1.154 243 P CA 1.132 64.202 63.100 -0.049 0.000 0.865 243 P CB -0.034 31.630 31.700 -0.061 0.000 0.789 244 L N -1.397 119.804 121.223 -0.037 0.000 1.989 244 L HA -0.179 4.161 4.340 -0.000 0.000 0.211 244 L C 2.388 179.255 176.870 -0.005 0.000 1.071 244 L CA 1.340 56.165 54.840 -0.025 0.000 0.749 244 L CB -0.953 41.097 42.059 -0.015 0.000 0.890 244 L HN -0.002 nan 8.230 nan 0.000 0.431 245 L N -0.458 120.765 121.223 0.001 0.000 2.083 245 L HA -0.220 4.120 4.340 -0.000 0.000 0.209 245 L C 2.686 179.577 176.870 0.035 0.000 1.083 245 L CA 1.690 56.540 54.840 0.017 0.000 0.752 245 L CB -1.092 40.974 42.059 0.012 0.000 0.899 245 L HN 0.329 nan 8.230 nan 0.000 0.433 246 R N -0.847 119.666 120.500 0.021 0.000 2.092 246 R HA -0.099 4.241 4.340 -0.000 0.000 0.231 246 R C 2.326 178.669 176.300 0.071 0.000 1.119 246 R CA 1.125 57.247 56.100 0.037 0.000 0.970 246 R CB -0.097 30.209 30.300 0.010 0.000 0.864 246 R HN 0.333 nan 8.270 nan 0.000 0.440 247 M N -0.049 119.567 119.600 0.026 0.000 2.254 247 M HA -0.145 4.335 4.480 -0.000 0.000 0.265 247 M C 2.052 178.467 176.300 0.192 0.000 1.066 247 M CA 1.528 56.870 55.300 0.070 0.000 1.123 247 M CB -0.155 32.376 32.600 -0.116 0.000 1.388 247 M HN 0.178 nan 8.290 nan 0.000 0.425 248 Q N 0.060 119.932 119.800 0.120 0.000 2.119 248 Q HA -0.088 4.252 4.340 -0.000 0.000 0.201 248 Q C 2.229 178.339 176.000 0.184 0.000 0.972 248 Q CA 1.376 57.257 55.803 0.131 0.000 0.847 248 Q CB -0.333 28.447 28.738 0.069 0.000 0.903 248 Q HN 0.668 nan 8.270 nan 0.000 0.433 249 G N 0.839 109.738 108.800 0.166 0.000 2.440 249 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.218 249 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.218 249 G C 1.455 176.456 174.900 0.169 0.000 1.154 249 G CA 1.005 46.213 45.100 0.180 0.000 0.767 249 G HN 0.432 nan 8.290 nan 0.000 0.552 250 A N 1.120 124.049 122.820 0.181 0.000 1.873 250 A HA 0.328 4.648 4.320 -0.000 0.000 0.215 250 A C 2.854 180.510 177.584 0.119 0.000 1.186 250 A CA 2.245 54.365 52.037 0.139 0.000 0.616 250 A CB -0.901 18.217 19.000 0.196 0.000 0.823 250 A HN 0.820 nan 8.150 nan 0.000 0.442 251 A N -1.419 121.508 122.820 0.179 0.000 1.883 251 A HA -0.190 4.130 4.320 -0.000 0.000 0.217 251 A C 2.200 179.900 177.584 0.193 0.000 1.186 251 A CA 1.663 53.797 52.037 0.161 0.000 0.624 251 A CB -0.979 18.127 19.000 0.177 0.000 0.822 251 A HN 0.739 nan 8.150 nan 0.000 0.444 252 Y N 0.225 120.562 120.300 0.061 0.000 2.145 252 Y HA -0.152 4.398 4.550 0.000 0.000 0.286 252 Y C 2.724 178.654 175.900 0.051 0.000 1.145 252 Y CA 1.156 59.285 58.100 0.050 0.000 1.148 252 Y CB -0.240 38.248 38.460 0.045 0.000 0.981 252 Y HN 0.374 nan 8.280 nan 0.000 0.507 253 A N -0.709 122.086 122.820 -0.042 0.000 1.917 253 A HA -0.303 4.017 4.320 -0.000 0.000 0.219 253 A C 2.244 179.786 177.584 -0.069 0.000 1.182 253 A CA 2.497 54.453 52.037 -0.136 0.000 0.633 253 A CB -1.493 17.467 19.000 -0.067 0.000 0.819 253 A HN 0.543 nan 8.150 nan 0.000 0.448 254 T N -2.010 112.546 114.554 0.002 0.000 2.978 254 T HA -0.077 4.273 4.350 -0.000 0.000 0.262 254 T C 2.075 176.803 174.700 0.047 0.000 1.063 254 T CA 1.467 63.583 62.100 0.026 0.000 1.140 254 T CB -0.255 68.641 68.868 0.046 0.000 0.886 254 T HN 0.416 nan 8.240 nan 0.000 0.470 255 R N 1.046 121.591 120.500 0.074 0.000 2.081 255 R HA 0.134 4.474 4.340 -0.000 0.000 0.235 255 R C 2.273 178.614 176.300 0.068 0.000 1.131 255 R CA 1.575 57.734 56.100 0.098 0.000 0.960 255 R CB -1.063 29.349 30.300 0.187 0.000 0.856 255 R HN 0.544 nan 8.270 nan 0.000 0.436 256 I N 0.354 120.929 120.570 0.009 0.000 2.163 256 I HA -0.272 3.898 4.170 -0.000 0.000 0.243 256 I C 2.289 178.510 176.117 0.173 0.000 1.085 256 I CA 1.464 62.769 61.300 0.008 0.000 1.347 256 I CB -0.534 37.399 38.000 -0.111 0.000 1.044 256 I HN 0.311 nan 8.210 nan 0.000 0.408 257 A N 0.351 123.254 122.820 0.139 0.000 1.940 257 A HA -0.247 4.073 4.320 -0.000 0.000 0.219 257 A C 2.185 179.858 177.584 0.148 0.000 1.176 257 A CA 1.838 53.972 52.037 0.162 0.000 0.631 257 A CB -0.566 18.467 19.000 0.054 0.000 0.814 257 A HN 0.454 nan 8.150 nan 0.000 0.446 258 E N -0.618 119.633 120.200 0.085 0.000 2.031 258 E HA -0.221 4.129 4.350 -0.000 0.000 0.193 258 E C 1.846 178.467 176.600 0.034 0.000 0.994 258 E CA 1.242 57.671 56.400 0.047 0.000 0.800 258 E CB -0.207 29.509 29.700 0.027 0.000 0.752 258 E HN 0.688 nan 8.360 nan 0.000 0.447 259 D N -0.196 120.207 120.400 0.004 0.000 2.158 259 D HA -0.198 4.442 4.640 -0.000 0.000 0.197 259 D C 1.570 177.818 176.300 -0.087 0.000 0.995 259 D CA 1.181 55.137 54.000 -0.074 0.000 0.846 259 D CB -0.171 40.537 40.800 -0.154 0.000 0.941 259 D HN 0.118 nan 8.370 nan 0.000 0.456 260 F N 0.292 120.236 119.950 -0.011 0.000 2.113 260 F HA 0.012 4.539 4.527 -0.000 0.000 0.297 260 F C 2.714 178.512 175.800 -0.002 0.000 1.103 260 F CA 1.079 59.074 58.000 -0.009 0.000 1.248 260 F CB -0.264 38.727 39.000 -0.015 0.000 0.999 260 F HN -0.114 nan 8.300 nan 0.000 0.475 261 R N 0.819 121.438 120.500 0.198 0.000 2.096 261 R HA -0.201 4.139 4.340 -0.000 0.000 0.240 261 R C 1.680 178.023 176.300 0.071 0.000 1.139 261 R CA 2.242 58.410 56.100 0.113 0.000 0.952 261 R CB -0.580 29.756 30.300 0.060 0.000 0.854 261 R HN 0.219 nan 8.270 nan 0.000 0.436 262 D N 0.324 120.744 120.400 0.033 0.000 2.178 262 D HA -0.154 4.486 4.640 -0.000 0.000 0.201 262 D C 1.687 178.001 176.300 0.024 0.000 0.980 262 D CA 1.088 55.092 54.000 0.005 0.000 0.842 262 D CB -0.202 40.581 40.800 -0.029 0.000 0.948 262 D HN 0.363 nan 8.370 nan 0.000 0.472 263 R N -0.160 120.361 120.500 0.036 0.000 2.339 263 R HA 0.114 4.454 4.340 -0.000 0.000 0.199 263 R C 1.282 177.615 176.300 0.055 0.000 1.018 263 R CA 0.583 56.704 56.100 0.036 0.000 1.036 263 R CB 0.111 30.434 30.300 0.038 0.000 0.899 263 R HN 0.180 nan 8.270 nan 0.000 0.473 264 G N 0.755 109.599 108.800 0.073 0.000 2.141 264 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.231 264 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.231 264 G C -0.167 174.792 174.900 0.098 0.000 0.984 264 G CA -0.353 44.797 45.100 0.083 0.000 0.660 264 G HN 0.347 nan 8.290 nan 0.000 0.525 265 Q N -0.106 119.763 119.800 0.115 0.000 2.230 265 Q HA 0.472 4.812 4.340 -0.000 0.000 0.253 265 Q C -0.309 175.802 176.000 0.185 0.000 0.919 265 Q CA -0.655 55.192 55.803 0.073 0.000 0.908 265 Q CB 0.943 29.730 28.738 0.082 0.000 1.245 265 Q HN 0.689 nan 8.270 nan 0.000 0.437 266 H N 0.799 119.860 119.070 -0.016 0.000 2.911 266 H HA 0.233 4.789 4.556 -0.000 0.000 0.273 266 H C -0.484 174.814 175.328 -0.050 0.000 1.157 266 H CA -0.814 55.218 56.048 -0.027 0.000 1.402 266 H CB 0.375 30.116 29.762 -0.035 0.000 1.463 266 H HN 0.206 nan 8.280 nan 0.000 0.475 267 V N 4.965 124.919 119.914 0.066 0.000 2.644 267 V HA 0.055 4.175 4.120 -0.000 0.000 0.295 267 V C 0.227 176.315 176.094 -0.011 0.000 1.053 267 V CA -0.739 61.546 62.300 -0.024 0.000 0.987 267 V CB 1.973 33.775 31.823 -0.035 0.000 1.006 267 V HN 0.605 nan 8.190 nan 0.000 0.472 268 L N 6.246 127.448 121.223 -0.035 0.000 2.294 268 L HA 0.570 4.910 4.340 -0.000 0.000 0.283 268 L C -1.085 175.766 176.870 -0.031 0.000 1.015 268 L CA -0.470 54.371 54.840 0.002 0.000 0.831 268 L CB 1.197 43.266 42.059 0.016 0.000 1.217 268 L HN 0.650 nan 8.230 nan 0.000 0.420 269 L N 6.726 127.926 121.223 -0.038 0.000 2.282 269 L HA 0.554 4.894 4.340 -0.000 0.000 0.288 269 L C -0.833 175.972 176.870 -0.108 0.000 1.033 269 L CA -0.047 54.739 54.840 -0.091 0.000 0.807 269 L CB 1.282 43.269 42.059 -0.121 0.000 1.209 269 L HN 0.544 nan 8.230 nan 0.000 0.423 270 I N 6.271 126.781 120.570 -0.100 0.000 2.382 270 I HA 0.333 4.503 4.170 -0.000 0.000 0.285 270 I C -0.633 175.404 176.117 -0.133 0.000 1.007 270 I CA -0.444 60.807 61.300 -0.082 0.000 1.142 270 I CB 1.627 39.607 38.000 -0.033 0.000 1.289 270 I HN 0.635 nan 8.210 nan 0.000 0.453 271 M N 6.763 126.253 119.600 -0.183 0.000 2.044 271 M HA 0.309 4.789 4.480 -0.000 0.000 0.333 271 M C -0.880 175.411 176.300 -0.015 0.000 1.004 271 M CA -0.072 55.159 55.300 -0.114 0.000 0.954 271 M CB 0.503 33.025 32.600 -0.129 0.000 1.468 271 M HN 0.252 nan 8.290 nan 0.000 0.414 272 D N 3.530 123.906 120.400 -0.041 0.000 2.456 272 D HA 0.476 5.116 4.640 -0.000 0.000 0.287 272 D C -1.595 174.695 176.300 -0.016 0.000 1.186 272 D CA 0.321 54.306 54.000 -0.025 0.000 0.916 272 D CB 0.468 41.202 40.800 -0.109 0.000 1.029 272 D HN 0.651 nan 8.370 nan 0.000 0.498 273 S N 0.579 116.309 115.700 0.049 0.000 2.565 273 S HA 0.178 4.648 4.470 -0.000 0.000 0.274 273 S C 0.350 175.029 174.600 0.131 0.000 1.144 273 S CA -0.740 57.513 58.200 0.088 0.000 0.849 273 S CB 1.057 64.305 63.200 0.080 0.000 1.103 273 S HN 0.014 nan 8.310 nan 0.000 0.455 274 L N 1.777 123.088 121.223 0.146 0.000 2.201 274 L HA 0.088 4.428 4.340 -0.000 0.000 0.212 274 L C 2.522 179.458 176.870 0.110 0.000 1.105 274 L CA 2.220 57.138 54.840 0.131 0.000 0.775 274 L CB -1.143 40.968 42.059 0.086 0.000 0.913 274 L HN 1.003 nan 8.230 nan 0.000 0.440 275 T N -1.420 113.176 114.554 0.071 0.000 2.777 275 T HA -0.171 4.179 4.350 -0.000 0.000 0.266 275 T C 2.054 176.799 174.700 0.074 0.000 1.040 275 T CA 1.150 63.277 62.100 0.045 0.000 1.141 275 T CB -0.062 68.831 68.868 0.041 0.000 0.868 275 T HN 0.090 nan 8.240 nan 0.000 0.444 276 R N 0.066 120.618 120.500 0.087 0.000 2.090 276 R HA 0.082 4.422 4.340 -0.000 0.000 0.228 276 R C 1.987 178.336 176.300 0.081 0.000 1.110 276 R CA 0.829 56.974 56.100 0.074 0.000 0.973 276 R CB -0.937 29.402 30.300 0.064 0.000 0.869 276 R HN 0.529 nan 8.270 nan 0.000 0.440 277 Y N 0.366 120.669 120.300 0.006 0.000 2.145 277 Y HA -0.187 4.363 4.550 0.000 0.000 0.286 277 Y C 2.015 177.900 175.900 -0.025 0.000 1.145 277 Y CA 1.692 59.791 58.100 -0.001 0.000 1.148 277 Y CB -0.418 38.047 38.460 0.007 0.000 0.981 277 Y HN 0.077 nan 8.280 nan 0.000 0.507 278 A N 0.271 123.113 122.820 0.037 0.000 1.873 278 A HA -0.201 4.119 4.320 -0.000 0.000 0.215 278 A C 2.296 179.859 177.584 -0.034 0.000 1.186 278 A CA 1.946 53.930 52.037 -0.089 0.000 0.616 278 A CB -0.831 18.065 19.000 -0.172 0.000 0.823 278 A HN 0.588 nan 8.150 nan 0.000 0.442 279 M N -0.517 119.115 119.600 0.053 0.000 2.279 279 M HA -0.147 4.333 4.480 -0.000 0.000 0.264 279 M C 2.338 178.624 176.300 -0.025 0.000 1.062 279 M CA 1.206 56.550 55.300 0.075 0.000 1.099 279 M CB -0.266 32.376 32.600 0.069 0.000 1.394 279 M HN 0.519 nan 8.290 nan 0.000 0.426 280 A N -0.481 122.288 122.820 -0.085 0.000 1.930 280 A HA -0.176 4.144 4.320 -0.000 0.000 0.215 280 A C 1.952 179.447 177.584 -0.147 0.000 1.176 280 A CA 1.451 53.418 52.037 -0.117 0.000 0.632 280 A CB -0.534 18.379 19.000 -0.144 0.000 0.819 280 A HN 0.425 nan 8.150 nan 0.000 0.445 281 Q N 0.333 120.005 119.800 -0.212 0.000 2.124 281 Q HA -0.156 4.184 4.340 -0.000 0.000 0.202 281 Q C 2.136 178.072 176.000 -0.107 0.000 0.977 281 Q CA 2.061 57.751 55.803 -0.189 0.000 0.850 281 Q CB -0.395 28.197 28.738 -0.243 0.000 0.901 281 Q HN 0.636 nan 8.270 nan 0.000 0.429 282 R N 0.001 120.460 120.500 -0.069 0.000 2.083 282 R HA -0.205 4.135 4.340 -0.000 0.000 0.237 282 R C 2.111 178.369 176.300 -0.071 0.000 1.137 282 R CA 1.850 57.924 56.100 -0.044 0.000 0.951 282 R CB -0.284 30.002 30.300 -0.023 0.000 0.851 282 R HN 0.444 nan 8.270 nan 0.000 0.434 283 E N 0.235 120.390 120.200 -0.074 0.000 2.049 283 E HA -0.223 4.127 4.350 -0.000 0.000 0.198 283 E C 2.065 178.618 176.600 -0.078 0.000 1.007 283 E CA 2.048 58.404 56.400 -0.075 0.000 0.809 283 E CB -0.125 29.534 29.700 -0.067 0.000 0.749 283 E HN 0.398 nan 8.360 nan 0.000 0.450 284 I N 0.548 121.070 120.570 -0.079 0.000 2.142 284 I HA -0.307 3.863 4.170 -0.000 0.000 0.240 284 I C 2.560 178.631 176.117 -0.076 0.000 1.078 284 I CA 1.043 62.297 61.300 -0.076 0.000 1.343 284 I CB -0.465 37.492 38.000 -0.071 0.000 1.046 284 I HN 0.190 nan 8.210 nan 0.000 0.405 285 A N 1.189 123.968 122.820 -0.068 0.000 1.873 285 A HA -0.205 4.115 4.320 -0.000 0.000 0.218 285 A C 2.314 179.861 177.584 -0.061 0.000 1.193 285 A CA 1.696 53.700 52.037 -0.055 0.000 0.629 285 A CB -1.017 17.957 19.000 -0.043 0.000 0.826 285 A HN 0.401 nan 8.150 nan 0.000 0.447 286 L N -0.955 120.228 121.223 -0.068 0.000 2.046 286 L HA -0.171 4.169 4.340 -0.000 0.000 0.208 286 L C 2.986 179.800 176.870 -0.094 0.000 1.077 286 L CA 1.016 55.812 54.840 -0.072 0.000 0.747 286 L CB -0.549 41.465 42.059 -0.075 0.000 0.896 286 L HN 0.440 nan 8.230 nan 0.000 0.432 287 A N -0.605 122.149 122.820 -0.110 0.000 2.178 287 A HA -0.111 4.209 4.320 -0.000 0.000 0.218 287 A C 1.928 179.377 177.584 -0.225 0.000 1.157 287 A CA 1.302 53.252 52.037 -0.145 0.000 0.689 287 A CB -0.393 18.527 19.000 -0.133 0.000 0.787 287 A HN 0.347 nan 8.150 nan 0.000 0.465 288 I N -1.950 118.498 120.570 -0.203 0.000 3.956 288 I HA 0.265 4.435 4.170 -0.000 0.000 0.333 288 I C 1.552 177.579 176.117 -0.151 0.000 1.302 288 I CA 1.001 62.132 61.300 -0.282 0.000 1.122 288 I CB 0.504 38.421 38.000 -0.139 0.000 1.013 288 I HN 0.409 nan 8.210 nan 0.000 0.405 289 G N 0.455 109.193 108.800 -0.103 0.000 2.176 289 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.232 289 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.232 289 G C 0.452 175.341 174.900 -0.019 0.000 0.986 289 G CA -0.004 45.068 45.100 -0.047 0.000 0.643 289 G HN 0.392 nan 8.290 nan 0.000 0.522 290 E N 1.843 122.030 120.200 -0.020 0.000 2.328 290 E HA 0.358 4.708 4.350 -0.000 0.000 0.265 290 E C -2.072 174.526 176.600 -0.003 0.000 1.057 290 E CA -1.543 54.853 56.400 -0.005 0.000 0.916 290 E CB 0.574 30.272 29.700 -0.004 0.000 0.993 290 E HN 0.189 nan 8.360 nan 0.000 0.446 291 P HA 0.068 nan 4.420 nan 0.000 0.268 291 P C -2.486 174.827 177.300 0.022 0.000 1.204 291 P CA -0.986 62.118 63.100 0.008 0.000 0.768 291 P CB 0.297 32.004 31.700 0.011 0.000 0.842 292 P HA 0.066 nan 4.420 nan 0.000 0.276 292 P C -0.128 177.213 177.300 0.068 0.000 1.235 292 P CA 0.077 63.202 63.100 0.041 0.000 0.772 292 P CB 1.204 32.908 31.700 0.006 0.000 0.871 293 A N 4.629 127.524 122.820 0.125 0.000 1.858 293 A HA 0.119 4.439 4.320 -0.000 0.000 0.215 293 A C 0.849 178.499 177.584 0.110 0.000 1.320 293 A CA 1.409 53.517 52.037 0.118 0.000 0.601 293 A CB -1.317 17.783 19.000 0.167 0.000 0.976 293 A HN 0.622 nan 8.150 nan 0.000 0.470 294 T N -1.110 113.552 114.554 0.180 0.000 2.771 294 T HA 0.463 4.813 4.350 -0.000 0.000 0.281 294 T C -0.270 174.560 174.700 0.216 0.000 0.982 294 T CA -0.093 62.097 62.100 0.149 0.000 0.978 294 T CB 0.945 69.866 68.868 0.087 0.000 0.930 294 T HN 0.835 nan 8.240 nan 0.000 0.447 295 K N 1.710 122.179 120.400 0.116 0.000 4.116 295 K HA -0.247 4.073 4.320 -0.000 0.000 0.277 295 K C 1.129 177.708 176.600 -0.034 0.000 0.835 295 K CA 0.830 57.155 56.287 0.064 0.000 0.740 295 K CB -2.353 30.203 32.500 0.092 0.000 1.714 295 K HN 1.797 nan 8.250 nan 0.000 0.433 296 G N 0.190 108.954 108.800 -0.060 0.000 2.396 296 G HA2 -0.385 3.575 3.960 -0.000 0.000 0.242 296 G HA3 -0.385 3.575 3.960 -0.000 0.000 0.242 296 G C 0.044 174.832 174.900 -0.186 0.000 1.069 296 G CA 0.481 45.476 45.100 -0.176 0.000 0.633 296 G HN 0.598 nan 8.290 nan 0.000 0.517 297 Y N 2.608 122.936 120.300 0.046 0.000 2.436 297 Y HA 0.441 4.991 4.550 -0.000 0.000 0.336 297 Y C -1.671 174.272 175.900 0.071 0.000 1.049 297 Y CA -1.589 56.523 58.100 0.019 0.000 1.294 297 Y CB 0.839 39.301 38.460 0.004 0.000 1.179 297 Y HN 0.102 nan 8.280 nan 0.000 0.520 298 P HA 0.077 nan 4.420 nan 0.000 0.274 298 P C -2.033 175.363 177.300 0.160 0.000 1.246 298 P CA -1.328 61.839 63.100 0.111 0.000 0.795 298 P CB 0.635 32.357 31.700 0.038 0.000 1.006 299 P HA -0.207 nan 4.420 nan 0.000 0.216 299 P C 1.509 178.896 177.300 0.145 0.000 1.150 299 P CA 1.782 65.007 63.100 0.209 0.000 0.837 299 P CB -0.388 31.386 31.700 0.124 0.000 0.786 300 S N -0.932 114.803 115.700 0.058 0.000 2.387 300 S HA -0.182 4.288 4.470 -0.000 0.000 0.230 300 S C 1.979 176.559 174.600 -0.034 0.000 1.035 300 S CA 1.704 59.913 58.200 0.015 0.000 1.014 300 S CB -1.910 61.284 63.200 -0.010 0.000 0.836 300 S HN -0.034 nan 8.310 nan 0.000 0.466 301 V N 1.199 121.038 119.914 -0.125 0.000 2.282 301 V HA -0.182 3.938 4.120 -0.000 0.000 0.249 301 V C 2.240 178.109 176.094 -0.375 0.000 1.057 301 V CA 2.150 64.260 62.300 -0.316 0.000 1.032 301 V CB -1.155 30.342 31.823 -0.544 0.000 0.645 301 V HN 0.553 nan 8.190 nan 0.000 0.447 302 F N 0.285 120.223 119.950 -0.019 0.000 2.502 302 F HA 0.048 4.576 4.527 0.001 0.000 0.298 302 F C 2.221 178.014 175.800 -0.012 0.000 1.111 302 F CA 0.867 58.848 58.000 -0.031 0.000 1.445 302 F CB -0.508 38.470 39.000 -0.037 0.000 1.081 302 F HN 0.108 nan 8.300 nan 0.000 0.558 303 A N -0.484 122.400 122.820 0.106 0.000 1.984 303 A HA -0.032 4.288 4.320 -0.000 0.000 0.214 303 A C 2.070 179.687 177.584 0.056 0.000 1.173 303 A CA 0.800 52.882 52.037 0.075 0.000 0.673 303 A CB -0.249 18.787 19.000 0.060 0.000 0.830 303 A HN 0.100 nan 8.150 nan 0.000 0.453 304 K N -0.220 120.208 120.400 0.048 0.000 2.025 304 K HA 0.005 4.325 4.320 -0.000 0.000 0.207 304 K C 1.650 178.338 176.600 0.146 0.000 1.049 304 K CA 1.050 57.403 56.287 0.110 0.000 0.933 304 K CB -0.559 32.004 32.500 0.104 0.000 0.714 304 K HN 0.317 nan 8.250 nan 0.000 0.438 305 L N 1.066 122.344 121.223 0.092 0.000 1.990 305 L HA -0.182 4.158 4.340 -0.000 0.000 0.213 305 L C -1.005 175.820 176.870 -0.075 0.000 1.072 305 L CA 2.190 57.032 54.840 0.003 0.000 0.755 305 L CB -1.501 40.537 42.059 -0.035 0.000 0.889 305 L HN 0.232 nan 8.230 nan 0.000 0.432 306 P HA -0.200 nan 4.420 nan 0.000 0.216 306 P C 1.342 178.612 177.300 -0.051 0.000 1.150 306 P CA 2.070 65.141 63.100 -0.049 0.000 0.837 306 P CB -0.024 31.674 31.700 -0.005 0.000 0.786 307 A N -0.401 122.409 122.820 -0.016 0.000 1.969 307 A HA -0.127 4.193 4.320 -0.000 0.000 0.218 307 A C 2.207 179.772 177.584 -0.031 0.000 1.169 307 A CA 1.294 53.330 52.037 -0.002 0.000 0.635 307 A CB -1.439 17.582 19.000 0.035 0.000 0.810 307 A HN 0.197 nan 8.150 nan 0.000 0.445 308 L N -0.200 120.968 121.223 -0.092 0.000 2.023 308 L HA -0.033 4.307 4.340 -0.000 0.000 0.205 308 L C 2.320 179.092 176.870 -0.162 0.000 1.073 308 L CA 1.901 56.639 54.840 -0.171 0.000 0.745 308 L CB -0.719 41.065 42.059 -0.458 0.000 0.900 308 L HN 0.110 nan 8.230 nan 0.000 0.435 309 V N 0.139 119.880 119.914 -0.288 0.000 2.392 309 V HA -0.253 3.867 4.120 -0.000 0.000 0.249 309 V C 2.623 178.644 176.094 -0.122 0.000 1.059 309 V CA 1.821 63.894 62.300 -0.379 0.000 1.051 309 V CB -0.826 30.691 31.823 -0.510 0.000 0.658 309 V HN 0.486 nan 8.190 nan 0.000 0.455 310 E N -0.034 120.118 120.200 -0.080 0.000 2.338 310 E HA -0.139 4.211 4.350 -0.000 0.000 0.197 310 E C 2.354 178.960 176.600 0.009 0.000 1.007 310 E CA 0.603 56.988 56.400 -0.025 0.000 0.849 310 E CB -0.123 29.568 29.700 -0.015 0.000 0.774 310 E HN 0.586 nan 8.360 nan 0.000 0.506 311 R N 0.169 120.680 120.500 0.019 0.000 2.153 311 R HA 0.087 4.427 4.340 -0.000 0.000 0.218 311 R C 1.270 177.597 176.300 0.045 0.000 1.072 311 R CA 0.451 56.573 56.100 0.037 0.000 0.990 311 R CB 0.020 30.344 30.300 0.041 0.000 0.889 311 R HN -0.046 nan 8.270 nan 0.000 0.452 312 A N 0.759 123.621 122.820 0.070 0.000 2.267 312 A HA 0.550 4.870 4.320 -0.000 0.000 0.271 312 A C 0.561 178.167 177.584 0.037 0.000 1.131 312 A CA 0.441 52.521 52.037 0.072 0.000 0.818 312 A CB 0.054 19.141 19.000 0.145 0.000 1.118 312 A HN 0.378 nan 8.150 nan 0.000 0.501 313 G N -0.840 107.970 108.800 0.017 0.000 2.541 313 G HA2 -0.093 3.867 3.960 -0.000 0.000 0.686 313 G HA3 -0.093 3.867 3.960 -0.000 0.000 0.686 313 G C -0.503 174.385 174.900 -0.020 0.000 1.286 313 G CA -0.301 44.795 45.100 -0.006 0.000 0.894 313 G HN 1.034 nan 8.290 nan 0.000 0.575 314 N N 0.175 118.856 118.700 -0.033 0.000 2.353 314 N HA 0.368 5.108 4.740 -0.000 0.000 0.248 314 N C 1.175 176.659 175.510 -0.043 0.000 1.240 314 N CA 0.875 53.900 53.050 -0.043 0.000 0.862 314 N CB 0.533 38.992 38.487 -0.047 0.000 1.086 314 N HN 0.927 nan 8.380 nan 0.000 0.453 315 G N 1.008 109.777 108.800 -0.052 0.000 2.543 315 G HA2 0.276 4.236 3.960 -0.000 0.000 0.267 315 G HA3 0.276 4.236 3.960 -0.000 0.000 0.267 315 G C 1.208 176.037 174.900 -0.117 0.000 1.406 315 G CA -0.517 44.535 45.100 -0.080 0.000 1.048 315 G HN 0.621 nan 8.290 nan 0.000 0.548 316 I N -1.721 118.734 120.570 -0.192 0.000 2.043 316 I HA -0.137 4.033 4.170 -0.000 0.000 0.223 316 I C 1.795 177.662 176.117 -0.416 0.000 1.026 316 I CA 1.235 62.324 61.300 -0.351 0.000 1.326 316 I CB -0.908 36.850 38.000 -0.404 0.000 1.060 316 I HN 0.367 nan 8.210 nan 0.000 0.386 317 H N 0.253 119.321 119.070 -0.005 0.000 4.454 317 H HA 0.264 4.820 4.556 -0.000 0.000 0.151 317 H C 2.063 177.400 175.328 0.015 0.000 1.426 317 H CA 0.568 56.624 56.048 0.013 0.000 1.393 317 H CB -0.823 28.949 29.762 0.016 0.000 1.523 317 H HN 0.418 nan 8.280 nan 0.000 0.420 318 G N -0.204 108.709 108.800 0.188 0.000 2.394 318 G HA2 0.081 4.041 3.960 -0.000 0.000 0.215 318 G HA3 0.081 4.041 3.960 -0.000 0.000 0.215 318 G C 0.686 175.635 174.900 0.082 0.000 1.165 318 G CA 0.845 46.008 45.100 0.105 0.000 0.784 318 G HN 0.607 nan 8.290 nan 0.000 0.535 319 G N -2.303 106.550 108.800 0.088 0.000 2.605 319 G HA2 0.640 4.600 3.960 -0.000 0.000 0.296 319 G HA3 0.640 4.600 3.960 -0.000 0.000 0.296 319 G C -0.375 174.579 174.900 0.091 0.000 1.304 319 G CA -0.141 45.018 45.100 0.099 0.000 0.941 319 G HN 1.350 nan 8.290 nan 0.000 0.475 320 G N -0.783 108.093 108.800 0.126 0.000 3.438 320 G HA2 0.492 4.452 3.960 -0.000 0.000 0.684 320 G HA3 0.492 4.452 3.960 -0.000 0.000 0.684 320 G C -0.393 174.522 174.900 0.026 0.000 1.192 320 G CA 0.202 45.366 45.100 0.107 0.000 1.013 320 G HN 2.142 nan 8.290 nan 0.000 0.530 321 S N 1.229 116.943 115.700 0.024 0.000 2.572 321 S HA 0.763 5.233 4.470 -0.000 0.000 0.274 321 S C -0.514 174.084 174.600 -0.003 0.000 1.150 321 S CA -0.978 57.198 58.200 -0.039 0.000 0.944 321 S CB 1.809 64.918 63.200 -0.151 0.000 1.071 321 S HN 1.087 nan 8.310 nan 0.000 0.479 322 I N 2.986 123.551 120.570 -0.008 0.000 2.337 322 I HA 0.288 4.458 4.170 -0.000 0.000 0.285 322 I C -0.189 175.917 176.117 -0.019 0.000 1.041 322 I CA -0.330 60.969 61.300 -0.002 0.000 1.199 322 I CB 1.355 39.360 38.000 0.009 0.000 1.370 322 I HN 0.611 nan 8.210 nan 0.000 0.470 323 T N 5.655 120.196 114.554 -0.022 0.000 2.771 323 T HA 0.650 5.000 4.350 -0.000 0.000 0.291 323 T C 0.115 174.780 174.700 -0.057 0.000 0.954 323 T CA -0.402 61.672 62.100 -0.043 0.000 1.045 323 T CB 1.376 70.239 68.868 -0.010 0.000 0.917 323 T HN 0.684 nan 8.240 nan 0.000 0.484 324 A N 2.917 125.651 122.820 -0.144 0.000 2.423 324 A HA 0.900 5.220 4.320 -0.000 0.000 0.304 324 A C -1.467 175.867 177.584 -0.416 0.000 1.104 324 A CA -0.743 51.152 52.037 -0.237 0.000 0.757 324 A CB 1.201 19.990 19.000 -0.352 0.000 1.313 324 A HN 0.719 nan 8.150 nan 0.000 0.423 325 F N 0.430 120.188 119.950 -0.320 0.000 2.539 325 F HA 0.508 5.035 4.527 -0.000 0.000 0.328 325 F C -1.208 174.420 175.800 -0.286 0.000 1.148 325 F CA -0.010 57.891 58.000 -0.164 0.000 0.940 325 F CB 1.901 40.853 39.000 -0.080 0.000 1.194 325 F HN 0.487 nan 8.300 nan 0.000 0.438 326 Y N 1.623 122.021 120.300 0.163 0.000 2.334 326 Y HA 0.388 4.938 4.550 -0.000 0.000 0.336 326 Y C 0.522 176.544 175.900 0.203 0.000 0.960 326 Y CA -0.903 57.278 58.100 0.135 0.000 1.164 326 Y CB 1.670 40.177 38.460 0.078 0.000 1.155 326 Y HN 0.406 nan 8.280 nan 0.000 0.478 327 T N 3.957 118.679 114.554 0.280 0.000 2.884 327 T HA 0.438 4.788 4.350 -0.000 0.000 0.298 327 T C -0.440 174.386 174.700 0.209 0.000 0.998 327 T CA -0.317 61.930 62.100 0.246 0.000 1.124 327 T CB 0.414 69.377 68.868 0.157 0.000 0.931 327 T HN 0.320 nan 8.240 nan 0.000 0.531 328 V N 5.212 125.246 119.914 0.200 0.000 2.525 328 V HA 0.334 4.454 4.120 -0.000 0.000 0.299 328 V C -0.233 175.874 176.094 0.022 0.000 1.034 328 V CA -0.869 61.445 62.300 0.023 0.000 0.863 328 V CB 1.714 33.384 31.823 -0.256 0.000 0.999 328 V HN 0.731 nan 8.190 nan 0.000 0.423 329 L N 4.918 126.150 121.223 0.015 0.000 2.334 329 L HA 0.337 4.677 4.340 -0.000 0.000 0.286 329 L C 0.849 177.719 176.870 0.000 0.000 1.108 329 L CA -0.254 54.606 54.840 0.034 0.000 0.875 329 L CB 0.483 42.571 42.059 0.047 0.000 1.246 329 L HN 0.776 nan 8.230 nan 0.000 0.439 330 T N -1.981 112.571 114.554 -0.003 0.000 2.834 330 T HA 0.084 4.434 4.350 -0.000 0.000 0.298 330 T C 1.062 175.774 174.700 0.019 0.000 0.966 330 T CA -0.832 61.257 62.100 -0.019 0.000 1.141 330 T CB 1.105 69.971 68.868 -0.004 0.000 0.905 330 T HN 0.419 nan 8.240 nan 0.000 0.535 331 E N 2.316 122.526 120.200 0.017 0.000 2.492 331 E HA 0.018 4.368 4.350 -0.000 0.000 0.204 331 E C 1.328 177.947 176.600 0.032 0.000 1.073 331 E CA 0.949 57.367 56.400 0.029 0.000 0.887 331 E CB -0.657 29.060 29.700 0.029 0.000 0.813 331 E HN 1.108 nan 8.360 nan 0.000 0.562 332 G N 0.740 109.561 108.800 0.035 0.000 3.181 332 G HA2 -0.042 3.918 3.960 -0.000 0.000 0.230 332 G HA3 -0.042 3.918 3.960 -0.000 0.000 0.230 332 G C -0.256 174.669 174.900 0.042 0.000 2.154 332 G CA -0.262 44.862 45.100 0.040 0.000 1.020 332 G HN 0.002 nan 8.290 nan 0.000 0.494 333 D N -0.736 119.694 120.400 0.050 0.000 2.978 333 D HA -0.147 4.493 4.640 -0.000 0.000 0.205 333 D C 0.423 176.747 176.300 0.040 0.000 1.093 333 D CA 1.951 55.985 54.000 0.058 0.000 1.006 333 D CB -0.647 40.188 40.800 0.060 0.000 1.116 333 D HN 0.567 nan 8.370 nan 0.000 0.419 334 D N 0.112 120.527 120.400 0.026 0.000 2.364 334 D HA 0.102 4.742 4.640 -0.000 0.000 0.236 334 D C 1.620 177.924 176.300 0.006 0.000 1.221 334 D CA 0.526 54.536 54.000 0.017 0.000 0.891 334 D CB 0.535 41.344 40.800 0.015 0.000 1.190 334 D HN 0.152 nan 8.370 nan 0.000 0.449 335 Q N -0.260 119.544 119.800 0.005 0.000 2.385 335 Q HA 0.079 4.419 4.340 -0.000 0.000 0.195 335 Q C 0.246 176.240 176.000 -0.011 0.000 0.977 335 Q CA 0.504 56.305 55.803 -0.003 0.000 0.856 335 Q CB -0.196 28.545 28.738 0.006 0.000 0.986 335 Q HN 0.252 nan 8.270 nan 0.000 0.558 336 Q N 2.022 121.821 119.800 -0.002 0.000 2.771 336 Q HA 0.081 4.421 4.340 -0.000 0.000 0.207 336 Q C -1.291 174.717 176.000 0.013 0.000 1.250 336 Q CA 0.682 56.485 55.803 0.001 0.000 0.894 336 Q CB -0.769 27.972 28.738 0.006 0.000 1.733 336 Q HN 0.159 nan 8.270 nan 0.000 0.503 337 D N 0.232 120.633 120.400 0.002 0.000 2.602 337 D HA 0.155 4.795 4.640 -0.000 0.000 0.245 337 D C -1.956 174.348 176.300 0.006 0.000 1.325 337 D CA -1.510 52.505 54.000 0.025 0.000 0.952 337 D CB 1.812 42.616 40.800 0.006 0.000 1.317 337 D HN -0.024 nan 8.370 nan 0.000 0.577 338 P HA -0.276 nan 4.420 nan 0.000 0.222 338 P C 1.310 178.676 177.300 0.110 0.000 1.159 338 P CA 1.079 64.250 63.100 0.118 0.000 0.920 338 P CB 0.210 32.112 31.700 0.336 0.000 0.793 339 I N -1.202 119.320 120.570 -0.080 0.000 2.252 339 I HA -0.170 4.000 4.170 -0.000 0.000 0.245 339 I C 2.292 178.314 176.117 -0.160 0.000 1.102 339 I CA 1.607 62.818 61.300 -0.149 0.000 1.385 339 I CB -2.148 35.708 38.000 -0.240 0.000 1.064 339 I HN -0.087 nan 8.210 nan 0.000 0.414 340 A N 0.791 123.469 122.820 -0.237 0.000 1.902 340 A HA -0.208 4.112 4.320 -0.000 0.000 0.217 340 A C 2.018 179.454 177.584 -0.247 0.000 1.181 340 A CA 1.931 53.704 52.037 -0.440 0.000 0.623 340 A CB -0.635 18.083 19.000 -0.470 0.000 0.818 340 A HN 0.377 nan 8.150 nan 0.000 0.443 341 D N -0.689 119.637 120.400 -0.122 0.000 2.144 341 D HA -0.091 4.549 4.640 -0.000 0.000 0.200 341 D C 2.191 178.477 176.300 -0.023 0.000 0.978 341 D CA 1.518 55.484 54.000 -0.057 0.000 0.833 341 D CB -0.283 40.483 40.800 -0.057 0.000 0.961 341 D HN 0.408 nan 8.370 nan 0.000 0.470 342 S N -0.073 115.627 115.700 0.001 0.000 2.402 342 S HA -0.058 4.412 4.470 -0.000 0.000 0.229 342 S C 1.965 176.583 174.600 0.029 0.000 1.021 342 S CA 1.158 59.387 58.200 0.047 0.000 0.974 342 S CB 0.030 63.345 63.200 0.192 0.000 0.800 342 S HN 0.249 nan 8.310 nan 0.000 0.484 343 A N 1.892 124.718 122.820 0.009 0.000 1.873 343 A HA -0.009 4.311 4.320 -0.000 0.000 0.215 343 A C 2.165 179.843 177.584 0.157 0.000 1.186 343 A CA 1.187 53.259 52.037 0.058 0.000 0.616 343 A CB -0.591 18.447 19.000 0.063 0.000 0.823 343 A HN 0.595 nan 8.150 nan 0.000 0.442 344 R N -0.254 120.361 120.500 0.193 0.000 2.103 344 R HA -0.146 4.194 4.340 -0.000 0.000 0.242 344 R C 2.348 178.730 176.300 0.137 0.000 1.142 344 R CA 1.340 57.570 56.100 0.217 0.000 0.960 344 R CB -0.523 29.861 30.300 0.140 0.000 0.858 344 R HN 0.507 nan 8.270 nan 0.000 0.439 345 A N 1.172 124.037 122.820 0.076 0.000 2.015 345 A HA -0.111 4.209 4.320 -0.000 0.000 0.219 345 A C 1.909 179.511 177.584 0.031 0.000 1.163 345 A CA 1.337 53.401 52.037 0.044 0.000 0.646 345 A CB -0.214 18.796 19.000 0.018 0.000 0.806 345 A HN 0.366 nan 8.150 nan 0.000 0.448 346 I N -3.298 117.287 120.570 0.025 0.000 4.057 346 I HA 0.318 4.488 4.170 -0.000 0.000 0.334 346 I C -0.047 176.066 176.117 -0.007 0.000 1.308 346 I CA -0.667 60.631 61.300 -0.002 0.000 1.125 346 I CB -0.238 37.744 38.000 -0.029 0.000 1.034 346 I HN -0.103 nan 8.210 nan 0.000 0.401 347 L N 1.772 123.011 121.223 0.027 0.000 2.421 347 L HA 0.328 4.668 4.340 -0.000 0.000 0.263 347 L C 0.545 177.424 176.870 0.015 0.000 1.122 347 L CA 0.254 55.110 54.840 0.027 0.000 0.804 347 L CB 0.256 42.367 42.059 0.086 0.000 1.150 347 L HN 0.172 nan 8.230 nan 0.000 0.457 348 D N 1.886 122.272 120.400 -0.023 0.000 2.676 348 D HA 0.378 5.018 4.640 -0.000 0.000 0.239 348 D C 0.792 177.039 176.300 -0.088 0.000 1.213 348 D CA 0.439 54.407 54.000 -0.053 0.000 0.835 348 D CB 0.278 41.036 40.800 -0.070 0.000 1.009 348 D HN 0.674 nan 8.370 nan 0.000 0.479 349 G N 1.031 109.785 108.800 -0.075 0.000 2.371 349 G HA2 0.030 3.990 3.960 -0.000 0.000 0.663 349 G HA3 0.030 3.990 3.960 -0.000 0.000 0.663 349 G C -1.174 173.600 174.900 -0.209 0.000 1.311 349 G CA -1.122 43.847 45.100 -0.218 0.000 0.985 349 G HN 0.354 nan 8.290 nan 0.000 0.566 350 H N -1.848 117.093 119.070 -0.216 0.000 3.064 350 H HA 0.644 5.200 4.556 -0.000 0.000 0.352 350 H C -1.398 173.781 175.328 -0.248 0.000 1.260 350 H CA -1.020 54.797 56.048 -0.385 0.000 1.160 350 H CB 1.495 30.706 29.762 -0.917 0.000 1.879 350 H HN 0.641 nan 8.280 nan 0.000 0.544 351 I N 2.371 122.903 120.570 -0.063 0.000 2.339 351 I HA 0.239 4.409 4.170 -0.000 0.000 0.290 351 I C -0.257 175.880 176.117 0.033 0.000 0.994 351 I CA -1.041 60.279 61.300 0.033 0.000 1.191 351 I CB 1.821 39.902 38.000 0.135 0.000 1.343 351 I HN 0.239 nan 8.210 nan 0.000 0.458 352 V N 7.498 127.460 119.914 0.081 0.000 2.398 352 V HA 0.401 4.521 4.120 -0.000 0.000 0.286 352 V C 0.192 176.365 176.094 0.132 0.000 1.026 352 V CA -0.559 61.822 62.300 0.135 0.000 0.868 352 V CB 1.537 33.455 31.823 0.158 0.000 0.982 352 V HN 0.484 nan 8.190 nan 0.000 0.443 353 L N 4.142 125.454 121.223 0.149 0.000 2.343 353 L HA 0.675 5.014 4.340 -0.000 0.000 0.275 353 L C 0.334 177.271 176.870 0.110 0.000 1.056 353 L CA -0.131 54.785 54.840 0.127 0.000 0.804 353 L CB 1.898 44.039 42.059 0.137 0.000 1.203 353 L HN 0.754 nan 8.230 nan 0.000 0.440 354 S N 1.936 117.684 115.700 0.079 0.000 2.561 354 S HA 0.338 4.808 4.470 -0.000 0.000 0.303 354 S C 0.583 175.205 174.600 0.037 0.000 1.110 354 S CA -0.879 57.357 58.200 0.059 0.000 1.034 354 S CB 2.003 65.228 63.200 0.043 0.000 1.010 354 S HN 0.739 nan 8.310 nan 0.000 0.482 355 R N 3.292 123.820 120.500 0.047 0.000 2.103 355 R HA -0.118 4.222 4.340 -0.000 0.000 0.242 355 R C 2.331 178.641 176.300 0.017 0.000 1.142 355 R CA 1.879 58.004 56.100 0.042 0.000 0.960 355 R CB -0.388 29.942 30.300 0.051 0.000 0.858 355 R HN 0.826 nan 8.270 nan 0.000 0.439 356 R N 0.063 120.571 120.500 0.014 0.000 2.103 356 R HA -0.188 4.152 4.340 -0.000 0.000 0.242 356 R C 1.949 178.239 176.300 -0.016 0.000 1.142 356 R CA 1.782 57.885 56.100 0.004 0.000 0.960 356 R CB -0.305 29.997 30.300 0.003 0.000 0.858 356 R HN 0.290 nan 8.270 nan 0.000 0.439 357 L N 0.498 121.697 121.223 -0.040 0.000 2.044 357 L HA 0.024 4.363 4.340 -0.000 0.000 0.205 357 L C 2.488 179.256 176.870 -0.170 0.000 1.075 357 L CA 1.965 56.757 54.840 -0.080 0.000 0.747 357 L CB -0.921 41.092 42.059 -0.078 0.000 0.903 357 L HN 0.286 nan 8.230 nan 0.000 0.435 358 A N -0.805 121.870 122.820 -0.240 0.000 1.883 358 A HA -0.255 4.065 4.320 -0.000 0.000 0.217 358 A C 2.161 179.649 177.584 -0.161 0.000 1.186 358 A CA 1.860 53.612 52.037 -0.475 0.000 0.624 358 A CB -0.632 18.321 19.000 -0.079 0.000 0.822 358 A HN 0.528 nan 8.150 nan 0.000 0.444 359 E N -0.475 119.714 120.200 -0.017 0.000 2.209 359 E HA -0.115 4.235 4.350 -0.000 0.000 0.196 359 E C 1.695 178.327 176.600 0.052 0.000 0.993 359 E CA 0.863 57.291 56.400 0.047 0.000 0.819 359 E CB -0.233 29.493 29.700 0.044 0.000 0.745 359 E HN 0.612 nan 8.360 nan 0.000 0.477 360 A N 0.172 123.008 122.820 0.026 0.000 2.370 360 A HA 0.331 4.651 4.320 -0.000 0.000 0.238 360 A C 1.461 179.098 177.584 0.088 0.000 1.289 360 A CA 0.534 52.612 52.037 0.068 0.000 0.885 360 A CB -0.366 18.684 19.000 0.084 0.000 0.961 360 A HN 0.276 nan 8.150 nan 0.000 0.499 361 G N -0.653 108.193 108.800 0.076 0.000 2.203 361 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.263 361 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.263 361 G C 0.048 175.019 174.900 0.119 0.000 1.012 361 G CA 0.748 45.953 45.100 0.175 0.000 0.749 361 G HN 1.044 nan 8.290 nan 0.000 0.512 362 H N -0.569 118.389 119.070 -0.188 0.000 2.685 362 H HA 0.639 5.195 4.556 -0.000 0.000 0.286 362 H C -0.480 174.667 175.328 -0.301 0.000 1.102 362 H CA -0.602 55.367 56.048 -0.131 0.000 1.254 362 H CB 0.142 29.870 29.762 -0.056 0.000 1.397 362 H HN 0.283 nan 8.280 nan 0.000 0.473 363 Y N 4.243 124.479 120.300 -0.107 0.000 2.477 363 Y HA 0.318 4.868 4.550 -0.000 0.000 0.347 363 Y C -2.214 173.611 175.900 -0.124 0.000 0.981 363 Y CA -2.834 55.236 58.100 -0.050 0.000 1.033 363 Y CB 1.684 40.133 38.460 -0.018 0.000 1.245 363 Y HN 0.655 nan 8.280 nan 0.000 0.455 364 P HA 0.035 nan 4.420 nan 0.000 0.266 364 P C -0.463 176.938 177.300 0.168 0.000 1.195 364 P CA 0.061 63.266 63.100 0.175 0.000 0.768 364 P CB 0.709 32.462 31.700 0.087 0.000 0.838 365 A N 4.326 127.239 122.820 0.156 0.000 2.728 365 A HA 0.121 4.441 4.320 -0.000 0.000 0.258 365 A C 0.565 178.226 177.584 0.128 0.000 1.454 365 A CA -0.166 51.925 52.037 0.091 0.000 1.146 365 A CB -1.405 17.562 19.000 -0.055 0.000 0.985 365 A HN 0.487 nan 8.150 nan 0.000 0.603 366 I N 0.809 121.475 120.570 0.161 0.000 2.505 366 I HA 0.007 4.177 4.170 -0.000 0.000 0.287 366 I C 0.067 176.255 176.117 0.119 0.000 1.104 366 I CA -0.199 61.179 61.300 0.131 0.000 1.387 366 I CB 0.552 38.624 38.000 0.120 0.000 1.404 366 I HN 0.199 nan 8.210 nan 0.000 0.528 367 D N 7.829 128.285 120.400 0.094 0.000 2.374 367 D HA 0.099 4.739 4.640 -0.000 0.000 0.240 367 D C 1.093 177.440 176.300 0.080 0.000 1.229 367 D CA -0.252 53.795 54.000 0.077 0.000 0.895 367 D CB 0.831 41.676 40.800 0.075 0.000 1.046 367 D HN 0.303 nan 8.370 nan 0.000 0.498 368 I N 3.647 124.267 120.570 0.085 0.000 2.142 368 I HA -0.271 3.899 4.170 -0.000 0.000 0.240 368 I C 2.176 178.327 176.117 0.057 0.000 1.078 368 I CA 1.233 62.575 61.300 0.070 0.000 1.343 368 I CB -0.875 37.175 38.000 0.084 0.000 1.046 368 I HN 0.622 nan 8.210 nan 0.000 0.405 369 E N 1.650 121.889 120.200 0.065 0.000 2.110 369 E HA -0.172 4.178 4.350 -0.000 0.000 0.193 369 E C 2.042 178.675 176.600 0.056 0.000 0.988 369 E CA 1.504 57.937 56.400 0.055 0.000 0.804 369 E CB -0.385 29.345 29.700 0.051 0.000 0.745 369 E HN 0.407 nan 8.360 nan 0.000 0.458 370 A N 0.907 123.769 122.820 0.071 0.000 2.169 370 A HA 0.117 4.437 4.320 -0.000 0.000 0.212 370 A C 0.999 178.656 177.584 0.122 0.000 1.153 370 A CA 0.042 52.140 52.037 0.101 0.000 0.756 370 A CB 0.156 19.222 19.000 0.109 0.000 0.813 370 A HN 0.159 nan 8.150 nan 0.000 0.471 371 S N -0.766 114.968 115.700 0.057 0.000 2.608 371 S HA 0.678 5.148 4.470 -0.000 0.000 0.291 371 S C -0.734 173.789 174.600 -0.128 0.000 1.146 371 S CA -0.328 57.860 58.200 -0.021 0.000 1.043 371 S CB 1.475 64.677 63.200 0.003 0.000 1.037 371 S HN 0.402 nan 8.310 nan 0.000 0.520 372 I N 1.088 121.468 120.570 -0.317 0.000 2.802 372 I HA 0.605 4.775 4.170 -0.000 0.000 0.298 372 I C -1.080 174.885 176.117 -0.253 0.000 1.176 372 I CA -0.198 60.939 61.300 -0.272 0.000 1.025 372 I CB 2.310 40.119 38.000 -0.319 0.000 1.243 372 I HN 0.540 nan 8.210 nan 0.000 0.424 373 S N 5.795 121.405 115.700 -0.150 0.000 2.707 373 S HA 0.522 4.992 4.470 -0.000 0.000 0.312 373 S C 0.717 175.247 174.600 -0.118 0.000 1.116 373 S CA -0.607 57.521 58.200 -0.121 0.000 1.078 373 S CB 0.777 63.939 63.200 -0.064 0.000 0.997 373 S HN 0.737 nan 8.310 nan 0.000 0.477 374 R N 2.889 123.315 120.500 -0.122 0.000 2.148 374 R HA 0.049 4.389 4.340 -0.000 0.000 0.223 374 R C 1.801 178.039 176.300 -0.103 0.000 1.088 374 R CA 1.255 57.292 56.100 -0.104 0.000 0.985 374 R CB -0.100 30.147 30.300 -0.087 0.000 0.880 374 R HN 0.640 nan 8.270 nan 0.000 0.451 375 A N 0.548 123.307 122.820 -0.101 0.000 2.275 375 A HA 0.052 4.372 4.320 -0.000 0.000 0.212 375 A C 1.883 179.400 177.584 -0.111 0.000 1.201 375 A CA -0.151 51.825 52.037 -0.102 0.000 0.843 375 A CB -0.185 18.760 19.000 -0.092 0.000 0.873 375 A HN 0.222 nan 8.150 nan 0.000 0.492 376 M N 0.775 120.307 119.600 -0.112 0.000 2.163 376 M HA -0.230 4.250 4.480 -0.000 0.000 0.258 376 M C 2.369 178.554 176.300 -0.191 0.000 1.071 376 M CA 2.792 58.023 55.300 -0.116 0.000 1.093 376 M CB -0.545 31.994 32.600 -0.101 0.000 1.285 376 M HN 0.565 nan 8.290 nan 0.000 0.420 377 T N -1.209 113.158 114.554 -0.311 0.000 2.822 377 T HA -0.100 4.250 4.350 -0.000 0.000 0.270 377 T C 1.672 176.217 174.700 -0.260 0.000 1.064 377 T CA 1.397 63.222 62.100 -0.458 0.000 1.131 377 T CB -0.938 67.579 68.868 -0.584 0.000 0.858 377 T HN 0.552 nan 8.240 nan 0.000 0.483 378 A N 1.084 123.797 122.820 -0.179 0.000 2.016 378 A HA 0.381 4.700 4.320 -0.000 0.000 0.217 378 A C 2.272 179.796 177.584 -0.100 0.000 1.162 378 A CA 0.680 52.641 52.037 -0.126 0.000 0.662 378 A CB -0.511 18.421 19.000 -0.113 0.000 0.812 378 A HN 0.553 nan 8.150 nan 0.000 0.450 379 L N -0.211 120.958 121.223 -0.091 0.000 2.446 379 L HA 0.253 4.593 4.340 -0.000 0.000 0.219 379 L C 0.817 177.704 176.870 0.028 0.000 1.116 379 L CA 0.082 54.888 54.840 -0.056 0.000 0.844 379 L CB -0.285 41.738 42.059 -0.061 0.000 0.970 379 L HN 0.557 nan 8.230 nan 0.000 0.457 380 I N -4.077 116.513 120.570 0.035 0.000 2.910 380 I HA 0.517 4.687 4.170 -0.000 0.000 0.310 380 I C 0.429 176.619 176.117 0.122 0.000 1.043 380 I CA -0.794 60.602 61.300 0.160 0.000 1.053 380 I CB 1.740 39.785 38.000 0.075 0.000 1.242 380 I HN -0.133 nan 8.210 nan 0.000 0.452 381 T N -0.578 114.108 114.554 0.220 0.000 2.813 381 T HA 0.237 4.586 4.350 -0.000 0.000 0.297 381 T C 0.745 175.547 174.700 0.171 0.000 1.036 381 T CA -0.209 61.992 62.100 0.170 0.000 1.044 381 T CB 1.086 70.064 68.868 0.183 0.000 0.993 381 T HN 0.783 nan 8.240 nan 0.000 0.535 382 E N 0.839 121.120 120.200 0.136 0.000 2.077 382 E HA -0.212 4.138 4.350 -0.000 0.000 0.193 382 E C 2.301 178.983 176.600 0.137 0.000 0.989 382 E CA 1.315 57.803 56.400 0.148 0.000 0.800 382 E CB -0.154 29.606 29.700 0.099 0.000 0.746 382 E HN 0.679 nan 8.360 nan 0.000 0.452 383 Q N -0.128 119.743 119.800 0.119 0.000 2.050 383 Q HA -0.189 4.151 4.340 -0.000 0.000 0.202 383 Q C 2.028 178.114 176.000 0.143 0.000 0.980 383 Q CA 1.705 57.565 55.803 0.096 0.000 0.840 383 Q CB -0.503 28.284 28.738 0.083 0.000 0.898 383 Q HN 0.507 nan 8.270 nan 0.000 0.424 384 H N -1.261 117.852 119.070 0.072 0.000 2.293 384 H HA -0.200 4.355 4.556 -0.000 0.000 0.300 384 H C 1.858 177.247 175.328 0.102 0.000 1.082 384 H CA 1.199 57.291 56.048 0.074 0.000 1.308 384 H CB -0.047 29.778 29.762 0.105 0.000 1.375 384 H HN 0.318 nan 8.280 nan 0.000 0.495 385 Y N 1.322 121.602 120.300 -0.033 0.000 2.165 385 Y HA -0.229 4.320 4.550 -0.000 0.000 0.286 385 Y C 2.558 178.418 175.900 -0.067 0.000 1.155 385 Y CA 1.418 59.447 58.100 -0.119 0.000 1.164 385 Y CB -0.990 37.415 38.460 -0.092 0.000 0.978 385 Y HN 0.355 nan 8.280 nan 0.000 0.513 386 A N 0.363 123.089 122.820 -0.156 0.000 1.933 386 A HA -0.195 4.125 4.320 -0.000 0.000 0.218 386 A C 2.373 179.797 177.584 -0.266 0.000 1.175 386 A CA 1.721 53.602 52.037 -0.259 0.000 0.628 386 A CB -0.590 18.330 19.000 -0.133 0.000 0.814 386 A HN 0.527 nan 8.150 nan 0.000 0.444 387 R N -0.792 119.612 120.500 -0.160 0.000 2.115 387 R HA -0.049 4.291 4.340 -0.000 0.000 0.230 387 R C 1.976 178.150 176.300 -0.210 0.000 1.111 387 R CA 1.284 57.243 56.100 -0.236 0.000 0.976 387 R CB -0.426 29.871 30.300 -0.004 0.000 0.870 387 R HN 0.407 nan 8.270 nan 0.000 0.445 388 V N 0.995 120.849 119.914 -0.100 0.000 2.358 388 V HA -0.245 3.875 4.120 -0.000 0.000 0.246 388 V C 2.243 178.260 176.094 -0.128 0.000 1.047 388 V CA 1.727 63.987 62.300 -0.067 0.000 1.035 388 V CB -0.442 31.376 31.823 -0.010 0.000 0.658 388 V HN 0.302 nan 8.190 nan 0.000 0.452 389 R N -0.355 119.969 120.500 -0.294 0.000 2.073 389 R HA -0.117 4.223 4.340 -0.000 0.000 0.234 389 R C 2.371 178.563 176.300 -0.181 0.000 1.134 389 R CA 1.579 57.517 56.100 -0.271 0.000 0.952 389 R CB -0.530 29.532 30.300 -0.396 0.000 0.850 389 R HN 0.398 nan 8.270 nan 0.000 0.433 390 L N 0.166 121.222 121.223 -0.279 0.000 2.017 390 L HA -0.194 4.146 4.340 -0.000 0.000 0.208 390 L C 2.271 179.049 176.870 -0.154 0.000 1.073 390 L CA 1.421 56.074 54.840 -0.311 0.000 0.745 390 L CB -0.262 41.414 42.059 -0.639 0.000 0.894 390 L HN 0.167 nan 8.230 nan 0.000 0.432 391 F N 0.696 120.459 119.950 -0.311 0.000 2.091 391 F HA -0.333 4.194 4.527 0.000 0.000 0.299 391 F C 2.474 178.307 175.800 0.055 0.000 1.103 391 F CA 1.735 59.758 58.000 0.038 0.000 1.228 391 F CB 0.050 39.087 39.000 0.061 0.000 0.984 391 F HN -0.009 nan 8.300 nan 0.000 0.477 392 K N -0.308 120.283 120.400 0.318 0.000 2.155 392 K HA -0.173 4.147 4.320 -0.000 0.000 0.203 392 K C 1.964 178.642 176.600 0.130 0.000 1.052 392 K CA 1.355 57.768 56.287 0.210 0.000 0.948 392 K CB -0.227 32.325 32.500 0.087 0.000 0.728 392 K HN 0.447 nan 8.250 nan 0.000 0.448 393 Q N 0.672 120.513 119.800 0.068 0.000 2.119 393 Q HA -0.058 4.282 4.340 -0.000 0.000 0.201 393 Q C 2.130 178.157 176.000 0.046 0.000 0.972 393 Q CA 0.984 56.805 55.803 0.029 0.000 0.847 393 Q CB -0.012 28.716 28.738 -0.016 0.000 0.903 393 Q HN 0.273 nan 8.270 nan 0.000 0.433 394 L N 0.206 121.472 121.223 0.072 0.000 1.994 394 L HA -0.221 4.118 4.340 -0.000 0.000 0.208 394 L C 2.351 179.270 176.870 0.081 0.000 1.071 394 L CA 1.051 55.930 54.840 0.064 0.000 0.745 394 L CB -0.608 41.486 42.059 0.059 0.000 0.892 394 L HN 0.265 nan 8.230 nan 0.000 0.431 395 L N -0.512 120.800 121.223 0.148 0.000 2.021 395 L HA -0.305 4.035 4.340 -0.000 0.000 0.215 395 L C 2.949 179.863 176.870 0.074 0.000 1.074 395 L CA 1.760 56.693 54.840 0.156 0.000 0.760 395 L CB -0.596 41.636 42.059 0.289 0.000 0.889 395 L HN 0.336 nan 8.230 nan 0.000 0.433 396 S N -1.062 114.676 115.700 0.064 0.000 2.353 396 S HA -0.261 4.209 4.470 -0.000 0.000 0.222 396 S C 2.301 176.884 174.600 -0.028 0.000 1.035 396 S CA 1.944 60.152 58.200 0.012 0.000 1.025 396 S CB -0.296 62.913 63.200 0.014 0.000 0.902 396 S HN 0.445 nan 8.310 nan 0.000 0.440 397 S N -0.142 115.548 115.700 -0.017 0.000 2.359 397 S HA -0.149 4.321 4.470 -0.000 0.000 0.224 397 S C 1.640 176.189 174.600 -0.084 0.000 1.035 397 S CA 1.691 59.860 58.200 -0.052 0.000 1.018 397 S CB -0.892 62.285 63.200 -0.038 0.000 0.876 397 S HN 0.639 nan 8.310 nan 0.000 0.448 398 F N 1.988 121.806 119.950 -0.220 0.000 2.126 398 F HA -0.095 4.432 4.527 -0.000 0.000 0.299 398 F C 2.410 178.017 175.800 -0.321 0.000 1.096 398 F CA 2.129 59.933 58.000 -0.327 0.000 1.255 398 F CB -0.892 37.803 39.000 -0.508 0.000 0.997 398 F HN 0.238 nan 8.300 nan 0.000 0.479 399 Q N 0.339 119.940 119.800 -0.332 0.000 2.061 399 Q HA -0.160 4.180 4.340 -0.000 0.000 0.204 399 Q C 2.249 178.060 176.000 -0.315 0.000 0.984 399 Q CA 2.013 57.605 55.803 -0.352 0.000 0.846 399 Q CB -0.268 28.370 28.738 -0.166 0.000 0.902 399 Q HN 0.362 nan 8.270 nan 0.000 0.421 400 R N -0.179 120.187 120.500 -0.222 0.000 2.316 400 R HA 0.047 4.387 4.340 -0.000 0.000 0.202 400 R C 0.586 176.761 176.300 -0.208 0.000 1.029 400 R CA 0.784 56.778 56.100 -0.177 0.000 1.018 400 R CB 0.158 30.387 30.300 -0.119 0.000 0.888 400 R HN 0.249 nan 8.270 nan 0.000 0.471 401 N N 0.077 118.598 118.700 -0.299 0.000 2.145 401 N HA 0.000 4.740 4.740 -0.000 0.000 0.219 401 N C 1.039 176.323 175.510 -0.377 0.000 1.266 401 N CA 0.073 52.948 53.050 -0.292 0.000 0.902 401 N CB 0.527 38.839 38.487 -0.292 0.000 1.078 401 N HN 0.230 nan 8.380 nan 0.000 0.513 402 R N 0.942 121.069 120.500 -0.622 0.000 2.127 402 R HA -0.054 4.286 4.340 -0.000 0.000 0.238 402 R C 1.102 177.197 176.300 -0.343 0.000 1.134 402 R CA 1.607 57.266 56.100 -0.736 0.000 0.975 402 R CB -0.380 29.226 30.300 -1.157 0.000 0.865 402 R HN -0.102 nan 8.270 nan 0.000 0.447 403 D N 0.627 120.871 120.400 -0.260 0.000 2.097 403 D HA -0.063 4.577 4.640 -0.000 0.000 0.195 403 D C 1.905 178.149 176.300 -0.094 0.000 0.989 403 D CA 1.235 55.147 54.000 -0.146 0.000 0.827 403 D CB -0.000 40.727 40.800 -0.121 0.000 0.966 403 D HN 0.208 nan 8.370 nan 0.000 0.456 404 L N -0.434 120.732 121.223 -0.094 0.000 2.056 404 L HA -0.113 4.227 4.340 -0.000 0.000 0.207 404 L C 2.424 179.295 176.870 0.002 0.000 1.078 404 L CA 0.430 55.249 54.840 -0.036 0.000 0.749 404 L CB -0.284 41.760 42.059 -0.025 0.000 0.901 404 L HN 0.005 nan 8.230 nan 0.000 0.433 405 V N -0.028 119.872 119.914 -0.023 0.000 2.295 405 V HA -0.295 3.825 4.120 -0.000 0.000 0.246 405 V C 2.667 178.791 176.094 0.050 0.000 1.049 405 V CA 2.085 64.415 62.300 0.051 0.000 1.024 405 V CB -0.837 31.001 31.823 0.024 0.000 0.648 405 V HN 0.646 nan 8.190 nan 0.000 0.447 406 S N -0.727 114.976 115.700 0.005 0.000 2.440 406 S HA -0.130 4.340 4.470 -0.000 0.000 0.238 406 S C 1.683 176.299 174.600 0.028 0.000 1.010 406 S CA 1.534 59.750 58.200 0.026 0.000 0.972 406 S CB -0.310 62.891 63.200 0.002 0.000 0.774 406 S HN 0.334 nan 8.310 nan 0.000 0.501 407 V N 0.846 120.772 119.914 0.020 0.000 3.621 407 V HA 0.418 4.538 4.120 -0.000 0.000 0.285 407 V C 1.620 177.731 176.094 0.028 0.000 1.346 407 V CA 0.637 62.949 62.300 0.020 0.000 1.104 407 V CB -0.409 31.419 31.823 0.008 0.000 0.913 407 V HN 0.768 nan 8.190 nan 0.000 0.432 408 G N 0.094 108.921 108.800 0.045 0.000 2.143 408 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.249 408 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.249 408 G C 0.976 175.900 174.900 0.040 0.000 0.981 408 G CA 0.612 45.739 45.100 0.044 0.000 0.665 408 G HN 0.795 nan 8.290 nan 0.000 0.528 409 A N -0.704 122.148 122.820 0.054 0.000 1.929 409 A HA 0.340 4.660 4.320 -0.000 0.000 0.216 409 A C 1.217 178.853 177.584 0.087 0.000 1.176 409 A CA 1.474 53.542 52.037 0.053 0.000 0.628 409 A CB -0.243 18.785 19.000 0.046 0.000 0.816 409 A HN 1.488 nan 8.150 nan 0.000 0.444 410 Y N 1.020 121.314 120.300 -0.009 0.000 2.712 410 Y HA 0.290 4.840 4.550 0.000 0.000 0.333 410 Y C 0.414 176.315 175.900 0.002 0.000 1.225 410 Y CA -0.941 57.156 58.100 -0.005 0.000 1.499 410 Y CB 0.242 38.701 38.460 -0.003 0.000 1.288 410 Y HN 0.251 nan 8.280 nan 0.000 0.575 411 A N 8.179 130.599 122.820 -0.667 0.000 2.582 411 A HA 0.282 4.602 4.320 -0.000 0.000 0.336 411 A C -0.226 176.707 177.584 -1.084 0.000 1.445 411 A CA -1.038 50.624 52.037 -0.625 0.000 0.997 411 A CB -0.411 18.430 19.000 -0.266 0.000 1.148 411 A HN 0.611 nan 8.150 nan 0.000 0.514 412 K N 2.095 121.903 120.400 -0.987 0.000 1.916 412 K HA 0.103 4.423 4.320 -0.000 0.000 0.229 412 K C 0.622 177.084 176.600 -0.229 0.000 1.141 412 K CA 0.889 56.817 56.287 -0.598 0.000 1.235 412 K CB -0.925 31.455 32.500 -0.199 0.000 1.022 412 K HN 1.102 nan 8.250 nan 0.000 0.309 413 G N 1.006 109.732 108.800 -0.124 0.000 3.897 413 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.207 413 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.207 413 G C 0.969 175.892 174.900 0.039 0.000 0.872 413 G CA 0.137 45.228 45.100 -0.015 0.000 0.872 413 G HN 0.518 nan 8.290 nan 0.000 0.442 414 S N -0.284 115.448 115.700 0.054 0.000 2.395 414 S HA 0.117 4.587 4.470 -0.000 0.000 0.225 414 S C 0.669 175.349 174.600 0.134 0.000 1.027 414 S CA 1.297 59.550 58.200 0.089 0.000 0.965 414 S CB 0.214 63.464 63.200 0.083 0.000 0.812 414 S HN 0.269 nan 8.310 nan 0.000 0.482 415 D N 2.204 122.746 120.400 0.238 0.000 2.477 415 D HA 0.352 4.992 4.640 -0.000 0.000 0.239 415 D C -2.241 174.132 176.300 0.122 0.000 1.102 415 D CA -2.211 51.874 54.000 0.142 0.000 0.901 415 D CB 1.659 42.504 40.800 0.075 0.000 1.026 415 D HN -0.008 nan 8.370 nan 0.000 0.515 416 P HA -0.156 nan 4.420 nan 0.000 0.216 416 P C 1.468 178.795 177.300 0.045 0.000 1.150 416 P CA 0.847 63.987 63.100 0.067 0.000 0.843 416 P CB 0.245 31.971 31.700 0.044 0.000 0.787 417 M N -1.216 118.396 119.600 0.021 0.000 2.117 417 M HA -0.094 4.386 4.480 -0.000 0.000 0.262 417 M C 1.938 178.234 176.300 -0.007 0.000 1.065 417 M CA 1.621 56.925 55.300 0.006 0.000 1.114 417 M CB -1.313 31.282 32.600 -0.008 0.000 1.361 417 M HN -0.142 nan 8.290 nan 0.000 0.408 418 L N -0.848 120.345 121.223 -0.050 0.000 2.093 418 L HA -0.226 4.114 4.340 -0.000 0.000 0.208 418 L C 1.593 178.437 176.870 -0.044 0.000 1.085 418 L CA 1.501 56.267 54.840 -0.123 0.000 0.755 418 L CB -0.620 41.214 42.059 -0.376 0.000 0.904 418 L HN 0.271 nan 8.230 nan 0.000 0.435 419 D N 0.207 120.637 120.400 0.049 0.000 2.117 419 D HA -0.198 4.442 4.640 -0.000 0.000 0.197 419 D C 2.097 178.442 176.300 0.076 0.000 0.987 419 D CA 1.242 55.325 54.000 0.137 0.000 0.829 419 D CB 0.062 40.961 40.800 0.167 0.000 0.961 419 D HN 0.389 nan 8.370 nan 0.000 0.460 420 K N 0.865 121.295 120.400 0.050 0.000 2.057 420 K HA -0.062 4.258 4.320 -0.000 0.000 0.207 420 K C 2.221 178.829 176.600 0.015 0.000 1.049 420 K CA 1.056 57.364 56.287 0.034 0.000 0.931 420 K CB -0.066 32.462 32.500 0.047 0.000 0.714 420 K HN -0.002 nan 8.250 nan 0.000 0.440 421 A N 2.410 125.240 122.820 0.016 0.000 1.851 421 A HA -0.185 4.135 4.320 -0.000 0.000 0.216 421 A C 2.262 179.822 177.584 -0.040 0.000 1.195 421 A CA 1.860 53.893 52.037 -0.007 0.000 0.622 421 A CB -0.937 18.078 19.000 0.024 0.000 0.831 421 A HN 0.440 nan 8.150 nan 0.000 0.444 422 I N -1.753 118.829 120.570 0.020 0.000 2.335 422 I HA -0.190 3.980 4.170 -0.000 0.000 0.251 422 I C 2.330 178.471 176.117 0.040 0.000 1.129 422 I CA 2.208 63.537 61.300 0.047 0.000 1.402 422 I CB -1.146 36.947 38.000 0.155 0.000 1.069 422 I HN 0.403 nan 8.210 nan 0.000 0.424 423 T N -0.411 114.158 114.554 0.025 0.000 3.043 423 T HA 0.148 4.498 4.350 -0.000 0.000 0.263 423 T C 1.754 176.426 174.700 -0.048 0.000 1.094 423 T CA 0.504 62.605 62.100 0.001 0.000 1.127 423 T CB -0.181 68.688 68.868 0.002 0.000 0.905 423 T HN 0.445 nan 8.240 nan 0.000 0.490 424 L N -1.040 120.142 121.223 -0.069 0.000 2.354 424 L HA 0.289 4.629 4.340 -0.000 0.000 0.212 424 L C 2.398 179.190 176.870 -0.131 0.000 1.091 424 L CA 0.060 54.811 54.840 -0.148 0.000 0.828 424 L CB -0.457 41.473 42.059 -0.216 0.000 0.973 424 L HN 0.434 nan 8.230 nan 0.000 0.461 425 W N 3.911 125.004 121.300 -0.345 0.000 2.280 425 W HA -0.269 4.391 4.660 -0.000 0.000 0.332 425 W C -0.686 175.668 176.519 -0.275 0.000 1.300 425 W CA 1.979 59.062 57.345 -0.438 0.000 1.274 425 W CB -1.300 27.688 29.460 -0.786 0.000 1.141 425 W HN 0.086 nan 8.180 nan 0.000 0.474 426 P HA -0.241 nan 4.420 nan 0.000 0.217 426 P C 1.514 178.595 177.300 -0.364 0.000 1.148 426 P CA 1.891 64.725 63.100 -0.444 0.000 0.828 426 P CB -0.389 31.181 31.700 -0.217 0.000 0.783 427 Q N -0.461 119.171 119.800 -0.279 0.000 2.062 427 Q HA -0.001 4.339 4.340 -0.000 0.000 0.196 427 Q C 2.554 178.432 176.000 -0.204 0.000 0.967 427 Q CA 1.012 56.681 55.803 -0.224 0.000 0.832 427 Q CB -0.540 28.052 28.738 -0.242 0.000 0.899 427 Q HN 0.343 nan 8.270 nan 0.000 0.442 428 L N 0.522 121.578 121.223 -0.278 0.000 2.046 428 L HA -0.184 4.156 4.340 -0.000 0.000 0.208 428 L C 2.496 179.379 176.870 0.022 0.000 1.077 428 L CA 1.295 56.020 54.840 -0.193 0.000 0.747 428 L CB -0.513 41.385 42.059 -0.267 0.000 0.896 428 L HN 0.301 nan 8.230 nan 0.000 0.432 429 E N 0.631 120.569 120.200 -0.437 0.000 2.077 429 E HA -0.242 4.108 4.350 -0.000 0.000 0.193 429 E C 2.193 178.691 176.600 -0.170 0.000 0.989 429 E CA 1.247 57.371 56.400 -0.460 0.000 0.800 429 E CB 0.020 29.061 29.700 -1.098 0.000 0.746 429 E HN 0.455 nan 8.360 nan 0.000 0.452 430 A N 0.252 122.970 122.820 -0.171 0.000 2.014 430 A HA -0.114 4.206 4.320 -0.000 0.000 0.218 430 A C 1.901 179.475 177.584 -0.017 0.000 1.163 430 A CA 0.853 52.828 52.037 -0.103 0.000 0.652 430 A CB -0.696 18.242 19.000 -0.104 0.000 0.808 430 A HN 0.503 nan 8.150 nan 0.000 0.449 431 F N 0.515 120.444 119.950 -0.036 0.000 2.113 431 F HA -0.091 4.436 4.527 0.000 0.000 0.297 431 F C 1.876 177.714 175.800 0.063 0.000 1.103 431 F CA 1.612 59.644 58.000 0.052 0.000 1.248 431 F CB -0.188 38.930 39.000 0.196 0.000 0.999 431 F HN 0.136 nan 8.300 nan 0.000 0.475 432 L N -0.039 121.334 121.223 0.250 0.000 1.994 432 L HA -0.169 4.171 4.340 -0.000 0.000 0.208 432 L C 1.110 177.917 176.870 -0.104 0.000 1.071 432 L CA 0.925 55.852 54.840 0.145 0.000 0.745 432 L CB -0.828 41.467 42.059 0.392 0.000 0.892 432 L HN 0.120 nan 8.230 nan 0.000 0.431 433 Q N 0.685 120.351 119.800 -0.225 0.000 2.395 433 Q HA 0.107 4.447 4.340 -0.000 0.000 0.271 433 Q C -0.280 175.613 176.000 -0.178 0.000 1.026 433 Q CA 0.595 56.228 55.803 -0.284 0.000 0.900 433 Q CB 0.744 29.300 28.738 -0.303 0.000 1.266 433 Q HN 0.195 nan 8.270 nan 0.000 0.430 434 Q N 0.472 120.195 119.800 -0.129 0.000 2.281 434 Q HA 0.356 4.696 4.340 -0.000 0.000 0.263 434 Q C -0.807 175.154 176.000 -0.065 0.000 0.989 434 Q CA -0.461 55.276 55.803 -0.110 0.000 0.852 434 Q CB 1.599 30.262 28.738 -0.125 0.000 1.337 434 Q HN 0.854 nan 8.270 nan 0.000 0.418 435 G N 2.613 111.382 108.800 -0.051 0.000 2.690 435 G HA2 0.074 4.034 3.960 -0.000 0.000 0.239 435 G HA3 0.074 4.034 3.960 -0.000 0.000 0.239 435 G C 0.802 175.685 174.900 -0.028 0.000 1.233 435 G CA -0.222 44.870 45.100 -0.013 0.000 0.847 435 G HN 0.782 nan 8.290 nan 0.000 0.588 436 I N -0.480 120.065 120.570 -0.042 0.000 2.353 436 I HA -0.035 4.135 4.170 -0.000 0.000 0.248 436 I C 0.970 176.844 176.117 -0.405 0.000 1.119 436 I CA 0.930 62.080 61.300 -0.249 0.000 1.417 436 I CB -0.075 37.723 38.000 -0.336 0.000 1.078 436 I HN 0.302 nan 8.210 nan 0.000 0.421 437 F N 0.828 120.826 119.950 0.080 0.000 2.837 437 F HA 0.266 4.793 4.527 -0.000 0.000 0.298 437 F C 0.690 176.517 175.800 0.045 0.000 1.161 437 F CA -0.349 57.739 58.000 0.147 0.000 1.353 437 F CB 0.007 39.049 39.000 0.071 0.000 0.951 437 F HN -0.032 nan 8.300 nan 0.000 0.508 438 E N 1.722 121.942 120.200 0.034 0.000 2.141 438 E HA 0.262 4.612 4.350 -0.000 0.000 0.259 438 E C -0.305 176.075 176.600 -0.367 0.000 0.883 438 E CA -0.714 55.612 56.400 -0.124 0.000 0.744 438 E CB 0.849 30.500 29.700 -0.082 0.000 1.150 438 E HN 0.217 nan 8.360 nan 0.000 0.420 439 R N 3.189 123.315 120.500 -0.623 0.000 2.340 439 R HA 0.456 4.796 4.340 -0.000 0.000 0.300 439 R C -1.160 174.914 176.300 -0.376 0.000 1.069 439 R CA 0.030 55.615 56.100 -0.859 0.000 0.984 439 R CB 1.036 30.779 30.300 -0.928 0.000 1.003 439 R HN 0.483 nan 8.270 nan 0.000 0.459 440 A N 5.108 127.771 122.820 -0.261 0.000 2.709 440 A HA 0.200 4.520 4.320 -0.000 0.000 0.332 440 A C -0.894 176.651 177.584 -0.066 0.000 1.241 440 A CA -0.985 50.962 52.037 -0.151 0.000 0.782 440 A CB 0.247 19.152 19.000 -0.159 0.000 1.109 440 A HN 0.901 nan 8.150 nan 0.000 0.472 441 D N 0.328 120.706 120.400 -0.037 0.000 2.369 441 D HA -0.129 4.511 4.640 -0.000 0.000 0.241 441 D C 1.254 177.628 176.300 0.124 0.000 1.271 441 D CA -0.664 53.371 54.000 0.060 0.000 0.942 441 D CB 0.332 41.168 40.800 0.060 0.000 1.129 441 D HN 0.589 nan 8.370 nan 0.000 0.476 442 W N 0.418 121.720 121.300 0.004 0.000 2.318 442 W HA -0.271 4.388 4.660 -0.000 0.000 0.313 442 W C 1.728 178.252 176.519 0.009 0.000 1.221 442 W CA 2.062 59.419 57.345 0.020 0.000 1.266 442 W CB -0.043 29.437 29.460 0.034 0.000 1.150 442 W HN 0.717 nan 8.180 nan 0.000 0.496 443 E N 0.374 120.626 120.200 0.086 0.000 2.023 443 E HA -0.274 4.076 4.350 -0.000 0.000 0.196 443 E C 1.819 178.361 176.600 -0.096 0.000 1.003 443 E CA 2.130 58.511 56.400 -0.031 0.000 0.809 443 E CB -0.407 29.322 29.700 0.047 0.000 0.755 443 E HN 0.078 nan 8.360 nan 0.000 0.449 444 D N 0.025 120.391 120.400 -0.057 0.000 2.104 444 D HA -0.139 4.501 4.640 -0.000 0.000 0.194 444 D C 2.199 178.450 176.300 -0.082 0.000 0.994 444 D CA 1.349 55.310 54.000 -0.066 0.000 0.830 444 D CB -0.385 40.374 40.800 -0.068 0.000 0.959 444 D HN 0.107 nan 8.370 nan 0.000 0.452 445 S N 0.617 116.250 115.700 -0.111 0.000 2.359 445 S HA -0.117 4.353 4.470 -0.000 0.000 0.224 445 S C 2.257 176.810 174.600 -0.078 0.000 1.035 445 S CA 0.676 58.816 58.200 -0.099 0.000 1.018 445 S CB -0.304 62.823 63.200 -0.122 0.000 0.876 445 S HN 0.265 nan 8.310 nan 0.000 0.448 446 L N 1.143 122.188 121.223 -0.297 0.000 2.093 446 L HA -0.141 4.199 4.340 -0.000 0.000 0.208 446 L C 2.764 179.538 176.870 -0.159 0.000 1.085 446 L CA 1.073 55.700 54.840 -0.355 0.000 0.755 446 L CB -0.618 41.095 42.059 -0.576 0.000 0.904 446 L HN 0.365 nan 8.230 nan 0.000 0.435 447 Q N 0.067 119.804 119.800 -0.105 0.000 2.002 447 Q HA -0.240 4.100 4.340 -0.000 0.000 0.204 447 Q C 2.491 178.490 176.000 -0.001 0.000 0.988 447 Q CA 1.901 57.675 55.803 -0.049 0.000 0.843 447 Q CB -0.361 28.354 28.738 -0.037 0.000 0.908 447 Q HN 0.557 nan 8.270 nan 0.000 0.420 448 A N 0.775 123.630 122.820 0.058 0.000 1.917 448 A HA -0.215 4.105 4.320 -0.000 0.000 0.219 448 A C 2.045 179.719 177.584 0.151 0.000 1.182 448 A CA 1.531 53.663 52.037 0.158 0.000 0.633 448 A CB -0.667 18.509 19.000 0.294 0.000 0.819 448 A HN 0.366 nan 8.150 nan 0.000 0.448 449 L N -0.065 121.242 121.223 0.140 0.000 2.072 449 L HA -0.045 4.295 4.340 -0.000 0.000 0.205 449 L C 1.624 178.506 176.870 0.021 0.000 1.079 449 L CA 2.492 57.321 54.840 -0.020 0.000 0.752 449 L CB -0.589 41.457 42.059 -0.022 0.000 0.906 449 L HN 0.386 nan 8.230 nan 0.000 0.436 450 D N -1.410 118.989 120.400 -0.002 0.000 2.390 450 D HA -0.094 4.546 4.640 -0.000 0.000 0.235 450 D C 1.681 177.979 176.300 -0.004 0.000 1.040 450 D CA 0.731 54.732 54.000 0.003 0.000 0.923 450 D CB 0.040 40.821 40.800 -0.031 0.000 0.886 450 D HN 0.439 nan 8.370 nan 0.000 0.532 451 L N -0.890 120.317 121.223 -0.027 0.000 2.749 451 L HA 0.239 4.579 4.340 -0.000 0.000 0.242 451 L C 1.852 178.644 176.870 -0.129 0.000 1.103 451 L CA 0.000 54.808 54.840 -0.055 0.000 0.906 451 L CB 0.326 42.360 42.059 -0.041 0.000 1.228 451 L HN 0.052 nan 8.230 nan 0.000 0.517 452 I N -0.761 119.679 120.570 -0.217 0.000 2.400 452 I HA -0.115 4.055 4.170 -0.000 0.000 0.248 452 I C 1.590 177.324 176.117 -0.638 0.000 1.109 452 I CA 1.650 62.634 61.300 -0.526 0.000 1.425 452 I CB 0.151 37.652 38.000 -0.832 0.000 1.094 452 I HN 0.107 nan 8.210 nan 0.000 0.425 453 F N -0.252 119.646 119.950 -0.087 0.000 2.129 453 F HA 0.293 4.820 4.527 -0.000 0.000 0.234 453 F C -1.490 174.283 175.800 -0.046 0.000 1.092 453 F CA -0.523 57.436 58.000 -0.068 0.000 1.242 453 F CB -1.725 37.236 39.000 -0.064 0.000 1.604 453 F HN -0.212 nan 8.300 nan 0.000 0.527 454 P HA -0.140 nan 4.420 nan 0.000 0.271 454 P C -0.089 177.245 177.300 0.056 0.000 1.164 454 P CA 0.710 63.870 63.100 0.099 0.000 0.758 454 P CB 0.703 32.449 31.700 0.076 0.000 0.769 455 T N 0.786 115.364 114.554 0.039 0.000 2.865 455 T HA 0.267 4.617 4.350 -0.000 0.000 0.302 455 T C 0.742 175.454 174.700 0.019 0.000 1.078 455 T CA -0.673 61.442 62.100 0.025 0.000 0.942 455 T CB 0.391 69.271 68.868 0.021 0.000 1.387 455 T HN 0.190 nan 8.240 nan 0.000 0.557 456 V N 0.000 119.922 119.914 0.014 0.000 2.409 456 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 456 V CA 0.000 62.307 62.300 0.012 0.000 1.235 456 V CB 0.000 31.829 31.823 0.010 0.000 1.184 456 V HN 0.000 nan 8.190 nan 0.000 0.556