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 1s6p_1_A DATA FIRST_RESID 1 DATA SEQUENCE PISPIETVPV KLKPGMDGPK VKQWPLTEEK IKALVEICTE MEKEGKISKI DATA SEQUENCE GPENPYNTPV FAIKKKDSTK WRKLVDFREL NKRTQDFWEV QLGIPHPAGL DATA SEQUENCE KKKKSVTVLD VGDAYFSVPL DEDFRKYTAF TIPSINNETP GIRYQYNVLP DATA SEQUENCE QGWKGSPAIF QSSMTKILEP FKKQNPDIVI YQYMDDLYVG SDLEIGQHRT DATA SEQUENCE KIEELRQHLL RWGLTTPDKK HQKEPPFLWM GYELHPDKWT VQPIVLPEKD DATA SEQUENCE SWTVNDIQKL VGKLNWASQI YPGIKVRQLS KLLRGTKALT EVIPLTEEAE DATA SEQUENCE LELAENREIL KEPVHGVYYD PSKDLIAEIQ KQGQGQWTYQ IYQEPFKNLK DATA SEQUENCE TGKYARMRGA HTNDVKQLTE AVQKITTESI VIWGKTPKFK LPIQKETWET DATA SEQUENCE WWTEYWQATW IPEWEFVNTP PLVKLWYQLE KEPIVGAETF YVDGAANRET DATA SEQUENCE KLGKAGYVTN KGRQKVVPLT NTTNQKTELQ AIYLALQDSG LEVNIVTDSQ DATA SEQUENCE YALGIIQAQP DKSESELVNQ IIEQLIKKEK VYLAWVPAHK GIGGNEQVDK DATA SEQUENCE LV 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 1 P HA 0.000 nan 4.420 nan 0.000 0.216 1 P C 0.000 177.339 177.300 0.065 0.000 1.155 1 P CA 0.000 63.121 63.100 0.035 0.000 0.800 1 P CB 0.000 31.713 31.700 0.022 0.000 0.726 2 I N -0.029 120.585 120.570 0.074 0.000 3.584 2 I HA 0.177 4.347 4.170 -0.000 0.000 0.260 2 I C 1.080 177.254 176.117 0.097 0.000 1.324 2 I CA 0.637 61.995 61.300 0.098 0.000 1.251 2 I CB -0.175 37.881 38.000 0.092 0.000 1.388 2 I HN 0.280 nan 8.210 nan 0.000 0.665 3 S N 0.888 116.658 115.700 0.117 0.000 2.677 3 S HA 0.497 4.967 4.470 -0.000 0.000 0.304 3 S C -1.724 172.946 174.600 0.117 0.000 1.108 3 S CA -1.263 57.016 58.200 0.132 0.000 0.944 3 S CB 1.678 64.991 63.200 0.187 0.000 1.127 3 S HN 0.509 nan 8.310 nan 0.000 0.511 4 P HA 0.244 nan 4.420 nan 0.000 0.234 4 P C 0.244 177.639 177.300 0.158 0.000 1.175 4 P CA 0.130 63.286 63.100 0.094 0.000 0.801 4 P CB -0.110 31.602 31.700 0.020 0.000 0.891 5 I N 1.549 122.264 120.570 0.241 0.000 3.281 5 I HA -0.221 3.949 4.170 -0.000 0.000 0.346 5 I C 1.094 177.308 176.117 0.161 0.000 1.154 5 I CA 0.801 62.247 61.300 0.243 0.000 1.507 5 I CB -0.102 38.022 38.000 0.205 0.000 1.263 5 I HN 0.130 nan 8.210 nan 0.000 0.515 6 E N 4.551 124.834 120.200 0.138 0.000 2.360 6 E HA 0.095 4.445 4.350 -0.000 0.000 0.269 6 E C -0.193 176.463 176.600 0.094 0.000 1.022 6 E CA -0.551 55.911 56.400 0.104 0.000 0.887 6 E CB 0.786 30.537 29.700 0.084 0.000 0.990 6 E HN 0.595 nan 8.360 nan 0.000 0.426 7 T N 0.896 115.506 114.554 0.093 0.000 2.728 7 T HA 0.265 4.615 4.350 -0.000 0.000 0.296 7 T C 0.006 174.760 174.700 0.090 0.000 0.940 7 T CA -0.979 61.182 62.100 0.101 0.000 1.013 7 T CB 0.854 69.788 68.868 0.111 0.000 0.912 7 T HN 0.176 nan 8.240 nan 0.000 0.484 8 V N 7.793 127.763 119.914 0.093 0.000 2.493 8 V HA 0.195 4.315 4.120 -0.000 0.000 0.292 8 V C -1.374 174.773 176.094 0.088 0.000 1.016 8 V CA -1.274 61.074 62.300 0.080 0.000 1.097 8 V CB -0.270 31.609 31.823 0.093 0.000 0.947 8 V HN 0.839 nan 8.190 nan 0.000 0.479 9 P HA 0.210 nan 4.420 nan 0.000 0.271 9 P C -0.722 176.581 177.300 0.005 0.000 1.226 9 P CA 0.138 63.263 63.100 0.041 0.000 0.765 9 P CB 1.325 33.038 31.700 0.021 0.000 0.835 10 V N 4.677 124.585 119.914 -0.011 0.000 2.815 10 V HA 0.497 4.617 4.120 -0.000 0.000 0.314 10 V C 0.352 176.351 176.094 -0.158 0.000 1.064 10 V CA -0.595 61.634 62.300 -0.120 0.000 0.952 10 V CB 2.172 33.896 31.823 -0.165 0.000 1.020 10 V HN 0.514 nan 8.190 nan 0.000 0.439 11 K N 2.148 122.450 120.400 -0.163 0.000 2.469 11 K HA 0.690 5.009 4.320 -0.000 0.000 0.254 11 K C -1.736 174.853 176.600 -0.019 0.000 0.939 11 K CA -0.807 55.449 56.287 -0.052 0.000 0.812 11 K CB 2.261 34.735 32.500 -0.044 0.000 1.301 11 K HN 0.339 nan 8.250 nan 0.000 0.433 12 L N 2.166 123.427 121.223 0.064 0.000 2.399 12 L HA 0.322 4.662 4.340 -0.000 0.000 0.266 12 L C 0.298 177.199 176.870 0.051 0.000 1.114 12 L CA -0.357 54.542 54.840 0.098 0.000 0.804 12 L CB 0.351 42.441 42.059 0.051 0.000 1.146 12 L HN 0.357 nan 8.230 nan 0.000 0.451 13 K N 1.969 122.402 120.400 0.056 0.000 2.561 13 K HA -0.011 4.309 4.320 -0.000 0.000 0.280 13 K C -2.188 174.435 176.600 0.037 0.000 0.975 13 K CA -1.184 55.124 56.287 0.034 0.000 1.024 13 K CB -0.410 32.114 32.500 0.041 0.000 0.883 13 K HN 0.342 nan 8.250 nan 0.000 0.496 14 P HA -0.263 nan 4.420 nan 0.000 0.261 14 P C 0.912 178.238 177.300 0.043 0.000 1.140 14 P CA 1.722 64.839 63.100 0.028 0.000 0.757 14 P CB 0.152 31.863 31.700 0.018 0.000 0.735 15 G N 3.417 112.248 108.800 0.052 0.000 3.718 15 G HA2 -0.395 3.565 3.960 -0.000 0.000 0.224 15 G HA3 -0.395 3.565 3.960 -0.000 0.000 0.224 15 G C 0.441 175.391 174.900 0.083 0.000 1.328 15 G CA 0.447 45.585 45.100 0.064 0.000 0.974 15 G HN 0.557 nan 8.290 nan 0.000 0.579 16 M N 1.860 121.507 119.600 0.078 0.000 2.226 16 M HA 0.172 4.652 4.480 -0.000 0.000 0.377 16 M C 0.522 176.898 176.300 0.126 0.000 1.309 16 M CA 0.996 56.353 55.300 0.095 0.000 0.874 16 M CB 0.107 32.757 32.600 0.083 0.000 1.902 16 M HN 0.575 nan 8.290 nan 0.000 0.485 17 D N 2.130 122.630 120.400 0.167 0.000 2.569 17 D HA 0.557 5.197 4.640 -0.000 0.000 0.266 17 D C 0.124 176.570 176.300 0.243 0.000 1.164 17 D CA -0.191 53.966 54.000 0.261 0.000 1.071 17 D CB 1.001 41.986 40.800 0.309 0.000 1.183 17 D HN 0.595 nan 8.370 nan 0.000 0.613 18 G N -0.008 108.917 108.800 0.207 0.000 2.554 18 G HA2 0.351 4.311 3.960 -0.000 0.000 0.238 18 G HA3 0.351 4.311 3.960 -0.000 0.000 0.238 18 G C -2.345 172.611 174.900 0.093 0.000 1.259 18 G CA -0.757 44.203 45.100 -0.233 0.000 0.843 18 G HN 0.376 nan 8.290 nan 0.000 0.582 19 P HA 0.258 nan 4.420 nan 0.000 0.272 19 P C -0.442 176.985 177.300 0.211 0.000 1.223 19 P CA -0.067 63.114 63.100 0.134 0.000 0.784 19 P CB 0.724 32.479 31.700 0.091 0.000 0.923 20 K N 1.120 121.618 120.400 0.163 0.000 3.146 20 K HA 0.301 4.621 4.320 -0.000 0.000 0.168 20 K C -1.032 175.615 176.600 0.079 0.000 1.075 20 K CA -0.288 56.078 56.287 0.132 0.000 0.843 20 K CB 0.725 33.291 32.500 0.110 0.000 1.002 20 K HN 0.154 nan 8.250 nan 0.000 0.597 21 V N 1.779 121.729 119.914 0.060 0.000 2.837 21 V HA 0.338 4.458 4.120 -0.000 0.000 0.310 21 V C 0.151 176.248 176.094 0.006 0.000 1.059 21 V CA -0.680 61.638 62.300 0.030 0.000 1.004 21 V CB 1.483 33.309 31.823 0.005 0.000 1.045 21 V HN 0.436 nan 8.190 nan 0.000 0.465 22 K N 2.611 123.006 120.400 -0.008 0.000 2.221 22 K HA 0.658 4.978 4.320 -0.000 0.000 0.243 22 K C -0.850 175.674 176.600 -0.127 0.000 0.968 22 K CA -0.917 55.355 56.287 -0.025 0.000 0.846 22 K CB 1.645 34.165 32.500 0.034 0.000 1.141 22 K HN 0.549 nan 8.250 nan 0.000 0.434 23 Q N 1.676 121.411 119.800 -0.108 0.000 2.235 23 Q HA 0.146 4.486 4.340 -0.000 0.000 0.250 23 Q C -1.024 174.941 176.000 -0.059 0.000 0.909 23 Q CA -0.378 55.316 55.803 -0.181 0.000 0.910 23 Q CB 0.619 29.286 28.738 -0.118 0.000 1.223 23 Q HN 0.675 nan 8.270 nan 0.000 0.432 24 W N 2.885 124.148 121.300 -0.062 0.000 2.072 24 W HA 0.292 4.952 4.660 -0.000 0.000 0.413 24 W C -2.058 174.397 176.519 -0.108 0.000 0.865 24 W CA -2.741 54.563 57.345 -0.069 0.000 1.579 24 W CB -0.730 28.691 29.460 -0.064 0.000 1.720 24 W HN 0.505 nan 8.180 nan 0.000 0.301 25 P HA -0.223 nan 4.420 nan 0.000 0.158 25 P C 0.314 177.608 177.300 -0.010 0.000 0.792 25 P CA 1.160 64.262 63.100 0.002 0.000 1.125 25 P CB -0.326 31.375 31.700 0.002 0.000 1.321 26 L N 0.930 122.119 121.223 -0.057 0.000 2.600 26 L HA 0.266 4.606 4.340 -0.000 0.000 0.221 26 L C 1.173 177.991 176.870 -0.087 0.000 1.197 26 L CA -0.791 54.002 54.840 -0.079 0.000 0.838 26 L CB -0.376 41.584 42.059 -0.164 0.000 1.474 26 L HN 0.147 nan 8.230 nan 0.000 0.514 27 T N -2.395 112.106 114.554 -0.088 0.000 2.576 27 T HA -0.070 4.280 4.350 -0.000 0.000 0.251 27 T C 0.664 175.296 174.700 -0.114 0.000 1.050 27 T CA -0.148 61.901 62.100 -0.085 0.000 1.286 27 T CB -0.202 68.619 68.868 -0.078 0.000 1.028 27 T HN 0.538 nan 8.240 nan 0.000 0.509 28 E N 1.828 121.973 120.200 -0.091 0.000 2.455 28 E HA -0.139 4.211 4.350 -0.000 0.000 0.202 28 E C 1.934 178.463 176.600 -0.118 0.000 1.045 28 E CA 1.344 57.685 56.400 -0.098 0.000 0.872 28 E CB -0.091 29.567 29.700 -0.071 0.000 0.792 28 E HN 1.018 nan 8.360 nan 0.000 0.542 29 E N 0.982 121.106 120.200 -0.128 0.000 2.008 29 E HA -0.151 4.199 4.350 -0.000 0.000 0.191 29 E C 1.609 178.023 176.600 -0.310 0.000 0.986 29 E CA 0.752 57.059 56.400 -0.154 0.000 0.807 29 E CB -0.305 29.337 29.700 -0.097 0.000 0.766 29 E HN 0.044 nan 8.360 nan 0.000 0.450 30 K N 0.636 120.803 120.400 -0.387 0.000 2.152 30 K HA -0.138 4.182 4.320 -0.000 0.000 0.206 30 K C 2.270 178.634 176.600 -0.393 0.000 1.048 30 K CA 1.393 57.333 56.287 -0.578 0.000 0.933 30 K CB -0.451 31.789 32.500 -0.435 0.000 0.721 30 K HN 0.240 nan 8.250 nan 0.000 0.447 31 I N 1.682 122.099 120.570 -0.255 0.000 2.074 31 I HA -0.423 3.747 4.170 -0.000 0.000 0.238 31 I C 2.295 178.312 176.117 -0.167 0.000 1.037 31 I CA 1.811 63.000 61.300 -0.185 0.000 1.301 31 I CB -0.075 37.839 38.000 -0.144 0.000 1.016 31 I HN 0.066 nan 8.210 nan 0.000 0.400 32 K N 0.493 120.800 120.400 -0.154 0.000 2.362 32 K HA -0.091 4.229 4.320 -0.000 0.000 0.200 32 K C 1.816 178.344 176.600 -0.120 0.000 1.046 32 K CA 0.967 57.188 56.287 -0.111 0.000 0.952 32 K CB -0.089 32.362 32.500 -0.082 0.000 0.753 32 K HN 0.551 nan 8.250 nan 0.000 0.466 33 A N 0.567 123.249 122.820 -0.230 0.000 2.066 33 A HA -0.019 4.301 4.320 -0.000 0.000 0.218 33 A C 1.811 179.319 177.584 -0.127 0.000 1.157 33 A CA 0.761 52.643 52.037 -0.259 0.000 0.670 33 A CB -0.136 18.393 19.000 -0.785 0.000 0.804 33 A HN 0.277 nan 8.150 nan 0.000 0.453 34 L N -0.871 120.281 121.223 -0.119 0.000 2.298 34 L HA -0.026 4.314 4.340 -0.000 0.000 0.209 34 L C 2.266 179.140 176.870 0.007 0.000 1.084 34 L CA 0.461 55.282 54.840 -0.031 0.000 0.816 34 L CB -0.288 41.749 42.059 -0.037 0.000 0.967 34 L HN 0.207 nan 8.230 nan 0.000 0.460 35 V N 0.865 120.765 119.914 -0.023 0.000 2.469 35 V HA -0.258 3.862 4.120 -0.000 0.000 0.251 35 V C 2.273 178.386 176.094 0.033 0.000 1.064 35 V CA 2.065 64.371 62.300 0.010 0.000 1.066 35 V CB -0.838 30.967 31.823 -0.030 0.000 0.667 35 V HN 0.591 nan 8.190 nan 0.000 0.461 36 E N 0.261 120.471 120.200 0.016 0.000 2.086 36 E HA -0.082 4.268 4.350 -0.000 0.000 0.190 36 E C 2.173 178.785 176.600 0.021 0.000 0.975 36 E CA 0.874 57.287 56.400 0.023 0.000 0.813 36 E CB -0.253 29.466 29.700 0.032 0.000 0.768 36 E HN 0.400 nan 8.360 nan 0.000 0.457 37 I N 1.763 122.352 120.570 0.031 0.000 2.142 37 I HA -0.267 3.902 4.170 -0.000 0.000 0.240 37 I C 2.510 178.621 176.117 -0.010 0.000 1.078 37 I CA 0.837 62.151 61.300 0.023 0.000 1.343 37 I CB -1.354 36.679 38.000 0.055 0.000 1.046 37 I HN 0.307 nan 8.210 nan 0.000 0.405 38 C N 0.867 120.181 119.300 0.023 0.000 2.398 38 C HA -0.207 4.253 4.460 -0.000 0.000 0.276 38 C C 3.028 177.910 174.990 -0.181 0.000 1.222 38 C CA 1.747 60.741 59.018 -0.039 0.000 1.746 38 C CB -1.247 26.624 27.740 0.218 0.000 2.039 38 C HN 0.552 nan 8.230 nan 0.000 0.470 39 T N -0.210 114.308 114.554 -0.061 0.000 2.833 39 T HA -0.166 4.184 4.350 -0.000 0.000 0.269 39 T C 1.628 176.275 174.700 -0.087 0.000 1.054 39 T CA 1.527 63.585 62.100 -0.069 0.000 1.135 39 T CB -0.262 68.609 68.868 0.005 0.000 0.869 39 T HN 0.506 nan 8.240 nan 0.000 0.466 40 E N 0.463 120.619 120.200 -0.073 0.000 2.285 40 E HA 0.133 4.483 4.350 -0.000 0.000 0.194 40 E C 1.997 178.534 176.600 -0.105 0.000 0.997 40 E CA 0.636 56.993 56.400 -0.071 0.000 0.845 40 E CB -0.174 29.494 29.700 -0.054 0.000 0.782 40 E HN 0.479 nan 8.360 nan 0.000 0.491 41 M N -0.501 119.012 119.600 -0.146 0.000 2.134 41 M HA -0.065 4.415 4.480 -0.000 0.000 0.262 41 M C 2.268 178.460 176.300 -0.181 0.000 1.076 41 M CA 1.438 56.633 55.300 -0.174 0.000 1.143 41 M CB -0.261 32.215 32.600 -0.206 0.000 1.346 41 M HN 0.083 nan 8.290 nan 0.000 0.421 42 E N 0.980 121.018 120.200 -0.270 0.000 2.219 42 E HA -0.272 4.078 4.350 -0.000 0.000 0.198 42 E C 1.906 178.436 176.600 -0.118 0.000 0.998 42 E CA 1.479 57.736 56.400 -0.238 0.000 0.818 42 E CB 0.019 29.520 29.700 -0.332 0.000 0.741 42 E HN 0.363 nan 8.360 nan 0.000 0.477 43 K N 0.598 120.939 120.400 -0.098 0.000 2.007 43 K HA -0.136 4.184 4.320 -0.000 0.000 0.206 43 K C 1.801 178.375 176.600 -0.044 0.000 1.047 43 K CA 1.450 57.704 56.287 -0.055 0.000 0.937 43 K CB 0.009 32.482 32.500 -0.046 0.000 0.718 43 K HN 0.106 nan 8.250 nan 0.000 0.438 44 E N -0.703 119.465 120.200 -0.053 0.000 2.501 44 E HA -0.111 4.239 4.350 -0.000 0.000 0.203 44 E C 0.890 177.481 176.600 -0.015 0.000 1.072 44 E CA 0.556 56.935 56.400 -0.036 0.000 0.885 44 E CB -0.060 29.609 29.700 -0.053 0.000 0.813 44 E HN 0.708 nan 8.360 nan 0.000 0.556 45 G N 1.263 110.049 108.800 -0.023 0.000 2.253 45 G HA2 -0.383 3.577 3.960 -0.000 0.000 0.251 45 G HA3 -0.383 3.577 3.960 -0.000 0.000 0.251 45 G C 1.056 175.967 174.900 0.019 0.000 0.998 45 G CA 0.662 45.763 45.100 0.001 0.000 0.621 45 G HN 0.175 nan 8.290 nan 0.000 0.524 46 K N 0.455 120.866 120.400 0.019 0.000 2.242 46 K HA 0.034 4.354 4.320 -0.000 0.000 0.206 46 K C 1.545 178.174 176.600 0.049 0.000 1.045 46 K CA 1.910 58.246 56.287 0.082 0.000 0.930 46 K CB -0.261 32.279 32.500 0.066 0.000 0.726 46 K HN 1.036 nan 8.250 nan 0.000 0.462 47 I N -7.163 113.372 120.570 -0.058 0.000 3.464 47 I HA 0.473 4.642 4.170 -0.000 0.000 0.317 47 I C -0.985 175.095 176.117 -0.062 0.000 1.229 47 I CA -1.113 60.136 61.300 -0.084 0.000 0.926 47 I CB 2.276 40.133 38.000 -0.238 0.000 1.341 47 I HN -0.338 nan 8.210 nan 0.000 0.479 48 S N -0.247 115.461 115.700 0.012 0.000 2.588 48 S HA 0.445 4.915 4.470 -0.000 0.000 0.269 48 S C -1.298 173.442 174.600 0.234 0.000 1.157 48 S CA -1.007 57.234 58.200 0.069 0.000 0.824 48 S CB 2.163 65.408 63.200 0.074 0.000 1.126 48 S HN 0.535 nan 8.310 nan 0.000 0.464 49 K N 0.749 121.295 120.400 0.242 0.000 2.098 49 K HA 0.688 5.008 4.320 -0.000 0.000 0.257 49 K C -1.002 175.668 176.600 0.118 0.000 0.999 49 K CA -0.495 55.934 56.287 0.237 0.000 0.924 49 K CB 0.410 33.016 32.500 0.176 0.000 1.028 49 K HN 0.440 nan 8.250 nan 0.000 0.466 50 I N -1.856 118.754 120.570 0.067 0.000 2.722 50 I HA 0.221 4.391 4.170 -0.000 0.000 0.292 50 I C 0.013 176.134 176.117 0.006 0.000 1.267 50 I CA -0.999 60.327 61.300 0.042 0.000 1.036 50 I CB 1.185 39.220 38.000 0.058 0.000 1.281 50 I HN 0.559 nan 8.210 nan 0.000 0.423 51 G N 4.421 113.221 108.800 0.001 0.000 2.195 51 G HA2 0.323 4.283 3.960 -0.000 0.000 0.264 51 G HA3 0.323 4.283 3.960 -0.000 0.000 0.264 51 G C -1.676 173.209 174.900 -0.026 0.000 1.148 51 G CA -0.618 44.472 45.100 -0.016 0.000 1.023 51 G HN 0.652 nan 8.290 nan 0.000 0.429 52 P HA -0.163 nan 4.420 nan 0.000 0.233 52 P C 1.498 178.762 177.300 -0.060 0.000 1.157 52 P CA 1.191 64.260 63.100 -0.052 0.000 0.764 52 P CB 0.087 31.752 31.700 -0.059 0.000 0.798 53 E N 1.606 121.775 120.200 -0.051 0.000 2.019 53 E HA -0.281 4.069 4.350 -0.000 0.000 0.208 53 E C 1.102 177.648 176.600 -0.090 0.000 1.030 53 E CA 2.058 58.423 56.400 -0.058 0.000 0.856 53 E CB -1.013 28.663 29.700 -0.041 0.000 0.781 53 E HN 0.296 nan 8.360 nan 0.000 0.471 54 N N 0.438 119.077 118.700 -0.102 0.000 2.235 54 N HA 0.238 4.978 4.740 -0.000 0.000 0.231 54 N C -2.368 172.971 175.510 -0.284 0.000 1.177 54 N CA -1.055 51.890 53.050 -0.174 0.000 0.874 54 N CB 0.161 38.572 38.487 -0.128 0.000 1.097 54 N HN 0.202 nan 8.380 nan 0.000 0.518 55 P HA 0.222 nan 4.420 nan 0.000 0.282 55 P C -0.581 176.539 177.300 -0.301 0.000 1.287 55 P CA -0.190 62.820 63.100 -0.150 0.000 0.792 55 P CB 1.127 32.827 31.700 0.001 0.000 1.163 56 Y N -1.014 119.217 120.300 -0.116 0.000 3.135 56 Y HA 0.554 5.104 4.550 -0.000 0.000 0.343 56 Y C 0.729 176.612 175.900 -0.029 0.000 1.322 56 Y CA -0.704 57.352 58.100 -0.075 0.000 0.993 56 Y CB 0.049 38.453 38.460 -0.094 0.000 1.306 56 Y HN 0.382 nan 8.280 nan 0.000 0.798 57 N N -2.134 116.685 118.700 0.199 0.000 3.049 57 N HA 0.447 5.187 4.740 -0.000 0.000 0.244 57 N C -2.026 173.537 175.510 0.088 0.000 1.203 57 N CA -0.363 52.761 53.050 0.123 0.000 0.945 57 N CB 1.617 40.144 38.487 0.067 0.000 1.616 57 N HN 0.542 nan 8.380 nan 0.000 0.505 58 T N 1.868 116.460 114.554 0.063 0.000 2.893 58 T HA 0.582 4.932 4.350 -0.000 0.000 0.291 58 T C -2.818 171.859 174.700 -0.038 0.000 1.028 58 T CA -1.170 60.914 62.100 -0.027 0.000 0.995 58 T CB 1.922 70.704 68.868 -0.143 0.000 1.051 58 T HN 0.274 nan 8.240 nan 0.000 0.470 59 P HA 0.227 nan 4.420 nan 0.000 0.267 59 P C -0.933 176.407 177.300 0.066 0.000 1.205 59 P CA -0.258 62.820 63.100 -0.036 0.000 0.765 59 P CB 0.259 31.910 31.700 -0.082 0.000 0.828 60 V N 4.800 124.808 119.914 0.157 0.000 2.370 60 V HA 0.433 4.553 4.120 -0.000 0.000 0.283 60 V C -0.096 176.189 176.094 0.318 0.000 1.023 60 V CA -0.270 62.176 62.300 0.244 0.000 0.857 60 V CB 0.310 32.248 31.823 0.192 0.000 0.985 60 V HN 0.312 nan 8.190 nan 0.000 0.443 61 F N 2.180 122.120 119.950 -0.016 0.000 2.561 61 F HA 0.868 5.395 4.527 -0.000 0.000 0.321 61 F C 0.323 176.139 175.800 0.027 0.000 1.065 61 F CA -1.096 56.897 58.000 -0.012 0.000 0.934 61 F CB 2.201 41.194 39.000 -0.011 0.000 1.215 61 F HN 0.566 nan 8.300 nan 0.000 0.471 62 A N 2.917 125.831 122.820 0.157 0.000 2.356 62 A HA 0.914 5.234 4.320 -0.000 0.000 0.310 62 A C -1.140 176.531 177.584 0.146 0.000 1.075 62 A CA -0.436 51.654 52.037 0.088 0.000 0.746 62 A CB 0.998 19.928 19.000 -0.116 0.000 1.221 62 A HN 0.756 nan 8.150 nan 0.000 0.443 63 I N -0.833 119.910 120.570 0.288 0.000 3.298 63 I HA 0.774 4.944 4.170 -0.000 0.000 0.315 63 I C -0.520 175.905 176.117 0.513 0.000 1.293 63 I CA -0.740 60.797 61.300 0.395 0.000 0.926 63 I CB 2.163 40.334 38.000 0.286 0.000 1.321 63 I HN 0.611 nan 8.210 nan 0.000 0.487 64 K N 1.639 122.237 120.400 0.330 0.000 3.506 64 K HA 0.138 4.458 4.320 -0.000 0.000 0.154 64 K C 0.511 177.138 176.600 0.045 0.000 0.966 64 K CA 0.063 56.416 56.287 0.111 0.000 0.896 64 K CB 0.138 32.523 32.500 -0.191 0.000 0.679 64 K HN 0.752 nan 8.250 nan 0.000 0.422 65 K N 2.408 122.863 120.400 0.092 0.000 2.265 65 K HA -0.291 4.029 4.320 -0.000 0.000 0.210 65 K C 0.384 176.999 176.600 0.025 0.000 1.036 65 K CA 2.394 58.721 56.287 0.066 0.000 0.934 65 K CB -0.402 32.136 32.500 0.064 0.000 0.765 65 K HN 0.611 nan 8.250 nan 0.000 0.485 66 K N -0.107 120.297 120.400 0.006 0.000 2.218 66 K HA -0.104 4.216 4.320 -0.000 0.000 0.250 66 K C -0.043 176.525 176.600 -0.052 0.000 1.024 66 K CA 0.699 56.972 56.287 -0.022 0.000 0.842 66 K CB 0.157 32.636 32.500 -0.035 0.000 1.041 66 K HN 0.113 nan 8.250 nan 0.000 0.522 67 D N 0.207 120.574 120.400 -0.054 0.000 2.891 67 D HA 0.125 4.765 4.640 -0.000 0.000 0.332 67 D C -0.649 175.606 176.300 -0.075 0.000 1.369 67 D CA -0.145 53.817 54.000 -0.064 0.000 0.827 67 D CB 0.097 40.875 40.800 -0.037 0.000 1.141 67 D HN 0.601 nan 8.370 nan 0.000 0.464 68 S N -2.431 113.207 115.700 -0.104 0.000 2.921 68 S HA 0.341 4.811 4.470 -0.000 0.000 0.315 68 S C 1.397 175.915 174.600 -0.137 0.000 1.087 68 S CA -0.275 57.868 58.200 -0.095 0.000 0.877 68 S CB 0.991 64.152 63.200 -0.066 0.000 1.340 68 S HN -0.110 nan 8.310 nan 0.000 0.622 69 T N 2.011 116.504 114.554 -0.102 0.000 2.665 69 T HA -0.036 4.314 4.350 -0.000 0.000 0.268 69 T C 0.766 175.385 174.700 -0.135 0.000 1.035 69 T CA 2.028 64.071 62.100 -0.096 0.000 1.151 69 T CB -0.663 68.174 68.868 -0.053 0.000 0.862 69 T HN 0.737 nan 8.240 nan 0.000 0.438 70 K N -1.960 118.353 120.400 -0.145 0.000 2.092 70 K HA 0.383 4.703 4.320 -0.000 0.000 0.252 70 K C -1.405 175.080 176.600 -0.193 0.000 0.988 70 K CA -1.056 55.153 56.287 -0.129 0.000 0.837 70 K CB 0.947 33.456 32.500 0.015 0.000 1.493 70 K HN 0.047 nan 8.250 nan 0.000 0.449 71 W N 0.826 122.140 121.300 0.024 0.000 2.689 71 W HA 0.469 5.129 4.660 -0.000 0.000 0.340 71 W C -0.338 176.206 176.519 0.042 0.000 1.060 71 W CA -0.531 56.836 57.345 0.036 0.000 1.218 71 W CB 2.080 31.562 29.460 0.036 0.000 1.410 71 W HN 0.371 nan 8.180 nan 0.000 0.528 72 R N 2.141 122.839 120.500 0.329 0.000 2.562 72 R HA 0.278 4.618 4.340 -0.000 0.000 0.298 72 R C -0.153 176.287 176.300 0.233 0.000 0.961 72 R CA -0.971 55.263 56.100 0.224 0.000 0.881 72 R CB 2.209 32.613 30.300 0.175 0.000 1.159 72 R HN 0.405 nan 8.270 nan 0.000 0.450 73 K N 3.515 124.035 120.400 0.200 0.000 2.234 73 K HA 0.353 4.673 4.320 -0.000 0.000 0.282 73 K C -0.896 175.843 176.600 0.232 0.000 1.039 73 K CA -0.379 56.033 56.287 0.209 0.000 0.928 73 K CB 0.805 33.432 32.500 0.210 0.000 1.039 73 K HN 0.552 nan 8.250 nan 0.000 0.470 74 L N 4.806 126.163 121.223 0.223 0.000 2.406 74 L HA 0.353 4.693 4.340 -0.000 0.000 0.270 74 L C -1.551 175.376 176.870 0.096 0.000 0.982 74 L CA -0.839 54.103 54.840 0.170 0.000 0.843 74 L CB 1.711 43.850 42.059 0.132 0.000 1.225 74 L HN 0.397 nan 8.230 nan 0.000 0.412 75 V N 3.834 123.765 119.914 0.027 0.000 2.461 75 V HA 0.197 4.317 4.120 -0.000 0.000 0.275 75 V C 0.112 175.955 176.094 -0.418 0.000 1.047 75 V CA -0.392 61.756 62.300 -0.254 0.000 0.955 75 V CB 1.314 32.788 31.823 -0.582 0.000 0.988 75 V HN 0.747 nan 8.190 nan 0.000 0.471 76 D N 4.069 124.204 120.400 -0.442 0.000 2.380 76 D HA 0.183 4.823 4.640 -0.000 0.000 0.230 76 D C 0.125 176.240 176.300 -0.309 0.000 1.154 76 D CA -0.204 53.583 54.000 -0.354 0.000 0.859 76 D CB 0.842 41.369 40.800 -0.455 0.000 1.045 76 D HN 0.459 nan 8.370 nan 0.000 0.495 77 F N 2.854 122.752 119.950 -0.087 0.000 2.727 77 F HA 0.185 4.712 4.527 -0.000 0.000 0.302 77 F C 2.363 178.150 175.800 -0.022 0.000 1.097 77 F CA -0.589 57.382 58.000 -0.049 0.000 1.330 77 F CB 0.173 39.150 39.000 -0.039 0.000 1.084 77 F HN 0.235 nan 8.300 nan 0.000 0.578 78 R N 0.655 121.222 120.500 0.113 0.000 2.261 78 R HA -0.314 4.026 4.340 -0.000 0.000 0.241 78 R C 1.512 177.865 176.300 0.088 0.000 1.113 78 R CA 2.317 58.458 56.100 0.069 0.000 0.908 78 R CB -0.849 29.462 30.300 0.017 0.000 0.938 78 R HN 0.158 nan 8.270 nan 0.000 0.427 79 E N 0.303 120.549 120.200 0.077 0.000 2.526 79 E HA -0.053 4.297 4.350 -0.000 0.000 0.198 79 E C 1.185 177.853 176.600 0.113 0.000 1.091 79 E CA 0.210 56.661 56.400 0.084 0.000 0.880 79 E CB 0.099 29.839 29.700 0.067 0.000 0.873 79 E HN 0.165 nan 8.360 nan 0.000 0.527 80 L N -0.343 120.976 121.223 0.160 0.000 2.349 80 L HA 0.160 4.500 4.340 -0.000 0.000 0.200 80 L C 1.121 178.124 176.870 0.222 0.000 1.064 80 L CA 1.046 56.000 54.840 0.189 0.000 0.821 80 L CB -0.326 41.894 42.059 0.267 0.000 1.027 80 L HN -0.022 nan 8.230 nan 0.000 0.476 81 N N 0.240 119.068 118.700 0.214 0.000 2.364 81 N HA -0.168 4.572 4.740 -0.000 0.000 0.183 81 N C 1.464 177.039 175.510 0.109 0.000 1.022 81 N CA 0.672 53.815 53.050 0.155 0.000 0.883 81 N CB -0.295 38.238 38.487 0.077 0.000 0.965 81 N HN 0.255 nan 8.380 nan 0.000 0.438 82 K N 1.037 121.500 120.400 0.105 0.000 2.487 82 K HA 0.112 4.431 4.320 -0.000 0.000 0.192 82 K C 0.613 177.268 176.600 0.091 0.000 1.027 82 K CA 0.214 56.550 56.287 0.080 0.000 1.054 82 K CB 0.325 32.868 32.500 0.071 0.000 0.824 82 K HN 0.201 nan 8.250 nan 0.000 0.510 83 R N -1.117 119.458 120.500 0.124 0.000 2.531 83 R HA 0.076 4.415 4.340 -0.000 0.000 0.316 83 R C 0.117 176.515 176.300 0.163 0.000 0.955 83 R CA -0.058 56.116 56.100 0.123 0.000 1.120 83 R CB 1.055 31.422 30.300 0.112 0.000 1.361 83 R HN -0.115 nan 8.270 nan 0.000 0.534 84 T N 1.758 116.441 114.554 0.215 0.000 2.845 84 T HA 0.108 4.458 4.350 -0.000 0.000 0.288 84 T C 0.039 174.830 174.700 0.152 0.000 0.980 84 T CA -0.610 61.656 62.100 0.275 0.000 1.071 84 T CB 1.022 70.146 68.868 0.427 0.000 0.941 84 T HN 0.229 nan 8.240 nan 0.000 0.487 85 Q N 3.529 123.379 119.800 0.083 0.000 2.450 85 Q HA 0.089 4.429 4.340 -0.000 0.000 0.294 85 Q C -0.736 175.248 176.000 -0.027 0.000 1.129 85 Q CA -0.123 55.651 55.803 -0.049 0.000 0.970 85 Q CB 0.164 28.769 28.738 -0.222 0.000 1.294 85 Q HN 0.573 nan 8.270 nan 0.000 0.453 86 D N 0.586 120.936 120.400 -0.084 0.000 2.312 86 D HA 0.425 5.065 4.640 -0.000 0.000 0.248 86 D C -0.859 175.323 176.300 -0.197 0.000 1.086 86 D CA -0.272 53.733 54.000 0.007 0.000 0.948 86 D CB 0.383 41.189 40.800 0.011 0.000 1.162 86 D HN 0.368 nan 8.370 nan 0.000 0.446 87 F N -0.726 119.156 119.950 -0.113 0.000 2.613 87 F HA 0.330 4.857 4.527 -0.000 0.000 0.342 87 F C 0.002 175.841 175.800 0.066 0.000 1.066 87 F CA -1.356 56.599 58.000 -0.075 0.000 1.002 87 F CB 0.795 39.682 39.000 -0.188 0.000 1.319 87 F HN 0.352 nan 8.300 nan 0.000 0.495 88 W N 3.060 124.368 121.300 0.013 0.000 2.510 88 W HA 0.204 4.864 4.660 -0.000 0.000 0.388 88 W C -0.554 175.962 176.519 -0.005 0.000 1.092 88 W CA -0.439 56.894 57.345 -0.020 0.000 1.562 88 W CB 0.131 29.570 29.460 -0.037 0.000 1.603 88 W HN 0.548 nan 8.180 nan 0.000 0.396 89 E N 3.647 123.623 120.200 -0.373 0.000 2.463 89 E HA -0.085 4.264 4.350 -0.000 0.000 0.248 89 E C 0.692 176.759 176.600 -0.888 0.000 1.106 89 E CA -0.115 55.983 56.400 -0.504 0.000 0.946 89 E CB 1.501 31.002 29.700 -0.331 0.000 0.971 89 E HN 0.402 nan 8.360 nan 0.000 0.478 90 V N 4.304 123.847 119.914 -0.618 0.000 3.644 90 V HA -0.105 4.015 4.120 -0.000 0.000 0.267 90 V C 1.698 177.650 176.094 -0.237 0.000 1.277 90 V CA 0.959 62.953 62.300 -0.511 0.000 1.096 90 V CB 0.100 31.743 31.823 -0.300 0.000 0.828 90 V HN 0.664 nan 8.190 nan 0.000 0.446 91 Q N -0.509 119.192 119.800 -0.165 0.000 2.403 91 Q HA -0.037 4.302 4.340 -0.000 0.000 0.203 91 Q C 1.807 177.767 176.000 -0.067 0.000 0.932 91 Q CA 0.689 56.471 55.803 -0.035 0.000 0.945 91 Q CB -0.141 28.615 28.738 0.030 0.000 1.045 91 Q HN 0.506 nan 8.270 nan 0.000 0.511 92 L N 0.977 122.098 121.223 -0.169 0.000 2.187 92 L HA 0.104 4.444 4.340 -0.000 0.000 0.213 92 L C 0.616 177.418 176.870 -0.112 0.000 1.100 92 L CA 1.762 56.505 54.840 -0.163 0.000 0.765 92 L CB -0.618 41.278 42.059 -0.271 0.000 0.904 92 L HN 0.260 nan 8.230 nan 0.000 0.437 93 G N -0.191 108.547 108.800 -0.104 0.000 2.422 93 G HA2 0.548 4.508 3.960 -0.000 0.000 0.317 93 G HA3 0.548 4.508 3.960 -0.000 0.000 0.317 93 G C -1.278 173.601 174.900 -0.034 0.000 1.210 93 G CA -0.391 44.668 45.100 -0.068 0.000 0.930 93 G HN 0.033 nan 8.290 nan 0.000 0.468 94 I N 3.648 124.187 120.570 -0.051 0.000 2.404 94 I HA 0.351 4.521 4.170 -0.000 0.000 0.293 94 I C -1.763 174.294 176.117 -0.100 0.000 0.992 94 I CA -2.358 58.909 61.300 -0.054 0.000 1.149 94 I CB 2.035 39.957 38.000 -0.129 0.000 1.315 94 I HN 0.307 nan 8.210 nan 0.000 0.446 95 P HA 0.102 nan 4.420 nan 0.000 0.276 95 P C -0.742 176.440 177.300 -0.197 0.000 1.253 95 P CA -0.129 62.877 63.100 -0.157 0.000 0.766 95 P CB 0.536 32.078 31.700 -0.263 0.000 0.845 96 H N 5.521 124.359 119.070 -0.386 0.000 2.767 96 H HA 0.144 4.700 4.556 -0.000 0.000 0.316 96 H C -1.697 173.256 175.328 -0.624 0.000 1.059 96 H CA -1.982 53.753 56.048 -0.523 0.000 1.461 96 H CB 0.886 30.362 29.762 -0.476 0.000 1.475 96 H HN 0.183 nan 8.280 nan 0.000 0.531 97 P HA -0.126 nan 4.420 nan 0.000 0.216 97 P C 0.932 177.818 177.300 -0.689 0.000 1.150 97 P CA 2.081 64.809 63.100 -0.620 0.000 0.843 97 P CB -0.008 31.184 31.700 -0.847 0.000 0.787 98 A N -0.771 121.622 122.820 -0.712 0.000 2.292 98 A HA 0.044 4.364 4.320 -0.000 0.000 0.209 98 A C 1.803 179.381 177.584 -0.010 0.000 1.209 98 A CA 1.588 53.400 52.037 -0.375 0.000 0.746 98 A CB -1.415 17.360 19.000 -0.375 0.000 0.764 98 A HN 0.338 nan 8.150 nan 0.000 0.492 99 G N -1.416 107.235 108.800 -0.249 0.000 3.651 99 G HA2 0.437 4.397 3.960 -0.000 0.000 0.267 99 G HA3 0.437 4.397 3.960 -0.000 0.000 0.267 99 G C 0.183 175.003 174.900 -0.134 0.000 1.009 99 G CA -0.334 44.701 45.100 -0.108 0.000 0.866 99 G HN 0.295 nan 8.290 nan 0.000 0.488 100 L N 0.691 121.703 121.223 -0.351 0.000 2.466 100 L HA 0.436 4.776 4.340 -0.000 0.000 0.257 100 L C 0.467 177.108 176.870 -0.381 0.000 1.189 100 L CA -0.481 54.068 54.840 -0.484 0.000 0.813 100 L CB 1.183 42.745 42.059 -0.828 0.000 1.118 100 L HN -0.043 nan 8.230 nan 0.000 0.471 101 K N 2.444 122.727 120.400 -0.194 0.000 2.221 101 K HA 0.243 4.563 4.320 -0.000 0.000 0.258 101 K C -0.464 176.309 176.600 0.287 0.000 0.944 101 K CA -0.803 55.536 56.287 0.088 0.000 0.823 101 K CB 1.500 34.052 32.500 0.086 0.000 1.113 101 K HN 0.446 nan 8.250 nan 0.000 0.431 102 K N 3.002 123.715 120.400 0.522 0.000 2.619 102 K HA -0.122 4.198 4.320 -0.000 0.000 0.278 102 K C -0.961 175.777 176.600 0.230 0.000 0.969 102 K CA 1.013 57.543 56.287 0.406 0.000 1.042 102 K CB 0.412 33.025 32.500 0.187 0.000 0.845 102 K HN 0.457 nan 8.250 nan 0.000 0.497 103 K N 3.520 124.035 120.400 0.192 0.000 2.561 103 K HA 0.138 4.457 4.320 -0.000 0.000 0.254 103 K C -0.060 176.585 176.600 0.074 0.000 0.942 103 K CA -0.681 55.670 56.287 0.108 0.000 0.818 103 K CB 1.693 34.252 32.500 0.097 0.000 1.306 103 K HN 0.589 nan 8.250 nan 0.000 0.435 104 K N 0.416 120.832 120.400 0.027 0.000 1.975 104 K HA -0.019 4.301 4.320 -0.000 0.000 0.217 104 K C 0.773 177.359 176.600 -0.023 0.000 1.037 104 K CA 1.029 57.321 56.287 0.008 0.000 0.971 104 K CB -0.299 32.198 32.500 -0.005 0.000 0.749 104 K HN 0.624 nan 8.250 nan 0.000 0.444 105 S N 1.787 117.400 115.700 -0.145 0.000 2.399 105 S HA 0.361 4.831 4.470 -0.000 0.000 0.301 105 S C -0.299 173.999 174.600 -0.503 0.000 1.093 105 S CA -0.971 57.033 58.200 -0.326 0.000 1.077 105 S CB 0.824 63.708 63.200 -0.527 0.000 0.980 105 S HN 0.060 nan 8.310 nan 0.000 0.494 106 V N 4.295 124.177 119.914 -0.054 0.000 2.417 106 V HA 0.604 4.724 4.120 -0.000 0.000 0.291 106 V C 0.188 176.521 176.094 0.399 0.000 1.024 106 V CA -0.377 62.008 62.300 0.141 0.000 0.861 106 V CB 1.662 33.597 31.823 0.188 0.000 0.985 106 V HN 1.020 nan 8.190 nan 0.000 0.436 107 T N 3.616 118.459 114.554 0.480 0.000 2.916 107 T HA 0.729 5.079 4.350 -0.000 0.000 0.292 107 T C -0.666 174.149 174.700 0.193 0.000 1.055 107 T CA -0.580 61.762 62.100 0.403 0.000 1.009 107 T CB 2.072 71.154 68.868 0.356 0.000 1.118 107 T HN 0.738 nan 8.240 nan 0.000 0.497 108 V N 0.511 120.481 119.914 0.093 0.000 2.638 108 V HA 0.737 4.857 4.120 -0.000 0.000 0.306 108 V C -1.014 174.969 176.094 -0.185 0.000 1.052 108 V CA -1.063 61.143 62.300 -0.156 0.000 0.885 108 V CB 1.217 32.691 31.823 -0.581 0.000 0.999 108 V HN 0.768 nan 8.190 nan 0.000 0.424 109 L N 2.561 123.701 121.223 -0.139 0.000 2.322 109 L HA 0.596 4.936 4.340 -0.000 0.000 0.279 109 L C -0.250 176.512 176.870 -0.180 0.000 1.036 109 L CA -0.449 54.302 54.840 -0.147 0.000 0.807 109 L CB 1.718 43.797 42.059 0.034 0.000 1.226 109 L HN 0.769 nan 8.230 nan 0.000 0.433 110 D N 0.956 121.228 120.400 -0.213 0.000 2.325 110 D HA 0.255 4.895 4.640 -0.000 0.000 0.251 110 D C 0.661 176.952 176.300 -0.015 0.000 1.196 110 D CA -0.315 53.621 54.000 -0.107 0.000 0.866 110 D CB 1.342 42.088 40.800 -0.089 0.000 1.101 110 D HN 0.357 nan 8.370 nan 0.000 0.476 111 V N 1.630 121.548 119.914 0.007 0.000 3.570 111 V HA 0.326 4.446 4.120 -0.000 0.000 0.257 111 V C 2.139 178.191 176.094 -0.069 0.000 1.272 111 V CA 0.705 63.023 62.300 0.029 0.000 1.079 111 V CB -0.326 31.599 31.823 0.171 0.000 0.829 111 V HN 0.634 nan 8.190 nan 0.000 0.454 112 G N 1.599 110.366 108.800 -0.055 0.000 3.013 112 G HA2 -0.440 3.520 3.960 -0.000 0.000 0.294 112 G HA3 -0.440 3.520 3.960 -0.000 0.000 0.294 112 G C 0.680 175.418 174.900 -0.270 0.000 1.131 112 G CA 2.153 47.207 45.100 -0.077 0.000 0.916 112 G HN 0.653 nan 8.290 nan 0.000 0.700 113 D N 0.373 120.604 120.400 -0.282 0.000 2.895 113 D HA 0.612 5.252 4.640 -0.000 0.000 0.258 113 D C 1.548 177.620 176.300 -0.380 0.000 1.311 113 D CA 0.479 54.237 54.000 -0.403 0.000 0.843 113 D CB 0.475 41.200 40.800 -0.125 0.000 1.055 113 D HN 0.372 nan 8.370 nan 0.000 0.486 114 A N -0.133 122.389 122.820 -0.496 0.000 1.956 114 A HA -0.060 4.260 4.320 -0.000 0.000 0.212 114 A C 1.596 179.004 177.584 -0.295 0.000 1.188 114 A CA 0.223 52.112 52.037 -0.248 0.000 0.675 114 A CB -0.612 18.358 19.000 -0.051 0.000 0.845 114 A HN 0.477 nan 8.150 nan 0.000 0.455 115 Y N -2.515 117.469 120.300 -0.527 0.000 2.384 115 Y HA -0.073 4.477 4.550 -0.000 0.000 0.289 115 Y C 1.654 177.454 175.900 -0.165 0.000 1.152 115 Y CA 0.618 58.452 58.100 -0.442 0.000 1.258 115 Y CB -1.229 36.832 38.460 -0.664 0.000 0.979 115 Y HN 0.192 nan 8.280 nan 0.000 0.549 116 F N 1.253 121.038 119.950 -0.275 0.000 2.546 116 F HA -0.138 4.389 4.527 -0.000 0.000 0.298 116 F C 2.226 178.043 175.800 0.029 0.000 1.120 116 F CA 1.151 59.125 58.000 -0.042 0.000 1.456 116 F CB -0.023 38.896 39.000 -0.135 0.000 1.088 116 F HN 0.323 nan 8.300 nan 0.000 0.572 117 S N -2.060 113.748 115.700 0.180 0.000 2.505 117 S HA 0.145 4.615 4.470 -0.000 0.000 0.216 117 S C 0.444 175.148 174.600 0.173 0.000 1.018 117 S CA -0.254 58.044 58.200 0.162 0.000 0.911 117 S CB -0.480 62.795 63.200 0.126 0.000 0.818 117 S HN -0.121 nan 8.310 nan 0.000 0.497 118 V N 5.815 125.847 119.914 0.196 0.000 2.479 118 V HA 0.257 4.377 4.120 -0.000 0.000 0.281 118 V C -1.829 174.374 176.094 0.180 0.000 1.031 118 V CA -1.767 60.659 62.300 0.210 0.000 1.038 118 V CB 0.306 32.297 31.823 0.279 0.000 0.981 118 V HN 0.338 nan 8.190 nan 0.000 0.478 119 P HA 0.062 nan 4.420 nan 0.000 0.272 119 P C -0.638 176.754 177.300 0.153 0.000 1.243 119 P CA -0.153 63.037 63.100 0.149 0.000 0.803 119 P CB 0.949 32.730 31.700 0.134 0.000 0.974 120 L N 0.151 121.460 121.223 0.144 0.000 2.408 120 L HA 0.420 4.760 4.340 -0.000 0.000 0.268 120 L C -0.347 176.612 176.870 0.147 0.000 0.986 120 L CA -0.880 54.048 54.840 0.147 0.000 0.820 120 L CB 1.689 43.803 42.059 0.090 0.000 1.303 120 L HN 0.147 nan 8.230 nan 0.000 0.411 121 D N 3.040 123.541 120.400 0.167 0.000 2.793 121 D HA -0.181 4.459 4.640 -0.000 0.000 0.230 121 D C 0.819 177.215 176.300 0.161 0.000 1.139 121 D CA 0.791 54.886 54.000 0.158 0.000 0.838 121 D CB 0.785 41.684 40.800 0.165 0.000 1.149 121 D HN 0.721 nan 8.370 nan 0.000 0.526 122 E N 2.752 123.032 120.200 0.133 0.000 2.495 122 E HA -0.173 4.177 4.350 -0.000 0.000 0.204 122 E C 0.308 176.990 176.600 0.137 0.000 1.163 122 E CA 0.438 56.913 56.400 0.124 0.000 0.922 122 E CB 0.210 29.970 29.700 0.101 0.000 0.918 122 E HN 0.388 nan 8.360 nan 0.000 0.537 123 D N -1.081 119.424 120.400 0.175 0.000 2.525 123 D HA -0.011 4.629 4.640 -0.000 0.000 0.231 123 D C -0.485 175.992 176.300 0.295 0.000 1.216 123 D CA -0.166 53.953 54.000 0.199 0.000 0.813 123 D CB 0.318 41.221 40.800 0.172 0.000 1.108 123 D HN 0.234 nan 8.370 nan 0.000 0.524 124 F N 0.956 120.960 119.950 0.089 0.000 2.805 124 F HA 0.358 4.885 4.527 -0.000 0.000 0.317 124 F C 1.295 177.112 175.800 0.029 0.000 1.146 124 F CA -0.216 57.810 58.000 0.044 0.000 1.265 124 F CB 0.178 39.121 39.000 -0.095 0.000 0.992 124 F HN -0.246 nan 8.300 nan 0.000 0.511 125 R N 0.193 120.754 120.500 0.102 0.000 2.189 125 R HA 0.047 4.387 4.340 -0.000 0.000 0.203 125 R C 2.213 178.518 176.300 0.008 0.000 1.012 125 R CA 0.680 56.802 56.100 0.036 0.000 1.015 125 R CB -0.023 30.333 30.300 0.093 0.000 0.938 125 R HN 0.244 nan 8.270 nan 0.000 0.472 126 K N 0.386 120.791 120.400 0.007 0.000 2.152 126 K HA -0.169 4.150 4.320 -0.000 0.000 0.206 126 K C 0.990 177.456 176.600 -0.224 0.000 1.048 126 K CA 1.544 57.780 56.287 -0.085 0.000 0.933 126 K CB -0.323 32.088 32.500 -0.149 0.000 0.721 126 K HN 0.311 nan 8.250 nan 0.000 0.447 127 Y N 2.520 122.562 120.300 -0.431 0.000 2.578 127 Y HA -0.016 4.534 4.550 -0.000 0.000 0.297 127 Y C 1.977 177.655 175.900 -0.370 0.000 1.176 127 Y CA 0.876 58.611 58.100 -0.608 0.000 1.315 127 Y CB -0.026 37.822 38.460 -1.020 0.000 1.031 127 Y HN 0.235 nan 8.280 nan 0.000 0.524 128 T N -2.630 111.865 114.554 -0.098 0.000 3.105 128 T HA 0.464 4.814 4.350 -0.000 0.000 0.253 128 T C 0.834 175.627 174.700 0.156 0.000 1.047 128 T CA -0.112 62.015 62.100 0.045 0.000 0.944 128 T CB -0.278 68.611 68.868 0.036 0.000 1.016 128 T HN 0.194 nan 8.240 nan 0.000 0.544 129 A N 2.343 125.258 122.820 0.159 0.000 2.520 129 A HA 0.528 4.847 4.320 -0.000 0.000 0.245 129 A C -0.033 177.779 177.584 0.380 0.000 1.072 129 A CA -0.351 51.858 52.037 0.287 0.000 0.761 129 A CB -0.507 18.607 19.000 0.191 0.000 1.004 129 A HN 0.650 nan 8.150 nan 0.000 0.499 130 F N -0.568 119.421 119.950 0.065 0.000 2.626 130 F HA 0.793 5.320 4.527 -0.000 0.000 0.311 130 F C -0.485 175.307 175.800 -0.012 0.000 1.088 130 F CA -1.780 56.231 58.000 0.019 0.000 0.949 130 F CB 0.912 39.927 39.000 0.025 0.000 1.322 130 F HN 0.240 nan 8.300 nan 0.000 0.461 131 T N 4.033 118.539 114.554 -0.079 0.000 2.833 131 T HA 0.441 4.791 4.350 -0.000 0.000 0.297 131 T C -0.900 173.639 174.700 -0.269 0.000 1.015 131 T CA -0.313 61.643 62.100 -0.240 0.000 0.963 131 T CB 0.658 69.447 68.868 -0.132 0.000 0.955 131 T HN 0.597 nan 8.240 nan 0.000 0.449 132 I N 7.544 127.872 120.570 -0.404 0.000 2.342 132 I HA 0.379 4.549 4.170 -0.000 0.000 0.291 132 I C -1.889 174.080 176.117 -0.246 0.000 1.010 132 I CA -2.541 58.579 61.300 -0.301 0.000 1.308 132 I CB 1.579 39.377 38.000 -0.337 0.000 1.400 132 I HN 0.383 nan 8.210 nan 0.000 0.488 133 P HA 0.217 nan 4.420 nan 0.000 0.312 133 P C -0.557 176.659 177.300 -0.139 0.000 1.307 133 P CA -0.312 62.701 63.100 -0.145 0.000 0.738 133 P CB 0.992 32.625 31.700 -0.112 0.000 1.422 134 S N -1.825 113.808 115.700 -0.110 0.000 2.740 134 S HA 0.356 4.825 4.470 -0.000 0.000 0.300 134 S C 1.551 176.102 174.600 -0.080 0.000 1.147 134 S CA -0.733 57.409 58.200 -0.097 0.000 0.871 134 S CB 0.625 63.772 63.200 -0.089 0.000 1.173 134 S HN 0.341 nan 8.310 nan 0.000 0.510 135 I N 1.594 122.122 120.570 -0.070 0.000 2.093 135 I HA -0.253 3.917 4.170 -0.000 0.000 0.239 135 I C 0.484 176.569 176.117 -0.054 0.000 1.026 135 I CA 1.581 62.845 61.300 -0.059 0.000 1.295 135 I CB -0.053 37.918 38.000 -0.048 0.000 1.007 135 I HN 0.499 nan 8.210 nan 0.000 0.401 136 N N 0.251 118.921 118.700 -0.049 0.000 3.127 136 N HA -0.018 4.722 4.740 -0.000 0.000 0.239 136 N C -0.903 174.583 175.510 -0.040 0.000 1.200 136 N CA -0.181 52.843 53.050 -0.043 0.000 0.924 136 N CB 0.777 39.242 38.487 -0.036 0.000 1.583 136 N HN 0.127 nan 8.380 nan 0.000 0.645 137 N N 1.413 120.087 118.700 -0.042 0.000 2.686 137 N HA -0.219 4.521 4.740 -0.000 0.000 0.249 137 N C 0.873 176.357 175.510 -0.042 0.000 1.082 137 N CA 1.041 54.067 53.050 -0.040 0.000 0.725 137 N CB -0.083 38.384 38.487 -0.032 0.000 1.009 137 N HN 0.703 nan 8.380 nan 0.000 0.545 138 E N -0.847 119.324 120.200 -0.049 0.000 2.060 138 E HA 0.024 4.374 4.350 -0.000 0.000 0.189 138 E C -0.087 176.480 176.600 -0.054 0.000 0.974 138 E CA 1.123 57.494 56.400 -0.048 0.000 0.808 138 E CB 0.289 29.959 29.700 -0.051 0.000 0.768 138 E HN 0.423 nan 8.360 nan 0.000 0.453 139 T N 0.864 115.378 114.554 -0.066 0.000 2.896 139 T HA 0.273 4.623 4.350 -0.000 0.000 0.297 139 T C -2.229 172.421 174.700 -0.083 0.000 1.108 139 T CA -1.136 60.919 62.100 -0.075 0.000 1.004 139 T CB 2.029 70.843 68.868 -0.089 0.000 1.159 139 T HN -0.055 nan 8.240 nan 0.000 0.499 140 P HA 0.088 nan 4.420 nan 0.000 0.226 140 P C 0.605 177.837 177.300 -0.113 0.000 1.146 140 P CA 0.888 63.936 63.100 -0.087 0.000 0.773 140 P CB -0.137 31.513 31.700 -0.084 0.000 0.772 141 G N -0.122 108.596 108.800 -0.137 0.000 2.592 141 G HA2 -0.019 3.941 3.960 -0.000 0.000 0.685 141 G HA3 -0.019 3.941 3.960 -0.000 0.000 0.685 141 G C -1.102 173.646 174.900 -0.253 0.000 1.278 141 G CA -0.954 44.037 45.100 -0.182 0.000 0.822 141 G HN 0.004 nan 8.290 nan 0.000 0.652 142 I N 1.434 121.807 120.570 -0.329 0.000 2.421 142 I HA 0.364 4.534 4.170 -0.000 0.000 0.291 142 I C 1.163 176.839 176.117 -0.734 0.000 1.089 142 I CA 0.273 61.271 61.300 -0.504 0.000 1.354 142 I CB 0.857 38.556 38.000 -0.502 0.000 1.413 142 I HN 0.456 nan 8.210 nan 0.000 0.513 143 R N 6.545 126.652 120.500 -0.656 0.000 2.246 143 R HA 0.494 4.834 4.340 -0.000 0.000 0.332 143 R C -1.212 174.832 176.300 -0.427 0.000 0.974 143 R CA -0.529 55.248 56.100 -0.538 0.000 0.837 143 R CB 0.780 30.924 30.300 -0.260 0.000 1.145 143 R HN 0.523 nan 8.270 nan 0.000 0.467 144 Y N 1.073 121.245 120.300 -0.213 0.000 2.602 144 Y HA 0.342 4.892 4.550 -0.000 0.000 0.330 144 Y C 0.125 176.246 175.900 0.367 0.000 1.114 144 Y CA -1.038 57.090 58.100 0.046 0.000 1.182 144 Y CB 2.027 40.522 38.460 0.059 0.000 1.305 144 Y HN 0.400 nan 8.280 nan 0.000 0.502 145 Q N 0.583 120.677 119.800 0.490 0.000 2.372 145 Q HA 0.361 4.701 4.340 -0.000 0.000 0.273 145 Q C -2.133 173.996 176.000 0.215 0.000 1.078 145 Q CA -0.836 55.164 55.803 0.329 0.000 0.806 145 Q CB 1.727 30.589 28.738 0.206 0.000 1.332 145 Q HN 0.715 nan 8.270 nan 0.000 0.435 146 Y N 2.397 122.734 120.300 0.062 0.000 2.359 146 Y HA 0.157 4.706 4.550 -0.000 0.000 0.330 146 Y C 0.922 176.845 175.900 0.038 0.000 1.143 146 Y CA 0.468 58.581 58.100 0.022 0.000 1.318 146 Y CB 1.011 39.440 38.460 -0.052 0.000 1.234 146 Y HN 0.723 nan 8.280 nan 0.000 0.522 147 N N 1.263 120.123 118.700 0.267 0.000 2.220 147 N HA 0.075 4.815 4.740 -0.000 0.000 0.195 147 N C -0.229 175.395 175.510 0.191 0.000 1.123 147 N CA 0.504 53.664 53.050 0.183 0.000 0.874 147 N CB 0.705 39.272 38.487 0.133 0.000 0.995 147 N HN 0.458 nan 8.380 nan 0.000 0.498 148 V N -2.644 117.423 119.914 0.255 0.000 3.856 148 V HA 0.537 4.657 4.120 -0.000 0.000 0.302 148 V C -0.175 175.974 176.094 0.092 0.000 1.389 148 V CA -0.895 61.524 62.300 0.199 0.000 0.964 148 V CB 0.933 32.909 31.823 0.255 0.000 1.227 148 V HN -0.224 nan 8.190 nan 0.000 0.474 149 L N 3.197 124.436 121.223 0.027 0.000 2.295 149 L HA 0.445 4.785 4.340 -0.000 0.000 0.288 149 L C -2.244 174.354 176.870 -0.454 0.000 1.079 149 L CA -1.533 53.237 54.840 -0.117 0.000 0.830 149 L CB 0.529 42.564 42.059 -0.039 0.000 1.200 149 L HN 0.449 nan 8.230 nan 0.000 0.438 150 P HA -0.154 nan 4.420 nan 0.000 0.266 150 P C 0.066 176.903 177.300 -0.772 0.000 1.186 150 P CA 0.144 62.532 63.100 -1.185 0.000 0.767 150 P CB 0.723 31.583 31.700 -1.400 0.000 0.820 151 Q N 1.531 121.073 119.800 -0.431 0.000 2.515 151 Q HA -0.037 4.303 4.340 -0.000 0.000 0.212 151 Q C 1.414 177.268 176.000 -0.244 0.000 0.970 151 Q CA 1.324 56.953 55.803 -0.289 0.000 0.941 151 Q CB -0.301 28.528 28.738 0.151 0.000 0.998 151 Q HN 0.695 nan 8.270 nan 0.000 0.518 152 G N -0.646 107.991 108.800 -0.272 0.000 2.780 152 G HA2 -0.097 3.863 3.960 -0.000 0.000 0.198 152 G HA3 -0.097 3.863 3.960 -0.000 0.000 0.198 152 G C -0.203 174.481 174.900 -0.361 0.000 1.067 152 G CA -0.485 44.528 45.100 -0.144 0.000 0.765 152 G HN 0.363 nan 8.290 nan 0.000 0.581 153 W N 2.808 123.472 121.300 -1.059 0.000 2.745 153 W HA -0.112 4.548 4.660 -0.000 0.000 0.322 153 W C 1.680 177.882 176.519 -0.528 0.000 1.024 153 W CA 0.342 57.206 57.345 -0.801 0.000 1.264 153 W CB 0.594 29.561 29.460 -0.821 0.000 1.136 153 W HN 0.206 nan 8.180 nan 0.000 0.553 154 K N 3.255 123.289 120.400 -0.609 0.000 1.985 154 K HA -0.052 4.268 4.320 -0.000 0.000 0.210 154 K C 1.343 177.225 176.600 -1.197 0.000 1.047 154 K CA 1.536 57.401 56.287 -0.703 0.000 0.932 154 K CB -0.759 31.468 32.500 -0.454 0.000 0.716 154 K HN 0.564 nan 8.250 nan 0.000 0.439 155 G N 0.269 107.744 108.800 -2.209 0.000 2.916 155 G HA2 0.141 4.101 3.960 -0.000 0.000 0.280 155 G HA3 0.141 4.101 3.960 -0.000 0.000 0.280 155 G C -0.102 173.626 174.900 -1.955 0.000 0.758 155 G CA -0.324 43.023 45.100 -2.921 0.000 1.993 155 G HN 0.246 nan 8.290 nan 0.000 0.564 156 S N 1.791 116.844 115.700 -1.079 0.000 3.792 156 S HA 0.190 4.660 4.470 -0.000 0.000 0.229 156 S C -0.583 173.768 174.600 -0.416 0.000 1.118 156 S CA 0.298 58.132 58.200 -0.611 0.000 0.877 156 S CB 0.227 63.088 63.200 -0.565 0.000 1.077 156 S HN 0.364 nan 8.310 nan 0.000 0.546 157 P HA -0.091 nan 4.420 nan 0.000 0.217 157 P C 1.075 178.293 177.300 -0.137 0.000 1.148 157 P CA 1.604 64.572 63.100 -0.219 0.000 0.828 157 P CB -0.100 31.455 31.700 -0.241 0.000 0.783 158 A N 1.220 123.881 122.820 -0.266 0.000 1.839 158 A HA -0.120 4.200 4.320 -0.000 0.000 0.213 158 A C 2.361 179.887 177.584 -0.097 0.000 1.274 158 A CA 1.499 53.435 52.037 -0.169 0.000 0.608 158 A CB -1.535 17.346 19.000 -0.199 0.000 0.920 158 A HN 0.029 nan 8.150 nan 0.000 0.465 159 I N -0.922 119.555 120.570 -0.155 0.000 2.285 159 I HA -0.348 3.821 4.170 -0.000 0.000 0.253 159 I C 2.419 178.555 176.117 0.032 0.000 1.104 159 I CA 2.346 63.624 61.300 -0.037 0.000 1.372 159 I CB -0.932 37.025 38.000 -0.073 0.000 1.057 159 I HN 0.565 nan 8.210 nan 0.000 0.431 160 F N 1.747 121.628 119.950 -0.115 0.000 2.014 160 F HA -0.288 4.239 4.527 -0.000 0.000 0.295 160 F C 2.912 178.683 175.800 -0.048 0.000 1.145 160 F CA 1.944 59.912 58.000 -0.053 0.000 1.178 160 F CB -0.437 38.537 39.000 -0.043 0.000 0.972 160 F HN -0.054 nan 8.300 nan 0.000 0.476 161 Q N 0.311 119.939 119.800 -0.286 0.000 2.248 161 Q HA -0.236 4.104 4.340 -0.000 0.000 0.208 161 Q C 2.098 177.939 176.000 -0.267 0.000 0.984 161 Q CA 1.552 57.117 55.803 -0.396 0.000 0.875 161 Q CB -0.267 28.377 28.738 -0.157 0.000 0.910 161 Q HN 0.570 nan 8.270 nan 0.000 0.433 162 S N -0.475 115.136 115.700 -0.148 0.000 2.407 162 S HA -0.156 4.314 4.470 -0.000 0.000 0.192 162 S C 1.765 176.269 174.600 -0.159 0.000 1.169 162 S CA 1.533 59.680 58.200 -0.089 0.000 1.496 162 S CB -0.622 62.566 63.200 -0.018 0.000 0.918 162 S HN 0.577 nan 8.310 nan 0.000 0.388 163 S N 1.511 117.139 115.700 -0.120 0.000 2.545 163 S HA -0.361 4.109 4.470 -0.000 0.000 0.311 163 S C 1.727 176.171 174.600 -0.259 0.000 1.239 163 S CA 2.366 60.483 58.200 -0.139 0.000 1.200 163 S CB -1.140 62.027 63.200 -0.055 0.000 1.217 163 S HN 0.663 nan 8.310 nan 0.000 0.441 164 M N 1.428 120.770 119.600 -0.429 0.000 2.605 164 M HA -0.166 4.314 4.480 -0.000 0.000 0.269 164 M C 2.122 178.228 176.300 -0.323 0.000 1.064 164 M CA 2.515 57.520 55.300 -0.491 0.000 1.078 164 M CB -1.603 30.528 32.600 -0.781 0.000 1.234 164 M HN 0.289 nan 8.290 nan 0.000 0.483 165 T N 0.574 114.968 114.554 -0.267 0.000 2.656 165 T HA -0.338 4.012 4.350 -0.000 0.000 0.262 165 T C 1.767 176.382 174.700 -0.140 0.000 1.070 165 T CA 2.511 64.515 62.100 -0.160 0.000 1.160 165 T CB -0.443 68.358 68.868 -0.112 0.000 0.855 165 T HN 0.432 nan 8.240 nan 0.000 0.456 166 K N 0.105 120.410 120.400 -0.158 0.000 1.977 166 K HA -0.106 4.214 4.320 -0.000 0.000 0.218 166 K C 2.217 178.685 176.600 -0.220 0.000 1.051 166 K CA 1.752 57.949 56.287 -0.151 0.000 0.953 166 K CB -0.337 32.075 32.500 -0.146 0.000 0.727 166 K HN 0.209 nan 8.250 nan 0.000 0.445 167 I N 1.460 121.805 120.570 -0.374 0.000 2.121 167 I HA -0.354 3.816 4.170 -0.000 0.000 0.243 167 I C 2.290 178.253 176.117 -0.257 0.000 1.047 167 I CA 1.797 62.717 61.300 -0.633 0.000 1.308 167 I CB -1.292 36.235 38.000 -0.788 0.000 1.015 167 I HN 0.298 nan 8.210 nan 0.000 0.410 168 L N 0.032 121.169 121.223 -0.142 0.000 2.201 168 L HA -0.167 4.173 4.340 -0.000 0.000 0.212 168 L C 2.518 179.448 176.870 0.101 0.000 1.105 168 L CA 0.934 55.799 54.840 0.041 0.000 0.775 168 L CB -0.692 41.360 42.059 -0.011 0.000 0.913 168 L HN 0.326 nan 8.230 nan 0.000 0.440 169 E N 0.858 121.069 120.200 0.018 0.000 2.082 169 E HA -0.271 4.079 4.350 -0.000 0.000 0.215 169 E C -0.496 176.129 176.600 0.041 0.000 1.048 169 E CA 2.522 58.935 56.400 0.021 0.000 0.869 169 E CB -0.831 28.862 29.700 -0.010 0.000 0.773 169 E HN 0.334 nan 8.360 nan 0.000 0.466 170 P HA -0.188 nan 4.420 nan 0.000 0.215 170 P C 1.555 178.854 177.300 -0.001 0.000 1.157 170 P CA 1.323 64.438 63.100 0.024 0.000 0.868 170 P CB -0.446 31.284 31.700 0.051 0.000 0.788 171 F N 1.459 121.300 119.950 -0.181 0.000 2.307 171 F HA -0.109 4.418 4.527 -0.000 0.000 0.301 171 F C 2.208 177.968 175.800 -0.067 0.000 1.076 171 F CA 1.445 59.332 58.000 -0.188 0.000 1.383 171 F CB -0.303 38.568 39.000 -0.216 0.000 1.055 171 F HN -0.177 nan 8.300 nan 0.000 0.526 172 K N 0.060 120.523 120.400 0.105 0.000 2.400 172 K HA -0.006 4.314 4.320 -0.000 0.000 0.194 172 K C 1.549 178.129 176.600 -0.034 0.000 1.033 172 K CA 0.433 56.748 56.287 0.047 0.000 1.021 172 K CB 0.075 32.627 32.500 0.087 0.000 0.808 172 K HN 0.177 nan 8.250 nan 0.000 0.505 173 K N 0.112 120.482 120.400 -0.050 0.000 2.358 173 K HA 0.077 4.397 4.320 -0.000 0.000 0.197 173 K C 0.527 177.078 176.600 -0.082 0.000 1.025 173 K CA 0.187 56.444 56.287 -0.050 0.000 1.104 173 K CB 0.638 33.122 32.500 -0.026 0.000 0.855 173 K HN 0.186 nan 8.250 nan 0.000 0.531 174 Q N -0.398 119.314 119.800 -0.146 0.000 2.149 174 Q HA 0.187 4.527 4.340 -0.000 0.000 0.221 174 Q C -0.139 175.731 176.000 -0.216 0.000 0.807 174 Q CA -0.021 55.685 55.803 -0.162 0.000 1.000 174 Q CB 0.902 29.538 28.738 -0.171 0.000 1.157 174 Q HN 0.108 nan 8.270 nan 0.000 0.487 175 N N 0.817 119.381 118.700 -0.227 0.000 2.545 175 N HA 0.082 4.822 4.740 -0.000 0.000 0.283 175 N C -2.295 173.151 175.510 -0.107 0.000 1.596 175 N CA -0.576 52.349 53.050 -0.209 0.000 0.862 175 N CB 1.015 39.279 38.487 -0.372 0.000 1.422 175 N HN 0.091 nan 8.380 nan 0.000 0.489 176 P HA -0.140 nan 4.420 nan 0.000 0.229 176 P C 0.206 177.493 177.300 -0.021 0.000 1.147 176 P CA 1.211 64.288 63.100 -0.038 0.000 0.766 176 P CB 0.364 32.044 31.700 -0.033 0.000 0.775 177 D N 0.207 120.593 120.400 -0.023 0.000 2.262 177 D HA 0.032 4.672 4.640 -0.000 0.000 0.212 177 D C 1.644 177.951 176.300 0.011 0.000 0.964 177 D CA 0.199 54.196 54.000 -0.005 0.000 0.875 177 D CB -0.185 40.612 40.800 -0.006 0.000 0.996 177 D HN 0.350 nan 8.370 nan 0.000 0.497 178 I N -0.819 119.762 120.570 0.017 0.000 3.156 178 I HA 0.407 4.577 4.170 -0.000 0.000 0.306 178 I C -0.268 175.886 176.117 0.062 0.000 1.048 178 I CA -0.767 60.567 61.300 0.056 0.000 1.207 178 I CB 1.674 39.733 38.000 0.098 0.000 1.456 178 I HN -0.233 nan 8.210 nan 0.000 0.616 179 V N 3.641 123.608 119.914 0.088 0.000 2.851 179 V HA 0.560 4.680 4.120 -0.000 0.000 0.307 179 V C -1.125 175.033 176.094 0.107 0.000 1.129 179 V CA -0.431 61.914 62.300 0.075 0.000 0.932 179 V CB 1.908 33.748 31.823 0.029 0.000 1.024 179 V HN 0.673 nan 8.190 nan 0.000 0.426 180 I N 6.703 127.338 120.570 0.109 0.000 2.530 180 I HA 0.635 4.805 4.170 -0.000 0.000 0.297 180 I C -0.956 175.235 176.117 0.125 0.000 1.011 180 I CA -0.439 60.931 61.300 0.117 0.000 1.107 180 I CB 1.791 39.855 38.000 0.107 0.000 1.285 180 I HN 0.705 nan 8.210 nan 0.000 0.436 181 Y N 4.654 124.927 120.300 -0.045 0.000 2.534 181 Y HA 0.621 5.171 4.550 -0.000 0.000 0.345 181 Y C -0.979 174.899 175.900 -0.037 0.000 1.031 181 Y CA -0.722 57.312 58.100 -0.109 0.000 1.022 181 Y CB 1.618 39.912 38.460 -0.275 0.000 1.292 181 Y HN 0.678 nan 8.280 nan 0.000 0.459 182 Q N 3.251 122.491 119.800 -0.932 0.000 2.359 182 Q HA 0.499 4.839 4.340 -0.000 0.000 0.275 182 Q C -2.312 173.266 176.000 -0.702 0.000 1.082 182 Q CA -0.928 54.530 55.803 -0.575 0.000 0.849 182 Q CB 2.223 30.801 28.738 -0.266 0.000 1.377 182 Q HN 0.728 nan 8.270 nan 0.000 0.452 183 Y N 4.224 124.354 120.300 -0.285 0.000 2.477 183 Y HA 0.205 4.755 4.550 -0.000 0.000 0.332 183 Y C -0.171 175.780 175.900 0.086 0.000 1.151 183 Y CA -0.416 57.654 58.100 -0.051 0.000 1.349 183 Y CB 0.126 38.695 38.460 0.182 0.000 1.108 183 Y HN 0.912 nan 8.280 nan 0.000 0.567 184 M N 0.454 120.037 119.600 -0.028 0.000 6.835 184 M HA -0.348 4.132 4.480 -0.000 0.000 0.128 184 M C 0.918 177.226 176.300 0.014 0.000 0.523 184 M CA 2.804 58.045 55.300 -0.098 0.000 1.223 184 M CB -1.523 30.879 32.600 -0.330 0.000 0.771 184 M HN 0.677 nan 8.290 nan 0.000 0.249 185 D N -1.331 119.069 120.400 0.001 0.000 2.514 185 D HA 0.197 4.837 4.640 -0.000 0.000 0.225 185 D C -0.304 176.039 176.300 0.072 0.000 1.159 185 D CA -0.002 54.024 54.000 0.044 0.000 0.823 185 D CB 0.370 41.178 40.800 0.012 0.000 1.097 185 D HN 0.350 nan 8.370 nan 0.000 0.519 186 D N 1.519 121.996 120.400 0.128 0.000 2.349 186 D HA 0.288 4.928 4.640 -0.000 0.000 0.232 186 D C -0.650 175.767 176.300 0.195 0.000 1.071 186 D CA -0.507 53.581 54.000 0.148 0.000 0.832 186 D CB 2.442 43.444 40.800 0.336 0.000 1.086 186 D HN 0.078 nan 8.370 nan 0.000 0.504 187 L N 4.157 125.430 121.223 0.083 0.000 2.264 187 L HA 0.322 4.661 4.340 -0.000 0.000 0.289 187 L C -1.545 175.387 176.870 0.103 0.000 1.044 187 L CA -0.368 54.524 54.840 0.086 0.000 0.807 187 L CB 0.281 42.363 42.059 0.038 0.000 1.192 187 L HN 0.144 nan 8.230 nan 0.000 0.425 188 Y N 4.051 124.304 120.300 -0.078 0.000 2.377 188 Y HA 0.654 5.204 4.550 -0.000 0.000 0.339 188 Y C -0.254 175.639 175.900 -0.012 0.000 1.011 188 Y CA -1.195 56.858 58.100 -0.078 0.000 1.093 188 Y CB 1.952 40.294 38.460 -0.197 0.000 1.201 188 Y HN 0.239 nan 8.280 nan 0.000 0.455 189 V N 2.726 122.757 119.914 0.194 0.000 2.443 189 V HA 0.771 4.891 4.120 -0.000 0.000 0.293 189 V C 0.111 176.368 176.094 0.272 0.000 1.021 189 V CA -0.790 61.636 62.300 0.210 0.000 0.848 189 V CB 1.500 33.445 31.823 0.203 0.000 0.998 189 V HN 0.934 nan 8.190 nan 0.000 0.424 190 G N 2.841 111.747 108.800 0.176 0.000 2.448 190 G HA2 0.818 4.778 3.960 -0.000 0.000 0.324 190 G HA3 0.818 4.778 3.960 -0.000 0.000 0.324 190 G C -0.395 174.544 174.900 0.064 0.000 1.203 190 G CA 0.125 45.277 45.100 0.087 0.000 0.954 190 G HN 0.949 nan 8.290 nan 0.000 0.480 191 S N -0.127 115.541 115.700 -0.054 0.000 2.929 191 S HA 0.561 5.031 4.470 -0.000 0.000 0.311 191 S C -0.511 174.059 174.600 -0.050 0.000 1.213 191 S CA -0.499 57.695 58.200 -0.010 0.000 0.908 191 S CB 1.713 64.969 63.200 0.093 0.000 1.287 191 S HN 0.300 nan 8.310 nan 0.000 0.594 192 D N 0.148 120.543 120.400 -0.007 0.000 2.531 192 D HA 0.298 4.938 4.640 -0.000 0.000 0.263 192 D C 0.263 176.569 176.300 0.009 0.000 1.057 192 D CA 0.207 54.206 54.000 -0.001 0.000 0.909 192 D CB -0.153 40.656 40.800 0.015 0.000 1.236 192 D HN 0.460 nan 8.370 nan 0.000 0.494 193 L N 2.832 124.078 121.223 0.038 0.000 2.700 193 L HA -0.010 4.330 4.340 -0.000 0.000 0.272 193 L C 0.498 177.412 176.870 0.075 0.000 1.176 193 L CA 0.240 55.120 54.840 0.065 0.000 0.961 193 L CB -0.468 41.652 42.059 0.102 0.000 1.249 193 L HN -0.114 nan 8.230 nan 0.000 0.487 194 E N 2.983 123.219 120.200 0.059 0.000 3.142 194 E HA -0.223 4.127 4.350 -0.000 0.000 0.276 194 E C 1.564 178.231 176.600 0.112 0.000 0.887 194 E CA 0.493 56.931 56.400 0.064 0.000 0.975 194 E CB 0.426 30.159 29.700 0.055 0.000 0.937 194 E HN 0.695 nan 8.360 nan 0.000 0.516 195 I N 1.300 121.938 120.570 0.113 0.000 2.210 195 I HA -0.352 3.818 4.170 -0.000 0.000 0.249 195 I C 1.696 177.934 176.117 0.202 0.000 1.047 195 I CA 2.294 63.711 61.300 0.195 0.000 1.323 195 I CB -0.569 37.522 38.000 0.152 0.000 1.017 195 I HN 0.568 nan 8.210 nan 0.000 0.427 196 G N -0.253 108.624 108.800 0.128 0.000 2.464 196 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.214 196 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.214 196 G C 1.521 176.486 174.900 0.108 0.000 1.218 196 G CA 0.876 46.035 45.100 0.098 0.000 0.794 196 G HN 0.587 nan 8.290 nan 0.000 0.542 197 Q N -0.691 119.172 119.800 0.105 0.000 2.268 197 Q HA -0.249 4.091 4.340 -0.000 0.000 0.210 197 Q C 2.227 178.318 176.000 0.152 0.000 0.988 197 Q CA 1.684 57.548 55.803 0.102 0.000 0.883 197 Q CB -0.121 28.668 28.738 0.085 0.000 0.911 197 Q HN 0.738 nan 8.270 nan 0.000 0.430 198 H N 0.185 119.295 119.070 0.066 0.000 2.333 198 H HA -0.007 4.549 4.556 -0.000 0.000 0.302 198 H C 1.856 177.239 175.328 0.092 0.000 1.075 198 H CA 1.470 57.567 56.048 0.083 0.000 1.348 198 H CB 0.220 30.035 29.762 0.090 0.000 1.393 198 H HN 0.064 nan 8.280 nan 0.000 0.509 199 R N -0.218 120.300 120.500 0.030 0.000 2.112 199 R HA -0.176 4.164 4.340 -0.000 0.000 0.242 199 R C 2.472 178.755 176.300 -0.029 0.000 1.137 199 R CA 1.677 57.747 56.100 -0.049 0.000 0.944 199 R CB -1.482 28.829 30.300 0.018 0.000 0.857 199 R HN 0.438 nan 8.270 nan 0.000 0.435 200 T N 1.449 116.018 114.554 0.025 0.000 2.597 200 T HA -0.188 4.162 4.350 -0.000 0.000 0.267 200 T C 1.818 176.559 174.700 0.068 0.000 1.053 200 T CA 1.874 64.001 62.100 0.045 0.000 1.165 200 T CB -0.008 68.893 68.868 0.055 0.000 0.863 200 T HN 0.110 nan 8.240 nan 0.000 0.427 201 K N 0.676 121.128 120.400 0.086 0.000 2.113 201 K HA -0.023 4.297 4.320 -0.000 0.000 0.208 201 K C 2.229 178.946 176.600 0.196 0.000 1.047 201 K CA 1.335 57.727 56.287 0.175 0.000 0.928 201 K CB -0.686 31.920 32.500 0.176 0.000 0.716 201 K HN 0.551 nan 8.250 nan 0.000 0.446 202 I N 0.469 121.047 120.570 0.012 0.000 2.546 202 I HA -0.192 3.978 4.170 -0.000 0.000 0.255 202 I C 2.295 178.416 176.117 0.005 0.000 1.163 202 I CA 0.813 62.096 61.300 -0.028 0.000 1.457 202 I CB -0.118 37.787 38.000 -0.158 0.000 1.092 202 I HN 0.083 nan 8.210 nan 0.000 0.434 203 E N 1.475 121.690 120.200 0.024 0.000 2.076 203 E HA -0.160 4.190 4.350 -0.000 0.000 0.190 203 E C 1.956 178.598 176.600 0.069 0.000 0.979 203 E CA 1.255 57.674 56.400 0.032 0.000 0.807 203 E CB 0.022 29.739 29.700 0.029 0.000 0.761 203 E HN 0.406 nan 8.360 nan 0.000 0.454 204 E N 0.071 120.351 120.200 0.134 0.000 2.110 204 E HA -0.177 4.173 4.350 -0.000 0.000 0.193 204 E C 1.997 178.708 176.600 0.184 0.000 0.988 204 E CA 0.930 57.467 56.400 0.229 0.000 0.804 204 E CB -0.207 29.693 29.700 0.333 0.000 0.745 204 E HN 0.193 nan 8.360 nan 0.000 0.458 205 L N 1.607 122.841 121.223 0.017 0.000 1.989 205 L HA -0.191 4.149 4.340 -0.000 0.000 0.211 205 L C 2.235 178.965 176.870 -0.233 0.000 1.071 205 L CA 1.856 56.360 54.840 -0.561 0.000 0.749 205 L CB -0.497 41.344 42.059 -0.364 0.000 0.890 205 L HN -0.089 nan 8.230 nan 0.000 0.431 206 R N -1.128 119.327 120.500 -0.075 0.000 2.117 206 R HA -0.185 4.155 4.340 -0.000 0.000 0.243 206 R C 2.193 178.503 176.300 0.018 0.000 1.143 206 R CA 1.594 57.682 56.100 -0.018 0.000 0.968 206 R CB -0.083 30.222 30.300 0.008 0.000 0.863 206 R HN 0.519 nan 8.270 nan 0.000 0.444 207 Q N -1.176 118.656 119.800 0.053 0.000 2.172 207 Q HA -0.144 4.196 4.340 -0.000 0.000 0.200 207 Q C 1.773 177.863 176.000 0.149 0.000 0.964 207 Q CA 1.351 57.209 55.803 0.091 0.000 0.855 207 Q CB -0.346 28.457 28.738 0.108 0.000 0.918 207 Q HN 0.480 nan 8.270 nan 0.000 0.444 208 H N 0.813 119.915 119.070 0.054 0.000 2.307 208 H HA 0.050 4.606 4.556 -0.000 0.000 0.303 208 H C 1.943 177.421 175.328 0.250 0.000 1.073 208 H CA 1.297 57.436 56.048 0.152 0.000 1.338 208 H CB -0.299 29.475 29.762 0.021 0.000 1.389 208 H HN 0.085 nan 8.280 nan 0.000 0.503 209 L N -0.314 120.877 121.223 -0.054 0.000 2.013 209 L HA -0.194 4.146 4.340 -0.000 0.000 0.212 209 L C 2.452 179.375 176.870 0.088 0.000 1.073 209 L CA 1.340 56.148 54.840 -0.055 0.000 0.753 209 L CB -0.544 41.478 42.059 -0.062 0.000 0.890 209 L HN 0.310 nan 8.230 nan 0.000 0.432 210 L N -0.387 120.875 121.223 0.066 0.000 2.275 210 L HA -0.115 4.225 4.340 -0.000 0.000 0.215 210 L C 2.377 179.267 176.870 0.032 0.000 1.119 210 L CA 1.454 56.327 54.840 0.055 0.000 0.790 210 L CB -0.621 41.458 42.059 0.034 0.000 0.919 210 L HN 0.087 nan 8.230 nan 0.000 0.443 211 R N -1.166 119.347 120.500 0.022 0.000 2.339 211 R HA -0.082 4.258 4.340 -0.000 0.000 0.199 211 R C -0.188 175.834 176.300 -0.463 0.000 1.018 211 R CA 0.425 56.414 56.100 -0.185 0.000 1.036 211 R CB -0.543 29.655 30.300 -0.170 0.000 0.899 211 R HN 0.484 nan 8.270 nan 0.000 0.473 212 W N -0.757 120.492 121.300 -0.085 0.000 1.232 212 W HA 0.327 4.986 4.660 -0.000 0.000 0.294 212 W C 1.158 177.661 176.519 -0.027 0.000 0.854 212 W CA -0.071 57.235 57.345 -0.064 0.000 2.354 212 W CB 0.127 29.516 29.460 -0.119 0.000 1.496 212 W HN 0.172 nan 8.180 nan 0.000 0.511 213 G N 0.804 109.678 108.800 0.124 0.000 2.623 213 G HA2 -0.384 3.576 3.960 -0.000 0.000 0.241 213 G HA3 -0.384 3.576 3.960 -0.000 0.000 0.241 213 G C 0.470 175.435 174.900 0.108 0.000 1.114 213 G CA 0.536 45.699 45.100 0.105 0.000 0.682 213 G HN 0.222 nan 8.290 nan 0.000 0.524 214 L N 2.980 124.286 121.223 0.138 0.000 2.654 214 L HA 0.317 4.657 4.340 -0.000 0.000 0.271 214 L C 1.408 178.322 176.870 0.073 0.000 1.169 214 L CA 0.617 55.525 54.840 0.112 0.000 0.947 214 L CB -0.127 41.998 42.059 0.110 0.000 1.232 214 L HN 0.527 nan 8.230 nan 0.000 0.486 215 T N -0.378 114.208 114.554 0.053 0.000 2.912 215 T HA 0.607 4.957 4.350 -0.000 0.000 0.280 215 T C 0.075 174.796 174.700 0.035 0.000 0.989 215 T CA -0.714 61.408 62.100 0.036 0.000 0.995 215 T CB 1.991 70.872 68.868 0.021 0.000 1.077 215 T HN 0.476 nan 8.240 nan 0.000 0.531 216 T N 2.464 117.040 114.554 0.036 0.000 3.566 216 T HA 0.433 4.783 4.350 -0.000 0.000 0.330 216 T C -2.855 171.886 174.700 0.068 0.000 0.877 216 T CA -0.719 61.414 62.100 0.055 0.000 1.030 216 T CB 1.189 70.095 68.868 0.064 0.000 1.033 216 T HN 0.506 nan 8.240 nan 0.000 0.463 217 P HA 0.384 nan 4.420 nan 0.000 0.274 217 P C 0.420 177.808 177.300 0.146 0.000 1.237 217 P CA -0.335 62.812 63.100 0.077 0.000 0.793 217 P CB 0.920 32.659 31.700 0.064 0.000 0.977 218 D N 0.056 120.453 120.400 -0.005 0.000 2.423 218 D HA 0.030 4.670 4.640 -0.000 0.000 0.212 218 D C -0.016 176.189 176.300 -0.158 0.000 1.060 218 D CA 0.434 54.247 54.000 -0.310 0.000 0.872 218 D CB 0.490 41.096 40.800 -0.324 0.000 1.012 218 D HN 0.270 nan 8.370 nan 0.000 0.503 219 K N 1.284 121.677 120.400 -0.012 0.000 2.295 219 K HA 0.115 4.435 4.320 -0.000 0.000 0.270 219 K C 0.236 176.889 176.600 0.088 0.000 1.011 219 K CA -0.267 56.034 56.287 0.024 0.000 0.953 219 K CB 0.714 33.222 32.500 0.013 0.000 0.956 219 K HN -0.111 nan 8.250 nan 0.000 0.477 220 K N 2.088 122.534 120.400 0.077 0.000 4.166 220 K HA -0.309 4.011 4.320 -0.000 0.000 0.276 220 K C 0.037 176.711 176.600 0.124 0.000 0.808 220 K CA 0.533 56.871 56.287 0.084 0.000 0.717 220 K CB -1.052 31.478 32.500 0.050 0.000 1.774 220 K HN 0.636 nan 8.250 nan 0.000 0.427 221 H N -0.256 118.823 119.070 0.015 0.000 3.500 221 H HA 0.149 4.705 4.556 -0.000 0.000 0.231 221 H C 1.586 176.928 175.328 0.023 0.000 1.357 221 H CA 1.252 57.310 56.048 0.017 0.000 1.785 221 H CB 0.524 30.296 29.762 0.017 0.000 1.552 221 H HN 0.296 nan 8.280 nan 0.000 0.522 222 Q N -0.387 119.436 119.800 0.039 0.000 2.038 222 Q HA 0.101 4.441 4.340 -0.000 0.000 0.153 222 Q C -0.819 175.217 176.000 0.061 0.000 0.647 222 Q CA 0.103 55.911 55.803 0.009 0.000 0.898 222 Q CB 0.060 28.758 28.738 -0.067 0.000 1.111 222 Q HN 0.241 nan 8.270 nan 0.000 0.303 223 K N 2.021 122.509 120.400 0.146 0.000 2.320 223 K HA -0.217 4.103 4.320 -0.000 0.000 0.239 223 K C -0.986 175.523 176.600 -0.151 0.000 1.260 223 K CA 1.445 57.787 56.287 0.092 0.000 1.242 223 K CB -0.477 32.127 32.500 0.175 0.000 0.718 223 K HN 0.359 nan 8.250 nan 0.000 0.537 224 E N 3.604 123.476 120.200 -0.546 0.000 3.843 224 E HA 0.127 4.477 4.350 -0.000 0.000 0.189 224 E C -2.553 173.719 176.600 -0.546 0.000 1.013 224 E CA -1.488 54.670 56.400 -0.404 0.000 1.395 224 E CB 0.863 30.432 29.700 -0.219 0.000 1.136 224 E HN 0.440 nan 8.360 nan 0.000 0.444 225 P HA -0.060 nan 4.420 nan 0.000 0.255 225 P C -2.283 174.985 177.300 -0.053 0.000 1.161 225 P CA -0.291 62.595 63.100 -0.357 0.000 0.768 225 P CB -0.201 31.489 31.700 -0.015 0.000 0.746 226 P HA 0.051 nan 4.420 nan 0.000 0.268 226 P C -0.832 176.366 177.300 -0.169 0.000 1.204 226 P CA 0.300 63.198 63.100 -0.337 0.000 0.768 226 P CB 0.412 32.036 31.700 -0.126 0.000 0.842 227 F N 2.027 121.995 119.950 0.031 0.000 2.410 227 F HA 0.311 4.838 4.527 -0.000 0.000 0.349 227 F C 0.927 176.892 175.800 0.275 0.000 1.117 227 F CA -0.500 57.616 58.000 0.194 0.000 1.104 227 F CB 1.051 40.234 39.000 0.305 0.000 1.122 227 F HN 0.103 nan 8.300 nan 0.000 0.483 228 L N 4.094 125.597 121.223 0.467 0.000 2.259 228 L HA 0.227 4.567 4.340 -0.000 0.000 0.288 228 L C -1.287 175.924 176.870 0.570 0.000 1.051 228 L CA -0.330 54.765 54.840 0.424 0.000 0.824 228 L CB 0.459 42.688 42.059 0.282 0.000 1.206 228 L HN 0.680 nan 8.230 nan 0.000 0.429 229 W N 6.101 127.621 121.300 0.367 0.000 2.883 229 W HA 0.343 5.003 4.660 -0.000 0.000 0.335 229 W C 0.281 176.983 176.519 0.305 0.000 1.083 229 W CA -0.860 56.669 57.345 0.307 0.000 1.233 229 W CB 1.280 30.820 29.460 0.133 0.000 1.412 229 W HN 0.359 nan 8.180 nan 0.000 0.490 230 M N 4.330 123.699 119.600 -0.384 0.000 2.757 230 M HA -0.240 4.240 4.480 -0.000 0.000 0.166 230 M C 1.027 177.387 176.300 0.101 0.000 0.650 230 M CA 2.269 57.347 55.300 -0.369 0.000 0.561 230 M CB -2.068 29.855 32.600 -1.128 0.000 2.052 230 M HN 1.552 nan 8.290 nan 0.000 0.464 231 G N -0.814 108.088 108.800 0.170 0.000 2.207 231 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.216 231 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.216 231 G C -0.495 174.584 174.900 0.298 0.000 1.053 231 G CA 0.149 45.314 45.100 0.109 0.000 0.764 231 G HN 0.514 nan 8.290 nan 0.000 0.495 232 Y N -0.784 119.702 120.300 0.310 0.000 2.662 232 Y HA 0.730 5.280 4.550 -0.000 0.000 0.335 232 Y C 0.387 176.514 175.900 0.378 0.000 1.066 232 Y CA -1.180 57.157 58.100 0.394 0.000 1.116 232 Y CB 1.774 40.450 38.460 0.359 0.000 1.308 232 Y HN 0.103 nan 8.280 nan 0.000 0.502 233 E N 1.651 122.196 120.200 0.576 0.000 2.325 233 E HA 0.436 4.786 4.350 -0.000 0.000 0.248 233 E C -1.866 174.967 176.600 0.388 0.000 0.912 233 E CA -0.249 56.380 56.400 0.382 0.000 0.782 233 E CB 0.686 30.576 29.700 0.316 0.000 1.264 233 E HN 0.462 nan 8.360 nan 0.000 0.417 234 L N 5.186 126.620 121.223 0.352 0.000 2.262 234 L HA 0.432 4.772 4.340 -0.000 0.000 0.288 234 L C -0.010 177.003 176.870 0.239 0.000 1.035 234 L CA -0.651 54.422 54.840 0.389 0.000 0.820 234 L CB 0.562 42.874 42.059 0.421 0.000 1.204 234 L HN 0.444 nan 8.230 nan 0.000 0.424 235 H N 3.204 122.537 119.070 0.439 0.000 2.567 235 H HA 0.252 4.808 4.556 -0.000 0.000 0.345 235 H C -1.803 173.705 175.328 0.300 0.000 1.169 235 H CA -2.101 54.142 56.048 0.325 0.000 1.227 235 H CB 1.694 31.573 29.762 0.194 0.000 1.607 235 H HN 0.281 nan 8.280 nan 0.000 0.534 236 P HA -0.122 nan 4.420 nan 0.000 0.231 236 P C 0.326 177.710 177.300 0.140 0.000 1.154 236 P CA 1.373 64.625 63.100 0.254 0.000 0.762 236 P CB 0.327 32.145 31.700 0.197 0.000 0.790 237 D N -3.734 116.672 120.400 0.009 0.000 2.107 237 D HA -0.011 4.629 4.640 -0.000 0.000 0.458 237 D C 0.363 176.329 176.300 -0.556 0.000 0.958 237 D CA 0.098 53.906 54.000 -0.320 0.000 0.966 237 D CB 0.178 40.904 40.800 -0.122 0.000 1.526 237 D HN 0.214 nan 8.370 nan 0.000 0.505 238 K N 0.108 120.424 120.400 -0.141 0.000 2.313 238 K HA 0.663 4.983 4.320 -0.000 0.000 0.235 238 K C -0.672 176.139 176.600 0.352 0.000 1.035 238 K CA -0.998 55.290 56.287 0.001 0.000 0.868 238 K CB 2.392 34.925 32.500 0.055 0.000 1.232 238 K HN 0.212 nan 8.250 nan 0.000 0.459 239 W N -0.422 121.082 121.300 0.340 0.000 3.363 239 W HA 0.540 5.200 4.660 -0.000 0.000 0.306 239 W C -1.986 174.771 176.519 0.396 0.000 1.253 239 W CA -0.700 56.917 57.345 0.455 0.000 1.195 239 W CB 1.215 31.021 29.460 0.578 0.000 1.366 239 W HN 0.692 nan 8.180 nan 0.000 0.551 240 T N 1.230 116.109 114.554 0.543 0.000 2.693 240 T HA 0.375 4.725 4.350 -0.000 0.000 0.304 240 T C -0.137 174.847 174.700 0.474 0.000 1.471 240 T CA -0.481 61.758 62.100 0.232 0.000 0.993 240 T CB 1.330 70.241 68.868 0.071 0.000 1.554 240 T HN 0.765 nan 8.240 nan 0.000 0.496 241 V N 0.291 120.394 119.914 0.316 0.000 3.083 241 V HA 0.555 4.675 4.120 -0.000 0.000 0.306 241 V C 0.509 176.771 176.094 0.279 0.000 1.077 241 V CA -0.876 61.609 62.300 0.308 0.000 1.073 241 V CB 0.163 32.211 31.823 0.375 0.000 1.081 241 V HN 0.987 nan 8.190 nan 0.000 0.474 242 Q N 2.575 122.517 119.800 0.238 0.000 2.539 242 Q HA 0.245 4.585 4.340 -0.000 0.000 0.268 242 Q C -2.201 173.858 176.000 0.099 0.000 1.109 242 Q CA -1.089 54.790 55.803 0.125 0.000 0.968 242 Q CB -0.772 27.956 28.738 -0.017 0.000 1.309 242 Q HN 0.691 nan 8.270 nan 0.000 0.497 243 P HA 0.028 nan 4.420 nan 0.000 0.264 243 P C -0.752 176.556 177.300 0.015 0.000 1.229 243 P CA 0.291 63.427 63.100 0.059 0.000 0.780 243 P CB 0.253 31.984 31.700 0.053 0.000 0.808 244 I N 5.479 126.052 120.570 0.005 0.000 2.291 244 I HA 0.144 4.314 4.170 -0.000 0.000 0.290 244 I C 0.679 176.775 176.117 -0.035 0.000 1.050 244 I CA -0.670 60.609 61.300 -0.035 0.000 1.245 244 I CB 1.056 39.013 38.000 -0.071 0.000 1.405 244 I HN 0.110 nan 8.210 nan 0.000 0.478 245 V N 8.486 128.386 119.914 -0.022 0.000 2.398 245 V HA 0.464 4.584 4.120 -0.000 0.000 0.286 245 V C -0.257 175.842 176.094 0.008 0.000 1.026 245 V CA -0.608 61.689 62.300 -0.005 0.000 0.868 245 V CB 1.723 33.548 31.823 0.003 0.000 0.982 245 V HN 0.503 nan 8.190 nan 0.000 0.443 246 L N 9.655 130.892 121.223 0.023 0.000 2.315 246 L HA 0.441 4.781 4.340 -0.000 0.000 0.278 246 L C -1.746 175.193 176.870 0.116 0.000 1.088 246 L CA -1.645 53.232 54.840 0.061 0.000 0.899 246 L CB 0.752 42.834 42.059 0.040 0.000 1.277 246 L HN 0.559 nan 8.230 nan 0.000 0.431 247 P HA -0.099 nan 4.420 nan 0.000 0.268 247 P C -0.619 176.833 177.300 0.253 0.000 1.189 247 P CA 0.273 63.443 63.100 0.117 0.000 0.771 247 P CB 1.081 32.804 31.700 0.039 0.000 0.822 248 E N 1.351 121.646 120.200 0.158 0.000 2.256 248 E HA 0.414 4.764 4.350 -0.000 0.000 0.268 248 E C -0.802 175.863 176.600 0.108 0.000 0.877 248 E CA -0.855 55.704 56.400 0.266 0.000 0.757 248 E CB 1.335 31.136 29.700 0.169 0.000 1.183 248 E HN 0.189 nan 8.360 nan 0.000 0.418 249 K N 1.427 121.943 120.400 0.193 0.000 2.092 249 K HA 0.231 4.551 4.320 -0.000 0.000 0.252 249 K C -0.808 175.904 176.600 0.186 0.000 0.988 249 K CA -0.004 56.251 56.287 -0.053 0.000 0.837 249 K CB 1.048 33.192 32.500 -0.593 0.000 1.493 249 K HN 0.742 nan 8.250 nan 0.000 0.449 250 D N -1.343 119.097 120.400 0.066 0.000 2.525 250 D HA 0.054 4.694 4.640 -0.000 0.000 0.231 250 D C -0.683 175.702 176.300 0.141 0.000 1.216 250 D CA -0.102 53.987 54.000 0.149 0.000 0.813 250 D CB 0.465 41.306 40.800 0.068 0.000 1.108 250 D HN 0.274 nan 8.370 nan 0.000 0.524 251 S N -0.280 115.427 115.700 0.012 0.000 2.736 251 S HA 0.600 5.070 4.470 -0.000 0.000 0.285 251 S C -1.467 173.014 174.600 -0.198 0.000 1.163 251 S CA -0.786 57.413 58.200 -0.002 0.000 1.025 251 S CB 0.529 63.693 63.200 -0.060 0.000 1.030 251 S HN 0.155 nan 8.310 nan 0.000 0.486 252 W N 1.166 122.463 121.300 -0.005 0.000 2.666 252 W HA 0.731 5.391 4.660 -0.000 0.000 0.334 252 W C 0.170 176.686 176.519 -0.005 0.000 1.051 252 W CA -0.388 56.954 57.345 -0.006 0.000 1.224 252 W CB 2.299 31.755 29.460 -0.006 0.000 1.405 252 W HN 0.645 nan 8.180 nan 0.000 0.513 253 T N 1.525 116.165 114.554 0.144 0.000 2.886 253 T HA 0.245 4.595 4.350 -0.000 0.000 0.292 253 T C 0.831 175.597 174.700 0.111 0.000 1.012 253 T CA -0.534 61.620 62.100 0.091 0.000 0.982 253 T CB 1.365 70.242 68.868 0.015 0.000 1.018 253 T HN 0.235 nan 8.240 nan 0.000 0.451 254 V N 4.501 124.469 119.914 0.091 0.000 2.265 254 V HA -0.307 3.813 4.120 -0.000 0.000 0.259 254 V C 2.768 178.906 176.094 0.074 0.000 1.084 254 V CA 2.559 64.906 62.300 0.079 0.000 1.076 254 V CB -0.728 31.124 31.823 0.049 0.000 0.680 254 V HN 0.910 nan 8.190 nan 0.000 0.452 255 N N 0.218 118.945 118.700 0.045 0.000 2.182 255 N HA -0.220 4.520 4.740 -0.000 0.000 0.192 255 N C 1.400 176.934 175.510 0.039 0.000 1.007 255 N CA 2.256 55.322 53.050 0.027 0.000 0.873 255 N CB -0.218 38.271 38.487 0.002 0.000 0.998 255 N HN 0.734 nan 8.380 nan 0.000 0.436 256 D N -0.222 120.218 120.400 0.067 0.000 2.323 256 D HA -0.010 4.630 4.640 -0.000 0.000 0.218 256 D C 2.013 178.488 176.300 0.293 0.000 0.973 256 D CA -0.149 53.914 54.000 0.105 0.000 0.890 256 D CB -0.303 40.459 40.800 -0.064 0.000 1.011 256 D HN 0.309 nan 8.370 nan 0.000 0.499 257 I N 0.962 121.737 120.570 0.341 0.000 2.454 257 I HA -0.276 3.894 4.170 -0.000 0.000 0.254 257 I C 2.084 178.278 176.117 0.129 0.000 1.156 257 I CA 1.103 62.567 61.300 0.273 0.000 1.433 257 I CB 0.143 38.249 38.000 0.177 0.000 1.082 257 I HN -0.084 nan 8.210 nan 0.000 0.432 258 Q N 0.424 120.288 119.800 0.105 0.000 1.984 258 Q HA -0.185 4.155 4.340 -0.000 0.000 0.196 258 Q C 2.137 178.174 176.000 0.060 0.000 0.975 258 Q CA 1.154 56.994 55.803 0.062 0.000 0.827 258 Q CB -0.263 28.503 28.738 0.046 0.000 0.894 258 Q HN 0.393 nan 8.270 nan 0.000 0.438 259 K N 0.569 121.006 120.400 0.062 0.000 2.228 259 K HA -0.208 4.112 4.320 -0.000 0.000 0.205 259 K C 2.062 178.699 176.600 0.061 0.000 1.045 259 K CA 0.960 57.273 56.287 0.043 0.000 0.931 259 K CB -0.183 32.337 32.500 0.033 0.000 0.727 259 K HN 0.083 nan 8.250 nan 0.000 0.458 260 L N 0.304 121.594 121.223 0.111 0.000 2.007 260 L HA -0.119 4.221 4.340 -0.000 0.000 0.205 260 L C 2.011 178.904 176.870 0.037 0.000 1.073 260 L CA 1.424 56.326 54.840 0.103 0.000 0.744 260 L CB -0.491 41.656 42.059 0.147 0.000 0.898 260 L HN -0.152 nan 8.230 nan 0.000 0.435 261 V N 0.535 120.465 119.914 0.027 0.000 2.295 261 V HA -0.206 3.914 4.120 -0.000 0.000 0.246 261 V C 2.623 178.736 176.094 0.032 0.000 1.049 261 V CA 1.855 64.162 62.300 0.012 0.000 1.024 261 V CB -1.704 30.124 31.823 0.008 0.000 0.648 261 V HN 0.650 nan 8.190 nan 0.000 0.447 262 G N -0.483 108.341 108.800 0.040 0.000 2.480 262 G HA2 -0.352 3.608 3.960 -0.000 0.000 0.216 262 G HA3 -0.352 3.608 3.960 -0.000 0.000 0.216 262 G C 1.604 176.551 174.900 0.079 0.000 1.200 262 G CA 1.128 46.263 45.100 0.058 0.000 0.782 262 G HN 0.480 nan 8.290 nan 0.000 0.554 263 K N -0.142 120.284 120.400 0.042 0.000 2.286 263 K HA 0.026 4.346 4.320 -0.000 0.000 0.203 263 K C 2.356 178.996 176.600 0.067 0.000 1.045 263 K CA 0.750 57.058 56.287 0.034 0.000 0.935 263 K CB -0.222 32.270 32.500 -0.013 0.000 0.737 263 K HN 0.354 nan 8.250 nan 0.000 0.460 264 L N 0.456 121.707 121.223 0.048 0.000 2.313 264 L HA -0.098 4.242 4.340 -0.000 0.000 0.214 264 L C 1.684 178.588 176.870 0.057 0.000 1.119 264 L CA 0.348 55.204 54.840 0.027 0.000 0.809 264 L CB -0.182 41.879 42.059 0.002 0.000 0.933 264 L HN 0.244 nan 8.230 nan 0.000 0.449 265 N N -0.660 118.096 118.700 0.094 0.000 2.197 265 N HA -0.203 4.537 4.740 -0.000 0.000 0.184 265 N C 1.555 177.141 175.510 0.127 0.000 1.030 265 N CA 0.868 53.977 53.050 0.098 0.000 0.851 265 N CB -0.435 38.112 38.487 0.100 0.000 1.003 265 N HN 0.387 nan 8.380 nan 0.000 0.430 266 W N 2.540 123.832 121.300 -0.015 0.000 2.296 266 W HA -0.216 4.444 4.660 -0.000 0.000 0.296 266 W C 1.728 178.243 176.519 -0.008 0.000 1.220 266 W CA 2.138 59.465 57.345 -0.031 0.000 1.223 266 W CB -0.221 29.198 29.460 -0.069 0.000 1.139 266 W HN 0.046 nan 8.180 nan 0.000 0.534 267 A N -0.496 122.433 122.820 0.182 0.000 2.014 267 A HA -0.123 4.197 4.320 -0.000 0.000 0.218 267 A C 2.017 179.699 177.584 0.164 0.000 1.163 267 A CA 1.575 53.673 52.037 0.102 0.000 0.652 267 A CB -1.081 17.843 19.000 -0.127 0.000 0.808 267 A HN 0.216 nan 8.150 nan 0.000 0.449 268 S N -0.416 115.342 115.700 0.097 0.000 2.465 268 S HA -0.203 4.267 4.470 -0.000 0.000 0.241 268 S C 1.957 176.601 174.600 0.072 0.000 1.000 268 S CA 1.351 59.602 58.200 0.085 0.000 0.964 268 S CB -0.449 62.779 63.200 0.046 0.000 0.763 268 S HN 0.690 nan 8.310 nan 0.000 0.512 269 Q N -0.709 119.136 119.800 0.074 0.000 2.197 269 Q HA -0.134 4.206 4.340 -0.000 0.000 0.207 269 Q C 1.537 177.705 176.000 0.280 0.000 0.984 269 Q CA 1.467 57.376 55.803 0.177 0.000 0.869 269 Q CB -0.051 28.799 28.738 0.185 0.000 0.906 269 Q HN 0.607 nan 8.270 nan 0.000 0.426 270 I N -2.597 118.084 120.570 0.184 0.000 4.983 270 I HA 0.068 4.238 4.170 -0.000 0.000 0.346 270 I C -0.900 175.152 176.117 -0.109 0.000 1.261 270 I CA -0.145 61.156 61.300 0.002 0.000 1.406 270 I CB 0.808 38.652 38.000 -0.260 0.000 1.529 270 I HN -0.134 nan 8.210 nan 0.000 0.524 271 Y N 3.738 124.018 120.300 -0.032 0.000 2.436 271 Y HA 0.449 4.999 4.550 -0.000 0.000 0.343 271 Y C -1.903 173.982 175.900 -0.025 0.000 1.008 271 Y CA -2.383 55.702 58.100 -0.025 0.000 1.241 271 Y CB -0.250 38.209 38.460 -0.003 0.000 1.153 271 Y HN 0.076 nan 8.280 nan 0.000 0.521 272 P HA -0.076 nan 4.420 nan 0.000 0.276 272 P C 0.831 178.164 177.300 0.056 0.000 1.264 272 P CA 0.815 63.927 63.100 0.020 0.000 0.815 272 P CB 0.497 32.193 31.700 -0.006 0.000 1.121 273 G N -0.339 108.485 108.800 0.039 0.000 2.437 273 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.349 273 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.349 273 G C 0.399 175.325 174.900 0.044 0.000 0.829 273 G CA 0.239 45.364 45.100 0.040 0.000 0.758 273 G HN 0.424 nan 8.290 nan 0.000 0.506 274 I N 0.140 120.745 120.570 0.058 0.000 2.683 274 I HA 0.080 4.250 4.170 -0.000 0.000 0.286 274 I C 0.954 177.091 176.117 0.032 0.000 1.175 274 I CA 0.571 61.899 61.300 0.046 0.000 1.429 274 I CB 0.457 38.489 38.000 0.053 0.000 1.371 274 I HN 0.166 nan 8.210 nan 0.000 0.569 275 K N 5.263 125.672 120.400 0.015 0.000 2.211 275 K HA 0.637 4.957 4.320 -0.000 0.000 0.237 275 K C -0.155 176.444 176.600 -0.002 0.000 1.002 275 K CA -0.810 55.482 56.287 0.007 0.000 0.885 275 K CB 2.257 34.753 32.500 -0.006 0.000 1.136 275 K HN 0.323 nan 8.250 nan 0.000 0.448 276 V N 0.186 120.096 119.914 -0.006 0.000 3.777 276 V HA -0.016 4.104 4.120 -0.000 0.000 0.285 276 V C 1.229 177.310 176.094 -0.021 0.000 1.668 276 V CA -0.100 62.191 62.300 -0.015 0.000 1.178 276 V CB 0.580 32.402 31.823 -0.002 0.000 0.962 276 V HN 0.635 nan 8.190 nan 0.000 0.411 277 R N 1.570 122.060 120.500 -0.018 0.000 2.177 277 R HA -0.159 4.180 4.340 -0.000 0.000 0.221 277 R C 2.290 178.572 176.300 -0.031 0.000 1.110 277 R CA 2.352 58.440 56.100 -0.021 0.000 0.875 277 R CB -0.596 29.694 30.300 -0.015 0.000 0.810 277 R HN 0.384 nan 8.270 nan 0.000 0.437 278 Q N 0.267 120.045 119.800 -0.036 0.000 2.182 278 Q HA -0.251 4.089 4.340 -0.000 0.000 0.213 278 Q C 2.299 178.263 176.000 -0.060 0.000 1.000 278 Q CA 2.060 57.835 55.803 -0.046 0.000 0.889 278 Q CB -0.697 28.011 28.738 -0.050 0.000 0.932 278 Q HN 0.459 nan 8.270 nan 0.000 0.415 279 L N 0.659 121.840 121.223 -0.070 0.000 2.056 279 L HA -0.154 4.186 4.340 -0.000 0.000 0.207 279 L C 2.049 178.874 176.870 -0.076 0.000 1.078 279 L CA 1.692 56.474 54.840 -0.097 0.000 0.749 279 L CB -0.140 41.855 42.059 -0.106 0.000 0.901 279 L HN 0.249 nan 8.230 nan 0.000 0.433 280 S N -1.879 113.792 115.700 -0.048 0.000 2.575 280 S HA -0.067 4.403 4.470 -0.000 0.000 0.215 280 S C 1.669 176.255 174.600 -0.023 0.000 0.966 280 S CA 0.002 58.184 58.200 -0.029 0.000 0.911 280 S CB -0.053 63.138 63.200 -0.016 0.000 0.780 280 S HN 0.368 nan 8.310 nan 0.000 0.514 281 K N 1.499 121.882 120.400 -0.029 0.000 2.362 281 K HA 0.066 4.386 4.320 -0.000 0.000 0.200 281 K C 1.501 178.089 176.600 -0.021 0.000 1.046 281 K CA 0.734 57.007 56.287 -0.024 0.000 0.952 281 K CB -0.249 32.234 32.500 -0.028 0.000 0.753 281 K HN 0.433 nan 8.250 nan 0.000 0.466 282 L N 0.291 121.499 121.223 -0.025 0.000 2.071 282 L HA -0.072 4.268 4.340 -0.000 0.000 0.201 282 L C 2.157 179.026 176.870 -0.003 0.000 1.076 282 L CA 0.169 54.998 54.840 -0.017 0.000 0.755 282 L CB -0.573 41.468 42.059 -0.029 0.000 0.915 282 L HN 0.183 nan 8.230 nan 0.000 0.445 283 L N 0.908 122.131 121.223 0.000 0.000 2.651 283 L HA -0.121 4.219 4.340 -0.000 0.000 0.236 283 L C 1.647 178.522 176.870 0.009 0.000 1.173 283 L CA 1.148 55.996 54.840 0.013 0.000 0.843 283 L CB -1.002 41.067 42.059 0.017 0.000 0.964 283 L HN 0.086 nan 8.230 nan 0.000 0.454 284 R N 0.212 120.713 120.500 0.002 0.000 4.576 284 R HA 0.354 4.694 4.340 -0.000 0.000 0.185 284 R C 0.171 176.472 176.300 0.002 0.000 1.837 284 R CA 0.433 56.533 56.100 0.000 0.000 1.520 284 R CB -0.795 29.501 30.300 -0.005 0.000 1.403 284 R HN 0.503 nan 8.270 nan 0.000 0.831 285 G N -0.617 108.187 108.800 0.007 0.000 2.911 285 G HA2 0.219 4.179 3.960 -0.000 0.000 0.299 285 G HA3 0.219 4.179 3.960 -0.000 0.000 0.299 285 G C -1.001 173.905 174.900 0.009 0.000 1.283 285 G CA -0.473 44.632 45.100 0.008 0.000 0.805 285 G HN 0.195 nan 8.290 nan 0.000 0.548 286 T N 0.228 114.788 114.554 0.010 0.000 2.849 286 T HA 0.350 4.700 4.350 -0.000 0.000 0.284 286 T C 0.361 175.068 174.700 0.012 0.000 1.004 286 T CA -0.065 62.041 62.100 0.010 0.000 1.021 286 T CB 1.065 69.939 68.868 0.009 0.000 1.013 286 T HN 0.425 nan 8.240 nan 0.000 0.527 287 K N 2.024 122.431 120.400 0.011 0.000 2.166 287 K HA 0.388 4.708 4.320 -0.000 0.000 0.273 287 K C -0.721 175.886 176.600 0.012 0.000 1.095 287 K CA -0.106 56.188 56.287 0.012 0.000 0.985 287 K CB -0.691 31.815 32.500 0.010 0.000 1.172 287 K HN 0.591 nan 8.250 nan 0.000 0.401 288 A N 5.572 128.401 122.820 0.015 0.000 2.310 288 A HA 0.351 4.671 4.320 -0.000 0.000 0.304 288 A C 0.446 178.041 177.584 0.018 0.000 1.231 288 A CA -0.726 51.321 52.037 0.016 0.000 0.799 288 A CB 0.390 19.402 19.000 0.019 0.000 1.162 288 A HN 0.742 nan 8.150 nan 0.000 0.486 289 L N 1.105 122.336 121.223 0.014 0.000 2.341 289 L HA 0.051 4.391 4.340 -0.000 0.000 0.214 289 L C 1.087 177.965 176.870 0.013 0.000 1.115 289 L CA 1.089 55.936 54.840 0.013 0.000 0.820 289 L CB -0.041 42.023 42.059 0.008 0.000 0.944 289 L HN 0.685 nan 8.230 nan 0.000 0.452 290 T N -1.881 112.680 114.554 0.012 0.000 3.262 290 T HA 0.046 4.396 4.350 -0.000 0.000 0.300 290 T C 0.361 175.069 174.700 0.014 0.000 0.959 290 T CA -0.336 61.769 62.100 0.008 0.000 0.936 290 T CB 0.534 69.402 68.868 -0.001 0.000 1.169 290 T HN 0.165 nan 8.240 nan 0.000 0.532 291 E N 2.138 122.350 120.200 0.020 0.000 2.502 291 E HA 0.025 4.375 4.350 -0.000 0.000 0.261 291 E C -0.300 176.320 176.600 0.033 0.000 0.974 291 E CA 0.063 56.477 56.400 0.024 0.000 0.936 291 E CB 0.603 30.318 29.700 0.025 0.000 0.926 291 E HN 0.028 nan 8.360 nan 0.000 0.459 292 V N 7.141 127.074 119.914 0.031 0.000 2.359 292 V HA 0.020 4.140 4.120 -0.000 0.000 0.248 292 V C 0.071 176.201 176.094 0.059 0.000 1.091 292 V CA 0.197 62.523 62.300 0.043 0.000 1.103 292 V CB -0.695 31.147 31.823 0.032 0.000 1.176 292 V HN 0.437 nan 8.190 nan 0.000 0.488 293 I N 8.620 129.242 120.570 0.087 0.000 2.291 293 I HA 0.303 4.473 4.170 -0.000 0.000 0.292 293 I C -1.825 174.362 176.117 0.118 0.000 1.064 293 I CA -1.874 59.478 61.300 0.088 0.000 1.269 293 I CB 1.097 39.149 38.000 0.087 0.000 1.418 293 I HN 0.385 nan 8.210 nan 0.000 0.485 294 P HA 0.192 nan 4.420 nan 0.000 0.287 294 P C -0.268 177.050 177.300 0.030 0.000 1.307 294 P CA -0.438 62.709 63.100 0.078 0.000 0.777 294 P CB 0.722 32.454 31.700 0.053 0.000 0.883 295 L N 3.445 124.669 121.223 0.002 0.000 2.615 295 L HA -0.022 4.318 4.340 -0.000 0.000 0.284 295 L C 1.637 178.474 176.870 -0.055 0.000 1.237 295 L CA 0.689 55.474 54.840 -0.092 0.000 0.905 295 L CB -0.350 41.590 42.059 -0.198 0.000 1.149 295 L HN 0.475 nan 8.230 nan 0.000 0.499 296 T N -0.633 113.885 114.554 -0.060 0.000 2.810 296 T HA 0.169 4.519 4.350 -0.000 0.000 0.277 296 T C 0.991 175.661 174.700 -0.050 0.000 0.973 296 T CA -0.845 61.230 62.100 -0.042 0.000 0.949 296 T CB 1.027 69.873 68.868 -0.037 0.000 1.075 296 T HN 0.504 nan 8.240 nan 0.000 0.537 297 E N 0.504 120.681 120.200 -0.037 0.000 2.097 297 E HA -0.119 4.231 4.350 -0.000 0.000 0.196 297 E C 2.047 178.620 176.600 -0.045 0.000 1.000 297 E CA 1.508 57.886 56.400 -0.036 0.000 0.804 297 E CB -0.371 29.313 29.700 -0.027 0.000 0.740 297 E HN 0.714 nan 8.360 nan 0.000 0.454 298 E N 0.392 120.564 120.200 -0.048 0.000 2.051 298 E HA 0.023 4.373 4.350 -0.000 0.000 0.189 298 E C 1.980 178.539 176.600 -0.069 0.000 0.979 298 E CA 1.090 57.459 56.400 -0.051 0.000 0.803 298 E CB -0.691 28.982 29.700 -0.046 0.000 0.761 298 E HN 0.256 nan 8.360 nan 0.000 0.451 299 A N 1.335 124.104 122.820 -0.085 0.000 1.896 299 A HA -0.363 3.957 4.320 -0.000 0.000 0.220 299 A C 2.218 179.719 177.584 -0.137 0.000 1.206 299 A CA 2.300 54.263 52.037 -0.124 0.000 0.647 299 A CB -0.763 18.144 19.000 -0.155 0.000 0.828 299 A HN 0.261 nan 8.150 nan 0.000 0.455 300 E N -0.431 119.697 120.200 -0.120 0.000 2.013 300 E HA -0.202 4.148 4.350 -0.000 0.000 0.202 300 E C 1.839 178.391 176.600 -0.080 0.000 1.018 300 E CA 1.541 57.877 56.400 -0.106 0.000 0.834 300 E CB -0.627 29.030 29.700 -0.071 0.000 0.770 300 E HN 0.401 nan 8.360 nan 0.000 0.459 301 L N 1.372 122.560 121.223 -0.059 0.000 2.034 301 L HA -0.281 4.059 4.340 -0.000 0.000 0.217 301 L C 2.291 179.132 176.870 -0.048 0.000 1.077 301 L CA 2.830 57.643 54.840 -0.044 0.000 0.769 301 L CB -1.006 41.031 42.059 -0.037 0.000 0.890 301 L HN 0.453 nan 8.230 nan 0.000 0.435 302 E N -1.037 119.128 120.200 -0.058 0.000 2.031 302 E HA -0.266 4.084 4.350 -0.000 0.000 0.193 302 E C 2.222 178.783 176.600 -0.065 0.000 0.994 302 E CA 1.448 57.814 56.400 -0.057 0.000 0.800 302 E CB -0.364 29.299 29.700 -0.062 0.000 0.752 302 E HN 0.451 nan 8.360 nan 0.000 0.447 303 L N 0.930 122.096 121.223 -0.095 0.000 2.127 303 L HA -0.130 4.210 4.340 -0.000 0.000 0.211 303 L C 2.165 178.995 176.870 -0.066 0.000 1.089 303 L CA 2.124 56.901 54.840 -0.106 0.000 0.757 303 L CB -0.779 41.175 42.059 -0.174 0.000 0.899 303 L HN 0.234 nan 8.230 nan 0.000 0.434 304 A N -0.305 122.482 122.820 -0.054 0.000 1.851 304 A HA -0.246 4.074 4.320 -0.000 0.000 0.216 304 A C 2.098 179.671 177.584 -0.019 0.000 1.195 304 A CA 1.924 53.943 52.037 -0.031 0.000 0.622 304 A CB -0.770 18.215 19.000 -0.026 0.000 0.831 304 A HN 0.633 nan 8.150 nan 0.000 0.444 305 E N 0.020 120.209 120.200 -0.019 0.000 2.265 305 E HA -0.145 4.205 4.350 -0.000 0.000 0.196 305 E C 1.300 177.899 176.600 -0.001 0.000 0.996 305 E CA 0.804 57.199 56.400 -0.008 0.000 0.832 305 E CB -0.277 29.417 29.700 -0.010 0.000 0.756 305 E HN 0.540 nan 8.360 nan 0.000 0.491 306 N N 0.688 119.379 118.700 -0.014 0.000 2.457 306 N HA -0.040 4.700 4.740 -0.000 0.000 0.180 306 N C 1.560 177.061 175.510 -0.014 0.000 1.050 306 N CA 0.483 53.524 53.050 -0.014 0.000 0.906 306 N CB 0.177 38.644 38.487 -0.033 0.000 0.968 306 N HN 0.219 nan 8.380 nan 0.000 0.445 307 R N 0.862 121.357 120.500 -0.008 0.000 2.052 307 R HA 0.003 4.343 4.340 -0.000 0.000 0.224 307 R C 1.779 178.092 176.300 0.021 0.000 1.149 307 R CA 0.461 56.561 56.100 0.000 0.000 0.962 307 R CB -0.726 29.576 30.300 0.002 0.000 0.856 307 R HN 0.043 nan 8.270 nan 0.000 0.433 308 E N 1.349 121.562 120.200 0.021 0.000 2.169 308 E HA -0.184 4.166 4.350 -0.000 0.000 0.202 308 E C 1.786 178.418 176.600 0.053 0.000 1.016 308 E CA 1.369 57.787 56.400 0.031 0.000 0.817 308 E CB -0.244 29.469 29.700 0.022 0.000 0.736 308 E HN 0.301 nan 8.360 nan 0.000 0.462 309 I N -1.051 119.556 120.570 0.063 0.000 2.201 309 I HA -0.197 3.973 4.170 -0.000 0.000 0.233 309 I C 2.124 178.352 176.117 0.185 0.000 1.067 309 I CA 0.455 61.826 61.300 0.119 0.000 1.354 309 I CB -0.342 37.729 38.000 0.118 0.000 1.108 309 I HN 0.131 nan 8.210 nan 0.000 0.411 310 L N 1.517 122.788 121.223 0.081 0.000 2.197 310 L HA -0.274 4.066 4.340 -0.000 0.000 0.215 310 L C 2.350 179.258 176.870 0.064 0.000 1.095 310 L CA 1.781 56.577 54.840 -0.073 0.000 0.764 310 L CB -0.843 41.094 42.059 -0.203 0.000 0.897 310 L HN 0.191 nan 8.230 nan 0.000 0.436 311 K N 0.783 121.229 120.400 0.078 0.000 1.969 311 K HA -0.210 4.110 4.320 -0.000 0.000 0.223 311 K C 0.297 176.972 176.600 0.125 0.000 1.048 311 K CA 1.633 57.967 56.287 0.078 0.000 0.983 311 K CB -0.553 31.983 32.500 0.059 0.000 0.738 311 K HN 0.549 nan 8.250 nan 0.000 0.446 312 E N 3.787 124.064 120.200 0.128 0.000 2.603 312 E HA 0.030 4.380 4.350 -0.000 0.000 0.242 312 E C -2.158 174.548 176.600 0.176 0.000 1.083 312 E CA -1.407 55.063 56.400 0.117 0.000 0.950 312 E CB -0.128 29.622 29.700 0.083 0.000 0.952 312 E HN 0.268 nan 8.360 nan 0.000 0.498 313 P HA -0.014 nan 4.420 nan 0.000 0.270 313 P C -0.399 176.894 177.300 -0.013 0.000 1.223 313 P CA -0.245 62.954 63.100 0.164 0.000 0.785 313 P CB 0.999 32.775 31.700 0.127 0.000 0.923 314 V N 0.960 120.766 119.914 -0.180 0.000 3.040 314 V HA 0.453 4.573 4.120 -0.000 0.000 0.312 314 V C -0.007 175.980 176.094 -0.179 0.000 1.115 314 V CA -0.805 61.323 62.300 -0.287 0.000 0.998 314 V CB 1.616 32.999 31.823 -0.734 0.000 1.042 314 V HN 0.871 nan 8.190 nan 0.000 0.433 315 H N -0.313 118.589 119.070 -0.281 0.000 2.737 315 H HA 0.920 5.476 4.556 -0.000 0.000 0.358 315 H C -0.199 174.888 175.328 -0.402 0.000 1.187 315 H CA -0.712 55.169 56.048 -0.278 0.000 1.221 315 H CB 2.216 31.873 29.762 -0.175 0.000 1.799 315 H HN 0.950 nan 8.280 nan 0.000 0.568 316 G N 0.702 109.132 108.800 -0.616 0.000 2.643 316 G HA2 0.456 4.416 3.960 -0.000 0.000 0.305 316 G HA3 0.456 4.416 3.960 -0.000 0.000 0.305 316 G C -1.254 173.565 174.900 -0.134 0.000 1.387 316 G CA -0.622 44.028 45.100 -0.750 0.000 0.982 316 G HN 0.583 nan 8.290 nan 0.000 0.501 317 V N 2.143 122.119 119.914 0.103 0.000 3.134 317 V HA 0.568 4.688 4.120 -0.000 0.000 0.313 317 V C -0.269 176.187 176.094 0.603 0.000 1.069 317 V CA -0.740 61.696 62.300 0.227 0.000 1.048 317 V CB 1.269 33.182 31.823 0.151 0.000 1.119 317 V HN 0.663 nan 8.190 nan 0.000 0.461 318 Y N 0.773 121.244 120.300 0.285 0.000 2.565 318 Y HA 0.357 4.907 4.550 -0.000 0.000 0.325 318 Y C -0.744 175.297 175.900 0.236 0.000 1.221 318 Y CA -0.939 57.333 58.100 0.288 0.000 1.316 318 Y CB 1.441 40.036 38.460 0.225 0.000 1.404 318 Y HN 0.596 nan 8.280 nan 0.000 0.527 319 Y N 1.690 122.150 120.300 0.265 0.000 2.313 319 Y HA 0.170 4.719 4.550 -0.000 0.000 0.332 319 Y C -0.795 175.152 175.900 0.079 0.000 1.071 319 Y CA -1.156 57.004 58.100 0.100 0.000 1.169 319 Y CB 0.918 39.458 38.460 0.133 0.000 1.192 319 Y HN 0.444 nan 8.280 nan 0.000 0.487 320 D N 7.916 127.970 120.400 -0.576 0.000 2.427 320 D HA 0.359 4.999 4.640 -0.000 0.000 0.226 320 D C -2.168 173.564 176.300 -0.948 0.000 1.076 320 D CA -2.553 51.147 54.000 -0.501 0.000 0.849 320 D CB 1.844 42.483 40.800 -0.268 0.000 1.052 320 D HN 0.312 nan 8.370 nan 0.000 0.515 321 P HA -0.124 nan 4.420 nan 0.000 0.220 321 P C 0.305 177.450 177.300 -0.258 0.000 1.144 321 P CA 0.918 63.758 63.100 -0.433 0.000 0.800 321 P CB 0.125 31.797 31.700 -0.047 0.000 0.772 322 S N -2.294 113.259 115.700 -0.245 0.000 2.618 322 S HA 0.273 4.743 4.470 -0.000 0.000 0.242 322 S C 0.339 174.853 174.600 -0.143 0.000 0.972 322 S CA -0.351 57.765 58.200 -0.140 0.000 1.004 322 S CB -0.451 62.692 63.200 -0.095 0.000 0.778 322 S HN 0.029 nan 8.310 nan 0.000 0.459 323 K N 2.731 123.008 120.400 -0.205 0.000 2.695 323 K HA 0.144 4.464 4.320 -0.000 0.000 0.255 323 K C -1.597 174.929 176.600 -0.124 0.000 1.016 323 K CA -0.603 55.595 56.287 -0.148 0.000 0.928 323 K CB 1.343 33.756 32.500 -0.145 0.000 1.235 323 K HN 0.319 nan 8.250 nan 0.000 0.467 324 D N 2.688 123.047 120.400 -0.069 0.000 2.749 324 D HA -0.175 4.465 4.640 -0.000 0.000 0.222 324 D C -0.014 176.231 176.300 -0.092 0.000 1.131 324 D CA 0.661 54.628 54.000 -0.055 0.000 0.845 324 D CB 0.595 41.365 40.800 -0.051 0.000 1.196 324 D HN 0.296 nan 8.370 nan 0.000 0.503 325 L N 0.817 121.961 121.223 -0.132 0.000 2.334 325 L HA 0.416 4.756 4.340 -0.000 0.000 0.277 325 L C 0.088 176.766 176.870 -0.319 0.000 1.075 325 L CA -1.019 53.658 54.840 -0.271 0.000 0.804 325 L CB 0.678 42.476 42.059 -0.435 0.000 1.174 325 L HN 0.309 nan 8.230 nan 0.000 0.438 326 I N 1.713 122.042 120.570 -0.401 0.000 2.846 326 I HA 0.809 4.979 4.170 -0.000 0.000 0.307 326 I C -0.222 175.444 176.117 -0.751 0.000 1.053 326 I CA -0.466 60.519 61.300 -0.525 0.000 1.050 326 I CB 2.050 39.767 38.000 -0.471 0.000 1.239 326 I HN 0.595 nan 8.210 nan 0.000 0.439 327 A N 3.071 125.467 122.820 -0.706 0.000 2.513 327 A HA 0.777 5.097 4.320 -0.000 0.000 0.296 327 A C -1.201 176.245 177.584 -0.231 0.000 1.052 327 A CA -0.583 51.140 52.037 -0.522 0.000 0.714 327 A CB 1.299 20.000 19.000 -0.498 0.000 1.279 327 A HN 0.666 nan 8.150 nan 0.000 0.397 328 E N 1.689 121.851 120.200 -0.064 0.000 2.238 328 E HA 0.545 4.895 4.350 -0.000 0.000 0.267 328 E C -1.089 175.657 176.600 0.242 0.000 0.887 328 E CA -0.835 55.640 56.400 0.126 0.000 0.769 328 E CB 2.070 31.859 29.700 0.148 0.000 1.187 328 E HN 0.515 nan 8.360 nan 0.000 0.416 329 I N 2.373 123.103 120.570 0.266 0.000 2.404 329 I HA 0.294 4.464 4.170 -0.000 0.000 0.293 329 I C -0.324 175.978 176.117 0.308 0.000 0.992 329 I CA -0.753 60.748 61.300 0.335 0.000 1.149 329 I CB 1.391 39.590 38.000 0.332 0.000 1.315 329 I HN 0.477 nan 8.210 nan 0.000 0.446 330 Q N 3.955 123.924 119.800 0.282 0.000 2.342 330 Q HA 0.409 4.749 4.340 -0.000 0.000 0.267 330 Q C -0.453 175.560 176.000 0.022 0.000 1.038 330 Q CA -0.639 55.247 55.803 0.139 0.000 0.832 330 Q CB 2.795 31.583 28.738 0.082 0.000 1.323 330 Q HN 0.342 nan 8.270 nan 0.000 0.448 331 K N 2.226 122.474 120.400 -0.254 0.000 2.253 331 K HA 0.176 4.496 4.320 -0.000 0.000 0.277 331 K C -0.192 176.124 176.600 -0.472 0.000 1.053 331 K CA 0.027 55.821 56.287 -0.822 0.000 0.892 331 K CB 0.764 32.504 32.500 -1.266 0.000 1.102 331 K HN 0.713 nan 8.250 nan 0.000 0.469 332 Q N 2.322 121.875 119.800 -0.411 0.000 2.403 332 Q HA 0.068 4.408 4.340 -0.000 0.000 0.203 332 Q C 0.897 176.773 176.000 -0.206 0.000 0.932 332 Q CA 0.574 56.248 55.803 -0.216 0.000 0.945 332 Q CB 0.477 29.144 28.738 -0.117 0.000 1.045 332 Q HN 1.132 nan 8.270 nan 0.000 0.511 333 G N 1.315 109.933 108.800 -0.304 0.000 2.659 333 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.212 333 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.212 333 G C 0.349 175.186 174.900 -0.104 0.000 1.226 333 G CA -0.137 44.855 45.100 -0.181 0.000 0.739 333 G HN 0.392 nan 8.290 nan 0.000 0.528 334 Q N 1.546 121.301 119.800 -0.075 0.000 3.247 334 Q HA 0.442 4.782 4.340 -0.000 0.000 0.326 334 Q C 1.408 177.428 176.000 0.032 0.000 1.402 334 Q CA 0.295 56.087 55.803 -0.019 0.000 0.994 334 Q CB 0.247 28.972 28.738 -0.023 0.000 1.647 334 Q HN 1.800 nan 8.270 nan 0.000 0.523 335 G N 1.516 110.375 108.800 0.098 0.000 2.200 335 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.268 335 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.268 335 G C 0.005 175.086 174.900 0.302 0.000 0.986 335 G CA 0.347 45.613 45.100 0.276 0.000 0.677 335 G HN 0.544 nan 8.290 nan 0.000 0.532 336 Q N -1.113 118.741 119.800 0.089 0.000 2.278 336 Q HA 0.545 4.885 4.340 -0.000 0.000 0.257 336 Q C -0.897 175.093 176.000 -0.017 0.000 0.928 336 Q CA -0.371 55.491 55.803 0.098 0.000 0.932 336 Q CB 1.104 29.852 28.738 0.016 0.000 1.221 336 Q HN 0.380 nan 8.270 nan 0.000 0.434 337 W N 1.175 122.575 121.300 0.166 0.000 2.781 337 W HA 0.357 5.017 4.660 -0.000 0.000 0.333 337 W C -0.475 176.187 176.519 0.238 0.000 1.047 337 W CA -0.321 57.150 57.345 0.209 0.000 1.236 337 W CB 2.064 31.691 29.460 0.277 0.000 1.394 337 W HN 0.319 nan 8.180 nan 0.000 0.466 338 T N 3.082 117.846 114.554 0.349 0.000 2.885 338 T HA 0.620 4.970 4.350 -0.000 0.000 0.285 338 T C -1.059 173.861 174.700 0.367 0.000 1.019 338 T CA -0.434 61.840 62.100 0.289 0.000 1.010 338 T CB 1.310 70.257 68.868 0.133 0.000 1.022 338 T HN 0.290 nan 8.240 nan 0.000 0.466 339 Y N 0.028 120.440 120.300 0.187 0.000 2.698 339 Y HA 0.854 5.404 4.550 -0.000 0.000 0.332 339 Y C -1.429 174.550 175.900 0.131 0.000 1.119 339 Y CA -1.542 56.657 58.100 0.165 0.000 1.109 339 Y CB 1.267 39.835 38.460 0.181 0.000 1.308 339 Y HN 0.497 nan 8.280 nan 0.000 0.499 340 Q N 0.759 120.704 119.800 0.243 0.000 2.468 340 Q HA 0.477 4.816 4.340 -0.000 0.000 0.263 340 Q C -2.163 173.908 176.000 0.119 0.000 0.979 340 Q CA -0.495 55.379 55.803 0.118 0.000 0.932 340 Q CB 2.437 31.236 28.738 0.103 0.000 1.462 340 Q HN 0.667 nan 8.270 nan 0.000 0.403 341 I N 3.276 123.915 120.570 0.115 0.000 2.312 341 I HA 0.430 4.600 4.170 -0.000 0.000 0.290 341 I C -0.993 175.078 176.117 -0.077 0.000 1.008 341 I CA -0.458 60.811 61.300 -0.053 0.000 1.226 341 I CB 0.164 38.193 38.000 0.048 0.000 1.371 341 I HN 0.557 nan 8.210 nan 0.000 0.468 342 Y N 3.447 123.687 120.300 -0.101 0.000 2.633 342 Y HA 0.727 5.277 4.550 -0.000 0.000 0.339 342 Y C 0.322 176.140 175.900 -0.136 0.000 1.045 342 Y CA -1.072 56.969 58.100 -0.099 0.000 1.098 342 Y CB 1.095 39.514 38.460 -0.069 0.000 1.296 342 Y HN 0.509 nan 8.280 nan 0.000 0.494 343 Q N -0.324 119.581 119.800 0.174 0.000 2.384 343 Q HA 0.284 4.624 4.340 -0.000 0.000 0.264 343 Q C -0.942 175.113 176.000 0.093 0.000 0.825 343 Q CA 0.179 56.021 55.803 0.065 0.000 0.984 343 Q CB 1.330 30.053 28.738 -0.025 0.000 1.183 343 Q HN 0.807 nan 8.270 nan 0.000 0.537 344 E N 1.390 121.641 120.200 0.085 0.000 2.283 344 E HA 0.139 4.489 4.350 -0.000 0.000 0.258 344 E C -2.176 174.384 176.600 -0.067 0.000 0.893 344 E CA -1.702 54.707 56.400 0.014 0.000 0.798 344 E CB 1.853 31.570 29.700 0.029 0.000 1.242 344 E HN -0.072 nan 8.360 nan 0.000 0.414 345 P HA -0.237 nan 4.420 nan 0.000 0.226 345 P C 0.435 177.518 177.300 -0.361 0.000 1.154 345 P CA 1.606 64.443 63.100 -0.438 0.000 0.901 345 P CB 0.082 31.620 31.700 -0.269 0.000 0.788 346 F N 0.705 120.579 119.950 -0.128 0.000 2.819 346 F HA 0.255 4.781 4.527 -0.000 0.000 0.294 346 F C 1.135 176.938 175.800 0.005 0.000 1.166 346 F CA -0.128 57.834 58.000 -0.064 0.000 1.374 346 F CB 0.033 39.003 39.000 -0.049 0.000 0.956 346 F HN 0.011 nan 8.300 nan 0.000 0.509 347 K N -1.362 119.076 120.400 0.064 0.000 2.660 347 K HA 0.404 4.724 4.320 -0.000 0.000 0.285 347 K C -1.708 174.874 176.600 -0.030 0.000 0.997 347 K CA -1.010 55.310 56.287 0.056 0.000 0.861 347 K CB 1.086 33.704 32.500 0.197 0.000 1.469 347 K HN -0.256 nan 8.250 nan 0.000 0.395 348 N N 0.469 119.085 118.700 -0.139 0.000 2.402 348 N HA 0.408 5.148 4.740 -0.000 0.000 0.294 348 N C -0.295 175.272 175.510 0.095 0.000 1.203 348 N CA -0.779 52.263 53.050 -0.015 0.000 0.838 348 N CB 1.807 40.266 38.487 -0.047 0.000 1.306 348 N HN 0.617 nan 8.380 nan 0.000 0.510 349 L N 0.612 121.965 121.223 0.216 0.000 2.269 349 L HA 0.364 4.704 4.340 -0.000 0.000 0.200 349 L C 0.236 177.462 176.870 0.594 0.000 1.069 349 L CA 1.454 56.534 54.840 0.401 0.000 0.804 349 L CB -0.017 42.196 42.059 0.258 0.000 0.987 349 L HN 0.676 nan 8.230 nan 0.000 0.468 350 K N -1.667 118.988 120.400 0.425 0.000 2.660 350 K HA 0.369 4.688 4.320 -0.000 0.000 0.285 350 K C -1.301 175.432 176.600 0.220 0.000 0.997 350 K CA 0.036 56.592 56.287 0.448 0.000 0.861 350 K CB 1.032 33.771 32.500 0.398 0.000 1.469 350 K HN 0.056 nan 8.250 nan 0.000 0.395 351 T N -1.028 113.589 114.554 0.105 0.000 2.858 351 T HA 0.938 5.288 4.350 -0.000 0.000 0.285 351 T C -0.041 174.435 174.700 -0.374 0.000 1.052 351 T CA -0.281 61.755 62.100 -0.106 0.000 1.009 351 T CB 1.925 70.749 68.868 -0.073 0.000 1.241 351 T HN 0.860 nan 8.240 nan 0.000 0.542 352 G N 0.078 108.403 108.800 -0.791 0.000 2.523 352 G HA2 0.607 4.567 3.960 -0.000 0.000 0.291 352 G HA3 0.607 4.567 3.960 -0.000 0.000 0.291 352 G C -1.996 172.583 174.900 -0.536 0.000 1.450 352 G CA -1.067 43.465 45.100 -0.947 0.000 0.790 352 G HN 0.985 nan 8.290 nan 0.000 0.496 353 K N -1.269 119.122 120.400 -0.015 0.000 2.443 353 K HA 0.811 5.131 4.320 -0.000 0.000 0.251 353 K C -1.990 174.869 176.600 0.432 0.000 0.972 353 K CA -1.194 55.241 56.287 0.246 0.000 0.833 353 K CB 2.929 35.511 32.500 0.137 0.000 1.317 353 K HN 0.778 nan 8.250 nan 0.000 0.441 354 Y N 0.374 120.865 120.300 0.319 0.000 2.401 354 Y HA 0.584 5.134 4.550 -0.000 0.000 0.330 354 Y C -2.142 173.913 175.900 0.258 0.000 1.071 354 Y CA -0.429 57.823 58.100 0.254 0.000 1.049 354 Y CB 2.091 40.675 38.460 0.207 0.000 1.239 354 Y HN 0.976 nan 8.280 nan 0.000 0.437 355 A N 5.971 128.425 122.820 -0.610 0.000 2.393 355 A HA 0.615 4.935 4.320 -0.000 0.000 0.306 355 A C -0.957 176.280 177.584 -0.577 0.000 1.050 355 A CA -1.068 50.755 52.037 -0.357 0.000 0.724 355 A CB 1.385 20.320 19.000 -0.109 0.000 1.248 355 A HN 0.732 nan 8.150 nan 0.000 0.424 356 R N 3.080 123.447 120.500 -0.222 0.000 3.206 356 R HA 0.101 4.441 4.340 -0.000 0.000 0.209 356 R C 0.488 176.759 176.300 -0.049 0.000 1.632 356 R CA 0.002 56.051 56.100 -0.085 0.000 1.234 356 R CB -0.471 29.896 30.300 0.113 0.000 1.270 356 R HN 0.892 nan 8.270 nan 0.000 0.665 357 M N 0.758 120.301 119.600 -0.095 0.000 2.446 357 M HA -0.132 4.348 4.480 -0.000 0.000 0.263 357 M C 0.855 177.152 176.300 -0.004 0.000 1.066 357 M CA 1.348 56.622 55.300 -0.044 0.000 1.087 357 M CB -0.133 32.438 32.600 -0.047 0.000 1.406 357 M HN 0.103 nan 8.290 nan 0.000 0.459 358 R N 1.173 121.684 120.500 0.019 0.000 2.924 358 R HA 0.065 4.405 4.340 -0.000 0.000 0.272 358 R C 1.308 177.631 176.300 0.038 0.000 1.012 358 R CA 0.585 56.712 56.100 0.045 0.000 1.171 358 R CB -1.169 29.180 30.300 0.081 0.000 1.086 358 R HN 0.318 nan 8.270 nan 0.000 0.489 359 G N 0.297 109.125 108.800 0.047 0.000 4.046 359 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.427 359 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.427 359 G C 0.783 175.676 174.900 -0.012 0.000 0.851 359 G CA 1.875 46.994 45.100 0.033 0.000 0.724 359 G HN 0.697 nan 8.290 nan 0.000 1.467 360 A N -3.074 119.717 122.820 -0.048 0.000 2.287 360 A HA 0.444 4.764 4.320 -0.000 0.000 0.214 360 A C 0.591 177.876 177.584 -0.497 0.000 1.228 360 A CA 0.303 52.186 52.037 -0.257 0.000 0.939 360 A CB 0.485 19.293 19.000 -0.320 0.000 0.992 360 A HN 0.572 nan 8.150 nan 0.000 0.502 361 H N -0.654 118.481 119.070 0.107 0.000 2.877 361 H HA 0.556 5.112 4.556 -0.000 0.000 0.347 361 H C -0.860 174.544 175.328 0.127 0.000 1.042 361 H CA -0.045 56.067 56.048 0.107 0.000 1.276 361 H CB 1.782 31.609 29.762 0.107 0.000 1.681 361 H HN 0.154 nan 8.280 nan 0.000 0.521 362 T N 1.462 116.158 114.554 0.237 0.000 2.572 362 T HA 0.315 4.665 4.350 -0.000 0.000 0.274 362 T C -0.735 174.074 174.700 0.182 0.000 0.949 362 T CA -0.913 61.310 62.100 0.204 0.000 1.126 362 T CB 2.035 71.010 68.868 0.178 0.000 1.478 362 T HN 0.566 nan 8.240 nan 0.000 0.492 363 N N -0.372 118.427 118.700 0.165 0.000 2.367 363 N HA 0.302 5.041 4.740 -0.000 0.000 0.278 363 N C -0.207 175.403 175.510 0.166 0.000 1.117 363 N CA -0.339 52.794 53.050 0.138 0.000 0.867 363 N CB 1.754 40.297 38.487 0.094 0.000 1.649 363 N HN 0.424 nan 8.380 nan 0.000 0.479 364 D N 1.124 121.671 120.400 0.245 0.000 2.178 364 D HA -0.096 4.544 4.640 -0.000 0.000 0.201 364 D C 1.546 177.959 176.300 0.188 0.000 0.980 364 D CA 1.179 55.432 54.000 0.423 0.000 0.842 364 D CB 0.359 41.477 40.800 0.529 0.000 0.948 364 D HN 0.272 nan 8.370 nan 0.000 0.472 365 V N 1.329 121.295 119.914 0.085 0.000 2.283 365 V HA -0.201 3.919 4.120 -0.000 0.000 0.243 365 V C 2.391 178.485 176.094 0.001 0.000 1.039 365 V CA 1.349 63.679 62.300 0.050 0.000 1.016 365 V CB -0.308 31.519 31.823 0.007 0.000 0.650 365 V HN 0.107 nan 8.190 nan 0.000 0.449 366 K N -0.073 120.335 120.400 0.013 0.000 2.001 366 K HA -0.294 4.026 4.320 -0.000 0.000 0.214 366 K C 2.302 178.804 176.600 -0.164 0.000 1.050 366 K CA 2.152 58.391 56.287 -0.080 0.000 0.934 366 K CB -0.345 32.135 32.500 -0.033 0.000 0.718 366 K HN 0.501 nan 8.250 nan 0.000 0.443 367 Q N 0.551 120.244 119.800 -0.179 0.000 2.030 367 Q HA -0.198 4.142 4.340 -0.000 0.000 0.204 367 Q C 2.195 177.695 176.000 -0.833 0.000 0.986 367 Q CA 1.385 56.961 55.803 -0.378 0.000 0.843 367 Q CB -0.295 28.284 28.738 -0.265 0.000 0.904 367 Q HN 0.191 nan 8.270 nan 0.000 0.420 368 L N 0.712 121.341 121.223 -0.990 0.000 2.137 368 L HA -0.240 4.100 4.340 -0.000 0.000 0.213 368 L C 1.877 178.364 176.870 -0.638 0.000 1.085 368 L CA 2.100 56.347 54.840 -0.989 0.000 0.760 368 L CB -0.824 40.935 42.059 -0.499 0.000 0.893 368 L HN 0.202 nan 8.230 nan 0.000 0.434 369 T N -0.800 113.489 114.554 -0.441 0.000 2.706 369 T HA -0.123 4.226 4.350 -0.000 0.000 0.255 369 T C 1.571 175.966 174.700 -0.508 0.000 1.048 369 T CA 1.229 63.096 62.100 -0.390 0.000 1.153 369 T CB -0.333 68.454 68.868 -0.134 0.000 0.865 369 T HN 0.457 nan 8.240 nan 0.000 0.414 370 E N 1.746 121.647 120.200 -0.497 0.000 2.136 370 E HA -0.280 4.070 4.350 -0.000 0.000 0.208 370 E C 2.501 178.506 176.600 -0.991 0.000 1.035 370 E CA 1.374 57.391 56.400 -0.638 0.000 0.838 370 E CB -0.407 28.946 29.700 -0.578 0.000 0.748 370 E HN 0.514 nan 8.360 nan 0.000 0.459 371 A N 1.155 123.280 122.820 -1.159 0.000 1.845 371 A HA -0.158 4.161 4.320 -0.000 0.000 0.215 371 A C 2.602 179.803 177.584 -0.637 0.000 1.195 371 A CA 1.573 53.077 52.037 -0.889 0.000 0.616 371 A CB -0.908 17.755 19.000 -0.562 0.000 0.832 371 A HN 0.142 nan 8.150 nan 0.000 0.443 372 V N 0.164 119.679 119.914 -0.666 0.000 2.439 372 V HA -0.326 3.794 4.120 -0.000 0.000 0.253 372 V C 2.741 178.428 176.094 -0.678 0.000 1.074 372 V CA 2.580 64.356 62.300 -0.874 0.000 1.076 372 V CB -0.793 30.435 31.823 -0.991 0.000 0.664 372 V HN 0.757 nan 8.190 nan 0.000 0.461 373 Q N 1.107 120.600 119.800 -0.512 0.000 1.984 373 Q HA -0.181 4.159 4.340 -0.000 0.000 0.196 373 Q C 2.170 178.021 176.000 -0.247 0.000 0.975 373 Q CA 2.216 57.821 55.803 -0.329 0.000 0.827 373 Q CB -0.517 28.056 28.738 -0.275 0.000 0.894 373 Q HN 0.590 nan 8.270 nan 0.000 0.438 374 K N -0.083 120.140 120.400 -0.295 0.000 2.127 374 K HA -0.229 4.091 4.320 -0.000 0.000 0.212 374 K C 1.635 178.142 176.600 -0.154 0.000 1.050 374 K CA 2.124 58.310 56.287 -0.168 0.000 0.929 374 K CB -0.666 31.762 32.500 -0.120 0.000 0.715 374 K HN 0.321 nan 8.250 nan 0.000 0.457 375 I N 1.114 121.520 120.570 -0.274 0.000 2.163 375 I HA -0.219 3.951 4.170 -0.000 0.000 0.240 375 I C 2.212 178.347 176.117 0.029 0.000 1.081 375 I CA 1.812 62.987 61.300 -0.209 0.000 1.353 375 I CB -0.797 37.106 38.000 -0.161 0.000 1.054 375 I HN 0.286 nan 8.210 nan 0.000 0.407 376 T N -0.167 114.442 114.554 0.092 0.000 2.635 376 T HA -0.234 4.116 4.350 -0.000 0.000 0.267 376 T C 1.898 176.625 174.700 0.046 0.000 1.040 376 T CA 2.275 64.452 62.100 0.128 0.000 1.156 376 T CB -0.724 68.196 68.868 0.087 0.000 0.863 376 T HN 0.362 nan 8.240 nan 0.000 0.430 377 T N 1.423 115.975 114.554 -0.003 0.000 2.737 377 T HA -0.159 4.191 4.350 -0.000 0.000 0.269 377 T C 1.917 176.591 174.700 -0.043 0.000 1.040 377 T CA 1.654 63.743 62.100 -0.018 0.000 1.142 377 T CB -0.289 68.565 68.868 -0.024 0.000 0.861 377 T HN 0.595 nan 8.240 nan 0.000 0.456 378 E N 0.630 120.803 120.200 -0.045 0.000 2.072 378 E HA -0.114 4.236 4.350 -0.000 0.000 0.191 378 E C 2.341 178.800 176.600 -0.234 0.000 0.985 378 E CA 1.220 57.551 56.400 -0.115 0.000 0.801 378 E CB -0.051 29.622 29.700 -0.044 0.000 0.750 378 E HN 0.369 nan 8.360 nan 0.000 0.452 379 S N 0.849 116.509 115.700 -0.067 0.000 2.351 379 S HA -0.196 4.274 4.470 -0.000 0.000 0.220 379 S C 1.991 176.544 174.600 -0.078 0.000 1.035 379 S CA 1.446 59.673 58.200 0.046 0.000 1.031 379 S CB -0.415 62.978 63.200 0.321 0.000 0.928 379 S HN 0.314 nan 8.310 nan 0.000 0.433 380 I N 1.433 121.985 120.570 -0.031 0.000 2.185 380 I HA -0.231 3.939 4.170 -0.000 0.000 0.246 380 I C 2.219 178.263 176.117 -0.120 0.000 1.088 380 I CA 1.133 62.405 61.300 -0.047 0.000 1.347 380 I CB -0.732 37.255 38.000 -0.021 0.000 1.041 380 I HN 0.165 nan 8.210 nan 0.000 0.415 381 V N 0.888 120.700 119.914 -0.171 0.000 2.261 381 V HA -0.262 3.858 4.120 -0.000 0.000 0.246 381 V C 2.302 178.203 176.094 -0.322 0.000 1.047 381 V CA 1.630 63.806 62.300 -0.207 0.000 1.015 381 V CB -0.437 31.265 31.823 -0.202 0.000 0.642 381 V HN 0.246 nan 8.190 nan 0.000 0.446 382 I N -0.880 119.360 120.570 -0.550 0.000 2.130 382 I HA -0.152 4.018 4.170 -0.000 0.000 0.232 382 I C 2.379 178.064 176.117 -0.720 0.000 1.064 382 I CA 1.804 62.601 61.300 -0.838 0.000 1.338 382 I CB -1.325 35.670 38.000 -1.675 0.000 1.084 382 I HN 0.418 nan 8.210 nan 0.000 0.404 383 W N 0.713 121.785 121.300 -0.381 0.000 2.905 383 W HA 0.264 4.924 4.660 -0.000 0.000 0.251 383 W C 1.531 177.831 176.519 -0.365 0.000 1.305 383 W CA 0.953 57.951 57.345 -0.578 0.000 1.465 383 W CB -0.967 27.985 29.460 -0.847 0.000 1.122 383 W HN 0.521 nan 8.180 nan 0.000 0.659 384 G N 1.860 110.615 108.800 -0.075 0.000 2.143 384 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.248 384 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.248 384 G C 0.187 175.097 174.900 0.016 0.000 0.991 384 G CA 0.777 45.858 45.100 -0.032 0.000 0.689 384 G HN 0.333 nan 8.290 nan 0.000 0.522 385 K N -1.317 119.111 120.400 0.046 0.000 2.597 385 K HA 0.631 4.951 4.320 -0.000 0.000 0.282 385 K C -0.742 175.902 176.600 0.074 0.000 0.975 385 K CA -0.335 55.987 56.287 0.059 0.000 0.867 385 K CB 0.939 33.480 32.500 0.067 0.000 1.465 385 K HN 0.499 nan 8.250 nan 0.000 0.417 386 T N 1.343 115.931 114.554 0.057 0.000 2.909 386 T HA 0.434 4.784 4.350 -0.000 0.000 0.289 386 T C -2.175 172.505 174.700 -0.034 0.000 1.005 386 T CA -1.204 60.926 62.100 0.050 0.000 1.084 386 T CB 0.653 69.572 68.868 0.084 0.000 0.975 386 T HN 0.508 nan 8.240 nan 0.000 0.509 387 P HA 0.373 nan 4.420 nan 0.000 0.282 387 P C -1.070 175.944 177.300 -0.476 0.000 1.259 387 P CA -0.803 62.068 63.100 -0.381 0.000 0.826 387 P CB 0.880 32.235 31.700 -0.575 0.000 1.064 388 K N 1.872 122.037 120.400 -0.391 0.000 2.285 388 K HA 0.300 4.620 4.320 -0.000 0.000 0.286 388 K C -0.106 176.284 176.600 -0.350 0.000 1.072 388 K CA -0.286 55.852 56.287 -0.248 0.000 0.913 388 K CB 0.110 32.527 32.500 -0.139 0.000 1.067 388 K HN 0.361 nan 8.250 nan 0.000 0.479 389 F N 1.935 121.846 119.950 -0.064 0.000 2.406 389 F HA 0.208 4.735 4.527 -0.000 0.000 0.327 389 F C 0.864 176.673 175.800 0.016 0.000 1.153 389 F CA 0.047 58.017 58.000 -0.049 0.000 1.218 389 F CB 0.751 39.713 39.000 -0.065 0.000 1.215 389 F HN 0.149 nan 8.300 nan 0.000 0.570 390 K N 3.489 124.019 120.400 0.218 0.000 2.640 390 K HA 0.539 4.859 4.320 -0.000 0.000 0.245 390 K C -1.656 175.083 176.600 0.230 0.000 0.962 390 K CA -0.412 55.985 56.287 0.184 0.000 0.896 390 K CB 1.604 34.170 32.500 0.110 0.000 1.147 390 K HN 0.453 nan 8.250 nan 0.000 0.445 391 L N 3.133 124.533 121.223 0.295 0.000 2.401 391 L HA 0.485 4.825 4.340 -0.000 0.000 0.266 391 L C -1.945 175.111 176.870 0.310 0.000 0.991 391 L CA -2.278 52.718 54.840 0.260 0.000 0.818 391 L CB 2.028 44.176 42.059 0.147 0.000 1.321 391 L HN 0.360 nan 8.230 nan 0.000 0.413 392 P HA 0.005 nan 4.420 nan 0.000 0.311 392 P C -0.413 177.156 177.300 0.448 0.000 1.543 392 P CA 0.995 64.268 63.100 0.290 0.000 0.766 392 P CB 0.057 31.903 31.700 0.242 0.000 1.711 393 I N -0.808 120.106 120.570 0.573 0.000 2.894 393 I HA 0.361 4.531 4.170 -0.000 0.000 0.302 393 I C -1.246 175.067 176.117 0.327 0.000 1.188 393 I CA -1.284 60.268 61.300 0.420 0.000 1.014 393 I CB 2.938 41.081 38.000 0.237 0.000 1.242 393 I HN -0.325 nan 8.210 nan 0.000 0.430 394 Q N 4.431 124.218 119.800 -0.022 0.000 2.257 394 Q HA 0.290 4.630 4.340 -0.000 0.000 0.255 394 Q C 0.490 176.587 176.000 0.163 0.000 0.920 394 Q CA -0.134 55.538 55.803 -0.219 0.000 0.927 394 Q CB 1.923 30.368 28.738 -0.488 0.000 1.229 394 Q HN 0.552 nan 8.270 nan 0.000 0.433 395 K N 2.434 123.016 120.400 0.303 0.000 2.148 395 K HA -0.320 4.000 4.320 -0.000 0.000 0.213 395 K C 1.252 178.064 176.600 0.353 0.000 1.050 395 K CA 2.364 58.969 56.287 0.531 0.000 0.932 395 K CB 0.119 32.722 32.500 0.173 0.000 0.717 395 K HN 0.826 nan 8.250 nan 0.000 0.462 396 E N -1.194 119.087 120.200 0.135 0.000 2.150 396 E HA -0.128 4.222 4.350 -0.000 0.000 0.193 396 E C 1.279 177.903 176.600 0.041 0.000 0.985 396 E CA 1.545 57.982 56.400 0.062 0.000 0.814 396 E CB 0.180 29.871 29.700 -0.015 0.000 0.752 396 E HN 0.394 nan 8.360 nan 0.000 0.466 397 T N 0.520 115.106 114.554 0.053 0.000 2.851 397 T HA -0.136 4.214 4.350 -0.000 0.000 0.262 397 T C 1.241 175.975 174.700 0.057 0.000 1.043 397 T CA 0.812 62.916 62.100 0.007 0.000 1.140 397 T CB -0.396 68.467 68.868 -0.008 0.000 0.872 397 T HN 0.388 nan 8.240 nan 0.000 0.446 398 W N 2.689 124.000 121.300 0.018 0.000 2.273 398 W HA -0.141 4.519 4.660 -0.000 0.000 0.320 398 W C 1.832 178.406 176.519 0.091 0.000 1.173 398 W CA 1.134 58.493 57.345 0.024 0.000 1.199 398 W CB -0.475 28.920 29.460 -0.108 0.000 1.195 398 W HN 0.114 nan 8.180 nan 0.000 0.454 399 E N 0.147 120.488 120.200 0.235 0.000 2.271 399 E HA -0.273 4.077 4.350 -0.000 0.000 0.209 399 E C 1.867 178.124 176.600 -0.572 0.000 1.046 399 E CA 2.643 58.994 56.400 -0.083 0.000 0.840 399 E CB -0.983 28.846 29.700 0.216 0.000 0.738 399 E HN 0.371 nan 8.360 nan 0.000 0.470 400 T N 0.076 114.457 114.554 -0.288 0.000 2.668 400 T HA -0.154 4.196 4.350 -0.000 0.000 0.262 400 T C 1.430 175.993 174.700 -0.229 0.000 1.045 400 T CA 1.151 63.094 62.100 -0.262 0.000 1.152 400 T CB -0.560 68.223 68.868 -0.141 0.000 0.864 400 T HN 0.450 nan 8.240 nan 0.000 0.419 401 W N 1.454 122.473 121.300 -0.468 0.000 2.335 401 W HA -0.176 4.484 4.660 -0.000 0.000 0.311 401 W C 2.425 178.699 176.519 -0.408 0.000 1.213 401 W CA 1.020 58.096 57.345 -0.448 0.000 1.274 401 W CB -0.165 28.980 29.460 -0.525 0.000 1.148 401 W HN 0.517 nan 8.180 nan 0.000 0.498 402 W N 0.478 121.418 121.300 -0.601 0.000 2.425 402 W HA -0.101 4.559 4.660 -0.000 0.000 0.277 402 W C 1.269 177.602 176.519 -0.310 0.000 1.231 402 W CA 1.420 58.411 57.345 -0.590 0.000 1.248 402 W CB -1.226 27.855 29.460 -0.632 0.000 1.117 402 W HN -0.271 nan 8.180 nan 0.000 0.568 403 T N 1.897 115.940 114.554 -0.852 0.000 3.023 403 T HA -0.149 4.201 4.350 -0.000 0.000 0.266 403 T C 1.119 175.621 174.700 -0.330 0.000 1.093 403 T CA 1.747 63.306 62.100 -0.900 0.000 1.129 403 T CB -0.117 68.049 68.868 -1.169 0.000 0.899 403 T HN 0.481 nan 8.240 nan 0.000 0.491 404 E N -0.470 119.602 120.200 -0.212 0.000 2.583 404 E HA 0.138 4.488 4.350 -0.000 0.000 0.213 404 E C -0.324 176.192 176.600 -0.140 0.000 0.989 404 E CA -0.591 55.770 56.400 -0.065 0.000 0.991 404 E CB 0.080 29.829 29.700 0.083 0.000 1.040 404 E HN 0.383 nan 8.360 nan 0.000 0.481 405 Y N 2.957 122.896 120.300 -0.602 0.000 2.369 405 Y HA 0.132 4.682 4.550 -0.000 0.000 0.337 405 Y C 0.956 176.449 175.900 -0.677 0.000 0.961 405 Y CA -2.116 55.383 58.100 -1.003 0.000 1.186 405 Y CB 0.460 37.904 38.460 -1.694 0.000 1.139 405 Y HN 0.249 nan 8.280 nan 0.000 0.494 406 W N 3.999 124.946 121.300 -0.590 0.000 2.303 406 W HA -0.222 4.438 4.660 -0.000 0.000 0.287 406 W C -0.188 176.002 176.519 -0.548 0.000 1.213 406 W CA 0.820 57.878 57.345 -0.479 0.000 1.203 406 W CB -0.438 28.790 29.460 -0.387 0.000 1.136 406 W HN 0.559 nan 8.180 nan 0.000 0.547 407 Q N 1.387 119.782 119.800 -2.342 0.000 2.306 407 Q HA 0.471 4.811 4.340 -0.000 0.000 0.241 407 Q C -0.501 175.086 176.000 -0.688 0.000 0.948 407 Q CA -0.151 54.629 55.803 -1.705 0.000 0.886 407 Q CB 1.385 28.833 28.738 -2.151 0.000 1.227 407 Q HN 0.076 nan 8.270 nan 0.000 0.457 408 A N 2.970 125.592 122.820 -0.331 0.000 2.341 408 A HA 0.393 4.713 4.320 -0.000 0.000 0.326 408 A C -0.311 177.208 177.584 -0.110 0.000 1.402 408 A CA -0.316 51.620 52.037 -0.168 0.000 0.957 408 A CB 0.894 19.835 19.000 -0.099 0.000 1.151 408 A HN 0.671 nan 8.150 nan 0.000 0.533 409 T N 2.389 116.899 114.554 -0.075 0.000 2.938 409 T HA 0.694 5.044 4.350 -0.000 0.000 0.285 409 T C -1.275 173.489 174.700 0.106 0.000 1.028 409 T CA -0.610 61.501 62.100 0.018 0.000 1.005 409 T CB 1.091 69.993 68.868 0.058 0.000 1.157 409 T HN 0.937 nan 8.240 nan 0.000 0.550 410 W N 6.063 127.303 121.300 -0.099 0.000 3.089 410 W HA 0.394 5.054 4.660 -0.000 0.000 0.333 410 W C -1.861 174.543 176.519 -0.192 0.000 1.053 410 W CA -1.242 56.017 57.345 -0.144 0.000 1.257 410 W CB 0.810 30.180 29.460 -0.149 0.000 1.281 410 W HN 0.609 nan 8.180 nan 0.000 0.427 411 I N 4.504 124.554 120.570 -0.866 0.000 2.315 411 I HA 0.541 4.711 4.170 -0.000 0.000 0.291 411 I C -2.266 173.103 176.117 -1.247 0.000 1.006 411 I CA -3.255 57.389 61.300 -1.094 0.000 1.265 411 I CB -0.168 36.989 38.000 -1.404 0.000 1.387 411 I HN 0.136 nan 8.210 nan 0.000 0.475 412 P HA 0.029 nan 4.420 nan 0.000 0.272 412 P C -0.224 176.907 177.300 -0.282 0.000 1.243 412 P CA -0.120 62.628 63.100 -0.586 0.000 0.803 412 P CB 0.361 31.990 31.700 -0.119 0.000 0.974 413 E N 0.085 120.221 120.200 -0.107 0.000 2.508 413 E HA 0.013 4.363 4.350 -0.000 0.000 0.266 413 E C -0.606 176.105 176.600 0.185 0.000 1.010 413 E CA 0.461 56.874 56.400 0.022 0.000 0.955 413 E CB -0.041 29.649 29.700 -0.018 0.000 0.946 413 E HN 0.501 nan 8.360 nan 0.000 0.454 414 W N 0.599 121.823 121.300 -0.127 0.000 3.439 414 W HA 0.467 5.127 4.660 -0.000 0.000 0.323 414 W C -1.453 175.060 176.519 -0.010 0.000 1.174 414 W CA -0.990 56.318 57.345 -0.062 0.000 1.224 414 W CB 1.058 30.427 29.460 -0.152 0.000 1.348 414 W HN 0.270 nan 8.180 nan 0.000 0.498 415 E N 3.507 123.706 120.200 -0.001 0.000 2.197 415 E HA 0.375 4.724 4.350 -0.000 0.000 0.281 415 E C -0.947 175.738 176.600 0.140 0.000 0.995 415 E CA -1.029 55.341 56.400 -0.050 0.000 0.808 415 E CB 0.688 30.382 29.700 -0.010 0.000 1.093 415 E HN 0.381 nan 8.360 nan 0.000 0.394 416 F N 4.087 124.016 119.950 -0.035 0.000 2.496 416 F HA 0.371 4.898 4.527 -0.000 0.000 0.344 416 F C -0.674 175.175 175.800 0.081 0.000 1.155 416 F CA -0.288 57.764 58.000 0.086 0.000 1.302 416 F CB 0.584 39.618 39.000 0.056 0.000 1.159 416 F HN 0.195 nan 8.300 nan 0.000 0.595 417 V N 6.352 125.756 119.914 -0.850 0.000 2.612 417 V HA 0.144 4.264 4.120 -0.000 0.000 0.301 417 V C 0.407 175.838 176.094 -1.105 0.000 1.059 417 V CA -0.981 60.880 62.300 -0.730 0.000 0.886 417 V CB 1.498 33.186 31.823 -0.226 0.000 1.007 417 V HN 0.813 nan 8.190 nan 0.000 0.426 418 N N 2.021 120.194 118.700 -0.877 0.000 2.609 418 N HA -0.053 4.687 4.740 -0.000 0.000 0.190 418 N C 0.702 176.107 175.510 -0.174 0.000 1.157 418 N CA 0.305 53.072 53.050 -0.471 0.000 0.918 418 N CB 0.223 38.603 38.487 -0.178 0.000 0.978 418 N HN 0.718 nan 8.380 nan 0.000 0.448 419 T N 3.688 118.142 114.554 -0.166 0.000 2.761 419 T HA 0.080 4.430 4.350 -0.000 0.000 0.262 419 T C -2.261 172.438 174.700 -0.002 0.000 0.968 419 T CA -0.757 61.308 62.100 -0.058 0.000 1.235 419 T CB 0.497 69.340 68.868 -0.040 0.000 0.925 419 T HN 0.201 nan 8.240 nan 0.000 0.545 420 P HA 0.177 nan 4.420 nan 0.000 0.270 420 P C -1.994 175.322 177.300 0.027 0.000 1.223 420 P CA -1.352 61.775 63.100 0.044 0.000 0.785 420 P CB -0.352 31.375 31.700 0.045 0.000 0.923 421 P HA 0.005 nan 4.420 nan 0.000 0.266 421 P C -0.872 176.488 177.300 0.100 0.000 1.193 421 P CA 0.034 63.175 63.100 0.068 0.000 0.770 421 P CB 0.375 32.105 31.700 0.050 0.000 0.836 422 L N 4.074 125.367 121.223 0.116 0.000 2.264 422 L HA 0.211 4.551 4.340 -0.000 0.000 0.289 422 L C -0.384 176.551 176.870 0.108 0.000 1.044 422 L CA -0.651 54.265 54.840 0.128 0.000 0.807 422 L CB 1.048 43.157 42.059 0.084 0.000 1.192 422 L HN 0.092 nan 8.230 nan 0.000 0.425 423 V N 6.405 126.428 119.914 0.182 0.000 2.521 423 V HA 0.361 4.481 4.120 -0.000 0.000 0.286 423 V C 0.048 176.153 176.094 0.018 0.000 1.034 423 V CA -0.138 62.272 62.300 0.184 0.000 1.045 423 V CB 0.177 32.172 31.823 0.286 0.000 0.974 423 V HN 0.913 nan 8.190 nan 0.000 0.480 424 K N 4.363 124.677 120.400 -0.143 0.000 2.589 424 K HA 0.424 4.744 4.320 -0.000 0.000 0.265 424 K C -1.387 174.942 176.600 -0.452 0.000 0.935 424 K CA -1.044 55.064 56.287 -0.299 0.000 0.850 424 K CB 1.121 33.400 32.500 -0.369 0.000 1.372 424 K HN 0.335 nan 8.250 nan 0.000 0.420 425 L N 3.152 124.187 121.223 -0.314 0.000 2.745 425 L HA -0.011 4.329 4.340 -0.000 0.000 0.273 425 L C 0.199 176.935 176.870 -0.223 0.000 1.156 425 L CA 0.030 54.703 54.840 -0.279 0.000 0.982 425 L CB -0.311 41.565 42.059 -0.305 0.000 1.295 425 L HN 0.688 nan 8.230 nan 0.000 0.483 426 W N 4.193 125.489 121.300 -0.006 0.000 2.961 426 W HA 0.013 4.673 4.660 -0.000 0.000 0.240 426 W C 0.477 177.138 176.519 0.235 0.000 1.305 426 W CA 0.044 57.453 57.345 0.107 0.000 1.465 426 W CB -0.419 29.120 29.460 0.133 0.000 1.135 426 W HN 0.583 nan 8.180 nan 0.000 0.688 427 Y N -3.407 116.925 120.300 0.055 0.000 2.927 427 Y HA 0.391 4.940 4.550 -0.000 0.000 0.392 427 Y C -1.290 174.586 175.900 -0.041 0.000 1.159 427 Y CA -1.907 56.203 58.100 0.017 0.000 1.220 427 Y CB 0.227 38.717 38.460 0.051 0.000 1.506 427 Y HN -0.132 nan 8.280 nan 0.000 0.481 428 Q N 1.760 121.458 119.800 -0.170 0.000 2.418 428 Q HA 0.662 5.002 4.340 -0.000 0.000 0.282 428 Q C -1.679 174.289 176.000 -0.052 0.000 1.044 428 Q CA -1.115 54.521 55.803 -0.279 0.000 0.813 428 Q CB 3.555 32.195 28.738 -0.163 0.000 1.428 428 Q HN 0.680 nan 8.270 nan 0.000 0.402 429 L N 0.878 122.071 121.223 -0.050 0.000 2.375 429 L HA 0.410 4.750 4.340 -0.000 0.000 0.268 429 L C 0.264 177.192 176.870 0.097 0.000 1.058 429 L CA -1.023 53.861 54.840 0.074 0.000 0.803 429 L CB 0.719 42.818 42.059 0.066 0.000 1.212 429 L HN 0.409 nan 8.230 nan 0.000 0.451 430 E N 1.044 121.350 120.200 0.177 0.000 2.392 430 E HA 0.032 4.382 4.350 -0.000 0.000 0.264 430 E C 0.213 177.003 176.600 0.317 0.000 1.024 430 E CA 0.133 56.656 56.400 0.205 0.000 0.903 430 E CB 1.135 30.955 29.700 0.200 0.000 0.963 430 E HN 0.417 nan 8.360 nan 0.000 0.432 431 K N 1.135 121.650 120.400 0.193 0.000 2.243 431 K HA -0.008 4.312 4.320 -0.000 0.000 0.201 431 K C 0.120 176.882 176.600 0.270 0.000 1.051 431 K CA 0.716 57.128 56.287 0.208 0.000 0.970 431 K CB 0.460 33.017 32.500 0.096 0.000 0.755 431 K HN 0.352 nan 8.250 nan 0.000 0.465 432 E N 0.526 120.740 120.200 0.023 0.000 2.277 432 E HA 0.270 4.620 4.350 -0.000 0.000 0.266 432 E C -2.648 173.441 176.600 -0.851 0.000 0.901 432 E CA -2.736 53.487 56.400 -0.295 0.000 0.782 432 E CB 1.340 30.945 29.700 -0.159 0.000 1.228 432 E HN -0.050 nan 8.360 nan 0.000 0.424 433 P HA 0.139 nan 4.420 nan 0.000 0.268 433 P C -0.163 176.888 177.300 -0.415 0.000 1.205 433 P CA -0.291 62.166 63.100 -1.072 0.000 0.771 433 P CB 0.497 31.809 31.700 -0.646 0.000 0.858 434 I N 3.053 123.482 120.570 -0.234 0.000 2.556 434 I HA -0.003 4.167 4.170 -0.000 0.000 0.284 434 I C 0.593 176.658 176.117 -0.087 0.000 1.114 434 I CA -0.043 61.192 61.300 -0.108 0.000 1.418 434 I CB 0.299 38.277 38.000 -0.036 0.000 1.394 434 I HN 0.099 nan 8.210 nan 0.000 0.552 435 V N 6.522 126.394 119.914 -0.071 0.000 2.530 435 V HA 0.533 4.653 4.120 -0.000 0.000 0.282 435 V C 1.210 177.283 176.094 -0.035 0.000 1.048 435 V CA 0.558 62.827 62.300 -0.052 0.000 0.997 435 V CB 0.249 32.044 31.823 -0.046 0.000 0.987 435 V HN 1.097 nan 8.190 nan 0.000 0.477 436 G N 3.736 112.519 108.800 -0.029 0.000 2.336 436 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.233 436 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.233 436 G C 0.587 175.473 174.900 -0.023 0.000 1.053 436 G CA 0.186 45.271 45.100 -0.024 0.000 0.625 436 G HN 1.591 nan 8.290 nan 0.000 0.511 437 A N 0.924 123.733 122.820 -0.019 0.000 2.524 437 A HA 0.521 4.841 4.320 -0.000 0.000 0.250 437 A C 0.561 178.133 177.584 -0.020 0.000 1.078 437 A CA 0.979 53.011 52.037 -0.007 0.000 0.761 437 A CB 0.102 19.108 19.000 0.009 0.000 1.012 437 A HN 0.805 nan 8.150 nan 0.000 0.500 438 E N 1.834 122.011 120.200 -0.038 0.000 2.502 438 E HA 0.063 4.413 4.350 -0.000 0.000 0.261 438 E C -0.335 176.188 176.600 -0.128 0.000 0.974 438 E CA 0.544 56.869 56.400 -0.124 0.000 0.936 438 E CB 0.358 29.940 29.700 -0.198 0.000 0.926 438 E HN 0.579 nan 8.360 nan 0.000 0.459 439 T N 4.765 119.213 114.554 -0.175 0.000 2.799 439 T HA 0.298 4.648 4.350 -0.000 0.000 0.286 439 T C -0.859 173.681 174.700 -0.266 0.000 0.973 439 T CA -0.293 61.732 62.100 -0.126 0.000 1.035 439 T CB 0.164 69.006 68.868 -0.043 0.000 0.932 439 T HN 0.270 nan 8.240 nan 0.000 0.469 440 F N 3.398 123.270 119.950 -0.130 0.000 2.293 440 F HA 0.337 4.864 4.527 -0.000 0.000 0.370 440 F C -0.128 175.619 175.800 -0.088 0.000 1.090 440 F CA -0.865 57.054 58.000 -0.134 0.000 1.133 440 F CB 0.469 39.353 39.000 -0.194 0.000 1.360 440 F HN 0.585 nan 8.300 nan 0.000 0.489 441 Y N 3.428 123.793 120.300 0.108 0.000 2.624 441 Y HA 0.290 4.840 4.550 -0.000 0.000 0.354 441 Y C 0.339 176.359 175.900 0.200 0.000 1.051 441 Y CA 0.112 58.280 58.100 0.113 0.000 1.377 441 Y CB 0.391 38.883 38.460 0.052 0.000 1.168 441 Y HN 0.295 nan 8.280 nan 0.000 0.525 442 V N 3.599 123.653 119.914 0.232 0.000 2.850 442 V HA 0.638 4.758 4.120 -0.000 0.000 0.315 442 V C -0.685 175.500 176.094 0.151 0.000 1.064 442 V CA -0.163 62.279 62.300 0.237 0.000 0.979 442 V CB 2.171 34.116 31.823 0.203 0.000 1.039 442 V HN 0.823 nan 8.190 nan 0.000 0.452 443 D N 0.929 121.406 120.400 0.129 0.000 2.808 443 D HA 0.621 5.261 4.640 -0.000 0.000 0.294 443 D C -0.837 175.503 176.300 0.066 0.000 1.278 443 D CA 0.544 54.596 54.000 0.086 0.000 0.756 443 D CB 1.734 42.580 40.800 0.076 0.000 1.271 443 D HN 1.029 nan 8.370 nan 0.000 0.425 444 G N -0.001 108.833 108.800 0.057 0.000 1.974 444 G HA2 0.658 4.618 3.960 -0.000 0.000 0.303 444 G HA3 0.658 4.618 3.960 -0.000 0.000 0.303 444 G C -1.063 173.866 174.900 0.048 0.000 2.080 444 G CA 0.096 45.223 45.100 0.046 0.000 0.896 444 G HN 0.518 nan 8.290 nan 0.000 0.514 445 A N 0.966 123.811 122.820 0.042 0.000 2.269 445 A HA 1.071 5.391 4.320 -0.000 0.000 0.319 445 A C 0.506 178.110 177.584 0.034 0.000 1.110 445 A CA 0.116 52.178 52.037 0.042 0.000 0.847 445 A CB 1.582 20.608 19.000 0.044 0.000 1.161 445 A HN 2.386 nan 8.150 nan 0.000 0.497 446 A N 0.540 123.379 122.820 0.032 0.000 2.594 446 A HA 0.639 4.959 4.320 -0.000 0.000 0.291 446 A C -0.876 176.721 177.584 0.022 0.000 1.105 446 A CA -0.722 51.330 52.037 0.024 0.000 0.694 446 A CB 1.027 20.040 19.000 0.023 0.000 1.291 446 A HN 0.746 nan 8.150 nan 0.000 0.410 447 N N 0.541 119.251 118.700 0.016 0.000 2.408 447 N HA 0.130 4.870 4.740 -0.000 0.000 0.257 447 N C 0.792 176.308 175.510 0.011 0.000 1.064 447 N CA -0.450 52.608 53.050 0.014 0.000 0.952 447 N CB 0.876 39.369 38.487 0.011 0.000 1.093 447 N HN 0.556 nan 8.380 nan 0.000 0.490 448 R N 2.686 123.192 120.500 0.011 0.000 2.117 448 R HA -0.202 4.138 4.340 -0.000 0.000 0.243 448 R C 1.527 177.830 176.300 0.004 0.000 1.143 448 R CA 1.572 57.676 56.100 0.007 0.000 0.968 448 R CB -0.345 29.959 30.300 0.007 0.000 0.863 448 R HN 0.760 nan 8.270 nan 0.000 0.444 449 E N -0.521 119.682 120.200 0.005 0.000 2.045 449 E HA -0.038 4.312 4.350 -0.000 0.000 0.190 449 E C 1.473 178.075 176.600 0.004 0.000 0.968 449 E CA 1.384 57.786 56.400 0.004 0.000 0.813 449 E CB -0.537 29.165 29.700 0.004 0.000 0.780 449 E HN 0.032 nan 8.360 nan 0.000 0.455 450 T N 0.973 115.530 114.554 0.005 0.000 2.996 450 T HA -0.095 4.255 4.350 -0.000 0.000 0.271 450 T C 0.211 174.914 174.700 0.004 0.000 1.126 450 T CA 1.044 63.146 62.100 0.005 0.000 1.103 450 T CB -0.431 68.440 68.868 0.006 0.000 0.870 450 T HN 0.283 nan 8.240 nan 0.000 0.528 451 K N 0.649 121.052 120.400 0.005 0.000 3.078 451 K HA -0.170 4.150 4.320 -0.000 0.000 0.261 451 K C -0.708 175.895 176.600 0.005 0.000 0.947 451 K CA 0.331 56.620 56.287 0.004 0.000 0.702 451 K CB -1.678 30.823 32.500 0.002 0.000 1.318 451 K HN 0.440 nan 8.250 nan 0.000 0.473 452 L N -0.159 121.068 121.223 0.007 0.000 2.438 452 L HA 0.597 4.937 4.340 -0.000 0.000 0.270 452 L C 0.537 177.412 176.870 0.010 0.000 0.972 452 L CA -0.767 54.077 54.840 0.007 0.000 0.831 452 L CB 2.191 44.253 42.059 0.006 0.000 1.273 452 L HN 0.228 nan 8.230 nan 0.000 0.405 453 G N 2.206 111.012 108.800 0.010 0.000 2.949 453 G HA2 0.777 4.737 3.960 -0.000 0.000 0.285 453 G HA3 0.777 4.737 3.960 -0.000 0.000 0.285 453 G C -1.622 173.285 174.900 0.011 0.000 1.395 453 G CA -0.435 44.673 45.100 0.014 0.000 0.901 453 G HN 0.269 nan 8.290 nan 0.000 0.519 454 K N -0.817 119.591 120.400 0.012 0.000 2.469 454 K HA 0.805 5.125 4.320 -0.000 0.000 0.254 454 K C -1.171 175.433 176.600 0.006 0.000 0.939 454 K CA -0.796 55.494 56.287 0.005 0.000 0.812 454 K CB 2.283 34.785 32.500 0.004 0.000 1.301 454 K HN 1.054 nan 8.250 nan 0.000 0.433 455 A N 0.834 123.649 122.820 -0.009 0.000 2.456 455 A HA 0.789 5.109 4.320 -0.000 0.000 0.288 455 A C -0.384 177.159 177.584 -0.069 0.000 1.042 455 A CA -0.075 51.956 52.037 -0.011 0.000 0.738 455 A CB 1.570 20.578 19.000 0.013 0.000 1.266 455 A HN 0.750 nan 8.150 nan 0.000 0.407 456 G N 0.428 109.178 108.800 -0.085 0.000 2.846 456 G HA2 0.830 4.790 3.960 -0.000 0.000 0.299 456 G HA3 0.830 4.790 3.960 -0.000 0.000 0.299 456 G C -0.860 173.967 174.900 -0.121 0.000 1.242 456 G CA 0.147 45.101 45.100 -0.244 0.000 0.800 456 G HN 1.680 nan 8.290 nan 0.000 0.538 457 Y N -3.685 116.692 120.300 0.128 0.000 2.905 457 Y HA 0.764 5.314 4.550 -0.000 0.000 0.322 457 Y C -1.385 174.623 175.900 0.180 0.000 1.455 457 Y CA -1.541 56.674 58.100 0.193 0.000 1.083 457 Y CB 1.700 40.357 38.460 0.327 0.000 1.473 457 Y HN 0.631 nan 8.280 nan 0.000 0.449 458 V N 1.347 121.601 119.914 0.566 0.000 2.739 458 V HA 0.333 4.453 4.120 -0.000 0.000 0.293 458 V C -0.623 175.537 176.094 0.110 0.000 1.199 458 V CA -0.376 62.102 62.300 0.297 0.000 0.931 458 V CB 1.637 33.564 31.823 0.174 0.000 1.052 458 V HN 0.998 nan 8.190 nan 0.000 0.441 459 T N 0.239 114.722 114.554 -0.119 0.000 2.918 459 T HA 0.282 4.632 4.350 -0.000 0.000 0.283 459 T C 1.312 175.927 174.700 -0.141 0.000 1.001 459 T CA -0.182 61.736 62.100 -0.304 0.000 1.041 459 T CB 1.210 69.639 68.868 -0.731 0.000 1.028 459 T HN 0.692 nan 8.240 nan 0.000 0.511 460 N N 1.431 120.066 118.700 -0.108 0.000 2.149 460 N HA -0.182 4.558 4.740 -0.000 0.000 0.188 460 N C 1.137 176.593 175.510 -0.091 0.000 1.019 460 N CA 1.125 54.137 53.050 -0.064 0.000 0.857 460 N CB -0.516 37.955 38.487 -0.027 0.000 0.997 460 N HN 0.509 nan 8.380 nan 0.000 0.426 461 K N 0.014 120.330 120.400 -0.139 0.000 2.585 461 K HA 0.084 4.404 4.320 -0.000 0.000 0.194 461 K C 1.010 177.559 176.600 -0.085 0.000 1.037 461 K CA 0.684 56.903 56.287 -0.113 0.000 0.964 461 K CB -0.780 31.634 32.500 -0.144 0.000 0.787 461 K HN 0.536 nan 8.250 nan 0.000 0.488 462 G N 0.437 109.189 108.800 -0.080 0.000 2.168 462 G HA2 -0.369 3.591 3.960 -0.000 0.000 0.263 462 G HA3 -0.369 3.591 3.960 -0.000 0.000 0.263 462 G C 0.042 174.933 174.900 -0.015 0.000 0.977 462 G CA 0.250 45.325 45.100 -0.041 0.000 0.659 462 G HN 0.358 nan 8.290 nan 0.000 0.533 463 R N 0.704 121.182 120.500 -0.037 0.000 2.267 463 R HA 0.459 4.799 4.340 -0.000 0.000 0.319 463 R C 0.503 176.900 176.300 0.163 0.000 1.067 463 R CA 0.084 56.206 56.100 0.037 0.000 0.936 463 R CB 0.286 30.587 30.300 0.001 0.000 1.006 463 R HN 0.553 nan 8.270 nan 0.000 0.452 464 Q N 2.208 122.142 119.800 0.223 0.000 2.576 464 Q HA 0.556 4.896 4.340 -0.000 0.000 0.249 464 Q C -1.148 175.024 176.000 0.286 0.000 1.041 464 Q CA -0.904 55.083 55.803 0.306 0.000 0.928 464 Q CB 2.190 31.021 28.738 0.154 0.000 1.302 464 Q HN 0.464 nan 8.270 nan 0.000 0.504 465 K N -0.686 119.757 120.400 0.071 0.000 2.801 465 K HA 0.304 4.624 4.320 -0.000 0.000 0.287 465 K C -2.263 174.209 176.600 -0.214 0.000 1.084 465 K CA -0.327 55.888 56.287 -0.120 0.000 0.901 465 K CB 1.195 33.533 32.500 -0.270 0.000 1.405 465 K HN 0.385 nan 8.250 nan 0.000 0.378 466 V N 3.505 123.338 119.914 -0.135 0.000 2.675 466 V HA 0.205 4.325 4.120 -0.000 0.000 0.266 466 V C -0.630 175.420 176.094 -0.073 0.000 0.974 466 V CA -0.800 61.439 62.300 -0.102 0.000 0.890 466 V CB 1.563 33.358 31.823 -0.046 0.000 1.055 466 V HN 0.542 nan 8.190 nan 0.000 0.477 467 V N 6.848 126.712 119.914 -0.083 0.000 2.649 467 V HA 0.398 4.518 4.120 -0.000 0.000 0.292 467 V C -2.096 173.983 176.094 -0.025 0.000 1.055 467 V CA -1.488 60.785 62.300 -0.045 0.000 1.023 467 V CB 1.801 33.602 31.823 -0.037 0.000 0.992 467 V HN 0.630 nan 8.190 nan 0.000 0.480 468 P HA 0.601 nan 4.420 nan 0.000 0.286 468 P C -1.272 176.028 177.300 0.000 0.000 1.261 468 P CA -0.487 62.610 63.100 -0.005 0.000 0.821 468 P CB 0.884 32.582 31.700 -0.003 0.000 1.013 469 L N 1.327 122.551 121.223 0.003 0.000 2.431 469 L HA 0.626 4.966 4.340 -0.000 0.000 0.266 469 L C 0.086 176.959 176.870 0.005 0.000 0.978 469 L CA -0.601 54.242 54.840 0.005 0.000 0.822 469 L CB 2.452 44.516 42.059 0.009 0.000 1.310 469 L HN 0.353 nan 8.230 nan 0.000 0.409 470 T N -1.000 113.556 114.554 0.003 0.000 2.856 470 T HA 0.393 4.743 4.350 -0.000 0.000 0.283 470 T C 0.034 174.735 174.700 0.002 0.000 1.008 470 T CA -0.641 61.461 62.100 0.002 0.000 0.997 470 T CB 1.600 70.469 68.868 0.001 0.000 0.992 470 T HN 0.792 nan 8.240 nan 0.000 0.454 471 N N 0.915 119.616 118.700 0.002 0.000 2.725 471 N HA -0.184 4.555 4.740 -0.000 0.000 0.256 471 N C -1.012 174.499 175.510 0.002 0.000 1.087 471 N CA 0.697 53.747 53.050 0.001 0.000 0.690 471 N CB -0.896 37.591 38.487 -0.001 0.000 0.891 471 N HN 0.995 nan 8.380 nan 0.000 0.553 472 T N -0.016 114.541 114.554 0.004 0.000 2.923 472 T HA 0.495 4.845 4.350 -0.000 0.000 0.311 472 T C 0.374 175.079 174.700 0.008 0.000 1.183 472 T CA 0.281 62.386 62.100 0.008 0.000 1.020 472 T CB 1.694 70.569 68.868 0.012 0.000 1.165 472 T HN 0.373 nan 8.240 nan 0.000 0.482 473 T N 1.452 116.011 114.554 0.009 0.000 2.833 473 T HA 0.346 4.696 4.350 -0.000 0.000 0.292 473 T C 1.142 175.850 174.700 0.014 0.000 1.031 473 T CA -0.074 62.028 62.100 0.003 0.000 0.937 473 T CB 0.519 69.381 68.868 -0.010 0.000 1.256 473 T HN 0.560 nan 8.240 nan 0.000 0.551 474 N N -0.626 118.079 118.700 0.009 0.000 2.305 474 N HA -0.012 4.728 4.740 -0.000 0.000 0.179 474 N C 2.096 177.635 175.510 0.049 0.000 1.019 474 N CA 0.728 53.794 53.050 0.027 0.000 0.869 474 N CB -0.167 38.335 38.487 0.024 0.000 1.000 474 N HN 0.645 nan 8.380 nan 0.000 0.431 475 Q N -0.213 119.601 119.800 0.023 0.000 2.226 475 Q HA -0.150 4.190 4.340 -0.000 0.000 0.204 475 Q C 1.569 177.666 176.000 0.163 0.000 0.975 475 Q CA 1.043 56.897 55.803 0.085 0.000 0.866 475 Q CB 0.017 28.640 28.738 -0.192 0.000 0.915 475 Q HN 0.175 nan 8.270 nan 0.000 0.440 476 K N 0.295 120.749 120.400 0.090 0.000 2.057 476 K HA -0.133 4.187 4.320 -0.000 0.000 0.207 476 K C 2.040 178.690 176.600 0.084 0.000 1.049 476 K CA 1.965 58.305 56.287 0.088 0.000 0.931 476 K CB -0.356 32.171 32.500 0.046 0.000 0.714 476 K HN 0.355 nan 8.250 nan 0.000 0.440 477 T N -1.419 113.178 114.554 0.073 0.000 2.809 477 T HA -0.040 4.310 4.350 -0.000 0.000 0.260 477 T C 1.445 176.197 174.700 0.086 0.000 1.039 477 T CA 0.956 63.096 62.100 0.066 0.000 1.141 477 T CB -0.426 68.472 68.868 0.050 0.000 0.869 477 T HN 0.285 nan 8.240 nan 0.000 0.437 478 E N 1.214 121.478 120.200 0.108 0.000 2.393 478 E HA -0.038 4.312 4.350 -0.000 0.000 0.201 478 E C 1.787 178.456 176.600 0.116 0.000 1.025 478 E CA 0.709 57.181 56.400 0.121 0.000 0.856 478 E CB -0.306 29.492 29.700 0.164 0.000 0.771 478 E HN 0.556 nan 8.360 nan 0.000 0.526 479 L N -0.589 120.705 121.223 0.118 0.000 2.575 479 L HA 0.024 4.364 4.340 -0.000 0.000 0.228 479 L C 2.314 179.246 176.870 0.103 0.000 1.075 479 L CA 0.067 54.962 54.840 0.093 0.000 0.867 479 L CB 0.095 42.210 42.059 0.094 0.000 1.097 479 L HN 0.026 nan 8.230 nan 0.000 0.485 480 Q N 1.141 120.999 119.800 0.097 0.000 1.990 480 Q HA -0.114 4.226 4.340 -0.000 0.000 0.200 480 Q C 2.241 178.319 176.000 0.131 0.000 0.980 480 Q CA 2.238 58.109 55.803 0.115 0.000 0.832 480 Q CB -0.254 28.529 28.738 0.074 0.000 0.897 480 Q HN 0.380 nan 8.270 nan 0.000 0.427 481 A N 0.863 123.734 122.820 0.084 0.000 1.870 481 A HA -0.314 4.006 4.320 -0.000 0.000 0.219 481 A C 2.071 179.702 177.584 0.079 0.000 1.286 481 A CA 2.280 54.358 52.037 0.069 0.000 0.682 481 A CB -1.455 17.592 19.000 0.078 0.000 0.844 481 A HN 0.520 nan 8.150 nan 0.000 0.460 482 I N -2.077 118.541 120.570 0.080 0.000 2.094 482 I HA -0.398 3.772 4.170 -0.000 0.000 0.236 482 I C 2.482 178.621 176.117 0.037 0.000 1.016 482 I CA 2.680 64.012 61.300 0.053 0.000 1.294 482 I CB -0.953 37.077 38.000 0.050 0.000 1.006 482 I HN 0.623 nan 8.210 nan 0.000 0.397 483 Y N 1.398 121.677 120.300 -0.034 0.000 2.132 483 Y HA -0.333 4.217 4.550 -0.000 0.000 0.280 483 Y C 2.359 178.225 175.900 -0.055 0.000 1.193 483 Y CA 2.027 60.098 58.100 -0.049 0.000 1.157 483 Y CB -0.514 37.923 38.460 -0.038 0.000 0.966 483 Y HN 0.124 nan 8.280 nan 0.000 0.511 484 L N 0.486 121.670 121.223 -0.064 0.000 2.012 484 L HA -0.156 4.184 4.340 -0.000 0.000 0.210 484 L C 2.519 179.283 176.870 -0.175 0.000 1.073 484 L CA 2.212 56.962 54.840 -0.150 0.000 0.748 484 L CB -1.408 40.624 42.059 -0.044 0.000 0.891 484 L HN 0.341 nan 8.230 nan 0.000 0.431 485 A N -0.487 122.261 122.820 -0.121 0.000 1.828 485 A HA -0.197 4.123 4.320 -0.000 0.000 0.215 485 A C 2.209 179.416 177.584 -0.628 0.000 1.203 485 A CA 1.972 53.749 52.037 -0.433 0.000 0.614 485 A CB -1.163 17.648 19.000 -0.315 0.000 0.844 485 A HN 0.449 nan 8.150 nan 0.000 0.445 486 L N -0.642 120.345 121.223 -0.395 0.000 2.123 486 L HA -0.371 3.969 4.340 -0.000 0.000 0.217 486 L C 2.888 179.541 176.870 -0.361 0.000 1.081 486 L CA 2.189 56.837 54.840 -0.319 0.000 0.772 486 L CB -0.577 41.346 42.059 -0.225 0.000 0.890 486 L HN 0.590 nan 8.230 nan 0.000 0.437 487 Q N -0.307 119.216 119.800 -0.461 0.000 2.050 487 Q HA -0.156 4.184 4.340 -0.000 0.000 0.202 487 Q C 0.087 175.946 176.000 -0.236 0.000 0.980 487 Q CA 1.325 56.881 55.803 -0.413 0.000 0.840 487 Q CB 0.279 28.680 28.738 -0.562 0.000 0.898 487 Q HN 0.507 nan 8.270 nan 0.000 0.424 488 D N 1.001 121.269 120.400 -0.221 0.000 2.772 488 D HA 0.132 4.772 4.640 -0.000 0.000 0.273 488 D C -0.767 175.476 176.300 -0.095 0.000 1.233 488 D CA 0.053 54.005 54.000 -0.080 0.000 0.984 488 D CB 0.517 41.379 40.800 0.103 0.000 1.000 488 D HN 0.104 nan 8.370 nan 0.000 0.514 489 S N -1.708 113.941 115.700 -0.084 0.000 2.565 489 S HA 0.668 5.138 4.470 -0.000 0.000 0.269 489 S C 0.163 174.783 174.600 0.034 0.000 1.153 489 S CA -1.055 57.175 58.200 0.051 0.000 0.835 489 S CB 1.661 64.847 63.200 -0.022 0.000 1.122 489 S HN 0.144 nan 8.310 nan 0.000 0.462 490 G N 0.158 109.001 108.800 0.072 0.000 2.634 490 G HA2 0.460 4.420 3.960 -0.000 0.000 0.255 490 G HA3 0.460 4.420 3.960 -0.000 0.000 0.255 490 G C 0.525 175.440 174.900 0.025 0.000 1.205 490 G CA -0.946 44.176 45.100 0.038 0.000 0.884 490 G HN 0.777 nan 8.290 nan 0.000 0.549 491 L N -0.737 120.496 121.223 0.017 0.000 2.671 491 L HA 0.012 4.352 4.340 -0.000 0.000 0.236 491 L C 1.215 178.100 176.870 0.024 0.000 1.178 491 L CA 1.254 56.103 54.840 0.015 0.000 0.829 491 L CB -0.653 41.414 42.059 0.014 0.000 0.956 491 L HN 0.507 nan 8.230 nan 0.000 0.455 492 E N -1.002 119.216 120.200 0.031 0.000 2.246 492 E HA 0.635 4.985 4.350 -0.000 0.000 0.266 492 E C -1.471 175.164 176.600 0.058 0.000 0.880 492 E CA -0.355 56.068 56.400 0.039 0.000 0.762 492 E CB 2.383 32.099 29.700 0.027 0.000 1.180 492 E HN -0.188 nan 8.360 nan 0.000 0.416 493 V N 3.908 123.865 119.914 0.073 0.000 3.147 493 V HA 0.443 4.563 4.120 -0.000 0.000 0.299 493 V C -1.788 174.379 176.094 0.122 0.000 1.302 493 V CA -0.650 61.715 62.300 0.110 0.000 1.015 493 V CB 2.464 34.361 31.823 0.124 0.000 1.086 493 V HN 0.762 nan 8.190 nan 0.000 0.437 494 N N 5.732 124.512 118.700 0.133 0.000 2.443 494 N HA 0.555 5.295 4.740 -0.000 0.000 0.269 494 N C -1.329 174.246 175.510 0.109 0.000 0.985 494 N CA -0.659 52.478 53.050 0.145 0.000 0.921 494 N CB 1.567 40.120 38.487 0.110 0.000 1.195 494 N HN 0.423 nan 8.380 nan 0.000 0.492 495 I N 2.442 123.060 120.570 0.081 0.000 2.377 495 I HA 0.346 4.516 4.170 -0.000 0.000 0.293 495 I C 0.066 176.156 176.117 -0.045 0.000 0.987 495 I CA -0.838 60.482 61.300 0.033 0.000 1.185 495 I CB 1.521 39.537 38.000 0.027 0.000 1.341 495 I HN 0.152 nan 8.210 nan 0.000 0.455 496 V N 5.961 125.813 119.914 -0.104 0.000 2.350 496 V HA 0.401 4.520 4.120 -0.000 0.000 0.285 496 V C 0.067 176.126 176.094 -0.058 0.000 1.014 496 V CA -0.178 62.025 62.300 -0.161 0.000 0.831 496 V CB 1.866 33.411 31.823 -0.464 0.000 1.000 496 V HN 0.873 nan 8.190 nan 0.000 0.433 497 T N 3.171 117.717 114.554 -0.013 0.000 2.888 497 T HA 0.312 4.662 4.350 -0.000 0.000 0.284 497 T C 0.577 175.264 174.700 -0.021 0.000 1.017 497 T CA -0.444 61.674 62.100 0.029 0.000 1.022 497 T CB 1.646 70.566 68.868 0.087 0.000 1.013 497 T HN 0.816 nan 8.240 nan 0.000 0.465 498 D N 0.012 120.390 120.400 -0.037 0.000 2.349 498 D HA -0.008 4.632 4.640 -0.000 0.000 0.214 498 D C 0.725 177.043 176.300 0.030 0.000 1.063 498 D CA -0.135 53.760 54.000 -0.175 0.000 0.847 498 D CB 0.163 40.873 40.800 -0.151 0.000 0.933 498 D HN 0.347 nan 8.370 nan 0.000 0.513 499 S N 1.028 116.828 115.700 0.166 0.000 2.642 499 S HA 0.064 4.533 4.470 -0.000 0.000 0.309 499 S C 1.352 176.169 174.600 0.361 0.000 1.125 499 S CA -0.604 57.756 58.200 0.266 0.000 1.055 499 S CB 0.502 63.817 63.200 0.192 0.000 1.157 499 S HN 0.247 nan 8.310 nan 0.000 0.513 500 Q N 3.507 123.612 119.800 0.509 0.000 2.234 500 Q HA -0.215 4.125 4.340 -0.000 0.000 0.206 500 Q C 1.402 177.440 176.000 0.063 0.000 0.980 500 Q CA 1.392 57.273 55.803 0.129 0.000 0.869 500 Q CB -0.651 28.070 28.738 -0.029 0.000 0.912 500 Q HN 0.873 nan 8.270 nan 0.000 0.436 501 Y N 2.004 122.341 120.300 0.062 0.000 2.089 501 Y HA -0.124 4.426 4.550 -0.000 0.000 0.282 501 Y C 2.556 178.467 175.900 0.020 0.000 1.139 501 Y CA 1.432 59.552 58.100 0.033 0.000 1.123 501 Y CB -0.881 37.611 38.460 0.053 0.000 0.980 501 Y HN 0.134 nan 8.280 nan 0.000 0.493 502 A N 0.303 122.981 122.820 -0.236 0.000 1.940 502 A HA -0.185 4.135 4.320 -0.000 0.000 0.219 502 A C 2.210 179.667 177.584 -0.212 0.000 1.176 502 A CA 1.945 53.802 52.037 -0.300 0.000 0.631 502 A CB -1.184 17.790 19.000 -0.044 0.000 0.814 502 A HN 0.551 nan 8.150 nan 0.000 0.446 503 L N -0.274 120.890 121.223 -0.099 0.000 2.022 503 L HA 0.132 4.472 4.340 -0.000 0.000 0.204 503 L C 2.504 179.299 176.870 -0.126 0.000 1.076 503 L CA 2.311 57.102 54.840 -0.081 0.000 0.749 503 L CB -1.524 40.510 42.059 -0.042 0.000 0.903 503 L HN 0.301 nan 8.230 nan 0.000 0.439 504 G N 0.343 109.053 108.800 -0.149 0.000 2.517 504 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.222 504 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.222 504 G C 1.475 176.320 174.900 -0.093 0.000 1.109 504 G CA 1.220 46.251 45.100 -0.115 0.000 0.746 504 G HN 0.360 nan 8.290 nan 0.000 0.576 505 I N 1.182 121.623 120.570 -0.215 0.000 2.244 505 I HA -0.018 4.152 4.170 -0.000 0.000 0.231 505 I C 2.869 178.898 176.117 -0.147 0.000 1.065 505 I CA 0.309 61.438 61.300 -0.285 0.000 1.358 505 I CB -1.241 36.398 38.000 -0.602 0.000 1.130 505 I HN 0.054 nan 8.210 nan 0.000 0.411 506 I N 0.937 121.423 120.570 -0.139 0.000 2.121 506 I HA -0.351 3.819 4.170 -0.000 0.000 0.243 506 I C 2.546 178.691 176.117 0.046 0.000 1.047 506 I CA 1.645 62.933 61.300 -0.019 0.000 1.308 506 I CB -1.448 36.547 38.000 -0.009 0.000 1.015 506 I HN 0.448 nan 8.210 nan 0.000 0.410 507 Q N 0.226 120.041 119.800 0.025 0.000 2.248 507 Q HA -0.169 4.171 4.340 -0.000 0.000 0.208 507 Q C 2.254 178.364 176.000 0.183 0.000 0.984 507 Q CA 1.810 57.657 55.803 0.073 0.000 0.875 507 Q CB -0.361 28.402 28.738 0.042 0.000 0.910 507 Q HN 0.645 nan 8.270 nan 0.000 0.433 508 A N 0.238 123.180 122.820 0.203 0.000 2.167 508 A HA -0.100 4.220 4.320 -0.000 0.000 0.214 508 A C 0.577 178.295 177.584 0.222 0.000 1.151 508 A CA 0.452 52.710 52.037 0.368 0.000 0.735 508 A CB -0.044 19.151 19.000 0.324 0.000 0.802 508 A HN 0.469 nan 8.150 nan 0.000 0.467 509 Q N -2.168 117.671 119.800 0.066 0.000 2.478 509 Q HA -0.129 4.211 4.340 -0.000 0.000 0.286 509 Q C -2.276 173.754 176.000 0.051 0.000 1.299 509 Q CA 0.280 56.048 55.803 -0.058 0.000 0.826 509 Q CB -2.179 26.245 28.738 -0.523 0.000 1.199 509 Q HN 0.464 nan 8.270 nan 0.000 0.451 510 P HA -0.088 nan 4.420 nan 0.000 0.264 510 P C 0.204 177.582 177.300 0.132 0.000 1.183 510 P CA 0.778 63.950 63.100 0.121 0.000 0.763 510 P CB 0.456 32.226 31.700 0.116 0.000 0.807 511 D N 2.434 122.895 120.400 0.101 0.000 2.350 511 D HA 0.008 4.648 4.640 -0.000 0.000 0.213 511 D C 0.211 176.463 176.300 -0.080 0.000 1.031 511 D CA 0.415 54.429 54.000 0.022 0.000 0.861 511 D CB -0.007 40.837 40.800 0.074 0.000 0.926 511 D HN 0.420 nan 8.370 nan 0.000 0.520 512 K N -2.659 117.746 120.400 0.007 0.000 2.685 512 K HA 0.564 4.884 4.320 -0.000 0.000 0.290 512 K C -1.483 175.164 176.600 0.079 0.000 1.018 512 K CA -0.975 55.310 56.287 -0.003 0.000 0.860 512 K CB 1.508 33.992 32.500 -0.027 0.000 1.498 512 K HN -0.068 nan 8.250 nan 0.000 0.390 513 S N -0.690 115.049 115.700 0.066 0.000 2.615 513 S HA 0.162 4.632 4.470 -0.000 0.000 0.269 513 S C -0.553 174.055 174.600 0.014 0.000 1.161 513 S CA -0.352 57.907 58.200 0.099 0.000 0.817 513 S CB 1.595 64.969 63.200 0.290 0.000 1.131 513 S HN 0.761 nan 8.310 nan 0.000 0.467 514 E N 0.667 120.836 120.200 -0.052 0.000 2.502 514 E HA 0.191 4.541 4.350 -0.000 0.000 0.194 514 E C 0.369 176.949 176.600 -0.032 0.000 1.062 514 E CA -0.013 56.355 56.400 -0.053 0.000 0.867 514 E CB 0.204 29.855 29.700 -0.082 0.000 0.888 514 E HN 0.216 nan 8.360 nan 0.000 0.510 515 S N 0.621 116.324 115.700 0.006 0.000 2.525 515 S HA 0.109 4.578 4.470 -0.000 0.000 0.290 515 S C 0.532 175.137 174.600 0.007 0.000 1.152 515 S CA -0.700 57.521 58.200 0.034 0.000 1.072 515 S CB 1.315 64.590 63.200 0.124 0.000 1.027 515 S HN 0.243 nan 8.310 nan 0.000 0.500 516 E N 3.280 123.471 120.200 -0.015 0.000 2.208 516 E HA -0.046 4.304 4.350 -0.000 0.000 0.193 516 E C 1.409 177.956 176.600 -0.088 0.000 0.988 516 E CA 0.641 57.011 56.400 -0.049 0.000 0.828 516 E CB -0.097 29.573 29.700 -0.051 0.000 0.763 516 E HN 0.455 nan 8.360 nan 0.000 0.478 517 L N 0.086 121.264 121.223 -0.074 0.000 2.316 517 L HA 0.109 4.449 4.340 -0.000 0.000 0.207 517 L C 1.878 178.693 176.870 -0.092 0.000 1.070 517 L CA 0.747 55.508 54.840 -0.131 0.000 0.820 517 L CB 0.149 42.157 42.059 -0.085 0.000 0.992 517 L HN 0.013 nan 8.230 nan 0.000 0.466 518 V N 0.111 120.023 119.914 -0.004 0.000 2.913 518 V HA -0.181 3.938 4.120 -0.000 0.000 0.260 518 V C 1.711 177.795 176.094 -0.017 0.000 1.098 518 V CA 1.702 64.009 62.300 0.012 0.000 1.121 518 V CB -1.131 30.767 31.823 0.124 0.000 0.714 518 V HN 0.531 nan 8.190 nan 0.000 0.487 519 N N -0.754 117.923 118.700 -0.037 0.000 2.373 519 N HA -0.043 4.697 4.740 -0.000 0.000 0.181 519 N C 1.802 177.257 175.510 -0.093 0.000 1.082 519 N CA 0.187 53.199 53.050 -0.062 0.000 0.885 519 N CB 0.205 38.657 38.487 -0.059 0.000 0.977 519 N HN 0.519 nan 8.380 nan 0.000 0.462 520 Q N 0.646 120.374 119.800 -0.120 0.000 2.304 520 Q HA 0.206 4.546 4.340 -0.000 0.000 0.204 520 Q C 1.853 177.846 176.000 -0.012 0.000 0.936 520 Q CA 0.221 55.940 55.803 -0.141 0.000 0.878 520 Q CB 0.480 28.992 28.738 -0.375 0.000 0.983 520 Q HN 0.289 nan 8.270 nan 0.000 0.516 521 I N 0.822 121.387 120.570 -0.008 0.000 2.756 521 I HA -0.231 3.939 4.170 -0.000 0.000 0.262 521 I C 1.811 177.913 176.117 -0.025 0.000 1.225 521 I CA 0.793 62.158 61.300 0.108 0.000 1.472 521 I CB 0.057 38.089 38.000 0.054 0.000 1.094 521 I HN 0.323 nan 8.210 nan 0.000 0.454 522 I N 0.418 120.935 120.570 -0.087 0.000 2.339 522 I HA -0.205 3.965 4.170 -0.000 0.000 0.245 522 I C 1.893 177.872 176.117 -0.230 0.000 1.096 522 I CA 1.133 62.316 61.300 -0.196 0.000 1.408 522 I CB -0.043 37.862 38.000 -0.157 0.000 1.092 522 I HN 0.138 nan 8.210 nan 0.000 0.423 523 E N 0.326 120.444 120.200 -0.137 0.000 2.516 523 E HA -0.164 4.186 4.350 -0.000 0.000 0.199 523 E C 1.544 178.102 176.600 -0.070 0.000 1.069 523 E CA 0.262 56.596 56.400 -0.110 0.000 0.876 523 E CB 0.163 29.817 29.700 -0.077 0.000 0.843 523 E HN 0.441 nan 8.360 nan 0.000 0.530 524 Q N -0.390 119.370 119.800 -0.066 0.000 2.350 524 Q HA 0.132 4.472 4.340 -0.000 0.000 0.225 524 Q C 1.943 177.881 176.000 -0.104 0.000 0.878 524 Q CA 0.093 55.864 55.803 -0.053 0.000 0.935 524 Q CB 0.665 29.393 28.738 -0.017 0.000 1.099 524 Q HN 0.368 nan 8.270 nan 0.000 0.527 525 L N 0.083 121.187 121.223 -0.197 0.000 2.127 525 L HA -0.062 4.278 4.340 -0.000 0.000 0.203 525 L C 2.007 178.732 176.870 -0.241 0.000 1.080 525 L CA 0.391 55.060 54.840 -0.286 0.000 0.768 525 L CB -0.196 41.456 42.059 -0.678 0.000 0.924 525 L HN 0.157 nan 8.230 nan 0.000 0.444 526 I N 0.449 120.862 120.570 -0.262 0.000 2.335 526 I HA -0.304 3.866 4.170 -0.000 0.000 0.251 526 I C 2.347 178.466 176.117 0.003 0.000 1.129 526 I CA 1.653 62.906 61.300 -0.078 0.000 1.402 526 I CB -0.845 37.124 38.000 -0.051 0.000 1.069 526 I HN 0.292 nan 8.210 nan 0.000 0.424 527 K N 0.092 120.477 120.400 -0.024 0.000 2.211 527 K HA -0.020 4.300 4.320 -0.000 0.000 0.201 527 K C 0.780 177.384 176.600 0.007 0.000 1.052 527 K CA 0.146 56.433 56.287 -0.000 0.000 0.973 527 K CB 0.265 32.759 32.500 -0.011 0.000 0.766 527 K HN 0.111 nan 8.250 nan 0.000 0.466 528 K N 1.246 121.645 120.400 -0.002 0.000 2.276 528 K HA -0.050 4.270 4.320 -0.000 0.000 0.259 528 K C 0.907 177.530 176.600 0.037 0.000 1.001 528 K CA 0.510 56.805 56.287 0.013 0.000 0.927 528 K CB 0.896 33.402 32.500 0.010 0.000 0.969 528 K HN 0.149 nan 8.250 nan 0.000 0.490 529 E N 1.216 121.437 120.200 0.035 0.000 2.057 529 E HA -0.020 4.330 4.350 -0.000 0.000 0.190 529 E C -0.412 176.217 176.600 0.048 0.000 0.969 529 E CA 0.857 57.279 56.400 0.038 0.000 0.812 529 E CB 0.457 30.173 29.700 0.027 0.000 0.777 529 E HN 0.290 nan 8.360 nan 0.000 0.455 530 K N 0.697 121.127 120.400 0.050 0.000 2.578 530 K HA 0.389 4.709 4.320 -0.000 0.000 0.250 530 K C -1.771 174.879 176.600 0.084 0.000 0.955 530 K CA -0.454 55.870 56.287 0.062 0.000 0.825 530 K CB 2.680 35.205 32.500 0.042 0.000 1.151 530 K HN -0.107 nan 8.250 nan 0.000 0.432 531 V N 3.865 123.848 119.914 0.115 0.000 2.531 531 V HA 0.381 4.501 4.120 -0.000 0.000 0.301 531 V C -1.413 174.800 176.094 0.198 0.000 1.034 531 V CA -0.903 61.477 62.300 0.133 0.000 0.865 531 V CB 1.528 33.418 31.823 0.111 0.000 0.995 531 V HN 0.699 nan 8.190 nan 0.000 0.424 532 Y N 5.148 125.471 120.300 0.038 0.000 2.373 532 Y HA 0.741 5.291 4.550 -0.000 0.000 0.336 532 Y C -1.137 174.782 175.900 0.031 0.000 0.979 532 Y CA -0.655 57.465 58.100 0.034 0.000 1.080 532 Y CB 1.693 40.166 38.460 0.022 0.000 1.190 532 Y HN 0.581 nan 8.280 nan 0.000 0.446 533 L N 5.466 126.494 121.223 -0.325 0.000 2.331 533 L HA 0.937 5.276 4.340 -0.000 0.000 0.275 533 L C -0.687 175.914 176.870 -0.449 0.000 1.022 533 L CA -0.762 53.924 54.840 -0.256 0.000 0.812 533 L CB 1.670 43.649 42.059 -0.133 0.000 1.257 533 L HN 0.843 nan 8.230 nan 0.000 0.435 534 A N 2.194 124.892 122.820 -0.203 0.000 2.475 534 A HA 0.564 4.883 4.320 -0.000 0.000 0.301 534 A C -2.284 175.337 177.584 0.061 0.000 1.059 534 A CA -0.409 51.555 52.037 -0.122 0.000 0.710 534 A CB 1.213 20.171 19.000 -0.071 0.000 1.288 534 A HN 0.704 nan 8.150 nan 0.000 0.408 535 W N 2.333 123.578 121.300 -0.093 0.000 2.471 535 W HA 0.611 5.271 4.660 -0.000 0.000 0.318 535 W C -1.595 174.911 176.519 -0.021 0.000 1.034 535 W CA -0.373 56.940 57.345 -0.053 0.000 1.224 535 W CB 1.789 31.218 29.460 -0.052 0.000 1.335 535 W HN 0.494 nan 8.180 nan 0.000 0.452 536 V N 9.049 128.604 119.914 -0.598 0.000 2.443 536 V HA 0.369 4.489 4.120 -0.000 0.000 0.293 536 V C -1.747 173.726 176.094 -1.036 0.000 1.021 536 V CA -2.160 59.772 62.300 -0.613 0.000 0.848 536 V CB 1.497 33.175 31.823 -0.242 0.000 0.998 536 V HN 0.427 nan 8.190 nan 0.000 0.424 537 P HA -0.015 nan 4.420 nan 0.000 0.263 537 P C 0.740 177.729 177.300 -0.519 0.000 1.175 537 P CA 0.592 63.112 63.100 -0.965 0.000 0.761 537 P CB 0.839 32.208 31.700 -0.553 0.000 0.794 538 A N 5.512 128.064 122.820 -0.447 0.000 2.766 538 A HA -0.280 4.040 4.320 -0.000 0.000 0.199 538 A C 1.996 179.396 177.584 -0.308 0.000 1.073 538 A CA 1.914 53.701 52.037 -0.417 0.000 1.016 538 A CB -1.996 16.613 19.000 -0.651 0.000 0.765 538 A HN 0.731 nan 8.150 nan 0.000 0.562 539 H N 0.069 119.110 119.070 -0.048 0.000 2.355 539 H HA -0.179 4.377 4.556 -0.000 0.000 0.293 539 H C 1.957 177.261 175.328 -0.041 0.000 1.060 539 H CA 1.941 57.969 56.048 -0.032 0.000 1.167 539 H CB -1.196 28.556 29.762 -0.016 0.000 1.376 539 H HN 0.610 nan 8.280 nan 0.000 0.549 540 K N 0.334 120.794 120.400 0.100 0.000 2.052 540 K HA -0.139 4.181 4.320 -0.000 0.000 0.215 540 K C 2.142 178.730 176.600 -0.019 0.000 1.053 540 K CA 1.463 57.768 56.287 0.030 0.000 0.934 540 K CB -0.615 31.895 32.500 0.016 0.000 0.717 540 K HN 0.392 nan 8.250 nan 0.000 0.450 541 G N 2.355 111.106 108.800 -0.081 0.000 3.318 541 G HA2 0.025 3.985 3.960 -0.000 0.000 0.230 541 G HA3 0.025 3.985 3.960 -0.000 0.000 0.230 541 G C 0.696 175.556 174.900 -0.066 0.000 1.317 541 G CA -0.207 44.831 45.100 -0.104 0.000 1.197 541 G HN 0.432 nan 8.290 nan 0.000 0.514 542 I N -1.487 119.065 120.570 -0.030 0.000 3.648 542 I HA 0.334 4.504 4.170 -0.000 0.000 0.305 542 I C 1.387 177.493 176.117 -0.018 0.000 1.345 542 I CA -0.481 60.811 61.300 -0.013 0.000 1.325 542 I CB -0.433 37.572 38.000 0.008 0.000 1.188 542 I HN -0.022 nan 8.210 nan 0.000 0.460 543 G N 2.021 110.811 108.800 -0.015 0.000 2.622 543 G HA2 0.025 3.985 3.960 -0.000 0.000 0.206 543 G HA3 0.025 3.985 3.960 -0.000 0.000 0.206 543 G C 1.270 176.123 174.900 -0.077 0.000 1.458 543 G CA 0.662 45.748 45.100 -0.024 0.000 0.919 543 G HN 0.471 nan 8.290 nan 0.000 0.508 544 G N 0.077 108.820 108.800 -0.096 0.000 2.551 544 G HA2 -0.137 3.822 3.960 -0.000 0.000 0.216 544 G HA3 -0.137 3.822 3.960 -0.000 0.000 0.216 544 G C 1.569 176.310 174.900 -0.265 0.000 1.137 544 G CA 0.961 45.745 45.100 -0.526 0.000 0.798 544 G HN 0.492 nan 8.290 nan 0.000 0.536 545 N N 0.751 119.527 118.700 0.127 0.000 2.519 545 N HA -0.084 4.656 4.740 -0.000 0.000 0.186 545 N C 1.767 177.309 175.510 0.053 0.000 1.062 545 N CA 1.067 54.222 53.050 0.174 0.000 0.910 545 N CB -0.162 38.376 38.487 0.085 0.000 0.958 545 N HN 0.528 nan 8.380 nan 0.000 0.445 546 E N 0.431 120.624 120.200 -0.011 0.000 1.995 546 E HA -0.352 3.998 4.350 -0.000 0.000 0.207 546 E C 1.597 178.194 176.600 -0.006 0.000 1.016 546 E CA 1.605 57.995 56.400 -0.017 0.000 0.865 546 E CB -0.389 29.285 29.700 -0.043 0.000 0.797 546 E HN 0.358 nan 8.360 nan 0.000 0.491 547 Q N 0.436 120.215 119.800 -0.035 0.000 2.224 547 Q HA -0.215 4.125 4.340 -0.000 0.000 0.213 547 Q C 2.115 178.134 176.000 0.032 0.000 0.998 547 Q CA 2.697 58.492 55.803 -0.014 0.000 0.895 547 Q CB -0.703 28.009 28.738 -0.045 0.000 0.926 547 Q HN 0.388 nan 8.270 nan 0.000 0.417 548 V N -1.601 118.350 119.914 0.063 0.000 2.453 548 V HA -0.151 3.969 4.120 -0.000 0.000 0.247 548 V C 1.473 177.613 176.094 0.076 0.000 1.048 548 V CA 2.221 64.586 62.300 0.109 0.000 1.049 548 V CB -0.586 31.346 31.823 0.181 0.000 0.672 548 V HN 0.299 nan 8.190 nan 0.000 0.457 549 D N 0.084 120.518 120.400 0.057 0.000 2.269 549 D HA -0.096 4.544 4.640 -0.000 0.000 0.208 549 D C 1.990 178.314 176.300 0.040 0.000 0.963 549 D CA 1.318 55.345 54.000 0.046 0.000 0.864 549 D CB 0.099 40.923 40.800 0.040 0.000 0.936 549 D HN 0.566 nan 8.370 nan 0.000 0.505 550 K N 0.724 121.143 120.400 0.033 0.000 2.007 550 K HA -0.035 4.285 4.320 -0.000 0.000 0.206 550 K C 2.373 178.988 176.600 0.024 0.000 1.047 550 K CA 0.378 56.680 56.287 0.025 0.000 0.937 550 K CB -0.026 32.484 32.500 0.016 0.000 0.718 550 K HN 0.015 nan 8.250 nan 0.000 0.438 551 L N 0.950 122.188 121.223 0.026 0.000 2.034 551 L HA -0.188 4.152 4.340 -0.000 0.000 0.217 551 L C 1.482 178.363 176.870 0.018 0.000 1.077 551 L CA 0.884 55.738 54.840 0.022 0.000 0.769 551 L CB -1.146 40.929 42.059 0.028 0.000 0.890 551 L HN -0.076 nan 8.230 nan 0.000 0.435 552 V N 0.000 119.927 119.914 0.022 0.000 2.409 552 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 552 V CA 0.000 62.312 62.300 0.020 0.000 1.235 552 V CB 0.000 31.838 31.823 0.025 0.000 1.184 552 V HN 0.000 nan 8.190 nan 0.000 0.556