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 3nbp_1_A DATA FIRST_RESID 1 DATA SEQUENCE PISPIETVPV KLKPGMDGPK VKQWPLTEEK IKALVEICTE MEKEGKISKI DATA SEQUENCE GPENPYNTPV FAIKXXXSTK WRKLVDFREL NKRTQDFWEV QLGIPHPAGL DATA SEQUENCE KKKKSVTVLD VGDAYFSVPL DEDFRKYTAF TIPSINNETP GIRYQYNVLP DATA SEQUENCE QGWKGSPAIF QSSMTKILEP FRKQNPDIVI YQYMDDLYVG SDLEIGQHRT DATA SEQUENCE KIEELRQHLL RWGLTTPDKK HQKEPPFLWM GYELHPDKWT VQPIVLPEKD DATA SEQUENCE SWTVNDIQKL VGKLNWASQI YPGIKVRQLC 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 RGRQKVVTLT DTTNQKTELQ AIYLALQDSG LEVNIVTDSQ DATA SEQUENCE YALGIIQAQP DQSESELVNQ IIEQLIKKEK VYLAWVPAHK GIGGNEQVDK DATA SEQUENCE LVSAGIR 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 0.000 177.362 177.300 0.103 0.000 1.155 1 P CA 0.000 63.146 63.100 0.077 0.000 0.800 1 P CB 0.000 31.736 31.700 0.059 0.000 0.726 2 I N 0.816 121.440 120.570 0.091 0.000 2.297 2 I HA 0.221 4.391 4.170 0.000 0.000 0.291 2 I C 1.100 177.283 176.117 0.109 0.000 1.033 2 I CA -0.385 60.981 61.300 0.111 0.000 1.253 2 I CB 1.269 39.324 38.000 0.092 0.000 1.396 2 I HN 0.412 nan 8.210 nan 0.000 0.476 3 S N 8.549 124.337 115.700 0.146 0.000 2.599 3 S HA 0.009 4.479 4.470 0.000 0.000 0.303 3 S C -0.842 173.853 174.600 0.158 0.000 1.267 3 S CA -0.805 57.499 58.200 0.173 0.000 1.055 3 S CB 0.573 63.907 63.200 0.222 0.000 0.790 3 S HN 0.517 nan 8.310 nan 0.000 0.500 4 P HA -0.023 nan 4.420 nan 0.000 0.226 4 P C 0.882 178.316 177.300 0.223 0.000 1.153 4 P CA 0.075 63.240 63.100 0.107 0.000 0.777 4 P CB -0.144 31.521 31.700 -0.058 0.000 0.794 5 I N 2.733 123.520 120.570 0.361 0.000 3.076 5 I HA -0.144 4.027 4.170 0.000 0.000 0.321 5 I C 0.973 177.191 176.117 0.168 0.000 1.216 5 I CA 0.635 62.108 61.300 0.289 0.000 1.460 5 I CB 0.015 38.122 38.000 0.179 0.000 1.313 5 I HN 0.189 nan 8.210 nan 0.000 0.546 6 E N 5.057 125.337 120.200 0.134 0.000 2.413 6 E HA 0.084 4.435 4.350 0.000 0.000 0.263 6 E C -0.086 176.563 176.600 0.082 0.000 1.015 6 E CA -0.570 55.888 56.400 0.098 0.000 0.916 6 E CB 0.253 30.003 29.700 0.083 0.000 0.947 6 E HN 0.659 nan 8.360 nan 0.000 0.440 7 T N -0.177 114.426 114.554 0.082 0.000 2.919 7 T HA 0.161 4.511 4.350 0.000 0.000 0.302 7 T C 0.349 175.094 174.700 0.076 0.000 1.031 7 T CA -0.934 61.215 62.100 0.082 0.000 1.127 7 T CB 0.935 69.855 68.868 0.087 0.000 0.952 7 T HN 0.330 nan 8.240 nan 0.000 0.540 8 V N 6.858 126.818 119.914 0.077 0.000 2.470 8 V HA 0.246 4.366 4.120 0.000 0.000 0.276 8 V C -1.581 174.571 176.094 0.098 0.000 1.040 8 V CA -1.526 60.823 62.300 0.082 0.000 1.008 8 V CB 0.209 32.084 31.823 0.087 0.000 0.990 8 V HN 0.862 nan 8.190 nan 0.000 0.477 9 P HA 0.188 nan 4.420 nan 0.000 0.267 9 P C -0.780 176.577 177.300 0.095 0.000 1.205 9 P CA 0.160 63.317 63.100 0.096 0.000 0.765 9 P CB 0.999 32.746 31.700 0.079 0.000 0.828 10 V N 4.251 124.216 119.914 0.085 0.000 2.769 10 V HA 0.495 4.616 4.120 0.000 0.000 0.312 10 V C 0.363 176.518 176.094 0.101 0.000 1.061 10 V CA -0.621 61.668 62.300 -0.017 0.000 0.931 10 V CB 2.240 33.874 31.823 -0.316 0.000 1.010 10 V HN 0.477 nan 8.190 nan 0.000 0.433 11 K N 2.177 122.623 120.400 0.076 0.000 2.395 11 K HA 0.738 5.058 4.320 0.000 0.000 0.245 11 K C -1.174 175.561 176.600 0.225 0.000 1.017 11 K CA -0.881 55.523 56.287 0.196 0.000 0.852 11 K CB 2.421 34.967 32.500 0.077 0.000 1.311 11 K HN 0.395 nan 8.250 nan 0.000 0.452 12 L N 1.040 122.349 121.223 0.144 0.000 2.488 12 L HA 0.360 4.701 4.340 0.000 0.000 0.249 12 L C 0.288 177.161 176.870 0.005 0.000 1.151 12 L CA -0.678 54.194 54.840 0.053 0.000 0.806 12 L CB 0.392 42.350 42.059 -0.168 0.000 1.261 12 L HN 0.352 nan 8.230 nan 0.000 0.484 13 K N 1.587 121.982 120.400 -0.009 0.000 2.350 13 K HA 0.164 4.484 4.320 0.000 0.000 0.279 13 K C -2.223 174.368 176.600 -0.014 0.000 1.027 13 K CA -1.492 54.784 56.287 -0.019 0.000 0.969 13 K CB 0.366 32.860 32.500 -0.011 0.000 0.954 13 K HN 0.269 nan 8.250 nan 0.000 0.474 14 P HA -0.085 nan 4.420 nan 0.000 0.262 14 P C 0.430 177.731 177.300 0.002 0.000 1.182 14 P CA 0.589 63.687 63.100 -0.003 0.000 0.761 14 P CB 0.524 32.222 31.700 -0.004 0.000 0.795 15 G N 1.945 110.750 108.800 0.009 0.000 2.143 15 G HA2 -0.237 3.723 3.960 0.000 0.000 0.249 15 G HA3 -0.237 3.723 3.960 0.000 0.000 0.249 15 G C 0.004 174.913 174.900 0.015 0.000 0.981 15 G CA -0.001 45.108 45.100 0.014 0.000 0.665 15 G HN 0.503 nan 8.290 nan 0.000 0.528 16 M N -0.202 119.401 119.600 0.006 0.000 2.602 16 M HA 0.570 5.050 4.480 0.000 0.000 0.312 16 M C -0.754 175.537 176.300 -0.015 0.000 1.181 16 M CA -0.810 54.491 55.300 0.001 0.000 0.910 16 M CB 2.025 34.620 32.600 -0.008 0.000 1.723 16 M HN 0.130 nan 8.290 nan 0.000 0.459 17 D N 0.338 120.741 120.400 0.005 0.000 2.350 17 D HA 0.582 5.223 4.640 0.000 0.000 0.238 17 D C 0.001 176.280 176.300 -0.036 0.000 0.989 17 D CA -0.035 53.977 54.000 0.021 0.000 0.921 17 D CB 1.710 42.598 40.800 0.146 0.000 1.297 17 D HN 0.686 nan 8.370 nan 0.000 0.490 18 G N 1.021 109.731 108.800 -0.150 0.000 2.720 18 G HA2 0.236 4.196 3.960 0.000 0.000 0.237 18 G HA3 0.236 4.196 3.960 0.000 0.000 0.237 18 G C -2.126 172.833 174.900 0.099 0.000 1.239 18 G CA -0.779 44.155 45.100 -0.277 0.000 0.847 18 G HN 0.491 nan 8.290 nan 0.000 0.593 19 P HA 0.240 nan 4.420 nan 0.000 0.275 19 P C -0.773 176.702 177.300 0.292 0.000 1.227 19 P CA -0.057 63.158 63.100 0.193 0.000 0.781 19 P CB 1.071 32.876 31.700 0.174 0.000 0.906 20 K N 1.683 122.212 120.400 0.215 0.000 3.271 20 K HA 0.270 4.590 4.320 0.000 0.000 0.192 20 K C -0.616 176.059 176.600 0.124 0.000 1.108 20 K CA -0.435 55.958 56.287 0.177 0.000 0.902 20 K CB 0.882 33.469 32.500 0.145 0.000 0.889 20 K HN 0.211 nan 8.250 nan 0.000 0.520 21 V N 1.296 121.286 119.914 0.127 0.000 2.583 21 V HA 0.167 4.288 4.120 0.000 0.000 0.287 21 V C 0.479 176.636 176.094 0.106 0.000 1.051 21 V CA -0.649 61.715 62.300 0.107 0.000 1.010 21 V CB 1.097 32.980 31.823 0.100 0.000 0.988 21 V HN 0.322 nan 8.190 nan 0.000 0.478 22 K N 3.163 123.625 120.400 0.103 0.000 2.297 22 K HA 0.221 4.541 4.320 0.000 0.000 0.286 22 K C 0.016 176.701 176.600 0.142 0.000 1.053 22 K CA -0.521 55.831 56.287 0.108 0.000 0.940 22 K CB 0.760 33.320 32.500 0.101 0.000 1.019 22 K HN 0.749 nan 8.250 nan 0.000 0.475 23 Q N 5.356 125.236 119.800 0.134 0.000 2.281 23 Q HA -0.035 4.306 4.340 0.000 0.000 0.267 23 Q C -1.048 175.068 176.000 0.194 0.000 1.053 23 Q CA -0.134 55.769 55.803 0.166 0.000 0.905 23 Q CB 0.417 29.236 28.738 0.136 0.000 1.195 23 Q HN 0.557 nan 8.270 nan 0.000 0.398 24 W N 7.294 128.628 121.300 0.057 0.000 2.210 24 W HA 0.252 4.912 4.660 0.000 0.000 0.330 24 W C -2.397 174.160 176.519 0.063 0.000 1.334 24 W CA -2.118 55.260 57.345 0.055 0.000 1.227 24 W CB 0.685 30.178 29.460 0.055 0.000 1.178 24 W HN 0.572 nan 8.180 nan 0.000 0.560 25 P HA 0.027 nan 4.420 nan 0.000 0.261 25 P C -0.467 176.692 177.300 -0.235 0.000 1.203 25 P CA 0.649 63.498 63.100 -0.417 0.000 0.767 25 P CB 0.318 31.704 31.700 -0.524 0.000 0.785 26 L N 2.134 123.353 121.223 -0.007 0.000 2.416 26 L HA 0.367 4.707 4.340 0.000 0.000 0.262 26 L C 1.272 178.160 176.870 0.031 0.000 1.093 26 L CA -0.573 54.327 54.840 0.100 0.000 0.801 26 L CB 0.689 42.811 42.059 0.106 0.000 1.191 26 L HN 0.226 nan 8.230 nan 0.000 0.459 27 T N 0.103 114.687 114.554 0.051 0.000 2.900 27 T HA -0.012 4.339 4.350 0.000 0.000 0.307 27 T C 1.165 175.845 174.700 -0.033 0.000 1.065 27 T CA -0.095 62.019 62.100 0.023 0.000 1.105 27 T CB 0.607 69.513 68.868 0.063 0.000 0.979 27 T HN 0.626 nan 8.240 nan 0.000 0.544 28 E N 1.715 121.898 120.200 -0.027 0.000 2.085 28 E HA -0.193 4.157 4.350 0.000 0.000 0.194 28 E C 1.978 178.525 176.600 -0.089 0.000 0.994 28 E CA 1.567 57.939 56.400 -0.048 0.000 0.801 28 E CB 0.075 29.760 29.700 -0.025 0.000 0.743 28 E HN 0.701 nan 8.360 nan 0.000 0.453 29 E N 1.036 121.191 120.200 -0.076 0.000 2.038 29 E HA -0.190 4.160 4.350 0.000 0.000 0.195 29 E C 2.046 178.385 176.600 -0.435 0.000 1.000 29 E CA 1.143 57.466 56.400 -0.128 0.000 0.803 29 E CB -0.046 29.697 29.700 0.073 0.000 0.750 29 E HN 0.121 nan 8.360 nan 0.000 0.448 30 K N 0.581 120.731 120.400 -0.415 0.000 2.009 30 K HA -0.165 4.155 4.320 0.000 0.000 0.210 30 K C 2.296 178.667 176.600 -0.381 0.000 1.049 30 K CA 1.402 57.369 56.287 -0.533 0.000 0.929 30 K CB -0.361 31.968 32.500 -0.285 0.000 0.714 30 K HN 0.151 nan 8.250 nan 0.000 0.440 31 I N 1.422 121.865 120.570 -0.212 0.000 2.163 31 I HA -0.312 3.858 4.170 0.000 0.000 0.243 31 I C 2.685 178.703 176.117 -0.164 0.000 1.085 31 I CA 1.335 62.552 61.300 -0.137 0.000 1.347 31 I CB -0.316 37.637 38.000 -0.078 0.000 1.044 31 I HN 0.186 nan 8.210 nan 0.000 0.408 32 K N 1.263 121.546 120.400 -0.195 0.000 2.097 32 K HA -0.200 4.120 4.320 0.000 0.000 0.206 32 K C 2.183 178.632 176.600 -0.252 0.000 1.049 32 K CA 1.580 57.760 56.287 -0.178 0.000 0.933 32 K CB -0.069 32.344 32.500 -0.145 0.000 0.717 32 K HN 0.333 nan 8.250 nan 0.000 0.442 33 A N 1.383 123.918 122.820 -0.474 0.000 1.872 33 A HA -0.079 4.241 4.320 0.000 0.000 0.214 33 A C 2.152 179.540 177.584 -0.326 0.000 1.187 33 A CA 0.968 52.639 52.037 -0.611 0.000 0.614 33 A CB -0.530 17.595 19.000 -1.459 0.000 0.826 33 A HN 0.277 nan 8.150 nan 0.000 0.442 34 L N -0.260 120.801 121.223 -0.271 0.000 2.017 34 L HA -0.182 4.158 4.340 0.000 0.000 0.208 34 L C 2.570 179.402 176.870 -0.062 0.000 1.073 34 L CA 1.346 56.114 54.840 -0.120 0.000 0.745 34 L CB -0.694 41.325 42.059 -0.065 0.000 0.894 34 L HN 0.264 nan 8.230 nan 0.000 0.432 35 V N -0.131 119.748 119.914 -0.058 0.000 2.295 35 V HA -0.314 3.806 4.120 0.000 0.000 0.246 35 V C 2.460 178.541 176.094 -0.021 0.000 1.049 35 V CA 2.073 64.366 62.300 -0.012 0.000 1.024 35 V CB -0.599 31.222 31.823 -0.004 0.000 0.648 35 V HN 0.514 nan 8.190 nan 0.000 0.447 36 E N 0.101 120.274 120.200 -0.046 0.000 2.058 36 E HA -0.250 4.100 4.350 0.000 0.000 0.194 36 E C 2.212 178.801 176.600 -0.018 0.000 0.997 36 E CA 1.923 58.305 56.400 -0.030 0.000 0.801 36 E CB -0.192 29.483 29.700 -0.042 0.000 0.746 36 E HN 0.601 nan 8.360 nan 0.000 0.450 37 I N 0.371 120.924 120.570 -0.028 0.000 2.142 37 I HA -0.358 3.813 4.170 0.000 0.000 0.240 37 I C 2.598 178.695 176.117 -0.033 0.000 1.078 37 I CA 0.995 62.291 61.300 -0.006 0.000 1.343 37 I CB -0.202 37.800 38.000 0.003 0.000 1.046 37 I HN 0.364 nan 8.210 nan 0.000 0.405 38 C N -0.077 119.173 119.300 -0.084 0.000 2.440 38 C HA -0.145 4.315 4.460 0.000 0.000 0.278 38 C C 2.979 177.869 174.990 -0.166 0.000 1.295 38 C CA 1.326 60.207 59.018 -0.229 0.000 1.738 38 C CB -1.106 26.388 27.740 -0.410 0.000 1.987 38 C HN 0.513 nan 8.230 nan 0.000 0.492 39 T N 0.141 114.672 114.554 -0.039 0.000 2.652 39 T HA -0.213 4.138 4.350 0.000 0.000 0.267 39 T C 1.827 176.531 174.700 0.006 0.000 1.039 39 T CA 1.537 63.648 62.100 0.019 0.000 1.153 39 T CB -0.334 68.552 68.868 0.029 0.000 0.863 39 T HN 0.626 nan 8.240 nan 0.000 0.428 40 E N 0.147 120.349 120.200 0.002 0.000 2.153 40 E HA -0.085 4.265 4.350 0.000 0.000 0.194 40 E C 2.180 178.787 176.600 0.010 0.000 0.988 40 E CA 0.866 57.274 56.400 0.014 0.000 0.811 40 E CB -0.099 29.616 29.700 0.025 0.000 0.746 40 E HN 0.504 nan 8.360 nan 0.000 0.466 41 M N -0.058 119.531 119.600 -0.018 0.000 2.156 41 M HA -0.112 4.368 4.480 0.000 0.000 0.264 41 M C 2.275 178.541 176.300 -0.058 0.000 1.067 41 M CA 1.025 56.298 55.300 -0.045 0.000 1.131 41 M CB -0.118 32.413 32.600 -0.116 0.000 1.368 41 M HN 0.053 nan 8.290 nan 0.000 0.416 42 E N 0.808 120.980 120.200 -0.047 0.000 2.077 42 E HA -0.226 4.124 4.350 0.000 0.000 0.193 42 E C 1.713 178.327 176.600 0.023 0.000 0.989 42 E CA 1.377 57.789 56.400 0.021 0.000 0.800 42 E CB 0.136 29.909 29.700 0.123 0.000 0.746 42 E HN 0.352 nan 8.360 nan 0.000 0.452 43 K N 0.284 120.696 120.400 0.020 0.000 2.280 43 K HA -0.121 4.199 4.320 0.000 0.000 0.202 43 K C 1.527 178.137 176.600 0.017 0.000 1.047 43 K CA 1.117 57.416 56.287 0.019 0.000 0.942 43 K CB 0.102 32.614 32.500 0.020 0.000 0.739 43 K HN 0.140 nan 8.250 nan 0.000 0.457 44 E N -1.050 119.159 120.200 0.015 0.000 2.474 44 E HA 0.082 4.432 4.350 0.000 0.000 0.195 44 E C 0.575 177.184 176.600 0.015 0.000 1.039 44 E CA 0.240 56.653 56.400 0.022 0.000 0.881 44 E CB 0.752 30.475 29.700 0.038 0.000 0.970 44 E HN 0.389 nan 8.360 nan 0.000 0.486 45 G N 2.153 110.955 108.800 0.003 0.000 2.153 45 G HA2 -0.319 3.641 3.960 0.000 0.000 0.252 45 G HA3 -0.319 3.641 3.960 0.000 0.000 0.252 45 G C 1.029 175.917 174.900 -0.020 0.000 0.994 45 G CA 0.661 45.762 45.100 0.000 0.000 0.698 45 G HN 0.090 nan 8.290 nan 0.000 0.521 46 K N -0.221 120.141 120.400 -0.064 0.000 2.155 46 K HA 0.158 4.478 4.320 0.000 0.000 0.203 46 K C 1.691 178.163 176.600 -0.213 0.000 1.052 46 K CA 1.670 57.866 56.287 -0.152 0.000 0.948 46 K CB -0.119 32.221 32.500 -0.266 0.000 0.728 46 K HN 0.902 nan 8.250 nan 0.000 0.448 47 I N -3.266 117.194 120.570 -0.182 0.000 3.145 47 I HA 0.459 4.630 4.170 0.000 0.000 0.313 47 I C -0.852 175.285 176.117 0.034 0.000 1.122 47 I CA -0.982 60.234 61.300 -0.139 0.000 0.987 47 I CB 2.528 40.368 38.000 -0.267 0.000 1.236 47 I HN -0.338 nan 8.210 nan 0.000 0.453 48 S N 1.399 117.163 115.700 0.108 0.000 2.575 48 S HA 0.392 4.862 4.470 0.000 0.000 0.278 48 S C -0.853 173.734 174.600 -0.021 0.000 1.139 48 S CA -0.892 57.347 58.200 0.065 0.000 0.954 48 S CB 1.872 65.075 63.200 0.005 0.000 1.054 48 S HN 0.495 nan 8.310 nan 0.000 0.483 49 K N 2.070 122.347 120.400 -0.205 0.000 2.436 49 K HA 0.325 4.646 4.320 0.000 0.000 0.275 49 K C -0.148 176.273 176.600 -0.299 0.000 0.999 49 K CA 0.234 56.219 56.287 -0.503 0.000 0.980 49 K CB 0.090 32.319 32.500 -0.452 0.000 0.919 49 K HN 0.577 nan 8.250 nan 0.000 0.484 50 I N -1.737 118.642 120.570 -0.318 0.000 3.145 50 I HA 0.601 4.771 4.170 0.000 0.000 0.313 50 I C 0.157 176.165 176.117 -0.182 0.000 1.122 50 I CA -0.948 60.233 61.300 -0.198 0.000 0.987 50 I CB 1.974 39.888 38.000 -0.144 0.000 1.236 50 I HN 0.499 nan 8.210 nan 0.000 0.453 51 G N 0.511 109.231 108.800 -0.133 0.000 2.642 51 G HA2 0.657 4.618 3.960 0.000 0.000 0.291 51 G HA3 0.657 4.618 3.960 0.000 0.000 0.291 51 G C -2.263 172.575 174.900 -0.102 0.000 1.345 51 G CA -1.377 43.655 45.100 -0.114 0.000 1.043 51 G HN 0.577 nan 8.290 nan 0.000 0.528 52 P HA 0.114 nan 4.420 nan 0.000 0.255 52 P C 0.554 177.802 177.300 -0.087 0.000 1.301 52 P CA 0.278 63.327 63.100 -0.084 0.000 0.817 52 P CB 0.345 32.002 31.700 -0.072 0.000 1.259 53 E N -0.811 119.337 120.200 -0.086 0.000 2.150 53 E HA -0.109 4.241 4.350 0.000 0.000 0.193 53 E C 1.086 177.622 176.600 -0.106 0.000 0.985 53 E CA 0.591 56.941 56.400 -0.084 0.000 0.814 53 E CB -0.852 28.805 29.700 -0.072 0.000 0.752 53 E HN 0.140 nan 8.360 nan 0.000 0.466 54 N N 1.175 119.808 118.700 -0.113 0.000 2.444 54 N HA 0.077 4.817 4.740 0.000 0.000 0.271 54 N C -1.992 173.396 175.510 -0.204 0.000 1.069 54 N CA -1.619 51.348 53.050 -0.138 0.000 0.965 54 N CB 1.226 39.666 38.487 -0.079 0.000 1.092 54 N HN -0.090 nan 8.380 nan 0.000 0.476 55 P HA 0.194 nan 4.420 nan 0.000 0.268 55 P C -1.014 176.027 177.300 -0.432 0.000 1.329 55 P CA 0.102 62.942 63.100 -0.432 0.000 0.899 55 P CB -0.019 31.374 31.700 -0.511 0.000 1.378 56 Y N 0.582 120.888 120.300 0.010 0.000 2.342 56 Y HA 0.603 5.153 4.550 0.000 0.000 0.334 56 Y C 0.678 176.616 175.900 0.062 0.000 1.067 56 Y CA -0.951 57.180 58.100 0.052 0.000 1.128 56 Y CB 0.925 39.431 38.460 0.075 0.000 1.200 56 Y HN -0.182 nan 8.280 nan 0.000 0.464 57 N N 0.199 119.044 118.700 0.242 0.000 2.264 57 N HA 0.578 5.318 4.740 0.000 0.000 0.288 57 N C -1.727 173.891 175.510 0.180 0.000 1.094 57 N CA -0.476 52.684 53.050 0.184 0.000 0.817 57 N CB 1.847 40.408 38.487 0.124 0.000 1.604 57 N HN 0.558 nan 8.380 nan 0.000 0.473 58 T N 2.772 117.432 114.554 0.176 0.000 2.861 58 T HA 0.557 4.907 4.350 0.000 0.000 0.287 58 T C -2.823 171.935 174.700 0.098 0.000 1.003 58 T CA -1.101 61.060 62.100 0.102 0.000 0.977 58 T CB 1.963 70.854 68.868 0.038 0.000 0.996 58 T HN 0.365 nan 8.240 nan 0.000 0.448 59 P HA 0.375 nan 4.420 nan 0.000 0.280 59 P C -0.699 176.640 177.300 0.064 0.000 1.244 59 P CA -0.484 62.673 63.100 0.095 0.000 0.784 59 P CB 0.522 32.278 31.700 0.092 0.000 0.913 60 V N 2.888 122.890 119.914 0.147 0.000 2.834 60 V HA 0.625 4.745 4.120 0.000 0.000 0.313 60 V C -0.119 176.132 176.094 0.262 0.000 1.060 60 V CA -0.635 61.748 62.300 0.139 0.000 0.989 60 V CB 1.190 33.111 31.823 0.162 0.000 1.041 60 V HN 0.510 nan 8.190 nan 0.000 0.459 61 F N 0.217 120.193 119.950 0.043 0.000 2.685 61 F HA 0.834 5.361 4.527 0.000 0.000 0.315 61 F C -0.494 175.357 175.800 0.085 0.000 1.126 61 F CA -0.488 57.555 58.000 0.072 0.000 0.950 61 F CB 1.904 40.942 39.000 0.063 0.000 1.360 61 F HN 0.790 nan 8.300 nan 0.000 0.469 62 A N 3.414 125.802 122.820 -0.721 0.000 2.475 62 A HA 0.848 5.168 4.320 0.000 0.000 0.301 62 A C -1.982 175.470 177.584 -0.220 0.000 1.059 62 A CA -0.612 51.251 52.037 -0.289 0.000 0.710 62 A CB 1.658 20.506 19.000 -0.253 0.000 1.288 62 A HN 0.820 nan 8.150 nan 0.000 0.408 63 I N 0.307 120.987 120.570 0.183 0.000 2.994 63 I HA 0.473 4.644 4.170 0.000 0.000 0.306 63 I C -0.573 175.473 176.117 -0.118 0.000 1.195 63 I CA -0.578 60.765 61.300 0.072 0.000 1.001 63 I CB 2.408 40.464 38.000 0.094 0.000 1.244 63 I HN 0.792 nan 8.210 nan 0.000 0.437 69 T N 3.017 117.479 114.554 -0.152 0.000 3.037 69 T HA 0.305 4.655 4.350 0.000 0.000 0.252 69 T C 0.486 175.067 174.700 -0.199 0.000 1.073 69 T CA 0.600 62.599 62.100 -0.167 0.000 1.091 69 T CB -0.131 68.686 68.868 -0.085 0.000 0.935 69 T HN 0.548 nan 8.240 nan 0.000 0.488 70 K N 1.042 121.355 120.400 -0.146 0.000 2.401 70 K HA 0.153 4.474 4.320 0.000 0.000 0.278 70 K C -1.142 175.379 176.600 -0.131 0.000 1.018 70 K CA -0.133 56.107 56.287 -0.077 0.000 0.981 70 K CB 0.527 33.007 32.500 -0.034 0.000 0.933 70 K HN 0.329 nan 8.250 nan 0.000 0.477 71 W N 2.577 123.863 121.300 -0.024 0.000 2.433 71 W HA 0.290 4.950 4.660 0.000 0.000 0.315 71 W C 0.309 176.811 176.519 -0.028 0.000 1.087 71 W CA -0.684 56.641 57.345 -0.034 0.000 1.205 71 W CB 1.146 30.585 29.460 -0.034 0.000 1.288 71 W HN 0.239 nan 8.180 nan 0.000 0.504 72 R N 2.936 123.596 120.500 0.267 0.000 2.494 72 R HA 0.248 4.588 4.340 0.000 0.000 0.305 72 R C -0.276 176.115 176.300 0.151 0.000 0.959 72 R CA -1.156 55.037 56.100 0.155 0.000 0.864 72 R CB 1.943 32.292 30.300 0.082 0.000 1.159 72 R HN 0.255 nan 8.270 nan 0.000 0.446 73 K N 4.605 125.075 120.400 0.117 0.000 2.310 73 K HA 0.172 4.492 4.320 0.000 0.000 0.290 73 K C -0.860 175.808 176.600 0.114 0.000 1.077 73 K CA -0.155 56.189 56.287 0.094 0.000 0.922 73 K CB 0.448 32.997 32.500 0.081 0.000 1.057 73 K HN 0.499 nan 8.250 nan 0.000 0.479 74 L N 5.599 126.904 121.223 0.136 0.000 2.264 74 L HA 0.253 4.594 4.340 0.000 0.000 0.287 74 L C -0.730 176.210 176.870 0.116 0.000 1.039 74 L CA -0.779 54.166 54.840 0.176 0.000 0.829 74 L CB 1.565 43.814 42.059 0.318 0.000 1.211 74 L HN 0.278 nan 8.230 nan 0.000 0.427 75 V N 1.722 121.663 119.914 0.044 0.000 2.427 75 V HA 0.225 4.345 4.120 0.000 0.000 0.286 75 V C -0.245 175.705 176.094 -0.241 0.000 1.034 75 V CA -0.710 61.473 62.300 -0.194 0.000 0.893 75 V CB 1.720 33.273 31.823 -0.450 0.000 0.982 75 V HN 0.565 nan 8.190 nan 0.000 0.452 76 D N 2.715 122.943 120.400 -0.287 0.000 2.500 76 D HA 0.348 4.988 4.640 0.000 0.000 0.219 76 D C 0.393 176.581 176.300 -0.186 0.000 1.137 76 D CA -0.210 53.700 54.000 -0.150 0.000 0.946 76 D CB 0.124 40.881 40.800 -0.072 0.000 1.022 76 D HN 0.438 nan 8.370 nan 0.000 0.518 77 F N 1.481 121.501 119.950 0.116 0.000 2.802 77 F HA 0.159 4.686 4.527 0.000 0.000 0.300 77 F C 2.276 178.161 175.800 0.141 0.000 1.168 77 F CA -0.231 57.865 58.000 0.161 0.000 1.433 77 F CB -0.006 39.136 39.000 0.236 0.000 1.115 77 F HN 0.247 nan 8.300 nan 0.000 0.582 78 R N 0.567 121.186 120.500 0.198 0.000 2.191 78 R HA -0.258 4.082 4.340 0.000 0.000 0.248 78 R C 2.110 178.495 176.300 0.141 0.000 1.127 78 R CA 2.112 58.292 56.100 0.134 0.000 0.943 78 R CB -0.403 29.938 30.300 0.069 0.000 0.891 78 R HN 0.254 nan 8.270 nan 0.000 0.439 79 E N 0.426 120.708 120.200 0.137 0.000 2.047 79 E HA -0.166 4.185 4.350 0.000 0.000 0.191 79 E C 2.010 178.714 176.600 0.174 0.000 0.987 79 E CA 0.808 57.287 56.400 0.132 0.000 0.799 79 E CB -0.368 29.399 29.700 0.112 0.000 0.752 79 E HN 0.158 nan 8.360 nan 0.000 0.449 80 L N 2.261 123.637 121.223 0.256 0.000 2.012 80 L HA -0.192 4.148 4.340 0.000 0.000 0.210 80 L C 1.563 178.644 176.870 0.351 0.000 1.073 80 L CA 1.753 56.786 54.840 0.322 0.000 0.748 80 L CB -0.736 41.603 42.059 0.467 0.000 0.891 80 L HN 0.017 nan 8.230 nan 0.000 0.431 81 N N 0.184 119.089 118.700 0.342 0.000 2.149 81 N HA -0.228 4.512 4.740 0.000 0.000 0.188 81 N C 1.811 177.402 175.510 0.134 0.000 1.019 81 N CA 1.677 54.855 53.050 0.213 0.000 0.857 81 N CB -0.327 38.241 38.487 0.135 0.000 0.997 81 N HN 0.467 nan 8.380 nan 0.000 0.426 82 K N 0.610 121.082 120.400 0.120 0.000 2.097 82 K HA -0.012 4.308 4.320 0.000 0.000 0.206 82 K C 2.057 178.700 176.600 0.071 0.000 1.049 82 K CA 1.018 57.351 56.287 0.077 0.000 0.933 82 K CB 0.016 32.557 32.500 0.068 0.000 0.717 82 K HN 0.082 nan 8.250 nan 0.000 0.442 83 R N -0.040 120.518 120.500 0.096 0.000 2.240 83 R HA 0.011 4.351 4.340 0.000 0.000 0.203 83 R C 0.950 177.303 176.300 0.088 0.000 1.011 83 R CA 0.529 56.668 56.100 0.065 0.000 1.007 83 R CB 0.260 30.580 30.300 0.034 0.000 0.911 83 R HN 0.066 nan 8.270 nan 0.000 0.468 84 T N 0.399 115.058 114.554 0.175 0.000 2.913 84 T HA 0.101 4.451 4.350 0.000 0.000 0.287 84 T C 0.043 174.759 174.700 0.026 0.000 1.008 84 T CA -0.918 61.312 62.100 0.216 0.000 1.067 84 T CB 1.007 70.201 68.868 0.543 0.000 0.996 84 T HN 0.247 nan 8.240 nan 0.000 0.513 85 Q N 2.921 122.664 119.800 -0.095 0.000 2.479 85 Q HA 0.174 4.514 4.340 0.000 0.000 0.267 85 Q C -0.626 175.105 176.000 -0.448 0.000 1.071 85 Q CA -0.319 55.317 55.803 -0.278 0.000 0.935 85 Q CB 0.286 28.798 28.738 -0.376 0.000 1.295 85 Q HN 0.546 nan 8.270 nan 0.000 0.476 86 D N 0.587 120.776 120.400 -0.352 0.000 2.329 86 D HA 0.335 4.976 4.640 0.000 0.000 0.246 86 D C -0.645 175.377 176.300 -0.465 0.000 1.111 86 D CA 0.014 53.856 54.000 -0.264 0.000 0.941 86 D CB 0.536 41.275 40.800 -0.102 0.000 1.169 86 D HN 0.381 nan 8.370 nan 0.000 0.441 87 F N -0.627 119.281 119.950 -0.071 0.000 2.639 87 F HA 0.305 4.833 4.527 0.001 0.000 0.339 87 F C 0.414 176.251 175.800 0.062 0.000 1.071 87 F CA -1.249 56.736 58.000 -0.025 0.000 0.994 87 F CB 1.078 40.013 39.000 -0.108 0.000 1.341 87 F HN 0.251 nan 8.300 nan 0.000 0.498 88 W N 1.719 123.101 121.300 0.137 0.000 2.190 88 W HA 0.184 4.844 4.660 0.001 0.000 0.330 88 W C -0.210 176.339 176.519 0.050 0.000 1.299 88 W CA -0.432 56.950 57.345 0.062 0.000 1.215 88 W CB 0.864 30.350 29.460 0.043 0.000 1.147 88 W HN 0.445 nan 8.180 nan 0.000 0.563 89 E N 3.002 122.530 120.200 -1.121 0.000 2.406 89 E HA -0.015 4.335 4.350 0.000 0.000 0.258 89 E C 1.037 177.225 176.600 -0.686 0.000 1.043 89 E CA 0.188 56.067 56.400 -0.867 0.000 0.929 89 E CB 0.865 30.017 29.700 -0.913 0.000 0.969 89 E HN 0.353 nan 8.360 nan 0.000 0.462 90 V N 3.722 123.459 119.914 -0.295 0.000 2.236 90 V HA -0.282 3.838 4.120 0.000 0.000 0.255 90 V C 1.016 177.079 176.094 -0.052 0.000 1.068 90 V CA 1.815 64.042 62.300 -0.121 0.000 1.044 90 V CB -0.402 31.372 31.823 -0.081 0.000 0.653 90 V HN 0.661 nan 8.190 nan 0.000 0.448 91 Q N -1.792 117.981 119.800 -0.044 0.000 2.359 91 Q HA 0.369 4.709 4.340 0.000 0.000 0.274 91 Q C 0.108 176.110 176.000 0.004 0.000 1.074 91 Q CA -0.606 55.227 55.803 0.049 0.000 0.810 91 Q CB 2.408 31.247 28.738 0.168 0.000 1.342 91 Q HN 0.217 nan 8.270 nan 0.000 0.427 92 L N 0.920 122.173 121.223 0.051 0.000 2.418 92 L HA 0.278 4.618 4.340 0.000 0.000 0.218 92 L C 0.493 177.390 176.870 0.046 0.000 1.125 92 L CA 1.269 56.129 54.840 0.035 0.000 0.835 92 L CB 0.345 42.463 42.059 0.098 0.000 0.953 92 L HN 0.702 nan 8.230 nan 0.000 0.454 93 G N -1.672 107.173 108.800 0.075 0.000 2.488 93 G HA2 0.403 4.363 3.960 0.000 0.000 0.301 93 G HA3 0.403 4.363 3.960 0.000 0.000 0.301 93 G C -1.743 173.219 174.900 0.103 0.000 1.339 93 G CA -0.629 44.514 45.100 0.070 0.000 0.803 93 G HN -0.112 nan 8.290 nan 0.000 0.482 94 I N 1.367 121.983 120.570 0.075 0.000 2.465 94 I HA 0.355 4.525 4.170 0.000 0.000 0.291 94 I C -2.011 174.131 176.117 0.042 0.000 1.014 94 I CA -1.870 59.475 61.300 0.075 0.000 1.093 94 I CB 2.481 40.486 38.000 0.008 0.000 1.267 94 I HN 0.205 nan 8.210 nan 0.000 0.431 95 P HA 0.003 nan 4.420 nan 0.000 0.266 95 P C -0.829 176.426 177.300 -0.075 0.000 1.195 95 P CA 0.149 63.180 63.100 -0.116 0.000 0.768 95 P CB 0.265 31.720 31.700 -0.409 0.000 0.838 96 H N 4.041 122.948 119.070 -0.272 0.000 2.489 96 H HA 0.163 4.719 4.556 0.000 0.000 0.322 96 H C -1.686 173.308 175.328 -0.556 0.000 1.091 96 H CA -2.061 53.746 56.048 -0.402 0.000 1.291 96 H CB 1.495 31.006 29.762 -0.420 0.000 1.436 96 H HN 0.223 nan 8.280 nan 0.000 0.480 97 P HA -0.165 nan 4.420 nan 0.000 0.217 97 P C 1.064 177.961 177.300 -0.672 0.000 1.148 97 P CA 1.815 64.283 63.100 -1.053 0.000 0.834 97 P CB 0.122 30.707 31.700 -1.859 0.000 0.783 98 A N -0.639 121.944 122.820 -0.394 0.000 2.125 98 A HA -0.021 4.299 4.320 0.000 0.000 0.219 98 A C 2.267 180.085 177.584 0.390 0.000 1.156 98 A CA 1.822 53.981 52.037 0.204 0.000 0.671 98 A CB -1.465 17.796 19.000 0.434 0.000 0.794 98 A HN 0.332 nan 8.150 nan 0.000 0.459 99 G N -1.095 107.713 108.800 0.014 0.000 2.796 99 G HA2 0.341 4.301 3.960 0.000 0.000 0.210 99 G HA3 0.341 4.301 3.960 0.000 0.000 0.210 99 G C 0.555 175.529 174.900 0.123 0.000 1.146 99 G CA -0.351 44.714 45.100 -0.058 0.000 0.779 99 G HN 0.376 nan 8.290 nan 0.000 0.535 100 L N 0.821 122.065 121.223 0.036 0.000 2.461 100 L HA 0.282 4.622 4.340 0.000 0.000 0.272 100 L C -0.024 176.871 176.870 0.042 0.000 1.197 100 L CA -0.158 54.639 54.840 -0.072 0.000 0.836 100 L CB 0.722 42.604 42.059 -0.296 0.000 1.105 100 L HN -0.032 nan 8.230 nan 0.000 0.477 101 K N 2.009 122.358 120.400 -0.084 0.000 2.110 101 K HA 0.299 4.619 4.320 0.000 0.000 0.263 101 K C -0.424 176.048 176.600 -0.214 0.000 0.975 101 K CA -0.746 55.508 56.287 -0.056 0.000 0.895 101 K CB 1.056 33.526 32.500 -0.050 0.000 1.060 101 K HN 0.257 nan 8.250 nan 0.000 0.448 102 K N 2.114 122.455 120.400 -0.099 0.000 2.416 102 K HA 0.041 4.362 4.320 0.000 0.000 0.283 102 K C -0.750 175.765 176.600 -0.141 0.000 1.037 102 K CA 0.376 56.599 56.287 -0.107 0.000 0.995 102 K CB 0.339 32.868 32.500 0.048 0.000 0.938 102 K HN 0.295 nan 8.250 nan 0.000 0.475 103 K N 2.945 123.231 120.400 -0.190 0.000 2.422 103 K HA 0.204 4.524 4.320 0.000 0.000 0.251 103 K C 0.288 176.791 176.600 -0.161 0.000 0.933 103 K CA -0.620 55.565 56.287 -0.171 0.000 0.798 103 K CB 1.615 33.996 32.500 -0.198 0.000 1.238 103 K HN 0.328 nan 8.250 nan 0.000 0.428 104 K N 0.089 120.399 120.400 -0.150 0.000 2.057 104 K HA -0.018 4.303 4.320 0.000 0.000 0.207 104 K C -0.080 176.407 176.600 -0.189 0.000 1.049 104 K CA 1.203 57.407 56.287 -0.139 0.000 0.931 104 K CB 0.095 32.527 32.500 -0.113 0.000 0.714 104 K HN 0.710 nan 8.250 nan 0.000 0.440 105 S N -0.352 115.157 115.700 -0.319 0.000 2.546 105 S HA 0.523 4.993 4.470 0.000 0.000 0.274 105 S C -0.580 173.765 174.600 -0.424 0.000 1.121 105 S CA -1.197 56.765 58.200 -0.397 0.000 0.887 105 S CB 2.173 65.079 63.200 -0.490 0.000 1.094 105 S HN -0.032 nan 8.310 nan 0.000 0.474 106 V N -0.850 118.950 119.914 -0.189 0.000 2.864 106 V HA 0.952 5.072 4.120 0.000 0.000 0.314 106 V C -0.582 175.671 176.094 0.264 0.000 1.073 106 V CA -0.643 61.628 62.300 -0.049 0.000 0.956 106 V CB 1.558 33.126 31.823 -0.425 0.000 1.023 106 V HN 1.002 nan 8.190 nan 0.000 0.435 107 T N 1.784 116.523 114.554 0.309 0.000 3.071 107 T HA 0.536 4.886 4.350 0.000 0.000 0.311 107 T C -0.827 174.007 174.700 0.223 0.000 1.042 107 T CA -0.445 61.816 62.100 0.268 0.000 1.028 107 T CB 1.760 70.686 68.868 0.098 0.000 1.068 107 T HN 0.639 nan 8.240 nan 0.000 0.451 108 V N 4.803 124.840 119.914 0.206 0.000 2.328 108 V HA 0.439 4.559 4.120 0.000 0.000 0.278 108 V C -0.278 175.783 176.094 -0.055 0.000 1.021 108 V CA -0.684 61.628 62.300 0.020 0.000 0.838 108 V CB 0.689 32.549 31.823 0.062 0.000 0.999 108 V HN 0.699 nan 8.190 nan 0.000 0.447 109 L N 5.311 126.464 121.223 -0.116 0.000 2.282 109 L HA 0.593 4.933 4.340 0.000 0.000 0.288 109 L C -0.398 176.409 176.870 -0.105 0.000 1.033 109 L CA -0.638 54.150 54.840 -0.087 0.000 0.807 109 L CB 1.647 43.659 42.059 -0.078 0.000 1.209 109 L HN 0.700 nan 8.230 nan 0.000 0.423 110 D N 2.659 123.023 120.400 -0.059 0.000 2.308 110 D HA 0.311 4.951 4.640 0.000 0.000 0.242 110 D C -0.341 175.946 176.300 -0.021 0.000 1.059 110 D CA -0.563 53.408 54.000 -0.049 0.000 0.830 110 D CB 1.782 42.555 40.800 -0.045 0.000 1.161 110 D HN 0.063 nan 8.370 nan 0.000 0.494 111 V N 2.363 122.275 119.914 -0.004 0.000 2.529 111 V HA 0.433 4.553 4.120 0.000 0.000 0.292 111 V C 1.383 177.469 176.094 -0.014 0.000 1.028 111 V CA 0.032 62.352 62.300 0.032 0.000 1.074 111 V CB 0.715 32.623 31.823 0.142 0.000 0.958 111 V HN 0.740 nan 8.190 nan 0.000 0.481 112 G N 2.856 111.660 108.800 0.005 0.000 2.339 112 G HA2 0.376 4.336 3.960 0.000 0.000 0.287 112 G HA3 0.376 4.336 3.960 0.000 0.000 0.287 112 G C 0.096 174.987 174.900 -0.015 0.000 1.163 112 G CA -0.304 44.788 45.100 -0.014 0.000 0.872 112 G HN 0.882 nan 8.290 nan 0.000 0.464 113 D N 1.052 121.408 120.400 -0.073 0.000 2.701 113 D HA -0.284 4.357 4.640 0.000 0.000 0.235 113 D C 1.794 178.058 176.300 -0.059 0.000 1.155 113 D CA 0.935 54.884 54.000 -0.085 0.000 0.649 113 D CB -0.941 39.868 40.800 0.015 0.000 1.050 113 D HN 0.707 nan 8.370 nan 0.000 0.425 114 A N 0.029 122.726 122.820 -0.205 0.000 1.883 114 A HA -0.328 3.992 4.320 0.000 0.000 0.226 114 A C 1.924 179.459 177.584 -0.083 0.000 1.512 114 A CA 2.244 54.067 52.037 -0.357 0.000 0.738 114 A CB -1.304 17.084 19.000 -1.020 0.000 0.848 114 A HN 0.628 nan 8.150 nan 0.000 0.477 115 Y N -2.672 117.467 120.300 -0.268 0.000 2.224 115 Y HA -0.189 4.361 4.550 0.001 0.000 0.289 115 Y C 2.190 178.292 175.900 0.337 0.000 1.146 115 Y CA 0.586 58.704 58.100 0.029 0.000 1.182 115 Y CB -0.264 38.192 38.460 -0.007 0.000 0.983 115 Y HN 0.348 nan 8.280 nan 0.000 0.524 116 F N -0.775 119.283 119.950 0.179 0.000 2.802 116 F HA -0.028 4.499 4.527 0.000 0.000 0.300 116 F C 1.953 177.841 175.800 0.148 0.000 1.168 116 F CA 0.277 58.377 58.000 0.167 0.000 1.433 116 F CB -0.496 38.583 39.000 0.132 0.000 1.115 116 F HN -0.149 nan 8.300 nan 0.000 0.582 117 S N -0.990 114.907 115.700 0.330 0.000 2.540 117 S HA 0.204 4.674 4.470 0.000 0.000 0.218 117 S C 0.447 175.207 174.600 0.266 0.000 0.977 117 S CA 0.060 58.416 58.200 0.259 0.000 0.918 117 S CB 0.448 63.791 63.200 0.238 0.000 0.806 117 S HN -0.137 nan 8.310 nan 0.000 0.496 118 V N 4.391 124.484 119.914 0.299 0.000 2.495 118 V HA 0.427 4.548 4.120 0.000 0.000 0.298 118 V C -2.464 173.747 176.094 0.195 0.000 1.031 118 V CA -2.238 60.215 62.300 0.256 0.000 0.871 118 V CB 1.946 33.960 31.823 0.318 0.000 0.988 118 V HN 0.062 nan 8.190 nan 0.000 0.432 119 P HA 0.256 nan 4.420 nan 0.000 0.275 119 P C -0.840 176.527 177.300 0.111 0.000 1.228 119 P CA -0.373 62.800 63.100 0.123 0.000 0.786 119 P CB 1.485 33.249 31.700 0.108 0.000 0.927 120 L N 2.427 123.709 121.223 0.098 0.000 2.325 120 L HA 0.389 4.729 4.340 0.000 0.000 0.279 120 L C 0.081 177.008 176.870 0.095 0.000 1.054 120 L CA -0.495 54.392 54.840 0.078 0.000 0.804 120 L CB 0.525 42.610 42.059 0.044 0.000 1.200 120 L HN 0.238 nan 8.230 nan 0.000 0.436 121 D N 2.706 123.171 120.400 0.109 0.000 2.520 121 D HA -0.072 4.568 4.640 0.000 0.000 0.243 121 D C 1.058 177.446 176.300 0.147 0.000 1.160 121 D CA 0.775 54.853 54.000 0.131 0.000 0.877 121 D CB 0.762 41.654 40.800 0.153 0.000 1.150 121 D HN 0.713 nan 8.370 nan 0.000 0.494 122 E N 2.429 122.692 120.200 0.106 0.000 2.086 122 E HA -0.244 4.106 4.350 0.000 0.000 0.200 122 E C 0.998 177.644 176.600 0.075 0.000 1.012 122 E CA 1.445 57.892 56.400 0.078 0.000 0.812 122 E CB 0.100 29.835 29.700 0.059 0.000 0.743 122 E HN 0.653 nan 8.360 nan 0.000 0.453 123 D N -0.749 119.715 120.400 0.107 0.000 2.309 123 D HA -0.138 4.502 4.640 0.000 0.000 0.212 123 D C 1.461 177.848 176.300 0.147 0.000 0.968 123 D CA 0.715 54.781 54.000 0.110 0.000 0.882 123 D CB -0.023 40.861 40.800 0.140 0.000 0.918 123 D HN 0.160 nan 8.370 nan 0.000 0.503 124 F N 1.271 121.253 119.950 0.053 0.000 2.505 124 F HA 0.110 4.637 4.527 0.000 0.000 0.289 124 F C 2.233 178.024 175.800 -0.015 0.000 1.101 124 F CA -0.047 58.018 58.000 0.108 0.000 1.446 124 F CB 0.269 39.329 39.000 0.101 0.000 1.123 124 F HN -0.302 nan 8.300 nan 0.000 0.564 125 R N 1.261 121.782 120.500 0.035 0.000 2.134 125 R HA -0.294 4.047 4.340 0.000 0.000 0.248 125 R C 2.187 178.413 176.300 -0.123 0.000 1.143 125 R CA 2.403 58.497 56.100 -0.010 0.000 0.957 125 R CB -0.926 29.393 30.300 0.032 0.000 0.867 125 R HN 0.391 nan 8.270 nan 0.000 0.441 126 K N 0.050 120.290 120.400 -0.267 0.000 2.144 126 K HA -0.237 4.083 4.320 0.000 0.000 0.209 126 K C 1.559 177.957 176.600 -0.336 0.000 1.047 126 K CA 2.164 58.264 56.287 -0.311 0.000 0.927 126 K CB -0.563 31.692 32.500 -0.409 0.000 0.716 126 K HN 0.280 nan 8.250 nan 0.000 0.454 127 Y N 2.137 122.216 120.300 -0.369 0.000 2.457 127 Y HA -0.036 4.514 4.550 0.000 0.000 0.292 127 Y C 2.448 178.250 175.900 -0.162 0.000 1.125 127 Y CA 1.161 58.960 58.100 -0.501 0.000 1.254 127 Y CB -0.517 37.390 38.460 -0.922 0.000 1.012 127 Y HN 0.337 nan 8.280 nan 0.000 0.555 128 T N -1.864 112.721 114.554 0.051 0.000 3.252 128 T HA 0.388 4.739 4.350 0.000 0.000 0.250 128 T C 0.829 175.801 174.700 0.455 0.000 1.123 128 T CA 0.023 62.295 62.100 0.287 0.000 1.006 128 T CB -0.748 68.266 68.868 0.242 0.000 0.992 128 T HN 0.212 nan 8.240 nan 0.000 0.547 129 A N 1.875 124.876 122.820 0.301 0.000 2.520 129 A HA 0.533 4.854 4.320 0.000 0.000 0.245 129 A C -0.058 177.738 177.584 0.354 0.000 1.072 129 A CA -0.572 51.627 52.037 0.270 0.000 0.761 129 A CB -0.578 18.513 19.000 0.152 0.000 1.004 129 A HN 0.739 nan 8.150 nan 0.000 0.499 130 F N -0.016 120.031 119.950 0.161 0.000 2.603 130 F HA 0.844 5.371 4.527 0.000 0.000 0.317 130 F C -0.306 175.570 175.800 0.126 0.000 1.066 130 F CA -0.932 57.146 58.000 0.129 0.000 0.941 130 F CB 1.462 40.541 39.000 0.132 0.000 1.291 130 F HN 0.309 nan 8.300 nan 0.000 0.472 131 T N 2.997 117.653 114.554 0.170 0.000 2.848 131 T HA 0.580 4.931 4.350 0.000 0.000 0.285 131 T C -0.453 174.330 174.700 0.138 0.000 0.995 131 T CA -0.404 61.728 62.100 0.053 0.000 0.970 131 T CB 1.448 70.336 68.868 0.034 0.000 0.976 131 T HN 0.595 nan 8.240 nan 0.000 0.441 132 I N 5.530 126.165 120.570 0.108 0.000 2.337 132 I HA 0.268 4.438 4.170 0.000 0.000 0.291 132 I C -1.874 174.275 176.117 0.052 0.000 1.046 132 I CA -2.184 59.186 61.300 0.117 0.000 1.324 132 I CB 0.660 38.733 38.000 0.123 0.000 1.409 132 I HN 0.321 nan 8.210 nan 0.000 0.494 133 P HA 0.082 nan 4.420 nan 0.000 0.272 133 P C -0.345 176.948 177.300 -0.012 0.000 1.230 133 P CA -0.351 62.753 63.100 0.007 0.000 0.788 133 P CB 0.851 32.552 31.700 0.001 0.000 0.949 134 S N 1.120 116.804 115.700 -0.027 0.000 2.632 134 S HA 0.346 4.816 4.470 0.000 0.000 0.267 134 S C 0.453 175.028 174.600 -0.040 0.000 1.276 134 S CA -0.684 57.496 58.200 -0.033 0.000 0.998 134 S CB -0.217 62.961 63.200 -0.036 0.000 0.953 134 S HN 0.225 nan 8.310 nan 0.000 0.547 135 I N 2.892 123.439 120.570 -0.039 0.000 2.664 135 I HA 0.089 4.260 4.170 0.000 0.000 0.284 135 I C 0.823 176.911 176.117 -0.048 0.000 1.154 135 I CA 0.532 61.807 61.300 -0.042 0.000 1.402 135 I CB -0.987 36.992 38.000 -0.035 0.000 1.395 135 I HN 0.687 nan 8.210 nan 0.000 0.545 136 N N 4.407 123.071 118.700 -0.060 0.000 2.863 136 N HA -0.291 4.449 4.740 0.000 0.000 0.245 136 N C 0.447 175.906 175.510 -0.085 0.000 1.001 136 N CA 1.121 54.126 53.050 -0.075 0.000 0.901 136 N CB -1.498 36.954 38.487 -0.058 0.000 1.124 136 N HN 0.891 nan 8.380 nan 0.000 0.582 137 N N -0.570 118.083 118.700 -0.078 0.000 2.713 137 N HA -0.215 4.525 4.740 0.000 0.000 0.251 137 N C 0.647 176.121 175.510 -0.059 0.000 1.117 137 N CA 1.270 54.277 53.050 -0.072 0.000 0.770 137 N CB -0.221 38.209 38.487 -0.095 0.000 1.137 137 N HN 0.377 nan 8.380 nan 0.000 0.566 138 E N -0.597 119.572 120.200 -0.052 0.000 2.106 138 E HA -0.071 4.280 4.350 0.000 0.000 0.192 138 E C 1.179 177.756 176.600 -0.039 0.000 0.984 138 E CA 1.653 58.027 56.400 -0.043 0.000 0.806 138 E CB -0.099 29.578 29.700 -0.039 0.000 0.750 138 E HN 0.679 nan 8.360 nan 0.000 0.458 139 T N -0.785 113.746 114.554 -0.039 0.000 2.918 139 T HA 0.492 4.842 4.350 0.000 0.000 0.286 139 T C -2.814 171.862 174.700 -0.040 0.000 1.026 139 T CA -2.498 59.579 62.100 -0.038 0.000 1.031 139 T CB 1.890 70.736 68.868 -0.036 0.000 1.046 139 T HN -0.316 nan 8.240 nan 0.000 0.479 140 P HA 0.242 nan 4.420 nan 0.000 0.261 140 P C 0.765 178.035 177.300 -0.050 0.000 1.183 140 P CA 0.162 63.234 63.100 -0.047 0.000 0.761 140 P CB -0.007 31.661 31.700 -0.053 0.000 0.785 141 G N 2.859 111.632 108.800 -0.045 0.000 2.631 141 G HA2 0.290 4.250 3.960 0.000 0.000 0.271 141 G HA3 0.290 4.250 3.960 0.000 0.000 0.271 141 G C -0.363 174.498 174.900 -0.066 0.000 1.302 141 G CA -0.675 44.401 45.100 -0.040 0.000 1.002 141 G HN 0.456 nan 8.290 nan 0.000 0.519 142 I N 1.054 121.590 120.570 -0.057 0.000 2.306 142 I HA 0.265 4.435 4.170 0.000 0.000 0.288 142 I C 0.402 176.413 176.117 -0.176 0.000 1.036 142 I CA -0.459 60.768 61.300 -0.122 0.000 1.221 142 I CB 0.933 38.897 38.000 -0.061 0.000 1.385 142 I HN 0.159 nan 8.210 nan 0.000 0.472 143 R N 5.896 126.227 120.500 -0.283 0.000 2.390 143 R HA 0.519 4.859 4.340 0.000 0.000 0.291 143 R C -1.204 174.782 176.300 -0.523 0.000 1.070 143 R CA -0.392 55.523 56.100 -0.309 0.000 1.014 143 R CB 1.112 31.281 30.300 -0.219 0.000 1.007 143 R HN 0.485 nan 8.270 nan 0.000 0.466 144 Y N -0.097 119.852 120.300 -0.585 0.000 2.615 144 Y HA 0.204 4.754 4.550 0.000 0.000 0.341 144 Y C -0.372 175.237 175.900 -0.484 0.000 1.089 144 Y CA -0.916 56.790 58.100 -0.656 0.000 1.049 144 Y CB 2.555 40.343 38.460 -1.119 0.000 1.296 144 Y HN 0.491 nan 8.280 nan 0.000 0.470 145 Q N -0.126 119.678 119.800 0.008 0.000 2.377 145 Q HA 0.504 4.844 4.340 0.000 0.000 0.279 145 Q C -2.162 173.926 176.000 0.145 0.000 1.049 145 Q CA -1.095 54.800 55.803 0.153 0.000 0.825 145 Q CB 2.079 30.864 28.738 0.077 0.000 1.401 145 Q HN 0.571 nan 8.270 nan 0.000 0.404 146 Y N 1.407 121.818 120.300 0.187 0.000 2.336 146 Y HA 0.203 4.754 4.550 0.000 0.000 0.331 146 Y C 0.836 176.750 175.900 0.023 0.000 1.211 146 Y CA 0.328 58.475 58.100 0.078 0.000 1.346 146 Y CB 0.876 39.357 38.460 0.034 0.000 1.271 146 Y HN 0.754 nan 8.280 nan 0.000 0.538 147 N N 0.784 119.555 118.700 0.118 0.000 2.181 147 N HA 0.093 4.834 4.740 0.000 0.000 0.207 147 N C -0.560 175.010 175.510 0.100 0.000 1.182 147 N CA 0.379 53.478 53.050 0.083 0.000 0.893 147 N CB 0.880 39.391 38.487 0.040 0.000 1.032 147 N HN 0.374 nan 8.380 nan 0.000 0.513 148 V N -2.087 117.909 119.914 0.137 0.000 3.164 148 V HA 0.563 4.684 4.120 0.000 0.000 0.313 148 V C 0.093 176.277 176.094 0.148 0.000 1.188 148 V CA -1.174 61.214 62.300 0.147 0.000 1.058 148 V CB 1.291 33.191 31.823 0.128 0.000 1.110 148 V HN -0.159 nan 8.190 nan 0.000 0.453 149 L N 2.280 123.610 121.223 0.179 0.000 2.433 149 L HA 0.375 4.715 4.340 0.000 0.000 0.275 149 L C -2.258 174.683 176.870 0.119 0.000 1.128 149 L CA -1.233 53.676 54.840 0.115 0.000 0.875 149 L CB 0.152 42.261 42.059 0.084 0.000 1.171 149 L HN 0.468 nan 8.230 nan 0.000 0.463 150 P HA 0.096 nan 4.420 nan 0.000 0.274 150 P C -0.822 176.466 177.300 -0.020 0.000 1.231 150 P CA -0.593 62.205 63.100 -0.503 0.000 0.790 150 P CB 0.621 31.623 31.700 -1.162 0.000 0.951 151 Q N 1.166 121.103 119.800 0.228 0.000 2.295 151 Q HA 0.463 4.803 4.340 0.000 0.000 0.259 151 Q C 1.105 177.257 176.000 0.253 0.000 0.976 151 Q CA 1.203 57.154 55.803 0.246 0.000 0.923 151 Q CB -0.466 28.349 28.738 0.128 0.000 1.185 151 Q HN 0.774 nan 8.270 nan 0.000 0.410 152 G N 2.935 111.847 108.800 0.187 0.000 2.179 152 G HA2 -0.250 3.710 3.960 0.000 0.000 0.220 152 G HA3 -0.250 3.710 3.960 0.000 0.000 0.220 152 G C -0.634 174.341 174.900 0.124 0.000 0.990 152 G CA -0.149 45.093 45.100 0.236 0.000 0.646 152 G HN 0.585 nan 8.290 nan 0.000 0.517 153 W N 2.091 123.155 121.300 -0.394 0.000 2.365 153 W HA 0.658 5.318 4.660 0.000 0.000 0.316 153 W C 1.302 177.644 176.519 -0.295 0.000 1.164 153 W CA -0.525 56.511 57.345 -0.516 0.000 1.204 153 W CB 0.997 29.932 29.460 -0.874 0.000 1.213 153 W HN 0.053 nan 8.180 nan 0.000 0.539 154 K N 2.512 122.314 120.400 -0.997 0.000 2.077 154 K HA -0.210 4.111 4.320 0.000 0.000 0.213 154 K C 1.550 177.474 176.600 -1.127 0.000 1.051 154 K CA 2.120 57.886 56.287 -0.868 0.000 0.929 154 K CB -0.595 31.556 32.500 -0.582 0.000 0.715 154 K HN 0.733 nan 8.250 nan 0.000 0.451 155 G N -1.112 106.425 108.800 -2.104 0.000 3.233 155 G HA2 0.021 3.981 3.960 0.000 0.000 0.234 155 G HA3 0.021 3.981 3.960 0.000 0.000 0.234 155 G C 0.951 175.105 174.900 -1.243 0.000 1.137 155 G CA -0.116 43.669 45.100 -2.192 0.000 0.763 155 G HN 0.177 nan 8.290 nan 0.000 0.549 156 S N 1.713 116.889 115.700 -0.873 0.000 2.355 156 S HA -0.052 4.418 4.470 0.000 0.000 0.222 156 S C -0.059 174.064 174.600 -0.795 0.000 1.031 156 S CA 1.175 58.916 58.200 -0.765 0.000 0.993 156 S CB -0.506 62.089 63.200 -1.008 0.000 0.859 156 S HN 0.281 nan 8.310 nan 0.000 0.453 157 P HA 0.011 nan 4.420 nan 0.000 0.216 157 P C 1.458 178.647 177.300 -0.186 0.000 1.153 157 P CA 1.357 64.314 63.100 -0.239 0.000 0.848 157 P CB -0.120 31.486 31.700 -0.156 0.000 0.787 158 A N -0.378 122.242 122.820 -0.334 0.000 1.845 158 A HA -0.195 4.125 4.320 0.000 0.000 0.215 158 A C 2.214 179.683 177.584 -0.192 0.000 1.195 158 A CA 1.771 53.653 52.037 -0.259 0.000 0.616 158 A CB -1.735 17.033 19.000 -0.386 0.000 0.832 158 A HN 0.093 nan 8.150 nan 0.000 0.443 159 I N -1.822 118.577 120.570 -0.285 0.000 2.286 159 I HA -0.228 3.943 4.170 0.000 0.000 0.248 159 I C 2.320 178.403 176.117 -0.056 0.000 1.115 159 I CA 1.536 62.751 61.300 -0.142 0.000 1.392 159 I CB -0.314 37.613 38.000 -0.122 0.000 1.065 159 I HN 0.468 nan 8.210 nan 0.000 0.418 160 F N 1.497 121.350 119.950 -0.161 0.000 2.060 160 F HA -0.271 4.256 4.527 0.000 0.000 0.295 160 F C 2.636 178.422 175.800 -0.024 0.000 1.120 160 F CA 1.862 59.834 58.000 -0.047 0.000 1.205 160 F CB -0.423 38.602 39.000 0.040 0.000 0.986 160 F HN -0.057 nan 8.300 nan 0.000 0.470 161 Q N 0.083 119.811 119.800 -0.121 0.000 2.135 161 Q HA -0.184 4.157 4.340 0.000 0.000 0.204 161 Q C 2.538 178.427 176.000 -0.186 0.000 0.981 161 Q CA 1.989 57.690 55.803 -0.172 0.000 0.856 161 Q CB -0.687 28.038 28.738 -0.021 0.000 0.902 161 Q HN 0.443 nan 8.270 nan 0.000 0.425 162 S N -1.137 114.490 115.700 -0.122 0.000 2.356 162 S HA -0.165 4.306 4.470 0.000 0.000 0.223 162 S C 1.938 176.458 174.600 -0.133 0.000 1.032 162 S CA 1.468 59.620 58.200 -0.080 0.000 1.005 162 S CB -0.350 62.832 63.200 -0.030 0.000 0.867 162 S HN 0.506 nan 8.310 nan 0.000 0.449 163 S N 1.635 117.226 115.700 -0.181 0.000 2.354 163 S HA -0.174 4.296 4.470 0.000 0.000 0.219 163 S C 1.875 176.315 174.600 -0.266 0.000 1.035 163 S CA 1.786 59.869 58.200 -0.195 0.000 1.037 163 S CB -0.640 62.454 63.200 -0.175 0.000 0.956 163 S HN 0.575 nan 8.310 nan 0.000 0.428 164 M N 2.115 121.463 119.600 -0.420 0.000 2.116 164 M HA -0.180 4.300 4.480 0.000 0.000 0.255 164 M C 1.850 178.008 176.300 -0.238 0.000 1.075 164 M CA 1.871 56.933 55.300 -0.396 0.000 1.087 164 M CB -1.607 30.628 32.600 -0.608 0.000 1.340 164 M HN 0.277 nan 8.290 nan 0.000 0.402 165 T N -0.124 114.314 114.554 -0.194 0.000 2.701 165 T HA -0.144 4.206 4.350 0.000 0.000 0.263 165 T C 1.851 176.474 174.700 -0.128 0.000 1.040 165 T CA 1.779 63.805 62.100 -0.122 0.000 1.147 165 T CB -0.235 68.587 68.868 -0.076 0.000 0.865 165 T HN 0.453 nan 8.240 nan 0.000 0.426 166 K N 0.414 120.724 120.400 -0.151 0.000 2.103 166 K HA 0.009 4.330 4.320 0.000 0.000 0.207 166 K C 2.120 178.564 176.600 -0.261 0.000 1.048 166 K CA 1.093 57.277 56.287 -0.173 0.000 0.930 166 K CB -0.275 32.125 32.500 -0.166 0.000 0.716 166 K HN 0.287 nan 8.250 nan 0.000 0.444 167 I N 0.581 120.961 120.570 -0.318 0.000 2.394 167 I HA -0.259 3.911 4.170 0.000 0.000 0.251 167 I C 1.793 177.802 176.117 -0.179 0.000 1.136 167 I CA 0.964 62.016 61.300 -0.413 0.000 1.425 167 I CB 0.048 37.841 38.000 -0.345 0.000 1.079 167 I HN 0.155 nan 8.210 nan 0.000 0.425 168 L N -0.421 120.710 121.223 -0.153 0.000 2.209 168 L HA -0.085 4.255 4.340 0.000 0.000 0.207 168 L C 2.371 179.198 176.870 -0.072 0.000 1.094 168 L CA 0.692 55.458 54.840 -0.122 0.000 0.790 168 L CB -0.489 41.513 42.059 -0.094 0.000 0.932 168 L HN 0.177 nan 8.230 nan 0.000 0.447 169 E N 0.476 120.633 120.200 -0.072 0.000 2.095 169 E HA -0.271 4.079 4.350 0.000 0.000 0.212 169 E C -0.609 175.975 176.600 -0.027 0.000 1.044 169 E CA 2.351 58.724 56.400 -0.044 0.000 0.857 169 E CB -0.994 28.672 29.700 -0.056 0.000 0.764 169 E HN 0.403 nan 8.360 nan 0.000 0.462 170 P HA -0.201 nan 4.420 nan 0.000 0.214 170 P C 1.516 178.805 177.300 -0.019 0.000 1.163 170 P CA 1.319 64.430 63.100 0.018 0.000 0.883 170 P CB -0.363 31.414 31.700 0.127 0.000 0.788 171 F N 1.285 121.064 119.950 -0.286 0.000 2.120 171 F HA -0.193 4.334 4.527 0.000 0.000 0.300 171 F C 2.584 178.292 175.800 -0.153 0.000 1.095 171 F CA 1.622 59.438 58.000 -0.306 0.000 1.249 171 F CB -0.460 38.213 39.000 -0.545 0.000 0.995 171 F HN -0.270 nan 8.300 nan 0.000 0.480 172 R N 0.322 120.872 120.500 0.083 0.000 2.082 172 R HA -0.187 4.153 4.340 0.000 0.000 0.234 172 R C 2.284 178.559 176.300 -0.042 0.000 1.136 172 R CA 2.003 58.131 56.100 0.047 0.000 0.935 172 R CB -0.517 29.810 30.300 0.045 0.000 0.842 172 R HN 0.264 nan 8.270 nan 0.000 0.430 173 K N 0.273 120.647 120.400 -0.044 0.000 2.063 173 K HA -0.170 4.150 4.320 0.000 0.000 0.208 173 K C 2.186 178.735 176.600 -0.086 0.000 1.048 173 K CA 1.269 57.526 56.287 -0.049 0.000 0.928 173 K CB 0.010 32.492 32.500 -0.030 0.000 0.713 173 K HN 0.144 nan 8.250 nan 0.000 0.442 174 Q N 0.302 120.019 119.800 -0.139 0.000 2.369 174 Q HA -0.047 4.294 4.340 0.000 0.000 0.206 174 Q C -0.144 175.699 176.000 -0.262 0.000 0.963 174 Q CA 1.020 56.708 55.803 -0.192 0.000 0.894 174 Q CB 0.092 28.694 28.738 -0.226 0.000 0.965 174 Q HN 0.307 nan 8.270 nan 0.000 0.475 175 N N 0.166 118.692 118.700 -0.290 0.000 2.733 175 N HA 0.105 4.845 4.740 0.000 0.000 0.271 175 N C -2.214 173.230 175.510 -0.109 0.000 1.720 175 N CA -0.774 52.129 53.050 -0.246 0.000 0.803 175 N CB 1.304 39.539 38.487 -0.420 0.000 1.208 175 N HN -0.041 nan 8.380 nan 0.000 0.498 176 P HA -0.061 nan 4.420 nan 0.000 0.226 176 P C -0.052 177.235 177.300 -0.022 0.000 1.153 176 P CA 1.041 64.120 63.100 -0.036 0.000 0.777 176 P CB 0.452 32.132 31.700 -0.033 0.000 0.794 177 D N -0.446 119.937 120.400 -0.027 0.000 2.340 177 D HA 0.061 4.701 4.640 0.000 0.000 0.220 177 D C 0.595 176.893 176.300 -0.002 0.000 1.039 177 D CA 0.492 54.481 54.000 -0.018 0.000 0.866 177 D CB 0.429 41.215 40.800 -0.023 0.000 0.913 177 D HN 0.195 nan 8.370 nan 0.000 0.523 178 I N 1.574 122.153 120.570 0.016 0.000 2.362 178 I HA 0.196 4.366 4.170 0.000 0.000 0.289 178 I C 0.273 176.432 176.117 0.071 0.000 0.994 178 I CA -0.908 60.429 61.300 0.062 0.000 1.158 178 I CB 1.531 39.604 38.000 0.122 0.000 1.315 178 I HN -0.370 nan 8.210 nan 0.000 0.451 179 V N 7.968 127.916 119.914 0.057 0.000 2.465 179 V HA 0.439 4.559 4.120 0.000 0.000 0.279 179 V C 0.092 176.241 176.094 0.093 0.000 1.045 179 V CA -0.252 62.079 62.300 0.052 0.000 0.938 179 V CB 1.727 33.550 31.823 -0.001 0.000 0.986 179 V HN 0.490 nan 8.190 nan 0.000 0.467 180 I N 6.034 126.670 120.570 0.111 0.000 2.499 180 I HA 0.358 4.529 4.170 0.000 0.000 0.288 180 I C -1.467 174.758 176.117 0.180 0.000 1.048 180 I CA -0.725 60.654 61.300 0.132 0.000 1.062 180 I CB 1.975 40.031 38.000 0.092 0.000 1.238 180 I HN 0.606 nan 8.210 nan 0.000 0.426 181 Y N 6.103 126.469 120.300 0.110 0.000 2.328 181 Y HA 0.448 4.998 4.550 0.000 0.000 0.337 181 Y C -0.569 175.488 175.900 0.263 0.000 0.966 181 Y CA -0.575 57.604 58.100 0.132 0.000 1.136 181 Y CB 1.165 39.632 38.460 0.011 0.000 1.170 181 Y HN 0.488 nan 8.280 nan 0.000 0.470 182 Q N 5.511 125.074 119.800 -0.394 0.000 2.274 182 Q HA 0.261 4.602 4.340 0.000 0.000 0.256 182 Q C -1.874 173.860 176.000 -0.443 0.000 0.927 182 Q CA -0.470 55.159 55.803 -0.290 0.000 0.939 182 Q CB 1.492 30.152 28.738 -0.130 0.000 1.201 182 Q HN 0.731 nan 8.270 nan 0.000 0.426 183 Y N 4.589 124.746 120.300 -0.238 0.000 2.287 183 Y HA 0.189 4.739 4.550 0.000 0.000 0.325 183 Y C -0.168 175.799 175.900 0.111 0.000 1.139 183 Y CA -0.316 57.759 58.100 -0.041 0.000 1.167 183 Y CB 0.365 38.902 38.460 0.128 0.000 1.158 183 Y HN 0.892 nan 8.280 nan 0.000 0.434 184 M N 1.054 120.417 119.600 -0.394 0.000 7.319 184 M HA -0.363 4.117 4.480 0.000 0.000 0.313 184 M C -0.089 176.238 176.300 0.046 0.000 0.480 184 M CA 2.225 57.387 55.300 -0.231 0.000 1.311 184 M CB -0.859 31.491 32.600 -0.417 0.000 0.421 184 M HN 0.732 nan 8.290 nan 0.000 0.747 185 D N 0.743 121.106 120.400 -0.061 0.000 2.894 185 D HA 0.417 5.057 4.640 0.000 0.000 0.248 185 D C -1.065 175.232 176.300 -0.006 0.000 1.291 185 D CA -0.192 53.782 54.000 -0.044 0.000 0.840 185 D CB -0.011 40.622 40.800 -0.277 0.000 1.044 185 D HN 0.262 nan 8.370 nan 0.000 0.484 186 D N 0.082 120.504 120.400 0.038 0.000 2.732 186 D HA 0.492 5.132 4.640 0.000 0.000 0.229 186 D C -1.159 175.109 176.300 -0.054 0.000 1.152 186 D CA -0.571 53.410 54.000 -0.031 0.000 0.854 186 D CB 2.204 43.042 40.800 0.064 0.000 1.590 186 D HN -0.010 nan 8.370 nan 0.000 0.468 187 L N 1.809 122.898 121.223 -0.224 0.000 2.438 187 L HA 0.386 4.726 4.340 0.000 0.000 0.270 187 L C -1.665 175.063 176.870 -0.237 0.000 0.972 187 L CA -0.541 54.225 54.840 -0.124 0.000 0.831 187 L CB 1.479 43.493 42.059 -0.074 0.000 1.273 187 L HN 0.287 nan 8.230 nan 0.000 0.405 188 Y N 3.607 123.972 120.300 0.107 0.000 2.334 188 Y HA 0.643 5.193 4.550 0.000 0.000 0.336 188 Y C -0.193 175.762 175.900 0.091 0.000 0.960 188 Y CA -1.037 57.141 58.100 0.129 0.000 1.164 188 Y CB 1.650 40.202 38.460 0.153 0.000 1.155 188 Y HN 0.182 nan 8.280 nan 0.000 0.478 189 V N 2.932 122.965 119.914 0.198 0.000 2.417 189 V HA 0.865 4.985 4.120 0.000 0.000 0.291 189 V C 0.289 176.502 176.094 0.197 0.000 1.024 189 V CA -0.740 61.663 62.300 0.172 0.000 0.861 189 V CB 1.442 33.343 31.823 0.129 0.000 0.985 189 V HN 0.915 nan 8.190 nan 0.000 0.436 190 G N 2.511 111.385 108.800 0.123 0.000 2.542 190 G HA2 0.757 4.717 3.960 0.000 0.000 0.311 190 G HA3 0.757 4.717 3.960 0.000 0.000 0.311 190 G C -0.736 174.158 174.900 -0.010 0.000 1.298 190 G CA -0.291 44.811 45.100 0.005 0.000 0.973 190 G HN 1.046 nan 8.290 nan 0.000 0.487 191 S N -0.018 115.590 115.700 -0.153 0.000 2.547 191 S HA 0.411 4.881 4.470 0.000 0.000 0.270 191 S C -0.667 173.825 174.600 -0.181 0.000 1.150 191 S CA -0.709 57.421 58.200 -0.117 0.000 0.850 191 S CB 2.286 65.487 63.200 0.001 0.000 1.118 191 S HN 0.323 nan 8.310 nan 0.000 0.461 192 D N 1.032 121.371 120.400 -0.102 0.000 2.340 192 D HA 0.221 4.861 4.640 0.000 0.000 0.220 192 D C 0.447 176.704 176.300 -0.071 0.000 1.039 192 D CA 0.251 54.196 54.000 -0.091 0.000 0.866 192 D CB 0.021 40.783 40.800 -0.063 0.000 0.913 192 D HN 0.492 nan 8.370 nan 0.000 0.523 193 L N 1.257 122.447 121.223 -0.056 0.000 2.461 193 L HA 0.071 4.412 4.340 0.000 0.000 0.272 193 L C 0.932 177.792 176.870 -0.016 0.000 1.197 193 L CA -0.159 54.677 54.840 -0.007 0.000 0.836 193 L CB 0.488 42.583 42.059 0.060 0.000 1.105 193 L HN -0.225 nan 8.230 nan 0.000 0.477 194 E N 1.083 121.292 120.200 0.015 0.000 2.390 194 E HA 0.024 4.374 4.350 0.000 0.000 0.261 194 E C 0.924 177.568 176.600 0.073 0.000 1.076 194 E CA 0.117 56.531 56.400 0.024 0.000 0.905 194 E CB 0.888 30.601 29.700 0.022 0.000 0.984 194 E HN 0.439 nan 8.360 nan 0.000 0.427 195 I N 2.154 122.770 120.570 0.077 0.000 2.561 195 I HA -0.314 3.857 4.170 0.000 0.000 0.263 195 I C 1.418 177.599 176.117 0.107 0.000 1.171 195 I CA 1.864 63.236 61.300 0.120 0.000 1.430 195 I CB 0.004 38.060 38.000 0.093 0.000 1.105 195 I HN 0.665 nan 8.210 nan 0.000 0.453 196 G N -0.688 108.160 108.800 0.080 0.000 2.473 196 G HA2 -0.166 3.795 3.960 0.000 0.000 0.212 196 G HA3 -0.166 3.795 3.960 0.000 0.000 0.212 196 G C 1.342 176.282 174.900 0.068 0.000 1.211 196 G CA 0.424 45.561 45.100 0.061 0.000 0.813 196 G HN 0.454 nan 8.290 nan 0.000 0.541 197 Q N -0.529 119.315 119.800 0.074 0.000 2.124 197 Q HA -0.094 4.246 4.340 0.000 0.000 0.202 197 Q C 2.201 178.271 176.000 0.115 0.000 0.977 197 Q CA 1.225 57.074 55.803 0.075 0.000 0.850 197 Q CB -0.375 28.400 28.738 0.062 0.000 0.901 197 Q HN 0.695 nan 8.270 nan 0.000 0.429 198 H N 1.295 120.382 119.070 0.029 0.000 2.276 198 H HA -0.020 4.537 4.556 0.000 0.000 0.301 198 H C 2.099 177.455 175.328 0.047 0.000 1.073 198 H CA 1.269 57.339 56.048 0.037 0.000 1.311 198 H CB 0.239 30.017 29.762 0.028 0.000 1.379 198 H HN 0.105 nan 8.280 nan 0.000 0.494 199 R N -0.344 120.130 120.500 -0.043 0.000 2.139 199 R HA -0.111 4.229 4.340 0.000 0.000 0.243 199 R C 2.376 178.646 176.300 -0.051 0.000 1.145 199 R CA 1.899 57.945 56.100 -0.089 0.000 0.976 199 R CB -0.146 30.149 30.300 -0.009 0.000 0.866 199 R HN 0.416 nan 8.270 nan 0.000 0.449 200 T N 0.466 115.019 114.554 -0.001 0.000 2.737 200 T HA -0.099 4.251 4.350 0.000 0.000 0.265 200 T C 1.659 176.382 174.700 0.039 0.000 1.038 200 T CA 1.135 63.248 62.100 0.021 0.000 1.144 200 T CB -0.052 68.837 68.868 0.035 0.000 0.866 200 T HN 0.074 nan 8.240 nan 0.000 0.434 201 K N 0.634 121.064 120.400 0.050 0.000 2.148 201 K HA 0.058 4.378 4.320 0.000 0.000 0.204 201 K C 1.996 178.665 176.600 0.115 0.000 1.050 201 K CA 0.571 56.928 56.287 0.117 0.000 0.942 201 K CB -0.366 32.218 32.500 0.139 0.000 0.724 201 K HN 0.201 nan 8.250 nan 0.000 0.446 202 I N 0.890 121.440 120.570 -0.033 0.000 2.179 202 I HA -0.215 3.955 4.170 0.000 0.000 0.242 202 I C 1.812 177.907 176.117 -0.036 0.000 1.088 202 I CA 1.516 62.764 61.300 -0.087 0.000 1.357 202 I CB -0.961 36.926 38.000 -0.189 0.000 1.051 202 I HN 0.156 nan 8.210 nan 0.000 0.409 203 E N 0.877 121.070 120.200 -0.011 0.000 2.153 203 E HA -0.186 4.164 4.350 0.000 0.000 0.194 203 E C 2.122 178.757 176.600 0.058 0.000 0.988 203 E CA 0.921 57.327 56.400 0.010 0.000 0.811 203 E CB -0.147 29.558 29.700 0.008 0.000 0.746 203 E HN 0.474 nan 8.360 nan 0.000 0.466 204 E N -0.262 120.010 120.200 0.119 0.000 2.110 204 E HA -0.185 4.165 4.350 0.000 0.000 0.193 204 E C 1.891 178.650 176.600 0.265 0.000 0.988 204 E CA 0.771 57.306 56.400 0.226 0.000 0.804 204 E CB -0.077 29.801 29.700 0.295 0.000 0.745 204 E HN 0.126 nan 8.360 nan 0.000 0.458 205 L N 1.204 122.471 121.223 0.074 0.000 1.988 205 L HA -0.139 4.201 4.340 0.000 0.000 0.207 205 L C 2.112 178.904 176.870 -0.131 0.000 1.071 205 L CA 1.667 56.276 54.840 -0.386 0.000 0.744 205 L CB -0.231 41.442 42.059 -0.643 0.000 0.893 205 L HN -0.101 nan 8.230 nan 0.000 0.433 206 R N -0.817 119.640 120.500 -0.071 0.000 2.140 206 R HA -0.241 4.099 4.340 0.000 0.000 0.250 206 R C 2.277 178.590 176.300 0.023 0.000 1.150 206 R CA 1.847 57.930 56.100 -0.028 0.000 0.966 206 R CB -0.588 29.693 30.300 -0.033 0.000 0.869 206 R HN 0.534 nan 8.270 nan 0.000 0.445 207 Q N -0.516 119.316 119.800 0.052 0.000 2.123 207 Q HA -0.157 4.183 4.340 0.000 0.000 0.199 207 Q C 1.964 178.031 176.000 0.110 0.000 0.966 207 Q CA 1.469 57.314 55.803 0.070 0.000 0.845 207 Q CB -0.195 28.589 28.738 0.075 0.000 0.907 207 Q HN 0.547 nan 8.270 nan 0.000 0.439 208 H N 0.358 119.484 119.070 0.094 0.000 2.353 208 H HA -0.060 4.497 4.556 0.000 0.000 0.300 208 H C 2.043 177.519 175.328 0.247 0.000 1.090 208 H CA 1.478 57.642 56.048 0.194 0.000 1.327 208 H CB -0.024 29.849 29.762 0.185 0.000 1.383 208 H HN 0.087 nan 8.280 nan 0.000 0.508 209 L N -0.314 121.052 121.223 0.237 0.000 2.046 209 L HA -0.162 4.178 4.340 0.000 0.000 0.208 209 L C 2.558 179.521 176.870 0.156 0.000 1.077 209 L CA 0.955 55.910 54.840 0.192 0.000 0.747 209 L CB -0.369 41.742 42.059 0.087 0.000 0.896 209 L HN 0.324 nan 8.230 nan 0.000 0.432 210 L N -0.533 120.740 121.223 0.084 0.000 2.046 210 L HA -0.199 4.141 4.340 0.000 0.000 0.208 210 L C 2.778 179.632 176.870 -0.027 0.000 1.077 210 L CA 1.221 56.083 54.840 0.036 0.000 0.747 210 L CB -0.273 41.795 42.059 0.015 0.000 0.896 210 L HN 0.208 nan 8.230 nan 0.000 0.432 211 R N -1.395 119.046 120.500 -0.099 0.000 2.241 211 R HA -0.182 4.158 4.340 0.000 0.000 0.224 211 R C 0.725 176.668 176.300 -0.595 0.000 1.101 211 R CA 1.179 57.080 56.100 -0.333 0.000 0.995 211 R CB -0.192 29.862 30.300 -0.410 0.000 0.870 211 R HN 0.420 nan 8.270 nan 0.000 0.463 212 W N -0.182 121.065 121.300 -0.089 0.000 2.862 212 W HA 0.297 4.957 4.660 0.000 0.000 0.426 212 W C 0.816 177.335 176.519 -0.001 0.000 0.950 212 W CA 0.106 57.420 57.345 -0.051 0.000 2.150 212 W CB 0.680 30.100 29.460 -0.066 0.000 1.161 212 W HN 0.145 nan 8.180 nan 0.000 0.696 213 G N 1.174 110.041 108.800 0.112 0.000 2.168 213 G HA2 -0.323 3.637 3.960 0.000 0.000 0.257 213 G HA3 -0.323 3.637 3.960 0.000 0.000 0.257 213 G C -0.262 174.720 174.900 0.138 0.000 0.997 213 G CA 0.061 45.226 45.100 0.108 0.000 0.708 213 G HN 0.250 nan 8.290 nan 0.000 0.520 214 L N 1.650 122.960 121.223 0.145 0.000 2.294 214 L HA 0.546 4.886 4.340 0.000 0.000 0.283 214 L C 0.865 177.791 176.870 0.094 0.000 1.015 214 L CA -0.377 54.548 54.840 0.141 0.000 0.831 214 L CB 1.761 43.920 42.059 0.167 0.000 1.217 214 L HN 0.297 nan 8.230 nan 0.000 0.420 215 T N -0.875 113.726 114.554 0.078 0.000 2.889 215 T HA 0.607 4.957 4.350 0.000 0.000 0.291 215 T C 0.359 175.080 174.700 0.035 0.000 0.995 215 T CA -0.547 61.581 62.100 0.047 0.000 1.092 215 T CB 1.473 70.366 68.868 0.042 0.000 0.954 215 T HN 0.600 nan 8.240 nan 0.000 0.506 216 T N 0.690 115.252 114.554 0.013 0.000 2.870 216 T HA 0.684 5.034 4.350 0.000 0.000 0.277 216 T C -1.815 172.879 174.700 -0.011 0.000 1.000 216 T CA -1.517 60.579 62.100 -0.006 0.000 0.982 216 T CB 0.625 69.477 68.868 -0.026 0.000 1.249 216 T HN 0.484 nan 8.240 nan 0.000 0.589 217 P HA 0.438 nan 4.420 nan 0.000 0.195 217 P C -0.525 176.713 177.300 -0.104 0.000 1.086 217 P CA 0.652 63.759 63.100 0.011 0.000 0.798 217 P CB -0.119 31.655 31.700 0.123 0.000 0.679 218 D N -3.755 116.356 120.400 -0.481 0.000 2.710 218 D HA 0.359 5.000 4.640 0.000 0.000 0.276 218 D C -1.213 174.614 176.300 -0.788 0.000 1.267 218 D CA -0.645 53.025 54.000 -0.550 0.000 0.772 218 D CB 1.315 41.983 40.800 -0.220 0.000 1.299 218 D HN -0.226 nan 8.370 nan 0.000 0.421 219 K N 0.715 120.916 120.400 -0.332 0.000 2.219 219 K HA 0.370 4.691 4.320 0.000 0.000 0.258 219 K C -0.211 176.360 176.600 -0.049 0.000 1.008 219 K CA 0.076 56.261 56.287 -0.169 0.000 0.928 219 K CB 0.471 32.929 32.500 -0.070 0.000 0.983 219 K HN 0.445 nan 8.250 nan 0.000 0.484 220 K N 0.383 120.803 120.400 0.034 0.000 3.446 220 K HA -0.233 4.087 4.320 0.000 0.000 0.312 220 K C 0.348 177.072 176.600 0.208 0.000 1.329 220 K CA 1.605 57.959 56.287 0.112 0.000 0.935 220 K CB -1.981 30.575 32.500 0.093 0.000 1.281 220 K HN 0.819 nan 8.250 nan 0.000 0.457 221 H N 0.643 119.724 119.070 0.017 0.000 2.436 221 H HA -0.023 4.533 4.556 0.000 0.000 0.294 221 H C 0.750 176.084 175.328 0.010 0.000 1.048 221 H CA 0.393 56.446 56.048 0.008 0.000 1.353 221 H CB 0.181 29.943 29.762 0.000 0.000 1.414 221 H HN 0.497 nan 8.280 nan 0.000 0.536 222 Q N 3.097 122.993 119.800 0.159 0.000 2.394 222 Q HA -0.070 4.271 4.340 0.000 0.000 0.347 222 Q C -0.072 175.984 176.000 0.093 0.000 1.144 222 Q CA 0.426 56.307 55.803 0.129 0.000 1.050 222 Q CB 0.459 29.291 28.738 0.156 0.000 1.188 222 Q HN 0.424 nan 8.270 nan 0.000 0.406 223 K N 1.196 121.619 120.400 0.038 0.000 2.502 223 K HA 0.492 4.812 4.320 0.000 0.000 0.252 223 K C -0.932 175.750 176.600 0.138 0.000 1.043 223 K CA -0.929 55.355 56.287 -0.006 0.000 0.999 223 K CB 0.872 33.266 32.500 -0.178 0.000 1.343 223 K HN 0.588 nan 8.250 nan 0.000 0.513 224 E N 0.874 121.144 120.200 0.118 0.000 2.195 224 E HA 0.348 4.698 4.350 0.000 0.000 0.271 224 E C -2.500 174.240 176.600 0.233 0.000 0.923 224 E CA -2.366 54.145 56.400 0.186 0.000 0.790 224 E CB 0.836 30.608 29.700 0.120 0.000 1.155 224 E HN 0.440 nan 8.360 nan 0.000 0.402 225 P HA 0.104 nan 4.420 nan 0.000 0.269 225 P C -2.262 175.142 177.300 0.172 0.000 1.215 225 P CA -0.944 62.326 63.100 0.283 0.000 0.780 225 P CB -0.378 31.465 31.700 0.238 0.000 0.898 226 P HA 0.279 nan 4.420 nan 0.000 0.278 226 P C -0.824 176.581 177.300 0.174 0.000 1.238 226 P CA -0.320 62.724 63.100 -0.092 0.000 0.794 226 P CB 0.578 31.974 31.700 -0.508 0.000 0.955 227 F N 1.620 121.577 119.950 0.013 0.000 2.413 227 F HA 0.201 4.729 4.527 0.000 0.000 0.359 227 F C 0.956 176.870 175.800 0.190 0.000 1.122 227 F CA -0.709 57.366 58.000 0.124 0.000 1.160 227 F CB 0.441 39.531 39.000 0.150 0.000 1.146 227 F HN -0.020 nan 8.300 nan 0.000 0.514 228 L N 4.649 126.011 121.223 0.232 0.000 2.407 228 L HA 0.066 4.406 4.340 0.000 0.000 0.282 228 L C -0.842 176.241 176.870 0.355 0.000 1.110 228 L CA -0.003 54.988 54.840 0.251 0.000 0.863 228 L CB 0.099 42.242 42.059 0.141 0.000 1.207 228 L HN 0.651 nan 8.230 nan 0.000 0.454 229 W N 6.471 127.901 121.300 0.217 0.000 2.781 229 W HA 0.400 5.061 4.660 0.000 0.000 0.333 229 W C 0.253 176.901 176.519 0.216 0.000 1.047 229 W CA -1.041 56.413 57.345 0.183 0.000 1.236 229 W CB 1.363 30.890 29.460 0.111 0.000 1.394 229 W HN 0.475 nan 8.180 nan 0.000 0.466 230 M N 5.024 124.189 119.600 -0.725 0.000 2.642 230 M HA -0.195 4.285 4.480 0.000 0.000 0.184 230 M C 1.061 177.095 176.300 -0.443 0.000 0.572 230 M CA 2.069 56.882 55.300 -0.811 0.000 0.537 230 M CB -1.359 30.232 32.600 -1.681 0.000 1.960 230 M HN 1.447 nan 8.290 nan 0.000 0.659 231 G N -2.201 106.447 108.800 -0.253 0.000 2.131 231 G HA2 -0.241 3.719 3.960 0.000 0.000 0.201 231 G HA3 -0.241 3.719 3.960 0.000 0.000 0.201 231 G C -0.333 174.547 174.900 -0.033 0.000 1.000 231 G CA -0.058 44.914 45.100 -0.214 0.000 0.680 231 G HN 0.642 nan 8.290 nan 0.000 0.514 232 Y N -0.374 120.111 120.300 0.308 0.000 2.634 232 Y HA 0.687 5.237 4.550 0.000 0.000 0.340 232 Y C 0.334 176.445 175.900 0.352 0.000 1.058 232 Y CA -1.258 57.074 58.100 0.387 0.000 1.081 232 Y CB 1.287 39.984 38.460 0.394 0.000 1.295 232 Y HN 0.063 nan 8.280 nan 0.000 0.487 233 E N 1.717 122.253 120.200 0.560 0.000 2.129 233 E HA 0.371 4.721 4.350 0.000 0.000 0.268 233 E C -1.588 175.257 176.600 0.407 0.000 0.900 233 E CA -0.713 55.914 56.400 0.379 0.000 0.755 233 E CB 1.525 31.440 29.700 0.358 0.000 1.117 233 E HN 0.291 nan 8.360 nan 0.000 0.410 234 L N 4.293 125.709 121.223 0.321 0.000 2.297 234 L HA 0.245 4.585 4.340 0.000 0.000 0.277 234 L C -0.358 176.637 176.870 0.209 0.000 1.040 234 L CA -0.238 54.823 54.840 0.369 0.000 0.867 234 L CB -0.063 42.198 42.059 0.337 0.000 1.244 234 L HN 0.498 nan 8.230 nan 0.000 0.433 235 H N 3.377 122.658 119.070 0.352 0.000 2.505 235 H HA 0.347 4.904 4.556 0.000 0.000 0.358 235 H C -1.383 174.100 175.328 0.257 0.000 1.304 235 H CA -1.310 54.888 56.048 0.250 0.000 1.393 235 H CB 0.136 30.005 29.762 0.177 0.000 1.591 235 H HN 0.318 nan 8.280 nan 0.000 0.595 236 P HA -0.135 nan 4.420 nan 0.000 0.215 236 P C 0.122 177.619 177.300 0.328 0.000 1.157 236 P CA 1.607 64.822 63.100 0.193 0.000 0.859 236 P CB 0.316 32.072 31.700 0.094 0.000 0.786 237 D N -1.072 119.491 120.400 0.273 0.000 2.392 237 D HA 0.027 4.668 4.640 0.000 0.000 0.206 237 D C 0.893 177.226 176.300 0.055 0.000 1.046 237 D CA 0.254 54.376 54.000 0.203 0.000 0.865 237 D CB -0.163 40.681 40.800 0.074 0.000 0.969 237 D HN 0.332 nan 8.370 nan 0.000 0.509 238 K N -0.621 119.790 120.400 0.018 0.000 2.409 238 K HA 0.558 4.879 4.320 0.000 0.000 0.252 238 K C -1.139 175.468 176.600 0.011 0.000 1.036 238 K CA -1.170 55.014 56.287 -0.171 0.000 0.871 238 K CB 1.982 34.358 32.500 -0.206 0.000 1.374 238 K HN 0.209 nan 8.250 nan 0.000 0.459 239 W N -0.210 121.025 121.300 -0.108 0.000 3.075 239 W HA 0.683 5.343 4.660 0.001 0.000 0.334 239 W C -1.896 174.721 176.519 0.165 0.000 1.243 239 W CA -0.863 56.548 57.345 0.110 0.000 1.170 239 W CB 1.538 30.974 29.460 -0.040 0.000 1.452 239 W HN 0.747 nan 8.180 nan 0.000 0.572 240 T N 0.725 115.471 114.554 0.321 0.000 2.775 240 T HA 0.367 4.717 4.350 0.000 0.000 0.320 240 T C -0.912 174.046 174.700 0.430 0.000 1.597 240 T CA -0.360 61.719 62.100 -0.034 0.000 1.022 240 T CB 1.084 69.799 68.868 -0.254 0.000 1.485 240 T HN 0.862 nan 8.240 nan 0.000 0.494 241 V N 1.631 121.734 119.914 0.316 0.000 2.811 241 V HA 0.528 4.648 4.120 0.000 0.000 0.302 241 V C 0.453 176.749 176.094 0.335 0.000 1.063 241 V CA -0.542 61.989 62.300 0.385 0.000 1.088 241 V CB 0.393 32.346 31.823 0.216 0.000 0.982 241 V HN 0.917 nan 8.190 nan 0.000 0.485 242 Q N 3.349 123.354 119.800 0.342 0.000 2.361 242 Q HA 0.235 4.575 4.340 0.000 0.000 0.276 242 Q C -2.187 173.918 176.000 0.175 0.000 1.022 242 Q CA -1.311 54.631 55.803 0.231 0.000 0.898 242 Q CB 0.088 28.925 28.738 0.165 0.000 1.246 242 Q HN 0.637 nan 8.270 nan 0.000 0.410 243 P HA -0.184 nan 4.420 nan 0.000 0.247 243 P C -0.990 176.345 177.300 0.058 0.000 1.103 243 P CA 0.869 64.020 63.100 0.085 0.000 0.797 243 P CB 0.011 31.753 31.700 0.071 0.000 0.710 244 I N 4.604 125.193 120.570 0.031 0.000 2.322 244 I HA 0.078 4.248 4.170 0.000 0.000 0.292 244 I C 0.451 176.559 176.117 -0.015 0.000 1.060 244 I CA -0.425 60.877 61.300 0.004 0.000 1.309 244 I CB 0.429 38.398 38.000 -0.051 0.000 1.415 244 I HN -0.019 nan 8.210 nan 0.000 0.492 245 V N 7.720 127.637 119.914 0.005 0.000 2.348 245 V HA 0.273 4.393 4.120 0.000 0.000 0.270 245 V C 0.486 176.596 176.094 0.027 0.000 1.037 245 V CA -0.534 61.772 62.300 0.010 0.000 0.872 245 V CB 1.503 33.331 31.823 0.009 0.000 1.002 245 V HN 0.448 nan 8.190 nan 0.000 0.464 246 L N 8.227 129.470 121.223 0.034 0.000 2.282 246 L HA 0.359 4.699 4.340 0.000 0.000 0.287 246 L C -1.814 175.134 176.870 0.129 0.000 1.075 246 L CA -1.532 53.358 54.840 0.084 0.000 0.839 246 L CB 1.373 43.464 42.059 0.053 0.000 1.219 246 L HN 0.448 nan 8.230 nan 0.000 0.434 247 P HA -0.015 nan 4.420 nan 0.000 0.262 247 P C -0.483 176.873 177.300 0.093 0.000 1.182 247 P CA -0.056 63.084 63.100 0.067 0.000 0.761 247 P CB 0.817 32.489 31.700 -0.047 0.000 0.795 248 E N 2.451 122.659 120.200 0.014 0.000 2.052 248 E HA 0.231 4.581 4.350 0.000 0.000 0.283 248 E C -0.171 176.363 176.600 -0.111 0.000 1.071 248 E CA 0.024 56.437 56.400 0.022 0.000 0.851 248 E CB 0.269 29.979 29.700 0.015 0.000 1.066 248 E HN 0.219 nan 8.360 nan 0.000 0.396 249 K N 2.664 122.943 120.400 -0.201 0.000 2.422 249 K HA 0.221 4.541 4.320 0.000 0.000 0.251 249 K C -0.288 176.148 176.600 -0.274 0.000 0.933 249 K CA -0.686 55.322 56.287 -0.464 0.000 0.798 249 K CB 1.345 33.115 32.500 -1.216 0.000 1.238 249 K HN 0.295 nan 8.250 nan 0.000 0.428 250 D N 0.295 120.574 120.400 -0.202 0.000 2.107 250 D HA -0.007 4.633 4.640 0.000 0.000 0.204 250 D C -0.205 176.070 176.300 -0.043 0.000 0.978 250 D CA 1.216 55.177 54.000 -0.066 0.000 0.852 250 D CB 0.254 41.023 40.800 -0.052 0.000 1.008 250 D HN 0.299 nan 8.370 nan 0.000 0.458 251 S N 0.062 115.687 115.700 -0.125 0.000 2.437 251 S HA 0.332 4.803 4.470 0.000 0.000 0.305 251 S C -0.915 173.581 174.600 -0.172 0.000 1.109 251 S CA -0.673 57.496 58.200 -0.051 0.000 1.099 251 S CB 0.850 64.034 63.200 -0.027 0.000 1.004 251 S HN 0.122 nan 8.310 nan 0.000 0.475 252 W N 2.613 123.906 121.300 -0.011 0.000 2.335 252 W HA 0.409 5.069 4.660 0.000 0.000 0.307 252 W C 0.951 177.463 176.519 -0.011 0.000 1.117 252 W CA -0.619 56.719 57.345 -0.012 0.000 1.228 252 W CB 0.673 30.126 29.460 -0.012 0.000 1.240 252 W HN 0.601 nan 8.180 nan 0.000 0.468 253 T N -1.245 113.399 114.554 0.150 0.000 2.902 253 T HA 0.252 4.603 4.350 0.000 0.000 0.280 253 T C 0.984 175.756 174.700 0.119 0.000 0.992 253 T CA -0.817 61.341 62.100 0.097 0.000 1.015 253 T CB 1.348 70.237 68.868 0.035 0.000 1.044 253 T HN 0.215 nan 8.240 nan 0.000 0.520 254 V N 1.839 121.798 119.914 0.076 0.000 2.278 254 V HA -0.256 3.864 4.120 0.000 0.000 0.251 254 V C 2.861 178.994 176.094 0.064 0.000 1.062 254 V CA 2.596 64.933 62.300 0.062 0.000 1.038 254 V CB -1.388 30.457 31.823 0.036 0.000 0.646 254 V HN 1.018 nan 8.190 nan 0.000 0.447 255 N N 0.295 119.026 118.700 0.052 0.000 2.104 255 N HA -0.194 4.546 4.740 0.000 0.000 0.190 255 N C 1.497 177.051 175.510 0.074 0.000 1.024 255 N CA 1.920 54.996 53.050 0.044 0.000 0.853 255 N CB -0.299 38.200 38.487 0.020 0.000 1.008 255 N HN 0.512 nan 8.380 nan 0.000 0.424 256 D N 0.007 120.475 120.400 0.112 0.000 2.097 256 D HA -0.109 4.531 4.640 0.000 0.000 0.195 256 D C 2.039 178.531 176.300 0.320 0.000 0.989 256 D CA 1.018 55.138 54.000 0.200 0.000 0.827 256 D CB -0.277 40.630 40.800 0.179 0.000 0.966 256 D HN 0.428 nan 8.370 nan 0.000 0.456 257 I N 0.808 121.543 120.570 0.274 0.000 2.179 257 I HA -0.275 3.896 4.170 0.000 0.000 0.242 257 I C 2.642 178.799 176.117 0.067 0.000 1.088 257 I CA 1.054 62.431 61.300 0.129 0.000 1.357 257 I CB -0.316 37.721 38.000 0.063 0.000 1.051 257 I HN -0.054 nan 8.210 nan 0.000 0.409 258 Q N 0.932 120.771 119.800 0.064 0.000 2.045 258 Q HA -0.273 4.067 4.340 0.000 0.000 0.206 258 Q C 2.270 178.294 176.000 0.039 0.000 0.991 258 Q CA 1.942 57.768 55.803 0.038 0.000 0.851 258 Q CB -0.030 28.727 28.738 0.030 0.000 0.911 258 Q HN 0.405 nan 8.270 nan 0.000 0.418 259 K N 0.276 120.709 120.400 0.054 0.000 2.097 259 K HA -0.118 4.203 4.320 0.000 0.000 0.206 259 K C 2.039 178.675 176.600 0.059 0.000 1.049 259 K CA 0.860 57.174 56.287 0.046 0.000 0.933 259 K CB -0.175 32.352 32.500 0.046 0.000 0.717 259 K HN 0.205 nan 8.250 nan 0.000 0.442 260 L N 0.856 122.135 121.223 0.092 0.000 2.012 260 L HA -0.223 4.118 4.340 0.000 0.000 0.210 260 L C 2.064 178.948 176.870 0.023 0.000 1.073 260 L CA 1.448 56.330 54.840 0.071 0.000 0.748 260 L CB -0.226 41.852 42.059 0.032 0.000 0.891 260 L HN 0.041 nan 8.230 nan 0.000 0.431 261 V N -0.056 119.864 119.914 0.011 0.000 2.343 261 V HA -0.229 3.891 4.120 0.000 0.000 0.247 261 V C 2.638 178.756 176.094 0.040 0.000 1.051 261 V CA 1.838 64.144 62.300 0.009 0.000 1.036 261 V CB -1.359 30.464 31.823 0.000 0.000 0.654 261 V HN 0.647 nan 8.190 nan 0.000 0.451 262 G N -0.507 108.319 108.800 0.044 0.000 2.402 262 G HA2 -0.205 3.756 3.960 0.000 0.000 0.216 262 G HA3 -0.205 3.756 3.960 0.000 0.000 0.216 262 G C 1.691 176.649 174.900 0.098 0.000 1.162 262 G CA 0.642 45.776 45.100 0.058 0.000 0.777 262 G HN 0.454 nan 8.290 nan 0.000 0.539 263 K N -0.214 120.231 120.400 0.076 0.000 2.057 263 K HA 0.122 4.442 4.320 0.000 0.000 0.206 263 K C 2.538 179.219 176.600 0.135 0.000 1.050 263 K CA 0.600 56.949 56.287 0.103 0.000 0.935 263 K CB -0.261 32.274 32.500 0.059 0.000 0.715 263 K HN 0.263 nan 8.250 nan 0.000 0.439 264 L N 1.197 122.467 121.223 0.077 0.000 2.027 264 L HA -0.197 4.144 4.340 0.000 0.000 0.206 264 L C 2.066 178.989 176.870 0.088 0.000 1.074 264 L CA 0.955 55.826 54.840 0.051 0.000 0.745 264 L CB -0.542 41.522 42.059 0.008 0.000 0.898 264 L HN 0.195 nan 8.230 nan 0.000 0.433 265 N N -0.484 118.283 118.700 0.111 0.000 2.149 265 N HA -0.254 4.486 4.740 0.000 0.000 0.188 265 N C 1.539 177.165 175.510 0.193 0.000 1.019 265 N CA 1.324 54.453 53.050 0.131 0.000 0.857 265 N CB -0.285 38.280 38.487 0.130 0.000 0.997 265 N HN 0.513 nan 8.380 nan 0.000 0.426 266 W N 1.793 123.118 121.300 0.041 0.000 2.381 266 W HA -0.052 4.608 4.660 0.000 0.000 0.301 266 W C 1.924 178.510 176.519 0.112 0.000 1.205 266 W CA 1.452 58.830 57.345 0.055 0.000 1.285 266 W CB -0.098 29.360 29.460 -0.004 0.000 1.133 266 W HN 0.029 nan 8.180 nan 0.000 0.521 267 A N 0.799 123.704 122.820 0.141 0.000 1.972 267 A HA -0.237 4.083 4.320 0.000 0.000 0.219 267 A C 2.006 179.673 177.584 0.138 0.000 1.169 267 A CA 2.269 54.367 52.037 0.102 0.000 0.635 267 A CB -1.301 17.702 19.000 0.006 0.000 0.810 267 A HN 0.376 nan 8.150 nan 0.000 0.446 268 S N -0.271 115.478 115.700 0.083 0.000 2.465 268 S HA -0.269 4.201 4.470 0.000 0.000 0.241 268 S C 1.722 176.340 174.600 0.031 0.000 1.000 268 S CA 1.502 59.738 58.200 0.060 0.000 0.964 268 S CB -0.588 62.637 63.200 0.041 0.000 0.763 268 S HN 0.705 nan 8.310 nan 0.000 0.512 269 Q N -0.535 119.290 119.800 0.042 0.000 2.167 269 Q HA 0.124 4.464 4.340 0.000 0.000 0.202 269 Q C 1.519 177.618 176.000 0.165 0.000 0.970 269 Q CA 1.336 57.212 55.803 0.122 0.000 0.855 269 Q CB -0.078 28.771 28.738 0.186 0.000 0.911 269 Q HN 0.630 nan 8.270 nan 0.000 0.438 270 I N -1.986 118.604 120.570 0.034 0.000 4.655 270 I HA 0.074 4.244 4.170 0.000 0.000 0.333 270 I C -0.913 174.988 176.117 -0.359 0.000 1.312 270 I CA -0.150 61.018 61.300 -0.220 0.000 1.270 270 I CB 0.942 38.580 38.000 -0.604 0.000 1.318 270 I HN -0.090 nan 8.210 nan 0.000 0.456 271 Y N 3.377 123.620 120.300 -0.095 0.000 2.404 271 Y HA 0.500 5.050 4.550 0.000 0.000 0.344 271 Y C -2.192 173.673 175.900 -0.060 0.000 0.970 271 Y CA -2.666 55.386 58.100 -0.079 0.000 1.180 271 Y CB 0.421 38.841 38.460 -0.066 0.000 1.138 271 Y HN 0.025 nan 8.280 nan 0.000 0.510 272 P HA 0.221 nan 4.420 nan 0.000 0.278 272 P C 0.646 177.965 177.300 0.032 0.000 1.238 272 P CA 0.142 63.250 63.100 0.014 0.000 0.794 272 P CB 1.166 32.864 31.700 -0.004 0.000 0.955 273 G N 1.687 110.498 108.800 0.018 0.000 2.148 273 G HA2 -0.214 3.746 3.960 0.000 0.000 0.254 273 G HA3 -0.214 3.746 3.960 0.000 0.000 0.254 273 G C 0.202 175.108 174.900 0.010 0.000 0.981 273 G CA -0.497 44.610 45.100 0.012 0.000 0.670 273 G HN 0.474 nan 8.290 nan 0.000 0.528 274 I N 0.713 121.296 120.570 0.020 0.000 2.668 274 I HA 0.166 4.337 4.170 0.000 0.000 0.285 274 I C 0.817 176.934 176.117 0.000 0.000 1.168 274 I CA 0.884 62.192 61.300 0.012 0.000 1.424 274 I CB 0.602 38.619 38.000 0.028 0.000 1.377 274 I HN 0.132 nan 8.210 nan 0.000 0.560 275 K N 4.672 125.062 120.400 -0.016 0.000 2.259 275 K HA 0.485 4.805 4.320 0.000 0.000 0.252 275 K C 0.073 176.654 176.600 -0.033 0.000 0.936 275 K CA -0.483 55.788 56.287 -0.025 0.000 0.810 275 K CB 2.911 35.387 32.500 -0.039 0.000 1.143 275 K HN 0.328 nan 8.250 nan 0.000 0.427 276 V N 3.008 122.904 119.914 -0.029 0.000 3.382 276 V HA 0.054 4.174 4.120 0.000 0.000 0.296 276 V C 1.657 177.726 176.094 -0.042 0.000 1.529 276 V CA 0.163 62.442 62.300 -0.035 0.000 1.048 276 V CB 0.146 31.959 31.823 -0.016 0.000 0.878 276 V HN 0.719 nan 8.190 nan 0.000 0.442 277 R N 0.172 120.646 120.500 -0.043 0.000 2.097 277 R HA -0.210 4.130 4.340 0.000 0.000 0.236 277 R C 2.144 178.413 176.300 -0.052 0.000 1.135 277 R CA 2.307 58.380 56.100 -0.046 0.000 0.934 277 R CB 0.012 30.282 30.300 -0.051 0.000 0.846 277 R HN 0.431 nan 8.270 nan 0.000 0.431 278 Q N 0.349 120.112 119.800 -0.061 0.000 2.124 278 Q HA -0.131 4.210 4.340 0.000 0.000 0.202 278 Q C 2.277 178.230 176.000 -0.078 0.000 0.977 278 Q CA 1.247 57.009 55.803 -0.068 0.000 0.850 278 Q CB -0.227 28.466 28.738 -0.074 0.000 0.901 278 Q HN 0.430 nan 8.270 nan 0.000 0.429 279 L N -0.603 120.565 121.223 -0.091 0.000 2.093 279 L HA -0.166 4.175 4.340 0.000 0.000 0.208 279 L C 2.588 179.414 176.870 -0.074 0.000 1.085 279 L CA 0.685 55.460 54.840 -0.109 0.000 0.755 279 L CB -0.396 41.581 42.059 -0.135 0.000 0.904 279 L HN 0.214 nan 8.230 nan 0.000 0.435 280 C N -0.146 119.122 119.300 -0.053 0.000 2.453 280 C HA -0.133 4.328 4.460 0.000 0.000 0.277 280 C C 2.775 177.746 174.990 -0.031 0.000 1.262 280 C CA 0.535 59.533 59.018 -0.035 0.000 1.718 280 C CB -0.599 27.125 27.740 -0.027 0.000 2.031 280 C HN 0.406 nan 8.230 nan 0.000 0.480 281 K N 0.578 120.956 120.400 -0.036 0.000 2.173 281 K HA -0.185 4.135 4.320 0.000 0.000 0.207 281 K C 1.680 178.263 176.600 -0.028 0.000 1.046 281 K CA 1.278 57.547 56.287 -0.031 0.000 0.929 281 K CB -0.409 32.069 32.500 -0.036 0.000 0.720 281 K HN 0.559 nan 8.250 nan 0.000 0.453 282 L N 0.445 121.647 121.223 -0.036 0.000 2.056 282 L HA -0.159 4.181 4.340 0.000 0.000 0.207 282 L C 2.248 179.109 176.870 -0.015 0.000 1.078 282 L CA 0.938 55.760 54.840 -0.029 0.000 0.749 282 L CB -0.468 41.565 42.059 -0.044 0.000 0.901 282 L HN 0.090 nan 8.230 nan 0.000 0.433 283 L N -0.524 120.690 121.223 -0.014 0.000 2.353 283 L HA -0.093 4.248 4.340 0.000 0.000 0.220 283 L C 1.164 178.033 176.870 -0.002 0.000 1.133 283 L CA 0.320 55.158 54.840 -0.004 0.000 0.798 283 L CB -0.565 41.492 42.059 -0.002 0.000 0.922 283 L HN 0.156 nan 8.230 nan 0.000 0.445 284 R N 0.635 121.131 120.500 -0.006 0.000 2.640 284 R HA 0.297 4.637 4.340 0.000 0.000 0.270 284 R C 0.713 177.012 176.300 -0.001 0.000 1.024 284 R CA 0.781 56.878 56.100 -0.004 0.000 1.085 284 R CB 0.021 30.316 30.300 -0.008 0.000 0.963 284 R HN 0.285 nan 8.270 nan 0.000 0.426 285 G N 1.141 109.941 108.800 0.000 0.000 2.610 285 G HA2 -0.259 3.702 3.960 0.000 0.000 0.304 285 G HA3 -0.259 3.702 3.960 0.000 0.000 0.304 285 G C 0.451 175.353 174.900 0.003 0.000 1.309 285 G CA -0.331 44.770 45.100 0.002 0.000 0.906 285 G HN 0.537 nan 8.290 nan 0.000 0.521 286 T N 0.050 114.606 114.554 0.004 0.000 2.688 286 T HA 0.350 4.700 4.350 0.000 0.000 0.237 286 T C 0.748 175.451 174.700 0.006 0.000 1.120 286 T CA 1.435 63.538 62.100 0.004 0.000 1.469 286 T CB -0.458 68.412 68.868 0.004 0.000 1.032 286 T HN 1.570 nan 8.240 nan 0.000 0.405 287 K N 0.839 121.243 120.400 0.007 0.000 7.323 287 K HA 0.070 4.391 4.320 0.000 0.000 0.689 287 K C -0.274 176.332 176.600 0.009 0.000 2.565 287 K CA 0.276 56.568 56.287 0.009 0.000 1.883 287 K CB -0.914 31.593 32.500 0.012 0.000 1.982 287 K HN 0.773 nan 8.250 nan 0.000 0.295 288 A N 2.521 125.346 122.820 0.009 0.000 2.448 288 A HA 0.193 4.514 4.320 0.000 0.000 0.239 288 A C 1.294 178.884 177.584 0.010 0.000 1.080 288 A CA 0.212 52.253 52.037 0.007 0.000 0.779 288 A CB 0.206 19.210 19.000 0.006 0.000 1.026 288 A HN 0.697 nan 8.150 nan 0.000 0.499 289 L N 1.446 122.673 121.223 0.008 0.000 2.083 289 L HA -0.113 4.228 4.340 0.000 0.000 0.209 289 L C 2.681 179.559 176.870 0.012 0.000 1.083 289 L CA 2.870 57.716 54.840 0.010 0.000 0.752 289 L CB -0.480 41.582 42.059 0.005 0.000 0.899 289 L HN 0.932 nan 8.230 nan 0.000 0.433 290 T N -3.911 110.647 114.554 0.007 0.000 3.088 290 T HA -0.027 4.323 4.350 0.000 0.000 0.259 290 T C 0.904 175.610 174.700 0.009 0.000 1.122 290 T CA -0.274 61.828 62.100 0.004 0.000 1.095 290 T CB -0.425 68.441 68.868 -0.004 0.000 0.930 290 T HN 0.326 nan 8.240 nan 0.000 0.508 291 E N 1.522 121.730 120.200 0.014 0.000 2.465 291 E HA 0.176 4.526 4.350 0.000 0.000 0.260 291 E C -0.750 175.868 176.600 0.030 0.000 0.980 291 E CA -0.285 56.126 56.400 0.018 0.000 0.927 291 E CB 0.617 30.327 29.700 0.017 0.000 0.934 291 E HN 0.119 nan 8.360 nan 0.000 0.459 292 V N 6.428 126.361 119.914 0.030 0.000 2.488 292 V HA 0.078 4.199 4.120 0.000 0.000 0.277 292 V C 0.225 176.353 176.094 0.057 0.000 1.046 292 V CA -0.193 62.136 62.300 0.048 0.000 0.986 292 V CB 0.843 32.687 31.823 0.035 0.000 0.989 292 V HN 0.506 nan 8.190 nan 0.000 0.475 293 I N 6.959 127.580 120.570 0.086 0.000 2.354 293 I HA 0.383 4.553 4.170 0.000 0.000 0.286 293 I C -2.381 173.783 176.117 0.078 0.000 1.007 293 I CA -2.764 58.577 61.300 0.068 0.000 1.167 293 I CB 1.148 39.178 38.000 0.050 0.000 1.320 293 I HN 0.407 nan 8.210 nan 0.000 0.458 294 P HA 0.168 nan 4.420 nan 0.000 0.267 294 P C -0.233 177.079 177.300 0.020 0.000 1.209 294 P CA -0.356 62.773 63.100 0.048 0.000 0.763 294 P CB 0.520 32.239 31.700 0.031 0.000 0.816 295 L N 3.405 124.635 121.223 0.012 0.000 2.416 295 L HA 0.159 4.500 4.340 0.000 0.000 0.272 295 L C 1.448 178.296 176.870 -0.036 0.000 1.161 295 L CA 0.660 55.472 54.840 -0.046 0.000 0.845 295 L CB 0.014 42.016 42.059 -0.095 0.000 1.119 295 L HN 0.468 nan 8.230 nan 0.000 0.464 296 T N -0.813 113.712 114.554 -0.048 0.000 2.726 296 T HA 0.112 4.462 4.350 0.000 0.000 0.294 296 T C 0.967 175.642 174.700 -0.043 0.000 1.013 296 T CA -0.303 61.773 62.100 -0.039 0.000 0.996 296 T CB 0.670 69.512 68.868 -0.042 0.000 1.016 296 T HN 0.605 nan 8.240 nan 0.000 0.529 297 E N 0.269 120.448 120.200 -0.035 0.000 2.072 297 E HA -0.073 4.277 4.350 0.000 0.000 0.190 297 E C 1.975 178.548 176.600 -0.045 0.000 0.982 297 E CA 1.259 57.638 56.400 -0.035 0.000 0.803 297 E CB -0.415 29.269 29.700 -0.028 0.000 0.755 297 E HN 0.768 nan 8.360 nan 0.000 0.453 298 E N 0.155 120.326 120.200 -0.048 0.000 2.085 298 E HA -0.143 4.207 4.350 0.000 0.000 0.194 298 E C 1.881 178.439 176.600 -0.069 0.000 0.994 298 E CA 1.490 57.857 56.400 -0.055 0.000 0.801 298 E CB -0.460 29.209 29.700 -0.052 0.000 0.743 298 E HN 0.377 nan 8.360 nan 0.000 0.453 299 A N 0.436 123.207 122.820 -0.081 0.000 1.930 299 A HA -0.124 4.196 4.320 0.000 0.000 0.215 299 A C 2.056 179.563 177.584 -0.129 0.000 1.176 299 A CA 1.336 53.305 52.037 -0.113 0.000 0.632 299 A CB -0.333 18.588 19.000 -0.132 0.000 0.819 299 A HN 0.177 nan 8.150 nan 0.000 0.445 300 E N -0.653 119.485 120.200 -0.103 0.000 2.106 300 E HA -0.122 4.228 4.350 0.000 0.000 0.192 300 E C 1.722 178.278 176.600 -0.072 0.000 0.984 300 E CA 0.759 57.105 56.400 -0.090 0.000 0.806 300 E CB -0.089 29.578 29.700 -0.055 0.000 0.750 300 E HN 0.394 nan 8.360 nan 0.000 0.458 301 L N 0.931 122.117 121.223 -0.062 0.000 2.027 301 L HA -0.143 4.198 4.340 0.000 0.000 0.206 301 L C 2.226 179.061 176.870 -0.059 0.000 1.074 301 L CA 1.745 56.553 54.840 -0.052 0.000 0.745 301 L CB -0.904 41.127 42.059 -0.047 0.000 0.898 301 L HN 0.182 nan 8.230 nan 0.000 0.433 302 E N -0.523 119.634 120.200 -0.073 0.000 2.058 302 E HA -0.266 4.084 4.350 0.000 0.000 0.194 302 E C 2.219 178.768 176.600 -0.084 0.000 0.997 302 E CA 1.197 57.551 56.400 -0.076 0.000 0.801 302 E CB -0.129 29.520 29.700 -0.086 0.000 0.746 302 E HN 0.240 nan 8.360 nan 0.000 0.450 303 L N 0.701 121.858 121.223 -0.111 0.000 2.083 303 L HA -0.080 4.260 4.340 0.000 0.000 0.209 303 L C 2.150 178.975 176.870 -0.075 0.000 1.083 303 L CA 2.081 56.848 54.840 -0.122 0.000 0.752 303 L CB -0.745 41.198 42.059 -0.194 0.000 0.899 303 L HN 0.166 nan 8.230 nan 0.000 0.433 304 A N -0.854 121.931 122.820 -0.059 0.000 1.877 304 A HA -0.265 4.055 4.320 0.000 0.000 0.216 304 A C 2.318 179.882 177.584 -0.033 0.000 1.186 304 A CA 1.862 53.877 52.037 -0.036 0.000 0.620 304 A CB -0.738 18.243 19.000 -0.031 0.000 0.822 304 A HN 0.567 nan 8.150 nan 0.000 0.443 305 E N -0.323 119.854 120.200 -0.038 0.000 2.077 305 E HA -0.198 4.152 4.350 0.000 0.000 0.193 305 E C 1.845 178.426 176.600 -0.032 0.000 0.989 305 E CA 1.193 57.574 56.400 -0.032 0.000 0.800 305 E CB -0.102 29.577 29.700 -0.035 0.000 0.746 305 E HN 0.565 nan 8.360 nan 0.000 0.452 306 N N 0.452 119.126 118.700 -0.044 0.000 2.120 306 N HA -0.140 4.600 4.740 0.000 0.000 0.188 306 N C 1.750 177.226 175.510 -0.056 0.000 1.024 306 N CA 0.906 53.926 53.050 -0.050 0.000 0.852 306 N CB -0.193 38.256 38.487 -0.063 0.000 1.003 306 N HN 0.154 nan 8.380 nan 0.000 0.424 307 R N 0.856 121.329 120.500 -0.045 0.000 2.096 307 R HA -0.029 4.311 4.340 0.000 0.000 0.235 307 R C 1.884 178.165 176.300 -0.031 0.000 1.127 307 R CA 0.691 56.770 56.100 -0.035 0.000 0.968 307 R CB -0.033 30.258 30.300 -0.015 0.000 0.861 307 R HN 0.273 nan 8.270 nan 0.000 0.440 308 E N 0.921 121.107 120.200 -0.022 0.000 2.072 308 E HA -0.149 4.201 4.350 0.000 0.000 0.191 308 E C 1.996 178.595 176.600 -0.001 0.000 0.985 308 E CA 1.096 57.490 56.400 -0.010 0.000 0.801 308 E CB -0.024 29.671 29.700 -0.009 0.000 0.750 308 E HN 0.309 nan 8.360 nan 0.000 0.452 309 I N 0.656 121.225 120.570 -0.000 0.000 2.286 309 I HA -0.254 3.916 4.170 0.000 0.000 0.248 309 I C 2.129 178.267 176.117 0.034 0.000 1.115 309 I CA 0.825 62.151 61.300 0.043 0.000 1.392 309 I CB -0.086 37.943 38.000 0.048 0.000 1.065 309 I HN 0.034 nan 8.210 nan 0.000 0.418 310 L N 0.905 122.068 121.223 -0.101 0.000 2.591 310 L HA -0.013 4.327 4.340 0.000 0.000 0.228 310 L C 2.360 179.173 176.870 -0.096 0.000 1.133 310 L CA 0.196 54.891 54.840 -0.241 0.000 0.880 310 L CB -0.400 41.474 42.059 -0.309 0.000 1.033 310 L HN 0.281 nan 8.230 nan 0.000 0.450 311 K N -0.018 120.368 120.400 -0.024 0.000 2.148 311 K HA -0.028 4.293 4.320 0.000 0.000 0.204 311 K C 0.314 176.931 176.600 0.028 0.000 1.050 311 K CA 0.879 57.167 56.287 0.000 0.000 0.942 311 K CB 0.238 32.741 32.500 0.005 0.000 0.724 311 K HN 0.108 nan 8.250 nan 0.000 0.446 312 E N 1.884 122.121 120.200 0.062 0.000 2.187 312 E HA 0.301 4.652 4.350 0.000 0.000 0.268 312 E C -2.605 174.090 176.600 0.158 0.000 0.896 312 E CA -2.683 53.768 56.400 0.085 0.000 0.766 312 E CB 1.822 31.561 29.700 0.064 0.000 1.142 312 E HN 0.088 nan 8.360 nan 0.000 0.408 313 P HA 0.079 nan 4.420 nan 0.000 0.271 313 P C -0.570 176.732 177.300 0.003 0.000 1.233 313 P CA -0.128 63.055 63.100 0.137 0.000 0.764 313 P CB 0.514 32.290 31.700 0.126 0.000 0.825 314 V N 5.139 124.901 119.914 -0.253 0.000 2.472 314 V HA 0.315 4.435 4.120 0.000 0.000 0.290 314 V C 0.433 176.053 176.094 -0.791 0.000 1.037 314 V CA -0.464 61.508 62.300 -0.547 0.000 0.908 314 V CB 0.895 32.213 31.823 -0.842 0.000 0.985 314 V HN 0.612 nan 8.190 nan 0.000 0.454 315 H N 1.823 120.628 119.070 -0.441 0.000 2.754 315 H HA 0.743 5.299 4.556 0.000 0.000 0.352 315 H C 0.029 174.994 175.328 -0.605 0.000 1.213 315 H CA -0.389 55.355 56.048 -0.505 0.000 1.244 315 H CB 2.555 32.093 29.762 -0.374 0.000 1.843 315 H HN 0.804 nan 8.280 nan 0.000 0.587 316 G N 0.190 108.556 108.800 -0.724 0.000 2.563 316 G HA2 0.432 4.393 3.960 0.000 0.000 0.302 316 G HA3 0.432 4.393 3.960 0.000 0.000 0.302 316 G C -1.066 173.576 174.900 -0.430 0.000 1.301 316 G CA -0.369 44.303 45.100 -0.714 0.000 0.965 316 G HN 0.413 nan 8.290 nan 0.000 0.480 317 V N 0.762 120.617 119.914 -0.098 0.000 2.997 317 V HA 0.608 4.728 4.120 0.000 0.000 0.311 317 V C -0.482 175.677 176.094 0.109 0.000 1.066 317 V CA -0.780 61.496 62.300 -0.041 0.000 1.039 317 V CB 1.147 32.973 31.823 0.005 0.000 1.081 317 V HN 0.628 nan 8.190 nan 0.000 0.467 318 Y N 1.997 122.461 120.300 0.274 0.000 2.392 318 Y HA 0.332 4.882 4.550 0.000 0.000 0.323 318 Y C -0.307 175.743 175.900 0.250 0.000 1.291 318 Y CA -0.183 58.066 58.100 0.249 0.000 1.345 318 Y CB 0.742 39.290 38.460 0.147 0.000 1.320 318 Y HN 0.645 nan 8.280 nan 0.000 0.518 319 Y N 2.074 122.563 120.300 0.314 0.000 2.335 319 Y HA 0.151 4.701 4.550 0.000 0.000 0.331 319 Y C -0.506 175.459 175.900 0.109 0.000 1.094 319 Y CA -1.244 56.970 58.100 0.190 0.000 1.253 319 Y CB 0.561 39.211 38.460 0.317 0.000 1.203 319 Y HN 0.472 nan 8.280 nan 0.000 0.508 320 D N 8.951 129.174 120.400 -0.294 0.000 2.454 320 D HA 0.260 4.900 4.640 0.000 0.000 0.225 320 D C -2.035 173.803 176.300 -0.771 0.000 1.081 320 D CA -2.544 51.219 54.000 -0.394 0.000 0.864 320 D CB 1.622 42.319 40.800 -0.171 0.000 1.040 320 D HN 0.387 nan 8.370 nan 0.000 0.517 321 P HA -0.139 nan 4.420 nan 0.000 0.228 321 P C 1.154 178.282 177.300 -0.286 0.000 1.151 321 P CA 0.603 63.277 63.100 -0.711 0.000 0.770 321 P CB 0.199 31.669 31.700 -0.385 0.000 0.786 322 S N -1.242 114.322 115.700 -0.227 0.000 2.406 322 S HA -0.039 4.431 4.470 0.000 0.000 0.228 322 S C 1.067 175.605 174.600 -0.102 0.000 1.020 322 S CA 0.435 58.559 58.200 -0.128 0.000 0.965 322 S CB -0.580 62.557 63.200 -0.105 0.000 0.798 322 S HN 0.139 nan 8.310 nan 0.000 0.488 323 K N 1.153 121.480 120.400 -0.120 0.000 2.109 323 K HA 0.448 4.768 4.320 0.000 0.000 0.243 323 K C -1.087 175.475 176.600 -0.064 0.000 1.006 323 K CA -0.715 55.520 56.287 -0.086 0.000 0.917 323 K CB 0.385 32.834 32.500 -0.084 0.000 1.081 323 K HN 0.100 nan 8.250 nan 0.000 0.468 324 D N 0.762 121.119 120.400 -0.071 0.000 2.229 324 D HA 0.228 4.868 4.640 0.000 0.000 0.249 324 D C -0.581 175.626 176.300 -0.154 0.000 1.027 324 D CA -0.472 53.475 54.000 -0.089 0.000 0.923 324 D CB 0.839 41.583 40.800 -0.093 0.000 1.174 324 D HN 0.008 nan 8.370 nan 0.000 0.443 325 L N 1.823 122.909 121.223 -0.229 0.000 2.371 325 L HA 0.415 4.756 4.340 0.000 0.000 0.272 325 L C -0.067 176.543 176.870 -0.434 0.000 1.124 325 L CA -0.118 54.482 54.840 -0.401 0.000 0.816 325 L CB 0.493 42.248 42.059 -0.506 0.000 1.129 325 L HN 0.321 nan 8.230 nan 0.000 0.448 326 I N 2.675 122.901 120.570 -0.572 0.000 2.478 326 I HA 0.533 4.703 4.170 0.000 0.000 0.287 326 I C -0.227 175.422 176.117 -0.779 0.000 1.042 326 I CA -0.390 60.513 61.300 -0.661 0.000 1.067 326 I CB 1.899 39.512 38.000 -0.645 0.000 1.233 326 I HN 0.625 nan 8.210 nan 0.000 0.431 327 A N 5.695 128.129 122.820 -0.643 0.000 2.303 327 A HA 0.724 5.044 4.320 0.000 0.000 0.320 327 A C -0.525 176.960 177.584 -0.165 0.000 1.192 327 A CA -0.490 51.279 52.037 -0.446 0.000 0.821 327 A CB 0.713 19.348 19.000 -0.608 0.000 1.188 327 A HN 0.704 nan 8.150 nan 0.000 0.492 328 E N 1.961 122.167 120.200 0.009 0.000 2.171 328 E HA 0.541 4.891 4.350 0.000 0.000 0.271 328 E C -1.153 175.591 176.600 0.240 0.000 0.916 328 E CA -0.341 56.151 56.400 0.152 0.000 0.774 328 E CB 2.003 31.837 29.700 0.224 0.000 1.128 328 E HN 0.638 nan 8.360 nan 0.000 0.403 329 I N 2.156 122.869 120.570 0.238 0.000 2.530 329 I HA 0.285 4.455 4.170 0.000 0.000 0.297 329 I C -0.564 175.722 176.117 0.281 0.000 1.011 329 I CA -0.825 60.644 61.300 0.280 0.000 1.107 329 I CB 1.706 39.825 38.000 0.199 0.000 1.285 329 I HN 0.318 nan 8.210 nan 0.000 0.436 330 Q N 4.084 124.080 119.800 0.326 0.000 2.347 330 Q HA 0.389 4.729 4.340 0.000 0.000 0.271 330 Q C -0.921 175.225 176.000 0.244 0.000 1.064 330 Q CA -0.846 55.106 55.803 0.248 0.000 0.800 330 Q CB 2.689 31.514 28.738 0.145 0.000 1.304 330 Q HN 0.350 nan 8.270 nan 0.000 0.438 331 K N 1.932 122.384 120.400 0.086 0.000 2.276 331 K HA 0.124 4.444 4.320 0.000 0.000 0.283 331 K C -0.452 175.994 176.600 -0.257 0.000 1.044 331 K CA 0.040 56.107 56.287 -0.366 0.000 0.944 331 K CB 0.596 32.842 32.500 -0.423 0.000 1.012 331 K HN 0.768 nan 8.250 nan 0.000 0.472 332 Q N 2.776 122.373 119.800 -0.337 0.000 2.215 332 Q HA 0.339 4.680 4.340 0.000 0.000 0.337 332 Q C -0.119 175.757 176.000 -0.206 0.000 0.887 332 Q CA -0.702 54.986 55.803 -0.192 0.000 1.134 332 Q CB 0.907 29.586 28.738 -0.098 0.000 1.303 332 Q HN 0.808 nan 8.270 nan 0.000 0.421 333 G N 0.518 109.165 108.800 -0.255 0.000 2.381 333 G HA2 -0.109 3.852 3.960 0.000 0.000 0.672 333 G HA3 -0.109 3.852 3.960 0.000 0.000 0.672 333 G C -1.515 173.226 174.900 -0.266 0.000 1.324 333 G CA -1.094 43.882 45.100 -0.207 0.000 0.975 333 G HN 0.104 nan 8.290 nan 0.000 0.593 334 Q N 0.346 120.041 119.800 -0.174 0.000 2.313 334 Q HA 0.451 4.792 4.340 0.000 0.000 0.266 334 Q C 1.511 177.444 176.000 -0.112 0.000 0.989 334 Q CA 1.357 57.081 55.803 -0.132 0.000 0.890 334 Q CB 0.892 29.581 28.738 -0.082 0.000 1.200 334 Q HN 2.387 nan 8.270 nan 0.000 0.396 335 G N 2.968 111.736 108.800 -0.052 0.000 2.347 335 G HA2 -0.295 3.665 3.960 0.000 0.000 0.247 335 G HA3 -0.295 3.665 3.960 0.000 0.000 0.247 335 G C 0.113 174.999 174.900 -0.023 0.000 1.037 335 G CA 0.113 45.243 45.100 0.050 0.000 0.622 335 G HN 0.566 nan 8.290 nan 0.000 0.521 336 Q N -0.400 119.242 119.800 -0.263 0.000 2.279 336 Q HA 0.528 4.869 4.340 0.000 0.000 0.256 336 Q C -0.927 174.716 176.000 -0.595 0.000 0.937 336 Q CA -0.133 55.518 55.803 -0.254 0.000 0.933 336 Q CB 0.914 29.552 28.738 -0.167 0.000 1.189 336 Q HN 0.471 nan 8.270 nan 0.000 0.417 337 W N 0.747 122.130 121.300 0.138 0.000 2.998 337 W HA 0.387 5.047 4.660 0.001 0.000 0.335 337 W C -0.234 176.405 176.519 0.200 0.000 1.110 337 W CA -0.621 56.841 57.345 0.195 0.000 1.230 337 W CB 2.121 31.769 29.460 0.312 0.000 1.405 337 W HN 0.324 nan 8.180 nan 0.000 0.493 338 T N 2.571 117.346 114.554 0.369 0.000 2.863 338 T HA 0.674 5.024 4.350 0.000 0.000 0.285 338 T C -1.416 173.473 174.700 0.316 0.000 1.009 338 T CA -0.423 61.822 62.100 0.241 0.000 0.989 338 T CB 0.583 69.514 68.868 0.105 0.000 1.004 338 T HN 0.325 nan 8.240 nan 0.000 0.455 339 Y N 1.781 122.189 120.300 0.180 0.000 2.576 339 Y HA 0.860 5.410 4.550 0.001 0.000 0.346 339 Y C -1.149 174.831 175.900 0.134 0.000 1.018 339 Y CA -1.264 56.930 58.100 0.157 0.000 1.050 339 Y CB 1.498 40.049 38.460 0.151 0.000 1.280 339 Y HN 0.446 nan 8.280 nan 0.000 0.474 340 Q N 2.427 122.411 119.800 0.308 0.000 2.289 340 Q HA 0.632 4.972 4.340 0.000 0.000 0.270 340 Q C -1.726 174.383 176.000 0.182 0.000 1.038 340 Q CA -0.449 55.492 55.803 0.229 0.000 0.812 340 Q CB 3.127 32.021 28.738 0.261 0.000 1.300 340 Q HN 0.765 nan 8.270 nan 0.000 0.427 341 I N 3.426 124.078 120.570 0.137 0.000 2.406 341 I HA 0.593 4.763 4.170 0.000 0.000 0.290 341 I C -1.017 175.074 176.117 -0.044 0.000 0.999 341 I CA -0.947 60.300 61.300 -0.088 0.000 1.124 341 I CB 0.749 38.693 38.000 -0.095 0.000 1.289 341 I HN 0.606 nan 8.210 nan 0.000 0.441 342 Y N 2.892 123.098 120.300 -0.157 0.000 2.689 342 Y HA 0.571 5.121 4.550 0.001 0.000 0.333 342 Y C -0.125 175.644 175.900 -0.219 0.000 1.190 342 Y CA -0.949 57.054 58.100 -0.161 0.000 1.063 342 Y CB 1.085 39.458 38.460 -0.146 0.000 1.294 342 Y HN 0.458 nan 8.280 nan 0.000 0.466 343 Q N -0.537 119.325 119.800 0.102 0.000 2.477 343 Q HA 0.251 4.591 4.340 0.000 0.000 0.252 343 Q C -0.678 175.363 176.000 0.068 0.000 0.869 343 Q CA 0.134 55.938 55.803 0.002 0.000 0.969 343 Q CB 1.140 29.851 28.738 -0.045 0.000 1.144 343 Q HN 0.564 nan 8.270 nan 0.000 0.577 344 E N 1.801 122.024 120.200 0.039 0.000 2.165 344 E HA 0.304 4.655 4.350 0.000 0.000 0.266 344 E C -2.598 173.796 176.600 -0.344 0.000 0.889 344 E CA -2.327 54.014 56.400 -0.098 0.000 0.756 344 E CB 1.575 31.215 29.700 -0.100 0.000 1.131 344 E HN -0.077 nan 8.360 nan 0.000 0.411 345 P HA -0.152 nan 4.420 nan 0.000 0.252 345 P C -0.420 176.192 177.300 -1.148 0.000 1.136 345 P CA 0.903 63.180 63.100 -1.373 0.000 0.778 345 P CB -0.416 30.685 31.700 -0.998 0.000 0.722 346 F N 0.809 120.239 119.950 -0.866 0.000 2.953 346 F HA -0.262 4.265 4.527 0.000 0.000 0.292 346 F C 0.863 176.503 175.800 -0.266 0.000 0.747 346 F CA 0.538 58.240 58.000 -0.497 0.000 1.222 346 F CB -1.735 37.075 39.000 -0.318 0.000 1.457 346 F HN 0.332 nan 8.300 nan 0.000 0.383 347 K N 1.791 122.064 120.400 -0.211 0.000 2.363 347 K HA 0.190 4.511 4.320 0.000 0.000 0.240 347 K C 0.040 176.636 176.600 -0.007 0.000 1.169 347 K CA -0.438 55.795 56.287 -0.091 0.000 1.131 347 K CB 0.057 32.501 32.500 -0.094 0.000 1.771 347 K HN 0.087 nan 8.250 nan 0.000 0.380 348 N N 1.950 120.669 118.700 0.033 0.000 2.411 348 N HA -0.062 4.679 4.740 0.000 0.000 0.261 348 N C 1.148 176.724 175.510 0.111 0.000 1.248 348 N CA 0.108 53.225 53.050 0.112 0.000 0.885 348 N CB 0.661 39.190 38.487 0.070 0.000 1.062 348 N HN 0.245 nan 8.380 nan 0.000 0.471 349 L N 2.406 123.741 121.223 0.185 0.000 2.095 349 L HA 0.004 4.344 4.340 0.000 0.000 0.204 349 L C 0.928 178.116 176.870 0.531 0.000 1.080 349 L CA 1.449 56.483 54.840 0.324 0.000 0.759 349 L CB -0.141 42.052 42.059 0.222 0.000 0.914 349 L HN 0.688 nan 8.230 nan 0.000 0.439 350 K N -3.460 117.178 120.400 0.396 0.000 2.607 350 K HA 0.522 4.842 4.320 0.000 0.000 0.287 350 K C -1.128 175.595 176.600 0.205 0.000 0.996 350 K CA -0.796 55.735 56.287 0.405 0.000 0.876 350 K CB 1.278 34.041 32.500 0.437 0.000 1.496 350 K HN -0.329 nan 8.250 nan 0.000 0.415 351 T N -0.456 114.157 114.554 0.097 0.000 2.927 351 T HA 0.852 5.203 4.350 0.000 0.000 0.286 351 T C -0.501 173.998 174.700 -0.336 0.000 1.040 351 T CA -0.463 61.586 62.100 -0.085 0.000 1.010 351 T CB 1.720 70.545 68.868 -0.073 0.000 1.177 351 T HN 0.851 nan 8.240 nan 0.000 0.546 352 G N 0.481 108.800 108.800 -0.802 0.000 2.632 352 G HA2 0.629 4.589 3.960 0.000 0.000 0.292 352 G HA3 0.629 4.589 3.960 0.000 0.000 0.292 352 G C -1.998 172.483 174.900 -0.698 0.000 1.465 352 G CA -1.075 43.354 45.100 -1.118 0.000 0.824 352 G HN 0.807 nan 8.290 nan 0.000 0.509 353 K N -0.957 119.346 120.400 -0.162 0.000 2.328 353 K HA 0.822 5.142 4.320 0.000 0.000 0.246 353 K C -1.883 174.944 176.600 0.379 0.000 0.955 353 K CA -1.191 55.170 56.287 0.122 0.000 0.817 353 K CB 2.844 35.391 32.500 0.078 0.000 1.208 353 K HN 0.641 nan 8.250 nan 0.000 0.432 354 Y N 0.472 120.952 120.300 0.300 0.000 2.362 354 Y HA 0.558 5.108 4.550 0.000 0.000 0.326 354 Y C -2.112 173.984 175.900 0.327 0.000 1.083 354 Y CA -0.434 57.847 58.100 0.301 0.000 1.073 354 Y CB 2.139 40.777 38.460 0.297 0.000 1.211 354 Y HN 0.943 nan 8.280 nan 0.000 0.433 355 A N 6.120 128.726 122.820 -0.358 0.000 2.547 355 A HA 0.781 5.101 4.320 0.000 0.000 0.279 355 A C -1.594 175.733 177.584 -0.428 0.000 1.088 355 A CA -0.588 51.285 52.037 -0.274 0.000 0.796 355 A CB 1.052 20.004 19.000 -0.080 0.000 1.308 355 A HN 0.716 nan 8.150 nan 0.000 0.415 356 R N 2.190 122.385 120.500 -0.509 0.000 2.535 356 R HA 0.553 4.893 4.340 0.000 0.000 0.274 356 R C -1.608 174.639 176.300 -0.089 0.000 1.090 356 R CA -0.376 55.550 56.100 -0.290 0.000 0.930 356 R CB 1.276 31.383 30.300 -0.321 0.000 1.223 356 R HN 0.563 nan 8.270 nan 0.000 0.441 357 M N 4.863 124.448 119.600 -0.025 0.000 2.385 357 M HA 0.369 4.849 4.480 0.000 0.000 0.346 357 M C -0.592 175.726 176.300 0.030 0.000 1.180 357 M CA -0.388 54.923 55.300 0.018 0.000 1.154 357 M CB 0.663 33.267 32.600 0.007 0.000 1.251 357 M HN 0.516 nan 8.290 nan 0.000 0.430 358 R N 1.771 122.309 120.500 0.063 0.000 2.357 358 R HA 0.384 4.725 4.340 0.000 0.000 0.330 358 R C 0.860 177.192 176.300 0.053 0.000 1.102 358 R CA 0.467 56.609 56.100 0.071 0.000 0.974 358 R CB -0.118 30.246 30.300 0.106 0.000 1.002 358 R HN 0.917 nan 8.270 nan 0.000 0.463 359 G N 1.506 110.319 108.800 0.022 0.000 2.627 359 G HA2 -0.225 3.735 3.960 0.000 0.000 0.214 359 G HA3 -0.225 3.735 3.960 0.000 0.000 0.214 359 G C 0.321 175.166 174.900 -0.092 0.000 1.331 359 G CA -0.296 44.792 45.100 -0.021 0.000 0.891 359 G HN 0.537 nan 8.290 nan 0.000 0.539 360 A N -1.117 121.549 122.820 -0.257 0.000 1.956 360 A HA 0.460 4.780 4.320 0.000 0.000 0.212 360 A C 0.970 178.313 177.584 -0.402 0.000 1.188 360 A CA 1.874 53.670 52.037 -0.401 0.000 0.675 360 A CB -0.189 18.458 19.000 -0.589 0.000 0.845 360 A HN 1.239 nan 8.150 nan 0.000 0.455 361 H N -1.419 117.688 119.070 0.061 0.000 2.637 361 H HA 0.654 5.210 4.556 0.000 0.000 0.363 361 H C -1.147 174.215 175.328 0.056 0.000 1.131 361 H CA -0.130 55.947 56.048 0.050 0.000 1.183 361 H CB 1.433 31.220 29.762 0.041 0.000 1.637 361 H HN 0.087 nan 8.280 nan 0.000 0.531 362 T N 1.368 116.009 114.554 0.145 0.000 2.802 362 T HA 0.318 4.668 4.350 0.000 0.000 0.311 362 T C -1.327 173.383 174.700 0.017 0.000 1.405 362 T CA -0.939 61.205 62.100 0.073 0.000 1.016 362 T CB 1.803 70.717 68.868 0.076 0.000 1.352 362 T HN 0.910 nan 8.240 nan 0.000 0.498 363 N N 0.918 119.562 118.700 -0.093 0.000 2.402 363 N HA 0.465 5.205 4.740 0.000 0.000 0.294 363 N C 0.213 175.651 175.510 -0.119 0.000 1.203 363 N CA -0.697 52.256 53.050 -0.162 0.000 0.838 363 N CB 0.813 39.050 38.487 -0.417 0.000 1.306 363 N HN 0.334 nan 8.380 nan 0.000 0.510 364 D N -0.109 120.282 120.400 -0.015 0.000 2.190 364 D HA -0.120 4.521 4.640 0.000 0.000 0.200 364 D C 1.604 177.866 176.300 -0.063 0.000 0.992 364 D CA 1.010 55.102 54.000 0.154 0.000 0.854 364 D CB -0.100 40.845 40.800 0.242 0.000 0.936 364 D HN 0.402 nan 8.370 nan 0.000 0.462 365 V N 0.496 120.176 119.914 -0.390 0.000 2.307 365 V HA -0.206 3.914 4.120 0.000 0.000 0.245 365 V C 2.319 178.200 176.094 -0.355 0.000 1.045 365 V CA 1.448 63.426 62.300 -0.537 0.000 1.024 365 V CB -0.384 30.738 31.823 -1.168 0.000 0.651 365 V HN 0.104 nan 8.190 nan 0.000 0.449 366 K N -0.299 119.855 120.400 -0.410 0.000 2.026 366 K HA -0.186 4.135 4.320 0.000 0.000 0.208 366 K C 2.416 178.996 176.600 -0.032 0.000 1.048 366 K CA 1.533 57.773 56.287 -0.078 0.000 0.929 366 K CB -0.248 32.194 32.500 -0.095 0.000 0.713 366 K HN 0.466 nan 8.250 nan 0.000 0.439 367 Q N 0.414 120.173 119.800 -0.068 0.000 2.030 367 Q HA -0.216 4.124 4.340 0.000 0.000 0.204 367 Q C 2.240 177.921 176.000 -0.532 0.000 0.986 367 Q CA 1.465 57.220 55.803 -0.081 0.000 0.843 367 Q CB -0.282 28.598 28.738 0.237 0.000 0.904 367 Q HN 0.194 nan 8.270 nan 0.000 0.420 368 L N 0.698 121.492 121.223 -0.715 0.000 2.012 368 L HA -0.184 4.156 4.340 0.000 0.000 0.210 368 L C 2.215 178.760 176.870 -0.542 0.000 1.073 368 L CA 2.114 56.425 54.840 -0.883 0.000 0.748 368 L CB -0.982 40.741 42.059 -0.560 0.000 0.891 368 L HN 0.194 nan 8.230 nan 0.000 0.431 369 T N -0.783 113.645 114.554 -0.210 0.000 2.684 369 T HA -0.230 4.120 4.350 0.000 0.000 0.267 369 T C 1.709 176.245 174.700 -0.272 0.000 1.036 369 T CA 1.800 63.837 62.100 -0.105 0.000 1.148 369 T CB -0.345 68.665 68.868 0.237 0.000 0.863 369 T HN 0.458 nan 8.240 nan 0.000 0.436 370 E N 1.033 121.090 120.200 -0.237 0.000 2.085 370 E HA -0.089 4.261 4.350 0.000 0.000 0.194 370 E C 2.564 178.782 176.600 -0.637 0.000 0.994 370 E CA 1.032 57.272 56.400 -0.267 0.000 0.801 370 E CB -0.267 29.407 29.700 -0.042 0.000 0.743 370 E HN 0.519 nan 8.360 nan 0.000 0.453 371 A N 0.764 123.004 122.820 -0.967 0.000 1.877 371 A HA -0.154 4.166 4.320 0.000 0.000 0.216 371 A C 2.501 179.637 177.584 -0.746 0.000 1.186 371 A CA 1.259 52.574 52.037 -1.203 0.000 0.620 371 A CB -0.730 17.684 19.000 -0.978 0.000 0.822 371 A HN 0.130 nan 8.150 nan 0.000 0.443 372 V N -0.275 119.222 119.914 -0.694 0.000 2.380 372 V HA -0.324 3.797 4.120 0.000 0.000 0.251 372 V C 2.740 178.498 176.094 -0.561 0.000 1.063 372 V CA 2.430 64.239 62.300 -0.819 0.000 1.055 372 V CB -0.844 30.350 31.823 -1.049 0.000 0.657 372 V HN 0.584 nan 8.190 nan 0.000 0.455 373 Q N 0.094 119.634 119.800 -0.434 0.000 2.016 373 Q HA -0.140 4.200 4.340 0.000 0.000 0.200 373 Q C 2.375 178.246 176.000 -0.216 0.000 0.978 373 Q CA 1.608 57.249 55.803 -0.269 0.000 0.833 373 Q CB -0.495 28.122 28.738 -0.201 0.000 0.895 373 Q HN 0.493 nan 8.270 nan 0.000 0.427 374 K N 0.293 120.523 120.400 -0.283 0.000 2.074 374 K HA -0.183 4.137 4.320 0.000 0.000 0.209 374 K C 1.876 178.364 176.600 -0.187 0.000 1.048 374 K CA 1.494 57.663 56.287 -0.198 0.000 0.926 374 K CB -0.299 32.078 32.500 -0.205 0.000 0.713 374 K HN 0.267 nan 8.250 nan 0.000 0.444 375 I N 0.696 121.096 120.570 -0.284 0.000 2.252 375 I HA -0.216 3.954 4.170 0.000 0.000 0.245 375 I C 2.273 178.374 176.117 -0.027 0.000 1.102 375 I CA 1.222 62.374 61.300 -0.246 0.000 1.385 375 I CB -0.367 37.444 38.000 -0.315 0.000 1.064 375 I HN 0.128 nan 8.210 nan 0.000 0.414 376 T N 0.033 114.611 114.554 0.039 0.000 2.684 376 T HA -0.199 4.151 4.350 0.000 0.000 0.267 376 T C 1.942 176.652 174.700 0.016 0.000 1.036 376 T CA 2.213 64.357 62.100 0.073 0.000 1.148 376 T CB -0.493 68.399 68.868 0.039 0.000 0.863 376 T HN 0.367 nan 8.240 nan 0.000 0.436 377 T N 1.511 116.054 114.554 -0.019 0.000 2.674 377 T HA -0.126 4.224 4.350 0.000 0.000 0.265 377 T C 1.917 176.595 174.700 -0.037 0.000 1.039 377 T CA 1.542 63.630 62.100 -0.020 0.000 1.150 377 T CB -0.378 68.477 68.868 -0.022 0.000 0.864 377 T HN 0.554 nan 8.240 nan 0.000 0.427 378 E N 0.744 120.914 120.200 -0.050 0.000 2.114 378 E HA -0.183 4.167 4.350 0.000 0.000 0.199 378 E C 2.229 178.747 176.600 -0.137 0.000 1.008 378 E CA 1.539 57.885 56.400 -0.089 0.000 0.810 378 E CB -0.081 29.585 29.700 -0.058 0.000 0.739 378 E HN 0.397 nan 8.360 nan 0.000 0.456 379 S N 0.155 115.857 115.700 0.004 0.000 2.368 379 S HA -0.100 4.370 4.470 0.000 0.000 0.224 379 S C 1.942 176.575 174.600 0.055 0.000 1.029 379 S CA 1.069 59.372 58.200 0.172 0.000 0.988 379 S CB -0.186 63.143 63.200 0.215 0.000 0.838 379 S HN 0.278 nan 8.310 nan 0.000 0.462 380 I N 1.259 121.834 120.570 0.009 0.000 2.286 380 I HA -0.131 4.040 4.170 0.000 0.000 0.248 380 I C 2.129 178.210 176.117 -0.060 0.000 1.115 380 I CA 0.700 61.999 61.300 -0.003 0.000 1.392 380 I CB -0.399 37.608 38.000 0.010 0.000 1.065 380 I HN 0.128 nan 8.210 nan 0.000 0.418 381 V N 1.072 120.919 119.914 -0.111 0.000 2.244 381 V HA -0.252 3.869 4.120 0.000 0.000 0.244 381 V C 2.237 178.172 176.094 -0.265 0.000 1.042 381 V CA 2.001 64.212 62.300 -0.147 0.000 1.006 381 V CB -0.376 31.367 31.823 -0.134 0.000 0.641 381 V HN 0.287 nan 8.190 nan 0.000 0.446 382 I N -1.318 118.950 120.570 -0.503 0.000 2.162 382 I HA -0.189 3.982 4.170 0.000 0.000 0.238 382 I C 2.208 177.821 176.117 -0.840 0.000 1.076 382 I CA 1.726 62.488 61.300 -0.898 0.000 1.353 382 I CB -0.387 36.601 38.000 -1.688 0.000 1.063 382 I HN 0.359 nan 8.210 nan 0.000 0.408 383 W N 0.416 121.550 121.300 -0.277 0.000 3.177 383 W HA 0.382 5.043 4.660 0.000 0.000 0.309 383 W C 1.487 177.908 176.519 -0.164 0.000 1.224 383 W CA 0.601 57.705 57.345 -0.401 0.000 1.718 383 W CB -0.498 28.509 29.460 -0.756 0.000 1.078 383 W HN 0.400 nan 8.180 nan 0.000 0.618 384 G N 2.409 111.233 108.800 0.040 0.000 2.153 384 G HA2 -0.320 3.641 3.960 0.000 0.000 0.252 384 G HA3 -0.320 3.641 3.960 0.000 0.000 0.252 384 G C 0.128 175.075 174.900 0.079 0.000 0.994 384 G CA 0.943 46.076 45.100 0.055 0.000 0.698 384 G HN 0.397 nan 8.290 nan 0.000 0.521 385 K N -1.099 119.359 120.400 0.097 0.000 2.546 385 K HA 0.666 4.986 4.320 0.000 0.000 0.264 385 K C -0.100 176.532 176.600 0.053 0.000 0.937 385 K CA -0.392 55.939 56.287 0.073 0.000 0.833 385 K CB 0.972 33.518 32.500 0.076 0.000 1.378 385 K HN 0.416 nan 8.250 nan 0.000 0.432 386 T N 0.263 114.831 114.554 0.023 0.000 2.913 386 T HA 0.388 4.739 4.350 0.000 0.000 0.297 386 T C -1.886 172.743 174.700 -0.119 0.000 1.029 386 T CA -1.014 61.080 62.100 -0.010 0.000 1.104 386 T CB 0.458 69.344 68.868 0.030 0.000 0.964 386 T HN 0.516 nan 8.240 nan 0.000 0.532 387 P HA 0.438 nan 4.420 nan 0.000 0.281 387 P C -0.921 176.076 177.300 -0.505 0.000 1.281 387 P CA -0.993 61.818 63.100 -0.482 0.000 0.811 387 P CB 0.842 32.101 31.700 -0.735 0.000 1.154 388 K N 0.394 120.530 120.400 -0.440 0.000 2.227 388 K HA 0.409 4.729 4.320 0.000 0.000 0.280 388 K C -0.493 175.887 176.600 -0.366 0.000 1.041 388 K CA -0.216 55.906 56.287 -0.275 0.000 0.905 388 K CB 0.160 32.544 32.500 -0.193 0.000 1.068 388 K HN 0.295 nan 8.250 nan 0.000 0.470 389 F N 2.096 121.998 119.950 -0.081 0.000 2.399 389 F HA 0.343 4.870 4.527 0.000 0.000 0.328 389 F C 0.620 176.431 175.800 0.019 0.000 1.084 389 F CA -0.490 57.473 58.000 -0.061 0.000 1.053 389 F CB 1.149 40.091 39.000 -0.095 0.000 1.209 389 F HN 0.070 nan 8.300 nan 0.000 0.502 390 K N 4.757 125.289 120.400 0.221 0.000 2.559 390 K HA 0.479 4.800 4.320 0.000 0.000 0.249 390 K C -1.298 175.422 176.600 0.200 0.000 0.958 390 K CA -0.306 56.086 56.287 0.176 0.000 0.901 390 K CB 1.846 34.406 32.500 0.101 0.000 1.124 390 K HN 0.546 nan 8.250 nan 0.000 0.437 391 L N 3.706 125.083 121.223 0.256 0.000 2.334 391 L HA 0.453 4.793 4.340 0.000 0.000 0.273 391 L C -1.887 175.128 176.870 0.241 0.000 1.013 391 L CA -2.169 52.779 54.840 0.181 0.000 0.816 391 L CB 1.947 43.985 42.059 -0.035 0.000 1.278 391 L HN 0.267 nan 8.230 nan 0.000 0.431 392 P HA 0.218 nan 4.420 nan 0.000 0.214 392 P C -0.592 176.933 177.300 0.375 0.000 1.807 392 P CA 0.358 63.628 63.100 0.283 0.000 0.921 392 P CB 0.218 32.056 31.700 0.230 0.000 1.835 393 I N -0.392 120.463 120.570 0.476 0.000 2.722 393 I HA 0.261 4.431 4.170 0.000 0.000 0.295 393 I C -0.696 175.646 176.117 0.375 0.000 1.161 393 I CA -0.990 60.501 61.300 0.318 0.000 1.032 393 I CB 2.698 40.785 38.000 0.146 0.000 1.244 393 I HN -0.206 nan 8.210 nan 0.000 0.421 394 Q N 5.994 125.800 119.800 0.010 0.000 2.352 394 Q HA 0.171 4.511 4.340 0.000 0.000 0.260 394 Q C 0.608 176.734 176.000 0.209 0.000 0.976 394 Q CA -0.233 55.444 55.803 -0.209 0.000 0.881 394 Q CB 1.321 29.868 28.738 -0.318 0.000 1.235 394 Q HN 0.581 nan 8.270 nan 0.000 0.419 395 K N 1.945 122.460 120.400 0.191 0.000 2.113 395 K HA -0.242 4.078 4.320 0.000 0.000 0.208 395 K C 1.610 178.397 176.600 0.312 0.000 1.047 395 K CA 1.505 57.968 56.287 0.293 0.000 0.928 395 K CB 0.161 32.632 32.500 -0.047 0.000 0.716 395 K HN 0.685 nan 8.250 nan 0.000 0.446 396 E N 0.318 120.603 120.200 0.142 0.000 2.106 396 E HA -0.138 4.212 4.350 0.000 0.000 0.192 396 E C 1.543 178.220 176.600 0.128 0.000 0.984 396 E CA 1.409 57.874 56.400 0.110 0.000 0.806 396 E CB 0.119 29.834 29.700 0.024 0.000 0.750 396 E HN 0.184 nan 8.360 nan 0.000 0.458 397 T N 1.072 115.692 114.554 0.110 0.000 2.708 397 T HA -0.196 4.154 4.350 0.000 0.000 0.266 397 T C 1.263 176.070 174.700 0.180 0.000 1.037 397 T CA 1.283 63.426 62.100 0.073 0.000 1.146 397 T CB -0.525 68.346 68.868 0.005 0.000 0.865 397 T HN 0.433 nan 8.240 nan 0.000 0.435 398 W N 2.073 123.463 121.300 0.150 0.000 2.332 398 W HA -0.178 4.482 4.660 0.000 0.000 0.321 398 W C 2.039 178.748 176.519 0.317 0.000 1.219 398 W CA 1.600 59.105 57.345 0.267 0.000 1.277 398 W CB -0.431 29.229 29.460 0.334 0.000 1.161 398 W HN 0.234 nan 8.180 nan 0.000 0.476 399 E N 0.003 120.483 120.200 0.467 0.000 2.065 399 E HA -0.227 4.124 4.350 0.000 0.000 0.201 399 E C 2.166 178.840 176.600 0.124 0.000 1.016 399 E CA 3.063 59.641 56.400 0.296 0.000 0.818 399 E CB -0.984 28.872 29.700 0.261 0.000 0.749 399 E HN 0.088 nan 8.360 nan 0.000 0.453 400 T N 0.375 114.988 114.554 0.097 0.000 2.699 400 T HA -0.195 4.155 4.350 0.000 0.000 0.268 400 T C 1.288 175.979 174.700 -0.015 0.000 1.036 400 T CA 1.405 63.525 62.100 0.034 0.000 1.147 400 T CB -0.345 68.539 68.868 0.025 0.000 0.862 400 T HN 0.410 nan 8.240 nan 0.000 0.446 401 W N 0.207 121.342 121.300 -0.275 0.000 2.423 401 W HA -0.094 4.566 4.660 0.001 0.000 0.321 401 W C 1.673 177.869 176.519 -0.538 0.000 1.180 401 W CA 0.530 57.565 57.345 -0.517 0.000 1.322 401 W CB -0.758 28.254 29.460 -0.746 0.000 1.174 401 W HN 0.300 nan 8.180 nan 0.000 0.470 402 W N 1.601 122.512 121.300 -0.649 0.000 2.468 402 W HA -0.195 4.465 4.660 0.000 0.000 0.262 402 W C 2.846 179.142 176.519 -0.372 0.000 1.241 402 W CA 2.438 59.382 57.345 -0.667 0.000 1.232 402 W CB -0.612 28.436 29.460 -0.687 0.000 1.124 402 W HN -0.044 nan 8.180 nan 0.000 0.597 403 T N -3.291 111.216 114.554 -0.078 0.000 2.894 403 T HA -0.056 4.295 4.350 0.000 0.000 0.258 403 T C 1.453 176.091 174.700 -0.104 0.000 1.043 403 T CA 1.132 63.214 62.100 -0.031 0.000 1.141 403 T CB -0.371 68.509 68.868 0.020 0.000 0.873 403 T HN 0.150 nan 8.240 nan 0.000 0.449 404 E N -0.211 119.876 120.200 -0.189 0.000 2.208 404 E HA 0.031 4.382 4.350 0.000 0.000 0.193 404 E C 0.039 176.469 176.600 -0.283 0.000 0.988 404 E CA 0.183 56.466 56.400 -0.196 0.000 0.828 404 E CB -0.030 29.558 29.700 -0.186 0.000 0.763 404 E HN 0.478 nan 8.360 nan 0.000 0.478 405 Y N 0.374 120.206 120.300 -0.780 0.000 2.379 405 Y HA -0.055 4.495 4.550 0.001 0.000 0.337 405 Y C 0.537 176.100 175.900 -0.562 0.000 1.238 405 Y CA -1.091 56.363 58.100 -1.076 0.000 1.405 405 Y CB 0.375 37.747 38.460 -1.814 0.000 1.310 405 Y HN 0.036 nan 8.280 nan 0.000 0.569 406 W N 0.679 121.580 121.300 -0.666 0.000 3.077 406 W HA 0.294 4.954 4.660 0.000 0.000 0.266 406 W C -0.238 176.018 176.519 -0.438 0.000 1.300 406 W CA -0.302 56.767 57.345 -0.460 0.000 1.586 406 W CB -0.297 28.935 29.460 -0.380 0.000 1.103 406 W HN 0.210 nan 8.180 nan 0.000 0.652 407 Q N 1.515 120.818 119.800 -0.828 0.000 2.259 407 Q HA 0.505 4.845 4.340 0.000 0.000 0.246 407 Q C -0.273 175.755 176.000 0.045 0.000 0.920 407 Q CA -0.143 55.509 55.803 -0.250 0.000 0.895 407 Q CB 1.669 30.291 28.738 -0.193 0.000 1.220 407 Q HN 0.158 nan 8.270 nan 0.000 0.439 408 A N 1.899 124.761 122.820 0.071 0.000 2.301 408 A HA 0.608 4.929 4.320 0.000 0.000 0.298 408 A C -0.180 177.383 177.584 -0.036 0.000 1.185 408 A CA -0.093 51.975 52.037 0.053 0.000 0.830 408 A CB 0.740 19.756 19.000 0.027 0.000 1.112 408 A HN 0.565 nan 8.150 nan 0.000 0.508 409 T N 2.947 117.384 114.554 -0.194 0.000 2.903 409 T HA 0.634 4.984 4.350 0.000 0.000 0.299 409 T C -1.722 172.897 174.700 -0.134 0.000 1.093 409 T CA -0.330 61.489 62.100 -0.468 0.000 1.002 409 T CB 1.108 69.125 68.868 -1.418 0.000 1.127 409 T HN 0.756 nan 8.240 nan 0.000 0.488 410 W N 6.373 127.516 121.300 -0.261 0.000 3.132 410 W HA 0.598 5.259 4.660 0.001 0.000 0.337 410 W C -2.097 174.342 176.519 -0.133 0.000 1.082 410 W CA -1.172 56.105 57.345 -0.114 0.000 1.242 410 W CB 0.770 30.189 29.460 -0.069 0.000 1.354 410 W HN 0.759 nan 8.180 nan 0.000 0.461 411 I N 5.586 125.624 120.570 -0.888 0.000 2.474 411 I HA 0.657 4.828 4.170 0.000 0.000 0.294 411 I C -1.855 173.487 176.117 -1.291 0.000 1.005 411 I CA -2.503 58.190 61.300 -1.011 0.000 1.113 411 I CB 1.901 39.330 38.000 -0.953 0.000 1.289 411 I HN 0.092 nan 8.210 nan 0.000 0.436 412 P HA -0.025 nan 4.420 nan 0.000 0.300 412 P C -0.339 176.842 177.300 -0.198 0.000 1.294 412 P CA -0.159 62.650 63.100 -0.485 0.000 0.757 412 P CB 0.291 31.935 31.700 -0.093 0.000 1.377 413 E N 0.178 120.361 120.200 -0.028 0.000 2.729 413 E HA -0.017 4.333 4.350 0.000 0.000 0.246 413 E C -0.595 176.076 176.600 0.118 0.000 0.984 413 E CA 0.307 56.710 56.400 0.005 0.000 0.951 413 E CB -0.085 29.613 29.700 -0.004 0.000 0.914 413 E HN 0.307 nan 8.360 nan 0.000 0.509 414 W N 3.435 124.652 121.300 -0.139 0.000 3.167 414 W HA 0.587 5.247 4.660 0.000 0.000 0.324 414 W C -1.353 175.110 176.519 -0.094 0.000 1.230 414 W CA -0.843 56.434 57.345 -0.113 0.000 1.184 414 W CB 0.811 30.130 29.460 -0.234 0.000 1.414 414 W HN 0.357 nan 8.180 nan 0.000 0.551 415 E N 1.620 121.825 120.200 0.009 0.000 2.367 415 E HA 0.363 4.713 4.350 0.000 0.000 0.273 415 E C -1.692 175.021 176.600 0.189 0.000 0.903 415 E CA -1.077 55.239 56.400 -0.140 0.000 0.764 415 E CB 3.268 32.928 29.700 -0.066 0.000 1.252 415 E HN 0.304 nan 8.360 nan 0.000 0.446 416 F N 2.872 122.812 119.950 -0.016 0.000 2.427 416 F HA 0.384 4.912 4.527 0.000 0.000 0.352 416 F C -0.882 174.984 175.800 0.111 0.000 1.100 416 F CA -0.386 57.714 58.000 0.166 0.000 1.191 416 F CB 0.832 39.901 39.000 0.115 0.000 1.128 416 F HN 0.124 nan 8.300 nan 0.000 0.533 417 V N 7.275 126.811 119.914 -0.630 0.000 2.487 417 V HA 0.331 4.452 4.120 0.000 0.000 0.298 417 V C -0.456 175.041 176.094 -0.995 0.000 1.028 417 V CA -0.865 61.044 62.300 -0.653 0.000 0.860 417 V CB 1.472 33.187 31.823 -0.180 0.000 0.991 417 V HN 0.844 nan 8.190 nan 0.000 0.427 418 N N 4.271 122.444 118.700 -0.878 0.000 3.103 418 N HA 0.045 4.786 4.740 0.000 0.000 0.305 418 N C -0.092 175.339 175.510 -0.132 0.000 1.232 418 N CA 0.342 53.133 53.050 -0.431 0.000 1.190 418 N CB 0.075 38.491 38.487 -0.118 0.000 1.461 418 N HN 0.774 nan 8.380 nan 0.000 0.538 419 T N 2.039 116.545 114.554 -0.080 0.000 3.145 419 T HA 0.398 4.749 4.350 0.000 0.000 0.362 419 T C -2.645 172.087 174.700 0.054 0.000 1.340 419 T CA -1.993 60.106 62.100 -0.002 0.000 1.069 419 T CB 0.476 69.347 68.868 0.004 0.000 1.129 419 T HN 0.143 nan 8.240 nan 0.000 0.585 420 P HA 0.239 nan 4.420 nan 0.000 0.269 420 P C -2.394 174.936 177.300 0.050 0.000 1.209 420 P CA -1.083 62.060 63.100 0.071 0.000 0.776 420 P CB -0.102 31.636 31.700 0.063 0.000 0.876 421 P HA 0.178 nan 4.420 nan 0.000 0.276 421 P C -0.788 176.582 177.300 0.116 0.000 1.235 421 P CA -0.149 62.999 63.100 0.081 0.000 0.772 421 P CB 0.443 32.179 31.700 0.060 0.000 0.871 422 L N 3.758 125.063 121.223 0.136 0.000 2.395 422 L HA 0.147 4.487 4.340 0.000 0.000 0.269 422 L C 0.307 177.246 176.870 0.115 0.000 1.133 422 L CA -0.327 54.607 54.840 0.157 0.000 0.812 422 L CB 1.043 43.197 42.059 0.159 0.000 1.125 422 L HN 0.172 nan 8.230 nan 0.000 0.452 423 V N 4.385 124.376 119.914 0.129 0.000 2.408 423 V HA 0.335 4.455 4.120 0.000 0.000 0.267 423 V C 0.221 176.249 176.094 -0.109 0.000 1.047 423 V CA -0.423 61.924 62.300 0.079 0.000 0.937 423 V CB 0.320 32.239 31.823 0.160 0.000 0.999 423 V HN 0.846 nan 8.190 nan 0.000 0.472 424 K N 4.798 125.003 120.400 -0.325 0.000 2.439 424 K HA 0.754 5.074 4.320 0.000 0.000 0.260 424 K C -1.515 174.641 176.600 -0.740 0.000 1.032 424 K CA -1.121 54.825 56.287 -0.569 0.000 0.882 424 K CB 2.119 34.175 32.500 -0.740 0.000 1.420 424 K HN 0.329 nan 8.250 nan 0.000 0.455 425 L N 2.059 122.898 121.223 -0.640 0.000 2.262 425 L HA 0.309 4.649 4.340 0.000 0.000 0.288 425 L C -0.013 176.560 176.870 -0.496 0.000 1.035 425 L CA -0.718 53.797 54.840 -0.542 0.000 0.820 425 L CB 0.421 42.247 42.059 -0.388 0.000 1.204 425 L HN 0.708 nan 8.230 nan 0.000 0.424 426 W N 3.191 124.394 121.300 -0.162 0.000 2.611 426 W HA -0.042 4.618 4.660 0.000 0.000 0.251 426 W C 0.309 176.904 176.519 0.125 0.000 1.265 426 W CA 0.022 57.364 57.345 -0.006 0.000 1.295 426 W CB -0.257 29.237 29.460 0.056 0.000 1.129 426 W HN 0.492 nan 8.180 nan 0.000 0.630 427 Y N -2.940 117.415 120.300 0.091 0.000 2.713 427 Y HA 0.627 5.177 4.550 0.000 0.000 0.335 427 Y C -1.213 174.697 175.900 0.017 0.000 1.222 427 Y CA -2.219 55.913 58.100 0.054 0.000 1.061 427 Y CB 0.747 39.245 38.460 0.064 0.000 1.314 427 Y HN -0.229 nan 8.280 nan 0.000 0.453 428 Q N 1.549 121.452 119.800 0.171 0.000 2.268 428 Q HA 0.565 4.905 4.340 0.000 0.000 0.266 428 Q C -1.871 174.231 176.000 0.171 0.000 1.006 428 Q CA -0.474 55.374 55.803 0.075 0.000 0.824 428 Q CB 2.224 30.980 28.738 0.030 0.000 1.306 428 Q HN 0.795 nan 8.270 nan 0.000 0.424 429 L N 2.561 123.883 121.223 0.165 0.000 2.417 429 L HA 0.312 4.652 4.340 0.000 0.000 0.268 429 L C 0.508 177.458 176.870 0.133 0.000 1.158 429 L CA -0.673 54.258 54.840 0.153 0.000 0.819 429 L CB 0.590 42.721 42.059 0.120 0.000 1.112 429 L HN 0.540 nan 8.230 nan 0.000 0.458 430 E N 1.920 122.220 120.200 0.168 0.000 2.404 430 E HA 0.013 4.363 4.350 0.000 0.000 0.261 430 E C 0.404 177.187 176.600 0.305 0.000 1.074 430 E CA 0.132 56.667 56.400 0.226 0.000 0.917 430 E CB 0.860 30.718 29.700 0.262 0.000 0.965 430 E HN 0.417 nan 8.360 nan 0.000 0.433 431 K N 0.908 121.446 120.400 0.230 0.000 2.128 431 K HA 0.026 4.346 4.320 0.000 0.000 0.202 431 K C 0.283 177.047 176.600 0.274 0.000 1.050 431 K CA 0.706 57.124 56.287 0.218 0.000 0.966 431 K CB 0.394 32.961 32.500 0.111 0.000 0.759 431 K HN 0.346 nan 8.250 nan 0.000 0.454 432 E N 0.464 120.699 120.200 0.058 0.000 2.277 432 E HA 0.285 4.635 4.350 0.000 0.000 0.266 432 E C -2.693 173.455 176.600 -0.754 0.000 0.901 432 E CA -2.655 53.582 56.400 -0.271 0.000 0.782 432 E CB 1.379 30.995 29.700 -0.139 0.000 1.228 432 E HN -0.091 nan 8.360 nan 0.000 0.424 433 P HA 0.091 nan 4.420 nan 0.000 0.265 433 P C 0.015 177.108 177.300 -0.345 0.000 1.193 433 P CA 0.247 62.806 63.100 -0.902 0.000 0.765 433 P CB 0.297 31.663 31.700 -0.555 0.000 0.823 434 I N 2.284 122.749 120.570 -0.176 0.000 2.575 434 I HA 0.105 4.275 4.170 0.000 0.000 0.285 434 I C 0.615 176.703 176.117 -0.048 0.000 1.085 434 I CA -0.673 60.589 61.300 -0.064 0.000 1.403 434 I CB 0.395 38.397 38.000 0.004 0.000 1.409 434 I HN 0.059 nan 8.210 nan 0.000 0.557 435 V N 4.224 124.118 119.914 -0.034 0.000 2.481 435 V HA 0.520 4.640 4.120 0.000 0.000 0.286 435 V C 1.077 177.168 176.094 -0.004 0.000 1.042 435 V CA -0.201 62.087 62.300 -0.021 0.000 0.928 435 V CB 0.680 32.490 31.823 -0.021 0.000 0.986 435 V HN 1.133 nan 8.190 nan 0.000 0.462 436 G N 2.897 111.698 108.800 0.002 0.000 2.179 436 G HA2 -0.013 3.947 3.960 0.000 0.000 0.257 436 G HA3 -0.013 3.947 3.960 0.000 0.000 0.257 436 G C 0.181 175.093 174.900 0.019 0.000 1.010 436 G CA 0.250 45.355 45.100 0.009 0.000 0.736 436 G HN 1.659 nan 8.290 nan 0.000 0.513 437 A N -0.260 122.575 122.820 0.025 0.000 2.318 437 A HA 0.743 5.063 4.320 0.000 0.000 0.317 437 A C 0.181 177.802 177.584 0.061 0.000 1.159 437 A CA 0.009 52.072 52.037 0.044 0.000 0.799 437 A CB 0.907 19.933 19.000 0.043 0.000 1.194 437 A HN 0.577 nan 8.150 nan 0.000 0.479 438 E N 1.797 122.050 120.200 0.090 0.000 2.480 438 E HA 0.100 4.450 4.350 0.000 0.000 0.258 438 E C -0.491 176.197 176.600 0.147 0.000 0.984 438 E CA 0.393 56.847 56.400 0.089 0.000 0.930 438 E CB 0.357 30.118 29.700 0.102 0.000 0.936 438 E HN 0.550 nan 8.360 nan 0.000 0.466 439 T N 5.755 120.344 114.554 0.058 0.000 2.723 439 T HA 0.199 4.549 4.350 0.000 0.000 0.297 439 T C -0.604 174.108 174.700 0.019 0.000 0.925 439 T CA -0.181 61.939 62.100 0.034 0.000 1.030 439 T CB -0.104 68.749 68.868 -0.024 0.000 0.905 439 T HN 0.240 nan 8.240 nan 0.000 0.502 440 F N 3.333 123.205 119.950 -0.130 0.000 2.313 440 F HA 0.341 4.868 4.527 0.000 0.000 0.369 440 F C 0.048 175.800 175.800 -0.081 0.000 1.109 440 F CA -1.240 56.703 58.000 -0.094 0.000 1.132 440 F CB 0.298 39.170 39.000 -0.213 0.000 1.291 440 F HN 0.539 nan 8.300 nan 0.000 0.496 441 Y N 3.310 123.697 120.300 0.146 0.000 2.480 441 Y HA 0.381 4.931 4.550 0.000 0.000 0.341 441 Y C 0.440 176.436 175.900 0.160 0.000 1.031 441 Y CA -0.630 57.535 58.100 0.109 0.000 1.295 441 Y CB 0.482 38.973 38.460 0.053 0.000 1.162 441 Y HN 0.359 nan 8.280 nan 0.000 0.523 442 V N 0.428 120.483 119.914 0.235 0.000 2.850 442 V HA 0.795 4.915 4.120 0.000 0.000 0.315 442 V C -0.743 175.440 176.094 0.148 0.000 1.064 442 V CA -0.525 61.904 62.300 0.216 0.000 0.979 442 V CB 2.144 34.075 31.823 0.181 0.000 1.039 442 V HN 0.637 nan 8.190 nan 0.000 0.452 443 D N 0.760 121.240 120.400 0.133 0.000 2.622 443 D HA 0.714 5.354 4.640 0.000 0.000 0.255 443 D C -0.561 175.794 176.300 0.092 0.000 1.246 443 D CA 0.379 54.432 54.000 0.088 0.000 0.795 443 D CB 2.169 43.006 40.800 0.060 0.000 1.369 443 D HN 1.244 nan 8.370 nan 0.000 0.425 444 G N 0.384 109.231 108.800 0.078 0.000 3.627 444 G HA2 0.594 4.555 3.960 0.000 0.000 0.295 444 G HA3 0.594 4.555 3.960 0.000 0.000 0.295 444 G C -0.797 174.144 174.900 0.069 0.000 2.784 444 G CA 0.071 45.218 45.100 0.078 0.000 0.644 444 G HN 0.490 nan 8.290 nan 0.000 0.341 445 A N 0.792 123.648 122.820 0.060 0.000 2.331 445 A HA 0.932 5.253 4.320 0.000 0.000 0.283 445 A C 0.543 178.156 177.584 0.048 0.000 1.142 445 A CA 0.269 52.341 52.037 0.058 0.000 0.812 445 A CB 1.157 20.194 19.000 0.061 0.000 1.074 445 A HN 1.983 nan 8.150 nan 0.000 0.497 446 A N 2.564 125.410 122.820 0.043 0.000 2.386 446 A HA 0.612 4.932 4.320 0.000 0.000 0.311 446 A C -0.210 177.391 177.584 0.028 0.000 1.068 446 A CA -0.780 51.277 52.037 0.034 0.000 0.743 446 A CB 0.871 19.891 19.000 0.033 0.000 1.258 446 A HN 0.855 nan 8.150 nan 0.000 0.429 447 N N 0.710 119.423 118.700 0.022 0.000 2.488 447 N HA 0.086 4.826 4.740 0.000 0.000 0.274 447 N C 0.741 176.260 175.510 0.014 0.000 1.111 447 N CA -0.139 52.921 53.050 0.017 0.000 0.974 447 N CB 1.139 39.635 38.487 0.014 0.000 1.089 447 N HN 0.673 nan 8.380 nan 0.000 0.465 448 R N 2.498 123.005 120.500 0.012 0.000 2.189 448 R HA -0.062 4.278 4.340 0.000 0.000 0.223 448 R C 0.877 177.181 176.300 0.007 0.000 1.092 448 R CA 1.553 57.658 56.100 0.009 0.000 0.989 448 R CB 0.256 30.561 30.300 0.007 0.000 0.876 448 R HN 0.631 nan 8.270 nan 0.000 0.457 449 E N -1.990 118.214 120.200 0.007 0.000 2.110 449 E HA 0.010 4.360 4.350 0.000 0.000 0.193 449 E C 1.650 178.254 176.600 0.007 0.000 0.950 449 E CA 1.567 57.970 56.400 0.006 0.000 0.840 449 E CB -0.023 29.680 29.700 0.004 0.000 0.809 449 E HN 0.367 nan 8.360 nan 0.000 0.465 450 T N -1.331 113.227 114.554 0.007 0.000 3.118 450 T HA 0.041 4.391 4.350 0.000 0.000 0.260 450 T C 0.688 175.394 174.700 0.010 0.000 1.139 450 T CA 0.646 62.750 62.100 0.008 0.000 1.085 450 T CB -0.141 68.732 68.868 0.008 0.000 0.934 450 T HN 0.007 nan 8.240 nan 0.000 0.518 451 K N -0.536 119.870 120.400 0.011 0.000 3.363 451 K HA -0.125 4.195 4.320 0.000 0.000 0.313 451 K C -0.182 176.427 176.600 0.016 0.000 1.259 451 K CA 0.518 56.813 56.287 0.013 0.000 0.942 451 K CB -2.356 30.151 32.500 0.012 0.000 1.229 451 K HN 0.518 nan 8.250 nan 0.000 0.440 452 L N 0.889 122.121 121.223 0.016 0.000 2.433 452 L HA 0.197 4.537 4.340 0.000 0.000 0.275 452 L C 1.261 178.144 176.870 0.022 0.000 1.128 452 L CA 0.159 55.010 54.840 0.017 0.000 0.875 452 L CB 0.580 42.648 42.059 0.014 0.000 1.171 452 L HN 0.269 nan 8.230 nan 0.000 0.463 453 G N 3.119 111.934 108.800 0.026 0.000 2.504 453 G HA2 0.378 4.339 3.960 0.000 0.000 0.288 453 G HA3 0.378 4.339 3.960 0.000 0.000 0.288 453 G C -0.148 174.770 174.900 0.031 0.000 1.182 453 G CA -0.332 44.788 45.100 0.032 0.000 0.894 453 G HN 0.511 nan 8.290 nan 0.000 0.521 454 K N 0.356 120.777 120.400 0.036 0.000 3.333 454 K HA 0.325 4.645 4.320 0.000 0.000 0.173 454 K C -0.079 176.545 176.600 0.040 0.000 1.138 454 K CA -0.383 55.922 56.287 0.031 0.000 0.771 454 K CB 1.034 33.548 32.500 0.023 0.000 0.982 454 K HN 0.664 nan 8.250 nan 0.000 0.572 455 A N 0.282 123.134 122.820 0.053 0.000 2.425 455 A HA 0.747 5.067 4.320 0.000 0.000 0.249 455 A C 0.553 178.174 177.584 0.061 0.000 1.084 455 A CA 0.607 52.688 52.037 0.073 0.000 0.781 455 A CB 0.590 19.646 19.000 0.094 0.000 1.019 455 A HN 0.560 nan 8.150 nan 0.000 0.490 456 G N -0.275 108.574 108.800 0.082 0.000 2.489 456 G HA2 0.641 4.601 3.960 0.000 0.000 0.305 456 G HA3 0.641 4.601 3.960 0.000 0.000 0.305 456 G C -1.230 173.760 174.900 0.151 0.000 1.311 456 G CA 0.116 45.239 45.100 0.038 0.000 0.813 456 G HN 1.856 nan 8.290 nan 0.000 0.480 457 Y N -2.708 117.648 120.300 0.094 0.000 2.689 457 Y HA 0.814 5.364 4.550 0.000 0.000 0.333 457 Y C -1.307 174.631 175.900 0.064 0.000 1.208 457 Y CA -1.624 56.550 58.100 0.122 0.000 1.055 457 Y CB 1.285 39.889 38.460 0.238 0.000 1.304 457 Y HN 0.731 nan 8.280 nan 0.000 0.455 458 V N 1.455 121.572 119.914 0.340 0.000 2.808 458 V HA 0.725 4.845 4.120 0.000 0.000 0.308 458 V C -0.348 175.855 176.094 0.182 0.000 1.099 458 V CA -0.150 62.255 62.300 0.175 0.000 0.920 458 V CB 1.773 33.624 31.823 0.048 0.000 1.014 458 V HN 1.167 nan 8.190 nan 0.000 0.425 459 T N -0.604 113.966 114.554 0.026 0.000 2.949 459 T HA 0.318 4.668 4.350 0.000 0.000 0.287 459 T C 0.957 175.654 174.700 -0.006 0.000 1.034 459 T CA -0.293 61.744 62.100 -0.105 0.000 1.018 459 T CB 1.574 70.153 68.868 -0.481 0.000 1.135 459 T HN 0.711 nan 8.240 nan 0.000 0.532 460 N N 0.791 119.505 118.700 0.024 0.000 2.520 460 N HA -0.104 4.636 4.740 0.000 0.000 0.185 460 N C 0.959 176.465 175.510 -0.007 0.000 1.068 460 N CA 0.477 53.554 53.050 0.044 0.000 0.911 460 N CB -0.302 38.227 38.487 0.070 0.000 0.961 460 N HN 0.663 nan 8.380 nan 0.000 0.446 461 R N -0.246 120.228 120.500 -0.045 0.000 2.552 461 R HA 0.235 4.575 4.340 0.000 0.000 0.314 461 R C 0.675 176.950 176.300 -0.041 0.000 1.041 461 R CA 0.289 56.363 56.100 -0.042 0.000 1.076 461 R CB 0.072 30.342 30.300 -0.050 0.000 1.290 461 R HN 0.272 nan 8.270 nan 0.000 0.563 462 G N 1.718 110.495 108.800 -0.037 0.000 2.186 462 G HA2 -0.365 3.595 3.960 0.000 0.000 0.266 462 G HA3 -0.365 3.595 3.960 0.000 0.000 0.266 462 G C 0.195 175.078 174.900 -0.028 0.000 0.982 462 G CA 0.170 45.252 45.100 -0.031 0.000 0.670 462 G HN 0.303 nan 8.290 nan 0.000 0.533 463 R N 0.728 121.210 120.500 -0.030 0.000 2.491 463 R HA 0.361 4.702 4.340 0.000 0.000 0.283 463 R C 0.395 176.710 176.300 0.025 0.000 1.072 463 R CA 0.367 56.475 56.100 0.013 0.000 1.048 463 R CB 0.391 30.716 30.300 0.041 0.000 0.983 463 R HN 0.676 nan 8.270 nan 0.000 0.450 464 Q N 2.344 122.106 119.800 -0.062 0.000 2.271 464 Q HA 0.410 4.750 4.340 0.000 0.000 0.268 464 Q C -1.402 174.385 176.000 -0.354 0.000 1.021 464 Q CA -0.947 54.722 55.803 -0.223 0.000 0.802 464 Q CB 2.820 31.479 28.738 -0.131 0.000 1.282 464 Q HN 0.367 nan 8.270 nan 0.000 0.431 465 K N 1.593 121.565 120.400 -0.713 0.000 2.427 465 K HA 0.603 4.923 4.320 0.000 0.000 0.252 465 K C -1.592 174.776 176.600 -0.387 0.000 0.931 465 K CA -0.691 55.285 56.287 -0.518 0.000 0.793 465 K CB 2.169 34.348 32.500 -0.535 0.000 1.211 465 K HN 0.538 nan 8.250 nan 0.000 0.426 466 V N 4.787 124.589 119.914 -0.186 0.000 2.398 466 V HA 0.302 4.422 4.120 0.000 0.000 0.282 466 V C -0.139 175.924 176.094 -0.053 0.000 1.014 466 V CA -1.020 61.218 62.300 -0.104 0.000 0.838 466 V CB 0.779 32.557 31.823 -0.075 0.000 1.018 466 V HN 0.607 nan 8.190 nan 0.000 0.432 467 V N 1.887 121.787 119.914 -0.023 0.000 2.973 467 V HA 0.841 4.961 4.120 0.000 0.000 0.314 467 V C 0.098 176.200 176.094 0.013 0.000 1.066 467 V CA -0.088 62.214 62.300 0.002 0.000 1.021 467 V CB 1.938 33.774 31.823 0.022 0.000 1.076 467 V HN 0.742 nan 8.190 nan 0.000 0.462 468 T N 4.263 118.827 114.554 0.017 0.000 2.829 468 T HA 0.766 5.117 4.350 0.000 0.000 0.280 468 T C -0.617 174.099 174.700 0.028 0.000 0.999 468 T CA -0.210 61.902 62.100 0.020 0.000 0.983 468 T CB 1.242 70.118 68.868 0.013 0.000 0.968 468 T HN 0.617 nan 8.240 nan 0.000 0.446 469 L N 2.424 123.666 121.223 0.031 0.000 2.319 469 L HA 0.732 5.072 4.340 0.000 0.000 0.267 469 L C 0.586 177.472 176.870 0.028 0.000 1.011 469 L CA -0.722 54.139 54.840 0.035 0.000 0.818 469 L CB 1.968 44.054 42.059 0.044 0.000 1.316 469 L HN 0.782 nan 8.230 nan 0.000 0.432 470 T N -2.772 111.798 114.554 0.027 0.000 2.786 470 T HA 0.458 4.809 4.350 0.000 0.000 0.283 470 T C -0.263 174.450 174.700 0.021 0.000 0.992 470 T CA -0.641 61.472 62.100 0.022 0.000 0.954 470 T CB 0.888 69.767 68.868 0.019 0.000 0.934 470 T HN 0.677 nan 8.240 nan 0.000 0.440 471 D N 1.772 122.184 120.400 0.019 0.000 2.737 471 D HA -0.162 4.478 4.640 0.000 0.000 0.238 471 D C -0.082 176.231 176.300 0.021 0.000 1.157 471 D CA 1.580 55.591 54.000 0.018 0.000 0.694 471 D CB -0.949 39.860 40.800 0.015 0.000 1.021 471 D HN 1.005 nan 8.370 nan 0.000 0.420 472 T N -1.416 113.153 114.554 0.024 0.000 2.841 472 T HA 0.679 5.029 4.350 0.000 0.000 0.283 472 T C 0.701 175.416 174.700 0.025 0.000 1.000 472 T CA -0.328 61.789 62.100 0.029 0.000 0.977 472 T CB 1.805 70.696 68.868 0.038 0.000 0.979 472 T HN 0.196 nan 8.240 nan 0.000 0.446 473 T N 0.911 115.477 114.554 0.021 0.000 2.726 473 T HA 0.244 4.594 4.350 0.000 0.000 0.294 473 T C 1.300 176.011 174.700 0.017 0.000 1.013 473 T CA -0.682 61.424 62.100 0.009 0.000 0.996 473 T CB 0.237 69.099 68.868 -0.010 0.000 1.016 473 T HN 0.609 nan 8.240 nan 0.000 0.529 474 N N 0.251 118.956 118.700 0.008 0.000 2.244 474 N HA -0.126 4.614 4.740 0.000 0.000 0.183 474 N C 2.057 177.586 175.510 0.032 0.000 1.016 474 N CA 1.030 54.094 53.050 0.025 0.000 0.866 474 N CB -0.053 38.448 38.487 0.023 0.000 0.980 474 N HN 0.624 nan 8.380 nan 0.000 0.430 475 Q N 1.225 121.015 119.800 -0.016 0.000 1.993 475 Q HA -0.093 4.247 4.340 0.000 0.000 0.202 475 Q C 1.922 177.999 176.000 0.129 0.000 0.984 475 Q CA 1.155 56.949 55.803 -0.015 0.000 0.837 475 Q CB -0.116 28.462 28.738 -0.266 0.000 0.902 475 Q HN 0.303 nan 8.270 nan 0.000 0.423 476 K N 0.125 120.579 120.400 0.090 0.000 2.044 476 K HA -0.173 4.147 4.320 0.000 0.000 0.210 476 K C 2.336 178.996 176.600 0.099 0.000 1.049 476 K CA 1.980 58.327 56.287 0.099 0.000 0.927 476 K CB -0.347 32.193 32.500 0.066 0.000 0.713 476 K HN 0.402 nan 8.250 nan 0.000 0.443 477 T N -0.145 114.461 114.554 0.086 0.000 2.821 477 T HA -0.085 4.265 4.350 0.000 0.000 0.267 477 T C 1.693 176.456 174.700 0.105 0.000 1.046 477 T CA 0.778 62.931 62.100 0.088 0.000 1.139 477 T CB -0.117 68.794 68.868 0.071 0.000 0.871 477 T HN 0.083 nan 8.240 nan 0.000 0.454 478 E N 0.698 120.970 120.200 0.119 0.000 2.204 478 E HA 0.029 4.379 4.350 0.000 0.000 0.195 478 E C 1.945 178.625 176.600 0.134 0.000 0.990 478 E CA 0.543 57.023 56.400 0.134 0.000 0.821 478 E CB -0.234 29.566 29.700 0.165 0.000 0.750 478 E HN 0.391 nan 8.360 nan 0.000 0.477 479 L N 0.053 121.358 121.223 0.137 0.000 2.298 479 L HA -0.026 4.314 4.340 0.000 0.000 0.209 479 L C 2.302 179.236 176.870 0.106 0.000 1.084 479 L CA 1.030 55.932 54.840 0.103 0.000 0.816 479 L CB -0.046 42.077 42.059 0.107 0.000 0.967 479 L HN -0.035 nan 8.230 nan 0.000 0.460 480 Q N -1.017 118.857 119.800 0.123 0.000 2.230 480 Q HA -0.031 4.309 4.340 0.000 0.000 0.202 480 Q C 2.146 178.249 176.000 0.173 0.000 0.963 480 Q CA 1.205 57.106 55.803 0.164 0.000 0.866 480 Q CB -0.007 28.817 28.738 0.143 0.000 0.931 480 Q HN 0.519 nan 8.270 nan 0.000 0.452 481 A N 0.111 123.018 122.820 0.145 0.000 1.902 481 A HA -0.167 4.153 4.320 0.000 0.000 0.217 481 A C 1.936 179.602 177.584 0.136 0.000 1.181 481 A CA 1.335 53.467 52.037 0.158 0.000 0.623 481 A CB -0.558 18.530 19.000 0.145 0.000 0.818 481 A HN 0.445 nan 8.150 nan 0.000 0.443 482 I N -2.129 118.500 120.570 0.099 0.000 2.315 482 I HA -0.216 3.954 4.170 0.000 0.000 0.248 482 I C 2.395 178.538 176.117 0.043 0.000 1.117 482 I CA 1.280 62.604 61.300 0.040 0.000 1.404 482 I CB -0.313 37.699 38.000 0.021 0.000 1.071 482 I HN 0.497 nan 8.210 nan 0.000 0.419 483 Y N 1.213 121.486 120.300 -0.044 0.000 2.224 483 Y HA -0.188 4.362 4.550 0.000 0.000 0.289 483 Y C 2.148 178.016 175.900 -0.054 0.000 1.146 483 Y CA 1.377 59.443 58.100 -0.057 0.000 1.182 483 Y CB -0.297 38.146 38.460 -0.028 0.000 0.983 483 Y HN 0.049 nan 8.280 nan 0.000 0.524 484 L N -0.756 120.448 121.223 -0.032 0.000 2.005 484 L HA -0.197 4.143 4.340 0.000 0.000 0.207 484 L C 2.760 179.532 176.870 -0.163 0.000 1.072 484 L CA 1.253 56.065 54.840 -0.046 0.000 0.744 484 L CB -1.016 41.169 42.059 0.211 0.000 0.895 484 L HN 0.260 nan 8.230 nan 0.000 0.433 485 A N -0.048 122.626 122.820 -0.244 0.000 1.917 485 A HA -0.222 4.098 4.320 0.000 0.000 0.219 485 A C 2.233 179.299 177.584 -0.864 0.000 1.182 485 A CA 1.655 53.230 52.037 -0.770 0.000 0.633 485 A CB -0.763 17.931 19.000 -0.509 0.000 0.819 485 A HN 0.373 nan 8.150 nan 0.000 0.448 486 L N -1.248 119.702 121.223 -0.454 0.000 2.027 486 L HA -0.237 4.104 4.340 0.000 0.000 0.206 486 L C 2.953 179.621 176.870 -0.337 0.000 1.074 486 L CA 1.688 56.319 54.840 -0.349 0.000 0.745 486 L CB -0.454 41.507 42.059 -0.162 0.000 0.898 486 L HN 0.486 nan 8.230 nan 0.000 0.433 487 Q N -0.263 119.314 119.800 -0.372 0.000 2.020 487 Q HA -0.217 4.124 4.340 0.000 0.000 0.202 487 Q C 1.697 177.575 176.000 -0.204 0.000 0.982 487 Q CA 1.824 57.433 55.803 -0.324 0.000 0.838 487 Q CB 0.003 28.474 28.738 -0.444 0.000 0.899 487 Q HN 0.460 nan 8.270 nan 0.000 0.423 488 D N 0.338 120.633 120.400 -0.175 0.000 2.312 488 D HA -0.050 4.590 4.640 0.000 0.000 0.211 488 D C 0.739 177.036 176.300 -0.004 0.000 0.964 488 D CA 0.500 54.488 54.000 -0.019 0.000 0.877 488 D CB -0.077 40.834 40.800 0.185 0.000 0.924 488 D HN 0.164 nan 8.370 nan 0.000 0.515 489 S N -0.593 114.961 115.700 -0.244 0.000 2.634 489 S HA 0.529 4.999 4.470 0.000 0.000 0.261 489 S C 1.072 175.630 174.600 -0.070 0.000 1.271 489 S CA -0.458 57.633 58.200 -0.182 0.000 0.985 489 S CB 1.363 64.202 63.200 -0.602 0.000 0.968 489 S HN 0.132 nan 8.310 nan 0.000 0.568 490 G N -0.509 108.287 108.800 -0.007 0.000 2.873 490 G HA2 0.365 4.325 3.960 0.000 0.000 0.170 490 G HA3 0.365 4.325 3.960 0.000 0.000 0.170 490 G C 0.553 175.436 174.900 -0.029 0.000 1.608 490 G CA -0.485 44.614 45.100 -0.002 0.000 1.084 490 G HN 0.619 nan 8.290 nan 0.000 0.563 491 L N -0.703 120.513 121.223 -0.011 0.000 2.357 491 L HA 0.297 4.637 4.340 0.000 0.000 0.211 491 L C 0.683 177.548 176.870 -0.008 0.000 1.075 491 L CA 0.453 55.285 54.840 -0.013 0.000 0.830 491 L CB 0.158 42.217 42.059 -0.001 0.000 0.996 491 L HN 0.343 nan 8.230 nan 0.000 0.467 492 E N 0.332 120.535 120.200 0.005 0.000 2.145 492 E HA 0.448 4.798 4.350 0.000 0.000 0.270 492 E C -1.304 175.309 176.600 0.022 0.000 0.906 492 E CA -0.204 56.206 56.400 0.016 0.000 0.761 492 E CB 3.090 32.804 29.700 0.024 0.000 1.116 492 E HN -0.190 nan 8.360 nan 0.000 0.408 493 V N 3.840 123.763 119.914 0.016 0.000 2.888 493 V HA 0.369 4.489 4.120 0.000 0.000 0.309 493 V C -1.449 174.678 176.094 0.055 0.000 1.114 493 V CA -0.691 61.619 62.300 0.017 0.000 0.940 493 V CB 2.211 33.966 31.823 -0.113 0.000 1.021 493 V HN 0.671 nan 8.190 nan 0.000 0.426 494 N N 5.709 124.466 118.700 0.095 0.000 2.400 494 N HA 0.622 5.362 4.740 0.000 0.000 0.288 494 N C -1.278 174.267 175.510 0.058 0.000 1.024 494 N CA -0.315 52.808 53.050 0.121 0.000 0.894 494 N CB 2.252 40.808 38.487 0.115 0.000 1.173 494 N HN 0.541 nan 8.380 nan 0.000 0.487 495 I N 2.083 122.654 120.570 0.002 0.000 2.468 495 I HA 0.259 4.429 4.170 0.000 0.000 0.285 495 I C -0.504 175.566 176.117 -0.077 0.000 1.039 495 I CA -0.873 60.402 61.300 -0.042 0.000 1.074 495 I CB 2.061 40.014 38.000 -0.079 0.000 1.228 495 I HN 0.023 nan 8.210 nan 0.000 0.436 496 V N 4.593 124.428 119.914 -0.131 0.000 2.427 496 V HA 0.564 4.684 4.120 0.000 0.000 0.286 496 V C 0.115 176.184 176.094 -0.042 0.000 1.034 496 V CA -0.292 61.918 62.300 -0.150 0.000 0.893 496 V CB 1.605 33.193 31.823 -0.392 0.000 0.982 496 V HN 0.783 nan 8.190 nan 0.000 0.452 497 T N 1.567 116.106 114.554 -0.025 0.000 2.906 497 T HA 0.456 4.807 4.350 0.000 0.000 0.295 497 T C -0.096 174.533 174.700 -0.118 0.000 1.075 497 T CA -0.304 61.801 62.100 0.009 0.000 1.005 497 T CB 1.783 70.702 68.868 0.085 0.000 1.136 497 T HN 0.917 nan 8.240 nan 0.000 0.498 498 D N 0.403 120.745 120.400 -0.097 0.000 2.433 498 D HA 0.211 4.851 4.640 0.000 0.000 0.211 498 D C 0.375 176.804 176.300 0.215 0.000 1.114 498 D CA -0.180 53.677 54.000 -0.237 0.000 0.837 498 D CB 0.304 40.960 40.800 -0.241 0.000 0.984 498 D HN 0.244 nan 8.370 nan 0.000 0.505 499 S N 0.528 116.414 115.700 0.310 0.000 2.410 499 S HA 0.141 4.611 4.470 0.000 0.000 0.304 499 S C 1.007 175.833 174.600 0.377 0.000 1.095 499 S CA -0.555 57.850 58.200 0.342 0.000 1.089 499 S CB 1.240 64.586 63.200 0.244 0.000 0.968 499 S HN 0.230 nan 8.310 nan 0.000 0.480 500 Q N 5.419 125.390 119.800 0.286 0.000 2.119 500 Q HA -0.168 4.173 4.340 0.000 0.000 0.201 500 Q C 1.448 177.459 176.000 0.018 0.000 0.972 500 Q CA 1.889 57.654 55.803 -0.062 0.000 0.847 500 Q CB -0.452 28.169 28.738 -0.194 0.000 0.903 500 Q HN 0.923 nan 8.270 nan 0.000 0.433 501 Y N 0.610 120.915 120.300 0.008 0.000 2.014 501 Y HA -0.302 4.249 4.550 0.000 0.000 0.270 501 Y C 2.217 178.135 175.900 0.029 0.000 1.145 501 Y CA 2.269 60.383 58.100 0.023 0.000 1.106 501 Y CB -1.148 37.341 38.460 0.048 0.000 0.968 501 Y HN 0.209 nan 8.280 nan 0.000 0.484 502 A N 0.550 123.318 122.820 -0.087 0.000 1.869 502 A HA -0.295 4.025 4.320 0.000 0.000 0.218 502 A C 2.338 179.844 177.584 -0.130 0.000 1.203 502 A CA 2.299 54.235 52.037 -0.169 0.000 0.638 502 A CB -1.606 17.413 19.000 0.030 0.000 0.831 502 A HN 0.661 nan 8.150 nan 0.000 0.450 503 L N -0.214 120.990 121.223 -0.032 0.000 1.978 503 L HA -0.153 4.187 4.340 0.000 0.000 0.218 503 L C 2.567 179.401 176.870 -0.059 0.000 1.075 503 L CA 2.657 57.481 54.840 -0.028 0.000 0.767 503 L CB -1.026 41.026 42.059 -0.012 0.000 0.890 503 L HN 0.387 nan 8.230 nan 0.000 0.434 504 G N 0.003 108.739 108.800 -0.107 0.000 2.513 504 G HA2 -0.296 3.664 3.960 0.000 0.000 0.219 504 G HA3 -0.296 3.664 3.960 0.000 0.000 0.219 504 G C 1.488 176.403 174.900 0.026 0.000 1.160 504 G CA 1.267 46.314 45.100 -0.088 0.000 0.767 504 G HN 0.418 nan 8.290 nan 0.000 0.571 505 I N 0.947 121.456 120.570 -0.102 0.000 2.127 505 I HA -0.134 4.037 4.170 0.000 0.000 0.241 505 I C 2.833 178.931 176.117 -0.031 0.000 1.075 505 I CA 1.056 62.271 61.300 -0.142 0.000 1.334 505 I CB -1.305 36.416 38.000 -0.465 0.000 1.040 505 I HN 0.175 nan 8.210 nan 0.000 0.405 506 I N 0.177 120.729 120.570 -0.029 0.000 2.233 506 I HA -0.238 3.932 4.170 0.000 0.000 0.243 506 I C 2.766 178.972 176.117 0.147 0.000 1.093 506 I CA 0.930 62.259 61.300 0.048 0.000 1.380 506 I CB -0.512 37.489 38.000 0.001 0.000 1.067 506 I HN 0.228 nan 8.210 nan 0.000 0.413 507 Q N 0.797 120.696 119.800 0.164 0.000 2.096 507 Q HA -0.269 4.071 4.340 0.000 0.000 0.208 507 Q C 2.426 178.651 176.000 0.375 0.000 0.993 507 Q CA 2.101 58.069 55.803 0.276 0.000 0.862 507 Q CB -0.620 28.302 28.738 0.308 0.000 0.915 507 Q HN 0.603 nan 8.270 nan 0.000 0.416 508 A N 0.560 123.668 122.820 0.479 0.000 2.245 508 A HA -0.203 4.117 4.320 0.000 0.000 0.217 508 A C 0.678 178.349 177.584 0.145 0.000 1.171 508 A CA 1.023 53.273 52.037 0.355 0.000 0.688 508 A CB -0.447 18.802 19.000 0.415 0.000 0.781 508 A HN 0.547 nan 8.150 nan 0.000 0.479 509 Q N -1.811 118.053 119.800 0.106 0.000 2.452 509 Q HA -0.136 4.204 4.340 0.000 0.000 0.318 509 Q C -2.313 173.608 176.000 -0.131 0.000 1.386 509 Q CA 0.384 56.136 55.803 -0.085 0.000 0.872 509 Q CB -1.441 27.163 28.738 -0.222 0.000 1.151 509 Q HN 0.601 nan 8.270 nan 0.000 0.417 510 P HA 0.016 nan 4.420 nan 0.000 0.274 510 P C -0.106 177.260 177.300 0.109 0.000 1.231 510 P CA 0.306 63.436 63.100 0.050 0.000 0.790 510 P CB 0.724 32.482 31.700 0.097 0.000 0.951 511 D N -0.884 119.559 120.400 0.072 0.000 2.500 511 D HA 0.107 4.747 4.640 0.000 0.000 0.217 511 D C 0.180 176.500 176.300 0.033 0.000 1.159 511 D CA 0.065 54.128 54.000 0.106 0.000 0.828 511 D CB 0.401 41.320 40.800 0.199 0.000 1.039 511 D HN 0.377 nan 8.370 nan 0.000 0.512 512 Q N -0.175 119.653 119.800 0.046 0.000 2.352 512 Q HA 0.520 4.860 4.340 0.000 0.000 0.270 512 Q C -1.965 174.080 176.000 0.075 0.000 1.006 512 Q CA -0.561 55.263 55.803 0.034 0.000 0.880 512 Q CB 2.077 30.837 28.738 0.036 0.000 1.392 512 Q HN 0.035 nan 8.270 nan 0.000 0.401 513 S N 1.636 117.377 115.700 0.068 0.000 2.607 513 S HA 0.310 4.780 4.470 0.000 0.000 0.273 513 S C -0.157 174.496 174.600 0.090 0.000 1.148 513 S CA -0.388 57.893 58.200 0.135 0.000 0.833 513 S CB 1.895 65.204 63.200 0.182 0.000 1.130 513 S HN 0.769 nan 8.310 nan 0.000 0.470 514 E N 0.766 121.032 120.200 0.110 0.000 2.112 514 E HA 0.033 4.383 4.350 0.000 0.000 0.190 514 E C 0.311 176.948 176.600 0.063 0.000 0.979 514 E CA 0.436 56.872 56.400 0.059 0.000 0.814 514 E CB 0.092 29.810 29.700 0.030 0.000 0.762 514 E HN 0.412 nan 8.360 nan 0.000 0.460 515 S N 0.090 115.853 115.700 0.104 0.000 2.565 515 S HA 0.021 4.491 4.470 0.000 0.000 0.274 515 S C 0.763 175.368 174.600 0.009 0.000 1.309 515 S CA -0.412 57.827 58.200 0.065 0.000 1.043 515 S CB 1.393 64.652 63.200 0.099 0.000 0.939 515 S HN 0.081 nan 8.310 nan 0.000 0.504 516 E N 3.518 123.706 120.200 -0.020 0.000 2.047 516 E HA -0.052 4.299 4.350 0.000 0.000 0.191 516 E C 1.832 178.355 176.600 -0.129 0.000 0.987 516 E CA 1.211 57.573 56.400 -0.063 0.000 0.799 516 E CB -0.304 29.364 29.700 -0.053 0.000 0.752 516 E HN 0.771 nan 8.360 nan 0.000 0.449 517 L N -0.216 120.931 121.223 -0.127 0.000 2.021 517 L HA -0.258 4.082 4.340 0.000 0.000 0.215 517 L C 2.188 178.914 176.870 -0.241 0.000 1.074 517 L CA 1.472 56.187 54.840 -0.208 0.000 0.760 517 L CB -0.246 41.758 42.059 -0.092 0.000 0.889 517 L HN 0.157 nan 8.230 nan 0.000 0.433 518 V N -0.344 119.484 119.914 -0.144 0.000 2.358 518 V HA -0.259 3.862 4.120 0.000 0.000 0.246 518 V C 2.152 178.163 176.094 -0.138 0.000 1.047 518 V CA 1.880 64.092 62.300 -0.146 0.000 1.035 518 V CB -0.849 30.887 31.823 -0.144 0.000 0.658 518 V HN 0.513 nan 8.190 nan 0.000 0.452 519 N N 0.157 118.787 118.700 -0.116 0.000 2.223 519 N HA -0.185 4.555 4.740 0.000 0.000 0.185 519 N C 1.969 177.386 175.510 -0.154 0.000 1.016 519 N CA 1.355 54.341 53.050 -0.107 0.000 0.863 519 N CB -0.201 38.238 38.487 -0.081 0.000 0.983 519 N HN 0.606 nan 8.380 nan 0.000 0.429 520 Q N 0.503 120.150 119.800 -0.256 0.000 2.046 520 Q HA 0.052 4.392 4.340 0.000 0.000 0.200 520 Q C 2.192 178.014 176.000 -0.297 0.000 0.975 520 Q CA 0.791 56.368 55.803 -0.377 0.000 0.836 520 Q CB 0.015 28.262 28.738 -0.818 0.000 0.896 520 Q HN 0.341 nan 8.270 nan 0.000 0.428 521 I N 0.398 120.787 120.570 -0.301 0.000 2.163 521 I HA -0.317 3.853 4.170 0.000 0.000 0.243 521 I C 2.096 178.131 176.117 -0.136 0.000 1.085 521 I CA 1.175 62.404 61.300 -0.119 0.000 1.347 521 I CB -0.226 37.704 38.000 -0.118 0.000 1.044 521 I HN 0.220 nan 8.210 nan 0.000 0.408 522 I N 0.537 121.019 120.570 -0.147 0.000 2.118 522 I HA -0.358 3.813 4.170 0.000 0.000 0.241 522 I C 2.604 178.624 176.117 -0.162 0.000 1.070 522 I CA 1.694 62.903 61.300 -0.153 0.000 1.327 522 I CB -0.437 37.542 38.000 -0.034 0.000 1.034 522 I HN 0.273 nan 8.210 nan 0.000 0.405 523 E N 0.324 120.459 120.200 -0.108 0.000 2.070 523 E HA -0.298 4.052 4.350 0.000 0.000 0.197 523 E C 2.278 178.835 176.600 -0.072 0.000 1.004 523 E CA 1.391 57.743 56.400 -0.081 0.000 0.805 523 E CB 0.074 29.740 29.700 -0.056 0.000 0.744 523 E HN 0.386 nan 8.360 nan 0.000 0.451 524 Q N 0.155 119.925 119.800 -0.050 0.000 2.050 524 Q HA -0.148 4.192 4.340 0.000 0.000 0.202 524 Q C 2.497 178.411 176.000 -0.143 0.000 0.980 524 Q CA 1.120 56.890 55.803 -0.054 0.000 0.840 524 Q CB -0.362 28.383 28.738 0.011 0.000 0.898 524 Q HN 0.388 nan 8.270 nan 0.000 0.424 525 L N 0.097 121.161 121.223 -0.266 0.000 2.042 525 L HA -0.211 4.129 4.340 0.000 0.000 0.210 525 L C 2.441 179.100 176.870 -0.352 0.000 1.076 525 L CA 0.979 55.545 54.840 -0.456 0.000 0.749 525 L CB -0.495 40.971 42.059 -0.988 0.000 0.893 525 L HN 0.176 nan 8.230 nan 0.000 0.432 526 I N -0.340 120.088 120.570 -0.236 0.000 2.208 526 I HA -0.331 3.839 4.170 0.000 0.000 0.245 526 I C 2.535 178.667 176.117 0.025 0.000 1.097 526 I CA 1.500 62.808 61.300 0.013 0.000 1.363 526 I CB -0.228 37.804 38.000 0.053 0.000 1.051 526 I HN 0.235 nan 8.210 nan 0.000 0.413 527 K N 0.465 120.850 120.400 -0.024 0.000 2.057 527 K HA -0.070 4.250 4.320 0.000 0.000 0.206 527 K C 0.674 177.267 176.600 -0.012 0.000 1.050 527 K CA 0.699 56.978 56.287 -0.013 0.000 0.935 527 K CB -0.031 32.451 32.500 -0.029 0.000 0.715 527 K HN 0.156 nan 8.250 nan 0.000 0.439 528 K N 1.442 121.820 120.400 -0.036 0.000 2.414 528 K HA -0.042 4.278 4.320 0.000 0.000 0.272 528 K C 0.811 177.414 176.600 0.006 0.000 0.993 528 K CA 0.478 56.747 56.287 -0.029 0.000 0.964 528 K CB 0.800 33.264 32.500 -0.060 0.000 0.925 528 K HN 0.177 nan 8.250 nan 0.000 0.487 529 E N 1.545 121.752 120.200 0.010 0.000 2.051 529 E HA -0.069 4.281 4.350 0.000 0.000 0.189 529 E C -0.230 176.392 176.600 0.037 0.000 0.979 529 E CA 1.198 57.614 56.400 0.026 0.000 0.803 529 E CB 0.359 30.071 29.700 0.021 0.000 0.761 529 E HN 0.324 nan 8.360 nan 0.000 0.451 530 K N 0.260 120.679 120.400 0.032 0.000 2.468 530 K HA 0.447 4.768 4.320 0.000 0.000 0.252 530 K C -1.606 175.020 176.600 0.044 0.000 0.932 530 K CA -0.493 55.824 56.287 0.049 0.000 0.794 530 K CB 3.154 35.683 32.500 0.049 0.000 1.241 530 K HN -0.197 nan 8.250 nan 0.000 0.428 531 V N 3.130 123.085 119.914 0.068 0.000 2.524 531 V HA 0.263 4.384 4.120 0.000 0.000 0.297 531 V C -1.517 174.643 176.094 0.111 0.000 1.035 531 V CA -0.932 61.398 62.300 0.050 0.000 0.867 531 V CB 1.242 33.058 31.823 -0.012 0.000 1.004 531 V HN 0.693 nan 8.190 nan 0.000 0.426 532 Y N 5.585 125.886 120.300 0.002 0.000 2.331 532 Y HA 0.781 5.332 4.550 0.000 0.000 0.338 532 Y C -0.926 174.977 175.900 0.004 0.000 0.992 532 Y CA -1.026 57.081 58.100 0.012 0.000 1.121 532 Y CB 1.765 40.229 38.460 0.008 0.000 1.184 532 Y HN 0.607 nan 8.280 nan 0.000 0.469 533 L N 6.220 127.026 121.223 -0.694 0.000 2.343 533 L HA 0.869 5.209 4.340 0.000 0.000 0.278 533 L C -1.003 175.548 176.870 -0.532 0.000 0.996 533 L CA -0.278 54.307 54.840 -0.425 0.000 0.831 533 L CB 1.011 42.950 42.059 -0.200 0.000 1.232 533 L HN 0.758 nan 8.230 nan 0.000 0.413 534 A N 3.924 126.584 122.820 -0.267 0.000 2.313 534 A HA 0.807 5.127 4.320 0.000 0.000 0.323 534 A C -1.954 175.678 177.584 0.081 0.000 1.133 534 A CA -0.557 51.437 52.037 -0.071 0.000 0.847 534 A CB 0.988 20.040 19.000 0.088 0.000 1.308 534 A HN 0.789 nan 8.150 nan 0.000 0.475 535 W N 0.590 121.866 121.300 -0.040 0.000 2.915 535 W HA 0.574 5.234 4.660 0.000 0.000 0.337 535 W C -1.248 175.277 176.519 0.011 0.000 1.102 535 W CA -0.494 56.839 57.345 -0.020 0.000 1.224 535 W CB 1.977 31.416 29.460 -0.036 0.000 1.416 535 W HN 0.843 nan 8.180 nan 0.000 0.503 536 V N 2.981 122.248 119.914 -1.079 0.000 2.962 536 V HA 0.742 4.863 4.120 0.000 0.000 0.313 536 V C -2.780 172.284 176.094 -1.717 0.000 1.099 536 V CA -2.971 58.706 62.300 -1.038 0.000 0.971 536 V CB 1.683 33.254 31.823 -0.419 0.000 1.028 536 V HN 0.478 nan 8.190 nan 0.000 0.430 537 P HA 0.460 nan 4.420 nan 0.000 0.282 537 P C 0.007 177.095 177.300 -0.352 0.000 1.262 537 P CA 0.186 62.925 63.100 -0.601 0.000 0.773 537 P CB 0.961 32.578 31.700 -0.138 0.000 0.879 538 A N 3.681 126.316 122.820 -0.308 0.000 2.429 538 A HA 0.093 4.413 4.320 0.000 0.000 0.242 538 A C 0.792 178.186 177.584 -0.317 0.000 1.088 538 A CA 0.146 51.947 52.037 -0.394 0.000 0.784 538 A CB -0.836 17.824 19.000 -0.567 0.000 1.038 538 A HN 0.823 nan 8.150 nan 0.000 0.501 539 H N -1.034 118.018 119.070 -0.030 0.000 3.284 539 H HA -0.165 4.391 4.556 0.000 0.000 0.257 539 H C 0.650 175.965 175.328 -0.021 0.000 1.091 539 H CA 1.646 57.683 56.048 -0.019 0.000 1.190 539 H CB -1.302 28.458 29.762 -0.003 0.000 1.268 539 H HN 0.673 nan 8.280 nan 0.000 0.322 540 K N 0.666 121.075 120.400 0.015 0.000 2.444 540 K HA 0.257 4.577 4.320 0.000 0.000 0.193 540 K C 1.288 177.882 176.600 -0.010 0.000 1.024 540 K CA 0.757 57.047 56.287 0.005 0.000 1.077 540 K CB 0.388 32.877 32.500 -0.018 0.000 0.833 540 K HN 0.551 nan 8.250 nan 0.000 0.517 541 G N 1.540 110.330 108.800 -0.016 0.000 2.324 541 G HA2 -0.260 3.700 3.960 0.000 0.000 0.292 541 G HA3 -0.260 3.700 3.960 0.000 0.000 0.292 541 G C -0.331 174.544 174.900 -0.042 0.000 1.079 541 G CA -0.240 44.846 45.100 -0.024 0.000 1.026 541 G HN 0.185 nan 8.290 nan 0.000 0.506 542 I N 1.065 121.598 120.570 -0.061 0.000 2.416 542 I HA 0.419 4.589 4.170 0.000 0.000 0.288 542 I C 1.533 177.590 176.117 -0.099 0.000 1.051 542 I CA 0.502 61.765 61.300 -0.062 0.000 1.375 542 I CB 1.376 39.342 38.000 -0.057 0.000 1.407 542 I HN 0.299 nan 8.210 nan 0.000 0.516 543 G N 4.518 113.261 108.800 -0.095 0.000 2.401 543 G HA2 0.352 4.312 3.960 0.000 0.000 0.288 543 G HA3 0.352 4.312 3.960 0.000 0.000 0.288 543 G C 0.889 175.584 174.900 -0.340 0.000 0.917 543 G CA 0.603 45.612 45.100 -0.151 0.000 1.610 543 G HN 1.118 nan 8.290 nan 0.000 0.439 544 G N 2.292 110.796 108.800 -0.492 0.000 2.909 544 G HA2 -0.290 3.670 3.960 0.000 0.000 0.198 544 G HA3 -0.290 3.670 3.960 0.000 0.000 0.198 544 G C 1.340 175.868 174.900 -0.620 0.000 1.124 544 G CA 0.574 45.034 45.100 -1.067 0.000 0.796 544 G HN 0.666 nan 8.290 nan 0.000 0.489 545 N N 1.243 119.774 118.700 -0.282 0.000 2.080 545 N HA -0.101 4.639 4.740 0.000 0.000 0.189 545 N C 1.892 177.351 175.510 -0.085 0.000 1.036 545 N CA 1.853 54.863 53.050 -0.066 0.000 0.846 545 N CB -0.107 38.352 38.487 -0.046 0.000 1.015 545 N HN 0.609 nan 8.380 nan 0.000 0.423 546 E N 0.262 120.402 120.200 -0.100 0.000 2.085 546 E HA -0.250 4.100 4.350 0.000 0.000 0.194 546 E C 2.021 178.583 176.600 -0.063 0.000 0.994 546 E CA 1.383 57.743 56.400 -0.065 0.000 0.801 546 E CB 0.066 29.729 29.700 -0.063 0.000 0.743 546 E HN 0.408 nan 8.360 nan 0.000 0.453 547 Q N -0.304 119.435 119.800 -0.102 0.000 2.084 547 Q HA -0.152 4.188 4.340 0.000 0.000 0.202 547 Q C 2.200 178.166 176.000 -0.057 0.000 0.978 547 Q CA 1.854 57.602 55.803 -0.091 0.000 0.844 547 Q CB -0.004 28.652 28.738 -0.137 0.000 0.898 547 Q HN 0.211 nan 8.270 nan 0.000 0.426 548 V N 0.509 120.398 119.914 -0.042 0.000 2.358 548 V HA -0.227 3.893 4.120 0.000 0.000 0.246 548 V C 1.784 177.882 176.094 0.005 0.000 1.047 548 V CA 1.840 64.143 62.300 0.006 0.000 1.035 548 V CB -0.673 31.190 31.823 0.067 0.000 0.658 548 V HN 0.338 nan 8.190 nan 0.000 0.452 549 D N 0.315 120.715 120.400 0.001 0.000 2.158 549 D HA -0.183 4.457 4.640 0.000 0.000 0.197 549 D C 2.193 178.502 176.300 0.016 0.000 0.995 549 D CA 1.373 55.382 54.000 0.016 0.000 0.846 549 D CB -0.091 40.722 40.800 0.022 0.000 0.941 549 D HN 0.377 nan 8.370 nan 0.000 0.456 550 K N -0.506 119.893 120.400 -0.000 0.000 1.987 550 K HA -0.171 4.149 4.320 0.000 0.000 0.216 550 K C 2.251 178.848 176.600 -0.006 0.000 1.051 550 K CA 1.686 57.971 56.287 -0.005 0.000 0.942 550 K CB -0.543 31.947 32.500 -0.017 0.000 0.722 550 K HN 0.266 nan 8.250 nan 0.000 0.444 551 L N -0.974 120.241 121.223 -0.015 0.000 2.291 551 L HA -0.034 4.306 4.340 0.000 0.000 0.214 551 L C 2.108 178.972 176.870 -0.011 0.000 1.120 551 L CA 1.045 55.873 54.840 -0.020 0.000 0.799 551 L CB -0.751 41.286 42.059 -0.037 0.000 0.925 551 L HN -0.156 nan 8.230 nan 0.000 0.446 552 V N -0.434 119.481 119.914 0.001 0.000 2.346 552 V HA -0.111 4.009 4.120 0.000 0.000 0.244 552 V C 2.396 178.503 176.094 0.021 0.000 1.037 552 V CA 1.857 64.165 62.300 0.014 0.000 1.029 552 V CB -0.124 31.717 31.823 0.029 0.000 0.663 552 V HN 0.535 nan 8.190 nan 0.000 0.454 553 S N 0.292 116.007 115.700 0.026 0.000 2.561 553 S HA 0.177 4.647 4.470 0.000 0.000 0.225 553 S C 1.180 175.791 174.600 0.017 0.000 0.977 553 S CA 0.454 58.672 58.200 0.030 0.000 0.926 553 S CB -0.268 62.959 63.200 0.046 0.000 0.769 553 S HN 0.525 nan 8.310 nan 0.000 0.533 554 A N 2.033 124.858 122.820 0.009 0.000 2.594 554 A HA 0.483 4.803 4.320 0.000 0.000 0.291 554 A C 1.006 178.592 177.584 0.003 0.000 1.374 554 A CA 0.493 52.531 52.037 0.002 0.000 1.025 554 A CB -1.346 17.651 19.000 -0.004 0.000 1.072 554 A HN 0.779 nan 8.150 nan 0.000 0.555 555 G N -0.168 108.635 108.800 0.004 0.000 3.039 555 G HA2 0.515 4.475 3.960 0.000 0.000 0.686 555 G HA3 0.515 4.475 3.960 0.000 0.000 0.686 555 G C 0.161 175.066 174.900 0.008 0.000 1.066 555 G CA -0.236 44.866 45.100 0.004 0.000 0.774 555 G HN 2.745 nan 8.290 nan 0.000 0.591 556 I N -1.496 119.079 120.570 0.008 0.000 7.686 556 I HA 0.454 4.624 4.170 0.000 0.000 0.126 556 I C 1.592 177.717 176.117 0.013 0.000 1.840 556 I CA 2.931 64.237 61.300 0.010 0.000 2.048 556 I CB -2.524 35.483 38.000 0.011 0.000 3.688 556 I HN 3.413 nan 8.210 nan 0.000 0.172 557 R N 0.000 120.506 120.500 0.010 0.000 2.786 557 R HA 0.000 4.340 4.340 0.000 0.000 0.208 557 R CA 0.000 56.106 56.100 0.011 0.000 0.921 557 R CB 0.000 30.310 30.300 0.017 0.000 0.687 557 R HN 0.000 nan 8.270 nan 0.000 0.535