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 1eet_1_A DATA FIRST_RESID 1 DATA SEQUENCE PISPIETVPV KLKPGMDGPK VKQWPLTEEK IKALVEICTE MEKEGKISKI DATA SEQUENCE GXXXPYNTPV FAIKXXXXXX WRKLVDFREL NKRTQDFWEV QLGIPHPAGL DATA SEQUENCE KKKKSVTVLD VGDAYFSVPL DEDFRKYTAF TIPSXXXXXX GIRYQYNVLP DATA SEQUENCE QGWKGSPAIF QSSMTKILEP FKKQNPDIVI 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 KGRQKVVPLT NTTNQKTQLQ AIYLALQDSG LEVNIVTDSQ DATA SEQUENCE YALGIIQAQP DKSESELVNQ 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 0.000 177.361 177.300 0.101 0.000 1.155 1 P CA 0.000 63.145 63.100 0.076 0.000 0.800 1 P CB 0.000 31.740 31.700 0.067 0.000 0.726 2 I N 0.178 120.806 120.570 0.096 0.000 2.531 2 I HA 0.262 4.432 4.170 -0.000 0.000 0.283 2 I C -0.005 176.184 176.117 0.120 0.000 1.083 2 I CA -0.577 60.793 61.300 0.116 0.000 1.071 2 I CB 1.886 39.943 38.000 0.096 0.000 1.210 2 I HN 0.391 nan 8.210 nan 0.000 0.450 3 S N 7.746 123.540 115.700 0.156 0.000 2.642 3 S HA 0.039 4.509 4.470 -0.000 0.000 0.308 3 S C -1.277 173.437 174.600 0.190 0.000 1.255 3 S CA -0.446 57.873 58.200 0.199 0.000 1.057 3 S CB 0.507 63.841 63.200 0.224 0.000 0.785 3 S HN 0.499 nan 8.310 nan 0.000 0.500 4 P HA 0.143 nan 4.420 nan 0.000 0.256 4 P C 0.358 177.819 177.300 0.269 0.000 1.335 4 P CA -0.015 63.170 63.100 0.143 0.000 0.808 4 P CB -0.228 31.467 31.700 -0.009 0.000 1.305 5 I N 0.501 121.279 120.570 0.347 0.000 2.575 5 I HA 0.081 4.251 4.170 -0.000 0.000 0.285 5 I C 0.807 177.018 176.117 0.156 0.000 1.085 5 I CA -0.512 60.963 61.300 0.293 0.000 1.403 5 I CB 0.729 38.804 38.000 0.125 0.000 1.409 5 I HN -0.147 nan 8.210 nan 0.000 0.557 6 E N 4.241 124.517 120.200 0.127 0.000 2.485 6 E HA -0.052 4.298 4.350 -0.000 0.000 0.266 6 E C -0.516 176.125 176.600 0.069 0.000 1.090 6 E CA 0.430 56.882 56.400 0.088 0.000 0.987 6 E CB 0.518 30.259 29.700 0.068 0.000 0.974 6 E HN 0.629 nan 8.360 nan 0.000 0.455 7 T N -0.636 113.960 114.554 0.070 0.000 2.929 7 T HA 0.502 4.852 4.350 -0.000 0.000 0.284 7 T C -0.354 174.385 174.700 0.064 0.000 1.014 7 T CA -1.085 61.056 62.100 0.069 0.000 1.051 7 T CB 1.309 70.227 68.868 0.082 0.000 1.028 7 T HN 0.182 nan 8.240 nan 0.000 0.485 8 V N 4.591 124.544 119.914 0.064 0.000 2.432 8 V HA 0.324 4.444 4.120 -0.000 0.000 0.271 8 V C -1.740 174.417 176.094 0.105 0.000 1.046 8 V CA -1.717 60.628 62.300 0.074 0.000 0.945 8 V CB 0.588 32.450 31.823 0.064 0.000 0.992 8 V HN 0.836 nan 8.190 nan 0.000 0.471 9 P HA 0.161 nan 4.420 nan 0.000 0.267 9 P C -0.730 176.648 177.300 0.130 0.000 1.205 9 P CA 0.374 63.542 63.100 0.114 0.000 0.765 9 P CB 1.646 33.400 31.700 0.090 0.000 0.828 10 V N 3.863 123.866 119.914 0.147 0.000 2.925 10 V HA 0.682 4.802 4.120 -0.000 0.000 0.311 10 V C -0.682 175.530 176.094 0.197 0.000 1.104 10 V CA -0.746 61.625 62.300 0.118 0.000 0.954 10 V CB 2.426 34.305 31.823 0.093 0.000 1.022 10 V HN 0.787 nan 8.190 nan 0.000 0.427 11 K N 5.098 125.588 120.400 0.151 0.000 2.439 11 K HA 0.715 5.035 4.320 -0.000 0.000 0.260 11 K C -1.468 175.243 176.600 0.185 0.000 1.032 11 K CA -1.056 55.367 56.287 0.228 0.000 0.882 11 K CB 2.100 34.670 32.500 0.116 0.000 1.420 11 K HN 0.613 nan 8.250 nan 0.000 0.455 12 L N 1.123 122.400 121.223 0.091 0.000 2.431 12 L HA 0.386 4.726 4.340 -0.000 0.000 0.260 12 L C 0.286 177.149 176.870 -0.012 0.000 1.098 12 L CA -1.098 53.747 54.840 0.008 0.000 0.800 12 L CB 0.854 42.800 42.059 -0.188 0.000 1.210 12 L HN 0.610 nan 8.230 nan 0.000 0.465 13 K N 1.166 121.555 120.400 -0.018 0.000 2.380 13 K HA 0.037 4.357 4.320 -0.000 0.000 0.267 13 K C -1.618 174.974 176.600 -0.013 0.000 0.990 13 K CA -1.033 55.241 56.287 -0.022 0.000 0.946 13 K CB 0.156 32.647 32.500 -0.014 0.000 0.937 13 K HN 0.284 nan 8.250 nan 0.000 0.491 14 P HA -0.278 nan 4.420 nan 0.000 0.227 14 P C 0.595 177.900 177.300 0.008 0.000 0.791 14 P CA 1.689 64.789 63.100 -0.000 0.000 1.075 14 P CB -0.021 31.679 31.700 -0.001 0.000 0.728 15 G N -1.683 107.123 108.800 0.010 0.000 3.782 15 G HA2 0.421 4.381 3.960 -0.000 0.000 0.288 15 G HA3 0.421 4.381 3.960 -0.000 0.000 0.288 15 G C 0.018 174.931 174.900 0.021 0.000 1.300 15 G CA -0.051 45.060 45.100 0.018 0.000 1.261 15 G HN 0.124 nan 8.290 nan 0.000 0.591 16 M N -0.386 119.222 119.600 0.013 0.000 2.761 16 M HA 0.493 4.973 4.480 -0.000 0.000 0.305 16 M C -1.219 175.086 176.300 0.007 0.000 1.235 16 M CA -0.886 54.422 55.300 0.014 0.000 0.850 16 M CB 2.507 35.109 32.600 0.003 0.000 1.744 16 M HN 0.068 nan 8.290 nan 0.000 0.480 17 D N -0.423 119.992 120.400 0.025 0.000 2.477 17 D HA 0.575 5.215 4.640 -0.000 0.000 0.234 17 D C -0.244 176.057 176.300 0.002 0.000 1.048 17 D CA -0.131 53.904 54.000 0.058 0.000 0.959 17 D CB 1.711 42.613 40.800 0.171 0.000 1.408 17 D HN 0.690 nan 8.370 nan 0.000 0.496 18 G N 0.770 109.536 108.800 -0.057 0.000 2.760 18 G HA2 0.245 4.205 3.960 -0.000 0.000 0.236 18 G HA3 0.245 4.205 3.960 -0.000 0.000 0.236 18 G C -2.120 172.844 174.900 0.107 0.000 1.243 18 G CA -0.666 44.276 45.100 -0.264 0.000 0.850 18 G HN 0.475 nan 8.290 nan 0.000 0.595 19 P HA 0.276 nan 4.420 nan 0.000 0.274 19 P C -0.787 176.680 177.300 0.279 0.000 1.231 19 P CA -0.247 62.963 63.100 0.185 0.000 0.790 19 P CB 1.264 33.061 31.700 0.161 0.000 0.951 20 K N 1.059 121.578 120.400 0.198 0.000 3.350 20 K HA 0.265 4.585 4.320 -0.000 0.000 0.181 20 K C -0.596 176.069 176.600 0.108 0.000 1.064 20 K CA -0.403 55.980 56.287 0.160 0.000 0.839 20 K CB 0.917 33.495 32.500 0.131 0.000 0.819 20 K HN 0.189 nan 8.250 nan 0.000 0.523 21 V N 1.486 121.463 119.914 0.105 0.000 2.686 21 V HA 0.099 4.219 4.120 -0.000 0.000 0.295 21 V C 0.503 176.639 176.094 0.070 0.000 1.055 21 V CA -0.393 61.957 62.300 0.083 0.000 1.050 21 V CB 0.911 32.777 31.823 0.071 0.000 0.984 21 V HN 0.236 nan 8.190 nan 0.000 0.482 22 K N 2.932 123.379 120.400 0.077 0.000 2.350 22 K HA 0.183 4.503 4.320 -0.000 0.000 0.279 22 K C -0.034 176.616 176.600 0.083 0.000 1.027 22 K CA -0.053 56.280 56.287 0.075 0.000 0.969 22 K CB 0.522 33.079 32.500 0.096 0.000 0.954 22 K HN 0.666 nan 8.250 nan 0.000 0.474 23 Q N 4.984 124.814 119.800 0.051 0.000 2.369 23 Q HA 0.052 4.392 4.340 -0.000 0.000 0.247 23 Q C -1.217 174.837 176.000 0.089 0.000 1.083 23 Q CA -0.162 55.665 55.803 0.041 0.000 0.905 23 Q CB 0.188 28.930 28.738 0.008 0.000 1.305 23 Q HN 0.575 nan 8.270 nan 0.000 0.465 24 W N 6.808 128.098 121.300 -0.017 0.000 2.223 24 W HA 0.220 4.880 4.660 -0.000 0.000 0.334 24 W C -2.358 174.188 176.519 0.045 0.000 1.334 24 W CA -1.921 55.448 57.345 0.040 0.000 1.246 24 W CB 0.567 30.094 29.460 0.112 0.000 1.184 24 W HN 0.544 nan 8.180 nan 0.000 0.563 25 P HA -0.057 nan 4.420 nan 0.000 0.264 25 P C -0.437 176.893 177.300 0.049 0.000 1.183 25 P CA 0.323 63.272 63.100 -0.250 0.000 0.763 25 P CB 0.424 31.858 31.700 -0.444 0.000 0.807 26 L N 2.026 123.294 121.223 0.075 0.000 2.286 26 L HA 0.513 4.853 4.340 -0.000 0.000 0.265 26 L C 1.088 178.003 176.870 0.074 0.000 1.012 26 L CA -0.519 54.402 54.840 0.135 0.000 0.818 26 L CB 0.893 43.021 42.059 0.114 0.000 1.337 26 L HN 0.341 nan 8.230 nan 0.000 0.438 27 T N -3.126 111.479 114.554 0.085 0.000 2.816 27 T HA 0.271 4.621 4.350 -0.000 0.000 0.282 27 T C 1.002 175.721 174.700 0.032 0.000 0.993 27 T CA -0.562 61.576 62.100 0.063 0.000 0.994 27 T CB 1.051 69.972 68.868 0.089 0.000 1.025 27 T HN 0.540 nan 8.240 nan 0.000 0.529 28 E N 0.491 120.710 120.200 0.031 0.000 2.110 28 E HA -0.180 4.170 4.350 -0.000 0.000 0.193 28 E C 2.048 178.656 176.600 0.013 0.000 0.988 28 E CA 1.457 57.867 56.400 0.018 0.000 0.804 28 E CB -0.124 29.591 29.700 0.026 0.000 0.745 28 E HN 0.738 nan 8.360 nan 0.000 0.458 29 E N 1.202 121.434 120.200 0.053 0.000 2.049 29 E HA -0.204 4.146 4.350 -0.000 0.000 0.198 29 E C 1.903 178.452 176.600 -0.087 0.000 1.007 29 E CA 1.390 57.848 56.400 0.096 0.000 0.809 29 E CB -0.073 29.771 29.700 0.240 0.000 0.749 29 E HN 0.155 nan 8.360 nan 0.000 0.450 30 K N 0.220 120.536 120.400 -0.140 0.000 2.057 30 K HA -0.024 4.296 4.320 -0.000 0.000 0.206 30 K C 2.240 178.674 176.600 -0.277 0.000 1.050 30 K CA 1.106 57.178 56.287 -0.357 0.000 0.935 30 K CB -0.182 32.231 32.500 -0.144 0.000 0.715 30 K HN 0.109 nan 8.250 nan 0.000 0.439 31 I N 1.584 122.078 120.570 -0.127 0.000 2.286 31 I HA -0.288 3.882 4.170 -0.000 0.000 0.248 31 I C 2.596 178.655 176.117 -0.097 0.000 1.115 31 I CA 1.216 62.467 61.300 -0.083 0.000 1.392 31 I CB -0.190 37.788 38.000 -0.037 0.000 1.065 31 I HN 0.173 nan 8.210 nan 0.000 0.418 32 K N 1.410 121.745 120.400 -0.108 0.000 2.062 32 K HA -0.135 4.185 4.320 -0.000 0.000 0.205 32 K C 2.257 178.775 176.600 -0.136 0.000 1.051 32 K CA 1.285 57.522 56.287 -0.082 0.000 0.941 32 K CB -0.070 32.409 32.500 -0.035 0.000 0.719 32 K HN 0.253 nan 8.250 nan 0.000 0.440 33 A N 1.679 124.314 122.820 -0.308 0.000 1.883 33 A HA -0.146 4.174 4.320 -0.000 0.000 0.217 33 A C 2.147 179.580 177.584 -0.251 0.000 1.186 33 A CA 1.404 53.178 52.037 -0.438 0.000 0.624 33 A CB -0.726 17.529 19.000 -1.242 0.000 0.822 33 A HN 0.325 nan 8.150 nan 0.000 0.444 34 L N -0.537 120.550 121.223 -0.228 0.000 2.042 34 L HA -0.186 4.154 4.340 -0.000 0.000 0.210 34 L C 2.555 179.397 176.870 -0.046 0.000 1.076 34 L CA 1.259 56.036 54.840 -0.105 0.000 0.749 34 L CB -0.644 41.380 42.059 -0.059 0.000 0.893 34 L HN 0.262 nan 8.230 nan 0.000 0.432 35 V N -0.421 119.471 119.914 -0.036 0.000 2.343 35 V HA -0.229 3.891 4.120 -0.000 0.000 0.247 35 V C 2.558 178.650 176.094 -0.003 0.000 1.051 35 V CA 1.601 63.904 62.300 0.005 0.000 1.036 35 V CB -0.487 31.340 31.823 0.007 0.000 0.654 35 V HN 0.436 nan 8.190 nan 0.000 0.451 36 E N 0.095 120.284 120.200 -0.018 0.000 2.051 36 E HA -0.172 4.178 4.350 -0.000 0.000 0.192 36 E C 2.189 178.787 176.600 -0.004 0.000 0.991 36 E CA 1.444 57.844 56.400 -0.000 0.000 0.799 36 E CB -0.364 29.344 29.700 0.013 0.000 0.748 36 E HN 0.560 nan 8.360 nan 0.000 0.449 37 I N 0.747 121.308 120.570 -0.016 0.000 2.099 37 I HA -0.317 3.853 4.170 -0.000 0.000 0.239 37 I C 2.603 178.687 176.117 -0.056 0.000 1.066 37 I CA 1.066 62.359 61.300 -0.012 0.000 1.324 37 I CB -0.411 37.585 38.000 -0.007 0.000 1.037 37 I HN 0.109 nan 8.210 nan 0.000 0.401 38 C N 0.313 119.552 119.300 -0.102 0.000 2.422 38 C HA -0.147 4.313 4.460 -0.000 0.000 0.279 38 C C 3.009 177.870 174.990 -0.214 0.000 1.305 38 C CA 1.418 60.281 59.018 -0.258 0.000 1.757 38 C CB -1.219 26.279 27.740 -0.403 0.000 1.962 38 C HN 0.542 nan 8.230 nan 0.000 0.499 39 T N 0.493 115.007 114.554 -0.067 0.000 2.708 39 T HA -0.182 4.168 4.350 -0.000 0.000 0.266 39 T C 1.748 176.435 174.700 -0.022 0.000 1.037 39 T CA 1.829 63.926 62.100 -0.005 0.000 1.146 39 T CB -0.337 68.545 68.868 0.023 0.000 0.865 39 T HN 0.544 nan 8.240 nan 0.000 0.435 40 E N 1.208 121.395 120.200 -0.021 0.000 2.097 40 E HA -0.107 4.243 4.350 -0.000 0.000 0.196 40 E C 2.067 178.651 176.600 -0.027 0.000 1.000 40 E CA 1.494 57.889 56.400 -0.008 0.000 0.804 40 E CB -0.399 29.306 29.700 0.009 0.000 0.740 40 E HN 0.472 nan 8.360 nan 0.000 0.454 41 M N -0.191 119.366 119.600 -0.071 0.000 2.200 41 M HA -0.088 4.392 4.480 -0.000 0.000 0.265 41 M C 2.284 178.511 176.300 -0.121 0.000 1.066 41 M CA 1.276 56.507 55.300 -0.114 0.000 1.127 41 M CB -0.121 32.358 32.600 -0.202 0.000 1.379 41 M HN 0.155 nan 8.290 nan 0.000 0.420 42 E N 0.637 120.769 120.200 -0.113 0.000 2.110 42 E HA -0.209 4.141 4.350 -0.000 0.000 0.193 42 E C 1.702 178.295 176.600 -0.012 0.000 0.988 42 E CA 1.153 57.526 56.400 -0.044 0.000 0.804 42 E CB 0.134 29.866 29.700 0.055 0.000 0.745 42 E HN 0.464 nan 8.360 nan 0.000 0.458 43 K N 0.147 120.542 120.400 -0.009 0.000 2.211 43 K HA -0.130 4.190 4.320 -0.000 0.000 0.203 43 K C 1.655 178.256 176.600 0.001 0.000 1.050 43 K CA 1.108 57.396 56.287 0.002 0.000 0.945 43 K CB 0.015 32.518 32.500 0.006 0.000 0.732 43 K HN 0.203 nan 8.250 nan 0.000 0.451 44 E N -0.614 119.582 120.200 -0.007 0.000 2.479 44 E HA 0.047 4.397 4.350 -0.000 0.000 0.193 44 E C 0.866 177.465 176.600 -0.001 0.000 1.049 44 E CA 0.314 56.716 56.400 0.003 0.000 0.870 44 E CB 0.561 30.269 29.700 0.013 0.000 0.944 44 E HN 0.448 nan 8.360 nan 0.000 0.492 45 G N 1.968 110.758 108.800 -0.017 0.000 2.176 45 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.253 45 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.253 45 G C 1.103 175.979 174.900 -0.039 0.000 0.979 45 G CA 0.483 45.574 45.100 -0.015 0.000 0.641 45 G HN 0.067 nan 8.290 nan 0.000 0.530 46 K N 0.234 120.579 120.400 -0.091 0.000 2.103 46 K HA 0.059 4.379 4.320 -0.000 0.000 0.207 46 K C 1.644 178.119 176.600 -0.209 0.000 1.048 46 K CA 1.840 58.023 56.287 -0.173 0.000 0.930 46 K CB -0.315 31.973 32.500 -0.353 0.000 0.716 46 K HN 0.963 nan 8.250 nan 0.000 0.444 47 I N -3.683 116.756 120.570 -0.217 0.000 3.074 47 I HA 0.442 4.612 4.170 -0.000 0.000 0.310 47 I C -0.899 175.202 176.117 -0.026 0.000 1.153 47 I CA -0.955 60.220 61.300 -0.210 0.000 0.993 47 I CB 2.615 40.373 38.000 -0.404 0.000 1.237 47 I HN -0.333 nan 8.210 nan 0.000 0.443 48 S N 1.608 117.348 115.700 0.067 0.000 2.541 48 S HA 0.430 4.900 4.470 -0.000 0.000 0.280 48 S C -0.863 173.773 174.600 0.060 0.000 1.112 48 S CA -0.902 57.349 58.200 0.086 0.000 0.925 48 S CB 2.019 65.227 63.200 0.013 0.000 1.067 48 S HN 0.502 nan 8.310 nan 0.000 0.479 49 K N 2.434 122.782 120.400 -0.088 0.000 2.401 49 K HA 0.351 4.671 4.320 -0.000 0.000 0.278 49 K C -0.034 176.422 176.600 -0.240 0.000 1.018 49 K CA 0.129 56.193 56.287 -0.373 0.000 0.981 49 K CB 0.175 32.448 32.500 -0.379 0.000 0.933 49 K HN 0.608 nan 8.250 nan 0.000 0.477 50 I N -1.674 118.731 120.570 -0.275 0.000 3.002 50 I HA 0.644 4.814 4.170 -0.000 0.000 0.310 50 I C 0.105 176.111 176.117 -0.185 0.000 1.087 50 I CA -1.027 60.164 61.300 -0.182 0.000 1.017 50 I CB 2.099 40.012 38.000 -0.144 0.000 1.226 50 I HN 0.533 nan 8.210 nan 0.000 0.443 56 Y N 1.364 121.655 120.300 -0.016 0.000 2.429 56 Y HA 0.676 5.226 4.550 -0.000 0.000 0.342 56 Y C 0.270 176.192 175.900 0.036 0.000 1.004 56 Y CA -0.874 57.241 58.100 0.025 0.000 1.075 56 Y CB 1.819 40.303 38.460 0.040 0.000 1.214 56 Y HN -0.092 nan 8.280 nan 0.000 0.455 57 N N -0.112 118.725 118.700 0.228 0.000 2.264 57 N HA 0.649 5.389 4.740 -0.000 0.000 0.288 57 N C -1.863 173.730 175.510 0.139 0.000 1.094 57 N CA -0.448 52.694 53.050 0.154 0.000 0.817 57 N CB 1.806 40.346 38.487 0.088 0.000 1.604 57 N HN 0.543 nan 8.380 nan 0.000 0.473 58 T N 2.911 117.534 114.554 0.116 0.000 2.879 58 T HA 0.484 4.834 4.350 -0.000 0.000 0.290 58 T C -2.841 171.821 174.700 -0.063 0.000 0.993 58 T CA -0.993 61.118 62.100 0.019 0.000 0.975 58 T CB 1.972 70.819 68.868 -0.035 0.000 0.981 58 T HN 0.378 nan 8.240 nan 0.000 0.439 59 P HA 0.199 nan 4.420 nan 0.000 0.268 59 P C -0.508 176.522 177.300 -0.450 0.000 1.204 59 P CA -0.286 62.643 63.100 -0.286 0.000 0.768 59 P CB 0.575 32.074 31.700 -0.335 0.000 0.842 60 V N 1.370 121.030 119.914 -0.423 0.000 2.495 60 V HA 0.598 4.718 4.120 -0.000 0.000 0.298 60 V C -0.431 175.422 176.094 -0.401 0.000 1.031 60 V CA -0.703 61.380 62.300 -0.362 0.000 0.871 60 V CB 0.881 32.625 31.823 -0.131 0.000 0.988 60 V HN 0.216 nan 8.190 nan 0.000 0.432 61 F N 2.270 122.206 119.950 -0.024 0.000 2.629 61 F HA 0.993 5.520 4.527 -0.000 0.000 0.386 61 F C 0.591 176.382 175.800 -0.014 0.000 1.135 61 F CA -0.505 57.496 58.000 0.002 0.000 1.116 61 F CB 1.715 40.723 39.000 0.014 0.000 1.426 61 F HN 0.943 nan 8.300 nan 0.000 0.501 62 A N 1.061 124.037 122.820 0.261 0.000 2.512 62 A HA 0.689 5.009 4.320 -0.000 0.000 0.294 62 A C -1.722 176.039 177.584 0.295 0.000 1.054 62 A CA -0.348 51.764 52.037 0.126 0.000 0.756 62 A CB 1.125 20.017 19.000 -0.181 0.000 1.293 62 A HN 0.742 nan 8.150 nan 0.000 0.395 63 I N 0.930 121.757 120.570 0.428 0.000 3.006 63 I HA 0.500 4.670 4.170 -0.000 0.000 0.306 63 I C -0.735 175.606 176.117 0.373 0.000 1.250 63 I CA -0.823 60.747 61.300 0.450 0.000 0.996 63 I CB 2.145 40.257 38.000 0.188 0.000 1.261 63 I HN 0.766 nan 8.210 nan 0.000 0.442 72 R N 2.311 123.036 120.500 0.374 0.000 2.807 72 R HA 0.448 4.788 4.340 -0.000 0.000 0.276 72 R C -0.687 175.714 176.300 0.168 0.000 0.979 72 R CA -1.268 54.958 56.100 0.209 0.000 0.928 72 R CB 2.906 33.294 30.300 0.148 0.000 1.191 72 R HN 0.235 nan 8.270 nan 0.000 0.471 73 K N 2.738 123.207 120.400 0.115 0.000 2.262 73 K HA 0.215 4.535 4.320 -0.000 0.000 0.282 73 K C -1.010 175.639 176.600 0.082 0.000 1.066 73 K CA -0.476 55.855 56.287 0.073 0.000 0.901 73 K CB 0.605 33.124 32.500 0.031 0.000 1.089 73 K HN 0.241 nan 8.250 nan 0.000 0.476 74 L N 5.945 127.226 121.223 0.097 0.000 2.272 74 L HA 0.232 4.572 4.340 -0.000 0.000 0.284 74 L C -0.942 175.953 176.870 0.042 0.000 1.045 74 L CA -0.455 54.452 54.840 0.111 0.000 0.842 74 L CB 1.493 43.658 42.059 0.177 0.000 1.224 74 L HN 0.336 nan 8.230 nan 0.000 0.430 75 V N 2.690 122.568 119.914 -0.061 0.000 2.432 75 V HA 0.152 4.272 4.120 -0.000 0.000 0.271 75 V C 0.048 175.984 176.094 -0.264 0.000 1.046 75 V CA -0.670 61.441 62.300 -0.315 0.000 0.945 75 V CB 1.376 32.838 31.823 -0.603 0.000 0.992 75 V HN 0.618 nan 8.190 nan 0.000 0.471 76 D N 3.919 124.170 120.400 -0.248 0.000 2.422 76 D HA 0.210 4.850 4.640 -0.000 0.000 0.227 76 D C 0.206 176.436 176.300 -0.117 0.000 1.190 76 D CA -0.063 53.902 54.000 -0.059 0.000 0.905 76 D CB 0.140 40.979 40.800 0.064 0.000 1.034 76 D HN 0.444 nan 8.370 nan 0.000 0.507 77 F N 2.306 122.315 119.950 0.098 0.000 2.663 77 F HA 0.234 4.761 4.527 -0.000 0.000 0.299 77 F C 2.052 177.931 175.800 0.132 0.000 1.143 77 F CA -0.479 57.596 58.000 0.124 0.000 1.387 77 F CB 0.226 39.329 39.000 0.171 0.000 1.019 77 F HN 0.272 nan 8.300 nan 0.000 0.523 78 R N 0.164 120.811 120.500 0.245 0.000 2.091 78 R HA -0.170 4.170 4.340 -0.000 0.000 0.238 78 R C 1.924 178.332 176.300 0.179 0.000 1.136 78 R CA 1.321 57.532 56.100 0.185 0.000 0.959 78 R CB -0.219 30.159 30.300 0.130 0.000 0.856 78 R HN 0.236 nan 8.270 nan 0.000 0.437 79 E N 0.912 121.216 120.200 0.175 0.000 2.017 79 E HA -0.169 4.181 4.350 -0.000 0.000 0.193 79 E C 1.975 178.687 176.600 0.186 0.000 0.997 79 E CA 0.894 57.388 56.400 0.156 0.000 0.804 79 E CB -0.419 29.363 29.700 0.137 0.000 0.757 79 E HN 0.104 nan 8.360 nan 0.000 0.448 80 L N 1.921 123.303 121.223 0.266 0.000 2.042 80 L HA -0.182 4.158 4.340 -0.000 0.000 0.210 80 L C 1.639 178.699 176.870 0.317 0.000 1.076 80 L CA 1.708 56.726 54.840 0.297 0.000 0.749 80 L CB -0.738 41.581 42.059 0.432 0.000 0.893 80 L HN 0.038 nan 8.230 nan 0.000 0.432 81 N N 0.131 119.024 118.700 0.322 0.000 2.149 81 N HA -0.205 4.535 4.740 -0.000 0.000 0.188 81 N C 1.745 177.340 175.510 0.141 0.000 1.019 81 N CA 1.584 54.770 53.050 0.227 0.000 0.857 81 N CB -0.219 38.372 38.487 0.173 0.000 0.997 81 N HN 0.468 nan 8.380 nan 0.000 0.426 82 K N 0.366 120.843 120.400 0.128 0.000 2.211 82 K HA 0.035 4.355 4.320 -0.000 0.000 0.203 82 K C 1.664 178.307 176.600 0.072 0.000 1.050 82 K CA 0.813 57.150 56.287 0.083 0.000 0.945 82 K CB 0.056 32.603 32.500 0.077 0.000 0.732 82 K HN 0.141 nan 8.250 nan 0.000 0.451 83 R N 0.239 120.794 120.500 0.092 0.000 2.317 83 R HA 0.089 4.429 4.340 -0.000 0.000 0.208 83 R C 0.057 176.401 176.300 0.073 0.000 0.914 83 R CA 0.219 56.352 56.100 0.055 0.000 1.060 83 R CB 0.516 30.830 30.300 0.025 0.000 1.015 83 R HN -0.036 nan 8.270 nan 0.000 0.498 84 T N 2.101 116.744 114.554 0.148 0.000 2.845 84 T HA 0.078 4.428 4.350 -0.000 0.000 0.288 84 T C 0.119 174.834 174.700 0.026 0.000 0.980 84 T CA -0.592 61.630 62.100 0.203 0.000 1.071 84 T CB 1.399 70.493 68.868 0.377 0.000 0.941 84 T HN 0.239 nan 8.240 nan 0.000 0.487 85 Q N 2.617 122.377 119.800 -0.067 0.000 2.726 85 Q HA 0.079 4.419 4.340 -0.000 0.000 0.242 85 Q C -0.751 175.031 176.000 -0.364 0.000 1.130 85 Q CA -0.141 55.527 55.803 -0.226 0.000 1.031 85 Q CB 0.425 28.963 28.738 -0.333 0.000 1.326 85 Q HN 0.417 nan 8.270 nan 0.000 0.572 86 D N -0.017 120.179 120.400 -0.341 0.000 2.253 86 D HA 0.381 5.021 4.640 -0.000 0.000 0.249 86 D C -0.925 175.084 176.300 -0.486 0.000 1.049 86 D CA -0.067 53.771 54.000 -0.271 0.000 0.929 86 D CB 0.642 41.381 40.800 -0.102 0.000 1.176 86 D HN 0.336 nan 8.370 nan 0.000 0.437 87 F N -0.073 119.844 119.950 -0.054 0.000 2.598 87 F HA 0.316 4.843 4.527 -0.000 0.000 0.327 87 F C 0.252 176.109 175.800 0.094 0.000 1.057 87 F CA -1.113 56.876 58.000 -0.020 0.000 0.957 87 F CB 1.314 40.238 39.000 -0.126 0.000 1.278 87 F HN 0.224 nan 8.300 nan 0.000 0.484 88 W N 2.303 123.675 121.300 0.121 0.000 2.238 88 W HA 0.222 4.882 4.660 -0.000 0.000 0.321 88 W C 0.145 176.691 176.519 0.044 0.000 1.293 88 W CA -0.578 56.797 57.345 0.050 0.000 1.204 88 W CB 0.971 30.450 29.460 0.033 0.000 1.167 88 W HN 0.482 nan 8.180 nan 0.000 0.553 89 E N 2.263 122.023 120.200 -0.735 0.000 2.534 89 E HA -0.113 4.237 4.350 -0.000 0.000 0.264 89 E C 0.744 177.121 176.600 -0.370 0.000 0.981 89 E CA 0.351 56.409 56.400 -0.569 0.000 0.948 89 E CB 1.129 30.391 29.700 -0.731 0.000 0.934 89 E HN 0.335 nan 8.360 nan 0.000 0.459 90 V N 3.300 123.096 119.914 -0.198 0.000 2.490 90 V HA -0.152 3.968 4.120 -0.000 0.000 0.250 90 V C 0.751 176.809 176.094 -0.059 0.000 1.061 90 V CA 1.660 63.900 62.300 -0.100 0.000 1.064 90 V CB -0.647 31.134 31.823 -0.069 0.000 0.670 90 V HN 0.616 nan 8.190 nan 0.000 0.461 91 Q N -1.609 118.140 119.800 -0.084 0.000 2.353 91 Q HA 0.311 4.651 4.340 -0.000 0.000 0.275 91 Q C -0.074 175.889 176.000 -0.062 0.000 1.029 91 Q CA -0.605 55.186 55.803 -0.019 0.000 0.848 91 Q CB 2.329 31.110 28.738 0.072 0.000 1.390 91 Q HN 0.097 nan 8.270 nan 0.000 0.401 92 L N 0.941 122.151 121.223 -0.021 0.000 2.313 92 L HA 0.311 4.651 4.340 -0.000 0.000 0.214 92 L C 0.372 177.240 176.870 -0.003 0.000 1.119 92 L CA 1.961 56.787 54.840 -0.023 0.000 0.809 92 L CB 0.243 42.322 42.059 0.035 0.000 0.933 92 L HN 0.686 nan 8.230 nan 0.000 0.449 93 G N -1.494 107.320 108.800 0.024 0.000 2.554 93 G HA2 0.427 4.387 3.960 -0.000 0.000 0.306 93 G HA3 0.427 4.387 3.960 -0.000 0.000 0.306 93 G C -1.730 173.207 174.900 0.062 0.000 1.320 93 G CA -0.598 44.519 45.100 0.028 0.000 0.800 93 G HN -0.127 nan 8.290 nan 0.000 0.481 94 I N 1.203 121.801 120.570 0.046 0.000 2.509 94 I HA 0.395 4.565 4.170 -0.000 0.000 0.293 94 I C -2.127 174.006 176.117 0.026 0.000 1.020 94 I CA -2.147 59.191 61.300 0.063 0.000 1.088 94 I CB 1.175 39.171 38.000 -0.006 0.000 1.267 94 I HN 0.205 nan 8.210 nan 0.000 0.430 95 P HA 0.096 nan 4.420 nan 0.000 0.266 95 P C -0.427 176.830 177.300 -0.072 0.000 1.195 95 P CA 0.218 63.268 63.100 -0.082 0.000 0.768 95 P CB 0.365 31.899 31.700 -0.276 0.000 0.838 96 H N 3.826 122.755 119.070 -0.236 0.000 2.473 96 H HA 0.189 4.745 4.556 -0.000 0.000 0.327 96 H C -1.755 173.274 175.328 -0.499 0.000 1.105 96 H CA -2.160 53.677 56.048 -0.351 0.000 1.280 96 H CB 1.424 30.948 29.762 -0.396 0.000 1.450 96 H HN 0.212 nan 8.280 nan 0.000 0.492 97 P HA -0.185 nan 4.420 nan 0.000 0.216 97 P C 1.135 178.067 177.300 -0.614 0.000 1.157 97 P CA 2.435 64.983 63.100 -0.919 0.000 0.880 97 P CB -0.020 30.522 31.700 -1.931 0.000 0.791 98 A N -0.614 121.904 122.820 -0.504 0.000 2.084 98 A HA -0.119 4.201 4.320 -0.000 0.000 0.221 98 A C 2.268 179.996 177.584 0.241 0.000 1.161 98 A CA 1.989 54.042 52.037 0.028 0.000 0.653 98 A CB -1.678 17.436 19.000 0.190 0.000 0.802 98 A HN 0.344 nan 8.150 nan 0.000 0.457 99 G N -1.260 107.514 108.800 -0.045 0.000 2.939 99 G HA2 0.358 4.318 3.960 -0.000 0.000 0.210 99 G HA3 0.358 4.318 3.960 -0.000 0.000 0.210 99 G C 0.514 175.482 174.900 0.113 0.000 1.160 99 G CA -0.313 44.725 45.100 -0.102 0.000 0.770 99 G HN 0.396 nan 8.290 nan 0.000 0.543 100 L N 0.413 121.716 121.223 0.133 0.000 2.436 100 L HA 0.372 4.712 4.340 -0.000 0.000 0.265 100 L C 0.222 177.205 176.870 0.187 0.000 1.168 100 L CA -0.616 54.273 54.840 0.081 0.000 0.815 100 L CB 1.051 43.072 42.059 -0.063 0.000 1.109 100 L HN -0.070 nan 8.230 nan 0.000 0.462 101 K N 1.662 122.075 120.400 0.021 0.000 2.098 101 K HA 0.215 4.535 4.320 -0.000 0.000 0.257 101 K C -0.168 176.326 176.600 -0.176 0.000 0.999 101 K CA -0.583 55.715 56.287 0.019 0.000 0.924 101 K CB 0.718 33.215 32.500 -0.005 0.000 1.028 101 K HN 0.288 nan 8.250 nan 0.000 0.466 102 K N 2.046 122.419 120.400 -0.045 0.000 2.436 102 K HA 0.033 4.353 4.320 -0.000 0.000 0.275 102 K C -0.754 175.765 176.600 -0.136 0.000 0.999 102 K CA 0.342 56.582 56.287 -0.079 0.000 0.980 102 K CB 0.494 33.042 32.500 0.079 0.000 0.919 102 K HN 0.250 nan 8.250 nan 0.000 0.484 103 K N 2.983 123.285 120.400 -0.164 0.000 2.427 103 K HA 0.204 4.524 4.320 -0.000 0.000 0.252 103 K C 0.236 176.788 176.600 -0.079 0.000 0.931 103 K CA -0.527 55.688 56.287 -0.121 0.000 0.793 103 K CB 1.804 34.215 32.500 -0.148 0.000 1.211 103 K HN 0.510 nan 8.250 nan 0.000 0.426 104 K N 0.131 120.481 120.400 -0.084 0.000 2.005 104 K HA 0.206 4.526 4.320 -0.000 0.000 0.206 104 K C -0.268 176.260 176.600 -0.121 0.000 1.044 104 K CA 0.887 57.127 56.287 -0.079 0.000 0.942 104 K CB 0.231 32.687 32.500 -0.073 0.000 0.727 104 K HN 0.464 nan 8.250 nan 0.000 0.439 105 S N 0.048 115.601 115.700 -0.245 0.000 2.502 105 S HA 0.444 4.914 4.470 -0.000 0.000 0.304 105 S C -1.607 172.767 174.600 -0.376 0.000 1.097 105 S CA -0.808 57.156 58.200 -0.393 0.000 1.045 105 S CB 2.229 64.955 63.200 -0.790 0.000 1.019 105 S HN 0.092 nan 8.310 nan 0.000 0.481 106 V N 3.333 123.218 119.914 -0.049 0.000 2.733 106 V HA 0.874 4.994 4.120 -0.000 0.000 0.306 106 V C -0.751 175.581 176.094 0.396 0.000 1.084 106 V CA -0.053 62.366 62.300 0.199 0.000 0.905 106 V CB 1.978 33.938 31.823 0.229 0.000 1.010 106 V HN 0.920 nan 8.190 nan 0.000 0.424 107 T N 4.466 119.287 114.554 0.445 0.000 2.909 107 T HA 0.643 4.993 4.350 -0.000 0.000 0.299 107 T C -1.565 173.242 174.700 0.178 0.000 1.073 107 T CA -0.214 62.117 62.100 0.386 0.000 0.999 107 T CB 1.676 70.691 68.868 0.245 0.000 1.098 107 T HN 1.390 nan 8.240 nan 0.000 0.477 108 V N 6.385 126.353 119.914 0.090 0.000 2.384 108 V HA 0.672 4.792 4.120 -0.000 0.000 0.287 108 V C -1.040 174.876 176.094 -0.297 0.000 1.020 108 V CA -0.807 61.298 62.300 -0.326 0.000 0.850 108 V CB 0.769 32.157 31.823 -0.725 0.000 0.987 108 V HN 0.909 nan 8.190 nan 0.000 0.436 109 L N 7.161 128.171 121.223 -0.353 0.000 2.296 109 L HA 0.601 4.941 4.340 -0.000 0.000 0.286 109 L C -0.665 176.067 176.870 -0.230 0.000 1.023 109 L CA -0.684 53.972 54.840 -0.307 0.000 0.812 109 L CB 1.790 43.666 42.059 -0.304 0.000 1.223 109 L HN 0.730 nan 8.230 nan 0.000 0.421 110 D N 3.632 123.941 120.400 -0.152 0.000 2.303 110 D HA 0.199 4.839 4.640 -0.000 0.000 0.236 110 D C -0.217 176.041 176.300 -0.070 0.000 1.068 110 D CA -0.532 53.396 54.000 -0.119 0.000 0.830 110 D CB 2.023 42.759 40.800 -0.106 0.000 1.109 110 D HN 0.063 nan 8.370 nan 0.000 0.496 111 V N 3.675 123.562 119.914 -0.045 0.000 2.475 111 V HA 0.118 4.238 4.120 -0.000 0.000 0.292 111 V C 2.120 178.196 176.094 -0.030 0.000 1.003 111 V CA 0.762 63.064 62.300 0.003 0.000 1.120 111 V CB 0.344 32.232 31.823 0.108 0.000 0.937 111 V HN 0.847 nan 8.190 nan 0.000 0.476 112 G N 3.880 112.677 108.800 -0.005 0.000 2.764 112 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.219 112 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.219 112 G C 0.667 175.540 174.900 -0.044 0.000 1.259 112 G CA 1.237 46.331 45.100 -0.011 0.000 0.793 112 G HN 0.758 nan 8.290 nan 0.000 0.633 113 D N 0.342 120.732 120.400 -0.017 0.000 2.861 113 D HA 0.506 5.146 4.640 -0.000 0.000 0.357 113 D C 1.589 177.852 176.300 -0.061 0.000 1.250 113 D CA 0.441 54.402 54.000 -0.064 0.000 0.802 113 D CB 0.824 41.653 40.800 0.048 0.000 1.141 113 D HN 0.267 nan 8.370 nan 0.000 0.489 114 A N 0.599 123.320 122.820 -0.165 0.000 2.030 114 A HA -0.340 3.980 4.320 -0.000 0.000 0.266 114 A C 1.723 179.313 177.584 0.010 0.000 2.529 114 A CA 1.805 53.676 52.037 -0.276 0.000 0.955 114 A CB -1.493 16.884 19.000 -1.038 0.000 0.765 114 A HN 0.614 nan 8.150 nan 0.000 0.502 115 Y N -1.645 118.428 120.300 -0.378 0.000 2.114 115 Y HA -0.250 4.300 4.550 -0.000 0.000 0.282 115 Y C 2.467 178.522 175.900 0.258 0.000 1.165 115 Y CA 1.177 59.228 58.100 -0.080 0.000 1.148 115 Y CB -0.474 37.874 38.460 -0.187 0.000 0.972 115 Y HN 0.423 nan 8.280 nan 0.000 0.504 116 F N -0.839 119.228 119.950 0.194 0.000 2.546 116 F HA -0.141 4.386 4.527 -0.000 0.000 0.298 116 F C 1.714 177.605 175.800 0.150 0.000 1.120 116 F CA 0.078 58.178 58.000 0.167 0.000 1.456 116 F CB -0.037 39.041 39.000 0.130 0.000 1.088 116 F HN -0.025 nan 8.300 nan 0.000 0.572 117 S N -0.210 115.698 115.700 0.346 0.000 2.597 117 S HA 0.160 4.630 4.470 -0.000 0.000 0.224 117 S C 0.167 174.915 174.600 0.247 0.000 0.955 117 S CA 0.008 58.362 58.200 0.258 0.000 0.933 117 S CB 0.299 63.636 63.200 0.229 0.000 0.788 117 S HN -0.105 nan 8.310 nan 0.000 0.488 118 V N 4.479 124.553 119.914 0.268 0.000 2.531 118 V HA 0.389 4.509 4.120 -0.000 0.000 0.301 118 V C -2.420 173.780 176.094 0.176 0.000 1.034 118 V CA -2.290 60.139 62.300 0.215 0.000 0.865 118 V CB 2.095 34.062 31.823 0.239 0.000 0.995 118 V HN 0.066 nan 8.190 nan 0.000 0.424 119 P HA 0.145 nan 4.420 nan 0.000 0.269 119 P C -0.881 176.484 177.300 0.109 0.000 1.209 119 P CA -0.251 62.921 63.100 0.119 0.000 0.776 119 P CB 1.372 33.135 31.700 0.105 0.000 0.876 120 L N 2.265 123.550 121.223 0.102 0.000 2.307 120 L HA 0.394 4.734 4.340 -0.000 0.000 0.284 120 L C -0.096 176.835 176.870 0.101 0.000 1.023 120 L CA -0.665 54.225 54.840 0.084 0.000 0.810 120 L CB 0.601 42.690 42.059 0.050 0.000 1.231 120 L HN 0.234 nan 8.230 nan 0.000 0.423 121 D N 3.135 123.603 120.400 0.112 0.000 2.819 121 D HA -0.168 4.472 4.640 -0.000 0.000 0.236 121 D C 1.221 177.613 176.300 0.152 0.000 1.181 121 D CA 1.055 55.137 54.000 0.137 0.000 0.855 121 D CB 0.584 41.484 40.800 0.166 0.000 1.146 121 D HN 0.785 nan 8.370 nan 0.000 0.540 122 E N 2.390 122.657 120.200 0.112 0.000 2.208 122 E HA -0.291 4.059 4.350 -0.000 0.000 0.202 122 E C 0.590 177.241 176.600 0.085 0.000 1.014 122 E CA 1.449 57.901 56.400 0.087 0.000 0.819 122 E CB 0.207 29.947 29.700 0.066 0.000 0.735 122 E HN 0.566 nan 8.360 nan 0.000 0.469 123 D N -1.343 119.130 120.400 0.120 0.000 2.355 123 D HA -0.037 4.603 4.640 -0.000 0.000 0.218 123 D C 0.868 177.261 176.300 0.155 0.000 1.004 123 D CA 0.268 54.335 54.000 0.111 0.000 0.880 123 D CB 0.035 40.914 40.800 0.133 0.000 0.911 123 D HN 0.216 nan 8.370 nan 0.000 0.528 124 F N 0.736 120.724 119.950 0.063 0.000 2.678 124 F HA 0.179 4.706 4.527 -0.000 0.000 0.291 124 F C 1.917 177.724 175.800 0.013 0.000 1.123 124 F CA 0.010 58.093 58.000 0.138 0.000 1.395 124 F CB 0.336 39.411 39.000 0.125 0.000 1.121 124 F HN -0.268 nan 8.300 nan 0.000 0.592 125 R N 1.214 121.758 120.500 0.073 0.000 2.119 125 R HA -0.255 4.085 4.340 -0.000 0.000 0.246 125 R C 2.251 178.490 176.300 -0.103 0.000 1.146 125 R CA 2.118 58.231 56.100 0.022 0.000 0.962 125 R CB -0.758 29.574 30.300 0.053 0.000 0.863 125 R HN 0.370 nan 8.270 nan 0.000 0.442 126 K N 0.263 120.509 120.400 -0.257 0.000 2.218 126 K HA -0.210 4.110 4.320 -0.000 0.000 0.205 126 K C 1.173 177.553 176.600 -0.367 0.000 1.046 126 K CA 1.774 57.883 56.287 -0.297 0.000 0.933 126 K CB -0.307 31.960 32.500 -0.389 0.000 0.728 126 K HN 0.253 nan 8.250 nan 0.000 0.454 127 Y N 1.997 122.052 120.300 -0.409 0.000 2.561 127 Y HA -0.013 4.537 4.550 -0.000 0.000 0.291 127 Y C 2.109 177.888 175.900 -0.201 0.000 1.141 127 Y CA 1.133 58.897 58.100 -0.559 0.000 1.303 127 Y CB -0.074 37.783 38.460 -1.004 0.000 1.015 127 Y HN 0.321 nan 8.280 nan 0.000 0.547 128 T N -2.357 112.235 114.554 0.062 0.000 3.206 128 T HA 0.513 4.863 4.350 -0.000 0.000 0.253 128 T C 0.748 175.725 174.700 0.462 0.000 1.042 128 T CA -0.100 62.193 62.100 0.321 0.000 0.931 128 T CB -0.604 68.449 68.868 0.309 0.000 1.029 128 T HN 0.175 nan 8.240 nan 0.000 0.564 129 A N 1.822 124.815 122.820 0.288 0.000 2.477 129 A HA 0.576 4.896 4.320 -0.000 0.000 0.246 129 A C -0.069 177.712 177.584 0.328 0.000 1.078 129 A CA -0.531 51.650 52.037 0.240 0.000 0.770 129 A CB -0.396 18.674 19.000 0.117 0.000 1.011 129 A HN 0.744 nan 8.150 nan 0.000 0.494 130 F N -0.052 119.948 119.950 0.085 0.000 2.692 130 F HA 0.876 5.403 4.527 -0.000 0.000 0.320 130 F C -0.121 175.701 175.800 0.036 0.000 1.123 130 F CA -0.458 57.564 58.000 0.037 0.000 0.961 130 F CB 1.366 40.371 39.000 0.010 0.000 1.383 130 F HN 0.665 nan 8.300 nan 0.000 0.483 131 T N -0.959 113.652 114.554 0.096 0.000 2.903 131 T HA 0.762 5.112 4.350 -0.000 0.000 0.299 131 T C -1.203 173.542 174.700 0.075 0.000 1.093 131 T CA -0.714 61.375 62.100 -0.018 0.000 1.002 131 T CB 1.664 70.509 68.868 -0.038 0.000 1.127 131 T HN 0.772 nan 8.240 nan 0.000 0.488 132 I N 3.772 124.365 120.570 0.037 0.000 2.354 132 I HA 0.369 4.539 4.170 -0.000 0.000 0.286 132 I C -1.843 174.275 176.117 0.002 0.000 1.007 132 I CA -2.453 58.877 61.300 0.051 0.000 1.167 132 I CB 1.869 39.914 38.000 0.077 0.000 1.320 132 I HN 0.548 nan 8.210 nan 0.000 0.458 133 P HA 0.200 nan 4.420 nan 0.000 0.288 133 P C -0.366 176.918 177.300 -0.027 0.000 1.291 133 P CA -0.209 62.877 63.100 -0.024 0.000 0.766 133 P CB 0.831 32.515 31.700 -0.026 0.000 1.242 142 I N 1.188 121.692 120.570 -0.111 0.000 2.395 142 I HA 0.407 4.577 4.170 -0.000 0.000 0.289 142 I C 0.598 176.560 176.117 -0.259 0.000 1.023 142 I CA -0.372 60.812 61.300 -0.194 0.000 1.350 142 I CB 1.203 39.112 38.000 -0.153 0.000 1.409 142 I HN 0.207 nan 8.210 nan 0.000 0.507 143 R N 5.525 125.790 120.500 -0.392 0.000 2.562 143 R HA 0.645 4.985 4.340 -0.000 0.000 0.298 143 R C -1.557 174.364 176.300 -0.631 0.000 0.961 143 R CA -0.742 55.109 56.100 -0.416 0.000 0.881 143 R CB 1.995 32.131 30.300 -0.274 0.000 1.159 143 R HN 0.422 nan 8.270 nan 0.000 0.450 144 Y N 0.290 120.182 120.300 -0.680 0.000 2.609 144 Y HA 0.295 4.845 4.550 -0.000 0.000 0.342 144 Y C -0.281 175.282 175.900 -0.562 0.000 1.058 144 Y CA -0.812 56.872 58.100 -0.693 0.000 1.055 144 Y CB 2.405 40.294 38.460 -0.950 0.000 1.292 144 Y HN 0.497 nan 8.280 nan 0.000 0.476 145 Q N -0.081 119.691 119.800 -0.047 0.000 2.456 145 Q HA 0.524 4.864 4.340 -0.000 0.000 0.284 145 Q C -2.183 173.877 176.000 0.100 0.000 1.061 145 Q CA -1.058 54.809 55.803 0.105 0.000 0.799 145 Q CB 2.146 30.915 28.738 0.052 0.000 1.445 145 Q HN 0.648 nan 8.270 nan 0.000 0.411 146 Y N 1.319 121.727 120.300 0.180 0.000 2.301 146 Y HA 0.266 4.816 4.550 -0.000 0.000 0.325 146 Y C 0.831 176.757 175.900 0.044 0.000 1.203 146 Y CA 0.157 58.318 58.100 0.102 0.000 1.255 146 Y CB 1.156 39.672 38.460 0.092 0.000 1.232 146 Y HN 0.737 nan 8.280 nan 0.000 0.501 147 N N 0.600 119.404 118.700 0.173 0.000 2.273 147 N HA 0.073 4.813 4.740 -0.000 0.000 0.192 147 N C -0.395 175.197 175.510 0.135 0.000 1.132 147 N CA 0.437 53.556 53.050 0.116 0.000 0.887 147 N CB 0.869 39.394 38.487 0.062 0.000 1.048 147 N HN 0.372 nan 8.380 nan 0.000 0.490 148 V N -1.459 118.566 119.914 0.186 0.000 3.166 148 V HA 0.540 4.660 4.120 -0.000 0.000 0.317 148 V C 0.269 176.480 176.094 0.195 0.000 1.136 148 V CA -1.157 61.258 62.300 0.192 0.000 1.035 148 V CB 1.237 33.184 31.823 0.206 0.000 1.110 148 V HN -0.123 nan 8.190 nan 0.000 0.450 149 L N 2.317 123.659 121.223 0.199 0.000 2.562 149 L HA 0.293 4.633 4.340 -0.000 0.000 0.271 149 L C -2.157 174.818 176.870 0.175 0.000 1.167 149 L CA -1.029 53.885 54.840 0.123 0.000 0.917 149 L CB -0.152 41.927 42.059 0.033 0.000 1.187 149 L HN 0.485 nan 8.230 nan 0.000 0.482 150 P HA 0.074 nan 4.420 nan 0.000 0.272 150 P C -0.123 177.265 177.300 0.146 0.000 1.230 150 P CA -0.364 62.583 63.100 -0.255 0.000 0.788 150 P CB 0.718 31.974 31.700 -0.741 0.000 0.949 151 Q N 1.277 121.237 119.800 0.266 0.000 1.942 151 Q HA -0.053 4.287 4.340 -0.000 0.000 0.203 151 Q C 2.099 178.238 176.000 0.231 0.000 0.987 151 Q CA 2.174 58.122 55.803 0.243 0.000 0.844 151 Q CB -1.266 27.555 28.738 0.138 0.000 0.911 151 Q HN 0.642 nan 8.270 nan 0.000 0.423 152 G N -0.887 108.081 108.800 0.280 0.000 3.210 152 G HA2 -0.030 3.930 3.960 -0.000 0.000 0.220 152 G HA3 -0.030 3.930 3.960 -0.000 0.000 0.220 152 G C -0.758 174.243 174.900 0.168 0.000 1.200 152 G CA -0.578 44.680 45.100 0.263 0.000 0.834 152 G HN 0.147 nan 8.290 nan 0.000 0.524 153 W N 1.134 122.257 121.300 -0.295 0.000 2.202 153 W HA 0.332 4.992 4.660 -0.000 0.000 0.332 153 W C 1.466 177.837 176.519 -0.246 0.000 1.263 153 W CA -1.412 55.656 57.345 -0.463 0.000 1.223 153 W CB 1.072 30.126 29.460 -0.677 0.000 1.128 153 W HN 0.012 nan 8.180 nan 0.000 0.573 154 K N 2.301 122.261 120.400 -0.733 0.000 2.280 154 K HA -0.071 4.248 4.320 -0.000 0.000 0.202 154 K C 1.514 177.517 176.600 -0.995 0.000 1.047 154 K CA 1.681 57.560 56.287 -0.680 0.000 0.942 154 K CB -0.411 31.843 32.500 -0.410 0.000 0.739 154 K HN 0.697 nan 8.250 nan 0.000 0.457 155 G N -0.733 106.878 108.800 -1.981 0.000 3.126 155 G HA2 -0.016 3.944 3.960 -0.000 0.000 0.224 155 G HA3 -0.016 3.944 3.960 -0.000 0.000 0.224 155 G C 1.032 175.154 174.900 -1.297 0.000 1.142 155 G CA -0.145 43.740 45.100 -2.026 0.000 0.759 155 G HN 0.194 nan 8.290 nan 0.000 0.550 156 S N 1.861 117.047 115.700 -0.857 0.000 2.356 156 S HA -0.073 4.397 4.470 -0.000 0.000 0.223 156 S C -0.066 174.088 174.600 -0.743 0.000 1.032 156 S CA 1.313 59.067 58.200 -0.742 0.000 1.005 156 S CB -0.685 61.972 63.200 -0.906 0.000 0.867 156 S HN 0.275 nan 8.310 nan 0.000 0.449 157 P HA -0.004 nan 4.420 nan 0.000 0.216 157 P C 1.473 178.656 177.300 -0.195 0.000 1.153 157 P CA 1.408 64.392 63.100 -0.194 0.000 0.848 157 P CB -0.101 31.525 31.700 -0.124 0.000 0.787 158 A N -0.499 122.099 122.820 -0.371 0.000 1.841 158 A HA -0.162 4.158 4.320 -0.000 0.000 0.214 158 A C 2.198 179.607 177.584 -0.291 0.000 1.195 158 A CA 1.520 53.357 52.037 -0.333 0.000 0.611 158 A CB -1.653 17.053 19.000 -0.490 0.000 0.835 158 A HN 0.081 nan 8.150 nan 0.000 0.443 159 I N -1.689 118.632 120.570 -0.415 0.000 2.286 159 I HA -0.223 3.947 4.170 -0.000 0.000 0.248 159 I C 2.345 178.369 176.117 -0.156 0.000 1.115 159 I CA 1.444 62.589 61.300 -0.259 0.000 1.392 159 I CB -0.328 37.520 38.000 -0.253 0.000 1.065 159 I HN 0.449 nan 8.210 nan 0.000 0.418 160 F N 1.812 121.605 119.950 -0.261 0.000 2.075 160 F HA -0.240 4.287 4.527 -0.000 0.000 0.297 160 F C 2.655 178.394 175.800 -0.101 0.000 1.113 160 F CA 1.660 59.568 58.000 -0.154 0.000 1.218 160 F CB -0.321 38.607 39.000 -0.120 0.000 0.984 160 F HN -0.004 nan 8.300 nan 0.000 0.472 161 Q N -0.049 119.649 119.800 -0.170 0.000 2.084 161 Q HA -0.187 4.153 4.340 -0.000 0.000 0.202 161 Q C 2.572 178.425 176.000 -0.245 0.000 0.978 161 Q CA 1.634 57.303 55.803 -0.223 0.000 0.844 161 Q CB -1.253 27.450 28.738 -0.059 0.000 0.898 161 Q HN 0.480 nan 8.270 nan 0.000 0.426 162 S N 0.316 115.908 115.700 -0.180 0.000 2.370 162 S HA -0.137 4.333 4.470 -0.000 0.000 0.226 162 S C 2.116 176.603 174.600 -0.188 0.000 1.033 162 S CA 1.600 59.716 58.200 -0.140 0.000 1.011 162 S CB -0.006 63.138 63.200 -0.093 0.000 0.852 162 S HN 0.352 nan 8.310 nan 0.000 0.457 163 S N 1.100 116.653 115.700 -0.244 0.000 2.368 163 S HA -0.046 4.424 4.470 -0.000 0.000 0.224 163 S C 1.791 176.184 174.600 -0.347 0.000 1.029 163 S CA 1.498 59.542 58.200 -0.260 0.000 0.988 163 S CB -0.412 62.654 63.200 -0.223 0.000 0.838 163 S HN 0.622 nan 8.310 nan 0.000 0.462 164 M N 1.934 121.241 119.600 -0.489 0.000 2.358 164 M HA -0.029 4.451 4.480 -0.000 0.000 0.264 164 M C 1.622 177.741 176.300 -0.302 0.000 1.064 164 M CA 1.403 56.423 55.300 -0.467 0.000 1.093 164 M CB -0.968 31.235 32.600 -0.661 0.000 1.401 164 M HN 0.114 nan 8.290 nan 0.000 0.440 165 T N 0.089 114.494 114.554 -0.248 0.000 2.896 165 T HA -0.017 4.333 4.350 -0.000 0.000 0.263 165 T C 1.738 176.343 174.700 -0.159 0.000 1.050 165 T CA 1.109 63.111 62.100 -0.164 0.000 1.140 165 T CB -0.022 68.777 68.868 -0.114 0.000 0.877 165 T HN 0.445 nan 8.240 nan 0.000 0.457 166 K N 0.896 121.177 120.400 -0.198 0.000 2.062 166 K HA 0.111 4.431 4.320 -0.000 0.000 0.205 166 K C 2.192 178.610 176.600 -0.305 0.000 1.051 166 K CA 0.939 57.099 56.287 -0.210 0.000 0.941 166 K CB -0.290 32.080 32.500 -0.216 0.000 0.719 166 K HN 0.311 nan 8.250 nan 0.000 0.440 167 I N 1.378 121.692 120.570 -0.427 0.000 2.264 167 I HA -0.300 3.870 4.170 -0.000 0.000 0.248 167 I C 2.144 178.148 176.117 -0.188 0.000 1.111 167 I CA 1.336 62.283 61.300 -0.588 0.000 1.382 167 I CB -0.242 37.420 38.000 -0.563 0.000 1.060 167 I HN 0.128 nan 8.210 nan 0.000 0.418 168 L N 0.002 121.151 121.223 -0.123 0.000 2.179 168 L HA -0.132 4.208 4.340 -0.000 0.000 0.208 168 L C 2.467 179.349 176.870 0.020 0.000 1.096 168 L CA 0.750 55.576 54.840 -0.023 0.000 0.779 168 L CB -0.526 41.494 42.059 -0.065 0.000 0.922 168 L HN 0.239 nan 8.230 nan 0.000 0.443 169 E N 0.881 121.070 120.200 -0.019 0.000 2.055 169 E HA -0.271 4.079 4.350 -0.000 0.000 0.209 169 E C -0.522 176.092 176.600 0.024 0.000 1.036 169 E CA 2.235 58.636 56.400 0.002 0.000 0.849 169 E CB -0.750 28.938 29.700 -0.020 0.000 0.767 169 E HN 0.235 nan 8.360 nan 0.000 0.461 170 P HA -0.193 nan 4.420 nan 0.000 0.216 170 P C 1.115 178.398 177.300 -0.029 0.000 1.157 170 P CA 1.425 64.548 63.100 0.038 0.000 0.880 170 P CB -0.199 31.588 31.700 0.145 0.000 0.791 171 F N 0.514 120.295 119.950 -0.282 0.000 2.146 171 F HA -0.110 4.417 4.527 -0.000 0.000 0.298 171 F C 1.941 177.655 175.800 -0.143 0.000 1.096 171 F CA 1.531 59.337 58.000 -0.324 0.000 1.275 171 F CB -0.413 38.298 39.000 -0.481 0.000 1.008 171 F HN -0.247 nan 8.300 nan 0.000 0.480 172 K N 0.411 120.931 120.400 0.200 0.000 2.002 172 K HA -0.251 4.069 4.320 -0.000 0.000 0.209 172 K C 2.241 178.838 176.600 -0.005 0.000 1.048 172 K CA 1.790 58.153 56.287 0.127 0.000 0.930 172 K CB -0.356 32.203 32.500 0.099 0.000 0.714 172 K HN 0.205 nan 8.250 nan 0.000 0.438 173 K N 1.427 121.815 120.400 -0.020 0.000 2.044 173 K HA -0.260 4.060 4.320 -0.000 0.000 0.210 173 K C 1.955 178.506 176.600 -0.082 0.000 1.049 173 K CA 1.819 58.084 56.287 -0.038 0.000 0.927 173 K CB -0.016 32.470 32.500 -0.025 0.000 0.713 173 K HN 0.181 nan 8.250 nan 0.000 0.443 174 Q N -0.311 119.400 119.800 -0.149 0.000 2.436 174 Q HA -0.001 4.339 4.340 -0.000 0.000 0.209 174 Q C -0.210 175.640 176.000 -0.249 0.000 0.965 174 Q CA 0.551 56.233 55.803 -0.201 0.000 0.910 174 Q CB 0.280 28.858 28.738 -0.266 0.000 0.980 174 Q HN 0.317 nan 8.270 nan 0.000 0.491 175 N N 0.209 118.756 118.700 -0.255 0.000 2.733 175 N HA 0.112 4.852 4.740 -0.000 0.000 0.271 175 N C -2.317 173.156 175.510 -0.061 0.000 1.720 175 N CA -0.796 52.133 53.050 -0.201 0.000 0.803 175 N CB 1.249 39.519 38.487 -0.362 0.000 1.208 175 N HN 0.085 nan 8.380 nan 0.000 0.498 176 P HA -0.141 nan 4.420 nan 0.000 0.222 176 P C 0.843 178.150 177.300 0.010 0.000 1.147 176 P CA 1.033 64.129 63.100 -0.006 0.000 0.790 176 P CB 0.595 32.288 31.700 -0.012 0.000 0.780 177 D N -0.634 119.769 120.400 0.005 0.000 2.312 177 D HA -0.034 4.606 4.640 -0.000 0.000 0.211 177 D C 0.405 176.735 176.300 0.050 0.000 0.964 177 D CA 0.383 54.395 54.000 0.020 0.000 0.877 177 D CB 0.073 40.881 40.800 0.013 0.000 0.924 177 D HN 0.056 nan 8.370 nan 0.000 0.515 178 I N 1.952 122.566 120.570 0.074 0.000 2.336 178 I HA 0.166 4.336 4.170 -0.000 0.000 0.292 178 I C 0.066 176.261 176.117 0.129 0.000 0.991 178 I CA -0.711 60.671 61.300 0.137 0.000 1.227 178 I CB 1.482 39.625 38.000 0.239 0.000 1.366 178 I HN -0.332 nan 8.210 nan 0.000 0.466 179 V N 7.923 127.904 119.914 0.112 0.000 2.427 179 V HA 0.502 4.622 4.120 -0.000 0.000 0.286 179 V C 0.183 176.341 176.094 0.107 0.000 1.034 179 V CA -0.503 61.852 62.300 0.091 0.000 0.893 179 V CB 2.067 33.922 31.823 0.054 0.000 0.982 179 V HN 0.445 nan 8.190 nan 0.000 0.452 180 I N 4.812 125.444 120.570 0.103 0.000 2.499 180 I HA 0.398 4.568 4.170 -0.000 0.000 0.288 180 I C -1.511 174.686 176.117 0.134 0.000 1.048 180 I CA -0.729 60.628 61.300 0.095 0.000 1.062 180 I CB 2.079 40.100 38.000 0.035 0.000 1.238 180 I HN 0.634 nan 8.210 nan 0.000 0.426 181 Y N 6.314 126.634 120.300 0.033 0.000 2.326 181 Y HA 0.431 4.981 4.550 -0.000 0.000 0.331 181 Y C -0.784 175.192 175.900 0.126 0.000 0.962 181 Y CA -0.783 57.337 58.100 0.033 0.000 1.167 181 Y CB 1.288 39.702 38.460 -0.077 0.000 1.148 181 Y HN 0.508 nan 8.280 nan 0.000 0.463 182 Q N 5.678 125.189 119.800 -0.481 0.000 2.296 182 Q HA 0.316 4.656 4.340 -0.000 0.000 0.257 182 Q C -1.775 173.939 176.000 -0.476 0.000 0.942 182 Q CA -0.770 54.833 55.803 -0.333 0.000 0.939 182 Q CB 1.836 30.466 28.738 -0.180 0.000 1.198 182 Q HN 0.699 nan 8.270 nan 0.000 0.429 183 Y N 4.714 124.845 120.300 -0.281 0.000 2.402 183 Y HA 0.336 4.886 4.550 -0.000 0.000 0.325 183 Y C 0.012 175.964 175.900 0.086 0.000 1.009 183 Y CA -0.857 57.207 58.100 -0.061 0.000 1.278 183 Y CB 0.366 38.995 38.460 0.280 0.000 1.105 183 Y HN 1.003 nan 8.280 nan 0.000 0.476 184 M N 1.431 120.909 119.600 -0.204 0.000 7.319 184 M HA -0.438 4.042 4.480 -0.000 0.000 0.313 184 M C 0.817 177.091 176.300 -0.044 0.000 0.480 184 M CA 2.129 57.310 55.300 -0.198 0.000 1.311 184 M CB -0.926 31.401 32.600 -0.455 0.000 0.421 184 M HN 0.596 nan 8.290 nan 0.000 0.747 185 D N 0.624 120.928 120.400 -0.160 0.000 2.117 185 D HA -0.033 4.607 4.640 -0.000 0.000 0.197 185 D C 0.024 176.285 176.300 -0.064 0.000 0.987 185 D CA 1.385 55.290 54.000 -0.157 0.000 0.829 185 D CB -0.234 40.433 40.800 -0.222 0.000 0.961 185 D HN 0.326 nan 8.370 nan 0.000 0.460 186 D N -0.209 120.153 120.400 -0.063 0.000 2.354 186 D HA 0.305 4.945 4.640 -0.000 0.000 0.247 186 D C -0.214 176.006 176.300 -0.133 0.000 1.138 186 D CA -0.267 53.649 54.000 -0.140 0.000 0.958 186 D CB 1.403 42.071 40.800 -0.221 0.000 1.144 186 D HN -0.097 nan 8.370 nan 0.000 0.458 187 L N 1.353 122.401 121.223 -0.292 0.000 2.439 187 L HA 0.254 4.594 4.340 -0.000 0.000 0.270 187 L C -1.437 175.229 176.870 -0.340 0.000 0.972 187 L CA -0.605 54.114 54.840 -0.201 0.000 0.836 187 L CB 1.253 43.216 42.059 -0.160 0.000 1.255 187 L HN 0.239 nan 8.230 nan 0.000 0.404 188 Y N 3.612 123.866 120.300 -0.077 0.000 2.353 188 Y HA 0.580 5.130 4.550 -0.000 0.000 0.340 188 Y C -0.012 175.880 175.900 -0.012 0.000 0.972 188 Y CA -0.829 57.225 58.100 -0.077 0.000 1.157 188 Y CB 1.418 39.807 38.460 -0.117 0.000 1.157 188 Y HN 0.185 nan 8.280 nan 0.000 0.495 189 V N 3.499 123.480 119.914 0.111 0.000 2.384 189 V HA 0.834 4.954 4.120 -0.000 0.000 0.287 189 V C 0.303 176.535 176.094 0.230 0.000 1.020 189 V CA -0.667 61.713 62.300 0.134 0.000 0.850 189 V CB 1.284 33.145 31.823 0.064 0.000 0.987 189 V HN 0.913 nan 8.190 nan 0.000 0.436 190 G N 2.842 111.751 108.800 0.182 0.000 2.574 190 G HA2 0.844 4.804 3.960 -0.000 0.000 0.299 190 G HA3 0.844 4.804 3.960 -0.000 0.000 0.299 190 G C -0.740 174.212 174.900 0.086 0.000 1.298 190 G CA -0.142 45.031 45.100 0.122 0.000 0.952 190 G HN 1.002 nan 8.290 nan 0.000 0.477 191 S N -0.947 114.734 115.700 -0.032 0.000 2.643 191 S HA 0.498 4.968 4.470 -0.000 0.000 0.270 191 S C -1.002 173.547 174.600 -0.085 0.000 1.166 191 S CA -0.728 57.466 58.200 -0.009 0.000 0.815 191 S CB 2.115 65.378 63.200 0.105 0.000 1.139 191 S HN 0.332 nan 8.310 nan 0.000 0.472 192 D N 0.456 120.832 120.400 -0.040 0.000 2.402 192 D HA 0.349 4.989 4.640 -0.000 0.000 0.216 192 D C 0.309 176.590 176.300 -0.031 0.000 1.128 192 D CA 0.047 54.019 54.000 -0.046 0.000 0.833 192 D CB 0.134 40.917 40.800 -0.028 0.000 0.971 192 D HN 0.388 nan 8.370 nan 0.000 0.503 193 L N 0.705 121.918 121.223 -0.017 0.000 2.479 193 L HA 0.143 4.483 4.340 -0.000 0.000 0.248 193 L C 1.114 177.992 176.870 0.013 0.000 1.205 193 L CA -0.461 54.394 54.840 0.024 0.000 0.817 193 L CB 0.593 42.707 42.059 0.092 0.000 1.162 193 L HN -0.217 nan 8.230 nan 0.000 0.486 194 E N 0.745 120.973 120.200 0.046 0.000 2.354 194 E HA 0.040 4.390 4.350 -0.000 0.000 0.269 194 E C 0.920 177.580 176.600 0.099 0.000 1.036 194 E CA 0.015 56.443 56.400 0.048 0.000 0.876 194 E CB 1.515 31.241 29.700 0.043 0.000 1.009 194 E HN 0.509 nan 8.360 nan 0.000 0.416 195 I N 2.498 123.120 120.570 0.086 0.000 2.367 195 I HA -0.299 3.871 4.170 -0.000 0.000 0.256 195 I C 1.598 177.803 176.117 0.146 0.000 1.132 195 I CA 1.840 63.227 61.300 0.145 0.000 1.397 195 I CB 0.068 38.125 38.000 0.096 0.000 1.074 195 I HN 0.592 nan 8.210 nan 0.000 0.435 196 G N -0.420 108.439 108.800 0.099 0.000 2.425 196 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.213 196 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.213 196 G C 1.330 176.281 174.900 0.085 0.000 1.201 196 G CA 0.440 45.586 45.100 0.077 0.000 0.799 196 G HN 0.399 nan 8.290 nan 0.000 0.534 197 Q N -0.466 119.388 119.800 0.091 0.000 2.297 197 Q HA 0.042 4.382 4.340 -0.000 0.000 0.204 197 Q C 2.016 178.093 176.000 0.129 0.000 0.962 197 Q CA 0.846 56.702 55.803 0.088 0.000 0.879 197 Q CB -0.334 28.447 28.738 0.072 0.000 0.947 197 Q HN 0.768 nan 8.270 nan 0.000 0.462 198 H N 0.692 119.794 119.070 0.054 0.000 2.307 198 H HA 0.026 4.582 4.556 -0.000 0.000 0.303 198 H C 1.613 176.993 175.328 0.086 0.000 1.073 198 H CA 1.151 57.239 56.048 0.068 0.000 1.338 198 H CB 0.344 30.144 29.762 0.064 0.000 1.389 198 H HN 0.107 nan 8.280 nan 0.000 0.503 199 R N -0.121 120.360 120.500 -0.032 0.000 2.152 199 R HA -0.086 4.254 4.340 -0.000 0.000 0.232 199 R C 2.426 178.718 176.300 -0.012 0.000 1.117 199 R CA 1.537 57.600 56.100 -0.061 0.000 0.981 199 R CB -0.131 30.188 30.300 0.031 0.000 0.870 199 R HN 0.351 nan 8.270 nan 0.000 0.451 200 T N 0.992 115.559 114.554 0.022 0.000 2.595 200 T HA -0.190 4.160 4.350 -0.000 0.000 0.264 200 T C 1.693 176.422 174.700 0.049 0.000 1.058 200 T CA 1.558 63.682 62.100 0.040 0.000 1.166 200 T CB -0.187 68.709 68.868 0.047 0.000 0.863 200 T HN 0.068 nan 8.240 nan 0.000 0.415 201 K N 0.930 121.362 120.400 0.053 0.000 2.127 201 K HA -0.081 4.239 4.320 -0.000 0.000 0.208 201 K C 1.996 178.669 176.600 0.123 0.000 1.047 201 K CA 1.078 57.426 56.287 0.102 0.000 0.927 201 K CB -0.765 31.805 32.500 0.116 0.000 0.716 201 K HN 0.209 nan 8.250 nan 0.000 0.450 202 I N 1.222 121.784 120.570 -0.012 0.000 2.127 202 I HA -0.228 3.942 4.170 -0.000 0.000 0.241 202 I C 2.092 178.235 176.117 0.042 0.000 1.075 202 I CA 1.437 62.713 61.300 -0.039 0.000 1.334 202 I CB -1.075 36.860 38.000 -0.109 0.000 1.040 202 I HN 0.287 nan 8.210 nan 0.000 0.405 203 E N 0.434 120.676 120.200 0.071 0.000 2.085 203 E HA -0.268 4.082 4.350 -0.000 0.000 0.194 203 E C 2.046 178.718 176.600 0.121 0.000 0.994 203 E CA 1.162 57.617 56.400 0.092 0.000 0.801 203 E CB -0.291 29.456 29.700 0.077 0.000 0.743 203 E HN 0.552 nan 8.360 nan 0.000 0.453 204 E N 0.264 120.558 120.200 0.156 0.000 2.209 204 E HA -0.207 4.143 4.350 -0.000 0.000 0.196 204 E C 2.108 178.922 176.600 0.357 0.000 0.993 204 E CA 0.818 57.355 56.400 0.227 0.000 0.819 204 E CB -0.044 29.783 29.700 0.212 0.000 0.745 204 E HN 0.108 nan 8.360 nan 0.000 0.477 205 L N 0.717 122.106 121.223 0.278 0.000 2.068 205 L HA -0.020 4.320 4.340 -0.000 0.000 0.204 205 L C 2.305 179.180 176.870 0.008 0.000 1.076 205 L CA 1.362 56.187 54.840 -0.026 0.000 0.753 205 L CB -0.245 41.568 42.059 -0.410 0.000 0.910 205 L HN -0.050 nan 8.230 nan 0.000 0.439 206 R N -0.704 119.810 120.500 0.023 0.000 2.096 206 R HA -0.190 4.150 4.340 -0.000 0.000 0.240 206 R C 2.243 178.588 176.300 0.075 0.000 1.139 206 R CA 1.679 57.799 56.100 0.034 0.000 0.952 206 R CB -0.516 29.820 30.300 0.060 0.000 0.854 206 R HN 0.459 nan 8.270 nan 0.000 0.436 207 Q N -0.314 119.552 119.800 0.110 0.000 2.124 207 Q HA -0.197 4.143 4.340 -0.000 0.000 0.202 207 Q C 1.980 178.068 176.000 0.146 0.000 0.977 207 Q CA 1.638 57.508 55.803 0.113 0.000 0.850 207 Q CB -0.482 28.328 28.738 0.119 0.000 0.901 207 Q HN 0.526 nan 8.270 nan 0.000 0.429 208 H N 0.370 119.525 119.070 0.142 0.000 2.387 208 H HA -0.011 4.545 4.556 -0.000 0.000 0.299 208 H C 1.900 177.372 175.328 0.240 0.000 1.090 208 H CA 1.292 57.469 56.048 0.216 0.000 1.332 208 H CB -0.115 29.824 29.762 0.295 0.000 1.386 208 H HN 0.115 nan 8.280 nan 0.000 0.516 209 L N -0.466 120.793 121.223 0.060 0.000 2.109 209 L HA -0.092 4.248 4.340 -0.000 0.000 0.207 209 L C 2.488 179.394 176.870 0.059 0.000 1.086 209 L CA 0.683 55.543 54.840 0.034 0.000 0.760 209 L CB -0.261 41.811 42.059 0.022 0.000 0.910 209 L HN 0.315 nan 8.230 nan 0.000 0.437 210 L N -0.305 120.943 121.223 0.041 0.000 2.201 210 L HA -0.168 4.172 4.340 -0.000 0.000 0.212 210 L C 2.693 179.553 176.870 -0.015 0.000 1.105 210 L CA 0.937 55.794 54.840 0.028 0.000 0.775 210 L CB -0.181 41.895 42.059 0.028 0.000 0.913 210 L HN 0.213 nan 8.230 nan 0.000 0.440 211 R N -1.242 119.217 120.500 -0.067 0.000 2.280 211 R HA -0.161 4.179 4.340 -0.000 0.000 0.207 211 R C 0.803 176.865 176.300 -0.396 0.000 1.043 211 R CA 0.857 56.825 56.100 -0.220 0.000 1.006 211 R CB 0.062 30.211 30.300 -0.252 0.000 0.885 211 R HN 0.386 nan 8.270 nan 0.000 0.467 212 W N -0.991 120.232 121.300 -0.129 0.000 2.818 212 W HA 0.315 4.975 4.660 -0.000 0.000 0.403 212 W C 0.855 177.349 176.519 -0.042 0.000 0.991 212 W CA 0.301 57.585 57.345 -0.102 0.000 1.925 212 W CB 1.171 30.534 29.460 -0.162 0.000 1.166 212 W HN 0.199 nan 8.180 nan 0.000 0.605 213 G N 0.849 109.728 108.800 0.132 0.000 2.157 213 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.248 213 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.248 213 G C -0.244 174.732 174.900 0.126 0.000 0.979 213 G CA -0.208 44.963 45.100 0.119 0.000 0.650 213 G HN 0.152 nan 8.290 nan 0.000 0.529 214 L N 2.344 123.639 121.223 0.120 0.000 2.294 214 L HA 0.511 4.851 4.340 -0.000 0.000 0.283 214 L C 0.981 177.895 176.870 0.074 0.000 1.015 214 L CA -0.436 54.468 54.840 0.107 0.000 0.831 214 L CB 1.515 43.638 42.059 0.106 0.000 1.217 214 L HN 0.308 nan 8.230 nan 0.000 0.420 215 T N -0.809 113.786 114.554 0.069 0.000 2.904 215 T HA 0.475 4.825 4.350 -0.000 0.000 0.290 215 T C 0.064 174.788 174.700 0.040 0.000 1.018 215 T CA -0.512 61.619 62.100 0.052 0.000 1.075 215 T CB 2.050 70.948 68.868 0.050 0.000 0.986 215 T HN 0.586 nan 8.240 nan 0.000 0.523 216 T N 1.311 115.888 114.554 0.038 0.000 2.932 216 T HA 0.529 4.879 4.350 -0.000 0.000 0.318 216 T C -2.985 171.754 174.700 0.066 0.000 1.265 216 T CA -1.351 60.766 62.100 0.028 0.000 1.036 216 T CB 1.048 69.916 68.868 -0.000 0.000 1.209 216 T HN 0.534 nan 8.240 nan 0.000 0.484 217 P HA 0.083 nan 4.420 nan 0.000 0.268 217 P C 0.183 177.614 177.300 0.218 0.000 1.189 217 P CA 0.178 63.374 63.100 0.160 0.000 0.771 217 P CB 0.472 32.317 31.700 0.241 0.000 0.822 218 D N 1.013 121.466 120.400 0.088 0.000 2.290 218 D HA -0.039 4.601 4.640 -0.000 0.000 0.224 218 D C 1.080 177.234 176.300 -0.243 0.000 0.967 218 D CA 1.098 55.095 54.000 -0.005 0.000 0.893 218 D CB 0.413 41.207 40.800 -0.010 0.000 1.037 218 D HN 0.140 nan 8.370 nan 0.000 0.477 219 K N -0.386 119.863 120.400 -0.252 0.000 2.614 219 K HA 0.129 4.449 4.320 -0.000 0.000 0.198 219 K C 0.389 176.882 176.600 -0.178 0.000 1.338 219 K CA -0.008 56.063 56.287 -0.360 0.000 1.066 219 K CB 0.338 32.730 32.500 -0.181 0.000 1.119 219 K HN -0.230 nan 8.250 nan 0.000 0.609 220 K N 0.827 121.196 120.400 -0.051 0.000 2.476 220 K HA 0.113 4.433 4.320 -0.000 0.000 0.196 220 K C -0.634 176.053 176.600 0.144 0.000 1.025 220 K CA 0.001 56.315 56.287 0.046 0.000 1.138 220 K CB -0.390 32.142 32.500 0.054 0.000 0.860 220 K HN 0.424 nan 8.250 nan 0.000 0.515 221 H N 1.470 120.561 119.070 0.035 0.000 3.257 221 H HA -0.083 4.473 4.556 -0.000 0.000 0.256 221 H C 1.285 176.666 175.328 0.087 0.000 0.885 221 H CA -0.185 55.892 56.048 0.048 0.000 1.406 221 H CB 0.338 30.132 29.762 0.054 0.000 1.506 221 H HN 0.208 nan 8.280 nan 0.000 0.527 222 Q N 3.682 123.600 119.800 0.197 0.000 2.576 222 Q HA -0.144 4.196 4.340 -0.000 0.000 0.218 222 Q C 1.281 177.504 176.000 0.372 0.000 0.983 222 Q CA 0.468 56.395 55.803 0.207 0.000 0.920 222 Q CB 0.138 28.954 28.738 0.130 0.000 0.973 222 Q HN 0.457 nan 8.270 nan 0.000 0.528 223 K N 1.805 122.429 120.400 0.373 0.000 2.174 223 K HA -0.217 4.103 4.320 -0.000 0.000 0.247 223 K C -0.521 176.229 176.600 0.250 0.000 1.056 223 K CA 1.112 57.706 56.287 0.511 0.000 0.799 223 K CB 0.099 32.810 32.500 0.352 0.000 1.066 223 K HN 0.383 nan 8.250 nan 0.000 0.530 224 E N 0.186 120.385 120.200 -0.002 0.000 6.890 224 E HA -0.105 4.245 4.350 -0.000 0.000 0.195 224 E C -2.349 173.863 176.600 -0.647 0.000 1.108 224 E CA -0.119 56.143 56.400 -0.229 0.000 1.547 224 E CB -0.357 29.319 29.700 -0.041 0.000 0.935 224 E HN 0.588 nan 8.360 nan 0.000 0.290 225 P HA 0.142 nan 4.420 nan 0.000 0.272 225 P C -2.371 174.735 177.300 -0.324 0.000 1.254 225 P CA -0.995 61.596 63.100 -0.848 0.000 0.795 225 P CB -0.224 31.172 31.700 -0.507 0.000 1.022 226 P HA 0.115 nan 4.420 nan 0.000 0.264 226 P C -0.752 176.487 177.300 -0.101 0.000 1.193 226 P CA 0.807 63.750 63.100 -0.261 0.000 0.763 226 P CB -0.129 31.453 31.700 -0.196 0.000 0.810 227 F N 2.625 122.589 119.950 0.023 0.000 2.436 227 F HA 0.375 4.902 4.527 -0.000 0.000 0.340 227 F C 0.372 176.287 175.800 0.192 0.000 1.113 227 F CA -0.831 57.251 58.000 0.137 0.000 1.022 227 F CB 0.832 39.939 39.000 0.178 0.000 1.128 227 F HN 0.040 nan 8.300 nan 0.000 0.466 228 L N 3.134 124.630 121.223 0.455 0.000 2.272 228 L HA 0.360 4.700 4.340 -0.000 0.000 0.289 228 L C -1.284 175.842 176.870 0.426 0.000 1.032 228 L CA -0.582 54.474 54.840 0.361 0.000 0.810 228 L CB 1.349 43.560 42.059 0.253 0.000 1.205 228 L HN 0.713 nan 8.230 nan 0.000 0.422 229 W N 6.036 127.439 121.300 0.172 0.000 3.439 229 W HA 0.348 5.008 4.660 -0.000 0.000 0.323 229 W C -0.011 176.554 176.519 0.077 0.000 1.174 229 W CA -0.705 56.698 57.345 0.097 0.000 1.224 229 W CB 1.217 30.673 29.460 -0.006 0.000 1.348 229 W HN 0.407 nan 8.180 nan 0.000 0.498 230 M N 4.739 123.944 119.600 -0.659 0.000 2.642 230 M HA -0.249 4.231 4.480 -0.000 0.000 0.184 230 M C 1.129 177.062 176.300 -0.612 0.000 0.572 230 M CA 2.213 57.039 55.300 -0.790 0.000 0.537 230 M CB -2.216 29.566 32.600 -1.364 0.000 1.960 230 M HN 1.609 nan 8.290 nan 0.000 0.659 231 G N -2.070 106.512 108.800 -0.364 0.000 2.179 231 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.220 231 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.220 231 G C -0.290 174.642 174.900 0.054 0.000 0.990 231 G CA 0.205 45.114 45.100 -0.319 0.000 0.646 231 G HN 0.496 nan 8.290 nan 0.000 0.517 232 Y N 0.028 120.512 120.300 0.307 0.000 2.602 232 Y HA 0.749 5.299 4.550 -0.000 0.000 0.330 232 Y C 0.534 176.635 175.900 0.334 0.000 1.114 232 Y CA -1.387 56.936 58.100 0.371 0.000 1.182 232 Y CB 1.283 39.952 38.460 0.348 0.000 1.305 232 Y HN 0.099 nan 8.280 nan 0.000 0.502 233 E N 1.638 122.164 120.200 0.544 0.000 2.373 233 E HA 0.430 4.780 4.350 -0.000 0.000 0.251 233 E C -2.164 174.651 176.600 0.359 0.000 0.923 233 E CA -0.549 56.071 56.400 0.367 0.000 0.798 233 E CB 0.557 30.433 29.700 0.293 0.000 1.303 233 E HN 0.515 nan 8.360 nan 0.000 0.412 234 L N 4.701 126.126 121.223 0.336 0.000 2.289 234 L HA 0.407 4.747 4.340 -0.000 0.000 0.285 234 L C 0.242 177.204 176.870 0.153 0.000 1.049 234 L CA -0.450 54.619 54.840 0.382 0.000 0.804 234 L CB 1.093 43.411 42.059 0.433 0.000 1.195 234 L HN 0.484 nan 8.230 nan 0.000 0.428 235 H N 3.434 122.722 119.070 0.365 0.000 2.595 235 H HA 0.328 4.884 4.556 -0.000 0.000 0.346 235 H C -1.679 173.820 175.328 0.286 0.000 1.181 235 H CA -1.711 54.477 56.048 0.234 0.000 1.242 235 H CB 1.687 31.552 29.762 0.172 0.000 1.652 235 H HN 0.382 nan 8.280 nan 0.000 0.548 236 P HA -0.112 nan 4.420 nan 0.000 0.222 236 P C 0.482 177.948 177.300 0.278 0.000 1.147 236 P CA 1.249 64.456 63.100 0.179 0.000 0.790 236 P CB 0.509 32.252 31.700 0.072 0.000 0.780 237 D N -0.543 120.050 120.400 0.321 0.000 2.379 237 D HA 0.079 4.719 4.640 -0.000 0.000 0.208 237 D C 0.972 177.452 176.300 0.301 0.000 1.065 237 D CA 0.558 54.725 54.000 0.279 0.000 0.848 237 D CB 0.545 41.409 40.800 0.107 0.000 0.949 237 D HN 0.422 nan 8.370 nan 0.000 0.509 238 K N -1.245 119.377 120.400 0.371 0.000 2.770 238 K HA 0.354 4.674 4.320 -0.000 0.000 0.289 238 K C -1.452 175.260 176.600 0.187 0.000 1.051 238 K CA -1.138 55.157 56.287 0.012 0.000 0.814 238 K CB 1.206 33.663 32.500 -0.072 0.000 1.512 238 K HN -0.005 nan 8.250 nan 0.000 0.368 239 W N -0.352 120.913 121.300 -0.058 0.000 3.066 239 W HA 0.717 5.377 4.660 -0.000 0.000 0.330 239 W C -1.718 174.847 176.519 0.077 0.000 1.253 239 W CA -0.668 56.735 57.345 0.097 0.000 1.187 239 W CB 1.161 30.573 29.460 -0.080 0.000 1.434 239 W HN 0.904 nan 8.180 nan 0.000 0.572 240 T N -0.108 114.524 114.554 0.130 0.000 2.661 240 T HA 0.528 4.878 4.350 -0.000 0.000 0.305 240 T C -1.092 173.823 174.700 0.358 0.000 1.441 240 T CA -0.040 61.927 62.100 -0.222 0.000 0.999 240 T CB 0.953 69.534 68.868 -0.478 0.000 1.650 240 T HN 0.993 nan 8.240 nan 0.000 0.489 241 V N 0.638 120.729 119.914 0.295 0.000 2.863 241 V HA 0.655 4.775 4.120 -0.000 0.000 0.307 241 V C 0.325 176.639 176.094 0.366 0.000 1.061 241 V CA -0.837 61.752 62.300 0.481 0.000 1.024 241 V CB 0.836 32.887 31.823 0.381 0.000 1.049 241 V HN 0.974 nan 8.190 nan 0.000 0.471 242 Q N 1.689 121.712 119.800 0.371 0.000 2.392 242 Q HA 0.255 4.595 4.340 -0.000 0.000 0.262 242 Q C -2.283 173.838 176.000 0.202 0.000 1.003 242 Q CA -1.222 54.728 55.803 0.245 0.000 0.888 242 Q CB 0.203 29.047 28.738 0.177 0.000 1.260 242 Q HN 0.620 nan 8.270 nan 0.000 0.435 243 P HA -0.156 nan 4.420 nan 0.000 0.255 243 P C -1.058 176.291 177.300 0.082 0.000 1.151 243 P CA 0.720 63.885 63.100 0.108 0.000 0.767 243 P CB 0.188 31.942 31.700 0.089 0.000 0.736 244 I N 4.459 125.061 120.570 0.054 0.000 2.365 244 I HA 0.330 4.500 4.170 -0.000 0.000 0.291 244 I C 0.386 176.501 176.117 -0.004 0.000 1.004 244 I CA -0.465 60.848 61.300 0.022 0.000 1.311 244 I CB 1.378 39.358 38.000 -0.034 0.000 1.401 244 I HN 0.073 nan 8.210 nan 0.000 0.491 245 V N 7.953 127.873 119.914 0.010 0.000 2.524 245 V HA 0.441 4.561 4.120 -0.000 0.000 0.297 245 V C -0.770 175.341 176.094 0.029 0.000 1.035 245 V CA -0.572 61.735 62.300 0.012 0.000 0.867 245 V CB 1.897 33.730 31.823 0.017 0.000 1.004 245 V HN 0.509 nan 8.190 nan 0.000 0.426 246 L N 8.709 129.954 121.223 0.037 0.000 2.260 246 L HA 0.426 4.766 4.340 -0.000 0.000 0.289 246 L C -1.076 175.860 176.870 0.109 0.000 1.057 246 L CA -1.461 53.433 54.840 0.090 0.000 0.811 246 L CB 1.052 43.159 42.059 0.081 0.000 1.184 246 L HN 0.484 nan 8.230 nan 0.000 0.429 247 P HA -0.277 nan 4.420 nan 0.000 0.218 247 P C 0.175 177.474 177.300 -0.001 0.000 1.165 247 P CA 1.180 64.295 63.100 0.024 0.000 0.922 247 P CB 0.116 31.782 31.700 -0.057 0.000 0.794 248 E N -2.313 117.939 120.200 0.087 0.000 2.267 248 E HA -0.159 4.191 4.350 -0.000 0.000 0.237 248 E C -0.783 175.751 176.600 -0.109 0.000 1.170 248 E CA -0.044 56.405 56.400 0.082 0.000 0.704 248 E CB -1.275 28.456 29.700 0.051 0.000 1.234 248 E HN 0.290 nan 8.360 nan 0.000 0.397 249 K N 0.098 120.253 120.400 -0.410 0.000 2.090 249 K HA 0.201 4.521 4.320 -0.000 0.000 0.250 249 K C 0.587 176.965 176.600 -0.371 0.000 1.004 249 K CA -0.514 55.434 56.287 -0.565 0.000 0.919 249 K CB 0.535 32.384 32.500 -1.086 0.000 1.045 249 K HN 0.059 nan 8.250 nan 0.000 0.471 250 D N -0.049 120.190 120.400 -0.267 0.000 2.213 250 D HA 0.002 4.642 4.640 -0.000 0.000 0.205 250 D C 0.022 176.255 176.300 -0.111 0.000 0.961 250 D CA 1.038 54.966 54.000 -0.121 0.000 0.853 250 D CB 0.361 41.110 40.800 -0.084 0.000 0.967 250 D HN 0.242 nan 8.370 nan 0.000 0.496 251 S N -0.864 114.693 115.700 -0.238 0.000 2.638 251 S HA 0.585 5.055 4.470 -0.000 0.000 0.302 251 S C -1.245 173.159 174.600 -0.327 0.000 1.096 251 S CA -0.779 57.341 58.200 -0.134 0.000 0.953 251 S CB 1.745 64.900 63.200 -0.075 0.000 1.107 251 S HN 0.087 nan 8.310 nan 0.000 0.503 252 W N 1.160 122.453 121.300 -0.012 0.000 2.781 252 W HA 0.472 5.132 4.660 0.000 0.000 0.333 252 W C 0.207 176.719 176.519 -0.012 0.000 1.047 252 W CA -0.628 56.710 57.345 -0.013 0.000 1.236 252 W CB 1.362 30.814 29.460 -0.013 0.000 1.394 252 W HN 0.707 nan 8.180 nan 0.000 0.466 253 T N -1.588 113.075 114.554 0.181 0.000 2.927 253 T HA 0.307 4.657 4.350 -0.000 0.000 0.281 253 T C 0.838 175.613 174.700 0.126 0.000 0.998 253 T CA -0.694 61.472 62.100 0.110 0.000 1.019 253 T CB 1.479 70.377 68.868 0.050 0.000 1.061 253 T HN 0.220 nan 8.240 nan 0.000 0.518 254 V N 1.913 121.873 119.914 0.077 0.000 2.324 254 V HA -0.219 3.901 4.120 -0.000 0.000 0.250 254 V C 2.869 179.000 176.094 0.061 0.000 1.060 254 V CA 2.549 64.884 62.300 0.058 0.000 1.042 254 V CB -1.321 30.522 31.823 0.033 0.000 0.650 254 V HN 1.007 nan 8.190 nan 0.000 0.450 255 N N 0.281 119.014 118.700 0.055 0.000 2.104 255 N HA -0.190 4.550 4.740 -0.000 0.000 0.190 255 N C 1.492 177.049 175.510 0.078 0.000 1.024 255 N CA 1.861 54.939 53.050 0.047 0.000 0.853 255 N CB -0.276 38.228 38.487 0.028 0.000 1.008 255 N HN 0.471 nan 8.380 nan 0.000 0.424 256 D N -0.025 120.451 120.400 0.127 0.000 2.117 256 D HA -0.112 4.528 4.640 -0.000 0.000 0.197 256 D C 1.907 178.378 176.300 0.284 0.000 0.987 256 D CA 0.711 54.849 54.000 0.230 0.000 0.829 256 D CB -0.201 40.789 40.800 0.317 0.000 0.961 256 D HN 0.302 nan 8.370 nan 0.000 0.460 257 I N 0.935 121.629 120.570 0.208 0.000 2.226 257 I HA -0.207 3.963 4.170 -0.000 0.000 0.245 257 I C 2.340 178.473 176.117 0.026 0.000 1.100 257 I CA 1.085 62.418 61.300 0.055 0.000 1.374 257 I CB -1.135 36.864 38.000 -0.002 0.000 1.057 257 I HN 0.101 nan 8.210 nan 0.000 0.413 258 Q N 0.631 120.455 119.800 0.040 0.000 2.084 258 Q HA -0.207 4.133 4.340 -0.000 0.000 0.202 258 Q C 2.290 178.306 176.000 0.026 0.000 0.978 258 Q CA 1.571 57.387 55.803 0.022 0.000 0.844 258 Q CB -0.015 28.734 28.738 0.019 0.000 0.898 258 Q HN 0.462 nan 8.270 nan 0.000 0.426 259 K N 0.414 120.841 120.400 0.045 0.000 2.026 259 K HA -0.119 4.201 4.320 -0.000 0.000 0.208 259 K C 2.095 178.723 176.600 0.047 0.000 1.048 259 K CA 0.868 57.178 56.287 0.040 0.000 0.929 259 K CB -0.179 32.352 32.500 0.052 0.000 0.713 259 K HN 0.198 nan 8.250 nan 0.000 0.439 260 L N 0.967 122.232 121.223 0.070 0.000 2.012 260 L HA -0.219 4.121 4.340 -0.000 0.000 0.210 260 L C 2.168 179.040 176.870 0.004 0.000 1.073 260 L CA 1.254 56.120 54.840 0.042 0.000 0.748 260 L CB -0.199 41.857 42.059 -0.005 0.000 0.891 260 L HN 0.026 nan 8.230 nan 0.000 0.431 261 V N -0.132 119.775 119.914 -0.010 0.000 2.490 261 V HA -0.228 3.892 4.120 -0.000 0.000 0.250 261 V C 2.544 178.653 176.094 0.025 0.000 1.061 261 V CA 1.767 64.062 62.300 -0.009 0.000 1.064 261 V CB -1.167 30.646 31.823 -0.017 0.000 0.670 261 V HN 0.651 nan 8.190 nan 0.000 0.461 262 G N -0.051 108.768 108.800 0.031 0.000 2.414 262 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.215 262 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.215 262 G C 1.630 176.588 174.900 0.097 0.000 1.188 262 G CA 0.480 45.610 45.100 0.050 0.000 0.783 262 G HN 0.394 nan 8.290 nan 0.000 0.537 263 K N 0.508 120.953 120.400 0.074 0.000 2.032 263 K HA 0.004 4.324 4.320 -0.000 0.000 0.209 263 K C 2.549 179.236 176.600 0.145 0.000 1.048 263 K CA 0.703 57.059 56.287 0.116 0.000 0.927 263 K CB -0.825 31.714 32.500 0.065 0.000 0.712 263 K HN 0.334 nan 8.250 nan 0.000 0.441 264 L N 1.469 122.734 121.223 0.071 0.000 2.012 264 L HA -0.227 4.113 4.340 -0.000 0.000 0.210 264 L C 2.191 179.105 176.870 0.074 0.000 1.073 264 L CA 1.192 56.056 54.840 0.040 0.000 0.748 264 L CB -0.613 41.444 42.059 -0.003 0.000 0.891 264 L HN 0.206 nan 8.230 nan 0.000 0.431 265 N N -0.650 118.107 118.700 0.095 0.000 2.149 265 N HA -0.250 4.490 4.740 -0.000 0.000 0.188 265 N C 1.516 177.122 175.510 0.161 0.000 1.019 265 N CA 1.259 54.374 53.050 0.109 0.000 0.857 265 N CB -0.302 38.252 38.487 0.112 0.000 0.997 265 N HN 0.515 nan 8.380 nan 0.000 0.426 266 W N 1.617 122.934 121.300 0.028 0.000 2.388 266 W HA -0.028 4.632 4.660 0.000 0.000 0.294 266 W C 1.747 178.331 176.519 0.109 0.000 1.212 266 W CA 1.346 58.717 57.345 0.044 0.000 1.271 266 W CB 0.000 29.457 29.460 -0.005 0.000 1.126 266 W HN 0.025 nan 8.180 nan 0.000 0.535 267 A N 0.415 123.303 122.820 0.114 0.000 2.067 267 A HA -0.155 4.165 4.320 -0.000 0.000 0.217 267 A C 1.910 179.566 177.584 0.120 0.000 1.156 267 A CA 1.611 53.716 52.037 0.113 0.000 0.683 267 A CB -1.111 17.918 19.000 0.048 0.000 0.808 267 A HN 0.302 nan 8.150 nan 0.000 0.455 268 S N -0.155 115.575 115.700 0.050 0.000 2.584 268 S HA -0.173 4.297 4.470 -0.000 0.000 0.240 268 S C 1.451 176.042 174.600 -0.015 0.000 0.975 268 S CA 1.112 59.328 58.200 0.027 0.000 0.949 268 S CB -0.523 62.682 63.200 0.008 0.000 0.761 268 S HN 0.710 nan 8.310 nan 0.000 0.536 269 Q N -0.570 119.218 119.800 -0.020 0.000 2.378 269 Q HA 0.257 4.597 4.340 -0.000 0.000 0.205 269 Q C 1.472 177.525 176.000 0.088 0.000 0.954 269 Q CA 0.924 56.745 55.803 0.030 0.000 0.901 269 Q CB -0.028 28.750 28.738 0.067 0.000 0.981 269 Q HN 0.675 nan 8.270 nan 0.000 0.483 270 I N -2.520 118.051 120.570 0.002 0.000 5.061 270 I HA 0.052 4.222 4.170 -0.000 0.000 0.336 270 I C -0.806 175.140 176.117 -0.285 0.000 1.247 270 I CA -0.098 61.099 61.300 -0.171 0.000 1.418 270 I CB 0.998 38.745 38.000 -0.422 0.000 1.467 270 I HN -0.122 nan 8.210 nan 0.000 0.510 271 Y N 5.387 125.628 120.300 -0.100 0.000 2.600 271 Y HA 0.393 4.943 4.550 -0.000 0.000 0.351 271 Y C -2.039 173.813 175.900 -0.080 0.000 1.042 271 Y CA -2.626 55.422 58.100 -0.088 0.000 1.333 271 Y CB -0.161 38.258 38.460 -0.070 0.000 1.172 271 Y HN 0.081 nan 8.280 nan 0.000 0.517 272 P HA 0.049 nan 4.420 nan 0.000 0.268 272 P C 0.809 178.110 177.300 0.001 0.000 1.205 272 P CA 0.920 64.007 63.100 -0.022 0.000 0.771 272 P CB 1.315 32.988 31.700 -0.043 0.000 0.858 273 G N 2.361 111.151 108.800 -0.016 0.000 2.179 273 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.260 273 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.260 273 G C 0.332 175.224 174.900 -0.014 0.000 0.977 273 G CA -0.421 44.669 45.100 -0.016 0.000 0.641 273 G HN 0.486 nan 8.290 nan 0.000 0.533 274 I N 0.648 121.216 120.570 -0.003 0.000 2.815 274 I HA 0.252 4.422 4.170 -0.000 0.000 0.291 274 I C 0.720 176.823 176.117 -0.022 0.000 1.209 274 I CA 0.823 62.116 61.300 -0.011 0.000 1.431 274 I CB 1.035 39.035 38.000 0.001 0.000 1.351 274 I HN 0.197 nan 8.210 nan 0.000 0.585 275 K N 4.685 125.064 120.400 -0.035 0.000 2.427 275 K HA 0.545 4.865 4.320 -0.000 0.000 0.252 275 K C -0.154 176.416 176.600 -0.050 0.000 0.931 275 K CA -0.455 55.807 56.287 -0.042 0.000 0.793 275 K CB 2.082 34.552 32.500 -0.051 0.000 1.211 275 K HN 0.402 nan 8.250 nan 0.000 0.426 276 V N 1.109 120.995 119.914 -0.047 0.000 3.261 276 V HA 0.252 4.372 4.120 -0.000 0.000 0.330 276 V C 1.230 177.290 176.094 -0.057 0.000 1.461 276 V CA -0.260 62.007 62.300 -0.055 0.000 1.127 276 V CB 0.350 32.148 31.823 -0.041 0.000 1.044 276 V HN 0.838 nan 8.190 nan 0.000 0.499 277 R N 0.471 120.938 120.500 -0.056 0.000 2.073 277 R HA -0.099 4.241 4.340 -0.000 0.000 0.234 277 R C 2.205 178.469 176.300 -0.060 0.000 1.134 277 R CA 2.188 58.255 56.100 -0.055 0.000 0.952 277 R CB -0.053 30.213 30.300 -0.056 0.000 0.850 277 R HN 0.556 nan 8.270 nan 0.000 0.433 278 Q N 0.566 120.324 119.800 -0.068 0.000 2.084 278 Q HA -0.141 4.199 4.340 -0.000 0.000 0.202 278 Q C 2.286 178.234 176.000 -0.086 0.000 0.978 278 Q CA 1.335 57.094 55.803 -0.073 0.000 0.844 278 Q CB -0.243 28.448 28.738 -0.079 0.000 0.898 278 Q HN 0.407 nan 8.270 nan 0.000 0.426 279 L N -0.607 120.555 121.223 -0.101 0.000 2.056 279 L HA -0.169 4.171 4.340 -0.000 0.000 0.207 279 L C 2.632 179.449 176.870 -0.089 0.000 1.078 279 L CA 0.805 55.572 54.840 -0.123 0.000 0.749 279 L CB -0.452 41.518 42.059 -0.149 0.000 0.901 279 L HN 0.212 nan 8.230 nan 0.000 0.433 280 C N -0.124 119.136 119.300 -0.067 0.000 2.432 280 C HA -0.128 4.332 4.460 -0.000 0.000 0.280 280 C C 2.777 177.741 174.990 -0.043 0.000 1.353 280 C CA 0.654 59.644 59.018 -0.048 0.000 1.766 280 C CB -0.660 27.057 27.740 -0.039 0.000 1.924 280 C HN 0.408 nan 8.230 nan 0.000 0.509 281 K N 0.511 120.882 120.400 -0.047 0.000 2.103 281 K HA -0.116 4.204 4.320 -0.000 0.000 0.207 281 K C 1.722 178.300 176.600 -0.036 0.000 1.048 281 K CA 1.221 57.484 56.287 -0.040 0.000 0.930 281 K CB -0.204 32.270 32.500 -0.043 0.000 0.716 281 K HN 0.514 nan 8.250 nan 0.000 0.444 282 L N 0.634 121.830 121.223 -0.045 0.000 2.083 282 L HA -0.162 4.178 4.340 -0.000 0.000 0.209 282 L C 1.927 178.783 176.870 -0.025 0.000 1.083 282 L CA 0.974 55.791 54.840 -0.038 0.000 0.752 282 L CB -0.494 41.533 42.059 -0.053 0.000 0.899 282 L HN 0.166 nan 8.230 nan 0.000 0.433 283 L N 0.022 121.229 121.223 -0.026 0.000 2.711 283 L HA -0.019 4.321 4.340 -0.000 0.000 0.242 283 L C 0.850 177.713 176.870 -0.011 0.000 1.153 283 L CA 0.131 54.962 54.840 -0.015 0.000 0.898 283 L CB -0.533 41.517 42.059 -0.016 0.000 1.044 283 L HN 0.190 nan 8.230 nan 0.000 0.437 284 R N 0.503 120.995 120.500 -0.014 0.000 2.357 284 R HA 0.489 4.829 4.340 -0.000 0.000 0.296 284 R C 0.282 176.578 176.300 -0.007 0.000 1.052 284 R CA 0.190 56.283 56.100 -0.011 0.000 0.988 284 R CB 1.068 31.360 30.300 -0.014 0.000 1.025 284 R HN 0.157 nan 8.270 nan 0.000 0.469 285 G N 1.856 110.653 108.800 -0.005 0.000 3.409 285 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.686 285 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.686 285 G C -0.238 174.662 174.900 -0.001 0.000 1.017 285 G CA -0.906 44.193 45.100 -0.002 0.000 0.854 285 G HN 0.543 nan 8.290 nan 0.000 0.508 286 T N 2.337 116.891 114.554 0.000 0.000 2.591 286 T HA 0.257 4.607 4.350 -0.000 0.000 0.245 286 T C 0.511 175.212 174.700 0.002 0.000 1.031 286 T CA 1.245 63.346 62.100 0.001 0.000 1.187 286 T CB 0.263 69.132 68.868 0.001 0.000 1.014 286 T HN 0.816 nan 8.240 nan 0.000 0.488 287 K N 1.690 122.092 120.400 0.003 0.000 2.557 287 K HA 0.589 4.909 4.320 -0.000 0.000 0.257 287 K C -0.640 175.964 176.600 0.007 0.000 0.933 287 K CA -0.577 55.713 56.287 0.005 0.000 0.820 287 K CB 1.470 33.974 32.500 0.006 0.000 1.330 287 K HN 0.601 nan 8.250 nan 0.000 0.432 288 A N 3.221 126.046 122.820 0.007 0.000 2.608 288 A HA -0.075 4.245 4.320 -0.000 0.000 0.239 288 A C 1.073 178.663 177.584 0.010 0.000 1.018 288 A CA 0.393 52.434 52.037 0.007 0.000 0.766 288 A CB -0.138 18.866 19.000 0.007 0.000 0.928 288 A HN 0.787 nan 8.150 nan 0.000 0.512 289 L N 3.324 124.552 121.223 0.008 0.000 2.191 289 L HA -0.076 4.264 4.340 -0.000 0.000 0.212 289 L C 2.288 179.166 176.870 0.014 0.000 1.103 289 L CA 2.879 57.725 54.840 0.010 0.000 0.769 289 L CB -0.449 41.612 42.059 0.005 0.000 0.908 289 L HN 0.864 nan 8.230 nan 0.000 0.438 290 T N -3.842 110.718 114.554 0.010 0.000 3.145 290 T HA 0.134 4.484 4.350 -0.000 0.000 0.255 290 T C 0.671 175.378 174.700 0.012 0.000 1.039 290 T CA -0.424 61.681 62.100 0.008 0.000 0.928 290 T CB -0.282 68.587 68.868 0.000 0.000 1.029 290 T HN 0.349 nan 8.240 nan 0.000 0.554 291 E N 1.582 121.792 120.200 0.018 0.000 2.313 291 E HA 0.328 4.678 4.350 -0.000 0.000 0.276 291 E C -0.680 175.941 176.600 0.035 0.000 1.031 291 E CA -0.448 55.965 56.400 0.021 0.000 0.857 291 E CB 1.258 30.969 29.700 0.018 0.000 1.040 291 E HN 0.062 nan 8.360 nan 0.000 0.408 292 V N 5.957 125.892 119.914 0.034 0.000 2.614 292 V HA 0.147 4.267 4.120 -0.000 0.000 0.291 292 V C 0.387 176.516 176.094 0.058 0.000 1.049 292 V CA 0.189 62.521 62.300 0.054 0.000 1.038 292 V CB 0.723 32.571 31.823 0.040 0.000 0.980 292 V HN 0.557 nan 8.190 nan 0.000 0.481 293 I N 6.888 127.509 120.570 0.087 0.000 2.410 293 I HA 0.359 4.529 4.170 -0.000 0.000 0.286 293 I C -2.410 173.755 176.117 0.080 0.000 1.009 293 I CA -1.906 59.434 61.300 0.065 0.000 1.111 293 I CB 2.216 40.247 38.000 0.052 0.000 1.262 293 I HN 0.464 nan 8.210 nan 0.000 0.443 294 P HA 0.166 nan 4.420 nan 0.000 0.271 294 P C -0.681 176.635 177.300 0.027 0.000 1.220 294 P CA -0.415 62.718 63.100 0.055 0.000 0.768 294 P CB 0.507 32.227 31.700 0.035 0.000 0.848 295 L N 3.119 124.357 121.223 0.026 0.000 2.397 295 L HA 0.281 4.621 4.340 -0.000 0.000 0.271 295 L C 1.248 178.102 176.870 -0.027 0.000 1.148 295 L CA 0.535 55.353 54.840 -0.037 0.000 0.825 295 L CB 0.130 42.143 42.059 -0.077 0.000 1.117 295 L HN 0.458 nan 8.230 nan 0.000 0.456 296 T N -1.423 113.105 114.554 -0.044 0.000 2.881 296 T HA 0.255 4.605 4.350 -0.000 0.000 0.278 296 T C 0.980 175.657 174.700 -0.038 0.000 0.982 296 T CA -0.706 61.374 62.100 -0.034 0.000 0.989 296 T CB 1.006 69.853 68.868 -0.037 0.000 1.058 296 T HN 0.533 nan 8.240 nan 0.000 0.529 297 E N 0.697 120.880 120.200 -0.030 0.000 2.058 297 E HA -0.175 4.175 4.350 -0.000 0.000 0.194 297 E C 1.969 178.545 176.600 -0.041 0.000 0.997 297 E CA 1.693 58.075 56.400 -0.030 0.000 0.801 297 E CB -0.215 29.471 29.700 -0.024 0.000 0.746 297 E HN 0.750 nan 8.360 nan 0.000 0.450 298 E N 0.648 120.822 120.200 -0.044 0.000 2.085 298 E HA -0.150 4.200 4.350 -0.000 0.000 0.194 298 E C 1.890 178.450 176.600 -0.066 0.000 0.994 298 E CA 1.325 57.694 56.400 -0.052 0.000 0.801 298 E CB -0.418 29.252 29.700 -0.050 0.000 0.743 298 E HN 0.289 nan 8.360 nan 0.000 0.453 299 A N 1.092 123.866 122.820 -0.077 0.000 1.969 299 A HA -0.175 4.145 4.320 -0.000 0.000 0.218 299 A C 1.981 179.495 177.584 -0.116 0.000 1.169 299 A CA 1.206 53.178 52.037 -0.109 0.000 0.635 299 A CB -0.271 18.653 19.000 -0.128 0.000 0.810 299 A HN 0.056 nan 8.150 nan 0.000 0.445 300 E N -0.170 119.978 120.200 -0.086 0.000 2.051 300 E HA -0.157 4.193 4.350 -0.000 0.000 0.192 300 E C 1.928 178.493 176.600 -0.059 0.000 0.991 300 E CA 1.002 57.361 56.400 -0.068 0.000 0.799 300 E CB -0.377 29.301 29.700 -0.037 0.000 0.748 300 E HN 0.457 nan 8.360 nan 0.000 0.449 301 L N 1.183 122.373 121.223 -0.054 0.000 2.056 301 L HA -0.123 4.217 4.340 -0.000 0.000 0.207 301 L C 2.355 179.191 176.870 -0.057 0.000 1.078 301 L CA 1.471 56.283 54.840 -0.047 0.000 0.749 301 L CB -0.972 41.062 42.059 -0.043 0.000 0.901 301 L HN 0.158 nan 8.230 nan 0.000 0.433 302 E N -0.390 119.768 120.200 -0.070 0.000 2.051 302 E HA -0.263 4.088 4.350 -0.000 0.000 0.192 302 E C 2.211 178.759 176.600 -0.086 0.000 0.991 302 E CA 1.104 57.458 56.400 -0.077 0.000 0.799 302 E CB -0.148 29.499 29.700 -0.088 0.000 0.748 302 E HN 0.238 nan 8.360 nan 0.000 0.449 303 L N 0.649 121.807 121.223 -0.109 0.000 2.127 303 L HA -0.124 4.216 4.340 -0.000 0.000 0.211 303 L C 2.062 178.889 176.870 -0.072 0.000 1.089 303 L CA 2.072 56.841 54.840 -0.119 0.000 0.757 303 L CB -0.688 41.267 42.059 -0.173 0.000 0.899 303 L HN 0.172 nan 8.230 nan 0.000 0.434 304 A N -0.914 121.873 122.820 -0.056 0.000 1.841 304 A HA -0.200 4.120 4.320 -0.000 0.000 0.214 304 A C 2.200 179.761 177.584 -0.037 0.000 1.195 304 A CA 1.566 53.582 52.037 -0.035 0.000 0.611 304 A CB -0.728 18.255 19.000 -0.028 0.000 0.835 304 A HN 0.520 nan 8.150 nan 0.000 0.443 305 E N -0.118 120.057 120.200 -0.042 0.000 2.086 305 E HA -0.244 4.106 4.350 -0.000 0.000 0.200 305 E C 1.902 178.476 176.600 -0.042 0.000 1.012 305 E CA 1.435 57.811 56.400 -0.039 0.000 0.812 305 E CB -0.254 29.420 29.700 -0.043 0.000 0.743 305 E HN 0.537 nan 8.360 nan 0.000 0.453 306 N N 0.550 119.218 118.700 -0.053 0.000 2.069 306 N HA -0.157 4.583 4.740 -0.000 0.000 0.191 306 N C 1.760 177.229 175.510 -0.068 0.000 1.031 306 N CA 0.896 53.908 53.050 -0.063 0.000 0.852 306 N CB -0.320 38.123 38.487 -0.073 0.000 1.018 306 N HN 0.157 nan 8.380 nan 0.000 0.423 307 R N 0.814 121.282 120.500 -0.053 0.000 2.091 307 R HA -0.160 4.180 4.340 -0.000 0.000 0.238 307 R C 1.993 178.267 176.300 -0.042 0.000 1.136 307 R CA 1.185 57.258 56.100 -0.044 0.000 0.959 307 R CB -0.286 30.002 30.300 -0.019 0.000 0.856 307 R HN 0.307 nan 8.270 nan 0.000 0.437 308 E N 1.207 121.387 120.200 -0.032 0.000 2.038 308 E HA -0.169 4.181 4.350 -0.000 0.000 0.195 308 E C 1.866 178.454 176.600 -0.019 0.000 1.000 308 E CA 1.453 57.840 56.400 -0.022 0.000 0.803 308 E CB -0.310 29.378 29.700 -0.020 0.000 0.750 308 E HN 0.287 nan 8.360 nan 0.000 0.448 309 I N 0.273 120.829 120.570 -0.024 0.000 2.264 309 I HA -0.270 3.900 4.170 -0.000 0.000 0.248 309 I C 2.162 178.266 176.117 -0.020 0.000 1.111 309 I CA 1.022 62.322 61.300 0.001 0.000 1.382 309 I CB -0.249 37.752 38.000 0.001 0.000 1.060 309 I HN 0.194 nan 8.210 nan 0.000 0.418 310 L N 0.849 121.992 121.223 -0.133 0.000 2.478 310 L HA -0.110 4.230 4.340 -0.000 0.000 0.223 310 L C 2.557 179.359 176.870 -0.114 0.000 1.140 310 L CA 0.514 55.193 54.840 -0.270 0.000 0.842 310 L CB -0.544 41.332 42.059 -0.305 0.000 0.953 310 L HN 0.336 nan 8.230 nan 0.000 0.452 311 K N 1.863 122.240 120.400 -0.038 0.000 2.032 311 K HA -0.169 4.151 4.320 -0.000 0.000 0.209 311 K C 0.476 177.095 176.600 0.032 0.000 1.048 311 K CA 1.099 57.384 56.287 -0.004 0.000 0.927 311 K CB -0.392 32.108 32.500 0.001 0.000 0.712 311 K HN 0.426 nan 8.250 nan 0.000 0.441 312 E N 2.376 122.612 120.200 0.060 0.000 2.146 312 E HA 0.313 4.663 4.350 -0.000 0.000 0.282 312 E C -2.541 174.149 176.600 0.150 0.000 0.989 312 E CA -2.861 53.587 56.400 0.081 0.000 0.799 312 E CB 0.893 30.625 29.700 0.054 0.000 1.088 312 E HN 0.015 nan 8.360 nan 0.000 0.397 313 P HA -0.074 nan 4.420 nan 0.000 0.262 313 P C -0.960 176.374 177.300 0.056 0.000 1.182 313 P CA 0.079 63.271 63.100 0.154 0.000 0.761 313 P CB 0.562 32.347 31.700 0.142 0.000 0.795 314 V N 4.480 124.288 119.914 -0.177 0.000 2.628 314 V HA 0.399 4.519 4.120 -0.000 0.000 0.306 314 V C -0.196 175.542 176.094 -0.594 0.000 1.045 314 V CA -0.477 61.577 62.300 -0.410 0.000 0.905 314 V CB 1.733 33.080 31.823 -0.793 0.000 0.997 314 V HN 0.580 nan 8.190 nan 0.000 0.436 315 H N 0.757 119.568 119.070 -0.431 0.000 2.797 315 H HA 0.767 5.323 4.556 -0.000 0.000 0.372 315 H C 0.310 175.257 175.328 -0.634 0.000 1.168 315 H CA 0.095 55.834 56.048 -0.516 0.000 1.163 315 H CB 2.032 31.577 29.762 -0.363 0.000 1.778 315 H HN 0.918 nan 8.280 nan 0.000 0.551 316 G N 0.382 108.630 108.800 -0.921 0.000 2.441 316 G HA2 0.508 4.468 3.960 -0.000 0.000 0.334 316 G HA3 0.508 4.468 3.960 -0.000 0.000 0.334 316 G C -0.866 173.712 174.900 -0.535 0.000 1.161 316 G CA -0.468 44.109 45.100 -0.873 0.000 0.935 316 G HN 0.466 nan 8.290 nan 0.000 0.488 317 V N 0.297 120.136 119.914 -0.125 0.000 2.973 317 V HA 0.402 4.522 4.120 -0.000 0.000 0.314 317 V C -0.530 175.639 176.094 0.125 0.000 1.066 317 V CA -0.523 61.769 62.300 -0.015 0.000 1.021 317 V CB 1.377 33.227 31.823 0.045 0.000 1.076 317 V HN 0.637 nan 8.190 nan 0.000 0.462 318 Y N 0.568 121.051 120.300 0.306 0.000 2.374 318 Y HA 0.362 4.912 4.550 -0.000 0.000 0.322 318 Y C -0.093 175.978 175.900 0.285 0.000 1.275 318 Y CA -0.326 57.957 58.100 0.305 0.000 1.307 318 Y CB 0.743 39.334 38.460 0.218 0.000 1.282 318 Y HN 0.574 nan 8.280 nan 0.000 0.509 319 Y N 2.255 122.770 120.300 0.358 0.000 2.425 319 Y HA 0.088 4.638 4.550 -0.000 0.000 0.331 319 Y C -0.326 175.655 175.900 0.135 0.000 1.157 319 Y CA -0.807 57.427 58.100 0.223 0.000 1.372 319 Y CB 0.394 39.052 38.460 0.331 0.000 1.253 319 Y HN 0.482 nan 8.280 nan 0.000 0.536 320 D N 8.393 128.592 120.400 -0.334 0.000 2.464 320 D HA 0.309 4.949 4.640 -0.000 0.000 0.243 320 D C -2.188 173.607 176.300 -0.842 0.000 1.104 320 D CA -2.538 51.204 54.000 -0.430 0.000 0.883 320 D CB 1.714 42.410 40.800 -0.175 0.000 1.050 320 D HN 0.306 nan 8.370 nan 0.000 0.524 321 P HA -0.186 nan 4.420 nan 0.000 0.218 321 P C 1.259 178.376 177.300 -0.305 0.000 1.146 321 P CA 1.171 63.834 63.100 -0.728 0.000 0.820 321 P CB 0.198 31.699 31.700 -0.331 0.000 0.778 322 S N -2.494 113.063 115.700 -0.237 0.000 2.522 322 S HA 0.022 4.492 4.470 -0.000 0.000 0.227 322 S C 0.827 175.366 174.600 -0.101 0.000 0.986 322 S CA 0.325 58.449 58.200 -0.128 0.000 0.929 322 S CB -0.518 62.621 63.200 -0.101 0.000 0.769 322 S HN 0.099 nan 8.310 nan 0.000 0.529 323 K N 0.854 121.181 120.400 -0.121 0.000 2.238 323 K HA 0.475 4.795 4.320 -0.000 0.000 0.239 323 K C -1.189 175.376 176.600 -0.059 0.000 0.987 323 K CA -0.917 55.322 56.287 -0.080 0.000 0.857 323 K CB 0.627 33.081 32.500 -0.076 0.000 1.154 323 K HN 0.060 nan 8.250 nan 0.000 0.439 324 D N 0.706 121.067 120.400 -0.066 0.000 2.383 324 D HA 0.240 4.880 4.640 -0.000 0.000 0.248 324 D C -0.364 175.845 176.300 -0.152 0.000 1.170 324 D CA -0.248 53.698 54.000 -0.090 0.000 0.977 324 D CB 0.603 41.346 40.800 -0.095 0.000 1.120 324 D HN 0.018 nan 8.370 nan 0.000 0.481 325 L N 1.307 122.386 121.223 -0.241 0.000 2.309 325 L HA 0.421 4.761 4.340 -0.000 0.000 0.282 325 L C -0.207 176.411 176.870 -0.420 0.000 1.036 325 L CA -0.565 54.036 54.840 -0.399 0.000 0.806 325 L CB 0.944 42.660 42.059 -0.573 0.000 1.220 325 L HN 0.225 nan 8.230 nan 0.000 0.429 326 I N 2.424 122.678 120.570 -0.527 0.000 2.418 326 I HA 0.559 4.729 4.170 -0.000 0.000 0.287 326 I C 0.179 175.851 176.117 -0.742 0.000 1.008 326 I CA -0.676 60.258 61.300 -0.610 0.000 1.104 326 I CB 1.558 39.168 38.000 -0.651 0.000 1.264 326 I HN 0.614 nan 8.210 nan 0.000 0.438 327 A N 6.345 128.803 122.820 -0.604 0.000 2.318 327 A HA 0.750 5.070 4.320 -0.000 0.000 0.324 327 A C -0.323 177.150 177.584 -0.185 0.000 1.170 327 A CA -0.556 51.224 52.037 -0.429 0.000 0.810 327 A CB 1.182 19.851 19.000 -0.550 0.000 1.198 327 A HN 0.723 nan 8.150 nan 0.000 0.484 328 E N 1.485 121.667 120.200 -0.031 0.000 2.212 328 E HA 0.581 4.931 4.350 -0.000 0.000 0.268 328 E C -1.290 175.415 176.600 0.174 0.000 0.902 328 E CA -0.439 56.014 56.400 0.088 0.000 0.779 328 E CB 2.284 32.062 29.700 0.131 0.000 1.172 328 E HN 0.610 nan 8.360 nan 0.000 0.409 329 I N 2.668 123.340 120.570 0.169 0.000 2.418 329 I HA 0.225 4.395 4.170 -0.000 0.000 0.287 329 I C -0.666 175.586 176.117 0.226 0.000 1.008 329 I CA -0.831 60.605 61.300 0.226 0.000 1.104 329 I CB 1.634 39.731 38.000 0.161 0.000 1.264 329 I HN 0.311 nan 8.210 nan 0.000 0.438 330 Q N 4.868 124.805 119.800 0.229 0.000 2.266 330 Q HA 0.450 4.790 4.340 -0.000 0.000 0.261 330 Q C -0.591 175.492 176.000 0.138 0.000 0.985 330 Q CA -0.701 55.192 55.803 0.150 0.000 0.873 330 Q CB 2.293 31.072 28.738 0.067 0.000 1.306 330 Q HN 0.369 nan 8.270 nan 0.000 0.447 331 K N 1.814 122.200 120.400 -0.022 0.000 2.156 331 K HA 0.322 4.642 4.320 -0.000 0.000 0.271 331 K C -1.180 175.246 176.600 -0.290 0.000 0.995 331 K CA -0.397 55.649 56.287 -0.401 0.000 0.890 331 K CB 0.674 32.862 32.500 -0.520 0.000 1.073 331 K HN 0.718 nan 8.250 nan 0.000 0.454 332 Q N 2.745 122.330 119.800 -0.359 0.000 2.295 332 Q HA 0.455 4.795 4.340 -0.000 0.000 0.259 332 Q C -0.301 175.553 176.000 -0.244 0.000 0.966 332 Q CA -0.895 54.777 55.803 -0.218 0.000 0.763 332 Q CB 1.548 30.206 28.738 -0.132 0.000 1.283 332 Q HN 0.839 nan 8.270 nan 0.000 0.445 333 G N 2.098 110.781 108.800 -0.196 0.000 2.860 333 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.553 333 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.553 333 G C -0.849 173.919 174.900 -0.221 0.000 1.439 333 G CA -0.802 44.197 45.100 -0.169 0.000 0.879 333 G HN 0.614 nan 8.290 nan 0.000 0.545 334 Q N 0.443 120.151 119.800 -0.153 0.000 2.288 334 Q HA 0.479 4.819 4.340 -0.000 0.000 0.254 334 Q C 1.438 177.369 176.000 -0.116 0.000 0.932 334 Q CA 0.857 56.581 55.803 -0.131 0.000 0.902 334 Q CB 0.925 29.622 28.738 -0.069 0.000 1.203 334 Q HN 2.409 nan 8.270 nan 0.000 0.415 335 G N 2.597 111.351 108.800 -0.077 0.000 2.175 335 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.265 335 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.265 335 G C 0.021 174.921 174.900 -0.000 0.000 0.979 335 G CA 0.420 45.552 45.100 0.054 0.000 0.663 335 G HN 0.540 nan 8.290 nan 0.000 0.533 336 Q N -1.211 118.432 119.800 -0.262 0.000 2.333 336 Q HA 0.606 4.946 4.340 -0.000 0.000 0.267 336 Q C -1.001 174.735 176.000 -0.441 0.000 1.012 336 Q CA -0.743 54.945 55.803 -0.191 0.000 0.824 336 Q CB 1.399 30.048 28.738 -0.148 0.000 1.290 336 Q HN 0.361 nan 8.270 nan 0.000 0.449 337 W N 0.651 122.011 121.300 0.100 0.000 2.819 337 W HA 0.545 5.205 4.660 -0.000 0.000 0.337 337 W C -0.107 176.508 176.519 0.161 0.000 1.077 337 W CA -0.605 56.828 57.345 0.147 0.000 1.226 337 W CB 2.098 31.694 29.460 0.227 0.000 1.419 337 W HN 0.335 nan 8.180 nan 0.000 0.502 338 T N 1.888 116.640 114.554 0.329 0.000 2.907 338 T HA 0.759 5.109 4.350 -0.000 0.000 0.292 338 T C -1.626 173.248 174.700 0.290 0.000 1.043 338 T CA -0.454 61.765 62.100 0.198 0.000 1.003 338 T CB 0.865 69.770 68.868 0.062 0.000 1.084 338 T HN 0.363 nan 8.240 nan 0.000 0.483 339 Y N 0.706 121.082 120.300 0.126 0.000 2.581 339 Y HA 0.809 5.359 4.550 -0.000 0.000 0.337 339 Y C -1.408 174.539 175.900 0.080 0.000 1.108 339 Y CA -1.283 56.880 58.100 0.105 0.000 1.033 339 Y CB 1.161 39.687 38.460 0.109 0.000 1.318 339 Y HN 0.470 nan 8.280 nan 0.000 0.459 340 Q N 2.379 122.318 119.800 0.232 0.000 2.397 340 Q HA 0.733 5.073 4.340 -0.000 0.000 0.275 340 Q C -1.500 174.580 176.000 0.134 0.000 1.090 340 Q CA -0.654 55.243 55.803 0.157 0.000 0.809 340 Q CB 3.353 32.197 28.738 0.176 0.000 1.362 340 Q HN 0.761 nan 8.270 nan 0.000 0.431 341 I N 2.941 123.566 120.570 0.091 0.000 2.439 341 I HA 0.485 4.655 4.170 -0.000 0.000 0.285 341 I C -1.324 174.742 176.117 -0.085 0.000 1.021 341 I CA -0.994 60.239 61.300 -0.113 0.000 1.091 341 I CB 0.816 38.786 38.000 -0.051 0.000 1.242 341 I HN 0.654 nan 8.210 nan 0.000 0.439 342 Y N 3.433 123.677 120.300 -0.095 0.000 2.669 342 Y HA 0.556 5.106 4.550 -0.000 0.000 0.335 342 Y C 0.040 175.853 175.900 -0.145 0.000 1.116 342 Y CA -0.989 57.059 58.100 -0.086 0.000 1.081 342 Y CB 1.054 39.504 38.460 -0.016 0.000 1.297 342 Y HN 0.426 nan 8.280 nan 0.000 0.484 343 Q N -0.220 119.694 119.800 0.189 0.000 2.477 343 Q HA 0.170 4.510 4.340 -0.000 0.000 0.252 343 Q C -0.523 175.545 176.000 0.113 0.000 0.869 343 Q CA 0.171 56.018 55.803 0.073 0.000 0.969 343 Q CB 1.281 30.017 28.738 -0.003 0.000 1.144 343 Q HN 0.763 nan 8.270 nan 0.000 0.577 344 E N 1.893 122.129 120.200 0.061 0.000 2.165 344 E HA 0.257 4.607 4.350 -0.000 0.000 0.266 344 E C -2.585 173.821 176.600 -0.323 0.000 0.889 344 E CA -2.543 53.800 56.400 -0.094 0.000 0.756 344 E CB 1.455 31.098 29.700 -0.096 0.000 1.131 344 E HN -0.199 nan 8.360 nan 0.000 0.411 345 P HA -0.166 nan 4.420 nan 0.000 0.247 345 P C -0.739 175.838 177.300 -1.205 0.000 1.115 345 P CA 1.306 63.592 63.100 -1.357 0.000 0.799 345 P CB -0.430 30.573 31.700 -1.162 0.000 0.721 346 F N 0.047 119.455 119.950 -0.903 0.000 2.656 346 F HA -0.251 4.276 4.527 -0.000 0.000 0.381 346 F C 0.907 176.577 175.800 -0.218 0.000 0.603 346 F CA 0.079 57.816 58.000 -0.438 0.000 1.335 346 F CB -0.971 37.853 39.000 -0.293 0.000 1.836 346 F HN 0.272 nan 8.300 nan 0.000 0.290 347 K N 2.454 122.820 120.400 -0.058 0.000 2.184 347 K HA 0.243 4.563 4.320 -0.000 0.000 0.259 347 K C -0.159 176.482 176.600 0.067 0.000 1.119 347 K CA -0.156 56.126 56.287 -0.009 0.000 0.991 347 K CB 0.055 32.536 32.500 -0.032 0.000 1.522 347 K HN 0.079 nan 8.250 nan 0.000 0.405 348 N N 2.572 121.322 118.700 0.082 0.000 2.454 348 N HA 0.008 4.748 4.740 -0.000 0.000 0.260 348 N C 1.356 176.935 175.510 0.114 0.000 1.218 348 N CA 0.065 53.194 53.050 0.132 0.000 0.904 348 N CB 0.890 39.425 38.487 0.079 0.000 1.065 348 N HN 0.313 nan 8.380 nan 0.000 0.462 349 L N 1.314 122.642 121.223 0.175 0.000 2.049 349 L HA 0.061 4.401 4.340 -0.000 0.000 0.203 349 L C 1.147 178.273 176.870 0.428 0.000 1.074 349 L CA 1.085 56.096 54.840 0.285 0.000 0.749 349 L CB 0.036 42.226 42.059 0.219 0.000 0.907 349 L HN 0.516 nan 8.230 nan 0.000 0.439 350 K N -1.859 118.734 120.400 0.322 0.000 2.522 350 K HA 0.423 4.743 4.320 -0.000 0.000 0.275 350 K C -1.287 175.406 176.600 0.156 0.000 1.006 350 K CA -0.551 55.922 56.287 0.311 0.000 0.890 350 K CB 2.453 35.102 32.500 0.249 0.000 1.475 350 K HN -0.277 nan 8.250 nan 0.000 0.441 351 T N -0.553 114.036 114.554 0.058 0.000 2.865 351 T HA 0.815 5.165 4.350 -0.000 0.000 0.294 351 T C -1.086 173.399 174.700 -0.358 0.000 1.119 351 T CA -0.292 61.727 62.100 -0.134 0.000 1.007 351 T CB 1.826 70.634 68.868 -0.099 0.000 1.225 351 T HN 0.818 nan 8.240 nan 0.000 0.515 352 G N 0.749 109.060 108.800 -0.815 0.000 2.488 352 G HA2 0.670 4.630 3.960 -0.000 0.000 0.301 352 G HA3 0.670 4.630 3.960 -0.000 0.000 0.301 352 G C -2.284 172.196 174.900 -0.701 0.000 1.339 352 G CA -0.924 43.656 45.100 -0.866 0.000 0.803 352 G HN 0.820 nan 8.290 nan 0.000 0.482 353 K N -1.386 118.947 120.400 -0.112 0.000 2.562 353 K HA 0.653 4.973 4.320 -0.000 0.000 0.267 353 K C -2.284 174.544 176.600 0.380 0.000 0.938 353 K CA -1.078 55.306 56.287 0.162 0.000 0.840 353 K CB 2.541 35.083 32.500 0.070 0.000 1.390 353 K HN 0.693 nan 8.250 nan 0.000 0.428 354 Y N 0.847 121.334 120.300 0.311 0.000 2.425 354 Y HA 0.638 5.188 4.550 -0.000 0.000 0.344 354 Y C -0.570 175.505 175.900 0.291 0.000 0.969 354 Y CA -0.143 58.113 58.100 0.260 0.000 1.052 354 Y CB 2.395 40.974 38.460 0.198 0.000 1.215 354 Y HN 0.891 nan 8.280 nan 0.000 0.451 355 A N 4.867 127.366 122.820 -0.534 0.000 2.644 355 A HA 0.225 4.545 4.320 -0.000 0.000 0.193 355 A C 0.411 177.735 177.584 -0.433 0.000 1.464 355 A CA -0.467 51.390 52.037 -0.301 0.000 1.095 355 A CB -0.032 18.904 19.000 -0.107 0.000 1.405 355 A HN 0.666 nan 8.150 nan 0.000 0.558 356 R N 1.375 121.446 120.500 -0.715 0.000 2.478 356 R HA -0.035 4.305 4.340 -0.000 0.000 0.281 356 R C 1.468 177.661 176.300 -0.178 0.000 0.939 356 R CA 0.757 56.641 56.100 -0.360 0.000 1.120 356 R CB 0.205 30.355 30.300 -0.249 0.000 0.885 356 R HN 0.673 nan 8.270 nan 0.000 0.415 357 M N 3.379 122.941 119.600 -0.065 0.000 2.074 357 M HA -0.068 4.412 4.480 -0.000 0.000 0.259 357 M C 0.656 176.977 176.300 0.036 0.000 1.079 357 M CA 1.254 56.552 55.300 -0.003 0.000 1.119 357 M CB -0.216 32.379 32.600 -0.008 0.000 1.297 357 M HN 0.647 nan 8.290 nan 0.000 0.416 358 R N 1.798 122.320 120.500 0.036 0.000 2.650 358 R HA -0.002 4.338 4.340 -0.000 0.000 0.315 358 R C -0.251 176.086 176.300 0.062 0.000 0.986 358 R CA 0.542 56.679 56.100 0.063 0.000 0.744 358 R CB -1.585 28.776 30.300 0.102 0.000 2.072 358 R HN 1.424 nan 8.270 nan 0.000 0.477 359 G N 0.394 109.218 108.800 0.040 0.000 2.525 359 G HA2 0.236 4.196 3.960 -0.000 0.000 0.685 359 G HA3 0.236 4.196 3.960 -0.000 0.000 0.685 359 G C 0.237 175.101 174.900 -0.060 0.000 1.290 359 G CA -0.242 44.874 45.100 0.026 0.000 0.915 359 G HN 1.100 nan 8.290 nan 0.000 0.548 360 A N -0.769 121.933 122.820 -0.195 0.000 2.063 360 A HA 0.574 4.894 4.320 -0.000 0.000 0.211 360 A C 0.797 178.027 177.584 -0.591 0.000 1.177 360 A CA 1.853 53.623 52.037 -0.446 0.000 0.759 360 A CB 0.041 18.651 19.000 -0.649 0.000 0.857 360 A HN 1.293 nan 8.150 nan 0.000 0.468 361 H N -1.646 117.475 119.070 0.084 0.000 2.689 361 H HA 0.673 5.229 4.556 -0.000 0.000 0.346 361 H C -0.453 174.929 175.328 0.089 0.000 1.037 361 H CA -0.024 56.072 56.048 0.081 0.000 1.234 361 H CB 1.745 31.554 29.762 0.079 0.000 1.572 361 H HN 0.086 nan 8.280 nan 0.000 0.524 362 T N 1.560 116.212 114.554 0.162 0.000 2.762 362 T HA 0.454 4.804 4.350 -0.000 0.000 0.301 362 T C -1.470 173.261 174.700 0.051 0.000 1.299 362 T CA -0.958 61.201 62.100 0.097 0.000 1.005 362 T CB 1.311 70.222 68.868 0.072 0.000 1.377 362 T HN 0.901 nan 8.240 nan 0.000 0.504 363 N N 0.047 118.715 118.700 -0.054 0.000 2.405 363 N HA 0.448 5.188 4.740 -0.000 0.000 0.285 363 N C -0.113 175.330 175.510 -0.111 0.000 1.262 363 N CA -0.654 52.343 53.050 -0.090 0.000 0.773 363 N CB 0.683 39.028 38.487 -0.237 0.000 1.490 363 N HN 0.371 nan 8.380 nan 0.000 0.486 364 D N -0.365 120.030 120.400 -0.008 0.000 2.228 364 D HA -0.110 4.530 4.640 -0.000 0.000 0.203 364 D C 1.458 177.686 176.300 -0.121 0.000 0.988 364 D CA 1.036 55.107 54.000 0.118 0.000 0.864 364 D CB 0.001 40.935 40.800 0.224 0.000 0.928 364 D HN 0.390 nan 8.370 nan 0.000 0.469 365 V N 0.163 119.833 119.914 -0.406 0.000 2.453 365 V HA -0.164 3.956 4.120 -0.000 0.000 0.247 365 V C 2.214 177.961 176.094 -0.578 0.000 1.048 365 V CA 1.297 63.252 62.300 -0.576 0.000 1.049 365 V CB -0.257 30.968 31.823 -0.997 0.000 0.672 365 V HN 0.143 nan 8.190 nan 0.000 0.457 366 K N -0.277 119.751 120.400 -0.619 0.000 2.057 366 K HA -0.201 4.119 4.320 -0.000 0.000 0.206 366 K C 2.348 178.790 176.600 -0.264 0.000 1.050 366 K CA 1.525 57.588 56.287 -0.373 0.000 0.935 366 K CB -0.172 32.168 32.500 -0.267 0.000 0.715 366 K HN 0.446 nan 8.250 nan 0.000 0.439 367 Q N 0.433 120.095 119.800 -0.230 0.000 2.084 367 Q HA -0.168 4.172 4.340 -0.000 0.000 0.202 367 Q C 2.123 177.714 176.000 -0.682 0.000 0.978 367 Q CA 1.111 56.781 55.803 -0.223 0.000 0.844 367 Q CB -0.042 28.745 28.738 0.081 0.000 0.898 367 Q HN 0.168 nan 8.270 nan 0.000 0.426 368 L N 0.095 120.819 121.223 -0.832 0.000 2.046 368 L HA -0.159 4.181 4.340 -0.000 0.000 0.208 368 L C 2.053 178.480 176.870 -0.738 0.000 1.077 368 L CA 1.941 56.166 54.840 -1.025 0.000 0.747 368 L CB -0.725 40.901 42.059 -0.722 0.000 0.896 368 L HN 0.108 nan 8.230 nan 0.000 0.432 369 T N -0.702 113.555 114.554 -0.496 0.000 2.833 369 T HA -0.171 4.179 4.350 -0.000 0.000 0.269 369 T C 1.696 176.131 174.700 -0.441 0.000 1.054 369 T CA 1.658 63.525 62.100 -0.388 0.000 1.135 369 T CB -0.175 68.638 68.868 -0.092 0.000 0.869 369 T HN 0.443 nan 8.240 nan 0.000 0.466 370 E N 0.984 120.909 120.200 -0.457 0.000 2.047 370 E HA 0.001 4.351 4.350 -0.000 0.000 0.191 370 E C 2.548 178.635 176.600 -0.855 0.000 0.987 370 E CA 0.970 57.074 56.400 -0.494 0.000 0.799 370 E CB -0.256 29.254 29.700 -0.317 0.000 0.752 370 E HN 0.454 nan 8.360 nan 0.000 0.449 371 A N 0.721 122.823 122.820 -1.196 0.000 1.883 371 A HA -0.192 4.128 4.320 -0.000 0.000 0.217 371 A C 2.486 179.625 177.584 -0.743 0.000 1.186 371 A CA 1.426 52.757 52.037 -1.177 0.000 0.624 371 A CB -0.861 17.593 19.000 -0.910 0.000 0.822 371 A HN 0.151 nan 8.150 nan 0.000 0.444 372 V N -0.123 119.346 119.914 -0.741 0.000 2.332 372 V HA -0.288 3.832 4.120 -0.000 0.000 0.248 372 V C 2.814 178.583 176.094 -0.542 0.000 1.055 372 V CA 2.207 64.019 62.300 -0.812 0.000 1.038 372 V CB -0.686 30.485 31.823 -1.088 0.000 0.651 372 V HN 0.553 nan 8.190 nan 0.000 0.450 373 Q N -0.183 119.346 119.800 -0.453 0.000 2.050 373 Q HA -0.181 4.159 4.340 -0.000 0.000 0.202 373 Q C 2.412 178.283 176.000 -0.215 0.000 0.980 373 Q CA 1.521 57.157 55.803 -0.278 0.000 0.840 373 Q CB -0.354 28.251 28.738 -0.221 0.000 0.898 373 Q HN 0.503 nan 8.270 nan 0.000 0.424 374 K N 0.455 120.689 120.400 -0.277 0.000 2.020 374 K HA -0.118 4.202 4.320 -0.000 0.000 0.212 374 K C 2.277 178.780 176.600 -0.161 0.000 1.050 374 K CA 1.105 57.285 56.287 -0.179 0.000 0.929 374 K CB -0.623 31.771 32.500 -0.176 0.000 0.714 374 K HN 0.274 nan 8.250 nan 0.000 0.443 375 I N 0.963 121.383 120.570 -0.250 0.000 2.264 375 I HA -0.271 3.899 4.170 -0.000 0.000 0.248 375 I C 2.231 178.338 176.117 -0.016 0.000 1.111 375 I CA 1.314 62.496 61.300 -0.197 0.000 1.382 375 I CB -0.511 37.339 38.000 -0.251 0.000 1.060 375 I HN 0.167 nan 8.210 nan 0.000 0.418 376 T N -0.137 114.437 114.554 0.034 0.000 2.708 376 T HA -0.162 4.188 4.350 -0.000 0.000 0.266 376 T C 1.941 176.651 174.700 0.017 0.000 1.037 376 T CA 2.039 64.182 62.100 0.072 0.000 1.146 376 T CB -0.340 68.553 68.868 0.041 0.000 0.865 376 T HN 0.361 nan 8.240 nan 0.000 0.435 377 T N 1.549 116.092 114.554 -0.019 0.000 2.708 377 T HA -0.113 4.237 4.350 -0.000 0.000 0.266 377 T C 1.943 176.620 174.700 -0.038 0.000 1.037 377 T CA 1.484 63.572 62.100 -0.020 0.000 1.146 377 T CB -0.306 68.548 68.868 -0.022 0.000 0.865 377 T HN 0.564 nan 8.240 nan 0.000 0.435 378 E N 0.713 120.882 120.200 -0.052 0.000 2.097 378 E HA -0.163 4.187 4.350 -0.000 0.000 0.196 378 E C 2.273 178.780 176.600 -0.155 0.000 1.000 378 E CA 1.406 57.748 56.400 -0.096 0.000 0.804 378 E CB -0.122 29.537 29.700 -0.069 0.000 0.740 378 E HN 0.325 nan 8.360 nan 0.000 0.454 379 S N 0.350 116.033 115.700 -0.027 0.000 2.368 379 S HA -0.114 4.356 4.470 -0.000 0.000 0.225 379 S C 1.933 176.549 174.600 0.026 0.000 1.030 379 S CA 1.095 59.364 58.200 0.116 0.000 0.999 379 S CB -0.205 63.137 63.200 0.237 0.000 0.844 379 S HN 0.308 nan 8.310 nan 0.000 0.459 380 I N 0.940 121.511 120.570 0.001 0.000 2.179 380 I HA -0.162 4.008 4.170 -0.000 0.000 0.242 380 I C 2.199 178.274 176.117 -0.069 0.000 1.088 380 I CA 0.944 62.241 61.300 -0.005 0.000 1.357 380 I CB -0.488 37.517 38.000 0.008 0.000 1.051 380 I HN 0.150 nan 8.210 nan 0.000 0.409 381 V N 1.259 121.104 119.914 -0.115 0.000 2.295 381 V HA -0.285 3.835 4.120 -0.000 0.000 0.246 381 V C 2.242 178.180 176.094 -0.259 0.000 1.049 381 V CA 2.011 64.223 62.300 -0.146 0.000 1.024 381 V CB -0.330 31.413 31.823 -0.132 0.000 0.648 381 V HN 0.327 nan 8.190 nan 0.000 0.447 382 I N -1.792 118.487 120.570 -0.485 0.000 2.277 382 I HA -0.153 4.017 4.170 -0.000 0.000 0.243 382 I C 2.056 177.658 176.117 -0.858 0.000 1.094 382 I CA 1.459 62.260 61.300 -0.832 0.000 1.393 382 I CB -0.261 36.816 38.000 -1.537 0.000 1.078 382 I HN 0.398 nan 8.210 nan 0.000 0.417 383 W N 0.212 121.349 121.300 -0.271 0.000 2.998 383 W HA 0.378 5.038 4.660 -0.000 0.000 0.336 383 W C 1.455 177.874 176.519 -0.166 0.000 1.112 383 W CA 0.592 57.701 57.345 -0.393 0.000 1.682 383 W CB -0.270 28.804 29.460 -0.643 0.000 1.065 383 W HN 0.327 nan 8.180 nan 0.000 0.570 384 G N 2.434 111.260 108.800 0.044 0.000 2.148 384 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.254 384 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.254 384 G C 0.153 175.106 174.900 0.088 0.000 0.981 384 G CA 0.957 46.094 45.100 0.061 0.000 0.670 384 G HN 0.367 nan 8.290 nan 0.000 0.528 385 K N -1.267 119.199 120.400 0.111 0.000 2.568 385 K HA 0.676 4.996 4.320 -0.000 0.000 0.273 385 K C -0.305 176.336 176.600 0.068 0.000 0.951 385 K CA -0.378 55.959 56.287 0.084 0.000 0.854 385 K CB 1.005 33.554 32.500 0.083 0.000 1.424 385 K HN 0.537 nan 8.250 nan 0.000 0.427 386 T N -0.164 114.409 114.554 0.031 0.000 2.889 386 T HA 0.478 4.828 4.350 -0.000 0.000 0.291 386 T C -1.827 172.805 174.700 -0.114 0.000 0.995 386 T CA -1.211 60.885 62.100 -0.005 0.000 1.092 386 T CB 0.887 69.776 68.868 0.036 0.000 0.954 386 T HN 0.534 nan 8.240 nan 0.000 0.506 387 P HA 0.403 nan 4.420 nan 0.000 0.279 387 P C -1.014 175.975 177.300 -0.519 0.000 1.276 387 P CA -0.900 61.930 63.100 -0.451 0.000 0.801 387 P CB 0.972 32.288 31.700 -0.640 0.000 1.127 388 K N 0.397 120.527 120.400 -0.450 0.000 2.183 388 K HA 0.440 4.760 4.320 -0.000 0.000 0.274 388 K C -0.360 175.998 176.600 -0.404 0.000 1.009 388 K CA -0.344 55.769 56.287 -0.290 0.000 0.888 388 K CB 0.556 32.958 32.500 -0.164 0.000 1.078 388 K HN 0.311 nan 8.250 nan 0.000 0.459 389 F N 1.612 121.504 119.950 -0.097 0.000 2.377 389 F HA 0.336 4.863 4.527 -0.000 0.000 0.328 389 F C 0.608 176.404 175.800 -0.007 0.000 1.094 389 F CA -0.568 57.377 58.000 -0.092 0.000 1.093 389 F CB 1.086 39.996 39.000 -0.150 0.000 1.214 389 F HN 0.124 nan 8.300 nan 0.000 0.518 390 K N 3.659 124.163 120.400 0.173 0.000 2.559 390 K HA 0.527 4.847 4.320 -0.000 0.000 0.249 390 K C -1.437 175.239 176.600 0.127 0.000 0.958 390 K CA -0.394 55.972 56.287 0.132 0.000 0.901 390 K CB 1.545 34.083 32.500 0.063 0.000 1.124 390 K HN 0.481 nan 8.250 nan 0.000 0.437 391 L N 4.054 125.376 121.223 0.164 0.000 2.334 391 L HA 0.465 4.805 4.340 -0.000 0.000 0.276 391 L C -1.935 174.994 176.870 0.099 0.000 1.014 391 L CA -2.198 52.676 54.840 0.056 0.000 0.815 391 L CB 1.808 43.754 42.059 -0.189 0.000 1.268 391 L HN 0.380 nan 8.230 nan 0.000 0.428 392 P HA 0.189 nan 4.420 nan 0.000 0.218 392 P C -0.600 176.871 177.300 0.285 0.000 1.793 392 P CA 0.424 63.598 63.100 0.123 0.000 0.941 392 P CB 0.293 32.060 31.700 0.113 0.000 1.919 393 I N -0.281 120.546 120.570 0.427 0.000 2.802 393 I HA 0.246 4.416 4.170 -0.000 0.000 0.298 393 I C -0.790 175.644 176.117 0.528 0.000 1.176 393 I CA -1.030 60.479 61.300 0.348 0.000 1.025 393 I CB 2.863 40.914 38.000 0.085 0.000 1.243 393 I HN -0.141 nan 8.210 nan 0.000 0.424 394 Q N 5.924 125.859 119.800 0.224 0.000 2.293 394 Q HA 0.234 4.574 4.340 -0.000 0.000 0.251 394 Q C 0.343 176.544 176.000 0.334 0.000 0.930 394 Q CA -0.699 55.130 55.803 0.042 0.000 0.893 394 Q CB 1.333 29.980 28.738 -0.151 0.000 1.215 394 Q HN 0.503 nan 8.270 nan 0.000 0.425 395 K N 2.095 122.658 120.400 0.272 0.000 2.160 395 K HA -0.208 4.112 4.320 -0.000 0.000 0.206 395 K C 1.458 178.262 176.600 0.340 0.000 1.047 395 K CA 1.596 58.083 56.287 0.333 0.000 0.930 395 K CB 0.212 32.719 32.500 0.011 0.000 0.720 395 K HN 0.531 nan 8.250 nan 0.000 0.450 396 E N -0.309 119.997 120.200 0.176 0.000 2.028 396 E HA -0.088 4.262 4.350 -0.000 0.000 0.191 396 E C 2.083 178.777 176.600 0.156 0.000 0.988 396 E CA 1.561 58.043 56.400 0.135 0.000 0.799 396 E CB -0.616 29.111 29.700 0.044 0.000 0.755 396 E HN 0.217 nan 8.360 nan 0.000 0.447 397 T N 0.846 115.483 114.554 0.137 0.000 2.720 397 T HA -0.189 4.161 4.350 -0.000 0.000 0.268 397 T C 1.338 176.144 174.700 0.176 0.000 1.037 397 T CA 1.265 63.425 62.100 0.099 0.000 1.144 397 T CB -0.369 68.526 68.868 0.045 0.000 0.864 397 T HN 0.387 nan 8.240 nan 0.000 0.444 398 W N 2.052 123.450 121.300 0.164 0.000 2.378 398 W HA -0.091 4.569 4.660 -0.000 0.000 0.313 398 W C 2.125 178.856 176.519 0.353 0.000 1.197 398 W CA 1.385 58.862 57.345 0.221 0.000 1.304 398 W CB -0.358 29.259 29.460 0.261 0.000 1.148 398 W HN 0.343 nan 8.180 nan 0.000 0.494 399 E N -0.340 120.075 120.200 0.358 0.000 2.085 399 E HA -0.278 4.072 4.350 -0.000 0.000 0.194 399 E C 2.196 178.884 176.600 0.147 0.000 0.994 399 E CA 2.301 58.931 56.400 0.382 0.000 0.801 399 E CB -0.407 29.534 29.700 0.403 0.000 0.743 399 E HN 0.115 nan 8.360 nan 0.000 0.453 400 T N -0.413 114.183 114.554 0.070 0.000 2.867 400 T HA -0.168 4.182 4.350 -0.000 0.000 0.268 400 T C 1.327 175.971 174.700 -0.094 0.000 1.057 400 T CA 1.257 63.344 62.100 -0.022 0.000 1.136 400 T CB -0.337 68.536 68.868 0.007 0.000 0.874 400 T HN 0.497 nan 8.240 nan 0.000 0.466 401 W N -0.106 121.025 121.300 -0.281 0.000 2.481 401 W HA 0.021 4.681 4.660 -0.000 0.000 0.293 401 W C 1.915 178.181 176.519 -0.423 0.000 1.201 401 W CA 0.618 57.736 57.345 -0.378 0.000 1.328 401 W CB -0.742 28.440 29.460 -0.464 0.000 1.112 401 W HN 0.494 nan 8.180 nan 0.000 0.546 402 W N 3.263 124.186 121.300 -0.628 0.000 2.355 402 W HA -0.248 4.412 4.660 -0.000 0.000 0.309 402 W C 2.573 178.875 176.519 -0.361 0.000 1.206 402 W CA 3.952 60.957 57.345 -0.567 0.000 1.284 402 W CB -0.902 28.294 29.460 -0.440 0.000 1.145 402 W HN -0.123 nan 8.180 nan 0.000 0.502 403 T N -1.015 112.788 114.554 -1.250 0.000 2.684 403 T HA -0.244 4.106 4.350 -0.000 0.000 0.267 403 T C 1.492 175.731 174.700 -0.768 0.000 1.036 403 T CA 1.880 63.161 62.100 -1.364 0.000 1.148 403 T CB -0.736 67.564 68.868 -0.947 0.000 0.863 403 T HN 0.421 nan 8.240 nan 0.000 0.436 404 E N -0.380 119.472 120.200 -0.580 0.000 2.442 404 E HA 0.131 4.481 4.350 -0.000 0.000 0.195 404 E C -0.156 176.189 176.600 -0.423 0.000 1.030 404 E CA -0.291 55.856 56.400 -0.421 0.000 0.869 404 E CB 0.052 29.567 29.700 -0.307 0.000 0.857 404 E HN 0.518 nan 8.360 nan 0.000 0.505 405 Y N 1.409 121.206 120.300 -0.838 0.000 2.346 405 Y HA -0.093 4.457 4.550 -0.000 0.000 0.330 405 Y C 0.953 176.524 175.900 -0.549 0.000 1.178 405 Y CA -1.234 56.322 58.100 -0.906 0.000 1.331 405 Y CB 0.371 37.985 38.460 -1.410 0.000 1.253 405 Y HN 0.112 nan 8.280 nan 0.000 0.529 406 W N 3.454 124.340 121.300 -0.690 0.000 2.467 406 W HA 0.005 4.665 4.660 -0.000 0.000 0.275 406 W C -0.183 176.038 176.519 -0.496 0.000 1.239 406 W CA 0.168 57.207 57.345 -0.510 0.000 1.266 406 W CB -0.342 28.866 29.460 -0.421 0.000 1.112 406 W HN 0.522 nan 8.180 nan 0.000 0.576 407 Q N 1.749 120.501 119.800 -1.747 0.000 2.288 407 Q HA 0.436 4.776 4.340 -0.000 0.000 0.254 407 Q C -0.059 175.682 176.000 -0.432 0.000 0.932 407 Q CA -0.293 54.744 55.803 -1.277 0.000 0.902 407 Q CB 1.345 28.923 28.738 -1.933 0.000 1.203 407 Q HN 0.093 nan 8.270 nan 0.000 0.415 408 A N 3.447 126.188 122.820 -0.132 0.000 2.492 408 A HA 0.326 4.646 4.320 -0.000 0.000 0.254 408 A C -0.511 177.143 177.584 0.117 0.000 1.091 408 A CA 0.112 52.174 52.037 0.042 0.000 0.768 408 A CB 0.289 19.331 19.000 0.070 0.000 1.028 408 A HN 0.710 nan 8.150 nan 0.000 0.498 409 T N 3.273 117.980 114.554 0.255 0.000 2.876 409 T HA 0.569 4.919 4.350 -0.000 0.000 0.289 409 T C -0.698 174.298 174.700 0.494 0.000 1.014 409 T CA -0.349 61.960 62.100 0.347 0.000 0.986 409 T CB 1.166 70.272 68.868 0.397 0.000 1.021 409 T HN 0.807 nan 8.240 nan 0.000 0.458 410 W N 3.823 125.221 121.300 0.163 0.000 2.992 410 W HA 0.814 5.474 4.660 -0.000 0.000 0.342 410 W C -2.157 174.374 176.519 0.020 0.000 1.176 410 W CA -1.230 56.167 57.345 0.087 0.000 1.118 410 W CB 1.395 30.868 29.460 0.021 0.000 1.457 410 W HN 0.629 nan 8.180 nan 0.000 0.573 411 I N 4.620 124.456 120.570 -1.224 0.000 2.735 411 I HA 0.206 4.376 4.170 -0.000 0.000 0.287 411 I C -2.523 172.623 176.117 -1.618 0.000 1.452 411 I CA -1.800 58.748 61.300 -1.253 0.000 1.061 411 I CB 2.554 39.831 38.000 -1.205 0.000 1.383 411 I HN 0.124 nan 8.210 nan 0.000 0.425 412 P HA 0.031 nan 4.420 nan 0.000 0.270 412 P C -0.973 176.207 177.300 -0.200 0.000 1.227 412 P CA -0.062 62.754 63.100 -0.474 0.000 0.788 412 P CB 0.406 32.062 31.700 -0.073 0.000 0.926 413 E N 2.087 122.256 120.200 -0.052 0.000 3.025 413 E HA -0.093 4.257 4.350 -0.000 0.000 0.248 413 E C -0.641 176.032 176.600 0.122 0.000 0.938 413 E CA 0.285 56.688 56.400 0.005 0.000 0.958 413 E CB -0.001 29.700 29.700 0.002 0.000 0.898 413 E HN 0.331 nan 8.360 nan 0.000 0.537 414 W N 3.234 124.443 121.300 -0.152 0.000 3.040 414 W HA 0.647 5.307 4.660 -0.000 0.000 0.344 414 W C -1.094 175.379 176.519 -0.077 0.000 1.201 414 W CA -0.998 56.282 57.345 -0.107 0.000 1.119 414 W CB 0.611 29.946 29.460 -0.207 0.000 1.478 414 W HN 0.397 nan 8.180 nan 0.000 0.586 415 E N 0.522 120.815 120.200 0.154 0.000 2.408 415 E HA 0.385 4.735 4.350 -0.000 0.000 0.275 415 E C -1.800 174.971 176.600 0.284 0.000 0.935 415 E CA -0.941 55.453 56.400 -0.010 0.000 0.775 415 E CB 3.332 33.028 29.700 -0.007 0.000 1.277 415 E HN 0.257 nan 8.360 nan 0.000 0.455 416 F N 1.666 121.662 119.950 0.076 0.000 2.382 416 F HA 0.499 5.026 4.527 -0.000 0.000 0.331 416 F C -0.705 175.171 175.800 0.127 0.000 1.121 416 F CA -0.478 57.635 58.000 0.188 0.000 1.183 416 F CB 1.147 40.223 39.000 0.127 0.000 1.207 416 F HN 0.133 nan 8.300 nan 0.000 0.555 417 V N 6.527 125.775 119.914 -1.110 0.000 2.624 417 V HA 0.243 4.363 4.120 -0.000 0.000 0.294 417 V C -1.035 174.460 176.094 -0.999 0.000 1.077 417 V CA -0.838 60.993 62.300 -0.781 0.000 0.905 417 V CB 1.249 32.921 31.823 -0.252 0.000 1.025 417 V HN 0.867 nan 8.190 nan 0.000 0.440 418 N N 4.647 122.858 118.700 -0.815 0.000 2.670 418 N HA 0.064 4.804 4.740 -0.000 0.000 0.296 418 N C 0.172 175.616 175.510 -0.110 0.000 1.216 418 N CA 0.670 53.539 53.050 -0.301 0.000 1.123 418 N CB 0.320 38.849 38.487 0.069 0.000 1.459 418 N HN 0.905 nan 8.380 nan 0.000 0.509 419 T N 0.333 114.826 114.554 -0.102 0.000 3.250 419 T HA 0.400 4.750 4.350 -0.000 0.000 0.391 419 T C -2.572 172.134 174.700 0.011 0.000 1.502 419 T CA -1.974 60.106 62.100 -0.033 0.000 1.320 419 T CB 1.078 69.926 68.868 -0.034 0.000 1.102 419 T HN 0.073 nan 8.240 nan 0.000 0.610 420 P HA 0.115 nan 4.420 nan 0.000 0.266 420 P C -2.416 174.898 177.300 0.023 0.000 1.180 420 P CA -0.593 62.536 63.100 0.049 0.000 0.765 420 P CB -0.350 31.378 31.700 0.047 0.000 0.806 421 P HA 0.175 nan 4.420 nan 0.000 0.276 421 P C -0.510 176.841 177.300 0.085 0.000 1.243 421 P CA -0.129 63.003 63.100 0.053 0.000 0.768 421 P CB 0.345 32.061 31.700 0.027 0.000 0.856 422 L N 3.390 124.682 121.223 0.115 0.000 2.464 422 L HA 0.166 4.506 4.340 -0.000 0.000 0.264 422 L C 0.177 177.112 176.870 0.107 0.000 1.199 422 L CA 0.015 54.943 54.840 0.147 0.000 0.818 422 L CB 0.640 42.805 42.059 0.177 0.000 1.102 422 L HN 0.136 nan 8.230 nan 0.000 0.473 423 V N 2.758 122.739 119.914 0.111 0.000 2.481 423 V HA 0.548 4.668 4.120 -0.000 0.000 0.286 423 V C -0.051 175.989 176.094 -0.090 0.000 1.042 423 V CA -0.559 61.773 62.300 0.053 0.000 0.928 423 V CB 1.203 33.092 31.823 0.111 0.000 0.986 423 V HN 0.866 nan 8.190 nan 0.000 0.462 424 K N 4.059 124.293 120.400 -0.276 0.000 2.579 424 K HA 0.625 4.945 4.320 -0.000 0.000 0.284 424 K C -1.767 174.429 176.600 -0.673 0.000 0.990 424 K CA -1.069 54.947 56.287 -0.451 0.000 0.880 424 K CB 1.729 33.900 32.500 -0.549 0.000 1.488 424 K HN 0.359 nan 8.250 nan 0.000 0.425 425 L N 1.403 122.309 121.223 -0.528 0.000 2.349 425 L HA 0.269 4.609 4.340 -0.000 0.000 0.275 425 L C 0.082 176.626 176.870 -0.544 0.000 1.115 425 L CA -0.520 54.040 54.840 -0.467 0.000 0.820 425 L CB 0.384 42.288 42.059 -0.259 0.000 1.135 425 L HN 0.676 nan 8.230 nan 0.000 0.445 426 W N 2.958 124.177 121.300 -0.136 0.000 3.256 426 W HA 0.107 4.767 4.660 -0.000 0.000 0.269 426 W C -0.398 176.199 176.519 0.129 0.000 1.310 426 W CA -0.342 57.003 57.345 -0.001 0.000 1.673 426 W CB 0.156 29.656 29.460 0.067 0.000 1.115 426 W HN 0.493 nan 8.180 nan 0.000 0.686 427 Y N -2.202 118.196 120.300 0.163 0.000 2.643 427 Y HA 0.353 4.903 4.550 -0.000 0.000 0.347 427 Y C -1.274 174.676 175.900 0.082 0.000 1.208 427 Y CA -2.037 56.135 58.100 0.120 0.000 1.245 427 Y CB 0.002 38.538 38.460 0.128 0.000 1.369 427 Y HN -0.280 nan 8.280 nan 0.000 0.487 428 Q N 3.327 123.282 119.800 0.257 0.000 2.345 428 Q HA 0.620 4.960 4.340 -0.000 0.000 0.268 428 Q C -1.209 174.924 176.000 0.221 0.000 1.054 428 Q CA -1.008 54.894 55.803 0.164 0.000 0.835 428 Q CB 3.322 32.111 28.738 0.085 0.000 1.339 428 Q HN 0.863 nan 8.270 nan 0.000 0.447 429 L N 2.097 123.425 121.223 0.174 0.000 2.282 429 L HA 0.278 4.618 4.340 -0.000 0.000 0.288 429 L C 0.548 177.484 176.870 0.110 0.000 1.033 429 L CA -0.828 54.094 54.840 0.136 0.000 0.807 429 L CB 0.928 43.046 42.059 0.098 0.000 1.209 429 L HN 0.353 nan 8.230 nan 0.000 0.423 430 E N 2.661 122.947 120.200 0.144 0.000 2.459 430 E HA -0.051 4.299 4.350 -0.000 0.000 0.264 430 E C 0.328 177.070 176.600 0.237 0.000 1.055 430 E CA 0.330 56.839 56.400 0.182 0.000 0.957 430 E CB 0.859 30.693 29.700 0.223 0.000 0.952 430 E HN 0.459 nan 8.360 nan 0.000 0.448 431 K N 0.934 121.445 120.400 0.185 0.000 2.356 431 K HA 0.045 4.365 4.320 -0.000 0.000 0.195 431 K C 0.285 177.049 176.600 0.273 0.000 1.037 431 K CA 0.295 56.694 56.287 0.187 0.000 1.014 431 K CB 0.432 32.981 32.500 0.081 0.000 0.815 431 K HN 0.240 nan 8.250 nan 0.000 0.507 432 E N 0.451 120.743 120.200 0.154 0.000 2.256 432 E HA 0.281 4.631 4.350 -0.000 0.000 0.267 432 E C -2.823 173.476 176.600 -0.500 0.000 0.892 432 E CA -2.785 53.556 56.400 -0.099 0.000 0.775 432 E CB 1.541 31.198 29.700 -0.072 0.000 1.207 432 E HN -0.265 nan 8.360 nan 0.000 0.420 433 P HA 0.066 nan 4.420 nan 0.000 0.265 433 P C -0.529 176.539 177.300 -0.388 0.000 1.193 433 P CA 0.401 62.884 63.100 -1.028 0.000 0.765 433 P CB 0.293 31.594 31.700 -0.666 0.000 0.823 434 I N 2.625 123.065 120.570 -0.217 0.000 2.496 434 I HA 0.088 4.258 4.170 -0.000 0.000 0.285 434 I C 0.334 176.413 176.117 -0.063 0.000 1.080 434 I CA -0.525 60.728 61.300 -0.078 0.000 1.404 434 I CB 0.650 38.648 38.000 -0.002 0.000 1.403 434 I HN 0.020 nan 8.210 nan 0.000 0.539 435 V N 5.270 125.156 119.914 -0.046 0.000 2.509 435 V HA 0.406 4.526 4.120 -0.000 0.000 0.284 435 V C 1.102 177.189 176.094 -0.011 0.000 1.047 435 V CA 0.248 62.529 62.300 -0.031 0.000 0.952 435 V CB 0.889 32.694 31.823 -0.030 0.000 0.988 435 V HN 1.129 nan 8.190 nan 0.000 0.469 436 G N 3.310 112.108 108.800 -0.005 0.000 2.155 436 G HA2 -0.106 3.854 3.960 -0.000 0.000 0.257 436 G HA3 -0.106 3.854 3.960 -0.000 0.000 0.257 436 G C 0.285 175.193 174.900 0.015 0.000 0.983 436 G CA 0.252 45.355 45.100 0.004 0.000 0.676 436 G HN 1.473 nan 8.290 nan 0.000 0.528 437 A N -0.396 122.437 122.820 0.021 0.000 2.312 437 A HA 0.746 5.066 4.320 -0.000 0.000 0.328 437 A C 0.282 177.903 177.584 0.062 0.000 1.158 437 A CA -0.003 52.059 52.037 0.043 0.000 0.821 437 A CB 0.801 19.827 19.000 0.045 0.000 1.170 437 A HN 0.507 nan 8.150 nan 0.000 0.490 438 E N 0.960 121.216 120.200 0.095 0.000 2.324 438 E HA 0.234 4.584 4.350 -0.000 0.000 0.271 438 E C -0.604 176.096 176.600 0.167 0.000 1.028 438 E CA 0.025 56.480 56.400 0.091 0.000 0.890 438 E CB 0.463 30.220 29.700 0.094 0.000 1.004 438 E HN 0.565 nan 8.360 nan 0.000 0.431 439 T N 5.033 119.645 114.554 0.098 0.000 2.780 439 T HA 0.248 4.598 4.350 -0.000 0.000 0.294 439 T C -0.733 174.054 174.700 0.146 0.000 0.949 439 T CA -0.162 62.032 62.100 0.157 0.000 1.074 439 T CB 0.009 68.979 68.868 0.170 0.000 0.910 439 T HN 0.230 nan 8.240 nan 0.000 0.501 440 F N 3.031 122.985 119.950 0.005 0.000 2.388 440 F HA 0.380 4.907 4.527 -0.000 0.000 0.358 440 F C -0.270 175.563 175.800 0.055 0.000 1.122 440 F CA -1.244 56.764 58.000 0.013 0.000 1.056 440 F CB 0.740 39.644 39.000 -0.160 0.000 1.155 440 F HN 0.509 nan 8.300 nan 0.000 0.461 441 Y N 3.591 123.972 120.300 0.135 0.000 2.477 441 Y HA 0.455 5.005 4.550 -0.000 0.000 0.349 441 Y C 0.244 176.244 175.900 0.168 0.000 0.977 441 Y CA -1.047 57.117 58.100 0.108 0.000 1.214 441 Y CB 0.673 39.162 38.460 0.049 0.000 1.124 441 Y HN 0.363 nan 8.280 nan 0.000 0.521 442 V N 0.399 120.458 119.914 0.241 0.000 2.732 442 V HA 0.792 4.912 4.120 -0.000 0.000 0.310 442 V C -0.674 175.505 176.094 0.143 0.000 1.053 442 V CA -0.498 61.944 62.300 0.237 0.000 0.957 442 V CB 2.282 34.229 31.823 0.206 0.000 1.018 442 V HN 0.605 nan 8.190 nan 0.000 0.452 443 D N 0.385 120.861 120.400 0.127 0.000 2.665 443 D HA 0.757 5.397 4.640 -0.000 0.000 0.287 443 D C -0.722 175.623 176.300 0.074 0.000 1.266 443 D CA 0.364 54.408 54.000 0.073 0.000 0.830 443 D CB 2.324 43.150 40.800 0.043 0.000 1.356 443 D HN 1.222 nan 8.370 nan 0.000 0.437 444 G N -0.598 108.237 108.800 0.057 0.000 2.759 444 G HA2 0.717 4.677 3.960 -0.000 0.000 0.297 444 G HA3 0.717 4.677 3.960 -0.000 0.000 0.297 444 G C -1.600 173.334 174.900 0.057 0.000 1.434 444 G CA 0.067 45.204 45.100 0.062 0.000 0.980 444 G HN 0.504 nan 8.290 nan 0.000 0.531 445 A N -0.001 122.852 122.820 0.056 0.000 2.437 445 A HA 1.115 5.435 4.320 -0.000 0.000 0.292 445 A C -0.283 177.331 177.584 0.050 0.000 1.173 445 A CA -0.315 51.759 52.037 0.061 0.000 0.785 445 A CB 1.941 20.979 19.000 0.064 0.000 1.351 445 A HN 2.546 nan 8.150 nan 0.000 0.431 446 A N 0.824 123.672 122.820 0.047 0.000 2.547 446 A HA 0.543 4.863 4.320 -0.000 0.000 0.298 446 A C -1.218 176.384 177.584 0.030 0.000 1.062 446 A CA -0.598 51.460 52.037 0.035 0.000 0.748 446 A CB 0.768 19.788 19.000 0.034 0.000 1.288 446 A HN 0.840 nan 8.150 nan 0.000 0.396 447 N N 1.850 120.563 118.700 0.023 0.000 2.442 447 N HA 0.110 4.850 4.740 -0.000 0.000 0.265 447 N C 1.035 176.554 175.510 0.014 0.000 1.138 447 N CA -0.174 52.886 53.050 0.017 0.000 0.956 447 N CB 0.795 39.290 38.487 0.013 0.000 1.067 447 N HN 0.715 nan 8.380 nan 0.000 0.474 448 R N 2.437 122.944 120.500 0.012 0.000 2.159 448 R HA -0.157 4.183 4.340 -0.000 0.000 0.237 448 R C 0.643 176.947 176.300 0.007 0.000 1.131 448 R CA 1.516 57.622 56.100 0.010 0.000 0.982 448 R CB 0.303 30.608 30.300 0.008 0.000 0.868 448 R HN 0.630 nan 8.270 nan 0.000 0.453 449 E N -1.026 119.178 120.200 0.007 0.000 2.079 449 E HA -0.058 4.292 4.350 -0.000 0.000 0.191 449 E C 1.896 178.500 176.600 0.007 0.000 0.961 449 E CA 1.496 57.899 56.400 0.006 0.000 0.823 449 E CB -0.095 29.607 29.700 0.004 0.000 0.789 449 E HN 0.295 nan 8.360 nan 0.000 0.459 450 T N -1.433 113.125 114.554 0.008 0.000 3.085 450 T HA 0.065 4.415 4.350 -0.000 0.000 0.263 450 T C 0.684 175.390 174.700 0.010 0.000 1.127 450 T CA 0.473 62.578 62.100 0.008 0.000 1.103 450 T CB -0.099 68.774 68.868 0.008 0.000 0.921 450 T HN -0.058 nan 8.240 nan 0.000 0.510 451 K N -0.280 120.127 120.400 0.011 0.000 3.363 451 K HA -0.119 4.201 4.320 -0.000 0.000 0.313 451 K C -0.203 176.406 176.600 0.016 0.000 1.259 451 K CA 0.556 56.851 56.287 0.013 0.000 0.942 451 K CB -2.446 30.061 32.500 0.012 0.000 1.229 451 K HN 0.568 nan 8.250 nan 0.000 0.440 452 L N 0.056 121.288 121.223 0.015 0.000 2.380 452 L HA 0.433 4.773 4.340 -0.000 0.000 0.273 452 L C 1.190 178.072 176.870 0.021 0.000 1.138 452 L CA 0.313 55.163 54.840 0.017 0.000 0.832 452 L CB 1.023 43.090 42.059 0.014 0.000 1.124 452 L HN 0.261 nan 8.230 nan 0.000 0.454 453 G N 2.439 111.254 108.800 0.024 0.000 2.798 453 G HA2 0.716 4.676 3.960 -0.000 0.000 0.286 453 G HA3 0.716 4.676 3.960 -0.000 0.000 0.286 453 G C -1.470 173.446 174.900 0.027 0.000 1.389 453 G CA -0.632 44.486 45.100 0.029 0.000 0.894 453 G HN 0.487 nan 8.290 nan 0.000 0.488 454 K N -0.263 120.156 120.400 0.031 0.000 2.615 454 K HA 0.578 4.898 4.320 -0.000 0.000 0.249 454 K C -1.059 175.561 176.600 0.033 0.000 0.977 454 K CA -0.608 55.693 56.287 0.024 0.000 0.833 454 K CB 2.393 34.902 32.500 0.015 0.000 1.208 454 K HN 0.652 nan 8.250 nan 0.000 0.443 455 A N 2.223 125.065 122.820 0.036 0.000 2.258 455 A HA 0.823 5.143 4.320 -0.000 0.000 0.316 455 A C -0.076 177.526 177.584 0.030 0.000 1.279 455 A CA -0.326 51.744 52.037 0.055 0.000 0.876 455 A CB 1.001 20.050 19.000 0.081 0.000 1.170 455 A HN 0.803 nan 8.150 nan 0.000 0.520 456 G N 0.497 109.316 108.800 0.031 0.000 2.921 456 G HA2 0.757 4.717 3.960 -0.000 0.000 0.291 456 G HA3 0.757 4.717 3.960 -0.000 0.000 0.291 456 G C -1.189 173.752 174.900 0.069 0.000 1.370 456 G CA -0.282 44.787 45.100 -0.052 0.000 0.847 456 G HN 1.530 nan 8.290 nan 0.000 0.532 457 Y N -3.083 117.277 120.300 0.099 0.000 2.689 457 Y HA 0.782 5.332 4.550 -0.000 0.000 0.333 457 Y C -1.406 174.535 175.900 0.068 0.000 1.208 457 Y CA -1.835 56.345 58.100 0.134 0.000 1.055 457 Y CB 1.235 39.853 38.460 0.264 0.000 1.304 457 Y HN 0.637 nan 8.280 nan 0.000 0.455 458 V N 1.724 121.878 119.914 0.400 0.000 2.777 458 V HA 0.647 4.767 4.120 -0.000 0.000 0.306 458 V C -0.239 175.906 176.094 0.086 0.000 1.112 458 V CA -0.058 62.346 62.300 0.175 0.000 0.917 458 V CB 1.702 33.542 31.823 0.029 0.000 1.018 458 V HN 1.218 nan 8.190 nan 0.000 0.426 459 T N 0.100 114.606 114.554 -0.080 0.000 2.922 459 T HA 0.324 4.674 4.350 -0.000 0.000 0.281 459 T C 0.947 175.566 174.700 -0.136 0.000 1.005 459 T CA -0.179 61.789 62.100 -0.220 0.000 0.982 459 T CB 1.449 69.970 68.868 -0.577 0.000 1.158 459 T HN 0.671 nan 8.240 nan 0.000 0.566 460 N N -0.123 118.521 118.700 -0.093 0.000 2.467 460 N HA -0.020 4.720 4.740 -0.000 0.000 0.184 460 N C 0.848 176.315 175.510 -0.073 0.000 1.106 460 N CA 0.270 53.280 53.050 -0.067 0.000 0.892 460 N CB -0.174 38.314 38.487 0.002 0.000 0.969 460 N HN 0.633 nan 8.380 nan 0.000 0.454 461 K N -0.091 120.251 120.400 -0.096 0.000 2.410 461 K HA 0.186 4.505 4.320 -0.000 0.000 0.200 461 K C 0.464 177.024 176.600 -0.068 0.000 1.023 461 K CA 0.291 56.534 56.287 -0.074 0.000 1.149 461 K CB 0.178 32.632 32.500 -0.077 0.000 0.859 461 K HN 0.321 nan 8.250 nan 0.000 0.514 462 G N 2.016 110.771 108.800 -0.076 0.000 2.184 462 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.264 462 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.264 462 G C 0.020 174.895 174.900 -0.042 0.000 0.975 462 G CA 0.012 45.077 45.100 -0.058 0.000 0.642 462 G HN 0.298 nan 8.290 nan 0.000 0.536 463 R N 0.655 121.129 120.500 -0.044 0.000 2.490 463 R HA 0.475 4.815 4.340 -0.000 0.000 0.280 463 R C 0.369 176.713 176.300 0.073 0.000 1.077 463 R CA 0.508 56.621 56.100 0.021 0.000 1.065 463 R CB 0.410 30.737 30.300 0.046 0.000 1.003 463 R HN 0.679 nan 8.270 nan 0.000 0.470 464 Q N 1.533 121.355 119.800 0.038 0.000 2.371 464 Q HA 0.310 4.650 4.340 -0.000 0.000 0.244 464 Q C -1.556 174.308 176.000 -0.227 0.000 0.882 464 Q CA -0.805 54.949 55.803 -0.082 0.000 0.866 464 Q CB 1.863 30.565 28.738 -0.061 0.000 1.399 464 Q HN 0.390 nan 8.270 nan 0.000 0.432 465 K N 1.700 121.749 120.400 -0.586 0.000 2.208 465 K HA 0.749 5.069 4.320 -0.000 0.000 0.247 465 K C -1.314 175.038 176.600 -0.412 0.000 0.953 465 K CA -0.906 55.097 56.287 -0.475 0.000 0.837 465 K CB 2.019 34.197 32.500 -0.538 0.000 1.131 465 K HN 0.496 nan 8.250 nan 0.000 0.431 466 V N 4.169 123.955 119.914 -0.214 0.000 2.637 466 V HA 0.137 4.257 4.120 -0.000 0.000 0.274 466 V C -0.579 175.472 176.094 -0.071 0.000 1.004 466 V CA -1.036 61.185 62.300 -0.131 0.000 0.894 466 V CB 1.087 32.856 31.823 -0.090 0.000 1.046 466 V HN 0.632 nan 8.190 nan 0.000 0.467 467 V N 3.285 123.170 119.914 -0.048 0.000 2.644 467 V HA 0.813 4.933 4.120 -0.000 0.000 0.295 467 V C -2.263 173.833 176.094 0.002 0.000 1.053 467 V CA -1.928 60.364 62.300 -0.014 0.000 0.987 467 V CB 1.741 33.568 31.823 0.007 0.000 1.006 467 V HN 0.629 nan 8.190 nan 0.000 0.472 468 P HA 0.583 nan 4.420 nan 0.000 0.290 468 P C -1.249 176.065 177.300 0.023 0.000 1.275 468 P CA -0.578 62.530 63.100 0.013 0.000 0.841 468 P CB 1.962 33.667 31.700 0.009 0.000 1.042 469 L N 1.445 122.684 121.223 0.026 0.000 2.354 469 L HA 0.647 4.987 4.340 -0.000 0.000 0.264 469 L C 0.471 177.356 176.870 0.025 0.000 1.008 469 L CA -0.643 54.215 54.840 0.031 0.000 0.819 469 L CB 2.404 44.486 42.059 0.039 0.000 1.339 469 L HN 0.418 nan 8.230 nan 0.000 0.420 470 T N -1.882 112.687 114.554 0.025 0.000 2.848 470 T HA 0.419 4.769 4.350 -0.000 0.000 0.285 470 T C -0.302 174.410 174.700 0.020 0.000 0.995 470 T CA -0.719 61.393 62.100 0.020 0.000 0.970 470 T CB 1.271 70.150 68.868 0.017 0.000 0.976 470 T HN 0.613 nan 8.240 nan 0.000 0.441 471 N N 1.256 119.967 118.700 0.018 0.000 2.663 471 N HA -0.137 4.603 4.740 -0.000 0.000 0.263 471 N C -0.225 175.297 175.510 0.019 0.000 1.109 471 N CA 1.481 54.541 53.050 0.016 0.000 0.701 471 N CB -1.434 37.062 38.487 0.015 0.000 0.879 471 N HN 1.199 nan 8.380 nan 0.000 0.550 472 T N -3.560 111.007 114.554 0.021 0.000 2.883 472 T HA 0.709 5.059 4.350 -0.000 0.000 0.296 472 T C 0.637 175.349 174.700 0.021 0.000 1.117 472 T CA -0.379 61.736 62.100 0.025 0.000 1.006 472 T CB 2.484 71.372 68.868 0.034 0.000 1.191 472 T HN 0.221 nan 8.240 nan 0.000 0.508 473 T N -0.406 114.159 114.554 0.018 0.000 2.810 473 T HA 0.355 4.705 4.350 -0.000 0.000 0.277 473 T C 1.080 175.789 174.700 0.014 0.000 0.973 473 T CA -0.677 61.427 62.100 0.006 0.000 0.949 473 T CB 0.663 69.523 68.868 -0.014 0.000 1.075 473 T HN 0.618 nan 8.240 nan 0.000 0.537 474 N N -0.277 118.426 118.700 0.005 0.000 2.300 474 N HA -0.087 4.653 4.740 -0.000 0.000 0.179 474 N C 1.879 177.405 175.510 0.027 0.000 1.016 474 N CA 0.906 53.969 53.050 0.022 0.000 0.876 474 N CB -0.124 38.377 38.487 0.023 0.000 0.979 474 N HN 0.617 nan 8.380 nan 0.000 0.432 475 Q N 0.556 120.345 119.800 -0.019 0.000 2.084 475 Q HA -0.100 4.240 4.340 -0.000 0.000 0.202 475 Q C 1.821 177.886 176.000 0.107 0.000 0.978 475 Q CA 1.127 56.921 55.803 -0.016 0.000 0.844 475 Q CB -0.031 28.515 28.738 -0.319 0.000 0.898 475 Q HN 0.335 nan 8.270 nan 0.000 0.426 476 K N 0.288 120.733 120.400 0.075 0.000 2.057 476 K HA -0.135 4.185 4.320 -0.000 0.000 0.207 476 K C 2.418 179.077 176.600 0.099 0.000 1.049 476 K CA 1.801 58.148 56.287 0.100 0.000 0.931 476 K CB -0.307 32.234 32.500 0.068 0.000 0.714 476 K HN 0.348 nan 8.250 nan 0.000 0.440 477 T N -0.363 114.240 114.554 0.082 0.000 2.788 477 T HA -0.167 4.183 4.350 -0.000 0.000 0.268 477 T C 1.891 176.651 174.700 0.101 0.000 1.044 477 T CA 0.900 63.050 62.100 0.083 0.000 1.139 477 T CB -0.116 68.792 68.868 0.067 0.000 0.867 477 T HN 0.045 nan 8.240 nan 0.000 0.454 478 Q N 0.270 120.137 119.800 0.112 0.000 2.167 478 Q HA 0.119 4.459 4.340 -0.000 0.000 0.202 478 Q C 2.227 178.307 176.000 0.133 0.000 0.970 478 Q CA 0.833 56.712 55.803 0.126 0.000 0.855 478 Q CB -0.420 28.410 28.738 0.152 0.000 0.911 478 Q HN 0.456 nan 8.270 nan 0.000 0.438 479 L N 0.150 121.460 121.223 0.144 0.000 2.249 479 L HA -0.075 4.265 4.340 -0.000 0.000 0.207 479 L C 2.277 179.219 176.870 0.121 0.000 1.090 479 L CA 1.225 56.136 54.840 0.118 0.000 0.802 479 L CB -0.221 41.917 42.059 0.131 0.000 0.947 479 L HN 0.081 nan 8.230 nan 0.000 0.453 480 Q N -0.593 119.285 119.800 0.131 0.000 2.172 480 Q HA -0.051 4.289 4.340 -0.000 0.000 0.200 480 Q C 2.157 178.270 176.000 0.188 0.000 0.964 480 Q CA 1.609 57.512 55.803 0.166 0.000 0.855 480 Q CB -0.162 28.656 28.738 0.132 0.000 0.918 480 Q HN 0.473 nan 8.270 nan 0.000 0.444 481 A N 0.073 122.984 122.820 0.151 0.000 1.930 481 A HA -0.106 4.214 4.320 -0.000 0.000 0.217 481 A C 2.018 179.695 177.584 0.154 0.000 1.175 481 A CA 1.286 53.419 52.037 0.160 0.000 0.627 481 A CB -0.594 18.491 19.000 0.142 0.000 0.815 481 A HN 0.472 nan 8.150 nan 0.000 0.443 482 I N -2.017 118.625 120.570 0.119 0.000 2.546 482 I HA -0.177 3.993 4.170 -0.000 0.000 0.255 482 I C 2.348 178.505 176.117 0.067 0.000 1.163 482 I CA 1.039 62.376 61.300 0.062 0.000 1.457 482 I CB -0.246 37.778 38.000 0.040 0.000 1.092 482 I HN 0.510 nan 8.210 nan 0.000 0.434 483 Y N 1.573 121.867 120.300 -0.011 0.000 2.314 483 Y HA -0.120 4.430 4.550 -0.000 0.000 0.293 483 Y C 2.118 178.008 175.900 -0.018 0.000 1.129 483 Y CA 1.245 59.329 58.100 -0.025 0.000 1.201 483 Y CB -0.184 38.275 38.460 -0.002 0.000 0.999 483 Y HN 0.032 nan 8.280 nan 0.000 0.541 484 L N -0.619 120.571 121.223 -0.054 0.000 2.005 484 L HA -0.157 4.183 4.340 -0.000 0.000 0.207 484 L C 2.722 179.514 176.870 -0.129 0.000 1.072 484 L CA 1.225 56.037 54.840 -0.047 0.000 0.744 484 L CB -1.055 41.145 42.059 0.234 0.000 0.895 484 L HN 0.235 nan 8.230 nan 0.000 0.433 485 A N -0.249 122.459 122.820 -0.186 0.000 2.076 485 A HA -0.162 4.158 4.320 -0.000 0.000 0.220 485 A C 2.169 179.260 177.584 -0.821 0.000 1.160 485 A CA 1.387 52.976 52.037 -0.746 0.000 0.653 485 A CB -0.584 18.065 19.000 -0.585 0.000 0.801 485 A HN 0.420 nan 8.150 nan 0.000 0.455 486 L N -1.500 119.450 121.223 -0.455 0.000 2.446 486 L HA -0.077 4.263 4.340 -0.000 0.000 0.219 486 L C 2.670 179.339 176.870 -0.334 0.000 1.116 486 L CA 0.548 55.169 54.840 -0.366 0.000 0.844 486 L CB -0.306 41.630 42.059 -0.205 0.000 0.970 486 L HN 0.514 nan 8.230 nan 0.000 0.457 487 Q N 0.000 119.575 119.800 -0.375 0.000 2.036 487 Q HA -0.088 4.252 4.340 -0.000 0.000 0.195 487 Q C 0.503 176.396 176.000 -0.179 0.000 0.971 487 Q CA 0.884 56.511 55.803 -0.293 0.000 0.826 487 Q CB 0.186 28.706 28.738 -0.363 0.000 0.896 487 Q HN 0.400 nan 8.270 nan 0.000 0.449 488 D N 0.820 121.139 120.400 -0.135 0.000 2.494 488 D HA 0.054 4.694 4.640 -0.000 0.000 0.249 488 D C -0.249 176.034 176.300 -0.028 0.000 1.223 488 D CA 0.304 54.301 54.000 -0.005 0.000 0.865 488 D CB 0.105 41.011 40.800 0.177 0.000 0.974 488 D HN -0.091 nan 8.370 nan 0.000 0.491 489 S N -0.814 114.781 115.700 -0.175 0.000 2.607 489 S HA 0.669 5.139 4.470 -0.000 0.000 0.303 489 S C 0.463 175.017 174.600 -0.077 0.000 1.086 489 S CA -0.735 57.351 58.200 -0.190 0.000 0.995 489 S CB 1.685 64.588 63.200 -0.496 0.000 1.084 489 S HN 0.205 nan 8.310 nan 0.000 0.507 490 G N 1.272 110.063 108.800 -0.015 0.000 2.563 490 G HA2 0.389 4.349 3.960 -0.000 0.000 0.283 490 G HA3 0.389 4.349 3.960 -0.000 0.000 0.283 490 G C 0.801 175.687 174.900 -0.023 0.000 1.309 490 G CA -0.642 44.456 45.100 -0.003 0.000 1.022 490 G HN 0.739 nan 8.290 nan 0.000 0.501 491 L N -0.748 120.471 121.223 -0.008 0.000 2.265 491 L HA 0.035 4.375 4.340 -0.000 0.000 0.215 491 L C 0.829 177.698 176.870 -0.003 0.000 1.117 491 L CA 1.170 56.006 54.840 -0.007 0.000 0.782 491 L CB -0.295 41.767 42.059 0.006 0.000 0.914 491 L HN 0.457 nan 8.230 nan 0.000 0.441 492 E N -0.402 119.802 120.200 0.007 0.000 2.224 492 E HA 0.544 4.894 4.350 -0.000 0.000 0.265 492 E C -1.232 175.383 176.600 0.026 0.000 0.878 492 E CA -0.307 56.103 56.400 0.018 0.000 0.759 492 E CB 3.187 32.903 29.700 0.026 0.000 1.164 492 E HN -0.154 nan 8.360 nan 0.000 0.414 493 V N 2.806 122.735 119.914 0.024 0.000 3.048 493 V HA 0.396 4.516 4.120 -0.000 0.000 0.303 493 V C -1.871 174.270 176.094 0.080 0.000 1.214 493 V CA -0.743 61.584 62.300 0.044 0.000 0.984 493 V CB 2.379 34.160 31.823 -0.070 0.000 1.054 493 V HN 0.644 nan 8.190 nan 0.000 0.430 494 N N 5.781 124.562 118.700 0.135 0.000 2.424 494 N HA 0.602 5.342 4.740 -0.000 0.000 0.271 494 N C -0.951 174.642 175.510 0.137 0.000 0.985 494 N CA -0.165 52.995 53.050 0.184 0.000 0.921 494 N CB 2.068 40.655 38.487 0.167 0.000 1.149 494 N HN 0.645 nan 8.380 nan 0.000 0.492 495 I N 1.306 121.919 120.570 0.071 0.000 2.493 495 I HA 0.390 4.560 4.170 -0.000 0.000 0.298 495 I C -0.294 175.791 176.117 -0.053 0.000 0.998 495 I CA -1.050 60.254 61.300 0.006 0.000 1.137 495 I CB 2.042 40.011 38.000 -0.053 0.000 1.310 495 I HN -0.015 nan 8.210 nan 0.000 0.445 496 V N 4.379 124.220 119.914 -0.122 0.000 2.380 496 V HA 0.340 4.460 4.120 -0.000 0.000 0.286 496 V C -0.031 175.986 176.094 -0.129 0.000 1.015 496 V CA -0.367 61.808 62.300 -0.209 0.000 0.834 496 V CB 1.566 33.063 31.823 -0.542 0.000 1.009 496 V HN 0.828 nan 8.190 nan 0.000 0.428 497 T N 1.657 116.168 114.554 -0.072 0.000 2.949 497 T HA 0.434 4.784 4.350 -0.000 0.000 0.287 497 T C 0.248 174.879 174.700 -0.117 0.000 1.034 497 T CA -0.345 61.739 62.100 -0.027 0.000 1.018 497 T CB 1.672 70.571 68.868 0.052 0.000 1.135 497 T HN 0.817 nan 8.240 nan 0.000 0.532 498 D N 0.345 120.682 120.400 -0.105 0.000 2.469 498 D HA 0.131 4.771 4.640 -0.000 0.000 0.215 498 D C 0.241 176.641 176.300 0.167 0.000 1.154 498 D CA -0.207 53.615 54.000 -0.296 0.000 0.832 498 D CB 0.074 40.706 40.800 -0.280 0.000 1.008 498 D HN 0.263 nan 8.370 nan 0.000 0.506 499 S N 0.957 116.829 115.700 0.286 0.000 2.415 499 S HA 0.080 4.550 4.470 -0.000 0.000 0.313 499 S C 1.060 175.865 174.600 0.342 0.000 1.067 499 S CA -0.495 57.901 58.200 0.327 0.000 1.099 499 S CB 1.320 64.654 63.200 0.224 0.000 0.991 499 S HN 0.176 nan 8.310 nan 0.000 0.491 500 Q N 4.152 124.118 119.800 0.277 0.000 2.135 500 Q HA -0.200 4.140 4.340 -0.000 0.000 0.204 500 Q C 1.315 177.333 176.000 0.029 0.000 0.981 500 Q CA 1.765 57.536 55.803 -0.052 0.000 0.856 500 Q CB -0.262 28.358 28.738 -0.197 0.000 0.902 500 Q HN 0.980 nan 8.270 nan 0.000 0.425 501 Y N 0.422 120.726 120.300 0.006 0.000 2.097 501 Y HA -0.270 4.280 4.550 -0.000 0.000 0.282 501 Y C 2.052 177.954 175.900 0.004 0.000 1.152 501 Y CA 1.909 60.012 58.100 0.006 0.000 1.136 501 Y CB -0.757 37.721 38.460 0.029 0.000 0.975 501 Y HN 0.199 nan 8.280 nan 0.000 0.498 502 A N 0.235 122.993 122.820 -0.103 0.000 1.877 502 A HA -0.175 4.145 4.320 -0.000 0.000 0.216 502 A C 2.250 179.738 177.584 -0.161 0.000 1.186 502 A CA 1.688 53.603 52.037 -0.204 0.000 0.620 502 A CB -1.378 17.617 19.000 -0.009 0.000 0.822 502 A HN 0.559 nan 8.150 nan 0.000 0.443 503 L N 0.175 121.363 121.223 -0.057 0.000 1.978 503 L HA -0.152 4.188 4.340 -0.000 0.000 0.218 503 L C 2.514 179.333 176.870 -0.085 0.000 1.075 503 L CA 2.626 57.434 54.840 -0.053 0.000 0.767 503 L CB -1.157 40.881 42.059 -0.036 0.000 0.890 503 L HN 0.353 nan 8.230 nan 0.000 0.434 504 G N -0.431 108.302 108.800 -0.112 0.000 2.491 504 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.218 504 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.218 504 G C 1.631 176.497 174.900 -0.056 0.000 1.180 504 G CA 1.396 46.445 45.100 -0.085 0.000 0.774 504 G HN 0.505 nan 8.290 nan 0.000 0.562 505 I N 0.467 120.925 120.570 -0.187 0.000 2.127 505 I HA -0.179 3.991 4.170 -0.000 0.000 0.241 505 I C 2.733 178.800 176.117 -0.083 0.000 1.075 505 I CA 1.128 62.295 61.300 -0.221 0.000 1.334 505 I CB -0.261 37.415 38.000 -0.540 0.000 1.040 505 I HN 0.163 nan 8.210 nan 0.000 0.405 506 I N -0.026 120.497 120.570 -0.080 0.000 2.315 506 I HA -0.281 3.889 4.170 -0.000 0.000 0.248 506 I C 2.520 178.701 176.117 0.107 0.000 1.117 506 I CA 1.172 62.487 61.300 0.024 0.000 1.404 506 I CB -0.359 37.629 38.000 -0.021 0.000 1.071 506 I HN 0.304 nan 8.210 nan 0.000 0.419 507 Q N 0.748 120.586 119.800 0.063 0.000 2.500 507 Q HA -0.086 4.254 4.340 -0.000 0.000 0.213 507 Q C 1.782 177.879 176.000 0.163 0.000 0.974 507 Q CA 0.921 56.777 55.803 0.088 0.000 0.918 507 Q CB 0.082 28.842 28.738 0.036 0.000 0.980 507 Q HN 0.559 nan 8.270 nan 0.000 0.505 508 A N -0.080 122.867 122.820 0.211 0.000 2.307 508 A HA 0.025 4.345 4.320 -0.000 0.000 0.218 508 A C 0.090 177.848 177.584 0.290 0.000 1.228 508 A CA -0.140 52.091 52.037 0.324 0.000 0.857 508 A CB 0.092 19.322 19.000 0.383 0.000 0.897 508 A HN 0.472 nan 8.150 nan 0.000 0.495 509 Q N -0.509 119.418 119.800 0.212 0.000 2.423 509 Q HA -0.141 4.199 4.340 -0.000 0.000 0.332 509 Q C -2.221 173.789 176.000 0.015 0.000 1.355 509 Q CA 0.473 56.306 55.803 0.049 0.000 0.947 509 Q CB -1.688 26.994 28.738 -0.095 0.000 1.189 509 Q HN 0.600 nan 8.270 nan 0.000 0.418 510 P HA -0.011 nan 4.420 nan 0.000 0.271 510 P C -0.141 177.270 177.300 0.184 0.000 1.218 510 P CA 0.365 63.552 63.100 0.146 0.000 0.780 510 P CB 0.789 32.603 31.700 0.189 0.000 0.901 511 D N 0.581 121.069 120.400 0.147 0.000 2.513 511 D HA 0.135 4.775 4.640 -0.000 0.000 0.222 511 D C 0.015 176.392 176.300 0.128 0.000 1.210 511 D CA -0.231 53.886 54.000 0.195 0.000 0.825 511 D CB 0.066 41.041 40.800 0.292 0.000 1.037 511 D HN 0.443 nan 8.370 nan 0.000 0.506 512 K N -1.749 118.723 120.400 0.120 0.000 2.583 512 K HA 0.559 4.879 4.320 -0.000 0.000 0.260 512 K C -1.709 174.958 176.600 0.112 0.000 0.931 512 K CA -0.759 55.581 56.287 0.088 0.000 0.849 512 K CB 1.662 34.203 32.500 0.068 0.000 1.347 512 K HN -0.068 nan 8.250 nan 0.000 0.425 513 S N 0.800 116.559 115.700 0.098 0.000 2.638 513 S HA 0.301 4.771 4.470 -0.000 0.000 0.274 513 S C -0.439 174.196 174.600 0.058 0.000 1.157 513 S CA -0.623 57.652 58.200 0.125 0.000 0.826 513 S CB 1.931 65.305 63.200 0.289 0.000 1.139 513 S HN 0.734 nan 8.310 nan 0.000 0.474 514 E N 0.658 120.869 120.200 0.020 0.000 2.474 514 E HA 0.148 4.498 4.350 -0.000 0.000 0.194 514 E C -0.091 176.530 176.600 0.035 0.000 1.041 514 E CA -0.029 56.372 56.400 0.002 0.000 0.874 514 E CB 0.615 30.292 29.700 -0.038 0.000 0.914 514 E HN 0.332 nan 8.360 nan 0.000 0.498 515 S N 0.872 116.627 115.700 0.091 0.000 2.499 515 S HA 0.058 4.528 4.470 -0.000 0.000 0.279 515 S C 0.832 175.458 174.600 0.043 0.000 1.219 515 S CA -0.443 57.816 58.200 0.098 0.000 1.062 515 S CB 1.372 64.682 63.200 0.184 0.000 0.978 515 S HN 0.018 nan 8.310 nan 0.000 0.489 516 E N 4.052 124.258 120.200 0.011 0.000 2.106 516 E HA -0.044 4.306 4.350 -0.000 0.000 0.192 516 E C 1.696 178.249 176.600 -0.079 0.000 0.984 516 E CA 1.240 57.623 56.400 -0.028 0.000 0.806 516 E CB -0.279 29.404 29.700 -0.029 0.000 0.750 516 E HN 0.771 nan 8.360 nan 0.000 0.458 517 L N -0.424 120.753 121.223 -0.076 0.000 2.017 517 L HA -0.155 4.185 4.340 -0.000 0.000 0.208 517 L C 2.197 178.974 176.870 -0.154 0.000 1.073 517 L CA 1.147 55.894 54.840 -0.155 0.000 0.745 517 L CB -0.259 41.755 42.059 -0.075 0.000 0.894 517 L HN 0.093 nan 8.230 nan 0.000 0.432 518 V N 0.343 120.227 119.914 -0.052 0.000 2.332 518 V HA -0.321 3.799 4.120 -0.000 0.000 0.248 518 V C 2.239 178.311 176.094 -0.037 0.000 1.055 518 V CA 2.002 64.279 62.300 -0.039 0.000 1.038 518 V CB -0.827 31.010 31.823 0.023 0.000 0.651 518 V HN 0.534 nan 8.190 nan 0.000 0.450 519 N N -0.279 118.407 118.700 -0.024 0.000 2.223 519 N HA -0.197 4.543 4.740 -0.000 0.000 0.185 519 N C 1.953 177.420 175.510 -0.070 0.000 1.016 519 N CA 1.369 54.405 53.050 -0.024 0.000 0.863 519 N CB -0.134 38.341 38.487 -0.020 0.000 0.983 519 N HN 0.619 nan 8.380 nan 0.000 0.429 520 Q N 0.572 120.278 119.800 -0.157 0.000 2.046 520 Q HA 0.036 4.376 4.340 -0.000 0.000 0.200 520 Q C 2.179 178.105 176.000 -0.124 0.000 0.975 520 Q CA 0.847 56.510 55.803 -0.233 0.000 0.836 520 Q CB -0.001 28.374 28.738 -0.606 0.000 0.896 520 Q HN 0.359 nan 8.270 nan 0.000 0.428 521 I N 0.555 121.042 120.570 -0.139 0.000 2.335 521 I HA -0.295 3.875 4.170 -0.000 0.000 0.251 521 I C 1.991 178.083 176.117 -0.042 0.000 1.129 521 I CA 1.066 62.368 61.300 0.004 0.000 1.402 521 I CB -0.265 37.720 38.000 -0.024 0.000 1.069 521 I HN 0.256 nan 8.210 nan 0.000 0.424 522 I N 0.453 120.998 120.570 -0.042 0.000 2.286 522 I HA -0.226 3.944 4.170 -0.000 0.000 0.245 522 I C 2.422 178.513 176.117 -0.042 0.000 1.104 522 I CA 1.259 62.540 61.300 -0.031 0.000 1.397 522 I CB -0.383 37.658 38.000 0.069 0.000 1.072 522 I HN 0.230 nan 8.210 nan 0.000 0.417 523 E N 0.546 120.733 120.200 -0.022 0.000 2.058 523 E HA -0.256 4.094 4.350 -0.000 0.000 0.194 523 E C 2.244 178.833 176.600 -0.019 0.000 0.997 523 E CA 1.073 57.462 56.400 -0.018 0.000 0.801 523 E CB -0.118 29.582 29.700 -0.001 0.000 0.746 523 E HN 0.451 nan 8.360 nan 0.000 0.450 524 Q N 0.582 120.383 119.800 0.003 0.000 2.061 524 Q HA -0.137 4.203 4.340 -0.000 0.000 0.204 524 Q C 2.466 178.408 176.000 -0.097 0.000 0.984 524 Q CA 1.104 56.892 55.803 -0.025 0.000 0.846 524 Q CB -0.456 28.285 28.738 0.005 0.000 0.902 524 Q HN 0.367 nan 8.270 nan 0.000 0.421 525 L N 0.132 121.245 121.223 -0.184 0.000 2.079 525 L HA -0.189 4.151 4.340 -0.000 0.000 0.210 525 L C 2.372 179.102 176.870 -0.234 0.000 1.081 525 L CA 0.902 55.528 54.840 -0.356 0.000 0.752 525 L CB -0.408 41.161 42.059 -0.815 0.000 0.896 525 L HN 0.193 nan 8.230 nan 0.000 0.433 526 I N -0.582 119.934 120.570 -0.090 0.000 2.315 526 I HA -0.257 3.913 4.170 -0.000 0.000 0.248 526 I C 2.448 178.597 176.117 0.054 0.000 1.117 526 I CA 1.173 62.522 61.300 0.082 0.000 1.404 526 I CB -0.306 37.757 38.000 0.105 0.000 1.071 526 I HN 0.216 nan 8.210 nan 0.000 0.419 527 K N 0.798 121.200 120.400 0.004 0.000 2.097 527 K HA -0.084 4.236 4.320 -0.000 0.000 0.206 527 K C 0.887 177.489 176.600 0.004 0.000 1.049 527 K CA 0.726 57.016 56.287 0.004 0.000 0.933 527 K CB -0.073 32.420 32.500 -0.013 0.000 0.717 527 K HN 0.163 nan 8.250 nan 0.000 0.442 528 K N 1.142 121.531 120.400 -0.019 0.000 2.188 528 K HA -0.039 4.281 4.320 -0.000 0.000 0.246 528 K C 0.927 177.538 176.600 0.019 0.000 1.026 528 K CA 0.724 57.001 56.287 -0.017 0.000 0.871 528 K CB 0.319 32.790 32.500 -0.048 0.000 1.042 528 K HN 0.185 nan 8.250 nan 0.000 0.509 529 E N 0.195 120.409 120.200 0.023 0.000 2.571 529 E HA 0.109 4.459 4.350 -0.000 0.000 0.222 529 E C -0.529 176.100 176.600 0.048 0.000 0.904 529 E CA 0.104 56.530 56.400 0.043 0.000 1.157 529 E CB 0.884 30.606 29.700 0.036 0.000 1.158 529 E HN 0.288 nan 8.360 nan 0.000 0.540 530 K N 1.230 121.653 120.400 0.039 0.000 2.606 530 K HA 0.342 4.662 4.320 -0.000 0.000 0.259 530 K C -1.676 174.952 176.600 0.047 0.000 1.001 530 K CA -0.238 56.080 56.287 0.052 0.000 0.881 530 K CB 2.694 35.222 32.500 0.047 0.000 1.288 530 K HN -0.187 nan 8.250 nan 0.000 0.452 531 V N 3.040 122.992 119.914 0.062 0.000 2.709 531 V HA 0.460 4.580 4.120 -0.000 0.000 0.308 531 V C -1.454 174.709 176.094 0.116 0.000 1.062 531 V CA -0.939 61.390 62.300 0.048 0.000 0.901 531 V CB 1.837 33.648 31.823 -0.021 0.000 1.003 531 V HN 0.706 nan 8.190 nan 0.000 0.425 532 Y N 4.599 124.892 120.300 -0.010 0.000 2.346 532 Y HA 0.702 5.252 4.550 -0.000 0.000 0.332 532 Y C -1.152 174.743 175.900 -0.009 0.000 0.985 532 Y CA -0.669 57.431 58.100 -0.000 0.000 1.112 532 Y CB 1.457 39.917 38.460 0.001 0.000 1.170 532 Y HN 0.562 nan 8.280 nan 0.000 0.447 533 L N 5.879 126.713 121.223 -0.649 0.000 2.322 533 L HA 0.927 5.267 4.340 -0.000 0.000 0.279 533 L C -0.440 176.049 176.870 -0.636 0.000 1.036 533 L CA -0.873 53.693 54.840 -0.456 0.000 0.807 533 L CB 1.569 43.483 42.059 -0.242 0.000 1.226 533 L HN 0.848 nan 8.230 nan 0.000 0.433 534 A N 2.534 125.195 122.820 -0.266 0.000 2.556 534 A HA 0.635 4.955 4.320 -0.000 0.000 0.294 534 A C -2.263 175.349 177.584 0.048 0.000 1.091 534 A CA -0.447 51.533 52.037 -0.094 0.000 0.704 534 A CB 1.554 20.586 19.000 0.053 0.000 1.300 534 A HN 0.741 nan 8.150 nan 0.000 0.406 535 W N 1.501 122.755 121.300 -0.077 0.000 2.819 535 W HA 0.639 5.299 4.660 -0.000 0.000 0.337 535 W C -1.090 175.412 176.519 -0.028 0.000 1.077 535 W CA -0.411 56.902 57.345 -0.053 0.000 1.226 535 W CB 2.024 31.453 29.460 -0.050 0.000 1.419 535 W HN 1.072 nan 8.180 nan 0.000 0.502 536 V N 2.818 122.124 119.914 -1.013 0.000 3.049 536 V HA 0.711 4.831 4.120 -0.000 0.000 0.309 536 V C -2.839 172.308 176.094 -1.580 0.000 1.148 536 V CA -3.044 58.666 62.300 -0.984 0.000 0.990 536 V CB 1.546 33.116 31.823 -0.423 0.000 1.039 536 V HN 0.484 nan 8.190 nan 0.000 0.430 537 P HA 0.372 nan 4.420 nan 0.000 0.267 537 P C -0.379 176.685 177.300 -0.393 0.000 1.200 537 P CA 0.466 63.172 63.100 -0.657 0.000 0.772 537 P CB 0.519 32.076 31.700 -0.239 0.000 0.855 538 A N 2.662 125.339 122.820 -0.239 0.000 2.327 538 A HA 0.368 4.688 4.320 -0.000 0.000 0.283 538 A C 0.328 177.799 177.584 -0.189 0.000 1.127 538 A CA -0.164 51.700 52.037 -0.288 0.000 0.810 538 A CB -0.448 18.370 19.000 -0.304 0.000 1.066 538 A HN 0.806 nan 8.150 nan 0.000 0.492 539 H N -0.122 118.933 119.070 -0.026 0.000 3.179 539 H HA -0.123 4.433 4.556 -0.000 0.000 0.250 539 H C 0.309 175.627 175.328 -0.016 0.000 1.142 539 H CA 1.491 57.532 56.048 -0.013 0.000 1.165 539 H CB -1.134 28.629 29.762 0.001 0.000 1.253 539 H HN 0.663 nan 8.280 nan 0.000 0.325 540 K N 0.696 121.116 120.400 0.033 0.000 2.469 540 K HA 0.289 4.609 4.320 -0.000 0.000 0.201 540 K C 1.529 178.133 176.600 0.006 0.000 1.028 540 K CA 0.701 56.999 56.287 0.018 0.000 1.170 540 K CB 0.039 32.529 32.500 -0.015 0.000 0.874 540 K HN 0.538 nan 8.250 nan 0.000 0.507 541 G N 1.137 109.944 108.800 0.013 0.000 2.200 541 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.267 541 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.267 541 G C 0.179 175.075 174.900 -0.007 0.000 0.993 541 G CA 0.136 45.240 45.100 0.006 0.000 0.701 541 G HN 0.236 nan 8.290 nan 0.000 0.524 542 I N 1.444 122.003 120.570 -0.019 0.000 2.906 542 I HA 0.076 4.246 4.170 -0.000 0.000 0.301 542 I C 1.740 177.865 176.117 0.013 0.000 1.221 542 I CA 0.463 61.757 61.300 -0.011 0.000 1.435 542 I CB -0.893 37.083 38.000 -0.040 0.000 1.345 542 I HN 0.288 nan 8.210 nan 0.000 0.558 543 G N 4.977 113.785 108.800 0.014 0.000 2.118 543 G HA2 0.262 4.222 3.960 -0.000 0.000 0.268 543 G HA3 0.262 4.222 3.960 -0.000 0.000 0.268 543 G C 1.040 175.932 174.900 -0.012 0.000 1.006 543 G CA 0.443 45.539 45.100 -0.007 0.000 1.066 543 G HN 1.314 nan 8.290 nan 0.000 0.388 544 G N 2.659 111.372 108.800 -0.146 0.000 2.561 544 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.203 544 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.203 544 G C 1.474 176.306 174.900 -0.113 0.000 1.101 544 G CA 0.710 45.524 45.100 -0.477 0.000 0.711 544 G HN 0.801 nan 8.290 nan 0.000 0.511 545 N N 1.629 120.422 118.700 0.156 0.000 2.244 545 N HA -0.073 4.667 4.740 -0.000 0.000 0.183 545 N C 1.838 177.364 175.510 0.027 0.000 1.016 545 N CA 1.928 55.056 53.050 0.128 0.000 0.866 545 N CB -0.118 38.395 38.487 0.043 0.000 0.980 545 N HN 0.716 nan 8.380 nan 0.000 0.430 546 E N 0.220 120.418 120.200 -0.003 0.000 2.051 546 E HA -0.219 4.131 4.350 -0.000 0.000 0.192 546 E C 1.918 178.509 176.600 -0.015 0.000 0.991 546 E CA 0.865 57.261 56.400 -0.007 0.000 0.799 546 E CB -0.071 29.622 29.700 -0.012 0.000 0.748 546 E HN 0.262 nan 8.360 nan 0.000 0.449 547 Q N 0.600 120.371 119.800 -0.048 0.000 2.062 547 Q HA -0.179 4.161 4.340 -0.000 0.000 0.209 547 Q C 2.287 178.271 176.000 -0.027 0.000 0.996 547 Q CA 2.013 57.782 55.803 -0.057 0.000 0.859 547 Q CB -0.454 28.215 28.738 -0.115 0.000 0.920 547 Q HN 0.297 nan 8.270 nan 0.000 0.415 548 V N 1.141 121.053 119.914 -0.004 0.000 2.270 548 V HA -0.222 3.898 4.120 -0.000 0.000 0.245 548 V C 2.266 178.375 176.094 0.024 0.000 1.043 548 V CA 2.005 64.322 62.300 0.029 0.000 1.014 548 V CB -0.906 30.972 31.823 0.093 0.000 0.645 548 V HN 0.352 nan 8.190 nan 0.000 0.447 549 D N 0.296 120.711 120.400 0.025 0.000 2.172 549 D HA -0.243 4.397 4.640 -0.000 0.000 0.196 549 D C 2.034 178.354 176.300 0.034 0.000 0.999 549 D CA 1.511 55.529 54.000 0.028 0.000 0.856 549 D CB -0.102 40.712 40.800 0.024 0.000 0.934 549 D HN 0.248 nan 8.370 nan 0.000 0.453 550 K N -0.290 120.121 120.400 0.019 0.000 1.991 550 K HA -0.104 4.216 4.320 -0.000 0.000 0.212 550 K C 2.076 178.681 176.600 0.007 0.000 1.049 550 K CA 1.576 57.870 56.287 0.012 0.000 0.932 550 K CB -0.603 31.895 32.500 -0.004 0.000 0.717 550 K HN 0.331 nan 8.250 nan 0.000 0.441 551 L N -1.746 119.475 121.223 -0.002 0.000 2.418 551 L HA 0.118 4.458 4.340 -0.000 0.000 0.218 551 L C 1.812 178.680 176.870 -0.003 0.000 1.125 551 L CA 0.868 55.703 54.840 -0.009 0.000 0.835 551 L CB -0.826 41.218 42.059 -0.025 0.000 0.953 551 L HN -0.157 nan 8.230 nan 0.000 0.454 552 V N 0.341 120.261 119.914 0.009 0.000 2.591 552 V HA -0.111 4.009 4.120 -0.000 0.000 0.249 552 V C 2.505 178.616 176.094 0.028 0.000 1.053 552 V CA 1.643 63.953 62.300 0.017 0.000 1.068 552 V CB -0.350 31.491 31.823 0.030 0.000 0.689 552 V HN 0.752 nan 8.190 nan 0.000 0.462 553 S N 0.190 115.912 115.700 0.037 0.000 2.535 553 S HA 0.317 4.787 4.470 -0.000 0.000 0.214 553 S C 1.161 175.777 174.600 0.027 0.000 0.980 553 S CA 0.337 58.564 58.200 0.044 0.000 0.907 553 S CB -0.033 63.211 63.200 0.074 0.000 0.790 553 S HN 0.441 nan 8.310 nan 0.000 0.510 554 A N 1.871 124.701 122.820 0.017 0.000 2.500 554 A HA 0.548 4.868 4.320 -0.000 0.000 0.285 554 A C 1.249 178.838 177.584 0.007 0.000 1.183 554 A CA 0.297 52.339 52.037 0.008 0.000 0.851 554 A CB -1.494 17.507 19.000 0.001 0.000 1.091 554 A HN 1.639 nan 8.150 nan 0.000 0.521 555 G N 0.225 109.029 108.800 0.007 0.000 2.880 555 G HA2 0.343 4.303 3.960 -0.000 0.000 0.617 555 G HA3 0.343 4.303 3.960 -0.000 0.000 0.617 555 G C 0.744 175.650 174.900 0.010 0.000 1.493 555 G CA 0.456 45.560 45.100 0.006 0.000 0.916 555 G HN 2.620 nan 8.290 nan 0.000 0.553 556 I N -2.909 117.667 120.570 0.010 0.000 5.830 556 I HA 0.434 4.604 4.170 -0.000 0.000 0.126 556 I C 1.340 177.468 176.117 0.018 0.000 1.817 556 I CA 3.690 64.998 61.300 0.014 0.000 2.044 556 I CB -2.653 35.356 38.000 0.015 0.000 3.396 556 I HN 3.283 nan 8.210 nan 0.000 0.171 557 R N 0.000 120.510 120.500 0.016 0.000 2.786 557 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 557 R CA 0.000 56.111 56.100 0.019 0.000 0.921 557 R CB 0.000 30.321 30.300 0.035 0.000 0.687 557 R HN 0.000 nan 8.270 nan 0.000 0.535