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 1j5o_1_A DATA FIRST_RESID 1 DATA SEQUENCE PISPIETVPV KLKPGMDGPK VKQWPLTEEK IKALVEICTE MEKEGKISKI DATA SEQUENCE GPENPYNTPV FAIKKKDSTK WRKLVDFREL NKRTQDFWEV QLGIPHPAGL DATA SEQUENCE KKKKSVTVLD VGDAYFSVPL DEDFRKYTAF TIPSINNETP GIRYQYNVLP DATA SEQUENCE QGWKGSPAIF QSSMTKILEP FKKQNPDIVI YQYIDDLYVG SDLEIGQHRT DATA SEQUENCE KIEELRQHLL RWGLTTPDKK HQKEPPFLWM GYELHPDKWT VQPIVLPEKD DATA SEQUENCE SWTVNDIQKL VGKLNWASQI YPGIKVRQLS KLLRGTKALT EVIPLTEEAE DATA SEQUENCE LELAENREIL KEPVHGVYYD PSKDLIAEIQ KQGQGQWTYQ IYQEPFKNLK DATA SEQUENCE TGKYARMRGA HTNDVKQLTE AVQKITTESI VIWGKTPKFK LPIQKETWET DATA SEQUENCE WWTEYWQATW IPEWEFVNTP PLVKLWYQLE KEPIVGAETF YVDGAANRET DATA SEQUENCE KLGKAGYVTN KGRQKVVPLT NTTNQKTELQ AIYLALQDSG LEVNIVTDSQ DATA SEQUENCE YALGIIQAQP DKSESELVNQ IIEQLIKKEK VYLAWVPAHK GIGGNEQVDK DATA SEQUENCE LVSAGIRK 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 0.000 177.333 177.300 0.055 0.000 1.155 1 P CA 0.000 63.121 63.100 0.036 0.000 0.800 1 P CB 0.000 31.711 31.700 0.018 0.000 0.726 2 I N -0.539 120.059 120.570 0.047 0.000 2.865 2 I HA 0.448 4.618 4.170 -0.000 0.000 0.302 2 I C -0.192 175.958 176.117 0.055 0.000 1.140 2 I CA -0.898 60.443 61.300 0.068 0.000 1.021 2 I CB 2.211 40.251 38.000 0.067 0.000 1.233 2 I HN 0.320 nan 8.210 nan 0.000 0.427 3 S N 5.228 120.988 115.700 0.100 0.000 2.531 3 S HA 0.296 4.766 4.470 -0.000 0.000 0.279 3 S C -1.816 172.835 174.600 0.085 0.000 1.305 3 S CA -0.948 57.331 58.200 0.131 0.000 1.058 3 S CB 0.627 63.962 63.200 0.225 0.000 0.899 3 S HN 0.439 nan 8.310 nan 0.000 0.493 4 P HA 0.215 nan 4.420 nan 0.000 0.243 4 P C -0.169 177.186 177.300 0.092 0.000 1.672 4 P CA -0.340 62.733 63.100 -0.045 0.000 1.000 4 P CB -0.271 31.296 31.700 -0.223 0.000 1.562 5 I N 0.591 121.329 120.570 0.279 0.000 2.474 5 I HA 0.106 4.276 4.170 -0.000 0.000 0.287 5 I C 0.263 176.480 176.117 0.168 0.000 1.048 5 I CA -1.262 60.259 61.300 0.368 0.000 1.383 5 I CB 0.287 38.483 38.000 0.326 0.000 1.412 5 I HN -0.090 nan 8.210 nan 0.000 0.531 6 E N 4.625 124.909 120.200 0.140 0.000 2.694 6 E HA -0.056 4.294 4.350 -0.000 0.000 0.250 6 E C 0.081 176.715 176.600 0.058 0.000 0.963 6 E CA 0.350 56.798 56.400 0.081 0.000 0.949 6 E CB -0.069 29.672 29.700 0.067 0.000 0.911 6 E HN 0.613 nan 8.360 nan 0.000 0.500 7 T N 2.069 116.655 114.554 0.055 0.000 2.926 7 T HA 0.174 4.524 4.350 -0.000 0.000 0.307 7 T C -0.114 174.605 174.700 0.031 0.000 1.059 7 T CA -0.857 61.271 62.100 0.048 0.000 1.122 7 T CB 0.461 69.366 68.868 0.061 0.000 0.972 7 T HN 0.330 nan 8.240 nan 0.000 0.545 8 V N 5.111 125.035 119.914 0.016 0.000 2.465 8 V HA 0.610 4.730 4.120 -0.000 0.000 0.279 8 V C -2.105 173.998 176.094 0.014 0.000 1.045 8 V CA -2.132 60.163 62.300 -0.009 0.000 0.938 8 V CB 0.635 32.420 31.823 -0.064 0.000 0.986 8 V HN 0.742 nan 8.190 nan 0.000 0.467 9 P HA 0.321 nan 4.420 nan 0.000 0.272 9 P C -0.727 176.602 177.300 0.049 0.000 1.230 9 P CA -0.075 63.057 63.100 0.054 0.000 0.788 9 P CB 1.885 33.618 31.700 0.055 0.000 0.949 10 V N 2.353 122.310 119.914 0.071 0.000 2.674 10 V HA 0.235 4.355 4.120 -0.000 0.000 0.279 10 V C -0.198 175.919 176.094 0.037 0.000 1.051 10 V CA -0.728 61.598 62.300 0.044 0.000 0.912 10 V CB 1.018 32.829 31.823 -0.019 0.000 1.044 10 V HN 0.730 nan 8.190 nan 0.000 0.464 11 K N 6.210 126.682 120.400 0.119 0.000 2.102 11 K HA 0.698 5.017 4.320 -0.000 0.000 0.244 11 K C -0.673 176.006 176.600 0.131 0.000 1.021 11 K CA -0.803 55.583 56.287 0.164 0.000 0.913 11 K CB 1.433 34.007 32.500 0.123 0.000 1.062 11 K HN 0.611 nan 8.250 nan 0.000 0.485 12 L N 0.868 122.168 121.223 0.128 0.000 2.357 12 L HA 0.322 4.662 4.340 -0.000 0.000 0.273 12 L C 0.647 177.515 176.870 -0.004 0.000 1.080 12 L CA -0.777 54.081 54.840 0.029 0.000 0.803 12 L CB 1.169 43.152 42.059 -0.127 0.000 1.174 12 L HN 0.869 nan 8.230 nan 0.000 0.443 13 K N 3.331 123.709 120.400 -0.037 0.000 2.489 13 K HA 0.144 4.464 4.320 -0.000 0.000 0.278 13 K C -2.231 174.357 176.600 -0.021 0.000 1.000 13 K CA -1.115 55.150 56.287 -0.037 0.000 1.012 13 K CB -1.134 31.334 32.500 -0.054 0.000 0.903 13 K HN 0.481 nan 8.250 nan 0.000 0.485 14 P HA 0.102 nan 4.420 nan 0.000 0.258 14 P C 0.890 178.189 177.300 -0.002 0.000 1.187 14 P CA 1.472 64.574 63.100 0.003 0.000 0.767 14 P CB 0.392 32.096 31.700 0.007 0.000 0.770 15 G N 3.152 111.953 108.800 0.002 0.000 2.981 15 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.198 15 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.198 15 G C 0.076 174.973 174.900 -0.004 0.000 1.806 15 G CA -0.123 44.977 45.100 0.001 0.000 1.374 15 G HN 0.454 nan 8.290 nan 0.000 0.555 16 M N 1.406 120.993 119.600 -0.022 0.000 2.150 16 M HA 0.537 5.017 4.480 -0.000 0.000 0.278 16 M C 0.419 176.688 176.300 -0.052 0.000 1.213 16 M CA 0.919 56.196 55.300 -0.039 0.000 1.147 16 M CB 0.270 32.831 32.600 -0.065 0.000 1.371 16 M HN 0.517 nan 8.290 nan 0.000 0.444 17 D N -1.229 119.125 120.400 -0.077 0.000 2.732 17 D HA 0.547 5.186 4.640 -0.000 0.000 0.292 17 D C -0.575 175.535 176.300 -0.315 0.000 1.135 17 D CA -0.263 53.680 54.000 -0.094 0.000 1.071 17 D CB 1.039 41.880 40.800 0.068 0.000 1.457 17 D HN 0.639 nan 8.370 nan 0.000 0.547 18 G N 0.133 108.553 108.800 -0.635 0.000 2.559 18 G HA2 0.327 4.287 3.960 -0.000 0.000 0.235 18 G HA3 0.327 4.287 3.960 -0.000 0.000 0.235 18 G C -2.140 172.550 174.900 -0.350 0.000 1.266 18 G CA -0.773 43.678 45.100 -1.083 0.000 0.847 18 G HN 0.398 nan 8.290 nan 0.000 0.583 19 P HA 0.228 nan 4.420 nan 0.000 0.280 19 P C -0.837 176.547 177.300 0.140 0.000 1.386 19 P CA -0.106 63.003 63.100 0.015 0.000 0.899 19 P CB 0.624 32.337 31.700 0.022 0.000 1.098 20 K N 2.889 123.385 120.400 0.161 0.000 2.316 20 K HA 0.511 4.831 4.320 -0.000 0.000 0.267 20 K C -0.637 175.985 176.600 0.037 0.000 1.025 20 K CA -0.851 55.521 56.287 0.141 0.000 0.896 20 K CB 1.674 34.268 32.500 0.156 0.000 1.124 20 K HN 0.208 nan 8.250 nan 0.000 0.451 21 V N 3.975 123.883 119.914 -0.010 0.000 2.623 21 V HA 0.155 4.275 4.120 -0.000 0.000 0.304 21 V C -0.222 175.774 176.094 -0.163 0.000 1.054 21 V CA -1.297 60.947 62.300 -0.093 0.000 0.882 21 V CB 1.733 33.486 31.823 -0.115 0.000 1.002 21 V HN 0.731 nan 8.190 nan 0.000 0.424 22 K N 2.818 123.100 120.400 -0.197 0.000 2.491 22 K HA 0.047 4.367 4.320 -0.000 0.000 0.279 22 K C -0.284 176.075 176.600 -0.403 0.000 1.026 22 K CA -0.065 56.084 56.287 -0.230 0.000 1.070 22 K CB 0.796 33.180 32.500 -0.192 0.000 0.887 22 K HN 0.625 nan 8.250 nan 0.000 0.481 23 Q N 4.726 124.356 119.800 -0.283 0.000 2.421 23 Q HA 0.132 4.472 4.340 -0.000 0.000 0.242 23 Q C -1.282 174.630 176.000 -0.146 0.000 1.024 23 Q CA -0.556 55.061 55.803 -0.309 0.000 0.891 23 Q CB 0.275 28.936 28.738 -0.128 0.000 1.222 23 Q HN 0.539 nan 8.270 nan 0.000 0.483 24 W N 4.094 125.358 121.300 -0.060 0.000 2.170 24 W HA 0.393 5.053 4.660 -0.000 0.000 0.342 24 W C -2.267 174.220 176.519 -0.053 0.000 1.294 24 W CA -2.684 54.644 57.345 -0.029 0.000 1.246 24 W CB -0.947 28.526 29.460 0.022 0.000 1.156 24 W HN 0.505 nan 8.180 nan 0.000 0.572 25 P HA 0.037 nan 4.420 nan 0.000 0.269 25 P C 0.126 177.480 177.300 0.091 0.000 1.252 25 P CA 0.085 63.259 63.100 0.123 0.000 0.780 25 P CB 0.744 32.499 31.700 0.091 0.000 0.829 26 L N 3.216 124.475 121.223 0.059 0.000 2.505 26 L HA 0.224 4.563 4.340 -0.000 0.000 0.226 26 L C 1.654 178.547 176.870 0.037 0.000 1.211 26 L CA 0.111 54.974 54.840 0.038 0.000 0.828 26 L CB 0.116 42.185 42.059 0.016 0.000 1.331 26 L HN 0.386 nan 8.230 nan 0.000 0.513 27 T N -2.670 111.906 114.554 0.036 0.000 2.860 27 T HA 0.224 4.574 4.350 -0.000 0.000 0.299 27 T C 1.181 175.898 174.700 0.029 0.000 1.045 27 T CA 0.113 62.229 62.100 0.028 0.000 1.071 27 T CB 1.019 69.901 68.868 0.023 0.000 0.985 27 T HN 0.694 nan 8.240 nan 0.000 0.537 28 E N 0.996 121.210 120.200 0.024 0.000 2.023 28 E HA -0.199 4.151 4.350 -0.000 0.000 0.196 28 E C 1.898 178.513 176.600 0.025 0.000 1.003 28 E CA 2.028 58.442 56.400 0.024 0.000 0.809 28 E CB -1.327 28.385 29.700 0.020 0.000 0.755 28 E HN 0.954 nan 8.360 nan 0.000 0.449 29 E N -0.117 120.096 120.200 0.022 0.000 2.153 29 E HA -0.097 4.253 4.350 -0.000 0.000 0.194 29 E C 2.676 179.292 176.600 0.026 0.000 0.988 29 E CA 1.479 57.892 56.400 0.022 0.000 0.811 29 E CB -0.238 29.472 29.700 0.017 0.000 0.746 29 E HN 0.526 nan 8.360 nan 0.000 0.466 30 K N 1.340 121.758 120.400 0.030 0.000 2.026 30 K HA -0.143 4.177 4.320 -0.000 0.000 0.208 30 K C 1.825 178.449 176.600 0.041 0.000 1.048 30 K CA 1.426 57.735 56.287 0.036 0.000 0.929 30 K CB -1.083 31.443 32.500 0.043 0.000 0.713 30 K HN 0.061 nan 8.250 nan 0.000 0.439 31 I N 1.274 121.868 120.570 0.041 0.000 2.053 31 I HA -0.377 3.793 4.170 -0.000 0.000 0.236 31 I C 3.224 179.372 176.117 0.053 0.000 1.038 31 I CA 2.736 64.065 61.300 0.048 0.000 1.304 31 I CB -0.585 37.441 38.000 0.043 0.000 1.023 31 I HN 0.533 nan 8.210 nan 0.000 0.395 32 K N 0.701 121.127 120.400 0.044 0.000 2.074 32 K HA -0.201 4.119 4.320 -0.000 0.000 0.209 32 K C 2.173 178.799 176.600 0.043 0.000 1.048 32 K CA 1.906 58.219 56.287 0.043 0.000 0.926 32 K CB -1.496 31.023 32.500 0.033 0.000 0.713 32 K HN 0.564 nan 8.250 nan 0.000 0.444 33 A N 0.802 123.645 122.820 0.038 0.000 1.841 33 A HA -0.033 4.287 4.320 -0.000 0.000 0.216 33 A C 2.501 180.109 177.584 0.040 0.000 1.199 33 A CA 1.665 53.722 52.037 0.034 0.000 0.621 33 A CB -0.582 18.436 19.000 0.030 0.000 0.835 33 A HN 0.460 nan 8.150 nan 0.000 0.445 34 L N -0.352 120.900 121.223 0.048 0.000 2.081 34 L HA -0.238 4.102 4.340 -0.000 0.000 0.212 34 L C 2.565 179.480 176.870 0.075 0.000 1.080 34 L CA 1.393 56.267 54.840 0.057 0.000 0.754 34 L CB -0.512 41.587 42.059 0.066 0.000 0.893 34 L HN 0.312 nan 8.230 nan 0.000 0.433 35 V N -0.116 119.848 119.914 0.084 0.000 2.223 35 V HA -0.322 3.797 4.120 -0.000 0.000 0.244 35 V C 2.980 179.121 176.094 0.079 0.000 1.045 35 V CA 2.377 64.740 62.300 0.104 0.000 1.000 35 V CB -1.327 30.552 31.823 0.093 0.000 0.635 35 V HN 0.615 nan 8.190 nan 0.000 0.445 36 E N 0.000 120.235 120.200 0.058 0.000 2.208 36 E HA -0.300 4.050 4.350 -0.000 0.000 0.202 36 E C 1.824 178.443 176.600 0.033 0.000 1.014 36 E CA 2.323 58.749 56.400 0.043 0.000 0.819 36 E CB -0.826 28.893 29.700 0.032 0.000 0.735 36 E HN 0.710 nan 8.360 nan 0.000 0.469 37 I N -0.277 120.310 120.570 0.029 0.000 2.130 37 I HA -0.221 3.949 4.170 -0.000 0.000 0.234 37 I C 2.748 178.863 176.117 -0.003 0.000 1.067 37 I CA 1.142 62.449 61.300 0.012 0.000 1.339 37 I CB -0.693 37.315 38.000 0.012 0.000 1.073 37 I HN 0.381 nan 8.210 nan 0.000 0.405 38 C N 0.834 120.121 119.300 -0.022 0.000 2.385 38 C HA -0.234 4.226 4.460 -0.000 0.000 0.275 38 C C 3.054 177.989 174.990 -0.091 0.000 1.199 38 C CA 1.814 60.736 59.018 -0.159 0.000 1.782 38 C CB -1.380 26.148 27.740 -0.354 0.000 2.068 38 C HN 0.576 nan 8.230 nan 0.000 0.471 39 T N 0.479 115.059 114.554 0.043 0.000 2.597 39 T HA -0.227 4.123 4.350 -0.000 0.000 0.267 39 T C 2.161 176.897 174.700 0.059 0.000 1.053 39 T CA 2.676 64.835 62.100 0.098 0.000 1.165 39 T CB -0.671 68.249 68.868 0.086 0.000 0.863 39 T HN 0.832 nan 8.240 nan 0.000 0.427 40 E N 2.029 122.247 120.200 0.030 0.000 2.038 40 E HA -0.181 4.168 4.350 -0.000 0.000 0.195 40 E C 2.099 178.710 176.600 0.018 0.000 1.000 40 E CA 1.787 58.198 56.400 0.019 0.000 0.803 40 E CB -0.978 28.724 29.700 0.003 0.000 0.750 40 E HN 0.525 nan 8.360 nan 0.000 0.448 41 M N -0.305 119.297 119.600 0.002 0.000 2.106 41 M HA -0.197 4.283 4.480 -0.000 0.000 0.259 41 M C 2.415 178.734 176.300 0.031 0.000 1.068 41 M CA 2.234 57.540 55.300 0.010 0.000 1.100 41 M CB -0.698 31.890 32.600 -0.020 0.000 1.351 41 M HN 0.579 nan 8.290 nan 0.000 0.404 42 E N 0.974 121.202 120.200 0.047 0.000 2.007 42 E HA -0.214 4.136 4.350 -0.000 0.000 0.194 42 E C 2.323 178.975 176.600 0.087 0.000 0.999 42 E CA 2.255 58.724 56.400 0.116 0.000 0.811 42 E CB -0.002 29.838 29.700 0.233 0.000 0.762 42 E HN 0.475 nan 8.360 nan 0.000 0.450 43 K N 1.252 121.694 120.400 0.070 0.000 2.160 43 K HA -0.244 4.076 4.320 -0.000 0.000 0.206 43 K C 1.718 178.346 176.600 0.046 0.000 1.047 43 K CA 1.943 58.261 56.287 0.052 0.000 0.930 43 K CB -1.012 31.513 32.500 0.041 0.000 0.720 43 K HN 0.375 nan 8.250 nan 0.000 0.450 44 E N -1.668 118.560 120.200 0.046 0.000 2.160 44 E HA -0.032 4.318 4.350 -0.000 0.000 0.195 44 E C 1.472 178.107 176.600 0.057 0.000 0.991 44 E CA 0.745 57.173 56.400 0.047 0.000 0.810 44 E CB -0.104 29.625 29.700 0.047 0.000 0.742 44 E HN 0.770 nan 8.360 nan 0.000 0.466 45 G N 0.878 109.715 108.800 0.062 0.000 2.176 45 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.232 45 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.232 45 G C 0.834 175.774 174.900 0.066 0.000 0.986 45 G CA 0.477 45.615 45.100 0.062 0.000 0.643 45 G HN 0.205 nan 8.290 nan 0.000 0.522 46 K N -0.149 120.293 120.400 0.071 0.000 2.211 46 K HA 0.232 4.552 4.320 -0.000 0.000 0.203 46 K C 1.491 178.087 176.600 -0.006 0.000 1.050 46 K CA 1.532 57.852 56.287 0.054 0.000 0.945 46 K CB -0.003 32.573 32.500 0.127 0.000 0.732 46 K HN 0.814 nan 8.250 nan 0.000 0.451 47 I N -4.086 116.512 120.570 0.047 0.000 3.509 47 I HA 0.416 4.586 4.170 -0.000 0.000 0.311 47 I C -1.048 175.174 176.117 0.176 0.000 1.178 47 I CA -1.253 60.112 61.300 0.108 0.000 0.963 47 I CB 2.305 40.368 38.000 0.105 0.000 1.352 47 I HN -0.176 nan 8.210 nan 0.000 0.482 48 S N -0.261 115.593 115.700 0.256 0.000 2.578 48 S HA 0.488 4.958 4.470 -0.000 0.000 0.272 48 S C -1.320 173.322 174.600 0.071 0.000 1.145 48 S CA -1.223 57.077 58.200 0.168 0.000 0.835 48 S CB 1.663 64.906 63.200 0.071 0.000 1.104 48 S HN 0.631 nan 8.310 nan 0.000 0.458 49 K N 1.304 121.625 120.400 -0.133 0.000 2.230 49 K HA 0.532 4.852 4.320 -0.000 0.000 0.253 49 K C 0.331 176.827 176.600 -0.173 0.000 1.008 49 K CA -0.297 55.793 56.287 -0.328 0.000 0.910 49 K CB 0.132 32.441 32.500 -0.319 0.000 0.994 49 K HN 0.869 nan 8.250 nan 0.000 0.495 50 I N -3.564 116.893 120.570 -0.189 0.000 2.934 50 I HA 0.527 4.697 4.170 -0.000 0.000 0.306 50 I C 0.178 176.222 176.117 -0.123 0.000 1.110 50 I CA -1.211 60.012 61.300 -0.128 0.000 1.019 50 I CB 2.153 40.084 38.000 -0.114 0.000 1.227 50 I HN 0.452 nan 8.210 nan 0.000 0.434 51 G N 2.588 111.327 108.800 -0.101 0.000 2.442 51 G HA2 0.416 4.376 3.960 -0.000 0.000 0.249 51 G HA3 0.416 4.376 3.960 -0.000 0.000 0.249 51 G C -2.206 172.633 174.900 -0.102 0.000 1.263 51 G CA -1.254 43.789 45.100 -0.094 0.000 0.846 51 G HN 0.642 nan 8.290 nan 0.000 0.555 52 P HA 0.082 nan 4.420 nan 0.000 0.235 52 P C 0.031 177.272 177.300 -0.098 0.000 1.765 52 P CA 0.339 63.383 63.100 -0.094 0.000 1.034 52 P CB 0.143 31.794 31.700 -0.080 0.000 1.984 53 E N -0.056 120.073 120.200 -0.118 0.000 2.581 53 E HA 0.045 4.395 4.350 -0.000 0.000 0.195 53 E C -0.487 175.998 176.600 -0.192 0.000 0.936 53 E CA -0.274 56.045 56.400 -0.135 0.000 1.387 53 E CB -0.428 29.204 29.700 -0.113 0.000 1.424 53 E HN 0.124 nan 8.360 nan 0.000 0.742 54 N N 4.341 122.928 118.700 -0.187 0.000 2.602 54 N HA 0.145 4.885 4.740 -0.000 0.000 0.238 54 N C -1.612 173.751 175.510 -0.244 0.000 1.084 54 N CA -0.840 52.067 53.050 -0.237 0.000 0.952 54 N CB 1.499 39.893 38.487 -0.155 0.000 1.244 54 N HN 0.222 nan 8.380 nan 0.000 0.512 55 P HA -0.112 nan 4.420 nan 0.000 0.222 55 P C 0.011 177.210 177.300 -0.167 0.000 1.153 55 P CA 0.459 63.394 63.100 -0.274 0.000 0.798 55 P CB 0.129 31.630 31.700 -0.331 0.000 0.796 56 Y N 1.236 121.521 120.300 -0.025 0.000 2.881 56 Y HA 0.022 4.572 4.550 -0.000 0.000 0.335 56 Y C 1.207 177.113 175.900 0.010 0.000 1.263 56 Y CA -0.332 57.776 58.100 0.013 0.000 1.572 56 Y CB -0.357 38.136 38.460 0.056 0.000 1.237 56 Y HN 0.052 nan 8.280 nan 0.000 0.568 57 N N 1.491 120.296 118.700 0.174 0.000 2.242 57 N HA 0.428 5.168 4.740 -0.000 0.000 0.292 57 N C -1.377 174.175 175.510 0.070 0.000 1.125 57 N CA -0.671 52.437 53.050 0.096 0.000 0.783 57 N CB 2.008 40.510 38.487 0.025 0.000 1.558 57 N HN 0.585 nan 8.380 nan 0.000 0.472 58 T N -0.005 114.584 114.554 0.059 0.000 2.912 58 T HA 0.652 5.002 4.350 -0.000 0.000 0.299 58 T C -3.023 171.625 174.700 -0.087 0.000 1.052 58 T CA -1.664 60.431 62.100 -0.008 0.000 0.996 58 T CB 1.813 70.703 68.868 0.036 0.000 1.070 58 T HN 0.205 nan 8.240 nan 0.000 0.465 59 P HA 0.448 nan 4.420 nan 0.000 0.272 59 P C -1.000 176.202 177.300 -0.162 0.000 1.223 59 P CA -0.523 62.486 63.100 -0.150 0.000 0.784 59 P CB 0.913 32.599 31.700 -0.024 0.000 0.923 60 V N 3.173 122.875 119.914 -0.354 0.000 3.087 60 V HA 0.735 4.855 4.120 -0.000 0.000 0.306 60 V C -1.748 173.924 176.094 -0.703 0.000 1.187 60 V CA -0.478 61.617 62.300 -0.341 0.000 0.999 60 V CB 1.290 32.953 31.823 -0.267 0.000 1.049 60 V HN 0.351 nan 8.190 nan 0.000 0.431 61 F N 2.843 122.784 119.950 -0.015 0.000 2.869 61 F HA 1.011 5.537 4.527 -0.000 0.000 0.325 61 F C 0.158 175.940 175.800 -0.030 0.000 1.184 61 F CA -0.229 57.767 58.000 -0.008 0.000 0.951 61 F CB 1.702 40.685 39.000 -0.027 0.000 1.421 61 F HN 0.865 nan 8.300 nan 0.000 0.501 62 A N 0.675 123.612 122.820 0.196 0.000 2.589 62 A HA 0.845 5.165 4.320 -0.000 0.000 0.296 62 A C -1.843 175.783 177.584 0.069 0.000 1.062 62 A CA -0.555 51.539 52.037 0.094 0.000 0.686 62 A CB 1.897 20.931 19.000 0.057 0.000 1.282 62 A HN 0.959 nan 8.150 nan 0.000 0.404 63 I N 1.255 121.847 120.570 0.036 0.000 2.623 63 I HA 0.172 4.342 4.170 -0.000 0.000 0.265 63 I C -1.111 175.008 176.117 0.005 0.000 1.365 63 I CA -0.217 61.093 61.300 0.017 0.000 1.203 63 I CB 0.848 38.851 38.000 0.004 0.000 1.522 63 I HN 0.659 nan 8.210 nan 0.000 0.442 64 K N 6.888 127.290 120.400 0.004 0.000 2.167 64 K HA 0.141 4.460 4.320 -0.000 0.000 0.275 64 K C 0.079 176.676 176.600 -0.005 0.000 1.103 64 K CA -0.329 55.957 56.287 -0.002 0.000 0.963 64 K CB 0.508 33.007 32.500 -0.002 0.000 1.243 64 K HN 0.374 nan 8.250 nan 0.000 0.407 65 K N 2.245 122.639 120.400 -0.009 0.000 2.451 65 K HA -0.044 4.276 4.320 -0.000 0.000 0.280 65 K C 0.147 176.742 176.600 -0.009 0.000 1.020 65 K CA 0.064 56.345 56.287 -0.011 0.000 1.008 65 K CB 0.319 32.810 32.500 -0.015 0.000 0.917 65 K HN 0.489 nan 8.250 nan 0.000 0.478 66 K N 2.349 122.745 120.400 -0.008 0.000 2.149 66 K HA -0.074 4.246 4.320 -0.000 0.000 0.244 66 K C -0.244 176.353 176.600 -0.006 0.000 1.369 66 K CA 1.756 58.040 56.287 -0.006 0.000 1.368 66 K CB -1.816 30.681 32.500 -0.005 0.000 0.757 66 K HN 0.803 nan 8.250 nan 0.000 0.494 67 D N -0.223 120.174 120.400 -0.006 0.000 2.769 67 D HA 0.736 5.376 4.640 -0.000 0.000 0.219 67 D C 1.010 177.306 176.300 -0.007 0.000 1.245 67 D CA 0.383 54.379 54.000 -0.006 0.000 0.801 67 D CB 0.529 41.325 40.800 -0.008 0.000 1.598 67 D HN 0.783 nan 8.370 nan 0.000 0.485 68 S N -0.753 114.944 115.700 -0.006 0.000 2.325 68 S HA 0.293 4.763 4.470 -0.000 0.000 0.213 68 S C 2.443 177.037 174.600 -0.011 0.000 1.031 68 S CA 2.906 61.102 58.200 -0.007 0.000 0.984 68 S CB -1.101 62.096 63.200 -0.005 0.000 0.939 68 S HN 1.619 nan 8.310 nan 0.000 0.438 69 T N 0.390 114.937 114.554 -0.011 0.000 2.946 69 T HA 0.355 4.705 4.350 -0.000 0.000 0.271 69 T C 1.059 175.745 174.700 -0.023 0.000 1.104 69 T CA 2.058 64.148 62.100 -0.016 0.000 1.114 69 T CB -1.019 67.842 68.868 -0.013 0.000 0.867 69 T HN 0.824 nan 8.240 nan 0.000 0.513 70 K N -0.579 119.810 120.400 -0.019 0.000 2.138 70 K HA 0.633 4.953 4.320 -0.000 0.000 0.263 70 K C -0.819 175.769 176.600 -0.020 0.000 0.965 70 K CA -0.176 56.098 56.287 -0.022 0.000 0.868 70 K CB 0.068 32.558 32.500 -0.016 0.000 1.083 70 K HN 1.134 nan 8.250 nan 0.000 0.443 71 W N -0.877 120.409 121.300 -0.024 0.000 3.425 71 W HA 0.677 5.337 4.660 -0.000 0.000 0.318 71 W C -0.177 176.334 176.519 -0.014 0.000 1.201 71 W CA -0.481 56.854 57.345 -0.018 0.000 1.212 71 W CB 0.045 29.492 29.460 -0.023 0.000 1.355 71 W HN 1.420 nan 8.180 nan 0.000 0.515 72 R N 0.776 121.274 120.500 -0.003 0.000 2.534 72 R HA 1.023 5.363 4.340 -0.000 0.000 0.301 72 R C -0.308 176.003 176.300 0.018 0.000 0.961 72 R CA -0.396 55.708 56.100 0.006 0.000 0.871 72 R CB 1.147 31.450 30.300 0.004 0.000 1.170 72 R HN 2.221 nan 8.270 nan 0.000 0.446 73 K N 2.645 123.060 120.400 0.026 0.000 2.956 73 K HA 0.537 4.857 4.320 -0.000 0.000 0.239 73 K C -1.135 175.478 176.600 0.022 0.000 1.253 73 K CA -0.364 55.940 56.287 0.028 0.000 0.963 73 K CB 0.024 32.531 32.500 0.012 0.000 1.297 73 K HN 0.520 nan 8.250 nan 0.000 0.566 74 L N 0.165 121.414 121.223 0.044 0.000 2.387 74 L HA 0.809 5.149 4.340 -0.000 0.000 0.266 74 L C 0.451 177.319 176.870 -0.005 0.000 1.059 74 L CA -1.174 53.683 54.840 0.029 0.000 0.801 74 L CB 2.107 44.189 42.059 0.040 0.000 1.223 74 L HN 0.298 nan 8.230 nan 0.000 0.456 75 V N -0.841 118.996 119.914 -0.129 0.000 2.769 75 V HA 0.350 4.470 4.120 -0.000 0.000 0.312 75 V C -0.942 174.971 176.094 -0.301 0.000 1.058 75 V CA -0.536 61.544 62.300 -0.367 0.000 0.952 75 V CB 1.875 33.093 31.823 -1.007 0.000 1.019 75 V HN 0.634 nan 8.190 nan 0.000 0.445 76 D N 1.339 121.586 120.400 -0.256 0.000 2.514 76 D HA 0.364 5.004 4.640 -0.000 0.000 0.267 76 D C 0.126 176.378 176.300 -0.079 0.000 1.165 76 D CA -0.422 53.533 54.000 -0.074 0.000 0.958 76 D CB 0.037 40.894 40.800 0.095 0.000 0.992 76 D HN 0.341 nan 8.370 nan 0.000 0.506 77 F N 1.316 121.305 119.950 0.063 0.000 2.708 77 F HA 0.120 4.647 4.527 -0.000 0.000 0.299 77 F C 2.028 177.875 175.800 0.078 0.000 1.289 77 F CA 0.096 58.134 58.000 0.063 0.000 1.444 77 F CB -0.276 38.774 39.000 0.083 0.000 1.086 77 F HN 0.159 nan 8.300 nan 0.000 0.528 78 R N 0.174 120.785 120.500 0.185 0.000 2.088 78 R HA -0.231 4.109 4.340 -0.000 0.000 0.232 78 R C 2.094 178.461 176.300 0.111 0.000 1.136 78 R CA 1.860 58.036 56.100 0.128 0.000 0.926 78 R CB -0.488 29.864 30.300 0.086 0.000 0.837 78 R HN 0.165 nan 8.270 nan 0.000 0.429 79 E N 0.996 121.253 120.200 0.094 0.000 2.130 79 E HA -0.183 4.167 4.350 -0.000 0.000 0.196 79 E C 1.777 178.417 176.600 0.066 0.000 0.998 79 E CA 0.985 57.422 56.400 0.062 0.000 0.806 79 E CB -0.258 29.468 29.700 0.043 0.000 0.738 79 E HN 0.161 nan 8.360 nan 0.000 0.459 80 L N 0.781 122.078 121.223 0.124 0.000 1.973 80 L HA -0.153 4.187 4.340 -0.000 0.000 0.208 80 L C 1.663 178.621 176.870 0.148 0.000 1.073 80 L CA 1.964 56.872 54.840 0.115 0.000 0.746 80 L CB -1.212 40.958 42.059 0.186 0.000 0.891 80 L HN 0.218 nan 8.230 nan 0.000 0.433 81 N N 0.726 119.553 118.700 0.212 0.000 2.192 81 N HA -0.274 4.466 4.740 -0.000 0.000 0.188 81 N C 1.768 177.309 175.510 0.051 0.000 1.013 81 N CA 1.629 54.774 53.050 0.159 0.000 0.863 81 N CB -0.164 38.405 38.487 0.136 0.000 0.990 81 N HN 0.417 nan 8.380 nan 0.000 0.430 82 K N 1.221 121.649 120.400 0.047 0.000 2.147 82 K HA -0.042 4.278 4.320 -0.000 0.000 0.205 82 K C 1.923 178.515 176.600 -0.013 0.000 1.049 82 K CA 1.028 57.321 56.287 0.009 0.000 0.936 82 K CB 0.182 32.692 32.500 0.017 0.000 0.722 82 K HN 0.120 nan 8.250 nan 0.000 0.446 83 R N -0.222 120.274 120.500 -0.006 0.000 2.128 83 R HA 0.085 4.425 4.340 -0.000 0.000 0.211 83 R C 0.435 176.711 176.300 -0.039 0.000 1.067 83 R CA 0.573 56.647 56.100 -0.043 0.000 1.010 83 R CB -0.138 30.108 30.300 -0.090 0.000 0.922 83 R HN 0.056 nan 8.270 nan 0.000 0.457 84 T N 2.793 117.368 114.554 0.034 0.000 2.906 84 T HA -0.056 4.294 4.350 -0.000 0.000 0.320 84 T C 0.268 174.900 174.700 -0.114 0.000 1.088 84 T CA 0.025 62.169 62.100 0.074 0.000 1.120 84 T CB 0.680 69.741 68.868 0.321 0.000 1.000 84 T HN 0.247 nan 8.240 nan 0.000 0.550 85 Q N 1.895 121.600 119.800 -0.158 0.000 2.479 85 Q HA 0.129 4.469 4.340 -0.000 0.000 0.267 85 Q C -0.899 174.742 176.000 -0.599 0.000 1.071 85 Q CA -0.206 55.440 55.803 -0.262 0.000 0.935 85 Q CB 0.440 29.092 28.738 -0.145 0.000 1.295 85 Q HN 0.436 nan 8.270 nan 0.000 0.476 86 D N 1.596 121.727 120.400 -0.448 0.000 2.193 86 D HA 0.341 4.981 4.640 -0.000 0.000 0.244 86 D C -0.815 175.243 176.300 -0.403 0.000 1.064 86 D CA -0.143 53.550 54.000 -0.511 0.000 0.845 86 D CB 0.667 41.330 40.800 -0.229 0.000 1.148 86 D HN 0.409 nan 8.370 nan 0.000 0.464 87 F N -0.296 119.618 119.950 -0.059 0.000 2.556 87 F HA 0.335 4.862 4.527 -0.000 0.000 0.327 87 F C 0.411 176.245 175.800 0.056 0.000 1.059 87 F CA -1.595 56.407 58.000 0.002 0.000 0.953 87 F CB 1.126 40.102 39.000 -0.041 0.000 1.227 87 F HN 0.263 nan 8.300 nan 0.000 0.478 88 W N 3.344 124.726 121.300 0.137 0.000 2.529 88 W HA 0.223 4.883 4.660 -0.000 0.000 0.319 88 W C -0.365 176.187 176.519 0.055 0.000 1.362 88 W CA -0.138 57.242 57.345 0.058 0.000 1.348 88 W CB 0.401 29.878 29.460 0.028 0.000 1.403 88 W HN 0.645 nan 8.180 nan 0.000 0.519 89 E N 2.417 122.498 120.200 -0.198 0.000 2.422 89 E HA 0.074 4.424 4.350 -0.000 0.000 0.260 89 E C -0.681 175.869 176.600 -0.084 0.000 1.108 89 E CA 0.260 56.583 56.400 -0.128 0.000 0.943 89 E CB 0.858 30.437 29.700 -0.201 0.000 0.961 89 E HN 0.206 nan 8.360 nan 0.000 0.443 90 V N 4.320 124.246 119.914 0.020 0.000 2.357 90 V HA 0.440 4.559 4.120 -0.000 0.000 0.284 90 V C -0.636 175.475 176.094 0.029 0.000 1.018 90 V CA -0.487 61.865 62.300 0.087 0.000 0.841 90 V CB 1.017 32.888 31.823 0.079 0.000 0.991 90 V HN 0.476 nan 8.190 nan 0.000 0.437 91 Q N 3.591 123.411 119.800 0.033 0.000 3.041 91 Q HA 0.147 4.486 4.340 -0.000 0.000 0.198 91 Q C -1.004 175.004 176.000 0.013 0.000 0.905 91 Q CA -0.306 55.510 55.803 0.022 0.000 1.255 91 Q CB 1.462 30.207 28.738 0.011 0.000 1.668 91 Q HN 0.752 nan 8.270 nan 0.000 0.609 92 L N 1.703 122.937 121.223 0.017 0.000 3.001 92 L HA 0.600 4.940 4.340 -0.000 0.000 0.234 92 L C 0.427 177.291 176.870 -0.010 0.000 1.321 92 L CA 1.263 56.106 54.840 0.004 0.000 1.138 92 L CB 0.049 42.108 42.059 0.001 0.000 1.503 92 L HN 0.765 nan 8.230 nan 0.000 0.487 93 G N 0.376 109.178 108.800 0.003 0.000 2.746 93 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.685 93 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.685 93 G C -0.324 174.583 174.900 0.011 0.000 1.350 93 G CA -0.301 44.803 45.100 0.007 0.000 0.837 93 G HN 0.830 nan 8.290 nan 0.000 0.564 94 I N -0.399 120.170 120.570 -0.001 0.000 3.156 94 I HA 0.801 4.971 4.170 -0.000 0.000 0.306 94 I C -0.651 175.411 176.117 -0.091 0.000 1.048 94 I CA -1.556 59.695 61.300 -0.082 0.000 1.207 94 I CB 0.701 38.592 38.000 -0.183 0.000 1.456 94 I HN 0.697 nan 8.210 nan 0.000 0.616 95 P HA 0.249 nan 4.420 nan 0.000 0.323 95 P C -1.253 176.026 177.300 -0.035 0.000 1.309 95 P CA 0.101 63.175 63.100 -0.043 0.000 0.739 95 P CB 0.438 32.199 31.700 0.102 0.000 1.454 96 H N -1.230 117.733 119.070 -0.178 0.000 3.069 96 H HA 0.074 4.629 4.556 -0.000 0.000 0.294 96 H C -2.320 172.736 175.328 -0.453 0.000 1.144 96 H CA -0.740 55.067 56.048 -0.402 0.000 1.579 96 H CB 1.526 31.090 29.762 -0.330 0.000 2.174 96 H HN 0.100 nan 8.280 nan 0.000 0.456 97 P HA -0.227 nan 4.420 nan 0.000 0.218 97 P C 1.256 178.332 177.300 -0.373 0.000 1.154 97 P CA 2.264 64.955 63.100 -0.681 0.000 0.872 97 P CB -0.084 30.821 31.700 -1.324 0.000 0.790 98 A N 0.179 122.926 122.820 -0.121 0.000 1.958 98 A HA -0.171 4.149 4.320 -0.000 0.000 0.221 98 A C 2.606 180.443 177.584 0.422 0.000 1.178 98 A CA 2.426 54.632 52.037 0.282 0.000 0.642 98 A CB -1.822 17.339 19.000 0.269 0.000 0.816 98 A HN 0.390 nan 8.150 nan 0.000 0.453 99 G N -1.383 107.389 108.800 -0.045 0.000 2.539 99 G HA2 0.284 4.244 3.960 -0.000 0.000 0.215 99 G HA3 0.284 4.244 3.960 -0.000 0.000 0.215 99 G C 0.591 175.546 174.900 0.093 0.000 1.141 99 G CA 0.412 45.418 45.100 -0.157 0.000 0.806 99 G HN 0.541 nan 8.290 nan 0.000 0.533 100 L N 2.411 123.568 121.223 -0.110 0.000 2.513 100 L HA 0.275 4.615 4.340 -0.000 0.000 0.272 100 L C 0.959 177.727 176.870 -0.170 0.000 1.187 100 L CA -0.924 53.707 54.840 -0.348 0.000 0.895 100 L CB 0.319 41.937 42.059 -0.736 0.000 1.147 100 L HN 0.149 nan 8.230 nan 0.000 0.483 101 K N 4.882 125.207 120.400 -0.123 0.000 2.918 101 K HA 0.368 4.688 4.320 -0.000 0.000 0.318 101 K C -0.645 175.869 176.600 -0.143 0.000 0.995 101 K CA -0.266 55.997 56.287 -0.040 0.000 1.187 101 K CB 0.098 32.580 32.500 -0.031 0.000 1.413 101 K HN 0.597 nan 8.250 nan 0.000 0.556 102 K N -0.033 120.348 120.400 -0.032 0.000 2.371 102 K HA 0.330 4.650 4.320 -0.000 0.000 0.251 102 K C -1.051 175.569 176.600 0.034 0.000 0.934 102 K CA -0.688 55.621 56.287 0.037 0.000 0.798 102 K CB 1.376 33.987 32.500 0.185 0.000 1.204 102 K HN 0.314 nan 8.250 nan 0.000 0.427 103 K N 2.174 122.604 120.400 0.051 0.000 2.443 103 K HA 0.235 4.555 4.320 -0.000 0.000 0.251 103 K C 0.226 176.846 176.600 0.033 0.000 0.972 103 K CA -0.851 55.464 56.287 0.047 0.000 0.833 103 K CB 1.687 34.228 32.500 0.068 0.000 1.317 103 K HN 0.327 nan 8.250 nan 0.000 0.441 104 K N 0.629 121.038 120.400 0.016 0.000 2.032 104 K HA -0.001 4.319 4.320 -0.000 0.000 0.209 104 K C 0.158 176.711 176.600 -0.080 0.000 1.048 104 K CA 1.496 57.775 56.287 -0.014 0.000 0.927 104 K CB 0.089 32.587 32.500 -0.003 0.000 0.712 104 K HN 0.533 nan 8.250 nan 0.000 0.441 105 S N -1.428 114.158 115.700 -0.190 0.000 2.599 105 S HA 0.687 5.157 4.470 -0.000 0.000 0.287 105 S C -1.256 173.067 174.600 -0.462 0.000 1.105 105 S CA -1.016 56.940 58.200 -0.407 0.000 0.899 105 S CB 2.585 65.362 63.200 -0.706 0.000 1.100 105 S HN -0.101 nan 8.310 nan 0.000 0.482 106 V N 0.594 120.383 119.914 -0.208 0.000 3.206 106 V HA 0.847 4.967 4.120 -0.000 0.000 0.305 106 V C -0.621 175.484 176.094 0.019 0.000 1.257 106 V CA -0.709 61.585 62.300 -0.010 0.000 1.057 106 V CB 2.345 34.224 31.823 0.095 0.000 1.075 106 V HN 0.958 nan 8.190 nan 0.000 0.443 107 T N 0.259 114.615 114.554 -0.330 0.000 2.802 107 T HA 0.633 4.983 4.350 -0.000 0.000 0.311 107 T C -1.593 172.730 174.700 -0.627 0.000 1.405 107 T CA -0.505 61.335 62.100 -0.434 0.000 1.016 107 T CB 2.088 70.916 68.868 -0.067 0.000 1.352 107 T HN 0.522 nan 8.240 nan 0.000 0.498 108 V N 2.644 122.242 119.914 -0.527 0.000 2.498 108 V HA 0.430 4.550 4.120 -0.000 0.000 0.283 108 V C -0.705 175.273 176.094 -0.193 0.000 1.015 108 V CA -0.655 61.376 62.300 -0.449 0.000 0.867 108 V CB 0.935 32.288 31.823 -0.784 0.000 1.025 108 V HN 0.653 nan 8.190 nan 0.000 0.441 109 L N 3.574 124.755 121.223 -0.071 0.000 2.375 109 L HA 0.753 5.093 4.340 -0.000 0.000 0.268 109 L C -0.716 176.176 176.870 0.037 0.000 1.058 109 L CA -0.455 54.389 54.840 0.006 0.000 0.803 109 L CB 1.572 43.636 42.059 0.007 0.000 1.212 109 L HN 0.542 nan 8.230 nan 0.000 0.451 110 D N 0.401 120.831 120.400 0.051 0.000 2.788 110 D HA 0.383 5.023 4.640 -0.000 0.000 0.247 110 D C -0.801 175.527 176.300 0.047 0.000 1.236 110 D CA -0.387 53.647 54.000 0.056 0.000 0.898 110 D CB 2.015 42.852 40.800 0.062 0.000 1.401 110 D HN 0.220 nan 8.370 nan 0.000 0.549 111 V N 0.094 120.038 119.914 0.051 0.000 2.530 111 V HA 0.817 4.937 4.120 -0.000 0.000 0.282 111 V C 0.977 177.090 176.094 0.031 0.000 1.048 111 V CA -0.716 61.618 62.300 0.056 0.000 0.997 111 V CB 0.950 32.838 31.823 0.107 0.000 0.987 111 V HN 0.521 nan 8.190 nan 0.000 0.477 112 G N 2.038 110.857 108.800 0.032 0.000 2.507 112 G HA2 0.426 4.386 3.960 -0.000 0.000 0.271 112 G HA3 0.426 4.386 3.960 -0.000 0.000 0.271 112 G C 0.286 175.199 174.900 0.022 0.000 1.189 112 G CA 0.272 45.382 45.100 0.016 0.000 0.859 112 G HN 1.116 nan 8.290 nan 0.000 0.542 113 D N -0.433 119.969 120.400 0.005 0.000 3.070 113 D HA -0.296 4.344 4.640 -0.000 0.000 0.220 113 D C 1.934 178.298 176.300 0.108 0.000 1.176 113 D CA 1.605 55.622 54.000 0.028 0.000 0.924 113 D CB -1.014 39.792 40.800 0.010 0.000 1.124 113 D HN 0.827 nan 8.370 nan 0.000 0.411 114 A N -0.426 122.379 122.820 -0.026 0.000 1.826 114 A HA -0.387 3.933 4.320 -0.000 0.000 0.267 114 A C 1.793 179.295 177.584 -0.136 0.000 2.510 114 A CA 2.741 54.598 52.037 -0.300 0.000 0.865 114 A CB -1.542 16.779 19.000 -1.133 0.000 0.830 114 A HN 0.497 nan 8.150 nan 0.000 0.508 115 Y N -1.582 118.640 120.300 -0.129 0.000 1.993 115 Y HA -0.236 4.314 4.550 -0.000 0.000 0.267 115 Y C 2.240 178.298 175.900 0.262 0.000 1.155 115 Y CA 2.237 60.414 58.100 0.128 0.000 1.105 115 Y CB -1.006 37.540 38.460 0.144 0.000 0.960 115 Y HN 0.337 nan 8.280 nan 0.000 0.486 116 F N -0.562 119.533 119.950 0.241 0.000 2.605 116 F HA -0.169 4.358 4.527 -0.000 0.000 0.296 116 F C 2.194 178.073 175.800 0.132 0.000 1.146 116 F CA 1.153 59.240 58.000 0.144 0.000 1.478 116 F CB -0.719 38.325 39.000 0.072 0.000 1.107 116 F HN -0.052 nan 8.300 nan 0.000 0.600 117 S N -1.236 114.671 115.700 0.344 0.000 2.486 117 S HA 0.119 4.589 4.470 -0.000 0.000 0.220 117 S C 0.748 175.490 174.600 0.236 0.000 1.011 117 S CA -0.006 58.352 58.200 0.264 0.000 0.921 117 S CB 0.239 63.595 63.200 0.260 0.000 0.785 117 S HN -0.084 nan 8.310 nan 0.000 0.517 118 V N 4.901 124.973 119.914 0.264 0.000 2.481 118 V HA 0.334 4.453 4.120 -0.000 0.000 0.286 118 V C -2.167 174.022 176.094 0.159 0.000 1.042 118 V CA -2.108 60.306 62.300 0.190 0.000 0.928 118 V CB 1.407 33.339 31.823 0.182 0.000 0.986 118 V HN 0.158 nan 8.190 nan 0.000 0.462 119 P HA 0.220 nan 4.420 nan 0.000 0.276 119 P C -0.899 176.463 177.300 0.104 0.000 1.244 119 P CA -0.482 62.679 63.100 0.102 0.000 0.801 119 P CB 1.454 33.205 31.700 0.085 0.000 1.006 120 L N 1.957 123.237 121.223 0.094 0.000 2.379 120 L HA 0.340 4.679 4.340 -0.000 0.000 0.269 120 L C 0.080 177.005 176.870 0.092 0.000 1.084 120 L CA -0.411 54.487 54.840 0.096 0.000 0.802 120 L CB -0.061 42.047 42.059 0.082 0.000 1.175 120 L HN 0.319 nan 8.230 nan 0.000 0.448 121 D N 2.350 122.813 120.400 0.105 0.000 2.426 121 D HA -0.049 4.591 4.640 -0.000 0.000 0.261 121 D C 1.011 177.380 176.300 0.115 0.000 1.245 121 D CA 0.638 54.704 54.000 0.109 0.000 0.917 121 D CB 0.598 41.475 40.800 0.128 0.000 1.123 121 D HN 0.680 nan 8.370 nan 0.000 0.508 122 E N 2.749 122.999 120.200 0.082 0.000 2.113 122 E HA -0.336 4.013 4.350 -0.000 0.000 0.210 122 E C 1.146 177.782 176.600 0.060 0.000 1.040 122 E CA 1.839 58.275 56.400 0.060 0.000 0.847 122 E CB -0.101 29.625 29.700 0.044 0.000 0.755 122 E HN 0.668 nan 8.360 nan 0.000 0.459 123 D N -0.176 120.276 120.400 0.087 0.000 2.103 123 D HA -0.198 4.441 4.640 -0.000 0.000 0.190 123 D C 1.566 177.943 176.300 0.129 0.000 0.997 123 D CA 1.135 55.194 54.000 0.098 0.000 0.833 123 D CB -0.189 40.690 40.800 0.131 0.000 0.961 123 D HN 0.106 nan 8.370 nan 0.000 0.447 124 F N 0.927 120.907 119.950 0.049 0.000 2.604 124 F HA 0.093 4.620 4.527 -0.000 0.000 0.298 124 F C 1.999 177.800 175.800 0.002 0.000 1.131 124 F CA 0.633 58.695 58.000 0.104 0.000 1.457 124 F CB 0.016 39.059 39.000 0.072 0.000 1.095 124 F HN -0.130 nan 8.300 nan 0.000 0.574 125 R N 0.364 120.856 120.500 -0.012 0.000 2.139 125 R HA -0.209 4.131 4.340 -0.000 0.000 0.243 125 R C 2.024 178.197 176.300 -0.212 0.000 1.145 125 R CA 1.666 57.711 56.100 -0.092 0.000 0.976 125 R CB -0.378 29.916 30.300 -0.010 0.000 0.866 125 R HN 0.249 nan 8.270 nan 0.000 0.449 126 K N -0.475 119.741 120.400 -0.306 0.000 2.228 126 K HA -0.210 4.110 4.320 -0.000 0.000 0.205 126 K C 1.518 177.856 176.600 -0.436 0.000 1.045 126 K CA 1.627 57.680 56.287 -0.390 0.000 0.931 126 K CB -0.112 32.084 32.500 -0.507 0.000 0.727 126 K HN 0.263 nan 8.250 nan 0.000 0.458 127 Y N -0.060 120.022 120.300 -0.364 0.000 2.301 127 Y HA -0.068 4.482 4.550 -0.000 0.000 0.295 127 Y C 2.135 177.842 175.900 -0.321 0.000 1.119 127 Y CA 0.968 58.807 58.100 -0.435 0.000 1.162 127 Y CB -0.729 37.185 38.460 -0.910 0.000 1.046 127 Y HN 0.018 nan 8.280 nan 0.000 0.538 128 T N -0.481 113.898 114.554 -0.291 0.000 3.928 128 T HA 0.421 4.770 4.350 -0.000 0.000 0.247 128 T C 0.397 175.117 174.700 0.034 0.000 0.955 128 T CA 0.027 61.954 62.100 -0.289 0.000 0.935 128 T CB -1.267 67.339 68.868 -0.438 0.000 1.180 128 T HN 0.247 nan 8.240 nan 0.000 0.660 129 A N 1.387 124.287 122.820 0.133 0.000 2.248 129 A HA 0.907 5.227 4.320 -0.000 0.000 0.316 129 A C -0.322 177.483 177.584 0.369 0.000 1.101 129 A CA -1.172 50.985 52.037 0.199 0.000 0.875 129 A CB 0.721 19.756 19.000 0.058 0.000 1.207 129 A HN 0.922 nan 8.150 nan 0.000 0.504 130 F N -3.012 117.013 119.950 0.125 0.000 2.744 130 F HA 0.623 5.150 4.527 -0.000 0.000 0.311 130 F C -0.803 175.056 175.800 0.098 0.000 1.144 130 F CA -0.707 57.342 58.000 0.082 0.000 0.938 130 F CB 1.042 40.080 39.000 0.063 0.000 1.292 130 F HN 0.349 nan 8.300 nan 0.000 0.444 131 T N 3.606 118.298 114.554 0.231 0.000 2.772 131 T HA 0.506 4.856 4.350 -0.000 0.000 0.288 131 T C -0.552 174.279 174.700 0.217 0.000 0.994 131 T CA -0.307 61.866 62.100 0.122 0.000 0.951 131 T CB 1.056 69.953 68.868 0.049 0.000 0.933 131 T HN 0.825 nan 8.240 nan 0.000 0.447 132 I N 5.470 126.183 120.570 0.239 0.000 2.304 132 I HA 0.420 4.590 4.170 -0.000 0.000 0.291 132 I C -2.485 173.710 176.117 0.129 0.000 1.018 132 I CA -2.680 58.762 61.300 0.237 0.000 1.260 132 I CB 1.421 39.614 38.000 0.322 0.000 1.390 132 I HN 0.348 nan 8.210 nan 0.000 0.475 133 P HA 0.206 nan 4.420 nan 0.000 0.273 133 P C -1.153 176.179 177.300 0.054 0.000 1.250 133 P CA -0.259 62.876 63.100 0.057 0.000 0.793 133 P CB 0.750 32.479 31.700 0.048 0.000 1.011 134 S N -0.837 114.886 115.700 0.039 0.000 2.685 134 S HA 0.758 5.227 4.470 -0.000 0.000 0.282 134 S C -0.399 174.217 174.600 0.028 0.000 1.159 134 S CA -0.944 57.276 58.200 0.034 0.000 0.833 134 S CB 0.559 63.775 63.200 0.026 0.000 1.151 134 S HN 0.417 nan 8.310 nan 0.000 0.485 135 I N -1.531 119.054 120.570 0.024 0.000 2.498 135 I HA 0.718 4.888 4.170 -0.000 0.000 0.301 135 I C 1.493 177.619 176.117 0.015 0.000 0.984 135 I CA -0.481 60.832 61.300 0.020 0.000 1.204 135 I CB 0.325 38.337 38.000 0.020 0.000 1.362 135 I HN 0.951 nan 8.210 nan 0.000 0.471 136 N N 4.570 123.278 118.700 0.014 0.000 1.300 136 N HA -0.471 4.269 4.740 -0.000 0.000 0.110 136 N C 1.542 177.057 175.510 0.007 0.000 0.359 136 N CA 3.236 56.292 53.050 0.010 0.000 0.807 136 N CB -1.686 36.807 38.487 0.009 0.000 0.661 136 N HN 0.983 nan 8.380 nan 0.000 1.393 137 N N 0.894 119.598 118.700 0.007 0.000 2.067 137 N HA -0.264 4.476 4.740 -0.000 0.000 0.172 137 N C 0.969 176.480 175.510 0.002 0.000 0.861 137 N CA 3.310 56.362 53.050 0.004 0.000 0.874 137 N CB -0.717 37.773 38.487 0.005 0.000 1.002 137 N HN 1.060 nan 8.380 nan 0.000 0.932 138 E N 0.516 120.717 120.200 0.002 0.000 1.775 138 E HA 0.147 4.497 4.350 -0.000 0.000 0.266 138 E C 0.938 177.537 176.600 -0.001 0.000 1.191 138 E CA 0.277 56.675 56.400 -0.002 0.000 1.048 138 E CB -0.941 28.758 29.700 -0.002 0.000 1.081 138 E HN 0.491 nan 8.360 nan 0.000 0.434 139 T N 2.269 116.822 114.554 -0.003 0.000 2.685 139 T HA -0.099 4.251 4.350 -0.000 0.000 0.268 139 T C -0.851 173.846 174.700 -0.005 0.000 1.034 139 T CA 1.409 63.508 62.100 -0.002 0.000 1.149 139 T CB -0.807 68.059 68.868 -0.004 0.000 0.860 139 T HN 0.528 nan 8.240 nan 0.000 0.449 140 P HA 0.435 nan 4.420 nan 0.000 0.274 140 P C 0.168 177.459 177.300 -0.016 0.000 1.231 140 P CA -0.263 62.827 63.100 -0.018 0.000 0.790 140 P CB 0.634 32.318 31.700 -0.026 0.000 0.951 141 G N 0.941 109.729 108.800 -0.019 0.000 2.535 141 G HA2 0.594 4.554 3.960 -0.000 0.000 0.303 141 G HA3 0.594 4.554 3.960 -0.000 0.000 0.303 141 G C -0.709 174.171 174.900 -0.033 0.000 1.237 141 G CA -0.776 44.316 45.100 -0.013 0.000 0.986 141 G HN 0.424 nan 8.290 nan 0.000 0.494 142 I N 0.748 121.306 120.570 -0.021 0.000 2.359 142 I HA 0.407 4.577 4.170 -0.000 0.000 0.294 142 I C -0.309 175.758 176.117 -0.084 0.000 0.987 142 I CA -0.884 60.377 61.300 -0.066 0.000 1.225 142 I CB 1.625 39.618 38.000 -0.013 0.000 1.366 142 I HN 0.149 nan 8.210 nan 0.000 0.466 143 R N 5.857 126.237 120.500 -0.200 0.000 2.589 143 R HA 0.617 4.957 4.340 -0.000 0.000 0.293 143 R C -1.539 174.552 176.300 -0.349 0.000 0.963 143 R CA -0.981 54.987 56.100 -0.220 0.000 0.905 143 R CB 1.677 31.873 30.300 -0.173 0.000 1.144 143 R HN 0.512 nan 8.270 nan 0.000 0.459 144 Y N 0.576 120.535 120.300 -0.569 0.000 2.479 144 Y HA 0.189 4.739 4.550 -0.000 0.000 0.338 144 Y C -0.123 175.467 175.900 -0.517 0.000 1.055 144 Y CA -0.870 56.867 58.100 -0.605 0.000 1.023 144 Y CB 2.625 40.531 38.460 -0.924 0.000 1.287 144 Y HN 0.492 nan 8.280 nan 0.000 0.447 145 Q N 1.204 121.034 119.800 0.050 0.000 2.351 145 Q HA 0.534 4.874 4.340 -0.000 0.000 0.273 145 Q C -1.732 174.482 176.000 0.356 0.000 1.077 145 Q CA -1.151 54.755 55.803 0.172 0.000 0.843 145 Q CB 1.988 30.763 28.738 0.062 0.000 1.367 145 Q HN 0.535 nan 8.270 nan 0.000 0.449 146 Y N 1.396 121.776 120.300 0.132 0.000 2.377 146 Y HA 0.107 4.657 4.550 -0.000 0.000 0.330 146 Y C 0.456 176.377 175.900 0.035 0.000 1.108 146 Y CA -0.583 57.574 58.100 0.094 0.000 1.308 146 Y CB 1.100 39.574 38.460 0.023 0.000 1.216 146 Y HN 0.843 nan 8.280 nan 0.000 0.518 147 N N 0.685 119.449 118.700 0.107 0.000 2.205 147 N HA 0.189 4.929 4.740 -0.000 0.000 0.201 147 N C -0.755 174.793 175.510 0.064 0.000 1.128 147 N CA 0.095 53.192 53.050 0.077 0.000 0.867 147 N CB 0.621 39.148 38.487 0.065 0.000 0.996 147 N HN 0.386 nan 8.380 nan 0.000 0.503 148 V N -3.342 116.597 119.914 0.042 0.000 3.087 148 V HA 0.495 4.615 4.120 -0.000 0.000 0.311 148 V C -0.159 175.969 176.094 0.058 0.000 1.333 148 V CA -1.232 61.097 62.300 0.047 0.000 1.054 148 V CB 1.123 32.966 31.823 0.033 0.000 1.123 148 V HN -0.237 nan 8.190 nan 0.000 0.473 149 L N 3.544 124.824 121.223 0.095 0.000 2.500 149 L HA 0.320 4.660 4.340 -0.000 0.000 0.272 149 L C -2.086 174.828 176.870 0.074 0.000 1.149 149 L CA -1.183 53.768 54.840 0.186 0.000 0.897 149 L CB 0.778 43.039 42.059 0.337 0.000 1.178 149 L HN 0.537 nan 8.230 nan 0.000 0.473 150 P HA -0.005 nan 4.420 nan 0.000 0.271 150 P C 0.086 177.503 177.300 0.196 0.000 1.226 150 P CA -0.415 62.865 63.100 0.299 0.000 0.765 150 P CB 0.730 32.392 31.700 -0.063 0.000 0.835 151 Q N 2.414 122.307 119.800 0.155 0.000 2.522 151 Q HA -0.091 4.249 4.340 -0.000 0.000 0.216 151 Q C 0.857 176.894 176.000 0.061 0.000 0.986 151 Q CA 1.724 57.572 55.803 0.074 0.000 0.901 151 Q CB -0.675 28.200 28.738 0.227 0.000 0.954 151 Q HN 0.635 nan 8.270 nan 0.000 0.502 152 G N -0.017 108.914 108.800 0.219 0.000 4.908 152 G HA2 0.169 4.129 3.960 -0.000 0.000 0.267 152 G HA3 0.169 4.129 3.960 -0.000 0.000 0.267 152 G C -1.597 173.484 174.900 0.301 0.000 0.958 152 G CA -0.655 44.574 45.100 0.214 0.000 0.743 152 G HN 0.275 nan 8.290 nan 0.000 0.410 153 W N 3.300 124.625 121.300 0.042 0.000 2.314 153 W HA 0.401 5.061 4.660 -0.000 0.000 0.310 153 W C 1.540 178.102 176.519 0.071 0.000 1.075 153 W CA -1.622 55.727 57.345 0.007 0.000 1.253 153 W CB 1.148 30.549 29.460 -0.097 0.000 1.238 153 W HN 0.175 nan 8.180 nan 0.000 0.440 154 K N 3.439 123.596 120.400 -0.405 0.000 2.163 154 K HA -0.265 4.054 4.320 -0.000 0.000 0.210 154 K C 1.677 177.907 176.600 -0.617 0.000 1.048 154 K CA 1.991 58.005 56.287 -0.454 0.000 0.928 154 K CB -0.962 31.287 32.500 -0.419 0.000 0.716 154 K HN 0.658 nan 8.250 nan 0.000 0.459 155 G N 1.371 109.134 108.800 -1.728 0.000 2.604 155 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.216 155 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.216 155 G C 1.412 175.966 174.900 -0.577 0.000 1.265 155 G CA 1.717 45.821 45.100 -1.660 0.000 0.804 155 G HN 0.407 nan 8.290 nan 0.000 0.579 156 S N 2.205 117.884 115.700 -0.035 0.000 2.472 156 S HA -0.250 4.220 4.470 -0.000 0.000 0.292 156 S C 0.326 175.089 174.600 0.271 0.000 1.175 156 S CA 2.327 60.741 58.200 0.356 0.000 1.249 156 S CB -1.657 61.880 63.200 0.562 0.000 1.208 156 S HN 0.353 nan 8.310 nan 0.000 0.442 157 P HA -0.259 nan 4.420 nan 0.000 0.212 157 P C 1.646 178.989 177.300 0.071 0.000 1.128 157 P CA 2.202 65.416 63.100 0.190 0.000 0.961 157 P CB -0.263 31.474 31.700 0.061 0.000 0.782 158 A N -1.289 121.516 122.820 -0.024 0.000 1.930 158 A HA -0.165 4.155 4.320 -0.000 0.000 0.217 158 A C 2.107 179.629 177.584 -0.104 0.000 1.175 158 A CA 1.496 53.491 52.037 -0.071 0.000 0.627 158 A CB -1.494 17.443 19.000 -0.105 0.000 0.815 158 A HN 0.042 nan 8.150 nan 0.000 0.443 159 I N -0.984 119.504 120.570 -0.138 0.000 2.068 159 I HA -0.275 3.895 4.170 -0.000 0.000 0.238 159 I C 2.315 178.387 176.117 -0.074 0.000 1.046 159 I CA 1.748 62.981 61.300 -0.112 0.000 1.306 159 I CB -1.882 36.117 38.000 -0.003 0.000 1.023 159 I HN 0.427 nan 8.210 nan 0.000 0.399 160 F N 1.440 121.319 119.950 -0.118 0.000 2.115 160 F HA -0.320 4.207 4.527 -0.000 0.000 0.300 160 F C 2.707 178.405 175.800 -0.170 0.000 1.092 160 F CA 2.075 59.965 58.000 -0.184 0.000 1.245 160 F CB -0.401 38.358 39.000 -0.403 0.000 0.995 160 F HN 0.188 nan 8.300 nan 0.000 0.481 161 Q N -0.537 119.222 119.800 -0.068 0.000 1.921 161 Q HA -0.253 4.087 4.340 -0.000 0.000 0.208 161 Q C 2.470 178.347 176.000 -0.205 0.000 0.994 161 Q CA 2.221 57.957 55.803 -0.111 0.000 0.857 161 Q CB -0.974 27.738 28.738 -0.045 0.000 0.925 161 Q HN 0.355 nan 8.270 nan 0.000 0.421 162 S N -0.103 115.503 115.700 -0.156 0.000 2.399 162 S HA -0.271 4.199 4.470 -0.000 0.000 0.235 162 S C 1.977 176.452 174.600 -0.209 0.000 1.063 162 S CA 1.686 59.794 58.200 -0.154 0.000 1.070 162 S CB -0.333 62.787 63.200 -0.134 0.000 0.904 162 S HN 0.349 nan 8.310 nan 0.000 0.456 163 S N 1.181 116.716 115.700 -0.275 0.000 2.361 163 S HA -0.076 4.394 4.470 -0.000 0.000 0.214 163 S C 1.892 176.251 174.600 -0.402 0.000 1.034 163 S CA 1.423 59.429 58.200 -0.323 0.000 1.025 163 S CB -0.507 62.472 63.200 -0.368 0.000 0.996 163 S HN 0.404 nan 8.310 nan 0.000 0.422 164 M N 1.813 121.060 119.600 -0.589 0.000 2.195 164 M HA -0.188 4.292 4.480 -0.000 0.000 0.254 164 M C 1.972 178.085 176.300 -0.312 0.000 1.083 164 M CA 1.750 56.746 55.300 -0.506 0.000 1.069 164 M CB -1.966 30.317 32.600 -0.529 0.000 1.364 164 M HN 0.451 nan 8.290 nan 0.000 0.403 165 T N -0.318 114.083 114.554 -0.255 0.000 2.588 165 T HA -0.172 4.178 4.350 -0.000 0.000 0.261 165 T C 1.782 176.359 174.700 -0.204 0.000 1.069 165 T CA 1.449 63.442 62.100 -0.179 0.000 1.172 165 T CB -0.311 68.471 68.868 -0.142 0.000 0.863 165 T HN 0.386 nan 8.240 nan 0.000 0.408 166 K N 0.372 120.632 120.400 -0.232 0.000 2.127 166 K HA -0.180 4.140 4.320 -0.000 0.000 0.212 166 K C 2.147 178.529 176.600 -0.364 0.000 1.050 166 K CA 1.505 57.636 56.287 -0.259 0.000 0.929 166 K CB -0.535 31.803 32.500 -0.270 0.000 0.715 166 K HN 0.227 nan 8.250 nan 0.000 0.457 167 I N 0.879 121.161 120.570 -0.481 0.000 2.133 167 I HA -0.266 3.903 4.170 -0.000 0.000 0.238 167 I C 2.142 178.047 176.117 -0.353 0.000 1.074 167 I CA 1.221 62.142 61.300 -0.632 0.000 1.342 167 I CB -0.437 37.195 38.000 -0.614 0.000 1.053 167 I HN 0.119 nan 8.210 nan 0.000 0.404 168 L N 0.043 121.116 121.223 -0.250 0.000 2.083 168 L HA -0.228 4.112 4.340 -0.000 0.000 0.209 168 L C 2.483 179.376 176.870 0.039 0.000 1.083 168 L CA 1.652 56.439 54.840 -0.088 0.000 0.752 168 L CB -1.275 40.752 42.059 -0.054 0.000 0.899 168 L HN 0.345 nan 8.230 nan 0.000 0.433 169 E N 0.812 120.993 120.200 -0.032 0.000 2.045 169 E HA -0.221 4.129 4.350 -0.000 0.000 0.212 169 E C -0.555 176.071 176.600 0.043 0.000 1.039 169 E CA 2.489 58.884 56.400 -0.008 0.000 0.860 169 E CB -1.207 28.461 29.700 -0.054 0.000 0.776 169 E HN 0.282 nan 8.360 nan 0.000 0.467 170 P HA -0.191 nan 4.420 nan 0.000 0.216 170 P C 1.604 178.988 177.300 0.140 0.000 1.153 170 P CA 1.523 64.671 63.100 0.079 0.000 0.858 170 P CB -0.359 31.385 31.700 0.074 0.000 0.789 171 F N 2.068 122.071 119.950 0.090 0.000 2.126 171 F HA -0.175 4.352 4.527 -0.000 0.000 0.299 171 F C 2.109 177.936 175.800 0.045 0.000 1.096 171 F CA 1.651 59.718 58.000 0.112 0.000 1.255 171 F CB -0.725 38.406 39.000 0.218 0.000 0.997 171 F HN -0.182 nan 8.300 nan 0.000 0.479 172 K N -0.095 120.316 120.400 0.018 0.000 2.057 172 K HA -0.159 4.161 4.320 -0.000 0.000 0.207 172 K C 2.024 178.557 176.600 -0.112 0.000 1.049 172 K CA 1.328 57.557 56.287 -0.096 0.000 0.931 172 K CB -0.229 32.264 32.500 -0.012 0.000 0.714 172 K HN 0.127 nan 8.250 nan 0.000 0.440 173 K N 0.825 121.192 120.400 -0.054 0.000 2.209 173 K HA -0.108 4.212 4.320 -0.000 0.000 0.204 173 K C 1.981 178.536 176.600 -0.075 0.000 1.048 173 K CA 1.135 57.392 56.287 -0.050 0.000 0.940 173 K CB 0.082 32.571 32.500 -0.020 0.000 0.729 173 K HN 0.252 nan 8.250 nan 0.000 0.451 174 Q N 0.225 119.959 119.800 -0.110 0.000 2.302 174 Q HA -0.029 4.311 4.340 -0.000 0.000 0.202 174 Q C -0.123 175.760 176.000 -0.196 0.000 0.936 174 Q CA 0.706 56.434 55.803 -0.124 0.000 0.886 174 Q CB 0.008 28.703 28.738 -0.072 0.000 0.986 174 Q HN 0.445 nan 8.270 nan 0.000 0.487 175 N N 0.926 119.441 118.700 -0.309 0.000 2.750 175 N HA 0.165 4.905 4.740 -0.000 0.000 0.253 175 N C -2.724 172.659 175.510 -0.211 0.000 1.408 175 N CA -1.184 51.694 53.050 -0.286 0.000 0.780 175 N CB 1.113 39.341 38.487 -0.431 0.000 1.191 175 N HN -0.123 nan 8.380 nan 0.000 0.511 176 P HA 0.133 nan 4.420 nan 0.000 0.230 176 P C -0.881 176.384 177.300 -0.059 0.000 1.791 176 P CA 0.233 63.283 63.100 -0.082 0.000 1.020 176 P CB 0.330 31.994 31.700 -0.060 0.000 1.977 177 D N -0.655 119.707 120.400 -0.064 0.000 1.791 177 D HA 0.015 4.655 4.640 -0.000 0.000 0.548 177 D C 0.461 176.747 176.300 -0.024 0.000 0.912 177 D CA 0.004 53.983 54.000 -0.034 0.000 1.042 177 D CB -0.585 40.196 40.800 -0.031 0.000 1.657 177 D HN 0.090 nan 8.370 nan 0.000 0.524 178 I N 2.066 122.598 120.570 -0.064 0.000 2.720 178 I HA 0.241 4.411 4.170 -0.000 0.000 0.287 178 I C 0.295 176.412 176.117 -0.000 0.000 1.090 178 I CA -0.483 60.790 61.300 -0.046 0.000 1.384 178 I CB 1.448 39.381 38.000 -0.112 0.000 1.420 178 I HN -0.132 nan 8.210 nan 0.000 0.575 179 V N 6.184 126.135 119.914 0.061 0.000 2.769 179 V HA 0.579 4.699 4.120 -0.000 0.000 0.312 179 V C -0.299 175.896 176.094 0.169 0.000 1.061 179 V CA -0.644 61.720 62.300 0.107 0.000 0.931 179 V CB 1.952 33.831 31.823 0.094 0.000 1.010 179 V HN 0.435 nan 8.190 nan 0.000 0.433 180 I N 3.369 124.072 120.570 0.223 0.000 2.563 180 I HA 0.347 4.517 4.170 -0.000 0.000 0.285 180 I C -1.482 174.844 176.117 0.349 0.000 1.123 180 I CA -0.310 61.147 61.300 0.263 0.000 1.059 180 I CB 1.788 39.905 38.000 0.194 0.000 1.229 180 I HN 0.565 nan 8.210 nan 0.000 0.442 181 Y N 5.757 126.088 120.300 0.052 0.000 2.594 181 Y HA 0.219 4.769 4.550 -0.000 0.000 0.342 181 Y C 0.605 176.590 175.900 0.142 0.000 1.010 181 Y CA -1.015 57.107 58.100 0.037 0.000 1.270 181 Y CB 0.958 39.373 38.460 -0.074 0.000 1.125 181 Y HN 0.512 nan 8.280 nan 0.000 0.513 182 Q N 2.566 122.483 119.800 0.196 0.000 2.304 182 Q HA 0.125 4.465 4.340 -0.000 0.000 0.260 182 Q C -1.511 174.643 176.000 0.258 0.000 0.965 182 Q CA -0.380 55.536 55.803 0.188 0.000 0.898 182 Q CB 1.061 29.852 28.738 0.088 0.000 1.196 182 Q HN 0.652 nan 8.270 nan 0.000 0.402 183 Y N 5.169 125.544 120.300 0.125 0.000 2.535 183 Y HA 0.287 4.837 4.550 -0.000 0.000 0.341 183 Y C 0.210 176.164 175.900 0.091 0.000 1.041 183 Y CA -1.036 57.124 58.100 0.100 0.000 1.307 183 Y CB -0.090 38.437 38.460 0.111 0.000 1.095 183 Y HN 0.971 nan 8.280 nan 0.000 0.534 184 I N 0.577 121.012 120.570 -0.224 0.000 4.901 184 I HA -0.490 3.680 4.170 -0.000 0.000 0.038 184 I C 0.578 176.707 176.117 0.020 0.000 0.635 184 I CA 1.945 63.132 61.300 -0.188 0.000 0.242 184 I CB -0.595 37.141 38.000 -0.439 0.000 0.338 184 I HN 0.604 nan 8.210 nan 0.000 0.150 185 D N 1.616 121.965 120.400 -0.084 0.000 2.755 185 D HA 0.282 4.922 4.640 -0.000 0.000 0.257 185 D C -0.528 175.803 176.300 0.051 0.000 1.291 185 D CA 0.014 53.990 54.000 -0.039 0.000 0.836 185 D CB 0.153 40.798 40.800 -0.257 0.000 1.059 185 D HN 0.416 nan 8.370 nan 0.000 0.486 186 D N 0.616 121.087 120.400 0.118 0.000 2.970 186 D HA 0.263 4.903 4.640 -0.000 0.000 0.230 186 D C -1.111 175.317 176.300 0.214 0.000 1.276 186 D CA -0.460 53.638 54.000 0.164 0.000 0.910 186 D CB 1.863 42.790 40.800 0.211 0.000 1.590 186 D HN 0.081 nan 8.370 nan 0.000 0.551 187 L N 4.365 125.686 121.223 0.163 0.000 2.318 187 L HA 0.273 4.612 4.340 -0.000 0.000 0.277 187 L C -0.629 176.335 176.870 0.156 0.000 1.008 187 L CA -1.022 53.921 54.840 0.171 0.000 0.846 187 L CB 1.183 43.305 42.059 0.105 0.000 1.220 187 L HN 0.366 nan 8.230 nan 0.000 0.423 188 Y N 4.748 125.083 120.300 0.058 0.000 2.393 188 Y HA 0.467 5.017 4.550 -0.000 0.000 0.338 188 Y C -0.595 175.246 175.900 -0.099 0.000 1.029 188 Y CA -0.524 57.497 58.100 -0.132 0.000 1.239 188 Y CB 0.888 39.132 38.460 -0.360 0.000 1.170 188 Y HN 0.216 nan 8.280 nan 0.000 0.515 189 V N 6.029 125.897 119.914 -0.077 0.000 2.604 189 V HA 0.896 5.016 4.120 -0.000 0.000 0.305 189 V C 0.166 176.276 176.094 0.026 0.000 1.043 189 V CA -0.289 62.044 62.300 0.055 0.000 0.888 189 V CB 1.395 33.240 31.823 0.037 0.000 0.995 189 V HN 1.029 nan 8.190 nan 0.000 0.429 190 G N 2.140 111.044 108.800 0.172 0.000 2.692 190 G HA2 0.835 4.795 3.960 -0.000 0.000 0.291 190 G HA3 0.835 4.795 3.960 -0.000 0.000 0.291 190 G C -1.042 173.998 174.900 0.234 0.000 1.423 190 G CA -0.072 45.188 45.100 0.266 0.000 0.843 190 G HN 1.322 nan 8.290 nan 0.000 0.486 191 S N -0.651 115.226 115.700 0.295 0.000 2.680 191 S HA 0.291 4.761 4.470 -0.000 0.000 0.284 191 S C -1.535 173.183 174.600 0.196 0.000 1.055 191 S CA -0.832 57.477 58.200 0.181 0.000 0.849 191 S CB 1.724 64.989 63.200 0.108 0.000 1.068 191 S HN 0.396 nan 8.310 nan 0.000 0.453 192 D N 1.649 122.112 120.400 0.106 0.000 2.982 192 D HA 0.249 4.889 4.640 -0.000 0.000 0.238 192 D C -0.383 175.969 176.300 0.086 0.000 1.168 192 D CA 0.333 54.379 54.000 0.075 0.000 0.947 192 D CB -0.263 40.562 40.800 0.042 0.000 1.147 192 D HN 0.405 nan 8.370 nan 0.000 0.450 193 L N 0.824 122.139 121.223 0.154 0.000 2.307 193 L HA 0.203 4.543 4.340 -0.000 0.000 0.284 193 L C 0.864 177.807 176.870 0.122 0.000 1.023 193 L CA -0.776 54.147 54.840 0.139 0.000 0.810 193 L CB 1.726 43.882 42.059 0.161 0.000 1.231 193 L HN -0.134 nan 8.230 nan 0.000 0.423 194 E N 3.147 123.392 120.200 0.075 0.000 2.868 194 E HA -0.151 4.199 4.350 -0.000 0.000 0.246 194 E C 1.299 177.945 176.600 0.077 0.000 0.962 194 E CA 0.051 56.484 56.400 0.055 0.000 0.955 194 E CB 0.603 30.329 29.700 0.042 0.000 0.903 194 E HN 0.561 nan 8.360 nan 0.000 0.524 195 I N 1.861 122.459 120.570 0.047 0.000 2.271 195 I HA -0.351 3.819 4.170 -0.000 0.000 0.252 195 I C 1.733 177.909 176.117 0.099 0.000 1.043 195 I CA 2.419 63.750 61.300 0.051 0.000 1.337 195 I CB -0.739 37.270 38.000 0.014 0.000 1.024 195 I HN 0.526 nan 8.210 nan 0.000 0.437 196 G N -0.655 108.191 108.800 0.076 0.000 2.404 196 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.214 196 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.214 196 G C 1.516 176.468 174.900 0.087 0.000 1.189 196 G CA 0.893 46.036 45.100 0.072 0.000 0.789 196 G HN 0.502 nan 8.290 nan 0.000 0.533 197 Q N 0.019 119.870 119.800 0.086 0.000 2.096 197 Q HA -0.162 4.178 4.340 -0.000 0.000 0.204 197 Q C 2.182 178.242 176.000 0.100 0.000 0.982 197 Q CA 1.731 57.580 55.803 0.078 0.000 0.850 197 Q CB -0.786 27.992 28.738 0.066 0.000 0.901 197 Q HN 0.678 nan 8.270 nan 0.000 0.422 198 H N -0.694 118.398 119.070 0.037 0.000 2.353 198 H HA -0.203 4.353 4.556 -0.000 0.000 0.298 198 H C 2.015 177.375 175.328 0.052 0.000 1.103 198 H CA 2.573 58.647 56.048 0.044 0.000 1.293 198 H CB 0.247 30.033 29.762 0.041 0.000 1.372 198 H HN 0.325 nan 8.280 nan 0.000 0.501 199 R N 0.451 121.059 120.500 0.181 0.000 2.083 199 R HA -0.152 4.187 4.340 -0.000 0.000 0.237 199 R C 2.664 179.005 176.300 0.070 0.000 1.137 199 R CA 2.379 58.553 56.100 0.122 0.000 0.951 199 R CB -2.104 28.258 30.300 0.103 0.000 0.851 199 R HN 0.732 nan 8.270 nan 0.000 0.434 200 T N -0.659 113.932 114.554 0.061 0.000 2.759 200 T HA -0.153 4.197 4.350 -0.000 0.000 0.269 200 T C 1.865 176.599 174.700 0.057 0.000 1.042 200 T CA 1.247 63.379 62.100 0.052 0.000 1.140 200 T CB -0.063 68.834 68.868 0.049 0.000 0.864 200 T HN 0.396 nan 8.240 nan 0.000 0.455 201 K N 1.075 121.500 120.400 0.041 0.000 1.984 201 K HA 0.106 4.426 4.320 -0.000 0.000 0.209 201 K C 2.425 179.091 176.600 0.110 0.000 1.046 201 K CA 0.807 57.141 56.287 0.079 0.000 0.934 201 K CB -0.691 31.803 32.500 -0.010 0.000 0.717 201 K HN 0.340 nan 8.250 nan 0.000 0.438 202 I N 1.952 122.535 120.570 0.022 0.000 2.113 202 I HA -0.328 3.842 4.170 -0.000 0.000 0.242 202 I C 2.759 178.886 176.117 0.017 0.000 1.064 202 I CA 2.351 63.665 61.300 0.023 0.000 1.320 202 I CB -1.637 36.377 38.000 0.023 0.000 1.028 202 I HN 0.350 nan 8.210 nan 0.000 0.406 203 E N 1.054 121.271 120.200 0.029 0.000 2.058 203 E HA -0.311 4.039 4.350 -0.000 0.000 0.194 203 E C 2.015 178.621 176.600 0.011 0.000 0.997 203 E CA 1.720 58.132 56.400 0.020 0.000 0.801 203 E CB -0.961 28.759 29.700 0.033 0.000 0.746 203 E HN 0.659 nan 8.360 nan 0.000 0.450 204 E N -0.247 119.982 120.200 0.049 0.000 2.065 204 E HA -0.202 4.148 4.350 -0.000 0.000 0.201 204 E C 2.050 178.612 176.600 -0.064 0.000 1.016 204 E CA 1.751 58.196 56.400 0.074 0.000 0.818 204 E CB -0.373 29.450 29.700 0.206 0.000 0.749 204 E HN 0.460 nan 8.360 nan 0.000 0.453 205 L N 1.074 122.169 121.223 -0.213 0.000 1.955 205 L HA -0.191 4.149 4.340 -0.000 0.000 0.213 205 L C 2.257 178.917 176.870 -0.351 0.000 1.072 205 L CA 2.117 56.527 54.840 -0.716 0.000 0.755 205 L CB -0.741 41.010 42.059 -0.514 0.000 0.888 205 L HN 0.084 nan 8.230 nan 0.000 0.432 206 R N -0.722 119.678 120.500 -0.167 0.000 2.140 206 R HA -0.289 4.051 4.340 -0.000 0.000 0.250 206 R C 2.378 178.648 176.300 -0.051 0.000 1.150 206 R CA 2.200 58.247 56.100 -0.088 0.000 0.966 206 R CB -0.658 29.622 30.300 -0.033 0.000 0.869 206 R HN 0.626 nan 8.270 nan 0.000 0.445 207 Q N -0.375 119.409 119.800 -0.026 0.000 2.050 207 Q HA -0.230 4.110 4.340 -0.000 0.000 0.202 207 Q C 2.210 178.255 176.000 0.074 0.000 0.980 207 Q CA 1.787 57.603 55.803 0.021 0.000 0.840 207 Q CB -0.119 28.636 28.738 0.029 0.000 0.898 207 Q HN 0.404 nan 8.270 nan 0.000 0.424 208 H N 0.477 119.498 119.070 -0.082 0.000 2.270 208 H HA -0.112 4.444 4.556 -0.000 0.000 0.299 208 H C 1.902 177.254 175.328 0.039 0.000 1.077 208 H CA 1.884 57.914 56.048 -0.031 0.000 1.294 208 H CB -0.645 29.012 29.762 -0.176 0.000 1.371 208 H HN 0.298 nan 8.280 nan 0.000 0.491 209 L N -0.237 120.864 121.223 -0.203 0.000 2.013 209 L HA -0.191 4.149 4.340 -0.000 0.000 0.212 209 L C 2.864 179.749 176.870 0.025 0.000 1.073 209 L CA 1.545 56.259 54.840 -0.210 0.000 0.753 209 L CB -0.401 41.527 42.059 -0.218 0.000 0.890 209 L HN 0.335 nan 8.230 nan 0.000 0.432 210 L N -0.367 120.877 121.223 0.035 0.000 2.093 210 L HA -0.256 4.084 4.340 -0.000 0.000 0.208 210 L C 3.151 180.076 176.870 0.092 0.000 1.085 210 L CA 1.564 56.439 54.840 0.059 0.000 0.755 210 L CB -0.387 41.693 42.059 0.034 0.000 0.904 210 L HN 0.214 nan 8.230 nan 0.000 0.435 211 R N -0.654 119.922 120.500 0.127 0.000 2.105 211 R HA -0.267 4.073 4.340 -0.000 0.000 0.239 211 R C 1.518 177.853 176.300 0.058 0.000 1.135 211 R CA 2.098 58.257 56.100 0.098 0.000 0.967 211 R CB -2.239 28.148 30.300 0.144 0.000 0.861 211 R HN 0.684 nan 8.270 nan 0.000 0.442 212 W N -0.719 120.616 121.300 0.059 0.000 3.292 212 W HA 0.360 5.020 4.660 -0.000 0.000 0.263 212 W C 1.547 178.076 176.519 0.017 0.000 1.318 212 W CA 1.098 58.467 57.345 0.039 0.000 1.663 212 W CB 0.306 29.784 29.460 0.029 0.000 1.114 212 W HN 0.651 nan 8.180 nan 0.000 0.706 213 G N -0.931 107.959 108.800 0.151 0.000 2.195 213 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.224 213 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.224 213 G C -0.094 174.882 174.900 0.126 0.000 0.990 213 G CA -0.453 44.715 45.100 0.114 0.000 0.639 213 G HN -0.022 nan 8.290 nan 0.000 0.514 214 L N 3.520 124.823 121.223 0.134 0.000 2.334 214 L HA 0.362 4.702 4.340 -0.000 0.000 0.286 214 L C 1.523 178.436 176.870 0.073 0.000 1.108 214 L CA 0.698 55.605 54.840 0.111 0.000 0.875 214 L CB -0.431 41.681 42.059 0.089 0.000 1.246 214 L HN 0.491 nan 8.230 nan 0.000 0.439 215 T N -0.163 114.433 114.554 0.070 0.000 2.946 215 T HA 0.091 4.441 4.350 -0.000 0.000 0.311 215 T C 0.595 175.317 174.700 0.037 0.000 1.063 215 T CA -0.330 61.798 62.100 0.047 0.000 1.139 215 T CB 0.202 69.094 68.868 0.041 0.000 0.994 215 T HN 0.552 nan 8.240 nan 0.000 0.547 216 T N 4.748 119.317 114.554 0.025 0.000 3.375 216 T HA 0.376 4.726 4.350 -0.000 0.000 0.363 216 T C -2.398 172.316 174.700 0.023 0.000 1.837 216 T CA -0.957 61.155 62.100 0.019 0.000 1.445 216 T CB 0.041 68.911 68.868 0.004 0.000 1.089 216 T HN 0.556 nan 8.240 nan 0.000 0.722 217 P HA 0.009 nan 4.420 nan 0.000 0.266 217 P C 0.836 178.153 177.300 0.029 0.000 1.186 217 P CA -0.151 62.965 63.100 0.025 0.000 0.767 217 P CB 0.566 32.281 31.700 0.025 0.000 0.820 218 D N 1.126 121.540 120.400 0.023 0.000 2.411 218 D HA -0.121 4.519 4.640 -0.000 0.000 0.226 218 D C 0.221 176.536 176.300 0.026 0.000 0.988 218 D CA 0.837 54.850 54.000 0.022 0.000 0.938 218 D CB -0.047 40.762 40.800 0.015 0.000 0.883 218 D HN 0.162 nan 8.370 nan 0.000 0.525 219 K N 0.811 121.233 120.400 0.038 0.000 3.277 219 K HA 0.058 4.378 4.320 -0.000 0.000 0.280 219 K C 0.314 176.977 176.600 0.106 0.000 1.182 219 K CA -0.072 56.247 56.287 0.054 0.000 1.219 219 K CB -0.038 32.500 32.500 0.064 0.000 1.373 219 K HN 0.062 nan 8.250 nan 0.000 0.392 220 K N 0.252 120.699 120.400 0.078 0.000 2.087 220 K HA 0.185 4.505 4.320 -0.000 0.000 0.255 220 K C -0.861 175.802 176.600 0.104 0.000 0.988 220 K CA -0.628 55.727 56.287 0.114 0.000 0.915 220 K CB 0.553 33.088 32.500 0.059 0.000 1.043 220 K HN 0.181 nan 8.250 nan 0.000 0.457 221 H N 1.305 120.335 119.070 -0.066 0.000 2.488 221 H HA 0.252 4.808 4.556 -0.000 0.000 0.322 221 H C 0.554 175.883 175.328 0.002 0.000 1.078 221 H CA 0.203 56.206 56.048 -0.076 0.000 1.260 221 H CB 2.000 31.565 29.762 -0.327 0.000 1.425 221 H HN 0.806 nan 8.280 nan 0.000 0.471 222 Q N 1.998 121.912 119.800 0.191 0.000 2.577 222 Q HA 0.212 4.552 4.340 -0.000 0.000 0.242 222 Q C 1.310 177.464 176.000 0.258 0.000 0.818 222 Q CA 0.477 56.405 55.803 0.208 0.000 0.962 222 Q CB -0.460 28.338 28.738 0.100 0.000 1.272 222 Q HN 0.646 nan 8.270 nan 0.000 0.593 223 K N 2.771 123.281 120.400 0.183 0.000 2.036 223 K HA 0.053 4.373 4.320 -0.000 0.000 0.246 223 K C 0.792 177.398 176.600 0.010 0.000 1.148 223 K CA 0.656 56.993 56.287 0.083 0.000 1.200 223 K CB -1.465 31.062 32.500 0.046 0.000 0.964 223 K HN 0.684 nan 8.250 nan 0.000 0.364 224 E N 2.242 122.368 120.200 -0.123 0.000 2.063 224 E HA -0.235 4.115 4.350 -0.000 0.000 0.221 224 E C -0.841 175.271 176.600 -0.813 0.000 1.052 224 E CA 2.367 58.436 56.400 -0.553 0.000 0.891 224 E CB -0.695 28.833 29.700 -0.287 0.000 0.792 224 E HN 0.527 nan 8.360 nan 0.000 0.482 225 P HA -0.131 nan 4.420 nan 0.000 0.217 225 P C -2.150 174.778 177.300 -0.620 0.000 1.162 225 P CA 2.168 65.021 63.100 -0.411 0.000 0.901 225 P CB -0.888 30.742 31.700 -0.118 0.000 0.793 226 P HA 0.187 nan 4.420 nan 0.000 0.294 226 P C -1.165 176.272 177.300 0.228 0.000 1.389 226 P CA -0.096 62.926 63.100 -0.129 0.000 0.875 226 P CB 0.351 32.037 31.700 -0.024 0.000 1.018 227 F N 3.430 123.432 119.950 0.087 0.000 2.366 227 F HA 0.266 4.793 4.527 -0.000 0.000 0.366 227 F C 0.688 176.661 175.800 0.288 0.000 1.096 227 F CA -1.866 56.275 58.000 0.235 0.000 1.060 227 F CB 1.464 40.525 39.000 0.101 0.000 1.282 227 F HN 0.202 nan 8.300 nan 0.000 0.450 228 L N 5.172 126.722 121.223 0.545 0.000 2.515 228 L HA 0.090 4.430 4.340 -0.000 0.000 0.281 228 L C -1.462 175.583 176.870 0.292 0.000 1.131 228 L CA 0.122 55.201 54.840 0.399 0.000 0.905 228 L CB 0.043 42.382 42.059 0.467 0.000 1.246 228 L HN 0.790 nan 8.230 nan 0.000 0.463 229 W N 7.913 129.306 121.300 0.156 0.000 2.968 229 W HA 0.329 4.989 4.660 -0.000 0.000 0.337 229 W C 0.145 176.788 176.519 0.207 0.000 1.060 229 W CA -0.818 56.602 57.345 0.125 0.000 1.240 229 W CB 1.014 30.558 29.460 0.140 0.000 1.370 229 W HN 0.494 nan 8.180 nan 0.000 0.459 230 M N 5.286 124.438 119.600 -0.747 0.000 2.642 230 M HA -0.301 4.179 4.480 -0.000 0.000 0.184 230 M C 1.213 177.343 176.300 -0.283 0.000 0.572 230 M CA 2.219 57.073 55.300 -0.743 0.000 0.537 230 M CB -1.867 29.821 32.600 -1.520 0.000 1.960 230 M HN 1.477 nan 8.290 nan 0.000 0.659 231 G N -1.853 106.884 108.800 -0.105 0.000 2.254 231 G HA2 -0.292 3.667 3.960 -0.000 0.000 0.225 231 G HA3 -0.292 3.667 3.960 -0.000 0.000 0.225 231 G C -0.248 174.674 174.900 0.037 0.000 1.003 231 G CA 0.187 45.258 45.100 -0.049 0.000 0.622 231 G HN 0.504 nan 8.290 nan 0.000 0.507 232 Y N 1.683 122.014 120.300 0.052 0.000 2.319 232 Y HA 0.528 5.078 4.550 -0.000 0.000 0.328 232 Y C 0.832 176.951 175.900 0.365 0.000 1.133 232 Y CA -0.501 57.749 58.100 0.249 0.000 1.265 232 Y CB 0.925 39.544 38.460 0.266 0.000 1.218 232 Y HN 0.228 nan 8.280 nan 0.000 0.508 233 E N 4.221 124.727 120.200 0.511 0.000 2.070 233 E HA 0.183 4.533 4.350 -0.000 0.000 0.282 233 E C -1.288 175.620 176.600 0.513 0.000 1.104 233 E CA -0.309 56.346 56.400 0.423 0.000 0.876 233 E CB 0.243 30.140 29.700 0.328 0.000 1.055 233 E HN 0.640 nan 8.360 nan 0.000 0.401 234 L N 5.943 127.468 121.223 0.503 0.000 2.278 234 L HA 0.235 4.575 4.340 -0.000 0.000 0.287 234 L C -0.012 177.035 176.870 0.295 0.000 1.072 234 L CA -0.262 54.893 54.840 0.524 0.000 0.819 234 L CB 0.478 42.854 42.059 0.529 0.000 1.176 234 L HN 0.599 nan 8.230 nan 0.000 0.435 235 H N 4.613 123.875 119.070 0.321 0.000 2.651 235 H HA 0.318 4.874 4.556 -0.000 0.000 0.353 235 H C -1.858 173.525 175.328 0.092 0.000 1.178 235 H CA -1.889 54.218 56.048 0.098 0.000 1.224 235 H CB 2.058 31.833 29.762 0.021 0.000 1.702 235 H HN 0.331 nan 8.280 nan 0.000 0.550 236 P HA -0.081 nan 4.420 nan 0.000 0.234 236 P C 0.355 177.678 177.300 0.039 0.000 1.162 236 P CA 1.378 64.531 63.100 0.088 0.000 0.759 236 P CB 0.492 32.204 31.700 0.020 0.000 0.813 237 D N -3.931 116.381 120.400 -0.148 0.000 2.107 237 D HA 0.064 4.704 4.640 -0.000 0.000 0.458 237 D C 0.564 176.416 176.300 -0.746 0.000 0.958 237 D CA 0.439 54.169 54.000 -0.450 0.000 0.966 237 D CB 0.801 41.468 40.800 -0.222 0.000 1.526 237 D HN -0.003 nan 8.370 nan 0.000 0.505 238 K N 0.934 121.068 120.400 -0.443 0.000 2.443 238 K HA 0.661 4.981 4.320 -0.000 0.000 0.251 238 K C -1.115 175.597 176.600 0.186 0.000 0.972 238 K CA -0.857 55.292 56.287 -0.229 0.000 0.833 238 K CB 1.444 33.790 32.500 -0.258 0.000 1.317 238 K HN 0.203 nan 8.250 nan 0.000 0.441 239 W N 0.459 121.904 121.300 0.241 0.000 2.864 239 W HA 0.813 5.473 4.660 -0.000 0.000 0.343 239 W C -0.952 175.760 176.519 0.322 0.000 1.109 239 W CA -0.667 56.916 57.345 0.397 0.000 1.192 239 W CB 0.932 30.702 29.460 0.517 0.000 1.426 239 W HN 0.928 nan 8.180 nan 0.000 0.529 240 T N -0.267 114.660 114.554 0.622 0.000 2.831 240 T HA 0.296 4.646 4.350 -0.000 0.000 0.333 240 T C -0.988 173.921 174.700 0.349 0.000 1.684 240 T CA -0.796 61.489 62.100 0.308 0.000 1.049 240 T CB 1.140 70.069 68.868 0.102 0.000 1.518 240 T HN 0.834 nan 8.240 nan 0.000 0.491 241 V N -0.729 119.284 119.914 0.165 0.000 2.225 241 V HA 0.737 4.857 4.120 -0.000 0.000 0.264 241 V C 1.660 177.816 176.094 0.103 0.000 1.067 241 V CA 0.172 62.544 62.300 0.119 0.000 0.903 241 V CB -0.398 31.440 31.823 0.024 0.000 1.136 241 V HN 1.169 nan 8.190 nan 0.000 0.456 242 Q N 4.119 123.998 119.800 0.131 0.000 2.197 242 Q HA -0.167 4.172 4.340 -0.000 0.000 0.211 242 Q C 0.235 176.313 176.000 0.130 0.000 0.993 242 Q CA 2.584 58.463 55.803 0.127 0.000 0.883 242 Q CB -2.519 26.298 28.738 0.133 0.000 0.916 242 Q HN 0.860 nan 8.270 nan 0.000 0.418 243 P HA 0.080 nan 4.420 nan 0.000 0.261 243 P C 0.355 177.745 177.300 0.150 0.000 1.288 243 P CA 0.932 64.105 63.100 0.121 0.000 0.751 243 P CB -1.581 30.182 31.700 0.105 0.000 1.103 244 I N -0.504 120.173 120.570 0.178 0.000 2.749 244 I HA 0.307 4.477 4.170 -0.000 0.000 0.283 244 I C 0.990 177.216 176.117 0.183 0.000 0.993 244 I CA -0.338 61.102 61.300 0.233 0.000 2.393 244 I CB -1.500 36.706 38.000 0.343 0.000 1.549 244 I HN 0.008 nan 8.210 nan 0.000 1.045 245 V N 3.324 123.320 119.914 0.136 0.000 2.716 245 V HA 0.916 5.036 4.120 -0.000 0.000 0.304 245 V C -0.095 176.051 176.094 0.086 0.000 1.053 245 V CA -0.891 61.466 62.300 0.094 0.000 0.984 245 V CB 1.645 33.512 31.823 0.072 0.000 1.021 245 V HN 1.069 nan 8.190 nan 0.000 0.467 246 L N 1.688 122.947 121.223 0.061 0.000 2.393 246 L HA 1.037 5.377 4.340 -0.000 0.000 0.260 246 L C -1.610 175.279 176.870 0.033 0.000 1.002 246 L CA -1.561 53.309 54.840 0.051 0.000 0.818 246 L CB 1.237 43.325 42.059 0.048 0.000 1.369 246 L HN 0.668 nan 8.230 nan 0.000 0.412 247 P HA 0.731 nan 4.420 nan 0.000 0.292 247 P C -0.301 177.008 177.300 0.015 0.000 1.283 247 P CA 0.524 63.635 63.100 0.018 0.000 0.835 247 P CB 1.753 33.462 31.700 0.015 0.000 1.017 248 E N 0.003 120.209 120.200 0.010 0.000 2.555 248 E HA 0.287 4.637 4.350 -0.000 0.000 0.209 248 E C 1.944 178.547 176.600 0.004 0.000 0.847 248 E CA 1.281 57.685 56.400 0.007 0.000 1.438 248 E CB -0.744 28.959 29.700 0.005 0.000 1.420 248 E HN 0.647 nan 8.360 nan 0.000 0.755 249 K N 0.684 121.087 120.400 0.004 0.000 2.057 249 K HA -0.057 4.263 4.320 -0.000 0.000 0.207 249 K C 2.232 178.833 176.600 0.002 0.000 1.049 249 K CA 2.226 58.514 56.287 0.002 0.000 0.931 249 K CB -1.769 30.733 32.500 0.003 0.000 0.714 249 K HN 0.673 nan 8.250 nan 0.000 0.440 250 D N 0.007 120.408 120.400 0.002 0.000 2.117 250 D HA -0.033 4.606 4.640 -0.000 0.000 0.198 250 D C 1.400 177.701 176.300 0.001 0.000 0.982 250 D CA 1.338 55.339 54.000 0.001 0.000 0.828 250 D CB -0.837 39.964 40.800 0.001 0.000 0.967 250 D HN 0.640 nan 8.370 nan 0.000 0.464 251 S N -1.728 113.973 115.700 0.002 0.000 3.594 251 S HA 0.101 4.571 4.470 -0.000 0.000 0.157 251 S C 0.528 175.128 174.600 0.001 0.000 0.330 251 S CA 1.924 60.125 58.200 0.002 0.000 1.475 251 S CB -1.920 61.281 63.200 0.002 0.000 1.120 251 S HN 1.329 nan 8.310 nan 0.000 0.285 252 W N -0.454 120.846 121.300 0.001 0.000 4.888 252 W HA 0.388 5.048 4.660 -0.000 0.000 0.158 252 W C 0.705 177.224 176.519 -0.000 0.000 3.440 252 W CA 0.460 57.805 57.345 0.000 0.000 1.544 252 W CB -0.717 28.742 29.460 -0.001 0.000 1.678 252 W HN 0.958 nan 8.180 nan 0.000 0.781 253 T N 2.339 116.893 114.554 -0.001 0.000 2.934 253 T HA 0.495 4.844 4.350 -0.000 0.000 0.306 253 T C 1.667 176.366 174.700 -0.000 0.000 1.042 253 T CA 1.938 64.037 62.100 -0.001 0.000 1.145 253 T CB 0.387 69.254 68.868 -0.002 0.000 0.982 253 T HN 2.003 nan 8.240 nan 0.000 0.544 254 V N 1.698 121.612 119.914 -0.000 0.000 2.311 254 V HA -0.377 3.743 4.120 -0.000 0.000 0.256 254 V C 2.084 178.179 176.094 0.002 0.000 1.077 254 V CA 2.726 65.027 62.300 0.001 0.000 1.067 254 V CB -1.284 30.539 31.823 0.000 0.000 0.659 254 V HN 0.877 nan 8.190 nan 0.000 0.451 255 N N 1.574 120.274 118.700 -0.000 0.000 2.036 255 N HA -0.188 4.551 4.740 -0.000 0.000 0.195 255 N C 1.458 176.969 175.510 0.002 0.000 1.037 255 N CA 1.992 55.042 53.050 -0.001 0.000 0.855 255 N CB -0.767 37.718 38.487 -0.004 0.000 1.033 255 N HN 0.648 nan 8.380 nan 0.000 0.423 256 D N 0.529 120.930 120.400 0.002 0.000 2.158 256 D HA -0.144 4.496 4.640 -0.000 0.000 0.197 256 D C 1.809 178.114 176.300 0.008 0.000 0.995 256 D CA 0.823 54.825 54.000 0.004 0.000 0.846 256 D CB -0.308 40.494 40.800 0.003 0.000 0.941 256 D HN 0.246 nan 8.370 nan 0.000 0.456 257 I N 1.094 121.668 120.570 0.007 0.000 2.110 257 I HA -0.219 3.951 4.170 -0.000 0.000 0.236 257 I C 2.408 178.533 176.117 0.013 0.000 1.068 257 I CA 1.103 62.409 61.300 0.009 0.000 1.333 257 I CB -1.563 36.441 38.000 0.007 0.000 1.054 257 I HN 0.073 nan 8.210 nan 0.000 0.402 258 Q N 0.497 120.304 119.800 0.012 0.000 2.248 258 Q HA -0.232 4.108 4.340 -0.000 0.000 0.208 258 Q C 2.216 178.227 176.000 0.018 0.000 0.984 258 Q CA 1.474 57.285 55.803 0.014 0.000 0.875 258 Q CB -0.177 28.566 28.738 0.009 0.000 0.910 258 Q HN 0.471 nan 8.270 nan 0.000 0.433 259 K N 0.484 120.893 120.400 0.015 0.000 1.967 259 K HA -0.176 4.144 4.320 -0.000 0.000 0.212 259 K C 2.025 178.644 176.600 0.032 0.000 1.044 259 K CA 1.071 57.368 56.287 0.017 0.000 0.942 259 K CB -0.267 32.239 32.500 0.011 0.000 0.726 259 K HN 0.078 nan 8.250 nan 0.000 0.440 260 L N 1.458 122.700 121.223 0.030 0.000 1.978 260 L HA -0.257 4.083 4.340 -0.000 0.000 0.218 260 L C 2.113 179.014 176.870 0.052 0.000 1.075 260 L CA 1.692 56.555 54.840 0.040 0.000 0.767 260 L CB -0.814 41.261 42.059 0.027 0.000 0.890 260 L HN 0.094 nan 8.230 nan 0.000 0.434 261 V N 0.370 120.309 119.914 0.043 0.000 2.233 261 V HA -0.422 3.698 4.120 -0.000 0.000 0.256 261 V C 2.572 178.710 176.094 0.073 0.000 1.069 261 V CA 2.367 64.696 62.300 0.048 0.000 1.054 261 V CB -1.931 29.915 31.823 0.038 0.000 0.664 261 V HN 0.713 nan 8.190 nan 0.000 0.453 262 G N -0.462 108.384 108.800 0.077 0.000 2.446 262 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.217 262 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.217 262 G C 1.551 176.555 174.900 0.172 0.000 1.168 262 G CA 0.924 46.090 45.100 0.110 0.000 0.771 262 G HN 0.413 nan 8.290 nan 0.000 0.551 263 K N 0.586 121.076 120.400 0.150 0.000 2.077 263 K HA -0.141 4.179 4.320 -0.000 0.000 0.213 263 K C 2.499 179.244 176.600 0.241 0.000 1.051 263 K CA 1.115 57.528 56.287 0.208 0.000 0.929 263 K CB -0.956 31.628 32.500 0.139 0.000 0.715 263 K HN 0.436 nan 8.250 nan 0.000 0.451 264 L N 0.966 122.284 121.223 0.158 0.000 1.943 264 L HA -0.239 4.101 4.340 -0.000 0.000 0.215 264 L C 2.239 179.196 176.870 0.146 0.000 1.074 264 L CA 1.425 56.342 54.840 0.129 0.000 0.759 264 L CB -0.968 41.139 42.059 0.080 0.000 0.888 264 L HN 0.151 nan 8.230 nan 0.000 0.433 265 N N -0.265 118.521 118.700 0.144 0.000 2.089 265 N HA -0.296 4.444 4.740 -0.000 0.000 0.198 265 N C 1.462 177.089 175.510 0.195 0.000 1.017 265 N CA 2.011 55.152 53.050 0.152 0.000 0.880 265 N CB -0.468 38.115 38.487 0.160 0.000 1.042 265 N HN 0.567 nan 8.380 nan 0.000 0.446 266 W N 1.412 122.754 121.300 0.070 0.000 2.378 266 W HA -0.091 4.568 4.660 -0.000 0.000 0.313 266 W C 1.800 178.374 176.519 0.091 0.000 1.197 266 W CA 1.562 58.947 57.345 0.066 0.000 1.304 266 W CB -0.323 29.159 29.460 0.037 0.000 1.148 266 W HN 0.070 nan 8.180 nan 0.000 0.494 267 A N 0.548 123.323 122.820 -0.074 0.000 2.248 267 A HA -0.085 4.235 4.320 -0.000 0.000 0.210 267 A C 1.675 179.243 177.584 -0.026 0.000 1.174 267 A CA 1.444 53.426 52.037 -0.092 0.000 0.750 267 A CB -0.834 18.331 19.000 0.275 0.000 0.780 267 A HN 0.277 nan 8.150 nan 0.000 0.478 268 S N 0.133 115.817 115.700 -0.026 0.000 2.603 268 S HA -0.114 4.356 4.470 -0.000 0.000 0.229 268 S C 1.567 176.177 174.600 0.016 0.000 0.972 268 S CA 0.863 59.079 58.200 0.025 0.000 0.935 268 S CB -0.186 63.036 63.200 0.037 0.000 0.769 268 S HN 0.782 nan 8.310 nan 0.000 0.536 269 Q N 0.935 120.699 119.800 -0.061 0.000 2.079 269 Q HA 0.017 4.357 4.340 -0.000 0.000 0.200 269 Q C 1.903 178.005 176.000 0.170 0.000 0.974 269 Q CA 1.419 57.281 55.803 0.098 0.000 0.840 269 Q CB -0.241 28.560 28.738 0.105 0.000 0.898 269 Q HN 0.817 nan 8.270 nan 0.000 0.430 270 I N -6.268 114.283 120.570 -0.031 0.000 4.779 270 I HA 0.183 4.353 4.170 -0.000 0.000 0.339 270 I C -0.458 175.595 176.117 -0.106 0.000 1.293 270 I CA -0.617 60.611 61.300 -0.119 0.000 1.324 270 I CB 0.468 38.236 38.000 -0.387 0.000 1.424 270 I HN -0.168 nan 8.210 nan 0.000 0.489 271 Y N 6.596 126.856 120.300 -0.067 0.000 2.584 271 Y HA 0.343 4.892 4.550 -0.000 0.000 0.351 271 Y C -1.924 173.943 175.900 -0.055 0.000 1.030 271 Y CA -3.274 54.786 58.100 -0.066 0.000 1.332 271 Y CB -0.319 38.112 38.460 -0.048 0.000 1.148 271 Y HN 0.052 nan 8.280 nan 0.000 0.528 272 P HA -0.075 nan 4.420 nan 0.000 0.263 272 P C 0.461 177.771 177.300 0.016 0.000 1.175 272 P CA 0.341 63.453 63.100 0.021 0.000 0.761 272 P CB 0.667 32.345 31.700 -0.037 0.000 0.794 273 G N 3.033 111.833 108.800 -0.001 0.000 2.903 273 G HA2 -0.108 3.852 3.960 -0.000 0.000 0.332 273 G HA3 -0.108 3.852 3.960 -0.000 0.000 0.332 273 G C -0.335 174.556 174.900 -0.014 0.000 0.190 273 G CA -0.072 45.018 45.100 -0.017 0.000 1.231 273 G HN 0.459 nan 8.290 nan 0.000 0.363 274 I N 1.320 121.883 120.570 -0.012 0.000 3.042 274 I HA 0.754 4.924 4.170 -0.000 0.000 0.310 274 I C 0.343 176.452 176.117 -0.013 0.000 1.117 274 I CA -0.526 60.767 61.300 -0.012 0.000 1.003 274 I CB 2.171 40.171 38.000 -0.001 0.000 1.228 274 I HN 0.687 nan 8.210 nan 0.000 0.443 275 K N 2.560 122.951 120.400 -0.016 0.000 2.404 275 K HA 0.608 4.928 4.320 -0.000 0.000 0.257 275 K C -0.003 176.592 176.600 -0.008 0.000 1.026 275 K CA -0.442 55.835 56.287 -0.017 0.000 0.951 275 K CB 0.662 33.145 32.500 -0.028 0.000 1.203 275 K HN 0.513 nan 8.250 nan 0.000 0.446 276 V N 1.637 121.551 119.914 0.001 0.000 2.878 276 V HA -0.090 4.030 4.120 -0.000 0.000 0.250 276 V C 2.571 178.667 176.094 0.002 0.000 1.075 276 V CA 1.373 63.678 62.300 0.008 0.000 1.096 276 V CB -0.313 31.524 31.823 0.023 0.000 0.724 276 V HN 0.942 nan 8.190 nan 0.000 0.467 277 R N 0.776 121.274 120.500 -0.004 0.000 2.140 277 R HA -0.335 4.005 4.340 -0.000 0.000 0.250 277 R C 2.424 178.719 176.300 -0.008 0.000 1.150 277 R CA 2.832 58.927 56.100 -0.008 0.000 0.966 277 R CB -0.469 29.821 30.300 -0.017 0.000 0.869 277 R HN 0.611 nan 8.270 nan 0.000 0.445 278 Q N 0.425 120.218 119.800 -0.011 0.000 2.029 278 Q HA -0.206 4.134 4.340 -0.000 0.000 0.209 278 Q C 2.210 178.206 176.000 -0.006 0.000 0.999 278 Q CA 2.224 58.020 55.803 -0.011 0.000 0.857 278 Q CB -0.901 27.828 28.738 -0.014 0.000 0.926 278 Q HN 0.446 nan 8.270 nan 0.000 0.415 279 L N 0.521 121.742 121.223 -0.003 0.000 2.072 279 L HA -0.017 4.323 4.340 -0.000 0.000 0.205 279 L C 2.749 179.621 176.870 0.003 0.000 1.079 279 L CA 1.718 56.558 54.840 0.001 0.000 0.752 279 L CB -0.709 41.353 42.059 0.004 0.000 0.906 279 L HN 0.336 nan 8.230 nan 0.000 0.436 280 S N 0.007 115.710 115.700 0.005 0.000 2.392 280 S HA -0.317 4.153 4.470 -0.000 0.000 0.232 280 S C 2.413 177.016 174.600 0.004 0.000 1.041 280 S CA 1.962 60.166 58.200 0.007 0.000 1.026 280 S CB -0.533 62.671 63.200 0.007 0.000 0.845 280 S HN 0.582 nan 8.310 nan 0.000 0.465 281 K N 1.117 121.517 120.400 0.000 0.000 2.020 281 K HA 0.019 4.339 4.320 -0.000 0.000 0.212 281 K C 2.398 178.998 176.600 0.001 0.000 1.050 281 K CA 1.903 58.189 56.287 -0.001 0.000 0.929 281 K CB -2.010 30.488 32.500 -0.003 0.000 0.714 281 K HN 0.529 nan 8.250 nan 0.000 0.443 282 L N 0.546 121.769 121.223 0.000 0.000 2.450 282 L HA 0.427 4.767 4.340 -0.000 0.000 0.224 282 L C 3.114 179.986 176.870 0.003 0.000 1.149 282 L CA 2.460 57.301 54.840 0.001 0.000 0.816 282 L CB -1.900 40.159 42.059 0.000 0.000 0.932 282 L HN 0.784 nan 8.230 nan 0.000 0.449 283 L N -1.611 119.614 121.223 0.004 0.000 2.446 283 L HA 0.593 4.933 4.340 -0.000 0.000 0.219 283 L C 2.471 179.344 176.870 0.005 0.000 1.116 283 L CA 1.656 56.500 54.840 0.006 0.000 0.844 283 L CB -1.858 40.207 42.059 0.009 0.000 0.970 283 L HN 0.858 nan 8.230 nan 0.000 0.457 284 R N -0.731 119.771 120.500 0.004 0.000 2.743 284 R HA 0.649 4.989 4.340 -0.000 0.000 0.167 284 R C 2.133 178.435 176.300 0.003 0.000 0.873 284 R CA 1.002 57.104 56.100 0.004 0.000 1.366 284 R CB -1.478 28.824 30.300 0.003 0.000 0.940 284 R HN 2.057 nan 8.270 nan 0.000 0.545 285 G N -1.035 107.767 108.800 0.003 0.000 2.665 285 G HA2 -0.312 3.647 3.960 -0.000 0.000 0.326 285 G HA3 -0.312 3.647 3.960 -0.000 0.000 0.326 285 G C 0.906 175.808 174.900 0.002 0.000 1.231 285 G CA 2.466 47.567 45.100 0.003 0.000 0.992 285 G HN 2.146 nan 8.290 nan 0.000 0.549 286 T N -0.096 114.459 114.554 0.002 0.000 2.834 286 T HA 0.566 4.916 4.350 -0.000 0.000 0.298 286 T C 0.754 175.455 174.700 0.001 0.000 0.966 286 T CA 0.523 62.624 62.100 0.001 0.000 1.141 286 T CB 1.253 70.121 68.868 0.001 0.000 0.905 286 T HN 0.484 nan 8.240 nan 0.000 0.535 287 K N 2.544 122.945 120.400 0.001 0.000 2.493 287 K HA 0.293 4.613 4.320 -0.000 0.000 0.207 287 K C 0.675 177.275 176.600 -0.000 0.000 1.033 287 K CA -0.259 56.028 56.287 0.001 0.000 1.161 287 K CB 0.324 32.825 32.500 0.001 0.000 0.873 287 K HN 0.824 nan 8.250 nan 0.000 0.491 288 A N 1.232 124.052 122.820 -0.000 0.000 2.484 288 A HA 0.335 4.655 4.320 -0.000 0.000 0.268 288 A C 1.909 179.492 177.584 -0.002 0.000 1.114 288 A CA 0.179 52.216 52.037 -0.001 0.000 0.780 288 A CB -0.206 18.793 19.000 -0.001 0.000 1.061 288 A HN 0.312 nan 8.150 nan 0.000 0.505 289 L N 2.948 124.170 121.223 -0.003 0.000 2.010 289 L HA -0.146 4.194 4.340 -0.000 0.000 0.219 289 L C 2.782 179.650 176.870 -0.004 0.000 1.077 289 L CA 3.715 58.553 54.840 -0.004 0.000 0.773 289 L CB -2.294 39.762 42.059 -0.005 0.000 0.892 289 L HN 1.085 nan 8.230 nan 0.000 0.436 290 T N -1.871 112.681 114.554 -0.004 0.000 2.942 290 T HA 0.077 4.427 4.350 -0.000 0.000 0.265 290 T C 1.132 175.831 174.700 -0.003 0.000 1.062 290 T CA 0.497 62.594 62.100 -0.004 0.000 1.139 290 T CB -0.299 68.566 68.868 -0.004 0.000 0.883 290 T HN 0.724 nan 8.240 nan 0.000 0.468 291 E N 0.200 120.399 120.200 -0.002 0.000 2.481 291 E HA 0.386 4.736 4.350 -0.000 0.000 0.263 291 E C -0.611 175.988 176.600 -0.001 0.000 0.992 291 E CA 0.249 56.648 56.400 -0.001 0.000 0.938 291 E CB 0.637 30.336 29.700 -0.001 0.000 0.933 291 E HN 0.388 nan 8.360 nan 0.000 0.453 292 V N 3.821 123.734 119.914 -0.001 0.000 2.380 292 V HA 0.515 4.635 4.120 -0.000 0.000 0.272 292 V C 0.362 176.456 176.094 -0.001 0.000 1.011 292 V CA -0.385 61.914 62.300 -0.001 0.000 0.826 292 V CB 0.788 32.610 31.823 -0.001 0.000 1.040 292 V HN 0.727 nan 8.190 nan 0.000 0.441 293 I N 3.463 124.033 120.570 -0.000 0.000 2.872 293 I HA 0.697 4.866 4.170 -0.000 0.000 0.291 293 I C -0.636 175.480 176.117 -0.001 0.000 1.216 293 I CA -0.483 60.817 61.300 -0.001 0.000 1.424 293 I CB 0.391 38.391 38.000 -0.000 0.000 1.351 293 I HN 0.716 nan 8.210 nan 0.000 0.592 294 P HA 0.655 nan 4.420 nan 0.000 0.343 294 P C 0.737 178.035 177.300 -0.003 0.000 1.560 294 P CA 0.850 63.949 63.100 -0.002 0.000 1.480 294 P CB 0.180 31.878 31.700 -0.002 0.000 1.671 295 L N -0.882 120.339 121.223 -0.003 0.000 2.784 295 L HA 0.026 4.366 4.340 -0.000 0.000 0.247 295 L C 2.271 179.138 176.870 -0.004 0.000 1.162 295 L CA 2.678 57.516 54.840 -0.003 0.000 0.881 295 L CB -2.213 39.844 42.059 -0.003 0.000 1.032 295 L HN 0.303 nan 8.230 nan 0.000 0.446 296 T N -0.298 114.253 114.554 -0.004 0.000 2.714 296 T HA -0.259 4.091 4.350 -0.000 0.000 0.268 296 T C 2.233 176.930 174.700 -0.006 0.000 1.036 296 T CA 2.330 64.428 62.100 -0.004 0.000 1.148 296 T CB -0.410 68.456 68.868 -0.003 0.000 0.856 296 T HN 0.996 nan 8.240 nan 0.000 0.462 297 E N 1.212 121.409 120.200 -0.006 0.000 2.051 297 E HA -0.129 4.221 4.350 -0.000 0.000 0.192 297 E C 2.243 178.839 176.600 -0.008 0.000 0.991 297 E CA 2.071 58.467 56.400 -0.007 0.000 0.799 297 E CB -1.534 28.162 29.700 -0.006 0.000 0.748 297 E HN 0.832 nan 8.360 nan 0.000 0.449 298 E N -0.053 120.142 120.200 -0.008 0.000 2.118 298 E HA 0.175 4.525 4.350 -0.000 0.000 0.195 298 E C 2.195 178.789 176.600 -0.010 0.000 0.992 298 E CA 1.970 58.364 56.400 -0.009 0.000 0.804 298 E CB -0.598 29.097 29.700 -0.008 0.000 0.741 298 E HN 1.046 nan 8.360 nan 0.000 0.458 299 A N -0.755 122.059 122.820 -0.009 0.000 2.387 299 A HA 0.493 4.813 4.320 -0.000 0.000 0.234 299 A C 2.145 179.722 177.584 -0.011 0.000 1.253 299 A CA 1.262 53.293 52.037 -0.010 0.000 0.894 299 A CB -0.265 18.730 19.000 -0.008 0.000 0.963 299 A HN 0.601 nan 8.150 nan 0.000 0.508 300 E N 0.860 121.054 120.200 -0.011 0.000 2.108 300 E HA -0.262 4.088 4.350 -0.000 0.000 0.203 300 E C 1.767 178.359 176.600 -0.014 0.000 1.022 300 E CA 1.802 58.195 56.400 -0.011 0.000 0.823 300 E CB -1.105 28.589 29.700 -0.011 0.000 0.744 300 E HN 0.675 nan 8.360 nan 0.000 0.456 301 L N -0.049 121.164 121.223 -0.015 0.000 1.963 301 L HA -0.204 4.136 4.340 -0.000 0.000 0.220 301 L C 3.279 180.137 176.870 -0.020 0.000 1.076 301 L CA 2.835 57.664 54.840 -0.018 0.000 0.772 301 L CB -1.160 40.887 42.059 -0.019 0.000 0.892 301 L HN 0.631 nan 8.230 nan 0.000 0.435 302 E N 0.567 120.756 120.200 -0.019 0.000 2.021 302 E HA -0.311 4.039 4.350 -0.000 0.000 0.200 302 E C 1.992 178.580 176.600 -0.020 0.000 1.015 302 E CA 1.889 58.277 56.400 -0.020 0.000 0.824 302 E CB -1.284 28.406 29.700 -0.016 0.000 0.762 302 E HN 0.392 nan 8.360 nan 0.000 0.454 303 L N 0.861 122.074 121.223 -0.016 0.000 1.997 303 L HA -0.201 4.139 4.340 -0.000 0.000 0.227 303 L C 2.773 179.629 176.870 -0.023 0.000 1.087 303 L CA 3.717 58.548 54.840 -0.015 0.000 0.797 303 L CB -1.127 40.926 42.059 -0.011 0.000 0.902 303 L HN 0.420 nan 8.230 nan 0.000 0.441 304 A N -1.057 121.750 122.820 -0.023 0.000 1.877 304 A HA -0.151 4.169 4.320 -0.000 0.000 0.216 304 A C 2.377 179.939 177.584 -0.036 0.000 1.186 304 A CA 2.686 54.706 52.037 -0.027 0.000 0.620 304 A CB -1.431 17.556 19.000 -0.022 0.000 0.822 304 A HN 0.645 nan 8.150 nan 0.000 0.443 305 E N -0.650 119.530 120.200 -0.033 0.000 2.049 305 E HA -0.335 4.015 4.350 -0.000 0.000 0.198 305 E C 1.971 178.540 176.600 -0.052 0.000 1.007 305 E CA 2.809 59.187 56.400 -0.038 0.000 0.809 305 E CB -2.088 27.592 29.700 -0.033 0.000 0.749 305 E HN 0.973 nan 8.360 nan 0.000 0.450 306 N N 0.858 119.528 118.700 -0.051 0.000 2.084 306 N HA -0.223 4.517 4.740 -0.000 0.000 0.190 306 N C 2.233 177.684 175.510 -0.099 0.000 1.030 306 N CA 1.618 54.627 53.050 -0.068 0.000 0.849 306 N CB -0.538 37.923 38.487 -0.044 0.000 1.012 306 N HN 0.373 nan 8.380 nan 0.000 0.423 307 R N 0.326 120.781 120.500 -0.074 0.000 2.119 307 R HA -0.164 4.175 4.340 -0.000 0.000 0.246 307 R C 2.007 178.247 176.300 -0.101 0.000 1.146 307 R CA 1.575 57.628 56.100 -0.077 0.000 0.962 307 R CB -0.488 29.783 30.300 -0.047 0.000 0.863 307 R HN 0.751 nan 8.270 nan 0.000 0.442 308 E N 0.387 120.536 120.200 -0.086 0.000 2.216 308 E HA -0.119 4.231 4.350 -0.000 0.000 0.192 308 E C 2.189 178.718 176.600 -0.120 0.000 0.988 308 E CA 1.075 57.426 56.400 -0.082 0.000 0.834 308 E CB 0.019 29.687 29.700 -0.054 0.000 0.772 308 E HN 0.269 nan 8.360 nan 0.000 0.479 309 I N 0.871 121.349 120.570 -0.153 0.000 2.233 309 I HA -0.089 4.081 4.170 -0.000 0.000 0.243 309 I C 2.544 178.397 176.117 -0.439 0.000 1.093 309 I CA 1.032 62.210 61.300 -0.202 0.000 1.380 309 I CB -1.045 36.859 38.000 -0.161 0.000 1.067 309 I HN 0.156 nan 8.210 nan 0.000 0.413 310 L N 0.398 121.303 121.223 -0.530 0.000 2.362 310 L HA -0.166 4.173 4.340 -0.000 0.000 0.219 310 L C 3.063 179.655 176.870 -0.464 0.000 1.134 310 L CA 1.579 55.920 54.840 -0.832 0.000 0.807 310 L CB -0.495 41.324 42.059 -0.400 0.000 0.927 310 L HN 0.647 nan 8.230 nan 0.000 0.447 311 K N 0.329 120.577 120.400 -0.252 0.000 2.005 311 K HA 0.062 4.382 4.320 -0.000 0.000 0.206 311 K C 1.102 177.665 176.600 -0.062 0.000 1.044 311 K CA 1.010 57.232 56.287 -0.108 0.000 0.942 311 K CB -1.296 31.161 32.500 -0.072 0.000 0.727 311 K HN 0.414 nan 8.250 nan 0.000 0.439 312 E N 2.571 122.729 120.200 -0.070 0.000 2.606 312 E HA 0.261 4.611 4.350 -0.000 0.000 0.248 312 E C -2.474 174.183 176.600 0.095 0.000 1.005 312 E CA -1.315 55.089 56.400 0.007 0.000 0.946 312 E CB -0.893 28.810 29.700 0.005 0.000 0.928 312 E HN 0.483 nan 8.360 nan 0.000 0.494 313 P HA 0.177 nan 4.420 nan 0.000 0.274 313 P C 0.094 177.502 177.300 0.179 0.000 1.291 313 P CA -0.132 63.074 63.100 0.176 0.000 0.815 313 P CB 0.734 32.506 31.700 0.120 0.000 0.897 314 V N 2.180 122.205 119.914 0.186 0.000 3.488 314 V HA 0.777 4.897 4.120 -0.000 0.000 0.291 314 V C -0.249 175.801 176.094 -0.073 0.000 1.163 314 V CA -0.314 61.977 62.300 -0.016 0.000 0.971 314 V CB 1.405 33.190 31.823 -0.064 0.000 1.245 314 V HN 0.757 nan 8.190 nan 0.000 0.456 315 H N -1.716 117.196 119.070 -0.264 0.000 2.905 315 H HA 0.432 4.988 4.556 -0.000 0.000 0.260 315 H C -0.785 174.198 175.328 -0.575 0.000 1.403 315 H CA -0.368 55.429 56.048 -0.418 0.000 1.290 315 H CB 0.811 30.420 29.762 -0.255 0.000 1.840 315 H HN 1.259 nan 8.280 nan 0.000 0.466 316 G N 0.777 109.047 108.800 -0.883 0.000 2.513 316 G HA2 0.506 4.465 3.960 -0.000 0.000 0.317 316 G HA3 0.506 4.465 3.960 -0.000 0.000 0.317 316 G C -0.755 174.013 174.900 -0.219 0.000 1.277 316 G CA -0.256 44.353 45.100 -0.818 0.000 0.955 316 G HN 0.518 nan 8.290 nan 0.000 0.484 317 V N 1.969 121.978 119.914 0.157 0.000 3.295 317 V HA 0.575 4.695 4.120 -0.000 0.000 0.308 317 V C -0.495 175.918 176.094 0.531 0.000 1.068 317 V CA -0.877 61.539 62.300 0.194 0.000 1.062 317 V CB 1.152 33.051 31.823 0.126 0.000 1.162 317 V HN 0.538 nan 8.190 nan 0.000 0.456 318 Y N 1.902 122.394 120.300 0.319 0.000 2.301 318 Y HA 0.294 4.844 4.550 -0.000 0.000 0.328 318 Y C 0.041 176.095 175.900 0.257 0.000 1.242 318 Y CA -1.081 57.193 58.100 0.290 0.000 1.323 318 Y CB 0.020 38.594 38.460 0.191 0.000 1.266 318 Y HN 0.637 nan 8.280 nan 0.000 0.527 319 Y N 2.691 123.167 120.300 0.294 0.000 2.465 319 Y HA 0.254 4.804 4.550 -0.000 0.000 0.331 319 Y C -0.542 175.408 175.900 0.083 0.000 1.102 319 Y CA -1.016 57.171 58.100 0.146 0.000 1.358 319 Y CB 0.358 38.959 38.460 0.235 0.000 1.213 319 Y HN 0.641 nan 8.280 nan 0.000 0.525 320 D N 8.501 128.706 120.400 -0.325 0.000 2.549 320 D HA 0.367 5.006 4.640 -0.000 0.000 0.251 320 D C -2.198 173.718 176.300 -0.642 0.000 1.153 320 D CA -2.281 51.422 54.000 -0.495 0.000 0.861 320 D CB 2.057 42.757 40.800 -0.167 0.000 1.207 320 D HN 0.330 nan 8.370 nan 0.000 0.543 321 P HA -0.101 nan 4.420 nan 0.000 0.219 321 P C 0.990 178.195 177.300 -0.158 0.000 1.150 321 P CA 0.533 63.406 63.100 -0.378 0.000 0.814 321 P CB 0.327 31.849 31.700 -0.298 0.000 0.787 322 S N -0.532 115.076 115.700 -0.152 0.000 2.383 322 S HA -0.102 4.368 4.470 -0.000 0.000 0.229 322 S C 1.486 176.044 174.600 -0.069 0.000 1.030 322 S CA 1.184 59.333 58.200 -0.087 0.000 1.002 322 S CB -0.327 62.829 63.200 -0.074 0.000 0.829 322 S HN 0.172 nan 8.310 nan 0.000 0.467 323 K N 1.330 121.683 120.400 -0.079 0.000 2.918 323 K HA 0.276 4.596 4.320 -0.000 0.000 0.318 323 K C -0.249 176.315 176.600 -0.059 0.000 0.995 323 K CA -0.040 56.210 56.287 -0.062 0.000 1.187 323 K CB 0.002 32.468 32.500 -0.058 0.000 1.413 323 K HN 0.294 nan 8.250 nan 0.000 0.556 324 D N -0.971 119.381 120.400 -0.080 0.000 2.592 324 D HA 0.339 4.979 4.640 -0.000 0.000 0.263 324 D C -0.707 175.483 176.300 -0.183 0.000 1.132 324 D CA -0.600 53.338 54.000 -0.103 0.000 0.996 324 D CB 0.685 41.420 40.800 -0.109 0.000 1.442 324 D HN 0.199 nan 8.370 nan 0.000 0.486 325 L N -0.083 121.000 121.223 -0.233 0.000 2.317 325 L HA 0.641 4.981 4.340 -0.000 0.000 0.281 325 L C -1.135 175.491 176.870 -0.407 0.000 1.024 325 L CA -0.753 53.866 54.840 -0.369 0.000 0.810 325 L CB 0.833 42.648 42.059 -0.406 0.000 1.240 325 L HN 0.424 nan 8.230 nan 0.000 0.427 326 I N 2.536 122.804 120.570 -0.503 0.000 2.984 326 I HA 0.816 4.986 4.170 -0.000 0.000 0.303 326 I C -0.829 174.972 176.117 -0.527 0.000 1.381 326 I CA -0.709 60.271 61.300 -0.533 0.000 0.988 326 I CB 1.919 39.617 38.000 -0.503 0.000 1.307 326 I HN 0.466 nan 8.210 nan 0.000 0.460 327 A N 2.208 124.783 122.820 -0.408 0.000 2.513 327 A HA 0.779 5.098 4.320 -0.000 0.000 0.296 327 A C -1.224 176.427 177.584 0.112 0.000 1.052 327 A CA -0.575 51.373 52.037 -0.148 0.000 0.714 327 A CB 1.409 20.277 19.000 -0.220 0.000 1.279 327 A HN 0.852 nan 8.150 nan 0.000 0.397 328 E N 2.576 122.919 120.200 0.238 0.000 2.195 328 E HA 0.739 5.089 4.350 -0.000 0.000 0.271 328 E C -0.376 176.377 176.600 0.256 0.000 0.923 328 E CA -0.814 55.735 56.400 0.248 0.000 0.790 328 E CB 2.030 31.867 29.700 0.229 0.000 1.155 328 E HN 0.736 nan 8.360 nan 0.000 0.402 329 I N -0.549 120.161 120.570 0.233 0.000 2.740 329 I HA 0.513 4.683 4.170 -0.000 0.000 0.303 329 I C -1.185 175.056 176.117 0.208 0.000 1.044 329 I CA -1.075 60.380 61.300 0.259 0.000 1.064 329 I CB 1.467 39.644 38.000 0.295 0.000 1.249 329 I HN 0.623 nan 8.210 nan 0.000 0.433 330 Q N 3.034 122.946 119.800 0.187 0.000 2.458 330 Q HA 0.743 5.083 4.340 -0.000 0.000 0.282 330 Q C -0.413 175.591 176.000 0.008 0.000 1.106 330 Q CA -0.699 55.152 55.803 0.079 0.000 0.814 330 Q CB 1.385 30.136 28.738 0.022 0.000 1.425 330 Q HN 0.830 nan 8.270 nan 0.000 0.437 331 K N 0.825 121.097 120.400 -0.215 0.000 2.265 331 K HA 0.345 4.665 4.320 -0.000 0.000 0.267 331 K C -0.146 176.259 176.600 -0.325 0.000 0.994 331 K CA -0.509 55.448 56.287 -0.549 0.000 0.860 331 K CB 1.263 33.267 32.500 -0.825 0.000 1.099 331 K HN 0.754 nan 8.250 nan 0.000 0.448 332 Q N 0.922 120.550 119.800 -0.288 0.000 2.123 332 Q HA 0.252 4.592 4.340 -0.000 0.000 0.193 332 Q C 0.961 176.857 176.000 -0.174 0.000 0.981 332 Q CA 1.150 56.850 55.803 -0.172 0.000 0.833 332 Q CB 0.629 29.302 28.738 -0.108 0.000 0.914 332 Q HN 0.863 nan 8.270 nan 0.000 0.484 333 G N -0.605 108.085 108.800 -0.184 0.000 3.013 333 G HA2 0.238 4.198 3.960 -0.000 0.000 0.278 333 G HA3 0.238 4.198 3.960 -0.000 0.000 0.278 333 G C -1.131 173.658 174.900 -0.184 0.000 1.353 333 G CA -0.513 44.501 45.100 -0.144 0.000 1.043 333 G HN 0.090 nan 8.290 nan 0.000 0.523 334 Q N 0.587 120.319 119.800 -0.114 0.000 2.613 334 Q HA 0.326 4.666 4.340 -0.000 0.000 0.228 334 Q C 0.995 176.958 176.000 -0.061 0.000 1.318 334 Q CA 0.934 56.685 55.803 -0.087 0.000 0.907 334 Q CB 0.321 29.042 28.738 -0.028 0.000 1.593 334 Q HN 1.161 nan 8.270 nan 0.000 0.559 335 G N 1.603 110.347 108.800 -0.093 0.000 2.617 335 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.197 335 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.197 335 G C 0.091 175.012 174.900 0.036 0.000 1.017 335 G CA -0.705 44.414 45.100 0.031 0.000 0.713 335 G HN 0.406 nan 8.290 nan 0.000 0.481 336 Q N 0.284 120.019 119.800 -0.109 0.000 2.262 336 Q HA 0.372 4.712 4.340 -0.000 0.000 0.272 336 Q C -0.992 174.919 176.000 -0.149 0.000 1.076 336 Q CA 0.533 56.285 55.803 -0.086 0.000 0.905 336 Q CB 0.260 28.935 28.738 -0.105 0.000 1.182 336 Q HN 0.530 nan 8.270 nan 0.000 0.390 337 W N 1.203 122.468 121.300 -0.059 0.000 2.957 337 W HA 0.369 5.029 4.660 -0.000 0.000 0.336 337 W C 0.095 176.591 176.519 -0.038 0.000 1.087 337 W CA -0.475 56.861 57.345 -0.015 0.000 1.235 337 W CB 2.097 31.592 29.460 0.058 0.000 1.399 337 W HN 0.306 nan 8.180 nan 0.000 0.480 338 T N 2.200 116.876 114.554 0.203 0.000 2.883 338 T HA 0.648 4.998 4.350 -0.000 0.000 0.296 338 T C -1.239 173.492 174.700 0.051 0.000 1.117 338 T CA -0.325 61.760 62.100 -0.026 0.000 1.006 338 T CB 1.068 69.904 68.868 -0.053 0.000 1.191 338 T HN 0.293 nan 8.240 nan 0.000 0.508 339 Y N -0.227 120.156 120.300 0.138 0.000 2.944 339 Y HA 0.817 5.367 4.550 -0.000 0.000 0.312 339 Y C -1.276 174.680 175.900 0.094 0.000 1.417 339 Y CA -1.587 56.587 58.100 0.124 0.000 1.105 339 Y CB 0.689 39.227 38.460 0.130 0.000 1.364 339 Y HN 0.660 nan 8.280 nan 0.000 0.540 340 Q N 0.917 121.013 119.800 0.492 0.000 2.520 340 Q HA 0.521 4.861 4.340 -0.000 0.000 0.237 340 Q C -2.034 174.112 176.000 0.242 0.000 0.875 340 Q CA -0.528 55.462 55.803 0.311 0.000 1.028 340 Q CB 1.446 30.272 28.738 0.148 0.000 1.534 340 Q HN 0.731 nan 8.270 nan 0.000 0.471 341 I N 2.783 123.437 120.570 0.139 0.000 2.330 341 I HA 0.508 4.678 4.170 -0.000 0.000 0.286 341 I C -0.625 175.529 176.117 0.062 0.000 1.025 341 I CA -0.854 60.441 61.300 -0.009 0.000 1.197 341 I CB -0.138 37.778 38.000 -0.140 0.000 1.358 341 I HN 0.619 nan 8.210 nan 0.000 0.467 342 Y N 2.796 123.019 120.300 -0.129 0.000 2.602 342 Y HA 0.569 5.119 4.550 -0.000 0.000 0.342 342 Y C 0.301 176.125 175.900 -0.127 0.000 1.029 342 Y CA -1.004 57.033 58.100 -0.104 0.000 1.080 342 Y CB 1.390 39.803 38.460 -0.078 0.000 1.284 342 Y HN 0.352 nan 8.280 nan 0.000 0.485 343 Q N -0.193 119.540 119.800 -0.112 0.000 2.423 343 Q HA 0.201 4.541 4.340 -0.000 0.000 0.231 343 Q C -0.644 175.331 176.000 -0.040 0.000 0.894 343 Q CA 0.455 56.150 55.803 -0.180 0.000 0.938 343 Q CB 0.818 29.506 28.738 -0.083 0.000 1.079 343 Q HN 0.634 nan 8.270 nan 0.000 0.552 344 E N 0.252 120.556 120.200 0.174 0.000 2.241 344 E HA 0.234 4.584 4.350 -0.000 0.000 0.263 344 E C -2.228 174.588 176.600 0.359 0.000 0.882 344 E CA -1.900 54.640 56.400 0.233 0.000 0.769 344 E CB 1.901 31.675 29.700 0.123 0.000 1.185 344 E HN -0.148 nan 8.360 nan 0.000 0.415 345 P HA -0.278 nan 4.420 nan 0.000 0.257 345 P C 0.968 178.173 177.300 -0.159 0.000 0.790 345 P CA 1.592 64.715 63.100 0.038 0.000 1.099 345 P CB -0.212 31.550 31.700 0.104 0.000 0.810 346 F N -0.543 119.332 119.950 -0.125 0.000 2.748 346 F HA 0.038 4.565 4.527 -0.000 0.000 0.299 346 F C 1.212 176.956 175.800 -0.093 0.000 1.154 346 F CA 0.802 58.722 58.000 -0.134 0.000 1.446 346 F CB -0.008 38.938 39.000 -0.090 0.000 1.112 346 F HN -0.219 nan 8.300 nan 0.000 0.584 347 K N 1.656 122.104 120.400 0.079 0.000 2.284 347 K HA 0.092 4.412 4.320 -0.000 0.000 0.287 347 K C -0.577 176.035 176.600 0.020 0.000 1.081 347 K CA -0.215 56.110 56.287 0.063 0.000 0.910 347 K CB 0.391 32.960 32.500 0.116 0.000 1.088 347 K HN 0.162 nan 8.250 nan 0.000 0.478 348 N N 3.208 121.862 118.700 -0.077 0.000 2.473 348 N HA 0.149 4.889 4.740 -0.000 0.000 0.291 348 N C 0.710 176.273 175.510 0.088 0.000 1.083 348 N CA -0.331 52.705 53.050 -0.023 0.000 0.951 348 N CB 0.945 39.347 38.487 -0.142 0.000 1.164 348 N HN 0.430 nan 8.380 nan 0.000 0.480 349 L N 2.101 123.430 121.223 0.176 0.000 2.168 349 L HA 0.236 4.576 4.340 -0.000 0.000 0.203 349 L C 0.345 177.505 176.870 0.484 0.000 1.078 349 L CA 0.894 55.919 54.840 0.309 0.000 0.780 349 L CB 0.170 42.308 42.059 0.132 0.000 0.939 349 L HN 0.580 nan 8.230 nan 0.000 0.451 350 K N -1.002 119.602 120.400 0.339 0.000 2.740 350 K HA 0.160 4.480 4.320 -0.000 0.000 0.279 350 K C -1.185 175.585 176.600 0.283 0.000 1.038 350 K CA -0.107 56.421 56.287 0.401 0.000 0.887 350 K CB 1.369 34.132 32.500 0.437 0.000 1.411 350 K HN 0.044 nan 8.250 nan 0.000 0.381 351 T N -1.033 113.695 114.554 0.289 0.000 2.905 351 T HA 0.953 5.302 4.350 -0.000 0.000 0.283 351 T C 0.046 174.987 174.700 0.402 0.000 1.031 351 T CA -0.187 62.108 62.100 0.326 0.000 1.002 351 T CB 2.021 70.980 68.868 0.151 0.000 1.200 351 T HN 0.797 nan 8.240 nan 0.000 0.560 352 G N 0.660 109.553 108.800 0.156 0.000 2.384 352 G HA2 0.479 4.438 3.960 -0.000 0.000 0.300 352 G HA3 0.479 4.438 3.960 -0.000 0.000 0.300 352 G C -1.407 173.006 174.900 -0.812 0.000 1.582 352 G CA -0.693 44.294 45.100 -0.188 0.000 0.875 352 G HN 0.930 nan 8.290 nan 0.000 0.628 353 K N -0.292 119.894 120.400 -0.356 0.000 2.526 353 K HA 0.932 5.252 4.320 -0.000 0.000 0.256 353 K C -0.718 175.857 176.600 -0.042 0.000 1.035 353 K CA -1.328 54.831 56.287 -0.213 0.000 1.011 353 K CB 0.964 33.435 32.500 -0.049 0.000 1.343 353 K HN 1.166 nan 8.250 nan 0.000 0.510 354 Y N -2.285 117.974 120.300 -0.069 0.000 2.522 354 Y HA 0.441 4.991 4.550 -0.000 0.000 0.326 354 Y C -1.673 174.273 175.900 0.078 0.000 1.198 354 Y CA -0.426 57.672 58.100 -0.003 0.000 1.112 354 Y CB 1.530 39.974 38.460 -0.027 0.000 1.342 354 Y HN 0.754 nan 8.280 nan 0.000 0.460 355 A N 5.014 127.511 122.820 -0.539 0.000 2.474 355 A HA 0.227 4.546 4.320 -0.000 0.000 0.249 355 A C -0.340 176.965 177.584 -0.465 0.000 0.891 355 A CA -0.489 51.289 52.037 -0.431 0.000 1.135 355 A CB 0.068 18.989 19.000 -0.132 0.000 1.191 355 A HN 0.640 nan 8.150 nan 0.000 0.471 356 R N 0.664 120.700 120.500 -0.774 0.000 2.483 356 R HA 0.134 4.474 4.340 -0.000 0.000 0.329 356 R C -0.132 176.062 176.300 -0.176 0.000 0.961 356 R CA 0.067 56.001 56.100 -0.277 0.000 1.041 356 R CB -0.041 30.275 30.300 0.028 0.000 0.930 356 R HN 0.278 nan 8.270 nan 0.000 0.413 357 M N 6.017 125.566 119.600 -0.084 0.000 2.725 357 M HA 0.115 4.595 4.480 -0.000 0.000 0.322 357 M C 0.771 177.066 176.300 -0.010 0.000 1.393 357 M CA 0.272 55.549 55.300 -0.039 0.000 1.452 357 M CB 0.044 32.630 32.600 -0.023 0.000 1.242 357 M HN 0.621 nan 8.290 nan 0.000 0.487 358 R N 2.125 122.628 120.500 0.006 0.000 1.860 358 R HA 0.171 4.511 4.340 -0.000 0.000 0.139 358 R C 0.628 176.941 176.300 0.022 0.000 0.745 358 R CA 0.965 57.083 56.100 0.030 0.000 1.556 358 R CB -0.705 29.628 30.300 0.055 0.000 0.584 358 R HN 0.808 nan 8.270 nan 0.000 0.653 359 G N -1.004 107.816 108.800 0.034 0.000 2.720 359 G HA2 0.114 4.074 3.960 -0.000 0.000 0.237 359 G HA3 0.114 4.074 3.960 -0.000 0.000 0.237 359 G C 0.655 175.532 174.900 -0.038 0.000 1.239 359 G CA 0.222 45.331 45.100 0.015 0.000 0.847 359 G HN 0.655 nan 8.290 nan 0.000 0.593 360 A N -0.006 122.733 122.820 -0.135 0.000 2.067 360 A HA 0.071 4.391 4.320 -0.000 0.000 0.219 360 A C 0.829 178.177 177.584 -0.393 0.000 1.158 360 A CA 1.024 52.871 52.037 -0.315 0.000 0.661 360 A CB -0.178 18.526 19.000 -0.494 0.000 0.801 360 A HN 0.623 nan 8.150 nan 0.000 0.452 361 H N -0.175 118.921 119.070 0.043 0.000 3.162 361 H HA 0.363 4.918 4.556 -0.000 0.000 0.309 361 H C -1.052 174.297 175.328 0.035 0.000 1.156 361 H CA -0.058 56.010 56.048 0.032 0.000 1.586 361 H CB 0.367 30.140 29.762 0.019 0.000 1.740 361 H HN 0.250 nan 8.280 nan 0.000 0.525 362 T N 0.290 114.919 114.554 0.126 0.000 2.861 362 T HA 0.367 4.717 4.350 -0.000 0.000 0.287 362 T C 0.485 175.207 174.700 0.036 0.000 1.003 362 T CA -1.121 61.025 62.100 0.077 0.000 0.977 362 T CB 2.061 70.965 68.868 0.061 0.000 0.996 362 T HN 0.490 nan 8.240 nan 0.000 0.448 363 N N 1.305 119.988 118.700 -0.028 0.000 2.322 363 N HA 0.167 4.907 4.740 -0.000 0.000 0.270 363 N C 0.417 175.861 175.510 -0.111 0.000 1.286 363 N CA -0.369 52.620 53.050 -0.101 0.000 0.948 363 N CB 0.062 38.405 38.487 -0.240 0.000 1.164 363 N HN 0.653 nan 8.380 nan 0.000 0.551 364 D N -1.843 118.467 120.400 -0.151 0.000 2.277 364 D HA -0.016 4.624 4.640 -0.000 0.000 0.208 364 D C 1.475 177.721 176.300 -0.090 0.000 0.962 364 D CA 0.551 54.519 54.000 -0.053 0.000 0.865 364 D CB 0.175 40.924 40.800 -0.085 0.000 0.939 364 D HN 0.370 nan 8.370 nan 0.000 0.510 365 V N 0.558 120.243 119.914 -0.382 0.000 2.255 365 V HA -0.221 3.899 4.120 -0.000 0.000 0.243 365 V C 2.165 178.071 176.094 -0.314 0.000 1.038 365 V CA 1.314 63.332 62.300 -0.470 0.000 1.008 365 V CB -0.685 30.443 31.823 -1.159 0.000 0.645 365 V HN 0.108 nan 8.190 nan 0.000 0.449 366 K N 0.149 120.375 120.400 -0.290 0.000 2.097 366 K HA -0.311 4.008 4.320 -0.000 0.000 0.214 366 K C 2.328 178.856 176.600 -0.120 0.000 1.052 366 K CA 2.183 58.426 56.287 -0.073 0.000 0.932 366 K CB -0.417 32.086 32.500 0.004 0.000 0.716 366 K HN 0.525 nan 8.250 nan 0.000 0.455 367 Q N 0.601 120.320 119.800 -0.136 0.000 1.998 367 Q HA -0.225 4.114 4.340 -0.000 0.000 0.209 367 Q C 2.346 177.918 176.000 -0.713 0.000 1.002 367 Q CA 1.618 57.267 55.803 -0.255 0.000 0.858 367 Q CB -0.646 28.172 28.738 0.132 0.000 0.932 367 Q HN 0.287 nan 8.270 nan 0.000 0.416 368 L N 0.988 121.643 121.223 -0.947 0.000 2.012 368 L HA -0.178 4.162 4.340 -0.000 0.000 0.210 368 L C 2.259 178.729 176.870 -0.666 0.000 1.073 368 L CA 2.222 56.401 54.840 -1.100 0.000 0.748 368 L CB -1.184 40.477 42.059 -0.663 0.000 0.891 368 L HN 0.189 nan 8.230 nan 0.000 0.431 369 T N -0.084 114.194 114.554 -0.460 0.000 2.565 369 T HA -0.291 4.059 4.350 -0.000 0.000 0.265 369 T C 1.665 176.158 174.700 -0.345 0.000 1.082 369 T CA 2.244 64.127 62.100 -0.360 0.000 1.173 369 T CB -0.346 68.471 68.868 -0.086 0.000 0.864 369 T HN 0.528 nan 8.240 nan 0.000 0.425 370 E N 0.845 120.906 120.200 -0.232 0.000 2.049 370 E HA -0.157 4.193 4.350 -0.000 0.000 0.198 370 E C 2.577 178.925 176.600 -0.420 0.000 1.007 370 E CA 1.098 57.388 56.400 -0.183 0.000 0.809 370 E CB -0.362 29.364 29.700 0.043 0.000 0.749 370 E HN 0.491 nan 8.360 nan 0.000 0.450 371 A N 1.025 123.568 122.820 -0.462 0.000 1.903 371 A HA -0.249 4.071 4.320 -0.000 0.000 0.219 371 A C 2.562 179.836 177.584 -0.517 0.000 1.191 371 A CA 1.935 53.581 52.037 -0.652 0.000 0.638 371 A CB -1.037 17.618 19.000 -0.575 0.000 0.823 371 A HN 0.155 nan 8.150 nan 0.000 0.451 372 V N -0.168 119.425 119.914 -0.534 0.000 2.287 372 V HA -0.359 3.761 4.120 -0.000 0.000 0.248 372 V C 2.674 178.520 176.094 -0.413 0.000 1.053 372 V CA 2.385 64.319 62.300 -0.609 0.000 1.027 372 V CB -1.011 30.241 31.823 -0.951 0.000 0.646 372 V HN 0.676 nan 8.190 nan 0.000 0.447 373 Q N -0.125 119.452 119.800 -0.372 0.000 2.112 373 Q HA -0.310 4.030 4.340 -0.000 0.000 0.206 373 Q C 2.398 178.290 176.000 -0.179 0.000 0.987 373 Q CA 2.099 57.764 55.803 -0.230 0.000 0.858 373 Q CB -0.361 28.266 28.738 -0.185 0.000 0.905 373 Q HN 0.602 nan 8.270 nan 0.000 0.420 374 K N 0.959 121.197 120.400 -0.271 0.000 2.152 374 K HA -0.181 4.139 4.320 -0.000 0.000 0.206 374 K C 1.891 178.430 176.600 -0.101 0.000 1.048 374 K CA 1.180 57.339 56.287 -0.212 0.000 0.933 374 K CB -0.083 32.189 32.500 -0.379 0.000 0.721 374 K HN 0.198 nan 8.250 nan 0.000 0.447 375 I N 0.813 121.330 120.570 -0.089 0.000 2.202 375 I HA -0.244 3.926 4.170 -0.000 0.000 0.242 375 I C 2.117 178.224 176.117 -0.016 0.000 1.091 375 I CA 1.326 62.574 61.300 -0.087 0.000 1.368 375 I CB -0.778 37.236 38.000 0.022 0.000 1.058 375 I HN 0.213 nan 8.210 nan 0.000 0.410 376 T N 0.203 114.795 114.554 0.063 0.000 2.452 376 T HA -0.269 4.081 4.350 -0.000 0.000 0.251 376 T C 1.891 176.593 174.700 0.003 0.000 1.232 376 T CA 2.336 64.477 62.100 0.068 0.000 1.226 376 T CB -0.878 68.022 68.868 0.053 0.000 0.864 376 T HN 0.288 nan 8.240 nan 0.000 0.399 377 T N 1.207 115.751 114.554 -0.016 0.000 2.567 377 T HA -0.285 4.065 4.350 -0.000 0.000 0.261 377 T C 1.920 176.587 174.700 -0.054 0.000 1.123 377 T CA 2.337 64.420 62.100 -0.029 0.000 1.166 377 T CB -0.650 68.199 68.868 -0.033 0.000 0.860 377 T HN 0.637 nan 8.240 nan 0.000 0.436 378 E N 0.028 120.189 120.200 -0.065 0.000 2.068 378 E HA -0.231 4.119 4.350 -0.000 0.000 0.207 378 E C 2.388 178.898 176.600 -0.149 0.000 1.032 378 E CA 1.863 58.202 56.400 -0.102 0.000 0.839 378 E CB -0.444 29.207 29.700 -0.083 0.000 0.758 378 E HN 0.442 nan 8.360 nan 0.000 0.457 379 S N -0.306 115.347 115.700 -0.079 0.000 2.374 379 S HA -0.166 4.304 4.470 -0.000 0.000 0.227 379 S C 2.032 176.616 174.600 -0.026 0.000 1.037 379 S CA 1.251 59.465 58.200 0.024 0.000 1.024 379 S CB -0.341 62.930 63.200 0.119 0.000 0.861 379 S HN 0.358 nan 8.310 nan 0.000 0.456 380 I N 1.839 122.387 120.570 -0.036 0.000 2.151 380 I HA -0.137 4.032 4.170 -0.000 0.000 0.243 380 I C 2.410 178.459 176.117 -0.113 0.000 1.080 380 I CA 1.239 62.516 61.300 -0.039 0.000 1.339 380 I CB -1.520 36.464 38.000 -0.026 0.000 1.039 380 I HN 0.242 nan 8.210 nan 0.000 0.409 381 V N 1.179 120.997 119.914 -0.161 0.000 2.626 381 V HA -0.201 3.919 4.120 -0.000 0.000 0.252 381 V C 2.284 178.153 176.094 -0.375 0.000 1.067 381 V CA 1.103 63.277 62.300 -0.210 0.000 1.081 381 V CB -0.558 31.160 31.823 -0.176 0.000 0.686 381 V HN 0.262 nan 8.190 nan 0.000 0.468 382 I N -2.426 117.775 120.570 -0.614 0.000 2.852 382 I HA 0.012 4.182 4.170 -0.000 0.000 0.264 382 I C 1.622 176.839 176.117 -1.500 0.000 1.179 382 I CA 1.167 61.728 61.300 -1.231 0.000 1.480 382 I CB -0.631 36.125 38.000 -2.074 0.000 1.111 382 I HN 0.449 nan 8.210 nan 0.000 0.441 383 W N 0.718 121.876 121.300 -0.236 0.000 2.055 383 W HA 0.378 5.038 4.660 -0.000 0.000 0.293 383 W C 1.235 177.667 176.519 -0.146 0.000 0.886 383 W CA 0.214 57.393 57.345 -0.277 0.000 1.384 383 W CB -0.269 28.881 29.460 -0.517 0.000 1.068 383 W HN 0.299 nan 8.180 nan 0.000 0.513 384 G N 2.811 111.612 108.800 0.002 0.000 2.296 384 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.282 384 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.282 384 G C 0.130 175.062 174.900 0.054 0.000 1.014 384 G CA 1.403 46.512 45.100 0.015 0.000 0.812 384 G HN 0.250 nan 8.290 nan 0.000 0.508 385 K N -0.351 120.097 120.400 0.080 0.000 2.498 385 K HA 0.543 4.863 4.320 -0.000 0.000 0.254 385 K C -0.545 176.067 176.600 0.019 0.000 0.933 385 K CA -0.631 55.688 56.287 0.052 0.000 0.806 385 K CB 1.338 33.869 32.500 0.052 0.000 1.301 385 K HN -0.012 nan 8.250 nan 0.000 0.432 386 T N 5.563 120.115 114.554 -0.004 0.000 2.780 386 T HA 0.314 4.664 4.350 -0.000 0.000 0.294 386 T C -2.391 172.229 174.700 -0.134 0.000 0.949 386 T CA -1.035 61.043 62.100 -0.035 0.000 1.074 386 T CB 1.122 70.007 68.868 0.028 0.000 0.910 386 T HN 0.447 nan 8.240 nan 0.000 0.501 387 P HA 0.378 nan 4.420 nan 0.000 0.282 387 P C -0.445 176.524 177.300 -0.551 0.000 1.259 387 P CA -0.859 61.978 63.100 -0.439 0.000 0.826 387 P CB 1.364 32.718 31.700 -0.578 0.000 1.064 388 K N 0.911 121.066 120.400 -0.408 0.000 2.120 388 K HA 0.400 4.720 4.320 -0.000 0.000 0.245 388 K C -0.327 176.039 176.600 -0.391 0.000 1.024 388 K CA 0.025 56.154 56.287 -0.264 0.000 0.906 388 K CB 0.293 32.710 32.500 -0.138 0.000 1.051 388 K HN 0.412 nan 8.250 nan 0.000 0.491 389 F N 0.543 120.484 119.950 -0.014 0.000 2.529 389 F HA 0.287 4.814 4.527 -0.000 0.000 0.320 389 F C 0.044 175.907 175.800 0.106 0.000 1.118 389 F CA -0.861 57.150 58.000 0.017 0.000 0.915 389 F CB 1.919 40.916 39.000 -0.005 0.000 1.161 389 F HN 0.107 nan 8.300 nan 0.000 0.445 390 K N 5.649 126.237 120.400 0.313 0.000 2.347 390 K HA 0.530 4.850 4.320 -0.000 0.000 0.262 390 K C -1.190 175.535 176.600 0.207 0.000 1.052 390 K CA -0.275 56.151 56.287 0.233 0.000 0.946 390 K CB 0.908 33.506 32.500 0.163 0.000 1.220 390 K HN 0.510 nan 8.250 nan 0.000 0.450 391 L N 4.366 125.715 121.223 0.210 0.000 2.334 391 L HA 0.487 4.827 4.340 -0.000 0.000 0.276 391 L C -2.088 174.816 176.870 0.056 0.000 1.014 391 L CA -2.378 52.493 54.840 0.051 0.000 0.815 391 L CB 1.586 43.505 42.059 -0.234 0.000 1.268 391 L HN 0.375 nan 8.230 nan 0.000 0.428 392 P HA 0.321 nan 4.420 nan 0.000 0.256 392 P C -0.675 176.690 177.300 0.108 0.000 1.689 392 P CA 0.159 63.282 63.100 0.039 0.000 1.124 392 P CB 0.778 32.513 31.700 0.058 0.000 1.766 393 I N 0.514 121.226 120.570 0.237 0.000 2.660 393 I HA 0.056 4.226 4.170 -0.000 0.000 0.290 393 I C -0.762 175.731 176.117 0.627 0.000 1.735 393 I CA -0.496 60.993 61.300 0.315 0.000 1.042 393 I CB 1.910 39.980 38.000 0.116 0.000 1.565 393 I HN 0.107 nan 8.210 nan 0.000 0.479 394 Q N 4.968 125.073 119.800 0.507 0.000 2.544 394 Q HA 0.198 4.538 4.340 -0.000 0.000 0.194 394 Q C 0.457 176.694 176.000 0.395 0.000 1.104 394 Q CA -0.482 55.477 55.803 0.260 0.000 1.131 394 Q CB 0.801 29.520 28.738 -0.032 0.000 1.210 394 Q HN 0.507 nan 8.270 nan 0.000 0.639 395 K N 1.018 121.562 120.400 0.241 0.000 1.995 395 K HA -0.089 4.231 4.320 -0.000 0.000 0.207 395 K C 1.630 178.425 176.600 0.325 0.000 1.041 395 K CA 1.371 57.887 56.287 0.381 0.000 0.942 395 K CB -0.607 32.000 32.500 0.178 0.000 0.731 395 K HN 0.540 nan 8.250 nan 0.000 0.439 396 E N 1.178 121.483 120.200 0.176 0.000 2.233 396 E HA -0.186 4.164 4.350 -0.000 0.000 0.199 396 E C 1.939 178.634 176.600 0.159 0.000 1.004 396 E CA 1.893 58.378 56.400 0.141 0.000 0.819 396 E CB -0.387 29.360 29.700 0.079 0.000 0.738 396 E HN 0.626 nan 8.360 nan 0.000 0.478 397 T N -0.762 113.909 114.554 0.195 0.000 2.571 397 T HA -0.216 4.134 4.350 -0.000 0.000 0.255 397 T C 1.666 176.528 174.700 0.270 0.000 1.100 397 T CA 0.835 63.049 62.100 0.190 0.000 1.199 397 T CB -1.059 67.914 68.868 0.174 0.000 0.870 397 T HN 0.507 nan 8.240 nan 0.000 0.399 398 W N 2.611 124.043 121.300 0.219 0.000 2.313 398 W HA -0.195 4.465 4.660 -0.000 0.000 0.293 398 W C 1.987 178.783 176.519 0.463 0.000 1.216 398 W CA 1.914 59.431 57.345 0.286 0.000 1.223 398 W CB -0.269 29.271 29.460 0.133 0.000 1.138 398 W HN 0.506 nan 8.180 nan 0.000 0.535 399 E N 0.215 120.512 120.200 0.162 0.000 2.007 399 E HA -0.203 4.147 4.350 -0.000 0.000 0.194 399 E C 1.982 178.603 176.600 0.035 0.000 0.999 399 E CA 2.649 59.154 56.400 0.176 0.000 0.811 399 E CB -0.740 29.101 29.700 0.235 0.000 0.762 399 E HN 0.097 nan 8.360 nan 0.000 0.450 400 T N 1.800 116.368 114.554 0.023 0.000 2.737 400 T HA -0.201 4.149 4.350 -0.000 0.000 0.269 400 T C 1.339 175.990 174.700 -0.082 0.000 1.040 400 T CA 1.435 63.500 62.100 -0.059 0.000 1.142 400 T CB -0.697 68.171 68.868 0.000 0.000 0.861 400 T HN 0.457 nan 8.240 nan 0.000 0.456 401 W N 1.655 122.866 121.300 -0.147 0.000 2.290 401 W HA -0.249 4.411 4.660 -0.000 0.000 0.323 401 W C 2.284 178.755 176.519 -0.080 0.000 1.260 401 W CA 1.800 59.059 57.345 -0.143 0.000 1.266 401 W CB -0.420 28.952 29.460 -0.146 0.000 1.149 401 W HN 0.531 nan 8.180 nan 0.000 0.482 402 W N 2.670 123.533 121.300 -0.728 0.000 2.443 402 W HA -0.107 4.553 4.660 -0.000 0.000 0.296 402 W C 2.237 178.587 176.519 -0.282 0.000 1.202 402 W CA 2.246 59.199 57.345 -0.654 0.000 1.312 402 W CB -1.570 27.532 29.460 -0.597 0.000 1.120 402 W HN -0.052 nan 8.180 nan 0.000 0.536 403 T N -0.329 113.514 114.554 -1.186 0.000 2.760 403 T HA -0.288 4.062 4.350 -0.000 0.000 0.269 403 T C 1.505 176.000 174.700 -0.342 0.000 1.047 403 T CA 2.010 63.502 62.100 -1.013 0.000 1.139 403 T CB -0.507 67.946 68.868 -0.691 0.000 0.855 403 T HN 0.176 nan 8.240 nan 0.000 0.471 404 E N -0.005 120.015 120.200 -0.301 0.000 2.075 404 E HA 0.054 4.404 4.350 -0.000 0.000 0.190 404 E C 0.398 176.919 176.600 -0.132 0.000 0.969 404 E CA 0.053 56.298 56.400 -0.258 0.000 0.815 404 E CB -0.336 29.210 29.700 -0.257 0.000 0.776 404 E HN 0.531 nan 8.360 nan 0.000 0.457 405 Y N 1.651 121.720 120.300 -0.386 0.000 2.828 405 Y HA -0.145 4.405 4.550 -0.000 0.000 0.359 405 Y C -0.158 175.791 175.900 0.082 0.000 1.258 405 Y CA -0.543 57.345 58.100 -0.353 0.000 1.652 405 Y CB -0.678 37.257 38.460 -0.876 0.000 1.232 405 Y HN 0.108 nan 8.280 nan 0.000 0.513 406 W N 8.190 129.486 121.300 -0.007 0.000 1.371 406 W HA 0.154 4.813 4.660 -0.000 0.000 0.482 406 W C 0.278 176.662 176.519 -0.225 0.000 0.640 406 W CA -0.150 57.124 57.345 -0.118 0.000 2.164 406 W CB 0.050 29.468 29.460 -0.070 0.000 1.613 406 W HN 0.425 nan 8.180 nan 0.000 0.212 407 Q N 1.746 121.372 119.800 -0.289 0.000 2.598 407 Q HA 0.144 4.484 4.340 -0.000 0.000 0.237 407 Q C -1.069 174.666 176.000 -0.441 0.000 0.914 407 Q CA -0.259 55.269 55.803 -0.459 0.000 1.065 407 Q CB 1.304 29.614 28.738 -0.714 0.000 1.586 407 Q HN 0.274 nan 8.270 nan 0.000 0.484 408 A N 2.742 125.439 122.820 -0.205 0.000 2.566 408 A HA 0.473 4.793 4.320 -0.000 0.000 0.245 408 A C -0.297 177.273 177.584 -0.024 0.000 1.056 408 A CA 1.092 53.079 52.037 -0.083 0.000 0.757 408 A CB 0.205 19.169 19.000 -0.061 0.000 0.979 408 A HN 0.591 nan 8.150 nan 0.000 0.508 409 T N 3.683 118.293 114.554 0.093 0.000 3.047 409 T HA 0.555 4.905 4.350 -0.000 0.000 0.340 409 T C -1.053 173.900 174.700 0.422 0.000 1.421 409 T CA -0.342 61.918 62.100 0.266 0.000 1.090 409 T CB 0.979 70.056 68.868 0.348 0.000 1.292 409 T HN 1.211 nan 8.240 nan 0.000 0.480 410 W N 4.149 125.566 121.300 0.195 0.000 2.961 410 W HA 0.815 5.475 4.660 -0.000 0.000 0.368 410 W C -2.799 173.728 176.519 0.014 0.000 1.213 410 W CA -1.364 56.093 57.345 0.187 0.000 1.173 410 W CB 0.214 29.681 29.460 0.011 0.000 1.487 410 W HN 0.672 nan 8.180 nan 0.000 0.585 411 I N 2.546 122.412 120.570 -1.172 0.000 2.692 411 I HA 0.300 4.470 4.170 -0.000 0.000 0.293 411 I C -2.087 172.960 176.117 -1.783 0.000 1.200 411 I CA -2.143 58.253 61.300 -1.505 0.000 1.036 411 I CB 2.535 39.804 38.000 -1.217 0.000 1.258 411 I HN 0.014 nan 8.210 nan 0.000 0.421 412 P HA 0.020 nan 4.420 nan 0.000 0.273 412 P C -0.412 176.823 177.300 -0.108 0.000 1.250 412 P CA -0.252 62.479 63.100 -0.614 0.000 0.793 412 P CB 0.551 32.186 31.700 -0.108 0.000 1.011 413 E N 1.286 121.546 120.200 0.100 0.000 2.900 413 E HA -0.082 4.268 4.350 -0.000 0.000 0.259 413 E C -0.774 175.982 176.600 0.260 0.000 0.918 413 E CA 0.383 56.865 56.400 0.138 0.000 0.960 413 E CB 0.015 29.765 29.700 0.083 0.000 0.908 413 E HN 0.382 nan 8.360 nan 0.000 0.511 414 W N 3.883 125.183 121.300 -0.000 0.000 3.372 414 W HA 0.399 5.059 4.660 -0.000 0.000 0.315 414 W C -1.422 175.121 176.519 0.040 0.000 1.223 414 W CA -0.912 56.449 57.345 0.027 0.000 1.202 414 W CB 0.056 29.466 29.460 -0.083 0.000 1.367 414 W HN 0.627 nan 8.180 nan 0.000 0.531 415 E N 2.098 122.353 120.200 0.092 0.000 2.264 415 E HA 0.671 5.021 4.350 -0.000 0.000 0.260 415 E C -1.683 175.047 176.600 0.216 0.000 0.961 415 E CA -0.852 55.507 56.400 -0.068 0.000 0.834 415 E CB 2.636 32.338 29.700 0.002 0.000 1.230 415 E HN 0.248 nan 8.360 nan 0.000 0.412 416 F N 1.512 121.472 119.950 0.017 0.000 2.375 416 F HA 0.488 5.015 4.527 -0.000 0.000 0.333 416 F C -1.062 174.837 175.800 0.165 0.000 1.104 416 F CA -0.433 57.687 58.000 0.199 0.000 1.149 416 F CB 1.243 40.322 39.000 0.131 0.000 1.190 416 F HN 0.248 nan 8.300 nan 0.000 0.533 417 V N 5.232 124.594 119.914 -0.921 0.000 2.623 417 V HA 0.244 4.364 4.120 -0.000 0.000 0.304 417 V C -1.053 174.424 176.094 -1.029 0.000 1.054 417 V CA -0.982 60.909 62.300 -0.681 0.000 0.882 417 V CB 1.769 33.454 31.823 -0.230 0.000 1.002 417 V HN 0.729 nan 8.190 nan 0.000 0.424 418 N N 3.160 121.503 118.700 -0.595 0.000 2.609 418 N HA 0.514 5.254 4.740 -0.000 0.000 0.234 418 N C 0.361 175.823 175.510 -0.081 0.000 1.001 418 N CA 0.473 53.378 53.050 -0.242 0.000 0.926 418 N CB 1.320 39.872 38.487 0.108 0.000 1.130 418 N HN 0.894 nan 8.380 nan 0.000 0.510 419 T N -0.723 113.791 114.554 -0.066 0.000 3.661 419 T HA 0.295 4.645 4.350 -0.000 0.000 0.243 419 T C -1.819 172.878 174.700 -0.006 0.000 0.931 419 T CA -0.105 61.981 62.100 -0.023 0.000 1.115 419 T CB -0.779 68.071 68.868 -0.030 0.000 1.115 419 T HN 0.307 nan 8.240 nan 0.000 0.378 420 P HA 0.402 nan 4.420 nan 0.000 0.297 420 P C -2.659 174.639 177.300 -0.004 0.000 1.303 420 P CA -1.073 62.018 63.100 -0.015 0.000 0.753 420 P CB -0.536 31.146 31.700 -0.030 0.000 1.281 421 P HA 0.097 nan 4.420 nan 0.000 0.252 421 P C 0.242 177.547 177.300 0.007 0.000 1.635 421 P CA 0.136 63.237 63.100 0.002 0.000 1.206 421 P CB -0.671 31.013 31.700 -0.027 0.000 1.911 422 L N 1.820 123.070 121.223 0.045 0.000 2.769 422 L HA -0.088 4.252 4.340 -0.000 0.000 0.293 422 L C 0.929 177.825 176.870 0.042 0.000 1.224 422 L CA 0.246 55.128 54.840 0.069 0.000 0.906 422 L CB -0.429 41.712 42.059 0.137 0.000 1.193 422 L HN 0.083 nan 8.230 nan 0.000 0.488 423 V N 4.079 124.007 119.914 0.024 0.000 2.614 423 V HA 0.341 4.461 4.120 -0.000 0.000 0.291 423 V C 0.257 176.296 176.094 -0.092 0.000 1.049 423 V CA -0.011 62.267 62.300 -0.036 0.000 1.038 423 V CB 1.092 32.950 31.823 0.058 0.000 0.980 423 V HN 0.944 nan 8.190 nan 0.000 0.481 424 K N 3.853 124.070 120.400 -0.305 0.000 2.625 424 K HA 0.638 4.958 4.320 -0.000 0.000 0.284 424 K C -1.707 174.416 176.600 -0.794 0.000 0.984 424 K CA -1.037 55.013 56.287 -0.394 0.000 0.865 424 K CB 1.168 33.511 32.500 -0.261 0.000 1.468 424 K HN 0.314 nan 8.250 nan 0.000 0.407 425 L N -0.053 120.828 121.223 -0.570 0.000 2.350 425 L HA 0.566 4.906 4.340 -0.000 0.000 0.275 425 L C 0.455 177.006 176.870 -0.531 0.000 1.099 425 L CA -0.164 54.303 54.840 -0.622 0.000 0.808 425 L CB -0.527 41.335 42.059 -0.328 0.000 1.149 425 L HN 0.840 nan 8.230 nan 0.000 0.442 426 W N 0.823 122.098 121.300 -0.042 0.000 2.562 426 W HA 0.162 4.822 4.660 -0.000 0.000 0.313 426 W C 0.465 177.025 176.519 0.069 0.000 1.087 426 W CA 0.173 57.540 57.345 0.037 0.000 1.384 426 W CB -0.517 29.003 29.460 0.099 0.000 1.237 426 W HN 0.591 nan 8.180 nan 0.000 0.466 427 Y N 1.483 121.958 120.300 0.291 0.000 2.301 427 Y HA 0.378 4.928 4.550 -0.000 0.000 0.328 427 Y C -0.197 175.761 175.900 0.097 0.000 1.242 427 Y CA -1.123 57.074 58.100 0.161 0.000 1.323 427 Y CB 0.442 38.979 38.460 0.129 0.000 1.266 427 Y HN 0.152 nan 8.280 nan 0.000 0.527 428 Q N 5.033 124.966 119.800 0.221 0.000 2.309 428 Q HA 0.287 4.627 4.340 -0.000 0.000 0.254 428 Q C -1.549 174.537 176.000 0.144 0.000 0.938 428 Q CA -0.725 55.130 55.803 0.086 0.000 0.789 428 Q CB 1.252 30.006 28.738 0.026 0.000 1.313 428 Q HN 0.877 nan 8.270 nan 0.000 0.438 429 L N 2.454 123.765 121.223 0.147 0.000 2.536 429 L HA 0.007 4.347 4.340 -0.000 0.000 0.294 429 L C 0.736 177.649 176.870 0.071 0.000 1.257 429 L CA 1.140 56.044 54.840 0.108 0.000 0.850 429 L CB 0.063 42.144 42.059 0.037 0.000 1.105 429 L HN 0.677 nan 8.230 nan 0.000 0.517 430 E N 2.266 122.533 120.200 0.112 0.000 2.319 430 E HA 0.156 4.506 4.350 -0.000 0.000 0.268 430 E C 0.677 177.354 176.600 0.128 0.000 1.050 430 E CA -0.516 55.956 56.400 0.119 0.000 0.878 430 E CB 1.092 30.881 29.700 0.148 0.000 1.066 430 E HN 0.382 nan 8.360 nan 0.000 0.406 431 K N 0.912 121.363 120.400 0.084 0.000 1.965 431 K HA -0.052 4.268 4.320 -0.000 0.000 0.214 431 K C 0.542 177.232 176.600 0.150 0.000 1.046 431 K CA 1.026 57.350 56.287 0.061 0.000 0.944 431 K CB 0.109 32.621 32.500 0.020 0.000 0.726 431 K HN 0.357 nan 8.250 nan 0.000 0.441 432 E N 1.255 121.536 120.200 0.135 0.000 2.179 432 E HA 0.190 4.540 4.350 -0.000 0.000 0.275 432 E C -2.488 174.114 176.600 0.003 0.000 0.945 432 E CA -2.597 53.871 56.400 0.114 0.000 0.792 432 E CB 1.297 31.018 29.700 0.034 0.000 1.125 432 E HN 0.080 nan 8.360 nan 0.000 0.397 433 P HA -0.029 nan 4.420 nan 0.000 0.252 433 P C 0.179 177.270 177.300 -0.348 0.000 1.183 433 P CA -0.148 62.474 63.100 -0.797 0.000 0.973 433 P CB -0.101 31.138 31.700 -0.769 0.000 0.990 434 I N 5.248 125.670 120.570 -0.247 0.000 2.892 434 I HA -0.071 4.099 4.170 -0.000 0.000 0.287 434 I C 0.017 176.054 176.117 -0.134 0.000 1.205 434 I CA -0.152 61.071 61.300 -0.129 0.000 1.409 434 I CB 0.781 38.741 38.000 -0.067 0.000 1.367 434 I HN 0.097 nan 8.210 nan 0.000 0.597 435 V N 6.555 126.415 119.914 -0.090 0.000 2.539 435 V HA 0.666 4.786 4.120 -0.000 0.000 0.292 435 V C 0.803 176.858 176.094 -0.065 0.000 1.045 435 V CA 0.320 62.572 62.300 -0.080 0.000 0.945 435 V CB 0.642 32.428 31.823 -0.062 0.000 0.993 435 V HN 1.043 nan 8.190 nan 0.000 0.464 436 G N 2.748 111.507 108.800 -0.069 0.000 2.141 436 G HA2 0.248 4.207 3.960 -0.000 0.000 0.164 436 G HA3 0.248 4.207 3.960 -0.000 0.000 0.164 436 G C -0.114 174.745 174.900 -0.068 0.000 1.009 436 G CA 0.159 45.224 45.100 -0.058 0.000 0.677 436 G HN 1.556 nan 8.290 nan 0.000 0.508 437 A N -0.357 122.407 122.820 -0.094 0.000 2.587 437 A HA 0.810 5.130 4.320 -0.000 0.000 0.293 437 A C -0.351 177.125 177.584 -0.179 0.000 1.087 437 A CA -0.580 51.385 52.037 -0.121 0.000 0.692 437 A CB 1.050 19.989 19.000 -0.102 0.000 1.291 437 A HN 0.385 nan 8.150 nan 0.000 0.407 438 E N 1.102 121.134 120.200 -0.281 0.000 2.290 438 E HA 0.312 4.662 4.350 -0.000 0.000 0.277 438 E C 0.046 176.372 176.600 -0.456 0.000 1.035 438 E CA 0.073 56.222 56.400 -0.418 0.000 0.873 438 E CB 0.693 29.990 29.700 -0.672 0.000 1.029 438 E HN 0.582 nan 8.360 nan 0.000 0.419 439 T N 2.539 116.954 114.554 -0.232 0.000 3.414 439 T HA 0.148 4.498 4.350 -0.000 0.000 0.304 439 T C -0.025 174.754 174.700 0.132 0.000 1.241 439 T CA -0.730 61.344 62.100 -0.043 0.000 1.076 439 T CB -0.710 68.192 68.868 0.056 0.000 1.134 439 T HN 0.155 nan 8.240 nan 0.000 0.759 440 F N 2.436 122.509 119.950 0.205 0.000 2.587 440 F HA 0.322 4.849 4.527 -0.000 0.000 0.319 440 F C 0.446 176.483 175.800 0.396 0.000 1.253 440 F CA -0.529 57.637 58.000 0.277 0.000 1.345 440 F CB 0.173 39.358 39.000 0.308 0.000 1.172 440 F HN 0.451 nan 8.300 nan 0.000 0.588 441 Y N 0.057 120.565 120.300 0.346 0.000 2.400 441 Y HA 0.414 4.964 4.550 -0.000 0.000 0.335 441 Y C -0.486 175.519 175.900 0.174 0.000 1.066 441 Y CA -1.037 57.173 58.100 0.183 0.000 1.285 441 Y CB 0.833 39.359 38.460 0.110 0.000 1.103 441 Y HN 0.208 nan 8.280 nan 0.000 0.490 442 V N 1.925 121.965 119.914 0.210 0.000 3.336 442 V HA 0.598 4.718 4.120 -0.000 0.000 0.304 442 V C -0.214 175.938 176.094 0.096 0.000 1.073 442 V CA -0.354 62.032 62.300 0.143 0.000 1.074 442 V CB 1.775 33.636 31.823 0.064 0.000 1.161 442 V HN 0.697 nan 8.190 nan 0.000 0.460 443 D N -1.991 118.453 120.400 0.073 0.000 2.926 443 D HA 0.584 5.224 4.640 -0.000 0.000 0.272 443 D C -0.518 175.810 176.300 0.047 0.000 1.172 443 D CA 0.485 54.518 54.000 0.055 0.000 0.731 443 D CB 1.679 42.515 40.800 0.060 0.000 1.282 443 D HN 1.054 nan 8.370 nan 0.000 0.430 444 G N -0.465 108.362 108.800 0.044 0.000 2.495 444 G HA2 0.964 4.924 3.960 -0.000 0.000 0.294 444 G HA3 0.964 4.924 3.960 -0.000 0.000 0.294 444 G C -1.575 173.351 174.900 0.042 0.000 1.397 444 G CA 0.167 45.291 45.100 0.040 0.000 0.790 444 G HN 1.197 nan 8.290 nan 0.000 0.486 445 A N -1.979 120.864 122.820 0.039 0.000 2.440 445 A HA 1.037 5.357 4.320 -0.000 0.000 0.298 445 A C -0.506 177.097 177.584 0.031 0.000 0.955 445 A CA 0.617 52.677 52.037 0.038 0.000 0.581 445 A CB 0.245 19.270 19.000 0.041 0.000 1.424 445 A HN 2.792 nan 8.150 nan 0.000 0.484 446 A N 0.157 122.995 122.820 0.029 0.000 2.467 446 A HA 0.863 5.183 4.320 -0.000 0.000 0.301 446 A C -1.389 176.208 177.584 0.023 0.000 1.126 446 A CA 0.139 52.190 52.037 0.024 0.000 0.632 446 A CB 0.733 19.746 19.000 0.021 0.000 1.331 446 A HN 2.012 nan 8.150 nan 0.000 0.482 447 N N -1.021 117.690 118.700 0.019 0.000 2.249 447 N HA 0.474 5.214 4.740 -0.000 0.000 0.296 447 N C 0.965 176.482 175.510 0.013 0.000 1.051 447 N CA 0.338 53.399 53.050 0.017 0.000 0.815 447 N CB 2.101 40.598 38.487 0.017 0.000 1.487 447 N HN 1.046 nan 8.380 nan 0.000 0.475 448 R N 1.840 122.346 120.500 0.011 0.000 2.159 448 R HA -0.271 4.069 4.340 -0.000 0.000 0.252 448 R C 2.126 178.431 176.300 0.008 0.000 1.144 448 R CA 3.135 59.240 56.100 0.008 0.000 0.961 448 R CB -2.111 28.193 30.300 0.006 0.000 0.877 448 R HN 0.879 nan 8.270 nan 0.000 0.444 449 E N 0.278 120.483 120.200 0.009 0.000 2.072 449 E HA -0.141 4.209 4.350 -0.000 0.000 0.190 449 E C 2.394 179.000 176.600 0.009 0.000 0.982 449 E CA 2.064 58.469 56.400 0.009 0.000 0.803 449 E CB -1.292 28.413 29.700 0.009 0.000 0.755 449 E HN 0.918 nan 8.360 nan 0.000 0.453 450 T N -1.153 113.408 114.554 0.011 0.000 2.607 450 T HA -0.251 4.099 4.350 -0.000 0.000 0.267 450 T C 1.571 176.277 174.700 0.011 0.000 1.049 450 T CA 1.889 63.996 62.100 0.011 0.000 1.162 450 T CB -0.350 68.526 68.868 0.013 0.000 0.863 450 T HN 0.572 nan 8.240 nan 0.000 0.424 451 K N -0.095 120.312 120.400 0.011 0.000 3.547 451 K HA -0.169 4.151 4.320 -0.000 0.000 0.309 451 K C -0.081 176.527 176.600 0.013 0.000 1.324 451 K CA 1.111 57.405 56.287 0.011 0.000 0.988 451 K CB -2.378 30.128 32.500 0.010 0.000 1.261 451 K HN 0.747 nan 8.250 nan 0.000 0.444 452 L N -3.785 117.446 121.223 0.013 0.000 2.350 452 L HA 0.961 5.301 4.340 -0.000 0.000 0.260 452 L C 0.121 177.001 176.870 0.015 0.000 1.015 452 L CA -0.253 54.595 54.840 0.014 0.000 0.821 452 L CB 2.692 44.759 42.059 0.012 0.000 1.370 452 L HN 0.007 nan 8.230 nan 0.000 0.416 453 G N 0.667 109.477 108.800 0.016 0.000 2.349 453 G HA2 0.413 4.373 3.960 -0.000 0.000 0.294 453 G HA3 0.413 4.373 3.960 -0.000 0.000 0.294 453 G C -1.951 172.959 174.900 0.018 0.000 1.380 453 G CA -1.005 44.105 45.100 0.018 0.000 0.811 453 G HN 0.688 nan 8.290 nan 0.000 0.519 454 K N -0.879 119.533 120.400 0.019 0.000 2.280 454 K HA 0.860 5.180 4.320 -0.000 0.000 0.234 454 K C -0.575 176.037 176.600 0.021 0.000 1.028 454 K CA -0.513 55.785 56.287 0.018 0.000 0.882 454 K CB 2.355 34.866 32.500 0.018 0.000 1.194 454 K HN 1.120 nan 8.250 nan 0.000 0.458 455 A N 0.596 123.426 122.820 0.017 0.000 2.541 455 A HA 0.634 4.954 4.320 -0.000 0.000 0.285 455 A C -0.682 176.903 177.584 0.002 0.000 1.058 455 A CA -0.254 51.791 52.037 0.013 0.000 0.886 455 A CB 1.003 20.010 19.000 0.011 0.000 1.411 455 A HN 0.764 nan 8.150 nan 0.000 0.403 456 G N 0.609 109.427 108.800 0.029 0.000 2.871 456 G HA2 0.865 4.825 3.960 -0.000 0.000 0.282 456 G HA3 0.865 4.825 3.960 -0.000 0.000 0.282 456 G C -0.801 174.210 174.900 0.186 0.000 1.212 456 G CA 0.110 45.254 45.100 0.074 0.000 0.812 456 G HN 1.822 nan 8.290 nan 0.000 0.547 457 Y N -3.378 116.891 120.300 -0.052 0.000 2.871 457 Y HA 0.754 5.304 4.550 -0.000 0.000 0.331 457 Y C -1.247 174.647 175.900 -0.010 0.000 1.378 457 Y CA -1.460 56.624 58.100 -0.027 0.000 1.079 457 Y CB 0.991 39.395 38.460 -0.093 0.000 1.441 457 Y HN 0.587 nan 8.280 nan 0.000 0.446 458 V N 0.125 119.996 119.914 -0.073 0.000 3.119 458 V HA 0.835 4.955 4.120 -0.000 0.000 0.309 458 V C -0.838 175.207 176.094 -0.082 0.000 1.304 458 V CA -0.378 61.811 62.300 -0.184 0.000 1.057 458 V CB 1.697 33.471 31.823 -0.083 0.000 1.150 458 V HN 0.921 nan 8.190 nan 0.000 0.474 459 T N -0.086 114.454 114.554 -0.023 0.000 3.087 459 T HA 0.192 4.542 4.350 -0.000 0.000 0.351 459 T C 0.501 175.161 174.700 -0.067 0.000 1.520 459 T CA -0.008 62.153 62.100 0.102 0.000 1.111 459 T CB 1.167 70.150 68.868 0.192 0.000 1.353 459 T HN 0.884 nan 8.240 nan 0.000 0.481 460 N N 3.499 122.143 118.700 -0.093 0.000 2.182 460 N HA -0.178 4.562 4.740 -0.000 0.000 0.192 460 N C 0.626 176.074 175.510 -0.103 0.000 1.007 460 N CA 1.322 54.294 53.050 -0.129 0.000 0.873 460 N CB -0.379 38.053 38.487 -0.092 0.000 0.998 460 N HN 0.665 nan 8.380 nan 0.000 0.436 461 K N 0.850 121.200 120.400 -0.083 0.000 3.225 461 K HA 0.164 4.483 4.320 -0.000 0.000 0.282 461 K C 1.128 177.689 176.600 -0.066 0.000 1.060 461 K CA 0.328 56.576 56.287 -0.067 0.000 1.186 461 K CB -0.635 31.833 32.500 -0.054 0.000 1.214 461 K HN 0.397 nan 8.250 nan 0.000 0.428 462 G N 2.092 110.842 108.800 -0.083 0.000 2.594 462 G HA2 -0.446 3.514 3.960 -0.000 0.000 0.249 462 G HA3 -0.446 3.514 3.960 -0.000 0.000 0.249 462 G C 0.514 175.360 174.900 -0.091 0.000 1.006 462 G CA 1.009 46.058 45.100 -0.085 0.000 0.656 462 G HN 0.579 nan 8.290 nan 0.000 0.565 463 R N 0.963 121.411 120.500 -0.086 0.000 2.758 463 R HA 0.368 4.708 4.340 -0.000 0.000 0.263 463 R C 0.490 176.670 176.300 -0.199 0.000 1.010 463 R CA 1.035 57.067 56.100 -0.113 0.000 1.114 463 R CB 0.135 30.384 30.300 -0.087 0.000 0.985 463 R HN 0.583 nan 8.270 nan 0.000 0.439 464 Q N 0.936 120.605 119.800 -0.219 0.000 3.078 464 Q HA 0.526 4.865 4.340 -0.000 0.000 0.348 464 Q C -1.520 174.332 176.000 -0.246 0.000 0.861 464 Q CA -1.051 54.588 55.803 -0.272 0.000 0.822 464 Q CB 1.774 30.434 28.738 -0.130 0.000 1.395 464 Q HN 0.605 nan 8.270 nan 0.000 0.497 465 K N -0.770 119.587 120.400 -0.072 0.000 2.976 465 K HA 0.425 4.745 4.320 -0.000 0.000 0.326 465 K C -2.343 174.337 176.600 0.134 0.000 1.180 465 K CA -0.273 56.063 56.287 0.082 0.000 0.936 465 K CB 0.820 33.490 32.500 0.283 0.000 1.355 465 K HN 0.342 nan 8.250 nan 0.000 0.388 466 V N 2.217 122.178 119.914 0.078 0.000 3.120 466 V HA 0.706 4.826 4.120 -0.000 0.000 0.303 466 V C -1.389 174.720 176.094 0.026 0.000 1.238 466 V CA -0.774 61.559 62.300 0.054 0.000 1.008 466 V CB 2.379 34.222 31.823 0.034 0.000 1.064 466 V HN 0.552 nan 8.190 nan 0.000 0.434 467 V N 4.314 124.236 119.914 0.013 0.000 2.610 467 V HA 0.374 4.494 4.120 -0.000 0.000 0.288 467 V C -2.623 173.474 176.094 0.005 0.000 1.055 467 V CA -1.001 61.300 62.300 0.001 0.000 0.902 467 V CB 2.321 34.135 31.823 -0.016 0.000 1.030 467 V HN 0.745 nan 8.190 nan 0.000 0.448 468 P HA 0.639 nan 4.420 nan 0.000 0.276 468 P C -1.492 175.814 177.300 0.010 0.000 1.244 468 P CA -0.176 62.930 63.100 0.010 0.000 0.801 468 P CB 2.036 33.742 31.700 0.009 0.000 1.006 469 L N -1.161 120.070 121.223 0.013 0.000 2.963 469 L HA 0.775 5.115 4.340 -0.000 0.000 0.273 469 L C -0.463 176.416 176.870 0.016 0.000 1.078 469 L CA -0.879 53.970 54.840 0.014 0.000 0.970 469 L CB -0.170 41.900 42.059 0.018 0.000 1.564 469 L HN 0.289 nan 8.230 nan 0.000 0.381 470 T N -0.303 114.261 114.554 0.016 0.000 2.868 470 T HA 0.630 4.980 4.350 -0.000 0.000 0.306 470 T C -0.988 173.722 174.700 0.017 0.000 1.224 470 T CA -0.460 61.650 62.100 0.016 0.000 1.012 470 T CB 1.472 70.347 68.868 0.013 0.000 1.221 470 T HN 0.759 nan 8.240 nan 0.000 0.499 471 N N 1.573 120.283 118.700 0.016 0.000 2.765 471 N HA -0.118 4.622 4.740 -0.000 0.000 0.254 471 N C -0.260 175.262 175.510 0.020 0.000 1.094 471 N CA 1.369 54.429 53.050 0.016 0.000 0.680 471 N CB -1.117 37.380 38.487 0.016 0.000 0.902 471 N HN 1.080 nan 8.380 nan 0.000 0.557 472 T N -3.965 110.601 114.554 0.020 0.000 2.637 472 T HA 0.823 5.173 4.350 -0.000 0.000 0.303 472 T C -0.128 174.584 174.700 0.019 0.000 1.288 472 T CA -0.014 62.101 62.100 0.024 0.000 1.040 472 T CB 2.530 71.415 68.868 0.030 0.000 1.644 472 T HN 0.421 nan 8.240 nan 0.000 0.480 473 T N -2.208 112.358 114.554 0.021 0.000 2.821 473 T HA 0.455 4.805 4.350 -0.000 0.000 0.306 473 T C 0.510 175.220 174.700 0.015 0.000 1.313 473 T CA -0.879 61.227 62.100 0.011 0.000 1.012 473 T CB 1.171 70.035 68.868 -0.006 0.000 1.298 473 T HN 0.617 nan 8.240 nan 0.000 0.502 474 N N 0.168 118.874 118.700 0.010 0.000 2.184 474 N HA -0.241 4.499 4.740 -0.000 0.000 0.190 474 N C 1.617 177.141 175.510 0.023 0.000 1.011 474 N CA 1.829 54.891 53.050 0.021 0.000 0.867 474 N CB -0.095 38.402 38.487 0.017 0.000 0.993 474 N HN 0.581 nan 8.380 nan 0.000 0.433 475 Q N 0.953 120.744 119.800 -0.014 0.000 2.008 475 Q HA 0.013 4.353 4.340 -0.000 0.000 0.196 475 Q C 1.951 177.999 176.000 0.079 0.000 0.973 475 Q CA 1.070 56.849 55.803 -0.040 0.000 0.826 475 Q CB 0.042 28.623 28.738 -0.262 0.000 0.894 475 Q HN 0.228 nan 8.270 nan 0.000 0.439 476 K N 0.199 120.638 120.400 0.065 0.000 2.044 476 K HA -0.205 4.115 4.320 -0.000 0.000 0.210 476 K C 2.345 178.997 176.600 0.088 0.000 1.049 476 K CA 1.873 58.220 56.287 0.099 0.000 0.927 476 K CB -0.643 31.897 32.500 0.066 0.000 0.713 476 K HN 0.449 nan 8.250 nan 0.000 0.443 477 T N 0.263 114.856 114.554 0.064 0.000 2.570 477 T HA -0.239 4.111 4.350 -0.000 0.000 0.266 477 T C 1.825 176.564 174.700 0.066 0.000 1.071 477 T CA 1.373 63.507 62.100 0.056 0.000 1.172 477 T CB -0.428 68.467 68.868 0.045 0.000 0.864 477 T HN 0.147 nan 8.240 nan 0.000 0.421 478 E N 0.673 120.923 120.200 0.083 0.000 2.160 478 E HA -0.073 4.277 4.350 -0.000 0.000 0.195 478 E C 2.143 178.802 176.600 0.099 0.000 0.991 478 E CA 0.855 57.311 56.400 0.094 0.000 0.810 478 E CB -0.346 29.428 29.700 0.123 0.000 0.742 478 E HN 0.369 nan 8.360 nan 0.000 0.466 479 L N 1.147 122.446 121.223 0.127 0.000 2.095 479 L HA -0.138 4.202 4.340 -0.000 0.000 0.204 479 L C 2.402 179.302 176.870 0.051 0.000 1.080 479 L CA 1.646 56.542 54.840 0.094 0.000 0.759 479 L CB -0.861 41.283 42.059 0.142 0.000 0.914 479 L HN 0.009 nan 8.230 nan 0.000 0.439 480 Q N 0.287 120.125 119.800 0.062 0.000 2.020 480 Q HA -0.139 4.201 4.340 -0.000 0.000 0.202 480 Q C 2.132 178.170 176.000 0.063 0.000 0.982 480 Q CA 2.350 58.195 55.803 0.071 0.000 0.838 480 Q CB -0.652 28.126 28.738 0.067 0.000 0.899 480 Q HN 0.485 nan 8.270 nan 0.000 0.423 481 A N 0.460 123.295 122.820 0.024 0.000 2.084 481 A HA -0.166 4.154 4.320 -0.000 0.000 0.221 481 A C 1.916 179.463 177.584 -0.062 0.000 1.161 481 A CA 1.470 53.489 52.037 -0.030 0.000 0.653 481 A CB -0.748 18.248 19.000 -0.005 0.000 0.802 481 A HN 0.502 nan 8.150 nan 0.000 0.457 482 I N -1.760 118.807 120.570 -0.005 0.000 2.202 482 I HA -0.191 3.979 4.170 -0.000 0.000 0.242 482 I C 2.319 178.436 176.117 0.001 0.000 1.091 482 I CA 1.233 62.527 61.300 -0.010 0.000 1.368 482 I CB -1.555 36.447 38.000 0.004 0.000 1.058 482 I HN 0.506 nan 8.210 nan 0.000 0.410 483 Y N 2.316 122.538 120.300 -0.130 0.000 2.096 483 Y HA -0.297 4.253 4.550 -0.000 0.000 0.276 483 Y C 2.446 178.228 175.900 -0.195 0.000 1.209 483 Y CA 1.525 59.542 58.100 -0.138 0.000 1.137 483 Y CB -0.917 37.478 38.460 -0.109 0.000 0.956 483 Y HN 0.059 nan 8.280 nan 0.000 0.506 484 L N -0.545 120.494 121.223 -0.306 0.000 1.921 484 L HA -0.278 4.062 4.340 -0.000 0.000 0.219 484 L C 2.810 179.313 176.870 -0.611 0.000 1.081 484 L CA 1.547 56.046 54.840 -0.569 0.000 0.771 484 L CB -1.526 40.112 42.059 -0.702 0.000 0.888 484 L HN 0.192 nan 8.230 nan 0.000 0.433 485 A N 0.077 122.372 122.820 -0.875 0.000 1.985 485 A HA -0.261 4.059 4.320 -0.000 0.000 0.223 485 A C 2.248 179.694 177.584 -0.230 0.000 1.189 485 A CA 2.234 53.792 52.037 -0.799 0.000 0.658 485 A CB -1.101 17.596 19.000 -0.505 0.000 0.820 485 A HN 0.435 nan 8.150 nan 0.000 0.464 486 L N -1.745 119.404 121.223 -0.123 0.000 1.961 486 L HA -0.279 4.061 4.340 -0.000 0.000 0.210 486 L C 2.892 179.757 176.870 -0.008 0.000 1.072 486 L CA 2.074 56.919 54.840 0.008 0.000 0.749 486 L CB -0.828 41.259 42.059 0.047 0.000 0.889 486 L HN 0.541 nan 8.230 nan 0.000 0.432 487 Q N 0.095 119.836 119.800 -0.099 0.000 2.096 487 Q HA -0.232 4.107 4.340 -0.000 0.000 0.208 487 Q C 0.369 176.327 176.000 -0.071 0.000 0.993 487 Q CA 1.857 57.583 55.803 -0.129 0.000 0.862 487 Q CB 0.064 28.591 28.738 -0.352 0.000 0.915 487 Q HN 0.445 nan 8.270 nan 0.000 0.416 488 D N 0.372 120.719 120.400 -0.089 0.000 2.870 488 D HA 0.120 4.760 4.640 -0.000 0.000 0.241 488 D C -0.335 176.097 176.300 0.220 0.000 1.234 488 D CA 0.075 54.092 54.000 0.028 0.000 0.844 488 D CB 0.482 41.282 40.800 -0.001 0.000 1.051 488 D HN 0.066 nan 8.370 nan 0.000 0.469 489 S N -1.225 114.588 115.700 0.187 0.000 3.362 489 S HA 0.859 5.329 4.470 -0.000 0.000 0.235 489 S C 1.086 175.762 174.600 0.127 0.000 1.026 489 S CA -0.146 58.196 58.200 0.236 0.000 1.257 489 S CB 1.787 65.115 63.200 0.213 0.000 1.187 489 S HN 0.356 nan 8.310 nan 0.000 0.660 490 G N 0.219 109.073 108.800 0.090 0.000 3.206 490 G HA2 0.059 4.018 3.960 -0.000 0.000 0.111 490 G HA3 0.059 4.018 3.960 -0.000 0.000 0.111 490 G C 0.330 175.256 174.900 0.044 0.000 1.043 490 G CA 0.145 45.279 45.100 0.057 0.000 1.273 490 G HN 0.696 nan 8.290 nan 0.000 0.502 491 L N -1.192 120.052 121.223 0.035 0.000 2.556 491 L HA 0.798 5.138 4.340 -0.000 0.000 0.226 491 L C 0.516 177.404 176.870 0.029 0.000 1.089 491 L CA 0.306 55.163 54.840 0.028 0.000 0.864 491 L CB 0.564 42.634 42.059 0.018 0.000 1.067 491 L HN 0.278 nan 8.230 nan 0.000 0.477 492 E N -0.853 119.364 120.200 0.028 0.000 2.449 492 E HA 0.715 5.065 4.350 -0.000 0.000 0.278 492 E C -1.662 174.955 176.600 0.029 0.000 1.059 492 E CA -0.542 55.873 56.400 0.025 0.000 0.854 492 E CB 3.143 32.841 29.700 -0.004 0.000 1.465 492 E HN -0.090 nan 8.360 nan 0.000 0.462 493 V N 1.328 121.257 119.914 0.025 0.000 2.827 493 V HA 0.277 4.397 4.120 -0.000 0.000 0.250 493 V C -2.223 173.911 176.094 0.067 0.000 1.755 493 V CA -0.629 61.688 62.300 0.029 0.000 0.888 493 V CB 1.770 33.677 31.823 0.140 0.000 1.303 493 V HN 0.683 nan 8.190 nan 0.000 0.470 494 N N 5.926 124.628 118.700 0.002 0.000 2.527 494 N HA 0.671 5.411 4.740 -0.000 0.000 0.236 494 N C -0.525 175.094 175.510 0.181 0.000 0.999 494 N CA -0.192 52.892 53.050 0.057 0.000 0.935 494 N CB 1.065 39.489 38.487 -0.107 0.000 1.132 494 N HN 0.667 nan 8.380 nan 0.000 0.511 495 I N 1.181 121.921 120.570 0.284 0.000 2.488 495 I HA 0.427 4.597 4.170 -0.000 0.000 0.299 495 I C -0.257 175.957 176.117 0.162 0.000 0.984 495 I CA -0.986 60.464 61.300 0.250 0.000 1.250 495 I CB 1.428 39.551 38.000 0.204 0.000 1.389 495 I HN -0.006 nan 8.210 nan 0.000 0.488 496 V N 4.162 124.125 119.914 0.080 0.000 2.447 496 V HA 0.404 4.524 4.120 -0.000 0.000 0.292 496 V C -0.275 175.758 176.094 -0.102 0.000 1.021 496 V CA -0.353 61.895 62.300 -0.088 0.000 0.850 496 V CB 1.799 33.388 31.823 -0.390 0.000 1.005 496 V HN 0.883 nan 8.190 nan 0.000 0.426 497 T N 1.753 116.249 114.554 -0.096 0.000 2.926 497 T HA 0.486 4.836 4.350 -0.000 0.000 0.289 497 T C 0.212 174.747 174.700 -0.275 0.000 1.054 497 T CA -0.461 61.582 62.100 -0.094 0.000 1.015 497 T CB 2.140 71.018 68.868 0.017 0.000 1.167 497 T HN 0.754 nan 8.240 nan 0.000 0.526 498 D N -1.180 119.064 120.400 -0.260 0.000 2.500 498 D HA 0.061 4.701 4.640 -0.000 0.000 0.218 498 D C 0.514 176.819 176.300 0.008 0.000 1.140 498 D CA -0.162 53.522 54.000 -0.527 0.000 0.830 498 D CB 0.103 40.689 40.800 -0.357 0.000 1.055 498 D HN 0.368 nan 8.370 nan 0.000 0.512 499 S N 0.705 116.515 115.700 0.183 0.000 2.399 499 S HA 0.145 4.615 4.470 -0.000 0.000 0.301 499 S C 1.079 175.925 174.600 0.410 0.000 1.093 499 S CA -0.389 58.008 58.200 0.327 0.000 1.077 499 S CB 1.380 64.718 63.200 0.231 0.000 0.980 499 S HN 0.081 nan 8.310 nan 0.000 0.494 500 Q N 3.867 123.942 119.800 0.457 0.000 2.045 500 Q HA -0.196 4.144 4.340 -0.000 0.000 0.206 500 Q C 1.320 177.431 176.000 0.186 0.000 0.991 500 Q CA 2.399 58.325 55.803 0.205 0.000 0.851 500 Q CB -0.379 28.377 28.738 0.030 0.000 0.911 500 Q HN 0.975 nan 8.270 nan 0.000 0.418 501 Y N 0.303 120.663 120.300 0.100 0.000 1.938 501 Y HA -0.417 4.133 4.550 -0.000 0.000 0.253 501 Y C 2.023 177.967 175.900 0.074 0.000 1.163 501 Y CA 2.301 60.450 58.100 0.082 0.000 1.086 501 Y CB -1.079 37.432 38.460 0.084 0.000 0.928 501 Y HN 0.194 nan 8.280 nan 0.000 0.493 502 A N 0.584 123.346 122.820 -0.097 0.000 1.865 502 A HA -0.248 4.072 4.320 -0.000 0.000 0.217 502 A C 2.425 179.926 177.584 -0.138 0.000 1.191 502 A CA 2.050 53.944 52.037 -0.238 0.000 0.623 502 A CB -1.573 17.427 19.000 0.000 0.000 0.826 502 A HN 0.782 nan 8.150 nan 0.000 0.444 503 L N -0.402 120.826 121.223 0.007 0.000 2.030 503 L HA -0.238 4.102 4.340 -0.000 0.000 0.222 503 L C 2.366 179.224 176.870 -0.021 0.000 1.082 503 L CA 2.649 57.510 54.840 0.034 0.000 0.785 503 L CB -0.801 41.343 42.059 0.140 0.000 0.895 503 L HN 0.378 nan 8.230 nan 0.000 0.439 504 G N -0.011 108.769 108.800 -0.033 0.000 2.453 504 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.215 504 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.215 504 G C 1.503 176.363 174.900 -0.066 0.000 1.201 504 G CA 1.068 46.146 45.100 -0.037 0.000 0.784 504 G HN 0.523 nan 8.290 nan 0.000 0.545 505 I N 1.299 121.769 120.570 -0.167 0.000 2.290 505 I HA -0.242 3.928 4.170 -0.000 0.000 0.253 505 I C 2.413 178.464 176.117 -0.110 0.000 1.112 505 I CA 0.882 62.068 61.300 -0.190 0.000 1.377 505 I CB -0.494 37.240 38.000 -0.444 0.000 1.060 505 I HN 0.158 nan 8.210 nan 0.000 0.428 506 I N 0.234 120.759 120.570 -0.075 0.000 2.296 506 I HA -0.182 3.988 4.170 -0.000 0.000 0.242 506 I C 2.514 178.680 176.117 0.082 0.000 1.087 506 I CA 1.196 62.512 61.300 0.026 0.000 1.393 506 I CB -1.674 36.331 38.000 0.009 0.000 1.093 506 I HN 0.242 nan 8.210 nan 0.000 0.421 507 Q N 1.085 120.896 119.800 0.018 0.000 2.182 507 Q HA -0.264 4.076 4.340 -0.000 0.000 0.213 507 Q C 2.311 178.286 176.000 -0.042 0.000 1.000 507 Q CA 2.867 58.660 55.803 -0.016 0.000 0.889 507 Q CB -0.247 28.460 28.738 -0.051 0.000 0.932 507 Q HN 0.578 nan 8.270 nan 0.000 0.415 508 A N 0.029 122.830 122.820 -0.032 0.000 2.042 508 A HA -0.254 4.066 4.320 -0.000 0.000 0.222 508 A C 0.401 177.965 177.584 -0.033 0.000 1.167 508 A CA 1.636 53.641 52.037 -0.053 0.000 0.649 508 A CB -0.260 18.744 19.000 0.006 0.000 0.809 508 A HN 0.617 nan 8.150 nan 0.000 0.457 509 Q N -2.660 117.099 119.800 -0.068 0.000 2.419 509 Q HA -0.104 4.236 4.340 -0.000 0.000 0.316 509 Q C -2.573 173.316 176.000 -0.185 0.000 1.434 509 Q CA 0.244 55.869 55.803 -0.296 0.000 0.780 509 Q CB -2.011 26.547 28.738 -0.299 0.000 1.083 509 Q HN 0.455 nan 8.270 nan 0.000 0.357 510 P HA 0.007 nan 4.420 nan 0.000 0.276 510 P C 0.264 177.639 177.300 0.126 0.000 1.243 510 P CA -0.022 63.117 63.100 0.065 0.000 0.768 510 P CB 0.660 32.414 31.700 0.090 0.000 0.856 511 D N 3.701 124.145 120.400 0.074 0.000 2.289 511 D HA -0.035 4.605 4.640 -0.000 0.000 0.207 511 D C 0.309 176.699 176.300 0.150 0.000 0.966 511 D CA 1.068 55.155 54.000 0.146 0.000 0.868 511 D CB 0.584 41.431 40.800 0.078 0.000 0.943 511 D HN 0.410 nan 8.370 nan 0.000 0.514 512 K N -1.482 118.983 120.400 0.109 0.000 2.395 512 K HA 0.486 4.805 4.320 -0.000 0.000 0.272 512 K C -1.186 175.474 176.600 0.100 0.000 0.984 512 K CA -0.922 55.419 56.287 0.091 0.000 0.816 512 K CB 1.642 34.188 32.500 0.077 0.000 1.504 512 K HN -0.109 nan 8.250 nan 0.000 0.375 513 S N -0.541 115.218 115.700 0.099 0.000 2.754 513 S HA -0.009 4.461 4.470 -0.000 0.000 0.302 513 S C -0.175 174.490 174.600 0.108 0.000 0.922 513 S CA -0.473 57.825 58.200 0.164 0.000 0.822 513 S CB 1.316 64.637 63.200 0.203 0.000 1.020 513 S HN 0.733 nan 8.310 nan 0.000 0.475 514 E N 2.094 122.355 120.200 0.101 0.000 2.209 514 E HA -0.044 4.306 4.350 -0.000 0.000 0.196 514 E C 0.308 176.946 176.600 0.062 0.000 0.993 514 E CA 0.914 57.351 56.400 0.061 0.000 0.819 514 E CB -0.043 29.684 29.700 0.044 0.000 0.745 514 E HN 0.572 nan 8.360 nan 0.000 0.477 515 S N 1.892 117.651 115.700 0.099 0.000 2.505 515 S HA 0.038 4.508 4.470 -0.000 0.000 0.276 515 S C 0.915 175.521 174.600 0.010 0.000 1.274 515 S CA -0.529 57.712 58.200 0.069 0.000 1.053 515 S CB 1.311 64.580 63.200 0.116 0.000 0.919 515 S HN 0.158 nan 8.310 nan 0.000 0.490 516 E N 2.483 122.676 120.200 -0.011 0.000 2.023 516 E HA -0.146 4.203 4.350 -0.000 0.000 0.196 516 E C 2.028 178.560 176.600 -0.114 0.000 1.003 516 E CA 0.772 57.143 56.400 -0.049 0.000 0.809 516 E CB -0.296 29.382 29.700 -0.036 0.000 0.755 516 E HN 0.550 nan 8.360 nan 0.000 0.449 517 L N 1.300 122.451 121.223 -0.120 0.000 1.987 517 L HA -0.250 4.090 4.340 -0.000 0.000 0.230 517 L C 2.573 179.280 176.870 -0.273 0.000 1.089 517 L CA 2.421 57.136 54.840 -0.210 0.000 0.802 517 L CB -1.192 40.803 42.059 -0.106 0.000 0.905 517 L HN 0.064 nan 8.230 nan 0.000 0.441 518 V N -0.994 118.808 119.914 -0.186 0.000 2.490 518 V HA -0.226 3.894 4.120 -0.000 0.000 0.250 518 V C 2.431 178.418 176.094 -0.180 0.000 1.061 518 V CA 1.882 64.055 62.300 -0.212 0.000 1.064 518 V CB -1.268 30.384 31.823 -0.284 0.000 0.670 518 V HN 0.503 nan 8.190 nan 0.000 0.461 519 N N 0.636 119.257 118.700 -0.132 0.000 2.142 519 N HA -0.174 4.566 4.740 -0.000 0.000 0.186 519 N C 2.000 177.432 175.510 -0.130 0.000 1.023 519 N CA 1.884 54.883 53.050 -0.084 0.000 0.852 519 N CB -0.193 38.266 38.487 -0.047 0.000 0.998 519 N HN 0.674 nan 8.380 nan 0.000 0.424 520 Q N 0.244 119.912 119.800 -0.219 0.000 2.020 520 Q HA -0.043 4.297 4.340 -0.000 0.000 0.202 520 Q C 2.230 178.045 176.000 -0.308 0.000 0.982 520 Q CA 1.172 56.797 55.803 -0.297 0.000 0.838 520 Q CB -0.117 28.307 28.738 -0.524 0.000 0.899 520 Q HN 0.425 nan 8.270 nan 0.000 0.423 521 I N 0.885 121.229 120.570 -0.376 0.000 2.381 521 I HA -0.327 3.843 4.170 -0.000 0.000 0.255 521 I C 2.081 178.060 176.117 -0.230 0.000 1.140 521 I CA 1.130 62.273 61.300 -0.261 0.000 1.404 521 I CB -0.409 37.457 38.000 -0.223 0.000 1.075 521 I HN 0.255 nan 8.210 nan 0.000 0.433 522 I N 0.151 120.603 120.570 -0.198 0.000 2.110 522 I HA -0.230 3.940 4.170 -0.000 0.000 0.236 522 I C 2.538 178.549 176.117 -0.176 0.000 1.068 522 I CA 1.169 62.354 61.300 -0.192 0.000 1.333 522 I CB -0.614 37.398 38.000 0.020 0.000 1.054 522 I HN 0.143 nan 8.210 nan 0.000 0.402 523 E N 0.846 120.992 120.200 -0.090 0.000 2.187 523 E HA -0.343 4.007 4.350 -0.000 0.000 0.199 523 E C 2.387 178.951 176.600 -0.060 0.000 1.004 523 E CA 2.214 58.577 56.400 -0.063 0.000 0.813 523 E CB -0.352 29.316 29.700 -0.053 0.000 0.736 523 E HN 0.700 nan 8.360 nan 0.000 0.468 524 Q N 0.518 120.279 119.800 -0.066 0.000 2.046 524 Q HA -0.093 4.247 4.340 -0.000 0.000 0.200 524 Q C 2.296 178.254 176.000 -0.071 0.000 0.975 524 Q CA 1.285 57.070 55.803 -0.030 0.000 0.836 524 Q CB -0.645 28.105 28.738 0.020 0.000 0.896 524 Q HN 0.127 nan 8.270 nan 0.000 0.428 525 L N 0.477 121.584 121.223 -0.193 0.000 2.083 525 L HA -0.049 4.290 4.340 -0.000 0.000 0.209 525 L C 2.517 179.335 176.870 -0.087 0.000 1.083 525 L CA 1.379 56.054 54.840 -0.274 0.000 0.752 525 L CB -0.861 40.659 42.059 -0.898 0.000 0.899 525 L HN 0.484 nan 8.230 nan 0.000 0.433 526 I N -0.872 119.666 120.570 -0.054 0.000 2.286 526 I HA -0.313 3.857 4.170 -0.000 0.000 0.248 526 I C 2.545 178.681 176.117 0.031 0.000 1.115 526 I CA 1.210 62.553 61.300 0.072 0.000 1.392 526 I CB -0.245 37.765 38.000 0.018 0.000 1.065 526 I HN 0.289 nan 8.210 nan 0.000 0.418 527 K N 1.467 121.866 120.400 -0.001 0.000 1.995 527 K HA -0.036 4.283 4.320 -0.000 0.000 0.207 527 K C 0.668 177.282 176.600 0.023 0.000 1.041 527 K CA 0.520 56.809 56.287 0.003 0.000 0.942 527 K CB 0.113 32.611 32.500 -0.003 0.000 0.731 527 K HN 0.024 nan 8.250 nan 0.000 0.439 528 K N 1.144 121.559 120.400 0.025 0.000 2.584 528 K HA -0.184 4.136 4.320 -0.000 0.000 0.277 528 K C 0.935 177.567 176.600 0.054 0.000 0.960 528 K CA 0.809 57.120 56.287 0.040 0.000 0.975 528 K CB 0.304 32.830 32.500 0.043 0.000 0.885 528 K HN 0.308 nan 8.250 nan 0.000 0.515 529 E N 0.849 121.080 120.200 0.052 0.000 2.340 529 E HA -0.027 4.323 4.350 -0.000 0.000 0.194 529 E C -0.438 176.200 176.600 0.064 0.000 0.996 529 E CA 0.679 57.112 56.400 0.054 0.000 0.869 529 E CB 0.423 30.147 29.700 0.041 0.000 0.835 529 E HN 0.425 nan 8.360 nan 0.000 0.493 530 K N 0.011 120.451 120.400 0.067 0.000 2.580 530 K HA 0.517 4.837 4.320 -0.000 0.000 0.258 530 K C -1.364 175.291 176.600 0.091 0.000 0.936 530 K CA -0.382 55.953 56.287 0.079 0.000 0.852 530 K CB 1.620 34.156 32.500 0.060 0.000 1.329 530 K HN -0.002 nan 8.250 nan 0.000 0.430 531 V N 1.452 121.439 119.914 0.121 0.000 3.130 531 V HA 0.923 5.043 4.120 -0.000 0.000 0.310 531 V C -0.911 175.314 176.094 0.219 0.000 1.158 531 V CA -0.823 61.564 62.300 0.145 0.000 1.029 531 V CB 1.946 33.832 31.823 0.105 0.000 1.057 531 V HN 1.336 nan 8.190 nan 0.000 0.436 532 Y N 2.366 122.693 120.300 0.044 0.000 2.689 532 Y HA 0.831 5.380 4.550 -0.000 0.000 0.333 532 Y C -2.418 173.504 175.900 0.038 0.000 1.208 532 Y CA -1.160 56.961 58.100 0.034 0.000 1.055 532 Y CB 1.879 40.352 38.460 0.020 0.000 1.304 532 Y HN 0.680 nan 8.280 nan 0.000 0.455 533 L N 3.002 123.837 121.223 -0.646 0.000 2.592 533 L HA 0.892 5.232 4.340 -0.000 0.000 0.258 533 L C -1.751 174.815 176.870 -0.507 0.000 0.926 533 L CA -0.201 54.449 54.840 -0.317 0.000 0.885 533 L CB 1.583 43.572 42.059 -0.117 0.000 1.380 533 L HN 0.999 nan 8.230 nan 0.000 0.415 534 A N 3.055 125.790 122.820 -0.141 0.000 2.386 534 A HA 0.840 5.160 4.320 -0.000 0.000 0.308 534 A C -2.081 175.545 177.584 0.071 0.000 1.128 534 A CA -0.528 51.487 52.037 -0.036 0.000 0.789 534 A CB 1.231 20.297 19.000 0.110 0.000 1.325 534 A HN 0.819 nan 8.150 nan 0.000 0.437 535 W N 1.136 122.398 121.300 -0.063 0.000 2.606 535 W HA 0.635 5.295 4.660 -0.000 0.000 0.332 535 W C -1.437 175.065 176.519 -0.027 0.000 1.052 535 W CA -0.264 57.056 57.345 -0.040 0.000 1.223 535 W CB 1.757 31.198 29.460 -0.032 0.000 1.383 535 W HN 0.548 nan 8.180 nan 0.000 0.524 536 V N 6.711 126.008 119.914 -1.028 0.000 2.888 536 V HA 0.447 4.567 4.120 -0.000 0.000 0.309 536 V C -1.924 173.198 176.094 -1.621 0.000 1.114 536 V CA -2.074 59.667 62.300 -0.932 0.000 0.940 536 V CB 1.959 33.492 31.823 -0.484 0.000 1.021 536 V HN 0.481 nan 8.190 nan 0.000 0.426 537 P HA 0.257 nan 4.420 nan 0.000 0.272 537 P C 0.031 177.136 177.300 -0.325 0.000 1.254 537 P CA 0.178 62.922 63.100 -0.593 0.000 0.795 537 P CB 1.221 32.895 31.700 -0.044 0.000 1.022 538 A N 0.344 123.118 122.820 -0.077 0.000 2.265 538 A HA 0.024 4.343 4.320 -0.000 0.000 0.226 538 A C 1.911 179.532 177.584 0.061 0.000 1.937 538 A CA 0.260 52.300 52.037 0.005 0.000 0.771 538 A CB -1.572 17.508 19.000 0.132 0.000 1.421 538 A HN 0.640 nan 8.150 nan 0.000 0.570 539 H N 0.474 119.543 119.070 -0.003 0.000 2.568 539 H HA -0.044 4.512 4.556 -0.000 0.000 0.285 539 H C 1.773 177.108 175.328 0.011 0.000 1.048 539 H CA 0.967 57.021 56.048 0.010 0.000 1.197 539 H CB -0.112 29.663 29.762 0.022 0.000 1.343 539 H HN 0.541 nan 8.280 nan 0.000 0.614 540 K N 0.866 121.324 120.400 0.096 0.000 2.404 540 K HA 0.166 4.486 4.320 -0.000 0.000 0.194 540 K C 1.266 177.883 176.600 0.028 0.000 1.023 540 K CA 0.492 56.816 56.287 0.062 0.000 1.094 540 K CB -0.428 32.106 32.500 0.055 0.000 0.841 540 K HN 0.440 nan 8.250 nan 0.000 0.523 541 G N 1.386 110.190 108.800 0.006 0.000 2.342 541 G HA2 -0.050 3.910 3.960 -0.000 0.000 0.267 541 G HA3 -0.050 3.910 3.960 -0.000 0.000 0.267 541 G C -0.314 174.590 174.900 0.007 0.000 0.922 541 G CA 0.348 45.445 45.100 -0.005 0.000 1.342 541 G HN 0.818 nan 8.290 nan 0.000 0.430 542 I N 0.113 120.685 120.570 0.003 0.000 2.499 542 I HA 0.877 5.046 4.170 -0.000 0.000 0.288 542 I C 0.887 177.037 176.117 0.055 0.000 1.048 542 I CA -0.551 60.758 61.300 0.015 0.000 1.062 542 I CB 1.223 39.215 38.000 -0.013 0.000 1.238 542 I HN 1.766 nan 8.210 nan 0.000 0.426 543 G N 3.540 112.395 108.800 0.093 0.000 2.698 543 G HA2 -0.010 3.950 3.960 -0.000 0.000 0.233 543 G HA3 -0.010 3.950 3.960 -0.000 0.000 0.233 543 G C 0.664 175.711 174.900 0.244 0.000 1.352 543 G CA -0.077 45.146 45.100 0.206 0.000 0.879 543 G HN 1.346 nan 8.290 nan 0.000 0.567 544 G N -0.314 108.691 108.800 0.341 0.000 2.586 544 G HA2 -0.091 3.868 3.960 -0.000 0.000 0.215 544 G HA3 -0.091 3.868 3.960 -0.000 0.000 0.215 544 G C 1.377 176.373 174.900 0.161 0.000 1.128 544 G CA 1.517 46.590 45.100 -0.044 0.000 0.774 544 G HN 1.045 nan 8.290 nan 0.000 0.543 545 N N 0.857 119.793 118.700 0.393 0.000 2.064 545 N HA -0.254 4.486 4.740 -0.000 0.000 0.200 545 N C 2.401 177.957 175.510 0.077 0.000 1.028 545 N CA 2.881 56.053 53.050 0.204 0.000 0.880 545 N CB -0.356 38.169 38.487 0.064 0.000 1.062 545 N HN 0.403 nan 8.380 nan 0.000 0.454 546 E N -0.911 119.312 120.200 0.038 0.000 2.208 546 E HA -0.317 4.033 4.350 -0.000 0.000 0.202 546 E C 2.096 178.691 176.600 -0.009 0.000 1.014 546 E CA 2.455 58.852 56.400 -0.004 0.000 0.819 546 E CB -1.859 27.837 29.700 -0.007 0.000 0.735 546 E HN 0.820 nan 8.360 nan 0.000 0.469 547 Q N -0.219 119.581 119.800 -0.001 0.000 2.137 547 Q HA 0.147 4.487 4.340 -0.000 0.000 0.198 547 Q C 2.719 178.718 176.000 -0.002 0.000 0.960 547 Q CA 1.528 57.322 55.803 -0.016 0.000 0.847 547 Q CB -0.723 27.988 28.738 -0.045 0.000 0.915 547 Q HN 0.747 nan 8.270 nan 0.000 0.448 548 V N 1.759 121.691 119.914 0.030 0.000 2.515 548 V HA -0.242 3.878 4.120 -0.000 0.000 0.250 548 V C 1.909 178.018 176.094 0.026 0.000 1.058 548 V CA 1.781 64.110 62.300 0.048 0.000 1.064 548 V CB -0.687 31.200 31.823 0.107 0.000 0.675 548 V HN 0.626 nan 8.190 nan 0.000 0.461 549 D N 1.425 121.828 120.400 0.005 0.000 2.077 549 D HA -0.192 4.448 4.640 -0.000 0.000 0.193 549 D C 2.433 178.723 176.300 -0.016 0.000 0.989 549 D CA 2.299 56.288 54.000 -0.019 0.000 0.831 549 D CB -0.155 40.606 40.800 -0.065 0.000 0.979 549 D HN 0.531 nan 8.370 nan 0.000 0.449 550 K N 1.121 121.508 120.400 -0.021 0.000 2.152 550 K HA -0.135 4.185 4.320 -0.000 0.000 0.206 550 K C 2.099 178.694 176.600 -0.008 0.000 1.048 550 K CA 1.002 57.279 56.287 -0.017 0.000 0.933 550 K CB -1.192 31.297 32.500 -0.020 0.000 0.721 550 K HN 0.065 nan 8.250 nan 0.000 0.447 551 L N 0.347 121.568 121.223 -0.003 0.000 2.083 551 L HA -0.057 4.283 4.340 -0.000 0.000 0.209 551 L C 2.291 179.166 176.870 0.009 0.000 1.083 551 L CA 1.457 56.298 54.840 0.002 0.000 0.752 551 L CB 0.039 42.102 42.059 0.007 0.000 0.899 551 L HN 0.201 nan 8.230 nan 0.000 0.433 552 V N -1.332 118.589 119.914 0.013 0.000 3.235 552 V HA 0.129 4.249 4.120 -0.000 0.000 0.259 552 V C 0.499 176.600 176.094 0.011 0.000 1.133 552 V CA 0.731 63.041 62.300 0.017 0.000 1.128 552 V CB -0.797 31.040 31.823 0.023 0.000 0.757 552 V HN 0.635 nan 8.190 nan 0.000 0.469 553 S N -0.337 115.366 115.700 0.005 0.000 2.584 553 S HA 0.649 5.119 4.470 -0.000 0.000 0.280 553 S C -0.611 173.988 174.600 -0.002 0.000 1.162 553 S CA -0.014 58.188 58.200 0.004 0.000 0.951 553 S CB 1.432 64.636 63.200 0.007 0.000 1.108 553 S HN 0.381 nan 8.310 nan 0.000 0.464 554 A N 1.970 124.790 122.820 0.000 0.000 3.091 554 A HA 0.673 4.992 4.320 -0.000 0.000 0.264 554 A C 1.599 179.184 177.584 0.000 0.000 1.673 554 A CA 0.067 52.102 52.037 -0.002 0.000 1.362 554 A CB -1.715 17.284 19.000 -0.001 0.000 1.137 554 A HN 2.590 nan 8.150 nan 0.000 0.617 555 G N -0.208 108.592 108.800 -0.001 0.000 2.234 555 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.260 555 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.260 555 G C 0.208 175.114 174.900 0.010 0.000 0.987 555 G CA 0.474 45.577 45.100 0.004 0.000 0.625 555 G HN 1.607 nan 8.290 nan 0.000 0.532 556 I N -2.242 118.333 120.570 0.008 0.000 2.614 556 I HA 0.609 4.779 4.170 -0.000 0.000 0.300 556 I C -0.384 175.738 176.117 0.009 0.000 1.825 556 I CA -0.141 61.166 61.300 0.011 0.000 0.951 556 I CB 0.612 38.619 38.000 0.012 0.000 1.487 556 I HN 0.690 nan 8.210 nan 0.000 0.581 557 R N 3.765 124.272 120.500 0.011 0.000 2.700 557 R HA 0.932 5.272 4.340 -0.000 0.000 0.253 557 R C -0.224 176.081 176.300 0.009 0.000 1.091 557 R CA 0.240 56.346 56.100 0.010 0.000 1.104 557 R CB 0.300 30.607 30.300 0.012 0.000 1.202 557 R HN 0.968 nan 8.270 nan 0.000 0.532 558 K N 0.000 120.405 120.400 0.008 0.000 2.780 558 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 558 K CA 0.000 56.291 56.287 0.007 0.000 0.838 558 K CB 0.000 32.503 32.500 0.005 0.000 1.064 558 K HN 0.000 nan 8.250 nan 0.000 0.543