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 1tv6_1_A DATA FIRST_RESID 1 DATA SEQUENCE PISPIETVPV KLKPGMDGPK VKQWPLTEEK IKALVEICTE MEKEGKISKI DATA SEQUENCE GPENPYNTPV FAIKKKDSTK WRKLVDFREL NKRTQDFWEV QLGIPHPAGL DATA SEQUENCE KKKKSVTVLD VGDAYFSVPL DEDFRKYTAF TIPSINNETP GIRYQYNVLP DATA SEQUENCE QGWKGSPAIF QSSMTKILEP FKKQNPDIVI YQYMDDLYVG SDLEIGQHRT DATA SEQUENCE KIEELRQHLL RWGLTTPDXX XXKEPPFLWM GYELHPDKWT VQPIVLPEKD DATA SEQUENCE SWTVNDIQKL VGKLNWASQI YPGIKVRQLC KLLRGTKALT EVIPLTEEAE DATA SEQUENCE LELAENREIL KEPVHGVYYD PSKDLIAEIQ KQGQGQWTYQ IYQEPFKNLK DATA SEQUENCE TGKYARMRGA HTNDVKQLTE AVQKITTESI VIWGKTPKFK LPIQKETWET DATA SEQUENCE WWTEYWQATW IPEWEFVNTP PLVKLWYQLE KEPIVGAETF YVDGAANRET DATA SEQUENCE KLGKAGYVTN KGRQKVVPLT NTTNQKTELQ AIYLALQDSG LEVNIVTDSQ DATA SEQUENCE YALGIIQAQP DKSESELVNQ IIEQLIKKEK VYLAWVPAH 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 0.000 177.320 177.300 0.034 0.000 1.155 1 P CA 0.000 63.119 63.100 0.032 0.000 0.800 1 P CB 0.000 31.720 31.700 0.034 0.000 0.726 2 I N 1.334 121.915 120.570 0.018 0.000 2.662 2 I HA 0.140 4.310 4.170 0.000 0.000 0.285 2 I C 0.643 176.795 176.117 0.058 0.000 1.161 2 I CA 0.425 61.737 61.300 0.020 0.000 1.415 2 I CB 0.736 38.732 38.000 -0.007 0.000 1.385 2 I HN 0.553 nan 8.210 nan 0.000 0.552 3 S N 8.395 124.151 115.700 0.092 0.000 2.569 3 S HA 0.222 4.692 4.470 0.000 0.000 0.274 3 S C -1.257 173.434 174.600 0.152 0.000 1.353 3 S CA -0.884 57.409 58.200 0.155 0.000 1.023 3 S CB 0.721 64.040 63.200 0.199 0.000 0.876 3 S HN 0.705 nan 8.310 nan 0.000 0.540 4 P HA 0.182 nan 4.420 nan 0.000 0.257 4 P C 0.617 178.051 177.300 0.224 0.000 1.281 4 P CA -0.120 63.083 63.100 0.170 0.000 0.826 4 P CB -0.159 31.615 31.700 0.123 0.000 1.237 5 I N 0.584 121.308 120.570 0.257 0.000 2.993 5 I HA -0.024 4.146 4.170 0.000 0.000 0.286 5 I C 0.694 176.875 176.117 0.108 0.000 1.215 5 I CA -0.119 61.287 61.300 0.178 0.000 1.393 5 I CB 0.630 38.667 38.000 0.061 0.000 1.371 5 I HN -0.098 nan 8.210 nan 0.000 0.602 6 E N 3.237 123.483 120.200 0.077 0.000 2.404 6 E HA 0.102 4.452 4.350 0.000 0.000 0.261 6 E C -0.356 176.274 176.600 0.050 0.000 1.074 6 E CA 0.015 56.451 56.400 0.060 0.000 0.917 6 E CB 0.656 30.383 29.700 0.045 0.000 0.965 6 E HN 0.655 nan 8.360 nan 0.000 0.433 7 T N -2.110 112.476 114.554 0.053 0.000 2.943 7 T HA 0.437 4.787 4.350 0.000 0.000 0.284 7 T C -0.125 174.610 174.700 0.057 0.000 1.015 7 T CA -0.969 61.164 62.100 0.056 0.000 1.042 7 T CB 1.204 70.108 68.868 0.060 0.000 1.055 7 T HN 0.104 nan 8.240 nan 0.000 0.500 8 V N 4.098 124.053 119.914 0.068 0.000 2.383 8 V HA 0.380 4.500 4.120 0.000 0.000 0.275 8 V C -1.873 174.280 176.094 0.098 0.000 1.036 8 V CA -1.957 60.392 62.300 0.081 0.000 0.889 8 V CB 0.909 32.791 31.823 0.099 0.000 0.985 8 V HN 0.851 nan 8.190 nan 0.000 0.459 9 P HA 0.138 nan 4.420 nan 0.000 0.266 9 P C -0.658 176.686 177.300 0.073 0.000 1.215 9 P CA 0.307 63.453 63.100 0.077 0.000 0.763 9 P CB 1.071 32.806 31.700 0.057 0.000 0.806 10 V N 4.936 124.876 119.914 0.045 0.000 2.881 10 V HA 0.516 4.636 4.120 0.000 0.000 0.316 10 V C 0.465 176.501 176.094 -0.097 0.000 1.070 10 V CA -0.540 61.718 62.300 -0.070 0.000 0.976 10 V CB 2.062 33.750 31.823 -0.224 0.000 1.038 10 V HN 0.505 nan 8.190 nan 0.000 0.446 11 K N 2.008 122.325 120.400 -0.138 0.000 2.512 11 K HA 0.677 4.997 4.320 0.000 0.000 0.263 11 K C -1.654 174.963 176.600 0.028 0.000 0.966 11 K CA -0.816 55.483 56.287 0.020 0.000 0.851 11 K CB 2.545 35.041 32.500 -0.007 0.000 1.395 11 K HN 0.416 nan 8.250 nan 0.000 0.440 12 L N 2.015 123.291 121.223 0.088 0.000 2.343 12 L HA 0.387 4.727 4.340 0.000 0.000 0.275 12 L C 0.038 176.897 176.870 -0.019 0.000 1.056 12 L CA -0.838 54.025 54.840 0.038 0.000 0.804 12 L CB 0.906 42.912 42.059 -0.090 0.000 1.203 12 L HN 0.431 nan 8.230 nan 0.000 0.440 13 K N 2.518 122.903 120.400 -0.026 0.000 2.586 13 K HA -0.130 4.190 4.320 0.000 0.000 0.280 13 K C -1.567 175.021 176.600 -0.020 0.000 0.972 13 K CA -0.663 55.604 56.287 -0.034 0.000 1.040 13 K CB -0.137 32.348 32.500 -0.024 0.000 0.870 13 K HN 0.339 nan 8.250 nan 0.000 0.497 14 P HA -0.302 nan 4.420 nan 0.000 0.229 14 P C 0.734 178.037 177.300 0.005 0.000 1.073 14 P CA 2.122 65.217 63.100 -0.008 0.000 1.022 14 P CB 0.062 31.756 31.700 -0.010 0.000 0.752 15 G N -3.065 105.740 108.800 0.008 0.000 4.044 15 G HA2 0.446 4.406 3.960 0.000 0.000 0.297 15 G HA3 0.446 4.406 3.960 0.000 0.000 0.297 15 G C 0.194 175.109 174.900 0.026 0.000 1.101 15 G CA -0.173 44.939 45.100 0.019 0.000 0.884 15 G HN 0.127 nan 8.290 nan 0.000 0.538 16 M N -0.533 119.078 119.600 0.018 0.000 2.734 16 M HA 0.615 5.095 4.480 0.000 0.000 0.264 16 M C -0.733 175.583 176.300 0.028 0.000 1.080 16 M CA -0.688 54.627 55.300 0.025 0.000 0.981 16 M CB 1.533 34.142 32.600 0.014 0.000 1.514 16 M HN 0.025 nan 8.290 nan 0.000 0.569 17 D N -1.301 119.122 120.400 0.039 0.000 2.665 17 D HA 0.469 5.109 4.640 0.000 0.000 0.287 17 D C -0.935 175.399 176.300 0.056 0.000 1.266 17 D CA -0.187 53.858 54.000 0.075 0.000 0.830 17 D CB 1.477 42.421 40.800 0.240 0.000 1.356 17 D HN 0.693 nan 8.370 nan 0.000 0.437 18 G N 0.371 109.210 108.800 0.065 0.000 2.594 18 G HA2 0.409 4.369 3.960 0.000 0.000 0.243 18 G HA3 0.409 4.369 3.960 0.000 0.000 0.243 18 G C -2.155 172.977 174.900 0.388 0.000 1.229 18 G CA -0.884 44.228 45.100 0.021 0.000 0.843 18 G HN 0.420 nan 8.290 nan 0.000 0.578 19 P HA 0.161 nan 4.420 nan 0.000 0.266 19 P C -0.300 177.204 177.300 0.340 0.000 1.215 19 P CA 0.075 63.350 63.100 0.292 0.000 0.763 19 P CB 1.261 33.110 31.700 0.247 0.000 0.806 20 K N 1.480 122.028 120.400 0.246 0.000 2.358 20 K HA 0.132 4.452 4.320 0.000 0.000 0.197 20 K C 0.209 176.894 176.600 0.142 0.000 1.025 20 K CA -0.192 56.198 56.287 0.170 0.000 1.104 20 K CB 0.332 32.893 32.500 0.102 0.000 0.855 20 K HN 0.242 nan 8.250 nan 0.000 0.531 21 V N 3.614 123.624 119.914 0.160 0.000 2.717 21 V HA -0.171 3.949 4.120 0.000 0.000 0.302 21 V C 0.638 176.825 176.094 0.155 0.000 1.097 21 V CA 0.717 63.112 62.300 0.157 0.000 1.262 21 V CB -0.324 31.602 31.823 0.172 0.000 0.846 21 V HN 0.165 nan 8.190 nan 0.000 0.485 22 K N 3.656 124.137 120.400 0.136 0.000 2.270 22 K HA 0.237 4.557 4.320 0.000 0.000 0.276 22 K C 0.096 176.787 176.600 0.151 0.000 1.023 22 K CA -0.451 55.901 56.287 0.108 0.000 0.955 22 K CB 0.874 33.400 32.500 0.044 0.000 0.975 22 K HN 0.744 nan 8.250 nan 0.000 0.471 23 Q N 1.634 121.503 119.800 0.115 0.000 2.289 23 Q HA -0.004 4.336 4.340 0.000 0.000 0.273 23 Q C -1.201 174.859 176.000 0.100 0.000 1.029 23 Q CA 0.303 56.186 55.803 0.133 0.000 0.896 23 Q CB 0.354 29.143 28.738 0.085 0.000 1.182 23 Q HN 0.327 nan 8.270 nan 0.000 0.385 24 W N 7.669 128.939 121.300 -0.049 0.000 2.481 24 W HA 0.292 4.952 4.660 0.000 0.000 0.320 24 W C -1.770 174.686 176.519 -0.105 0.000 1.209 24 W CA -1.781 55.516 57.345 -0.079 0.000 1.400 24 W CB 0.777 30.165 29.460 -0.121 0.000 1.361 24 W HN 0.573 nan 8.180 nan 0.000 0.456 25 P HA 0.177 nan 4.420 nan 0.000 0.271 25 P C -0.531 176.796 177.300 0.045 0.000 1.216 25 P CA 0.481 63.572 63.100 -0.016 0.000 0.771 25 P CB 1.597 33.251 31.700 -0.077 0.000 0.864 26 L N 0.664 121.903 121.223 0.028 0.000 2.459 26 L HA 0.335 4.675 4.340 0.000 0.000 0.238 26 L C 0.196 177.074 176.870 0.013 0.000 1.152 26 L CA -0.981 53.885 54.840 0.044 0.000 1.091 26 L CB 0.617 42.703 42.059 0.045 0.000 1.596 26 L HN 0.150 nan 8.230 nan 0.000 0.422 27 T N 0.838 115.407 114.554 0.024 0.000 2.777 27 T HA -0.132 4.218 4.350 0.000 0.000 0.273 27 T C 0.912 175.593 174.700 -0.032 0.000 1.016 27 T CA 0.718 62.826 62.100 0.013 0.000 1.156 27 T CB 0.173 69.073 68.868 0.052 0.000 1.019 27 T HN 0.610 nan 8.240 nan 0.000 0.503 28 E N 1.862 122.038 120.200 -0.040 0.000 2.481 28 E HA -0.091 4.259 4.350 0.000 0.000 0.195 28 E C 1.877 178.408 176.600 -0.114 0.000 1.047 28 E CA 0.374 56.732 56.400 -0.069 0.000 0.867 28 E CB 0.152 29.821 29.700 -0.052 0.000 0.858 28 E HN 0.834 nan 8.360 nan 0.000 0.513 29 E N 0.740 120.874 120.200 -0.109 0.000 2.152 29 E HA -0.167 4.183 4.350 0.000 0.000 0.192 29 E C 1.571 177.905 176.600 -0.443 0.000 0.983 29 E CA 0.789 57.085 56.400 -0.174 0.000 0.818 29 E CB 0.257 29.933 29.700 -0.039 0.000 0.758 29 E HN 0.159 nan 8.360 nan 0.000 0.467 30 K N 0.370 120.532 120.400 -0.398 0.000 2.021 30 K HA 0.011 4.331 4.320 0.000 0.000 0.205 30 K C 2.107 178.481 176.600 -0.378 0.000 1.047 30 K CA 1.026 56.966 56.287 -0.578 0.000 0.943 30 K CB -0.090 32.313 32.500 -0.161 0.000 0.725 30 K HN 0.156 nan 8.250 nan 0.000 0.439 31 I N 1.814 122.261 120.570 -0.206 0.000 2.908 31 I HA -0.266 3.904 4.170 0.000 0.000 0.271 31 I C 1.835 177.852 176.117 -0.165 0.000 1.275 31 I CA 0.854 62.070 61.300 -0.140 0.000 1.446 31 I CB -0.227 37.718 38.000 -0.093 0.000 1.092 31 I HN 0.139 nan 8.210 nan 0.000 0.482 32 K N 0.895 121.143 120.400 -0.254 0.000 2.044 32 K HA 0.050 4.370 4.320 0.000 0.000 0.204 32 K C 2.239 178.687 176.600 -0.253 0.000 1.049 32 K CA 1.377 57.520 56.287 -0.240 0.000 0.945 32 K CB -0.315 32.017 32.500 -0.281 0.000 0.724 32 K HN 0.276 nan 8.250 nan 0.000 0.440 33 A N 1.519 124.099 122.820 -0.400 0.000 1.930 33 A HA -0.013 4.307 4.320 0.000 0.000 0.215 33 A C 2.305 179.815 177.584 -0.124 0.000 1.176 33 A CA 0.748 52.611 52.037 -0.290 0.000 0.632 33 A CB -0.575 18.164 19.000 -0.435 0.000 0.819 33 A HN 0.135 nan 8.150 nan 0.000 0.445 34 L N -0.167 120.989 121.223 -0.113 0.000 2.043 34 L HA -0.213 4.127 4.340 0.000 0.000 0.212 34 L C 2.421 179.272 176.870 -0.033 0.000 1.075 34 L CA 1.457 56.279 54.840 -0.031 0.000 0.752 34 L CB -0.600 41.450 42.059 -0.017 0.000 0.891 34 L HN 0.297 nan 8.230 nan 0.000 0.432 35 V N -1.115 118.773 119.914 -0.044 0.000 2.535 35 V HA -0.176 3.944 4.120 0.000 0.000 0.246 35 V C 2.281 178.364 176.094 -0.018 0.000 1.045 35 V CA 1.279 63.571 62.300 -0.012 0.000 1.058 35 V CB -0.361 31.450 31.823 -0.020 0.000 0.689 35 V HN 0.388 nan 8.190 nan 0.000 0.461 36 E N 0.260 120.436 120.200 -0.040 0.000 2.077 36 E HA -0.179 4.171 4.350 0.000 0.000 0.193 36 E C 2.164 178.757 176.600 -0.012 0.000 0.989 36 E CA 1.567 57.950 56.400 -0.028 0.000 0.800 36 E CB -0.067 29.607 29.700 -0.044 0.000 0.746 36 E HN 0.587 nan 8.360 nan 0.000 0.452 37 I N -0.131 120.432 120.570 -0.012 0.000 2.277 37 I HA -0.249 3.921 4.170 0.000 0.000 0.243 37 I C 2.474 178.570 176.117 -0.034 0.000 1.094 37 I CA 0.271 61.572 61.300 0.002 0.000 1.393 37 I CB -0.219 37.800 38.000 0.032 0.000 1.078 37 I HN 0.273 nan 8.210 nan 0.000 0.417 38 C N 0.754 119.998 119.300 -0.093 0.000 2.403 38 C HA -0.200 4.260 4.460 0.000 0.000 0.277 38 C C 3.037 177.918 174.990 -0.183 0.000 1.248 38 C CA 1.656 60.507 59.018 -0.279 0.000 1.762 38 C CB -1.146 26.282 27.740 -0.520 0.000 2.014 38 C HN 0.525 nan 8.230 nan 0.000 0.486 39 T N 0.174 114.700 114.554 -0.048 0.000 2.635 39 T HA -0.214 4.136 4.350 0.000 0.000 0.267 39 T C 1.707 176.411 174.700 0.005 0.000 1.040 39 T CA 1.987 64.094 62.100 0.012 0.000 1.156 39 T CB -0.309 68.571 68.868 0.020 0.000 0.863 39 T HN 0.527 nan 8.240 nan 0.000 0.430 40 E N 0.628 120.830 120.200 0.002 0.000 2.077 40 E HA 0.023 4.373 4.350 0.000 0.000 0.193 40 E C 2.103 178.715 176.600 0.020 0.000 0.989 40 E CA 1.126 57.536 56.400 0.016 0.000 0.800 40 E CB -0.284 29.430 29.700 0.023 0.000 0.746 40 E HN 0.462 nan 8.360 nan 0.000 0.452 41 M N -0.133 119.473 119.600 0.010 0.000 2.296 41 M HA -0.118 4.362 4.480 0.000 0.000 0.265 41 M C 2.139 178.430 176.300 -0.016 0.000 1.064 41 M CA 1.243 56.560 55.300 0.028 0.000 1.109 41 M CB -0.029 32.599 32.600 0.046 0.000 1.396 41 M HN 0.128 nan 8.290 nan 0.000 0.430 42 E N 0.725 120.906 120.200 -0.031 0.000 2.107 42 E HA -0.175 4.175 4.350 0.000 0.000 0.191 42 E C 1.686 178.304 176.600 0.029 0.000 0.982 42 E CA 1.029 57.438 56.400 0.015 0.000 0.809 42 E CB 0.221 29.975 29.700 0.090 0.000 0.756 42 E HN 0.452 nan 8.360 nan 0.000 0.459 43 K N 0.573 120.989 120.400 0.026 0.000 2.001 43 K HA -0.121 4.199 4.320 0.000 0.000 0.208 43 K C 2.001 178.614 176.600 0.021 0.000 1.048 43 K CA 1.586 57.888 56.287 0.025 0.000 0.932 43 K CB -0.068 32.446 32.500 0.024 0.000 0.715 43 K HN 0.130 nan 8.250 nan 0.000 0.437 44 E N -0.322 119.892 120.200 0.023 0.000 2.463 44 E HA -0.084 4.266 4.350 0.000 0.000 0.201 44 E C 0.942 177.547 176.600 0.009 0.000 1.045 44 E CA 0.499 56.913 56.400 0.023 0.000 0.872 44 E CB -0.001 29.723 29.700 0.041 0.000 0.797 44 E HN 0.560 nan 8.360 nan 0.000 0.538 45 G N 1.243 110.044 108.800 0.003 0.000 2.179 45 G HA2 -0.340 3.620 3.960 0.000 0.000 0.260 45 G HA3 -0.340 3.620 3.960 0.000 0.000 0.260 45 G C 1.007 175.881 174.900 -0.044 0.000 0.977 45 G CA 0.603 45.698 45.100 -0.008 0.000 0.641 45 G HN 0.134 nan 8.290 nan 0.000 0.533 46 K N 0.097 120.452 120.400 -0.075 0.000 2.211 46 K HA 0.032 4.352 4.320 0.000 0.000 0.204 46 K C 1.620 178.117 176.600 -0.171 0.000 1.047 46 K CA 1.777 57.947 56.287 -0.194 0.000 0.935 46 K CB -0.215 32.141 32.500 -0.240 0.000 0.728 46 K HN 0.909 nan 8.250 nan 0.000 0.452 47 I N -3.986 116.520 120.570 -0.107 0.000 3.174 47 I HA 0.437 4.607 4.170 0.000 0.000 0.313 47 I C -0.895 175.254 176.117 0.053 0.000 1.155 47 I CA -1.065 60.189 61.300 -0.076 0.000 0.977 47 I CB 2.540 40.432 38.000 -0.179 0.000 1.248 47 I HN -0.349 nan 8.210 nan 0.000 0.453 48 S N 0.876 116.672 115.700 0.160 0.000 2.533 48 S HA 0.401 4.871 4.470 0.000 0.000 0.271 48 S C -1.051 173.682 174.600 0.222 0.000 1.143 48 S CA -0.937 57.370 58.200 0.179 0.000 0.891 48 S CB 2.068 65.321 63.200 0.089 0.000 1.105 48 S HN 0.514 nan 8.310 nan 0.000 0.468 49 K N 1.667 122.137 120.400 0.115 0.000 2.326 49 K HA 0.459 4.779 4.320 0.000 0.000 0.275 49 K C -0.434 176.137 176.600 -0.049 0.000 1.018 49 K CA -0.254 55.971 56.287 -0.104 0.000 0.962 49 K CB 0.183 32.536 32.500 -0.244 0.000 0.953 49 K HN 0.469 nan 8.250 nan 0.000 0.475 50 I N -1.587 118.943 120.570 -0.067 0.000 2.785 50 I HA 0.370 4.540 4.170 0.000 0.000 0.302 50 I C 0.372 176.461 176.117 -0.047 0.000 1.069 50 I CA -1.073 60.209 61.300 -0.030 0.000 1.045 50 I CB 1.124 39.131 38.000 0.012 0.000 1.236 50 I HN 0.559 nan 8.210 nan 0.000 0.429 51 G N 3.444 112.224 108.800 -0.032 0.000 2.163 51 G HA2 0.165 4.125 3.960 0.000 0.000 0.239 51 G HA3 0.165 4.125 3.960 0.000 0.000 0.239 51 G C -1.529 173.348 174.900 -0.039 0.000 1.148 51 G CA -0.301 44.778 45.100 -0.034 0.000 0.880 51 G HN 0.701 nan 8.290 nan 0.000 0.466 52 P HA -0.180 nan 4.420 nan 0.000 0.219 52 P C 1.058 178.334 177.300 -0.040 0.000 1.158 52 P CA 1.275 64.346 63.100 -0.049 0.000 0.895 52 P CB 0.296 31.968 31.700 -0.047 0.000 0.792 53 E N -0.055 120.125 120.200 -0.035 0.000 2.261 53 E HA 0.053 4.403 4.350 0.000 0.000 0.308 53 E C -0.397 176.180 176.600 -0.038 0.000 1.400 53 E CA -0.280 56.097 56.400 -0.038 0.000 1.542 53 E CB -1.995 27.683 29.700 -0.037 0.000 1.369 53 E HN 0.033 nan 8.360 nan 0.000 0.493 54 N N 2.024 120.708 118.700 -0.027 0.000 2.527 54 N HA 0.176 4.916 4.740 0.000 0.000 0.236 54 N C -2.151 173.312 175.510 -0.079 0.000 0.999 54 N CA -1.927 51.123 53.050 0.002 0.000 0.935 54 N CB 1.386 39.910 38.487 0.062 0.000 1.132 54 N HN -0.014 nan 8.380 nan 0.000 0.511 55 P HA -0.019 nan 4.420 nan 0.000 0.249 55 P C -0.975 175.878 177.300 -0.745 0.000 1.227 55 P CA 1.069 63.833 63.100 -0.560 0.000 0.753 55 P CB -0.308 30.970 31.700 -0.703 0.000 0.966 56 Y N -1.570 118.760 120.300 0.051 0.000 2.602 56 Y HA 0.614 5.164 4.550 0.000 0.000 0.342 56 Y C 0.418 176.383 175.900 0.108 0.000 1.029 56 Y CA -1.215 56.939 58.100 0.091 0.000 1.080 56 Y CB 1.526 40.052 38.460 0.110 0.000 1.284 56 Y HN -0.353 nan 8.280 nan 0.000 0.485 57 N N -1.144 117.740 118.700 0.307 0.000 2.710 57 N HA 0.520 5.260 4.740 0.000 0.000 0.257 57 N C -2.106 173.542 175.510 0.229 0.000 1.140 57 N CA -0.430 52.769 53.050 0.248 0.000 0.953 57 N CB 1.774 40.369 38.487 0.179 0.000 1.664 57 N HN 0.601 nan 8.380 nan 0.000 0.497 58 T N 2.772 117.450 114.554 0.207 0.000 2.879 58 T HA 0.497 4.847 4.350 0.000 0.000 0.290 58 T C -2.795 171.989 174.700 0.139 0.000 0.993 58 T CA -0.924 61.237 62.100 0.102 0.000 0.975 58 T CB 1.892 70.683 68.868 -0.128 0.000 0.981 58 T HN 0.284 nan 8.240 nan 0.000 0.439 59 P HA 0.165 nan 4.420 nan 0.000 0.265 59 P C -0.810 176.716 177.300 0.376 0.000 1.187 59 P CA -0.201 63.095 63.100 0.326 0.000 0.766 59 P CB 0.449 32.445 31.700 0.493 0.000 0.820 60 V N 3.945 124.111 119.914 0.420 0.000 2.769 60 V HA 0.541 4.661 4.120 0.000 0.000 0.312 60 V C -0.038 176.389 176.094 0.556 0.000 1.058 60 V CA -0.206 62.365 62.300 0.452 0.000 0.952 60 V CB 1.141 33.189 31.823 0.376 0.000 1.019 60 V HN 0.385 nan 8.190 nan 0.000 0.445 61 F N 0.326 120.352 119.950 0.127 0.000 2.876 61 F HA 0.932 5.459 4.527 0.000 0.000 0.358 61 F C 0.177 176.077 175.800 0.167 0.000 1.209 61 F CA -0.980 57.096 58.000 0.127 0.000 1.051 61 F CB 1.614 40.668 39.000 0.090 0.000 1.474 61 F HN 0.612 nan 8.300 nan 0.000 0.521 62 A N 1.192 124.261 122.820 0.416 0.000 2.491 62 A HA 0.743 5.063 4.320 0.000 0.000 0.293 62 A C -2.097 175.758 177.584 0.452 0.000 1.047 62 A CA -0.427 51.891 52.037 0.468 0.000 0.735 62 A CB 0.906 20.202 19.000 0.493 0.000 1.281 62 A HN 0.422 nan 8.150 nan 0.000 0.398 63 I N 1.776 122.522 120.570 0.293 0.000 2.498 63 I HA 0.459 4.629 4.170 0.000 0.000 0.290 63 I C -0.040 175.928 176.117 -0.248 0.000 1.032 63 I CA -0.762 60.532 61.300 -0.009 0.000 1.073 63 I CB 1.795 39.801 38.000 0.010 0.000 1.251 63 I HN 0.692 nan 8.210 nan 0.000 0.426 64 K N 5.460 125.447 120.400 -0.690 0.000 2.172 64 K HA 0.302 4.622 4.320 0.000 0.000 0.276 64 K C -0.336 176.033 176.600 -0.386 0.000 1.013 64 K CA -0.554 55.226 56.287 -0.845 0.000 0.913 64 K CB 0.995 32.706 32.500 -1.316 0.000 1.055 64 K HN 0.505 nan 8.250 nan 0.000 0.461 65 K N 4.874 125.126 120.400 -0.246 0.000 2.171 65 K HA 0.057 4.377 4.320 0.000 0.000 0.274 65 K C 0.872 177.387 176.600 -0.143 0.000 1.110 65 K CA -0.104 56.100 56.287 -0.138 0.000 0.952 65 K CB 0.579 33.037 32.500 -0.071 0.000 1.309 65 K HN 0.489 nan 8.250 nan 0.000 0.414 66 K N 1.274 121.583 120.400 -0.152 0.000 2.066 66 K HA -0.312 4.008 4.320 0.000 0.000 0.221 66 K C 1.647 178.200 176.600 -0.079 0.000 1.056 66 K CA 2.195 58.408 56.287 -0.124 0.000 0.950 66 K CB -0.094 32.348 32.500 -0.097 0.000 0.726 66 K HN 0.595 nan 8.250 nan 0.000 0.456 67 D N -0.040 120.325 120.400 -0.058 0.000 2.263 67 D HA -0.118 4.522 4.640 0.000 0.000 0.208 67 D C 1.833 178.119 176.300 -0.024 0.000 0.971 67 D CA 1.199 55.178 54.000 -0.035 0.000 0.867 67 D CB 0.197 40.981 40.800 -0.027 0.000 0.929 67 D HN 0.134 nan 8.370 nan 0.000 0.492 68 S N -1.418 114.266 115.700 -0.027 0.000 2.502 68 S HA -0.006 4.464 4.470 0.000 0.000 0.228 68 S C 1.291 175.895 174.600 0.008 0.000 1.061 68 S CA 2.162 60.358 58.200 -0.007 0.000 0.935 68 S CB -0.006 63.193 63.200 -0.002 0.000 0.809 68 S HN 0.538 nan 8.310 nan 0.000 0.510 69 T N -1.501 113.053 114.554 -0.000 0.000 6.037 69 T HA -0.221 4.129 4.350 0.000 0.000 0.275 69 T C 0.030 174.797 174.700 0.111 0.000 2.190 69 T CA 0.936 63.062 62.100 0.044 0.000 3.731 69 T CB -2.081 66.825 68.868 0.064 0.000 0.750 69 T HN 0.568 nan 8.240 nan 0.000 0.784 70 K N 1.510 121.962 120.400 0.086 0.000 2.310 70 K HA 0.432 4.752 4.320 0.000 0.000 0.290 70 K C -0.194 176.508 176.600 0.169 0.000 1.077 70 K CA -0.834 55.538 56.287 0.143 0.000 0.922 70 K CB 0.133 32.684 32.500 0.086 0.000 1.057 70 K HN 0.339 nan 8.250 nan 0.000 0.479 71 W N 2.930 124.239 121.300 0.014 0.000 2.089 71 W HA 0.136 4.796 4.660 0.000 0.000 0.355 71 W C 0.867 177.397 176.519 0.018 0.000 1.305 71 W CA -0.082 57.275 57.345 0.019 0.000 1.281 71 W CB 0.386 29.861 29.460 0.026 0.000 1.183 71 W HN 0.349 nan 8.180 nan 0.000 0.604 72 R N 2.963 123.613 120.500 0.249 0.000 2.561 72 R HA 0.195 4.535 4.340 0.000 0.000 0.297 72 R C -0.489 175.926 176.300 0.191 0.000 0.969 72 R CA -0.886 55.306 56.100 0.152 0.000 0.879 72 R CB 1.626 31.965 30.300 0.065 0.000 1.178 72 R HN 0.447 nan 8.270 nan 0.000 0.445 73 K N 3.888 124.385 120.400 0.163 0.000 2.237 73 K HA 0.238 4.558 4.320 0.000 0.000 0.270 73 K C -1.133 175.569 176.600 0.170 0.000 1.015 73 K CA -0.378 56.025 56.287 0.192 0.000 0.949 73 K CB 0.704 33.315 32.500 0.186 0.000 0.976 73 K HN 0.408 nan 8.250 nan 0.000 0.472 74 L N 3.670 125.013 121.223 0.200 0.000 2.436 74 L HA 0.345 4.685 4.340 0.000 0.000 0.268 74 L C -1.505 175.441 176.870 0.127 0.000 0.974 74 L CA -0.641 54.281 54.840 0.137 0.000 0.826 74 L CB 2.230 44.345 42.059 0.093 0.000 1.291 74 L HN 0.314 nan 8.230 nan 0.000 0.406 75 V N 2.592 122.534 119.914 0.048 0.000 2.376 75 V HA 0.316 4.436 4.120 0.000 0.000 0.287 75 V C -0.667 175.298 176.094 -0.215 0.000 1.015 75 V CA -0.729 61.504 62.300 -0.112 0.000 0.834 75 V CB 1.487 33.137 31.823 -0.290 0.000 1.001 75 V HN 0.715 nan 8.190 nan 0.000 0.428 76 D N 3.391 123.631 120.400 -0.266 0.000 2.455 76 D HA 0.227 4.867 4.640 0.000 0.000 0.234 76 D C 0.551 176.774 176.300 -0.128 0.000 1.224 76 D CA -0.028 53.842 54.000 -0.216 0.000 0.999 76 D CB 0.220 40.802 40.800 -0.363 0.000 1.072 76 D HN 0.402 nan 8.370 nan 0.000 0.514 77 F N 2.259 122.222 119.950 0.021 0.000 2.748 77 F HA 0.031 4.558 4.527 0.000 0.000 0.299 77 F C 2.195 178.047 175.800 0.087 0.000 1.154 77 F CA 0.197 58.244 58.000 0.079 0.000 1.446 77 F CB -0.157 38.914 39.000 0.119 0.000 1.112 77 F HN 0.444 nan 8.300 nan 0.000 0.584 78 R N -0.057 120.559 120.500 0.194 0.000 2.228 78 R HA -0.279 4.061 4.340 0.000 0.000 0.259 78 R C 1.685 178.066 176.300 0.135 0.000 1.183 78 R CA 2.023 58.197 56.100 0.124 0.000 1.002 78 R CB -0.782 29.549 30.300 0.051 0.000 0.879 78 R HN 0.188 nan 8.270 nan 0.000 0.467 79 E N 0.631 120.926 120.200 0.158 0.000 2.170 79 E HA -0.043 4.307 4.350 0.000 0.000 0.191 79 E C 1.653 178.367 176.600 0.189 0.000 0.981 79 E CA 0.440 56.931 56.400 0.152 0.000 0.830 79 E CB -0.014 29.774 29.700 0.146 0.000 0.775 79 E HN 0.321 nan 8.360 nan 0.000 0.470 80 L N 0.732 122.123 121.223 0.279 0.000 2.068 80 L HA -0.020 4.320 4.340 0.000 0.000 0.204 80 L C 1.357 178.400 176.870 0.289 0.000 1.076 80 L CA 1.597 56.629 54.840 0.321 0.000 0.753 80 L CB -0.848 41.508 42.059 0.496 0.000 0.910 80 L HN 0.058 nan 8.230 nan 0.000 0.439 81 N N 0.327 119.184 118.700 0.262 0.000 2.192 81 N HA -0.222 4.518 4.740 0.000 0.000 0.188 81 N C 1.664 177.222 175.510 0.080 0.000 1.013 81 N CA 1.410 54.534 53.050 0.123 0.000 0.863 81 N CB -0.264 38.262 38.487 0.065 0.000 0.990 81 N HN 0.460 nan 8.380 nan 0.000 0.430 82 K N 0.227 120.684 120.400 0.094 0.000 2.288 82 K HA 0.068 4.388 4.320 0.000 0.000 0.201 82 K C 1.545 178.182 176.600 0.061 0.000 1.048 82 K CA 0.661 56.985 56.287 0.061 0.000 0.956 82 K CB 0.132 32.669 32.500 0.063 0.000 0.746 82 K HN 0.214 nan 8.250 nan 0.000 0.461 83 R N -0.078 120.479 120.500 0.094 0.000 2.290 83 R HA 0.087 4.427 4.340 0.000 0.000 0.197 83 R C 0.207 176.561 176.300 0.091 0.000 0.913 83 R CA 0.210 56.354 56.100 0.073 0.000 1.040 83 R CB 0.541 30.879 30.300 0.064 0.000 0.992 83 R HN -0.086 nan 8.270 nan 0.000 0.500 84 T N 2.773 117.418 114.554 0.152 0.000 2.817 84 T HA 0.058 4.408 4.350 0.000 0.000 0.293 84 T C 0.180 174.870 174.700 -0.017 0.000 0.964 84 T CA -0.478 61.732 62.100 0.184 0.000 1.085 84 T CB 1.262 70.322 68.868 0.320 0.000 0.921 84 T HN 0.242 nan 8.240 nan 0.000 0.502 85 Q N 3.187 122.911 119.800 -0.127 0.000 2.730 85 Q HA 0.025 4.365 4.340 0.000 0.000 0.255 85 Q C -0.692 175.061 176.000 -0.412 0.000 1.155 85 Q CA 0.021 55.658 55.803 -0.276 0.000 1.035 85 Q CB 0.424 28.929 28.738 -0.388 0.000 1.335 85 Q HN 0.465 nan 8.270 nan 0.000 0.556 86 D N 0.025 120.194 120.400 -0.384 0.000 2.264 86 D HA 0.341 4.981 4.640 0.000 0.000 0.249 86 D C -0.797 175.186 176.300 -0.528 0.000 1.070 86 D CA -0.018 53.796 54.000 -0.311 0.000 0.912 86 D CB 0.608 41.318 40.800 -0.150 0.000 1.193 86 D HN 0.311 nan 8.370 nan 0.000 0.427 87 F N -0.190 119.699 119.950 -0.102 0.000 2.613 87 F HA 0.271 4.798 4.527 0.000 0.000 0.342 87 F C 0.298 176.130 175.800 0.053 0.000 1.066 87 F CA -1.171 56.796 58.000 -0.056 0.000 1.002 87 F CB 1.081 39.993 39.000 -0.147 0.000 1.319 87 F HN 0.295 nan 8.300 nan 0.000 0.495 88 W N 3.893 125.248 121.300 0.092 0.000 2.724 88 W HA 0.088 4.748 4.660 -0.000 0.000 0.347 88 W C 0.338 176.855 176.519 -0.004 0.000 1.338 88 W CA -0.381 56.971 57.345 0.011 0.000 1.450 88 W CB 0.137 29.595 29.460 -0.004 0.000 1.534 88 W HN 0.569 nan 8.180 nan 0.000 0.508 89 E N 3.777 123.721 120.200 -0.426 0.000 2.975 89 E HA -0.176 4.174 4.350 0.000 0.000 0.269 89 E C -0.149 176.102 176.600 -0.582 0.000 0.905 89 E CA 0.284 56.396 56.400 -0.479 0.000 0.967 89 E CB 0.720 30.114 29.700 -0.510 0.000 0.925 89 E HN 0.329 nan 8.360 nan 0.000 0.507 90 V N 6.354 126.057 119.914 -0.352 0.000 2.415 90 V HA -0.104 4.016 4.120 0.000 0.000 0.252 90 V C 0.527 176.418 176.094 -0.339 0.000 1.043 90 V CA 0.282 62.399 62.300 -0.305 0.000 1.149 90 V CB -0.021 31.672 31.823 -0.217 0.000 1.143 90 V HN 0.660 nan 8.190 nan 0.000 0.478 91 Q N 3.210 122.749 119.800 -0.435 0.000 3.836 91 Q HA -0.095 4.245 4.340 0.000 0.000 0.390 91 Q C -0.248 175.623 176.000 -0.214 0.000 1.040 91 Q CA 0.811 56.399 55.803 -0.359 0.000 1.322 91 Q CB -0.287 28.301 28.738 -0.251 0.000 1.002 91 Q HN 0.724 nan 8.270 nan 0.000 0.457 92 L N 1.011 122.129 121.223 -0.175 0.000 2.488 92 L HA 0.637 4.977 4.340 0.000 0.000 0.249 92 L C 0.481 177.346 176.870 -0.008 0.000 1.151 92 L CA 0.480 55.279 54.840 -0.068 0.000 0.806 92 L CB 1.003 43.014 42.059 -0.080 0.000 1.261 92 L HN 0.794 nan 8.230 nan 0.000 0.484 93 G N 2.477 111.306 108.800 0.048 0.000 3.035 93 G HA2 -0.115 3.845 3.960 0.000 0.000 0.674 93 G HA3 -0.115 3.845 3.960 0.000 0.000 0.674 93 G C -0.818 174.158 174.900 0.127 0.000 1.159 93 G CA -0.196 44.936 45.100 0.053 0.000 1.098 93 G HN 0.821 nan 8.290 nan 0.000 0.473 94 I N 1.333 121.962 120.570 0.099 0.000 2.441 94 I HA 0.599 4.769 4.170 0.000 0.000 0.287 94 I C -0.938 175.198 176.117 0.031 0.000 1.049 94 I CA -2.190 59.142 61.300 0.055 0.000 1.381 94 I CB 0.819 38.778 38.000 -0.068 0.000 1.409 94 I HN 0.284 nan 8.210 nan 0.000 0.523 95 P HA -0.119 nan 4.420 nan 0.000 0.264 95 P C -0.722 176.534 177.300 -0.074 0.000 1.179 95 P CA 0.380 63.410 63.100 -0.117 0.000 0.763 95 P CB 0.419 31.943 31.700 -0.293 0.000 0.806 96 H N 4.223 123.128 119.070 -0.275 0.000 2.604 96 H HA 0.160 4.716 4.556 0.000 0.000 0.306 96 H C -1.613 173.385 175.328 -0.550 0.000 1.075 96 H CA -1.930 53.877 56.048 -0.402 0.000 1.357 96 H CB 1.027 30.541 29.762 -0.412 0.000 1.426 96 H HN 0.171 nan 8.280 nan 0.000 0.470 97 P HA -0.193 nan 4.420 nan 0.000 0.218 97 P C 1.000 178.002 177.300 -0.497 0.000 1.150 97 P CA 2.066 64.711 63.100 -0.758 0.000 0.841 97 P CB 0.108 31.089 31.700 -1.198 0.000 0.784 98 A N -0.964 121.646 122.820 -0.350 0.000 2.216 98 A HA 0.062 4.382 4.320 0.000 0.000 0.214 98 A C 2.163 179.932 177.584 0.309 0.000 1.160 98 A CA 1.600 53.721 52.037 0.140 0.000 0.725 98 A CB -1.297 17.879 19.000 0.292 0.000 0.784 98 A HN 0.331 nan 8.150 nan 0.000 0.472 99 G N -1.059 107.722 108.800 -0.032 0.000 2.921 99 G HA2 0.372 4.332 3.960 0.000 0.000 0.213 99 G HA3 0.372 4.332 3.960 0.000 0.000 0.213 99 G C 0.433 175.323 174.900 -0.017 0.000 1.143 99 G CA -0.343 44.663 45.100 -0.158 0.000 0.764 99 G HN 0.360 nan 8.290 nan 0.000 0.542 100 L N 1.259 122.455 121.223 -0.045 0.000 2.416 100 L HA 0.288 4.628 4.340 0.000 0.000 0.272 100 L C 0.004 176.927 176.870 0.088 0.000 1.161 100 L CA -0.523 54.284 54.840 -0.054 0.000 0.845 100 L CB 0.832 42.734 42.059 -0.261 0.000 1.119 100 L HN -0.139 nan 8.230 nan 0.000 0.464 101 K N 3.393 123.894 120.400 0.168 0.000 2.339 101 K HA 0.119 4.439 4.320 0.000 0.000 0.286 101 K C -0.105 176.549 176.600 0.090 0.000 1.050 101 K CA -0.205 56.207 56.287 0.207 0.000 0.956 101 K CB 0.535 33.154 32.500 0.198 0.000 0.990 101 K HN 0.291 nan 8.250 nan 0.000 0.475 102 K N 2.913 123.400 120.400 0.145 0.000 2.485 102 K HA -0.039 4.281 4.320 0.000 0.000 0.277 102 K C -0.388 176.262 176.600 0.084 0.000 0.990 102 K CA 0.502 56.888 56.287 0.165 0.000 0.994 102 K CB 0.445 33.108 32.500 0.271 0.000 0.906 102 K HN 0.269 nan 8.250 nan 0.000 0.488 103 K N 3.293 123.727 120.400 0.057 0.000 2.444 103 K HA 0.224 4.544 4.320 0.000 0.000 0.252 103 K C 0.381 176.974 176.600 -0.012 0.000 0.993 103 K CA -0.744 55.542 56.287 -0.002 0.000 0.847 103 K CB 1.449 33.911 32.500 -0.063 0.000 1.340 103 K HN 0.487 nan 8.250 nan 0.000 0.446 104 K N 0.458 120.824 120.400 -0.057 0.000 2.076 104 K HA 0.096 4.416 4.320 0.000 0.000 0.204 104 K C 0.142 176.655 176.600 -0.144 0.000 1.051 104 K CA 0.883 57.129 56.287 -0.069 0.000 0.949 104 K CB 0.233 32.693 32.500 -0.068 0.000 0.726 104 K HN 0.339 nan 8.250 nan 0.000 0.443 105 S N 0.299 115.816 115.700 -0.304 0.000 2.547 105 S HA 0.453 4.923 4.470 0.000 0.000 0.281 105 S C -1.159 173.140 174.600 -0.501 0.000 1.118 105 S CA -0.849 57.046 58.200 -0.508 0.000 0.947 105 S CB 2.704 65.299 63.200 -1.009 0.000 1.053 105 S HN -0.133 nan 8.310 nan 0.000 0.482 106 V N 2.742 122.506 119.914 -0.250 0.000 2.569 106 V HA 0.570 4.690 4.120 0.000 0.000 0.301 106 V C -0.477 175.592 176.094 -0.043 0.000 1.044 106 V CA -0.520 61.640 62.300 -0.233 0.000 0.874 106 V CB 2.095 33.688 31.823 -0.383 0.000 1.002 106 V HN 0.945 nan 8.190 nan 0.000 0.424 107 T N 3.657 118.208 114.554 -0.005 0.000 2.912 107 T HA 0.735 5.085 4.350 0.000 0.000 0.288 107 T C -0.561 174.102 174.700 -0.061 0.000 1.030 107 T CA -0.574 61.569 62.100 0.073 0.000 1.020 107 T CB 2.285 71.219 68.868 0.111 0.000 1.056 107 T HN 0.322 nan 8.240 nan 0.000 0.480 108 V N 2.734 122.669 119.914 0.035 0.000 2.715 108 V HA 0.599 4.719 4.120 0.000 0.000 0.310 108 V C -0.793 175.344 176.094 0.072 0.000 1.054 108 V CA -0.819 61.456 62.300 -0.042 0.000 0.928 108 V CB 1.731 33.427 31.823 -0.210 0.000 1.007 108 V HN 0.668 nan 8.190 nan 0.000 0.437 109 L N 2.950 124.204 121.223 0.051 0.000 2.409 109 L HA 0.475 4.815 4.340 0.000 0.000 0.272 109 L C -0.902 176.020 176.870 0.086 0.000 0.980 109 L CA -0.603 54.277 54.840 0.066 0.000 0.826 109 L CB 2.085 44.163 42.059 0.032 0.000 1.268 109 L HN 0.606 nan 8.230 nan 0.000 0.407 110 D N 2.591 123.049 120.400 0.098 0.000 2.374 110 D HA 0.198 4.838 4.640 0.000 0.000 0.240 110 D C 0.237 176.594 176.300 0.094 0.000 1.229 110 D CA -0.301 53.762 54.000 0.105 0.000 0.895 110 D CB 1.122 41.984 40.800 0.102 0.000 1.046 110 D HN 0.258 nan 8.370 nan 0.000 0.498 111 V N 3.073 123.058 119.914 0.118 0.000 2.135 111 V HA 0.488 4.608 4.120 0.000 0.000 0.287 111 V C 1.382 177.534 176.094 0.097 0.000 1.607 111 V CA -0.098 62.281 62.300 0.132 0.000 1.585 111 V CB 0.115 32.074 31.823 0.226 0.000 1.470 111 V HN 0.489 nan 8.190 nan 0.000 0.513 112 G N 2.399 111.231 108.800 0.054 0.000 2.616 112 G HA2 -0.223 3.737 3.960 0.000 0.000 0.215 112 G HA3 -0.223 3.737 3.960 0.000 0.000 0.215 112 G C 0.817 175.673 174.900 -0.074 0.000 1.284 112 G CA 0.829 45.939 45.100 0.017 0.000 0.823 112 G HN 0.670 nan 8.290 nan 0.000 0.569 113 D N 0.991 121.341 120.400 -0.084 0.000 2.813 113 D HA 0.385 5.025 4.640 0.000 0.000 0.248 113 D C 1.706 177.908 176.300 -0.162 0.000 1.254 113 D CA 0.628 54.534 54.000 -0.157 0.000 0.921 113 D CB -0.183 40.574 40.800 -0.071 0.000 1.118 113 D HN 0.191 nan 8.370 nan 0.000 0.450 114 A N 0.173 122.860 122.820 -0.221 0.000 1.864 114 A HA -0.069 4.251 4.320 0.000 0.000 0.213 114 A C 1.813 179.232 177.584 -0.275 0.000 1.266 114 A CA 0.943 52.883 52.037 -0.162 0.000 0.612 114 A CB -1.150 17.807 19.000 -0.072 0.000 0.940 114 A HN 0.539 nan 8.150 nan 0.000 0.463 115 Y N -2.271 117.654 120.300 -0.624 0.000 2.365 115 Y HA -0.180 4.370 4.550 0.000 0.000 0.287 115 Y C 1.752 177.650 175.900 -0.004 0.000 1.162 115 Y CA 1.292 59.156 58.100 -0.394 0.000 1.260 115 Y CB -0.817 37.342 38.460 -0.502 0.000 0.976 115 Y HN 0.181 nan 8.280 nan 0.000 0.548 116 F N 1.058 120.561 119.950 -0.746 0.000 2.661 116 F HA 0.069 4.596 4.527 0.000 0.000 0.298 116 F C 1.518 177.238 175.800 -0.133 0.000 1.137 116 F CA 0.471 58.234 58.000 -0.394 0.000 1.454 116 F CB -0.159 38.545 39.000 -0.493 0.000 1.103 116 F HN 0.038 nan 8.300 nan 0.000 0.577 117 S N -0.446 115.225 115.700 -0.047 0.000 2.614 117 S HA 0.251 4.721 4.470 0.000 0.000 0.230 117 S C 0.017 174.638 174.600 0.034 0.000 0.952 117 S CA -0.105 58.092 58.200 -0.005 0.000 0.949 117 S CB 0.020 63.245 63.200 0.041 0.000 0.786 117 S HN -0.114 nan 8.310 nan 0.000 0.478 118 V N 4.670 124.604 119.914 0.033 0.000 2.409 118 V HA 0.369 4.489 4.120 0.000 0.000 0.291 118 V C -2.323 173.792 176.094 0.036 0.000 1.020 118 V CA -2.355 59.994 62.300 0.082 0.000 0.848 118 V CB 1.816 33.744 31.823 0.176 0.000 0.990 118 V HN 0.112 nan 8.190 nan 0.000 0.430 119 P HA 0.068 nan 4.420 nan 0.000 0.267 119 P C -0.759 176.556 177.300 0.024 0.000 1.200 119 P CA -0.089 63.024 63.100 0.022 0.000 0.772 119 P CB 1.235 32.959 31.700 0.039 0.000 0.855 120 L N 2.295 123.520 121.223 0.002 0.000 2.317 120 L HA 0.436 4.776 4.340 0.000 0.000 0.281 120 L C -0.015 176.873 176.870 0.029 0.000 1.024 120 L CA -0.736 54.098 54.840 -0.011 0.000 0.810 120 L CB 1.000 43.003 42.059 -0.094 0.000 1.240 120 L HN 0.202 nan 8.230 nan 0.000 0.427 121 D N 2.742 123.176 120.400 0.057 0.000 2.658 121 D HA -0.142 4.498 4.640 0.000 0.000 0.230 121 D C 1.056 177.421 176.300 0.108 0.000 1.118 121 D CA 0.777 54.832 54.000 0.092 0.000 0.848 121 D CB 0.868 41.737 40.800 0.115 0.000 1.160 121 D HN 0.759 nan 8.370 nan 0.000 0.497 122 E N 2.853 123.104 120.200 0.085 0.000 2.037 122 E HA -0.275 4.075 4.350 0.000 0.000 0.214 122 E C 1.010 177.661 176.600 0.086 0.000 1.041 122 E CA 2.308 58.750 56.400 0.071 0.000 0.872 122 E CB -0.257 29.478 29.700 0.058 0.000 0.785 122 E HN 0.631 nan 8.360 nan 0.000 0.476 123 D N -1.096 119.369 120.400 0.108 0.000 2.362 123 D HA -0.174 4.466 4.640 0.000 0.000 0.215 123 D C 1.174 177.581 176.300 0.179 0.000 0.978 123 D CA 0.774 54.845 54.000 0.119 0.000 0.921 123 D CB -0.264 40.622 40.800 0.143 0.000 0.895 123 D HN 0.246 nan 8.370 nan 0.000 0.494 124 F N 0.190 120.181 119.950 0.069 0.000 2.727 124 F HA 0.225 4.752 4.527 0.000 0.000 0.302 124 F C 1.770 177.569 175.800 -0.001 0.000 1.097 124 F CA -0.172 57.916 58.000 0.146 0.000 1.330 124 F CB 0.264 39.340 39.000 0.125 0.000 1.084 124 F HN -0.255 nan 8.300 nan 0.000 0.578 125 R N 0.964 121.455 120.500 -0.015 0.000 2.096 125 R HA -0.157 4.183 4.340 0.000 0.000 0.235 125 R C 2.435 178.634 176.300 -0.168 0.000 1.127 125 R CA 1.764 57.818 56.100 -0.076 0.000 0.968 125 R CB -0.377 29.916 30.300 -0.011 0.000 0.861 125 R HN 0.296 nan 8.270 nan 0.000 0.440 126 K N 0.421 120.643 120.400 -0.297 0.000 2.009 126 K HA -0.206 4.114 4.320 0.000 0.000 0.210 126 K C 1.604 177.969 176.600 -0.392 0.000 1.049 126 K CA 1.771 57.866 56.287 -0.320 0.000 0.929 126 K CB -0.838 31.425 32.500 -0.394 0.000 0.714 126 K HN 0.229 nan 8.250 nan 0.000 0.440 127 Y N 2.943 122.959 120.300 -0.474 0.000 2.639 127 Y HA -0.113 4.437 4.550 0.000 0.000 0.289 127 Y C 2.113 177.861 175.900 -0.254 0.000 1.155 127 Y CA 1.389 59.130 58.100 -0.599 0.000 1.379 127 Y CB -0.962 36.943 38.460 -0.925 0.000 0.967 127 Y HN 0.398 nan 8.280 nan 0.000 0.569 128 T N -2.928 111.595 114.554 -0.052 0.000 3.186 128 T HA 0.556 4.906 4.350 0.000 0.000 0.257 128 T C 0.671 175.547 174.700 0.293 0.000 1.029 128 T CA -0.092 62.111 62.100 0.172 0.000 0.916 128 T CB -0.446 68.450 68.868 0.046 0.000 1.041 128 T HN 0.226 nan 8.240 nan 0.000 0.562 129 A N 2.220 125.200 122.820 0.266 0.000 2.492 129 A HA 0.589 4.909 4.320 0.000 0.000 0.254 129 A C 0.089 177.964 177.584 0.485 0.000 1.091 129 A CA -0.763 51.505 52.037 0.385 0.000 0.768 129 A CB -0.467 18.702 19.000 0.282 0.000 1.028 129 A HN 0.733 nan 8.150 nan 0.000 0.498 130 F N -0.083 119.979 119.950 0.187 0.000 2.631 130 F HA 0.888 5.415 4.527 0.000 0.000 0.350 130 F C 0.020 175.903 175.800 0.138 0.000 1.080 130 F CA -1.119 56.973 58.000 0.153 0.000 1.026 130 F CB 1.905 40.995 39.000 0.151 0.000 1.347 130 F HN 0.281 nan 8.300 nan 0.000 0.501 131 T N 2.125 116.762 114.554 0.137 0.000 3.186 131 T HA 0.368 4.718 4.350 0.000 0.000 0.320 131 T C -0.638 174.035 174.700 -0.044 0.000 0.955 131 T CA -0.439 61.644 62.100 -0.028 0.000 1.030 131 T CB 0.987 69.866 68.868 0.018 0.000 1.013 131 T HN 0.420 nan 8.240 nan 0.000 0.454 132 I N 5.416 125.918 120.570 -0.113 0.000 2.416 132 I HA 0.208 4.378 4.170 0.000 0.000 0.288 132 I C -1.622 174.461 176.117 -0.056 0.000 1.051 132 I CA -2.144 59.121 61.300 -0.058 0.000 1.375 132 I CB 1.016 38.992 38.000 -0.039 0.000 1.407 132 I HN 0.341 nan 8.210 nan 0.000 0.516 133 P HA -0.055 nan 4.420 nan 0.000 0.230 133 P C -0.206 177.062 177.300 -0.054 0.000 1.291 133 P CA 0.514 63.587 63.100 -0.045 0.000 0.702 133 P CB 0.312 31.989 31.700 -0.038 0.000 0.903 134 S N -3.622 112.047 115.700 -0.051 0.000 2.671 134 S HA 0.276 4.746 4.470 0.000 0.000 0.270 134 S C 0.925 175.496 174.600 -0.048 0.000 1.166 134 S CA -0.719 57.449 58.200 -0.052 0.000 0.868 134 S CB -0.415 62.753 63.200 -0.053 0.000 1.190 134 S HN 0.112 nan 8.310 nan 0.000 0.494 135 I N 1.382 121.925 120.570 -0.045 0.000 2.208 135 I HA -0.061 4.109 4.170 0.000 0.000 0.245 135 I C 1.064 177.158 176.117 -0.039 0.000 1.097 135 I CA 1.483 62.758 61.300 -0.041 0.000 1.363 135 I CB -0.300 37.678 38.000 -0.037 0.000 1.051 135 I HN 0.685 nan 8.210 nan 0.000 0.413 136 N N 0.701 119.377 118.700 -0.040 0.000 2.635 136 N HA -0.020 4.720 4.740 0.000 0.000 0.260 136 N C -1.236 174.247 175.510 -0.045 0.000 1.078 136 N CA -0.531 52.495 53.050 -0.040 0.000 1.012 136 N CB 0.892 39.358 38.487 -0.035 0.000 1.677 136 N HN 0.073 nan 8.380 nan 0.000 0.514 137 N N 2.497 121.166 118.700 -0.051 0.000 2.192 137 N HA -0.179 4.561 4.740 0.000 0.000 0.265 137 N C 0.062 175.542 175.510 -0.050 0.000 1.251 137 N CA 1.055 54.071 53.050 -0.056 0.000 1.107 137 N CB 0.072 38.519 38.487 -0.066 0.000 1.396 137 N HN 0.627 nan 8.380 nan 0.000 0.501 138 E N -0.843 119.328 120.200 -0.048 0.000 2.527 138 E HA 0.048 4.398 4.350 0.000 0.000 0.211 138 E C -0.668 175.904 176.600 -0.046 0.000 1.031 138 E CA 0.518 56.891 56.400 -0.044 0.000 1.654 138 E CB 0.427 30.103 29.700 -0.040 0.000 2.873 138 E HN 0.460 nan 8.360 nan 0.000 1.109 139 T N 4.163 118.687 114.554 -0.049 0.000 3.254 139 T HA 0.255 4.605 4.350 0.000 0.000 0.385 139 T C -1.957 172.706 174.700 -0.062 0.000 1.528 139 T CA -1.172 60.895 62.100 -0.054 0.000 1.212 139 T CB 1.741 70.577 68.868 -0.053 0.000 1.145 139 T HN 0.021 nan 8.240 nan 0.000 0.631 140 P HA 0.062 nan 4.420 nan 0.000 0.230 140 P C 1.914 179.160 177.300 -0.089 0.000 1.168 140 P CA 0.255 63.314 63.100 -0.069 0.000 0.793 140 P CB -0.040 31.625 31.700 -0.059 0.000 0.851 141 G N 1.842 110.586 108.800 -0.093 0.000 2.852 141 G HA2 -0.263 3.697 3.960 0.000 0.000 0.225 141 G HA3 -0.263 3.697 3.960 0.000 0.000 0.225 141 G C 0.967 175.760 174.900 -0.178 0.000 1.080 141 G CA 0.318 45.347 45.100 -0.118 0.000 0.729 141 G HN 0.348 nan 8.290 nan 0.000 0.636 142 I N 1.407 121.865 120.570 -0.186 0.000 2.624 142 I HA 0.119 4.289 4.170 0.000 0.000 0.307 142 I C 0.389 176.290 176.117 -0.360 0.000 1.191 142 I CA 0.257 61.385 61.300 -0.286 0.000 1.708 142 I CB -0.185 37.709 38.000 -0.176 0.000 1.521 142 I HN 0.038 nan 8.210 nan 0.000 0.805 143 R N 5.032 125.260 120.500 -0.453 0.000 2.476 143 R HA 0.561 4.901 4.340 0.000 0.000 0.305 143 R C -1.191 174.855 176.300 -0.424 0.000 0.965 143 R CA -0.647 55.244 56.100 -0.349 0.000 0.867 143 R CB 1.942 32.150 30.300 -0.154 0.000 1.176 143 R HN 0.258 nan 8.270 nan 0.000 0.447 144 Y N 0.694 120.863 120.300 -0.218 0.000 2.833 144 Y HA 0.418 4.968 4.550 0.000 0.000 0.323 144 Y C 0.089 176.196 175.900 0.344 0.000 1.220 144 Y CA -0.764 57.339 58.100 0.004 0.000 1.174 144 Y CB 1.505 39.928 38.460 -0.062 0.000 1.404 144 Y HN 0.421 nan 8.280 nan 0.000 0.607 145 Q N -0.893 119.262 119.800 0.592 0.000 2.503 145 Q HA 0.372 4.712 4.340 0.000 0.000 0.268 145 Q C -2.317 173.809 176.000 0.210 0.000 0.982 145 Q CA -0.950 55.081 55.803 0.379 0.000 0.907 145 Q CB 1.084 29.948 28.738 0.211 0.000 1.467 145 Q HN 0.620 nan 8.270 nan 0.000 0.394 146 Y N 1.394 121.726 120.300 0.054 0.000 2.326 146 Y HA 0.242 4.792 4.550 0.000 0.000 0.333 146 Y C 1.091 176.953 175.900 -0.063 0.000 1.240 146 Y CA 0.292 58.368 58.100 -0.040 0.000 1.365 146 Y CB 0.799 39.187 38.460 -0.121 0.000 1.289 146 Y HN 0.716 nan 8.280 nan 0.000 0.548 147 N N 0.430 119.171 118.700 0.069 0.000 2.159 147 N HA 0.103 4.843 4.740 0.000 0.000 0.217 147 N C -0.664 174.828 175.510 -0.030 0.000 1.223 147 N CA 0.361 53.417 53.050 0.010 0.000 0.896 147 N CB 1.153 39.635 38.487 -0.007 0.000 1.064 147 N HN 0.378 nan 8.380 nan 0.000 0.518 148 V N -2.138 117.740 119.914 -0.059 0.000 3.164 148 V HA 0.552 4.672 4.120 0.000 0.000 0.313 148 V C -0.101 175.917 176.094 -0.127 0.000 1.188 148 V CA -1.064 61.160 62.300 -0.127 0.000 1.058 148 V CB 1.516 33.151 31.823 -0.315 0.000 1.110 148 V HN -0.142 nan 8.190 nan 0.000 0.453 149 L N 2.250 123.442 121.223 -0.052 0.000 2.565 149 L HA 0.333 4.673 4.340 0.000 0.000 0.275 149 L C -2.266 174.654 176.870 0.083 0.000 1.137 149 L CA -1.198 53.659 54.840 0.028 0.000 0.915 149 L CB 0.133 42.319 42.059 0.211 0.000 1.232 149 L HN 0.483 nan 8.230 nan 0.000 0.473 150 P HA -0.008 nan 4.420 nan 0.000 0.271 150 P C -0.421 176.868 177.300 -0.019 0.000 1.233 150 P CA -0.237 62.588 63.100 -0.458 0.000 0.764 150 P CB 0.502 31.526 31.700 -1.127 0.000 0.825 151 Q N 2.962 122.929 119.800 0.278 0.000 2.333 151 Q HA 0.128 4.468 4.340 0.000 0.000 0.299 151 Q C 1.293 177.342 176.000 0.082 0.000 1.067 151 Q CA 1.315 57.202 55.803 0.140 0.000 0.943 151 Q CB -0.375 28.507 28.738 0.240 0.000 1.233 151 Q HN 0.817 nan 8.270 nan 0.000 0.401 152 G N 2.950 111.729 108.800 -0.036 0.000 2.267 152 G HA2 -0.329 3.631 3.960 0.000 0.000 0.257 152 G HA3 -0.329 3.631 3.960 0.000 0.000 0.257 152 G C -0.234 174.700 174.900 0.055 0.000 0.998 152 G CA 0.217 45.338 45.100 0.036 0.000 0.620 152 G HN 0.816 nan 8.290 nan 0.000 0.529 153 W N 1.942 123.076 121.300 -0.276 0.000 2.123 153 W HA 0.477 5.137 4.660 0.000 0.000 0.351 153 W C 1.534 177.913 176.519 -0.234 0.000 1.292 153 W CA 0.441 57.547 57.345 -0.397 0.000 1.263 153 W CB 0.535 29.636 29.460 -0.599 0.000 1.165 153 W HN 0.098 nan 8.180 nan 0.000 0.590 154 K N 1.698 121.592 120.400 -0.845 0.000 2.025 154 K HA -0.060 4.260 4.320 0.000 0.000 0.207 154 K C 1.588 177.603 176.600 -0.976 0.000 1.049 154 K CA 1.626 57.464 56.287 -0.748 0.000 0.933 154 K CB -0.726 31.447 32.500 -0.544 0.000 0.714 154 K HN 0.665 nan 8.250 nan 0.000 0.438 155 G N -0.087 107.552 108.800 -1.935 0.000 3.383 155 G HA2 0.010 3.970 3.960 0.000 0.000 0.251 155 G HA3 0.010 3.970 3.960 0.000 0.000 0.251 155 G C 0.866 175.053 174.900 -1.188 0.000 1.203 155 G CA -0.249 43.601 45.100 -2.084 0.000 0.852 155 G HN 0.164 nan 8.290 nan 0.000 0.531 156 S N 1.383 116.725 115.700 -0.597 0.000 2.345 156 S HA -0.022 4.448 4.470 0.000 0.000 0.219 156 S C 0.130 174.626 174.600 -0.173 0.000 1.031 156 S CA 1.035 59.142 58.200 -0.155 0.000 0.984 156 S CB -0.336 62.801 63.200 -0.105 0.000 0.874 156 S HN 0.264 nan 8.310 nan 0.000 0.451 157 P HA -0.077 nan 4.420 nan 0.000 0.216 157 P C 1.324 178.564 177.300 -0.100 0.000 1.153 157 P CA 1.514 64.540 63.100 -0.122 0.000 0.858 157 P CB -0.097 31.495 31.700 -0.180 0.000 0.789 158 A N -0.558 122.117 122.820 -0.242 0.000 1.877 158 A HA -0.155 4.165 4.320 0.000 0.000 0.216 158 A C 2.143 179.635 177.584 -0.153 0.000 1.186 158 A CA 1.493 53.402 52.037 -0.213 0.000 0.620 158 A CB -1.586 17.241 19.000 -0.288 0.000 0.822 158 A HN 0.130 nan 8.150 nan 0.000 0.443 159 I N -1.530 118.922 120.570 -0.197 0.000 3.001 159 I HA -0.106 4.064 4.170 0.000 0.000 0.268 159 I C 2.110 178.246 176.117 0.033 0.000 1.267 159 I CA 0.706 61.963 61.300 -0.072 0.000 1.472 159 I CB -0.195 37.774 38.000 -0.051 0.000 1.089 159 I HN 0.467 nan 8.210 nan 0.000 0.468 160 F N 1.686 121.590 119.950 -0.076 0.000 2.188 160 F HA -0.103 4.424 4.527 0.000 0.000 0.289 160 F C 2.583 178.353 175.800 -0.050 0.000 1.082 160 F CA 1.368 59.352 58.000 -0.026 0.000 1.282 160 F CB -0.542 38.471 39.000 0.021 0.000 1.060 160 F HN -0.041 nan 8.300 nan 0.000 0.493 161 Q N 0.010 119.580 119.800 -0.384 0.000 2.112 161 Q HA -0.245 4.095 4.340 0.000 0.000 0.206 161 Q C 2.343 178.142 176.000 -0.335 0.000 0.987 161 Q CA 2.359 57.896 55.803 -0.442 0.000 0.858 161 Q CB -0.475 28.118 28.738 -0.241 0.000 0.905 161 Q HN 0.505 nan 8.270 nan 0.000 0.420 162 S N -0.350 115.228 115.700 -0.203 0.000 2.354 162 S HA -0.171 4.299 4.470 0.000 0.000 0.219 162 S C 2.081 176.571 174.600 -0.183 0.000 1.035 162 S CA 1.811 59.929 58.200 -0.136 0.000 1.037 162 S CB -0.546 62.617 63.200 -0.061 0.000 0.956 162 S HN 0.565 nan 8.310 nan 0.000 0.428 163 S N 1.211 116.804 115.700 -0.178 0.000 2.387 163 S HA -0.105 4.365 4.470 0.000 0.000 0.230 163 S C 1.982 176.404 174.600 -0.295 0.000 1.035 163 S CA 1.580 59.670 58.200 -0.183 0.000 1.014 163 S CB -0.420 62.731 63.200 -0.083 0.000 0.836 163 S HN 0.443 nan 8.310 nan 0.000 0.466 164 M N 0.980 120.318 119.600 -0.437 0.000 2.132 164 M HA -0.068 4.412 4.480 0.000 0.000 0.263 164 M C 2.321 178.429 176.300 -0.319 0.000 1.065 164 M CA 1.436 56.466 55.300 -0.451 0.000 1.122 164 M CB -1.741 30.456 32.600 -0.671 0.000 1.365 164 M HN 0.262 nan 8.290 nan 0.000 0.411 165 T N 0.937 115.331 114.554 -0.267 0.000 2.665 165 T HA -0.180 4.170 4.350 0.000 0.000 0.268 165 T C 1.803 176.408 174.700 -0.159 0.000 1.035 165 T CA 1.440 63.438 62.100 -0.171 0.000 1.151 165 T CB -0.067 68.723 68.868 -0.129 0.000 0.862 165 T HN 0.387 nan 8.240 nan 0.000 0.438 166 K N 0.479 120.765 120.400 -0.190 0.000 2.057 166 K HA 0.029 4.349 4.320 0.000 0.000 0.207 166 K C 2.256 178.677 176.600 -0.298 0.000 1.049 166 K CA 1.081 57.251 56.287 -0.194 0.000 0.931 166 K CB -0.318 32.067 32.500 -0.191 0.000 0.714 166 K HN 0.364 nan 8.250 nan 0.000 0.440 167 I N 1.339 121.632 120.570 -0.461 0.000 2.286 167 I HA -0.268 3.902 4.170 0.000 0.000 0.248 167 I C 2.200 178.094 176.117 -0.371 0.000 1.115 167 I CA 1.225 62.062 61.300 -0.773 0.000 1.392 167 I CB -0.221 37.281 38.000 -0.830 0.000 1.065 167 I HN 0.153 nan 8.210 nan 0.000 0.418 168 L N 0.045 121.164 121.223 -0.173 0.000 2.240 168 L HA -0.150 4.190 4.340 0.000 0.000 0.211 168 L C 2.415 179.388 176.870 0.171 0.000 1.106 168 L CA 0.836 55.702 54.840 0.043 0.000 0.793 168 L CB -0.548 41.505 42.059 -0.011 0.000 0.927 168 L HN 0.273 nan 8.230 nan 0.000 0.446 169 E N 0.786 121.027 120.200 0.070 0.000 2.065 169 E HA -0.248 4.102 4.350 0.000 0.000 0.201 169 E C -0.634 176.044 176.600 0.131 0.000 1.016 169 E CA 1.843 58.293 56.400 0.084 0.000 0.818 169 E CB -0.564 29.153 29.700 0.027 0.000 0.749 169 E HN 0.308 nan 8.360 nan 0.000 0.453 170 P HA -0.136 nan 4.420 nan 0.000 0.221 170 P C 0.727 178.079 177.300 0.086 0.000 1.145 170 P CA 0.951 64.145 63.100 0.155 0.000 0.795 170 P CB -0.049 31.819 31.700 0.280 0.000 0.775 171 F N 0.516 120.467 119.950 0.002 0.000 2.317 171 F HA 0.067 4.594 4.527 0.000 0.000 0.293 171 F C 1.764 177.560 175.800 -0.006 0.000 1.085 171 F CA 1.074 59.027 58.000 -0.078 0.000 1.390 171 F CB -0.098 38.941 39.000 0.065 0.000 1.077 171 F HN -0.290 nan 8.300 nan 0.000 0.517 172 K N 0.282 120.843 120.400 0.269 0.000 2.283 172 K HA -0.130 4.190 4.320 0.000 0.000 0.202 172 K C 1.937 178.551 176.600 0.023 0.000 1.048 172 K CA 1.021 57.404 56.287 0.159 0.000 0.948 172 K CB -0.059 32.532 32.500 0.151 0.000 0.742 172 K HN 0.281 nan 8.250 nan 0.000 0.458 173 K N 1.135 121.535 120.400 -0.001 0.000 1.984 173 K HA -0.131 4.189 4.320 0.000 0.000 0.209 173 K C 2.051 178.599 176.600 -0.088 0.000 1.046 173 K CA 1.280 57.549 56.287 -0.029 0.000 0.934 173 K CB -0.047 32.444 32.500 -0.014 0.000 0.717 173 K HN 0.179 nan 8.250 nan 0.000 0.438 174 Q N 0.434 120.136 119.800 -0.163 0.000 2.443 174 Q HA -0.072 4.268 4.340 0.000 0.000 0.213 174 Q C 0.032 175.884 176.000 -0.246 0.000 0.982 174 Q CA 0.701 56.372 55.803 -0.220 0.000 0.894 174 Q CB 0.033 28.580 28.738 -0.319 0.000 0.947 174 Q HN 0.263 nan 8.270 nan 0.000 0.480 175 N N -0.314 118.244 118.700 -0.236 0.000 2.672 175 N HA 0.137 4.877 4.740 0.000 0.000 0.295 175 N C -2.394 173.085 175.510 -0.051 0.000 1.924 175 N CA -0.867 52.082 53.050 -0.168 0.000 0.851 175 N CB 1.298 39.628 38.487 -0.262 0.000 1.281 175 N HN -0.002 nan 8.380 nan 0.000 0.494 176 P HA -0.170 nan 4.420 nan 0.000 0.218 176 P C 0.690 177.998 177.300 0.012 0.000 1.146 176 P CA 1.414 64.513 63.100 -0.002 0.000 0.813 176 P CB 0.310 32.006 31.700 -0.007 0.000 0.778 177 D N 0.431 120.835 120.400 0.007 0.000 2.085 177 D HA -0.100 4.540 4.640 0.000 0.000 0.199 177 D C 1.425 177.743 176.300 0.030 0.000 0.981 177 D CA 0.475 54.486 54.000 0.018 0.000 0.834 177 D CB -1.565 39.244 40.800 0.015 0.000 0.992 177 D HN 0.257 nan 8.370 nan 0.000 0.457 178 I N -0.304 120.292 120.570 0.042 0.000 3.194 178 I HA 0.289 4.459 4.170 0.000 0.000 0.283 178 I C -0.049 176.087 176.117 0.032 0.000 1.199 178 I CA -1.115 60.218 61.300 0.054 0.000 1.328 178 I CB 0.811 38.867 38.000 0.095 0.000 1.404 178 I HN -0.004 nan 8.210 nan 0.000 0.618 179 V N 2.280 122.187 119.914 -0.012 0.000 2.760 179 V HA 0.648 4.768 4.120 0.000 0.000 0.309 179 V C -0.627 175.368 176.094 -0.165 0.000 1.077 179 V CA -0.637 61.593 62.300 -0.117 0.000 0.910 179 V CB 1.457 33.134 31.823 -0.243 0.000 1.008 179 V HN 0.743 nan 8.190 nan 0.000 0.424 180 I N 4.592 125.077 120.570 -0.142 0.000 2.509 180 I HA 0.541 4.711 4.170 0.000 0.000 0.293 180 I C -1.225 174.927 176.117 0.058 0.000 1.020 180 I CA -0.566 60.718 61.300 -0.027 0.000 1.088 180 I CB 2.244 40.275 38.000 0.051 0.000 1.267 180 I HN 0.673 nan 8.210 nan 0.000 0.430 181 Y N 4.933 125.256 120.300 0.039 0.000 2.402 181 Y HA 0.246 4.796 4.550 0.000 0.000 0.325 181 Y C -0.135 175.765 175.900 0.000 0.000 1.009 181 Y CA -1.213 56.832 58.100 -0.093 0.000 1.278 181 Y CB 1.710 39.920 38.460 -0.416 0.000 1.105 181 Y HN 0.535 nan 8.280 nan 0.000 0.476 182 Q N 2.256 122.149 119.800 0.154 0.000 2.327 182 Q HA 0.336 4.676 4.340 0.000 0.000 0.254 182 Q C -1.770 174.266 176.000 0.060 0.000 0.952 182 Q CA -0.283 55.562 55.803 0.071 0.000 0.884 182 Q CB 1.443 30.147 28.738 -0.058 0.000 1.224 182 Q HN 0.696 nan 8.270 nan 0.000 0.422 183 Y N 2.487 122.816 120.300 0.049 0.000 2.278 183 Y HA 0.170 4.720 4.550 0.000 0.000 0.328 183 Y C 0.361 176.350 175.900 0.148 0.000 1.166 183 Y CA -0.413 57.743 58.100 0.093 0.000 1.211 183 Y CB 1.168 39.709 38.460 0.135 0.000 1.167 183 Y HN 0.938 nan 8.280 nan 0.000 0.434 184 M N 0.581 120.240 119.600 0.098 0.000 2.780 184 M HA -0.383 4.097 4.480 0.000 0.000 0.127 184 M C 0.450 176.904 176.300 0.256 0.000 0.722 184 M CA 2.693 58.091 55.300 0.163 0.000 0.488 184 M CB -0.750 31.957 32.600 0.179 0.000 1.807 184 M HN 0.745 nan 8.290 nan 0.000 0.249 185 D N -1.756 118.794 120.400 0.250 0.000 2.672 185 D HA 0.149 4.789 4.640 0.000 0.000 0.321 185 D C -0.917 175.508 176.300 0.207 0.000 1.496 185 D CA -0.120 54.028 54.000 0.247 0.000 0.901 185 D CB 0.168 41.066 40.800 0.163 0.000 1.441 185 D HN 0.340 nan 8.370 nan 0.000 0.423 186 D N 1.638 122.165 120.400 0.211 0.000 2.471 186 D HA 0.345 4.985 4.640 0.000 0.000 0.245 186 D C 0.163 176.542 176.300 0.132 0.000 1.116 186 D CA -0.316 53.784 54.000 0.166 0.000 0.853 186 D CB 2.440 43.347 40.800 0.179 0.000 1.123 186 D HN 0.147 nan 8.370 nan 0.000 0.540 187 L N 2.119 123.400 121.223 0.097 0.000 2.371 187 L HA 0.298 4.638 4.340 0.000 0.000 0.272 187 L C -0.277 176.634 176.870 0.068 0.000 1.124 187 L CA -0.759 54.128 54.840 0.080 0.000 0.816 187 L CB 0.769 42.854 42.059 0.042 0.000 1.129 187 L HN 0.388 nan 8.230 nan 0.000 0.448 188 Y N 3.358 123.606 120.300 -0.087 0.000 2.328 188 Y HA 0.620 5.170 4.550 0.000 0.000 0.336 188 Y C -1.149 174.664 175.900 -0.144 0.000 0.960 188 Y CA -0.958 57.046 58.100 -0.160 0.000 1.134 188 Y CB 1.522 39.855 38.460 -0.213 0.000 1.166 188 Y HN 0.209 nan 8.280 nan 0.000 0.464 189 V N 5.978 125.767 119.914 -0.208 0.000 2.483 189 V HA 0.765 4.885 4.120 0.000 0.000 0.297 189 V C 0.037 175.984 176.094 -0.246 0.000 1.027 189 V CA -0.422 61.797 62.300 -0.135 0.000 0.855 189 V CB 1.178 32.963 31.823 -0.065 0.000 0.995 189 V HN 0.997 nan 8.190 nan 0.000 0.424 190 G N 2.580 111.261 108.800 -0.198 0.000 2.519 190 G HA2 0.872 4.832 3.960 0.000 0.000 0.307 190 G HA3 0.872 4.832 3.960 0.000 0.000 0.307 190 G C -0.695 174.210 174.900 0.008 0.000 1.266 190 G CA -0.129 44.871 45.100 -0.166 0.000 0.970 190 G HN 1.077 nan 8.290 nan 0.000 0.481 191 S N -0.754 114.939 115.700 -0.011 0.000 2.661 191 S HA 0.557 5.027 4.470 0.000 0.000 0.268 191 S C -1.348 173.238 174.600 -0.022 0.000 1.162 191 S CA -0.781 57.443 58.200 0.040 0.000 0.817 191 S CB 2.192 65.510 63.200 0.196 0.000 1.141 191 S HN 0.320 nan 8.310 nan 0.000 0.477 192 D N 0.557 120.964 120.400 0.012 0.000 2.623 192 D HA 0.383 5.023 4.640 0.000 0.000 0.252 192 D C 0.732 177.040 176.300 0.014 0.000 1.294 192 D CA -0.103 53.896 54.000 -0.002 0.000 0.824 192 D CB 0.116 40.920 40.800 0.006 0.000 1.070 192 D HN 0.397 nan 8.370 nan 0.000 0.487 193 L N -0.110 121.137 121.223 0.040 0.000 2.615 193 L HA 0.269 4.609 4.340 0.000 0.000 0.155 193 L C 0.903 177.796 176.870 0.038 0.000 1.194 193 L CA -0.125 54.749 54.840 0.056 0.000 1.826 193 L CB 0.101 42.224 42.059 0.108 0.000 2.324 193 L HN -0.113 nan 8.230 nan 0.000 0.520 194 E N -0.528 119.706 120.200 0.057 0.000 2.238 194 E HA 0.252 4.602 4.350 0.000 0.000 0.267 194 E C 0.855 177.497 176.600 0.070 0.000 0.887 194 E CA -0.527 55.898 56.400 0.042 0.000 0.769 194 E CB 1.780 31.500 29.700 0.034 0.000 1.187 194 E HN 0.451 nan 8.360 nan 0.000 0.416 195 I N 2.484 123.081 120.570 0.044 0.000 2.285 195 I HA -0.336 3.834 4.170 0.000 0.000 0.254 195 I C 1.737 177.915 176.117 0.101 0.000 1.093 195 I CA 1.910 63.248 61.300 0.063 0.000 1.368 195 I CB -0.437 37.585 38.000 0.036 0.000 1.054 195 I HN 0.663 nan 8.210 nan 0.000 0.435 196 G N -0.740 108.105 108.800 0.075 0.000 2.656 196 G HA2 -0.088 3.872 3.960 0.000 0.000 0.211 196 G HA3 -0.088 3.872 3.960 0.000 0.000 0.211 196 G C 1.510 176.450 174.900 0.067 0.000 1.137 196 G CA 0.156 45.295 45.100 0.065 0.000 0.802 196 G HN 0.398 nan 8.290 nan 0.000 0.527 197 Q N -0.296 119.548 119.800 0.075 0.000 2.123 197 Q HA -0.125 4.215 4.340 0.000 0.000 0.199 197 Q C 2.125 178.176 176.000 0.086 0.000 0.966 197 Q CA 1.277 57.120 55.803 0.065 0.000 0.845 197 Q CB -0.173 28.601 28.738 0.059 0.000 0.907 197 Q HN 0.647 nan 8.270 nan 0.000 0.439 198 H N -0.236 118.847 119.070 0.021 0.000 2.457 198 H HA 0.055 4.611 4.556 0.000 0.000 0.294 198 H C 1.639 176.986 175.328 0.031 0.000 1.064 198 H CA 1.094 57.156 56.048 0.022 0.000 1.330 198 H CB 0.365 30.134 29.762 0.011 0.000 1.395 198 H HN 0.037 nan 8.280 nan 0.000 0.541 199 R N -0.600 119.929 120.500 0.048 0.000 2.193 199 R HA 0.010 4.350 4.340 0.000 0.000 0.213 199 R C 1.561 177.854 176.300 -0.013 0.000 1.055 199 R CA 1.230 57.334 56.100 0.007 0.000 0.995 199 R CB -0.123 30.209 30.300 0.054 0.000 0.893 199 R HN 0.421 nan 8.270 nan 0.000 0.459 200 T N 0.641 115.195 114.554 0.000 0.000 2.937 200 T HA 0.037 4.387 4.350 0.000 0.000 0.260 200 T C 1.722 176.433 174.700 0.019 0.000 1.051 200 T CA 0.491 62.599 62.100 0.013 0.000 1.141 200 T CB 0.195 69.076 68.868 0.021 0.000 0.879 200 T HN -0.011 nan 8.240 nan 0.000 0.459 201 K N 1.217 121.616 120.400 -0.002 0.000 2.097 201 K HA 0.118 4.438 4.320 0.000 0.000 0.205 201 K C 2.202 178.840 176.600 0.063 0.000 1.050 201 K CA 0.627 56.945 56.287 0.053 0.000 0.938 201 K CB -0.455 32.060 32.500 0.025 0.000 0.718 201 K HN 0.293 nan 8.250 nan 0.000 0.442 202 I N 1.147 121.667 120.570 -0.084 0.000 2.226 202 I HA -0.218 3.952 4.170 0.000 0.000 0.245 202 I C 2.169 178.277 176.117 -0.015 0.000 1.100 202 I CA 1.326 62.572 61.300 -0.090 0.000 1.374 202 I CB -0.845 37.064 38.000 -0.152 0.000 1.057 202 I HN 0.164 nan 8.210 nan 0.000 0.413 203 E N 0.970 121.176 120.200 0.010 0.000 2.285 203 E HA -0.187 4.163 4.350 0.000 0.000 0.194 203 E C 2.040 178.684 176.600 0.074 0.000 0.997 203 E CA 0.866 57.286 56.400 0.034 0.000 0.845 203 E CB -0.039 29.681 29.700 0.032 0.000 0.782 203 E HN 0.442 nan 8.360 nan 0.000 0.491 204 E N -0.554 119.717 120.200 0.119 0.000 2.047 204 E HA -0.170 4.180 4.350 0.000 0.000 0.191 204 E C 1.936 178.712 176.600 0.293 0.000 0.987 204 E CA 1.013 57.539 56.400 0.210 0.000 0.799 204 E CB -0.144 29.708 29.700 0.253 0.000 0.752 204 E HN 0.277 nan 8.360 nan 0.000 0.449 205 L N 1.650 122.992 121.223 0.198 0.000 1.989 205 L HA -0.221 4.119 4.340 0.000 0.000 0.211 205 L C 2.228 179.070 176.870 -0.048 0.000 1.071 205 L CA 1.833 56.540 54.840 -0.222 0.000 0.749 205 L CB -0.493 41.233 42.059 -0.555 0.000 0.890 205 L HN 0.040 nan 8.230 nan 0.000 0.431 206 R N -0.819 119.672 120.500 -0.015 0.000 2.113 206 R HA -0.227 4.113 4.340 0.000 0.000 0.244 206 R C 2.177 178.510 176.300 0.055 0.000 1.142 206 R CA 1.830 57.937 56.100 0.012 0.000 0.953 206 R CB -0.688 29.624 30.300 0.021 0.000 0.860 206 R HN 0.538 nan 8.270 nan 0.000 0.438 207 Q N -0.355 119.501 119.800 0.093 0.000 2.119 207 Q HA -0.171 4.169 4.340 0.000 0.000 0.201 207 Q C 2.041 178.139 176.000 0.163 0.000 0.972 207 Q CA 1.421 57.288 55.803 0.108 0.000 0.847 207 Q CB -0.586 28.218 28.738 0.109 0.000 0.903 207 Q HN 0.650 nan 8.270 nan 0.000 0.433 208 H N 0.409 119.552 119.070 0.122 0.000 2.321 208 H HA -0.066 4.490 4.556 0.000 0.000 0.300 208 H C 2.111 177.600 175.328 0.269 0.000 1.087 208 H CA 1.133 57.303 56.048 0.204 0.000 1.319 208 H CB 0.107 30.055 29.762 0.309 0.000 1.379 208 H HN 0.140 nan 8.280 nan 0.000 0.501 209 L N 0.273 121.504 121.223 0.013 0.000 2.017 209 L HA -0.210 4.130 4.340 0.000 0.000 0.208 209 L C 2.844 179.773 176.870 0.098 0.000 1.073 209 L CA 0.829 55.664 54.840 -0.008 0.000 0.745 209 L CB -0.399 41.637 42.059 -0.038 0.000 0.894 209 L HN 0.291 nan 8.230 nan 0.000 0.432 210 L N -0.026 121.239 121.223 0.070 0.000 2.127 210 L HA -0.191 4.149 4.340 0.000 0.000 0.211 210 L C 2.506 179.397 176.870 0.035 0.000 1.089 210 L CA 1.669 56.544 54.840 0.059 0.000 0.757 210 L CB -0.525 41.562 42.059 0.046 0.000 0.899 210 L HN 0.085 nan 8.230 nan 0.000 0.434 211 R N -2.041 118.461 120.500 0.002 0.000 2.339 211 R HA -0.126 4.214 4.340 0.000 0.000 0.199 211 R C 0.815 176.951 176.300 -0.274 0.000 1.018 211 R CA 0.973 56.996 56.100 -0.128 0.000 1.036 211 R CB -0.251 29.962 30.300 -0.145 0.000 0.899 211 R HN 0.477 nan 8.270 nan 0.000 0.473 212 W N -0.876 120.407 121.300 -0.028 0.000 3.123 212 W HA 0.244 4.904 4.660 0.000 0.000 0.383 212 W C 1.215 177.725 176.519 -0.014 0.000 1.102 212 W CA 0.300 57.623 57.345 -0.037 0.000 1.865 212 W CB 1.020 30.413 29.460 -0.112 0.000 1.111 212 W HN 0.210 nan 8.180 nan 0.000 0.621 213 G N 0.602 109.493 108.800 0.152 0.000 2.267 213 G HA2 -0.326 3.634 3.960 0.000 0.000 0.257 213 G HA3 -0.326 3.634 3.960 0.000 0.000 0.257 213 G C 0.244 175.206 174.900 0.105 0.000 0.998 213 G CA 0.092 45.258 45.100 0.111 0.000 0.620 213 G HN 0.111 nan 8.290 nan 0.000 0.529 214 L N 2.116 123.417 121.223 0.130 0.000 2.367 214 L HA 0.472 4.812 4.340 0.000 0.000 0.275 214 L C 0.603 177.518 176.870 0.074 0.000 1.129 214 L CA -0.208 54.694 54.840 0.104 0.000 0.839 214 L CB 1.053 43.184 42.059 0.120 0.000 1.133 214 L HN 0.099 nan 8.230 nan 0.000 0.453 215 T N 1.379 115.968 114.554 0.059 0.000 2.907 215 T HA 0.588 4.938 4.350 0.000 0.000 0.284 215 T C 0.176 174.903 174.700 0.044 0.000 1.004 215 T CA -0.557 61.570 62.100 0.046 0.000 1.063 215 T CB 1.686 70.576 68.868 0.037 0.000 0.992 215 T HN 0.730 nan 8.240 nan 0.000 0.483 216 T N 0.640 115.218 114.554 0.040 0.000 2.864 216 T HA 0.710 5.060 4.350 0.000 0.000 0.289 216 T C -2.890 171.834 174.700 0.039 0.000 1.082 216 T CA -1.683 60.441 62.100 0.041 0.000 1.009 216 T CB 1.307 70.196 68.868 0.034 0.000 1.234 216 T HN 0.395 nan 8.240 nan 0.000 0.526 217 P HA 0.378 nan 4.420 nan 0.000 0.288 217 P C -0.677 176.647 177.300 0.040 0.000 1.267 217 P CA -0.428 62.698 63.100 0.043 0.000 0.815 217 P CB 0.722 32.453 31.700 0.053 0.000 0.989 224 E N 0.421 120.347 120.200 -0.457 0.000 2.249 224 E HA 0.372 4.722 4.350 0.000 0.000 0.263 224 E C -1.999 174.251 176.600 -0.584 0.000 0.950 224 E CA -2.075 54.100 56.400 -0.375 0.000 0.827 224 E CB 0.977 30.594 29.700 -0.138 0.000 1.220 224 E HN 0.170 nan 8.360 nan 0.000 0.411 225 P HA -0.215 nan 4.420 nan 0.000 0.233 225 P C -1.909 175.441 177.300 0.083 0.000 1.146 225 P CA 1.904 65.065 63.100 0.102 0.000 0.931 225 P CB -0.612 31.191 31.700 0.171 0.000 0.777 226 P HA 0.005 nan 4.420 nan 0.000 0.241 226 P C -0.254 177.019 177.300 -0.045 0.000 1.760 226 P CA 0.147 63.269 63.100 0.036 0.000 1.081 226 P CB -0.875 30.919 31.700 0.158 0.000 1.975 227 F N 1.400 121.404 119.950 0.091 0.000 2.490 227 F HA 0.004 4.531 4.527 0.000 0.000 0.336 227 F C 2.311 178.219 175.800 0.179 0.000 1.178 227 F CA -0.327 57.757 58.000 0.140 0.000 1.301 227 F CB 0.638 39.737 39.000 0.165 0.000 1.175 227 F HN 0.088 nan 8.300 nan 0.000 0.593 228 L N -0.455 121.055 121.223 0.478 0.000 2.240 228 L HA 0.103 4.443 4.340 0.000 0.000 0.211 228 L C 0.534 177.620 176.870 0.361 0.000 1.106 228 L CA -0.104 54.937 54.840 0.336 0.000 0.793 228 L CB -0.656 41.570 42.059 0.278 0.000 0.927 228 L HN 0.486 nan 8.230 nan 0.000 0.446 229 W N 3.048 124.492 121.300 0.240 0.000 2.580 229 W HA -0.095 4.565 4.660 -0.000 0.000 0.337 229 W C 0.604 177.241 176.519 0.196 0.000 1.088 229 W CA 0.229 57.683 57.345 0.183 0.000 1.189 229 W CB -0.152 29.399 29.460 0.152 0.000 1.131 229 W HN 0.181 nan 8.180 nan 0.000 0.563 230 M N 7.029 126.378 119.600 -0.417 0.000 3.030 230 M HA -0.243 4.237 4.480 0.000 0.000 0.203 230 M C 1.565 177.634 176.300 -0.384 0.000 1.343 230 M CA 1.717 56.709 55.300 -0.514 0.000 0.818 230 M CB -1.448 30.639 32.600 -0.855 0.000 1.304 230 M HN 0.910 nan 8.290 nan 0.000 0.672 231 G N 0.678 109.316 108.800 -0.271 0.000 2.168 231 G HA2 -0.299 3.661 3.960 0.000 0.000 0.263 231 G HA3 -0.299 3.661 3.960 0.000 0.000 0.263 231 G C -0.509 174.395 174.900 0.007 0.000 0.977 231 G CA 0.085 45.047 45.100 -0.230 0.000 0.659 231 G HN 0.674 nan 8.290 nan 0.000 0.533 232 Y N 0.430 120.922 120.300 0.321 0.000 2.328 232 Y HA 0.528 5.078 4.550 0.000 0.000 0.333 232 Y C 0.368 176.475 175.900 0.345 0.000 0.958 232 Y CA -1.397 56.946 58.100 0.405 0.000 1.167 232 Y CB 1.364 40.096 38.460 0.453 0.000 1.151 232 Y HN 0.233 nan 8.280 nan 0.000 0.470 233 E N 4.622 125.073 120.200 0.418 0.000 2.180 233 E HA 0.356 4.706 4.350 0.000 0.000 0.283 233 E C -1.286 175.395 176.600 0.134 0.000 1.061 233 E CA -0.234 56.299 56.400 0.222 0.000 0.861 233 E CB 0.502 30.305 29.700 0.172 0.000 1.056 233 E HN 0.638 nan 8.360 nan 0.000 0.407 234 L N 4.665 125.950 121.223 0.103 0.000 2.352 234 L HA 0.480 4.820 4.340 0.000 0.000 0.269 234 L C 0.117 176.873 176.870 -0.190 0.000 1.034 234 L CA -0.705 54.221 54.840 0.144 0.000 0.806 234 L CB 1.330 43.623 42.059 0.389 0.000 1.244 234 L HN 0.575 nan 8.230 nan 0.000 0.447 235 H N -0.017 119.262 119.070 0.348 0.000 2.966 235 H HA 0.264 4.821 4.556 0.000 0.000 0.330 235 H C -2.012 173.459 175.328 0.239 0.000 1.292 235 H CA -1.584 54.600 56.048 0.227 0.000 1.127 235 H CB 1.312 31.148 29.762 0.122 0.000 1.863 235 H HN 0.301 nan 8.280 nan 0.000 0.543 236 P HA -0.074 nan 4.420 nan 0.000 0.229 236 P C 0.003 177.424 177.300 0.202 0.000 1.150 236 P CA 1.522 64.746 63.100 0.207 0.000 0.765 236 P CB 0.434 32.206 31.700 0.120 0.000 0.783 237 D N -2.256 118.261 120.400 0.194 0.000 2.902 237 D HA 0.016 4.656 4.640 0.000 0.000 0.331 237 D C 0.065 176.290 176.300 -0.125 0.000 1.519 237 D CA -0.153 53.914 54.000 0.111 0.000 0.925 237 D CB -0.335 40.504 40.800 0.065 0.000 1.620 237 D HN 0.317 nan 8.370 nan 0.000 0.390 238 K N -0.691 119.621 120.400 -0.148 0.000 2.571 238 K HA 0.673 4.993 4.320 0.000 0.000 0.289 238 K C -1.360 175.221 176.600 -0.032 0.000 1.028 238 K CA -1.051 55.080 56.287 -0.259 0.000 0.895 238 K CB 1.966 34.414 32.500 -0.086 0.000 1.534 238 K HN 0.084 nan 8.250 nan 0.000 0.421 239 W N -0.230 121.043 121.300 -0.045 0.000 3.075 239 W HA 0.726 5.386 4.660 -0.000 0.000 0.334 239 W C -1.607 175.035 176.519 0.206 0.000 1.243 239 W CA -0.790 56.639 57.345 0.140 0.000 1.170 239 W CB 1.148 30.736 29.460 0.214 0.000 1.452 239 W HN 0.928 nan 8.180 nan 0.000 0.572 240 T N -0.318 114.444 114.554 0.348 0.000 2.658 240 T HA 0.483 4.833 4.350 0.000 0.000 0.305 240 T C -1.447 173.551 174.700 0.496 0.000 1.551 240 T CA -0.104 62.101 62.100 0.176 0.000 0.985 240 T CB 0.901 69.814 68.868 0.075 0.000 1.731 240 T HN 1.079 nan 8.240 nan 0.000 0.486 241 V N 1.754 121.892 119.914 0.373 0.000 2.539 241 V HA 0.673 4.793 4.120 0.000 0.000 0.292 241 V C 0.400 176.681 176.094 0.313 0.000 1.045 241 V CA -0.865 61.667 62.300 0.387 0.000 0.945 241 V CB 0.842 32.868 31.823 0.338 0.000 0.993 241 V HN 1.092 nan 8.190 nan 0.000 0.464 242 Q N 3.003 122.965 119.800 0.270 0.000 2.348 242 Q HA 0.175 4.515 4.340 0.000 0.000 0.331 242 Q C -2.308 173.783 176.000 0.151 0.000 1.099 242 Q CA -0.842 55.065 55.803 0.173 0.000 1.021 242 Q CB -0.955 27.837 28.738 0.089 0.000 1.166 242 Q HN 0.622 nan 8.270 nan 0.000 0.393 243 P HA -0.102 nan 4.420 nan 0.000 0.266 243 P C -0.690 176.645 177.300 0.058 0.000 1.180 243 P CA 0.553 63.712 63.100 0.098 0.000 0.765 243 P CB 0.312 32.062 31.700 0.085 0.000 0.806 244 I N -1.188 119.400 120.570 0.031 0.000 2.693 244 I HA 0.604 4.774 4.170 0.000 0.000 0.303 244 I C -0.729 175.385 176.117 -0.005 0.000 1.025 244 I CA -1.248 60.053 61.300 0.002 0.000 1.086 244 I CB 2.250 40.231 38.000 -0.033 0.000 1.268 244 I HN -0.107 nan 8.210 nan 0.000 0.440 245 V N 5.942 125.854 119.914 -0.004 0.000 2.380 245 V HA 0.309 4.429 4.120 0.000 0.000 0.272 245 V C -0.014 176.086 176.094 0.011 0.000 1.011 245 V CA -0.338 61.962 62.300 0.001 0.000 0.826 245 V CB 1.211 33.032 31.823 -0.003 0.000 1.040 245 V HN 0.541 nan 8.190 nan 0.000 0.441 246 L N 6.050 127.287 121.223 0.022 0.000 2.361 246 L HA 0.351 4.691 4.340 0.000 0.000 0.278 246 L C -1.875 175.047 176.870 0.087 0.000 1.113 246 L CA -1.428 53.450 54.840 0.063 0.000 0.849 246 L CB 0.779 42.873 42.059 0.058 0.000 1.155 246 L HN 0.367 nan 8.230 nan 0.000 0.452 247 P HA 0.034 nan 4.420 nan 0.000 0.266 247 P C -0.783 176.572 177.300 0.092 0.000 1.193 247 P CA 0.022 63.138 63.100 0.027 0.000 0.770 247 P CB 0.567 32.207 31.700 -0.099 0.000 0.836 248 E N 2.032 122.218 120.200 -0.022 0.000 2.191 248 E HA 0.385 4.735 4.350 0.000 0.000 0.263 248 E C -0.935 175.590 176.600 -0.124 0.000 0.881 248 E CA -0.659 55.763 56.400 0.036 0.000 0.757 248 E CB 0.705 30.422 29.700 0.029 0.000 1.147 248 E HN 0.238 nan 8.360 nan 0.000 0.414 249 K N 2.773 123.085 120.400 -0.148 0.000 2.536 249 K HA 0.313 4.633 4.320 0.000 0.000 0.269 249 K C -0.576 175.964 176.600 -0.099 0.000 0.965 249 K CA -0.869 55.216 56.287 -0.337 0.000 0.860 249 K CB 1.487 33.440 32.500 -0.911 0.000 1.423 249 K HN 0.288 nan 8.250 nan 0.000 0.438 250 D N 0.221 120.564 120.400 -0.095 0.000 2.240 250 D HA -0.031 4.609 4.640 0.000 0.000 0.206 250 D C 0.263 176.604 176.300 0.069 0.000 0.963 250 D CA 1.080 55.095 54.000 0.024 0.000 0.863 250 D CB 0.592 41.391 40.800 -0.001 0.000 0.973 250 D HN 0.283 nan 8.370 nan 0.000 0.501 251 S N -0.807 114.864 115.700 -0.047 0.000 2.513 251 S HA 0.509 4.979 4.470 0.000 0.000 0.299 251 S C -1.868 172.685 174.600 -0.078 0.000 1.087 251 S CA -0.715 57.501 58.200 0.028 0.000 1.012 251 S CB 0.894 64.089 63.200 -0.008 0.000 1.044 251 S HN 0.024 nan 8.310 nan 0.000 0.485 252 W N 1.773 123.067 121.300 -0.010 0.000 2.883 252 W HA 0.486 5.146 4.660 0.000 0.000 0.335 252 W C 0.175 176.688 176.519 -0.010 0.000 1.083 252 W CA -0.525 56.814 57.345 -0.011 0.000 1.233 252 W CB 1.684 31.138 29.460 -0.011 0.000 1.412 252 W HN 0.750 nan 8.180 nan 0.000 0.490 253 T N -2.118 112.563 114.554 0.210 0.000 2.948 253 T HA 0.390 4.740 4.350 0.000 0.000 0.285 253 T C 0.769 175.548 174.700 0.132 0.000 1.019 253 T CA -0.751 61.423 62.100 0.124 0.000 1.013 253 T CB 1.226 70.129 68.868 0.058 0.000 1.117 253 T HN 0.187 nan 8.240 nan 0.000 0.533 254 V N 1.389 121.351 119.914 0.079 0.000 2.287 254 V HA -0.194 3.926 4.120 0.000 0.000 0.248 254 V C 2.760 178.894 176.094 0.065 0.000 1.053 254 V CA 2.460 64.796 62.300 0.061 0.000 1.027 254 V CB -1.334 30.509 31.823 0.035 0.000 0.646 254 V HN 1.012 nan 8.190 nan 0.000 0.447 255 N N -0.018 118.715 118.700 0.054 0.000 2.443 255 N HA -0.167 4.573 4.740 0.000 0.000 0.184 255 N C 1.335 176.885 175.510 0.067 0.000 1.037 255 N CA 1.342 54.418 53.050 0.043 0.000 0.896 255 N CB -0.112 38.387 38.487 0.020 0.000 0.959 255 N HN 0.498 nan 8.380 nan 0.000 0.442 256 D N -0.407 120.066 120.400 0.122 0.000 2.259 256 D HA 0.070 4.710 4.640 0.000 0.000 0.216 256 D C 1.808 178.291 176.300 0.306 0.000 0.961 256 D CA 0.517 54.636 54.000 0.198 0.000 0.878 256 D CB -0.002 40.935 40.800 0.227 0.000 1.009 256 D HN 0.366 nan 8.370 nan 0.000 0.490 257 I N 1.076 121.802 120.570 0.259 0.000 2.493 257 I HA -0.209 3.961 4.170 0.000 0.000 0.254 257 I C 2.258 178.414 176.117 0.066 0.000 1.160 257 I CA 0.840 62.212 61.300 0.120 0.000 1.445 257 I CB -0.177 37.837 38.000 0.024 0.000 1.086 257 I HN -0.042 nan 8.210 nan 0.000 0.433 258 Q N 0.960 120.802 119.800 0.069 0.000 2.049 258 Q HA -0.148 4.192 4.340 0.000 0.000 0.198 258 Q C 2.102 178.127 176.000 0.041 0.000 0.971 258 Q CA 1.128 56.955 55.803 0.040 0.000 0.833 258 Q CB -0.068 28.687 28.738 0.029 0.000 0.896 258 Q HN 0.452 nan 8.270 nan 0.000 0.434 259 K N 0.377 120.810 120.400 0.056 0.000 2.283 259 K HA -0.117 4.203 4.320 0.000 0.000 0.202 259 K C 1.971 178.608 176.600 0.061 0.000 1.048 259 K CA 0.476 56.789 56.287 0.042 0.000 0.948 259 K CB 0.016 32.537 32.500 0.036 0.000 0.742 259 K HN 0.062 nan 8.250 nan 0.000 0.458 260 L N 0.490 121.772 121.223 0.098 0.000 2.023 260 L HA -0.121 4.219 4.340 0.000 0.000 0.205 260 L C 1.969 178.862 176.870 0.039 0.000 1.073 260 L CA 1.398 56.294 54.840 0.092 0.000 0.745 260 L CB -0.356 41.766 42.059 0.105 0.000 0.900 260 L HN -0.162 nan 8.230 nan 0.000 0.435 261 V N 0.406 120.333 119.914 0.022 0.000 2.332 261 V HA -0.245 3.875 4.120 0.000 0.000 0.248 261 V C 2.622 178.738 176.094 0.037 0.000 1.055 261 V CA 1.853 64.161 62.300 0.014 0.000 1.038 261 V CB -1.794 30.032 31.823 0.005 0.000 0.651 261 V HN 0.648 nan 8.190 nan 0.000 0.450 262 G N -0.362 108.462 108.800 0.040 0.000 2.459 262 G HA2 -0.280 3.680 3.960 0.000 0.000 0.217 262 G HA3 -0.280 3.680 3.960 0.000 0.000 0.217 262 G C 1.663 176.613 174.900 0.084 0.000 1.183 262 G CA 1.031 46.163 45.100 0.053 0.000 0.776 262 G HN 0.457 nan 8.290 nan 0.000 0.552 263 K N -0.230 120.205 120.400 0.058 0.000 2.063 263 K HA 0.025 4.345 4.320 0.000 0.000 0.208 263 K C 2.579 179.237 176.600 0.097 0.000 1.048 263 K CA 0.899 57.230 56.287 0.073 0.000 0.928 263 K CB -0.316 32.204 32.500 0.034 0.000 0.713 263 K HN 0.272 nan 8.250 nan 0.000 0.442 264 L N 1.084 122.339 121.223 0.054 0.000 2.093 264 L HA -0.204 4.136 4.340 0.000 0.000 0.208 264 L C 2.095 178.998 176.870 0.055 0.000 1.085 264 L CA 0.876 55.732 54.840 0.026 0.000 0.755 264 L CB -0.418 41.643 42.059 0.003 0.000 0.904 264 L HN 0.245 nan 8.230 nan 0.000 0.435 265 N N -0.396 118.357 118.700 0.089 0.000 2.058 265 N HA -0.263 4.477 4.740 0.000 0.000 0.191 265 N C 1.562 177.155 175.510 0.138 0.000 1.037 265 N CA 1.329 54.441 53.050 0.104 0.000 0.848 265 N CB -0.484 38.071 38.487 0.115 0.000 1.021 265 N HN 0.468 nan 8.380 nan 0.000 0.422 266 W N 2.185 123.490 121.300 0.009 0.000 2.321 266 W HA -0.229 4.431 4.660 0.000 0.000 0.285 266 W C 1.801 178.352 176.519 0.053 0.000 1.213 266 W CA 1.730 59.081 57.345 0.010 0.000 1.205 266 W CB -0.067 29.364 29.460 -0.049 0.000 1.134 266 W HN 0.052 nan 8.180 nan 0.000 0.549 267 A N 0.166 123.018 122.820 0.054 0.000 1.929 267 A HA -0.148 4.172 4.320 0.000 0.000 0.216 267 A C 2.053 179.689 177.584 0.087 0.000 1.176 267 A CA 1.745 53.784 52.037 0.004 0.000 0.628 267 A CB -1.059 17.850 19.000 -0.152 0.000 0.816 267 A HN 0.238 nan 8.150 nan 0.000 0.444 268 S N 0.924 116.654 115.700 0.050 0.000 2.393 268 S HA -0.336 4.134 4.470 0.000 0.000 0.234 268 S C 1.892 176.526 174.600 0.057 0.000 1.064 268 S CA 1.891 60.123 58.200 0.054 0.000 1.088 268 S CB -0.707 62.515 63.200 0.037 0.000 0.939 268 S HN 0.901 nan 8.310 nan 0.000 0.448 269 Q N 0.124 119.957 119.800 0.057 0.000 2.594 269 Q HA 0.093 4.433 4.340 0.000 0.000 0.219 269 Q C 1.216 177.375 176.000 0.265 0.000 0.980 269 Q CA 0.926 56.828 55.803 0.164 0.000 0.962 269 Q CB -0.189 28.675 28.738 0.209 0.000 0.987 269 Q HN 0.600 nan 8.270 nan 0.000 0.553 270 I N -2.411 118.246 120.570 0.145 0.000 5.409 270 I HA 0.154 4.324 4.170 0.000 0.000 0.367 270 I C -1.043 174.999 176.117 -0.124 0.000 1.127 270 I CA -0.296 61.002 61.300 -0.004 0.000 1.619 270 I CB 0.938 38.855 38.000 -0.137 0.000 2.019 270 I HN 0.062 nan 8.210 nan 0.000 0.684 271 Y N 4.146 124.411 120.300 -0.058 0.000 2.454 271 Y HA 0.520 5.070 4.550 0.000 0.000 0.345 271 Y C -2.159 173.715 175.900 -0.044 0.000 0.970 271 Y CA -2.407 55.660 58.100 -0.055 0.000 1.204 271 Y CB 0.337 38.772 38.460 -0.042 0.000 1.122 271 Y HN 0.025 nan 8.280 nan 0.000 0.514 272 P HA 0.082 nan 4.420 nan 0.000 0.268 272 P C 0.839 178.167 177.300 0.048 0.000 1.205 272 P CA 1.020 64.134 63.100 0.023 0.000 0.771 272 P CB 0.840 32.544 31.700 0.006 0.000 0.858 273 G N 2.213 111.032 108.800 0.031 0.000 2.205 273 G HA2 -0.226 3.734 3.960 0.000 0.000 0.261 273 G HA3 -0.226 3.734 3.960 0.000 0.000 0.261 273 G C 0.314 175.232 174.900 0.029 0.000 0.980 273 G CA -0.473 44.645 45.100 0.030 0.000 0.632 273 G HN 0.474 nan 8.290 nan 0.000 0.533 274 I N 1.192 121.785 120.570 0.040 0.000 2.845 274 I HA 0.154 4.324 4.170 0.000 0.000 0.296 274 I C 0.889 177.016 176.117 0.016 0.000 1.216 274 I CA 1.081 62.397 61.300 0.026 0.000 1.438 274 I CB 0.271 38.289 38.000 0.031 0.000 1.342 274 I HN 0.223 nan 8.210 nan 0.000 0.577 275 K N 4.366 124.768 120.400 0.002 0.000 2.400 275 K HA 0.676 4.996 4.320 0.000 0.000 0.246 275 K C -0.171 176.420 176.600 -0.014 0.000 0.995 275 K CA -0.693 55.591 56.287 -0.004 0.000 0.840 275 K CB 2.773 35.265 32.500 -0.014 0.000 1.293 275 K HN 0.271 nan 8.250 nan 0.000 0.445 276 V N 0.649 120.553 119.914 -0.018 0.000 3.623 276 V HA 0.015 4.135 4.120 0.000 0.000 0.283 276 V C 1.534 177.608 176.094 -0.035 0.000 1.643 276 V CA -0.158 62.126 62.300 -0.027 0.000 1.121 276 V CB 0.426 32.241 31.823 -0.013 0.000 0.933 276 V HN 0.755 nan 8.190 nan 0.000 0.420 277 R N 1.081 121.563 120.500 -0.031 0.000 2.136 277 R HA -0.275 4.065 4.340 0.000 0.000 0.242 277 R C 2.075 178.349 176.300 -0.043 0.000 1.131 277 R CA 2.626 58.705 56.100 -0.034 0.000 0.937 277 R CB 0.037 30.318 30.300 -0.032 0.000 0.863 277 R HN 0.492 nan 8.270 nan 0.000 0.435 278 Q N 0.234 120.003 119.800 -0.051 0.000 2.096 278 Q HA -0.079 4.261 4.340 0.000 0.000 0.197 278 Q C 2.402 178.354 176.000 -0.079 0.000 0.964 278 Q CA 1.116 56.881 55.803 -0.062 0.000 0.838 278 Q CB -0.239 28.460 28.738 -0.066 0.000 0.906 278 Q HN 0.440 nan 8.270 nan 0.000 0.444 279 L N 0.123 121.290 121.223 -0.093 0.000 2.191 279 L HA -0.147 4.193 4.340 0.000 0.000 0.212 279 L C 2.522 179.337 176.870 -0.091 0.000 1.103 279 L CA 0.908 55.675 54.840 -0.123 0.000 0.769 279 L CB -0.292 41.688 42.059 -0.132 0.000 0.908 279 L HN 0.322 nan 8.230 nan 0.000 0.438 280 C N -0.850 118.414 119.300 -0.061 0.000 2.912 280 C HA 0.040 4.500 4.460 0.000 0.000 0.274 280 C C 2.590 177.558 174.990 -0.036 0.000 1.248 280 C CA -0.403 58.590 59.018 -0.041 0.000 1.694 280 C CB -0.454 27.269 27.740 -0.028 0.000 2.024 280 C HN 0.423 nan 8.230 nan 0.000 0.605 281 K N 0.629 121.004 120.400 -0.043 0.000 2.288 281 K HA 0.046 4.366 4.320 0.000 0.000 0.201 281 K C 1.764 178.342 176.600 -0.035 0.000 1.048 281 K CA 0.949 57.215 56.287 -0.036 0.000 0.956 281 K CB -0.086 32.391 32.500 -0.038 0.000 0.746 281 K HN 0.597 nan 8.250 nan 0.000 0.461 282 L N 0.730 121.925 121.223 -0.046 0.000 2.093 282 L HA -0.137 4.203 4.340 0.000 0.000 0.208 282 L C 2.004 178.858 176.870 -0.026 0.000 1.085 282 L CA 0.895 55.709 54.840 -0.043 0.000 0.755 282 L CB -0.422 41.597 42.059 -0.066 0.000 0.904 282 L HN 0.179 nan 8.230 nan 0.000 0.435 283 L N -0.495 120.714 121.223 -0.022 0.000 2.622 283 L HA -0.062 4.278 4.340 0.000 0.000 0.233 283 L C 2.525 179.390 176.870 -0.008 0.000 1.156 283 L CA 0.230 55.063 54.840 -0.010 0.000 0.866 283 L CB -0.563 41.492 42.059 -0.007 0.000 0.980 283 L HN 0.254 nan 8.230 nan 0.000 0.448 284 R N 0.606 121.099 120.500 -0.012 0.000 2.159 284 R HA -0.171 4.169 4.340 0.000 0.000 0.252 284 R C 1.446 177.743 176.300 -0.006 0.000 1.144 284 R CA 1.280 57.374 56.100 -0.010 0.000 0.961 284 R CB -0.739 29.554 30.300 -0.012 0.000 0.877 284 R HN 0.470 nan 8.270 nan 0.000 0.444 285 G N -0.271 108.526 108.800 -0.005 0.000 2.712 285 G HA2 -0.003 3.957 3.960 0.000 0.000 0.258 285 G HA3 -0.003 3.957 3.960 0.000 0.000 0.258 285 G C -0.370 174.530 174.900 0.000 0.000 1.241 285 G CA -0.509 44.590 45.100 -0.002 0.000 0.923 285 G HN 0.110 nan 8.290 nan 0.000 0.548 286 T N 0.147 114.702 114.554 0.002 0.000 2.946 286 T HA 0.056 4.406 4.350 0.000 0.000 0.311 286 T C 0.879 175.581 174.700 0.004 0.000 1.063 286 T CA 0.382 62.483 62.100 0.003 0.000 1.139 286 T CB 0.468 69.338 68.868 0.003 0.000 0.994 286 T HN 0.441 nan 8.240 nan 0.000 0.547 287 K N 2.376 122.778 120.400 0.004 0.000 2.237 287 K HA 0.352 4.672 4.320 0.000 0.000 0.283 287 K C -0.457 176.146 176.600 0.005 0.000 1.080 287 K CA -0.323 55.967 56.287 0.005 0.000 0.965 287 K CB -0.298 32.204 32.500 0.004 0.000 1.098 287 K HN 0.626 nan 8.250 nan 0.000 0.434 288 A N 6.897 129.721 122.820 0.007 0.000 2.978 288 A HA 0.280 4.600 4.320 0.000 0.000 0.341 288 A C -0.046 177.544 177.584 0.010 0.000 1.105 288 A CA -0.786 51.256 52.037 0.007 0.000 0.819 288 A CB 0.142 19.147 19.000 0.007 0.000 1.080 288 A HN 0.753 nan 8.150 nan 0.000 0.476 289 L N 0.937 122.165 121.223 0.009 0.000 2.557 289 L HA -0.058 4.282 4.340 0.000 0.000 0.308 289 L C 1.802 178.679 176.870 0.012 0.000 1.283 289 L CA 1.365 56.212 54.840 0.011 0.000 0.847 289 L CB -0.241 41.822 42.059 0.005 0.000 1.088 289 L HN 1.144 nan 8.230 nan 0.000 0.537 290 T N -2.050 112.514 114.554 0.016 0.000 4.242 290 T HA -0.300 4.050 4.350 0.000 0.000 0.327 290 T C 0.199 174.911 174.700 0.019 0.000 0.837 290 T CA 1.403 63.513 62.100 0.015 0.000 1.949 290 T CB -1.747 67.123 68.868 0.003 0.000 1.943 290 T HN 0.832 nan 8.240 nan 0.000 0.863 291 E N 1.004 121.219 120.200 0.025 0.000 2.052 291 E HA 0.419 4.769 4.350 0.000 0.000 0.283 291 E C 0.135 176.759 176.600 0.039 0.000 1.071 291 E CA -0.686 55.729 56.400 0.025 0.000 0.851 291 E CB 0.874 30.586 29.700 0.021 0.000 1.066 291 E HN 0.453 nan 8.360 nan 0.000 0.396 292 V N 7.093 127.030 119.914 0.039 0.000 2.475 292 V HA -0.049 4.071 4.120 0.000 0.000 0.292 292 V C 0.524 176.654 176.094 0.060 0.000 1.003 292 V CA 0.836 63.171 62.300 0.058 0.000 1.120 292 V CB -0.244 31.607 31.823 0.046 0.000 0.937 292 V HN 0.602 nan 8.190 nan 0.000 0.476 293 I N 8.363 128.982 120.570 0.081 0.000 2.378 293 I HA 0.383 4.553 4.170 0.000 0.000 0.291 293 I C -1.869 174.285 176.117 0.061 0.000 0.992 293 I CA -2.029 59.304 61.300 0.055 0.000 1.154 293 I CB 2.275 40.297 38.000 0.038 0.000 1.315 293 I HN 0.465 nan 8.210 nan 0.000 0.448 294 P HA 0.128 nan 4.420 nan 0.000 0.269 294 P C -0.099 177.196 177.300 -0.008 0.000 1.209 294 P CA -0.086 63.033 63.100 0.031 0.000 0.776 294 P CB 1.056 32.767 31.700 0.019 0.000 0.876 295 L N 1.572 122.782 121.223 -0.022 0.000 2.491 295 L HA 0.321 4.661 4.340 0.000 0.000 0.164 295 L C 1.121 177.948 176.870 -0.071 0.000 0.979 295 L CA 0.306 55.090 54.840 -0.094 0.000 1.124 295 L CB -0.570 41.426 42.059 -0.104 0.000 1.685 295 L HN 0.444 nan 8.230 nan 0.000 0.467 296 T N -2.367 112.139 114.554 -0.081 0.000 2.893 296 T HA 0.094 4.444 4.350 0.000 0.000 0.337 296 T C 0.189 174.855 174.700 -0.057 0.000 1.587 296 T CA -0.687 61.377 62.100 -0.059 0.000 1.066 296 T CB 1.740 70.571 68.868 -0.063 0.000 1.414 296 T HN 0.491 nan 8.240 nan 0.000 0.488 297 E N 0.689 120.864 120.200 -0.041 0.000 2.051 297 E HA -0.185 4.165 4.350 0.000 0.000 0.192 297 E C 1.348 177.922 176.600 -0.043 0.000 0.991 297 E CA 1.465 57.844 56.400 -0.035 0.000 0.799 297 E CB 0.109 29.794 29.700 -0.026 0.000 0.748 297 E HN 0.515 nan 8.360 nan 0.000 0.449 298 E N 0.865 121.038 120.200 -0.046 0.000 2.017 298 E HA -0.148 4.202 4.350 0.000 0.000 0.193 298 E C 1.965 178.527 176.600 -0.064 0.000 0.997 298 E CA 1.260 57.630 56.400 -0.049 0.000 0.804 298 E CB -0.426 29.246 29.700 -0.046 0.000 0.757 298 E HN 0.277 nan 8.360 nan 0.000 0.448 299 A N 1.384 124.156 122.820 -0.081 0.000 1.948 299 A HA -0.313 4.007 4.320 0.000 0.000 0.220 299 A C 2.102 179.609 177.584 -0.129 0.000 1.177 299 A CA 2.175 54.143 52.037 -0.116 0.000 0.636 299 A CB -0.772 18.141 19.000 -0.145 0.000 0.815 299 A HN 0.479 nan 8.150 nan 0.000 0.449 300 E N -0.489 119.648 120.200 -0.106 0.000 2.072 300 E HA -0.135 4.215 4.350 0.000 0.000 0.190 300 E C 1.882 178.445 176.600 -0.061 0.000 0.982 300 E CA 1.189 57.535 56.400 -0.090 0.000 0.803 300 E CB -0.517 29.148 29.700 -0.059 0.000 0.755 300 E HN 0.443 nan 8.360 nan 0.000 0.453 301 L N 1.716 122.909 121.223 -0.050 0.000 2.083 301 L HA -0.121 4.219 4.340 0.000 0.000 0.209 301 L C 2.318 179.164 176.870 -0.040 0.000 1.083 301 L CA 2.160 56.978 54.840 -0.037 0.000 0.752 301 L CB -0.488 41.551 42.059 -0.032 0.000 0.899 301 L HN 0.288 nan 8.230 nan 0.000 0.433 302 E N -0.581 119.587 120.200 -0.053 0.000 2.015 302 E HA -0.263 4.087 4.350 0.000 0.000 0.191 302 E C 2.201 178.768 176.600 -0.055 0.000 0.991 302 E CA 1.403 57.771 56.400 -0.053 0.000 0.802 302 E CB -0.367 29.294 29.700 -0.064 0.000 0.759 302 E HN 0.404 nan 8.360 nan 0.000 0.447 303 L N 0.980 122.156 121.223 -0.079 0.000 2.137 303 L HA -0.209 4.131 4.340 0.000 0.000 0.213 303 L C 2.154 179.001 176.870 -0.037 0.000 1.085 303 L CA 2.184 56.978 54.840 -0.076 0.000 0.760 303 L CB -0.698 41.289 42.059 -0.120 0.000 0.893 303 L HN 0.288 nan 8.230 nan 0.000 0.434 304 A N -0.951 121.851 122.820 -0.030 0.000 1.855 304 A HA -0.148 4.172 4.320 0.000 0.000 0.215 304 A C 2.049 179.627 177.584 -0.010 0.000 1.191 304 A CA 1.431 53.461 52.037 -0.013 0.000 0.613 304 A CB -0.571 18.422 19.000 -0.011 0.000 0.829 304 A HN 0.505 nan 8.150 nan 0.000 0.442 305 E N 0.755 120.946 120.200 -0.015 0.000 2.171 305 E HA -0.202 4.148 4.350 0.000 0.000 0.197 305 E C 1.564 178.162 176.600 -0.005 0.000 0.997 305 E CA 1.223 57.618 56.400 -0.009 0.000 0.810 305 E CB -0.518 29.174 29.700 -0.013 0.000 0.738 305 E HN 0.593 nan 8.360 nan 0.000 0.467 306 N N 0.864 119.555 118.700 -0.014 0.000 2.171 306 N HA -0.058 4.682 4.740 0.000 0.000 0.184 306 N C 1.860 177.360 175.510 -0.017 0.000 1.021 306 N CA 0.587 53.627 53.050 -0.017 0.000 0.854 306 N CB -0.211 38.256 38.487 -0.032 0.000 0.994 306 N HN 0.201 nan 8.380 nan 0.000 0.426 307 R N 0.833 121.326 120.500 -0.012 0.000 2.091 307 R HA -0.133 4.207 4.340 0.000 0.000 0.238 307 R C 1.816 178.120 176.300 0.007 0.000 1.136 307 R CA 1.119 57.216 56.100 -0.005 0.000 0.959 307 R CB -0.168 30.136 30.300 0.006 0.000 0.856 307 R HN 0.175 nan 8.270 nan 0.000 0.437 308 E N 0.906 121.113 120.200 0.011 0.000 2.204 308 E HA -0.080 4.270 4.350 0.000 0.000 0.194 308 E C 1.673 178.294 176.600 0.035 0.000 0.989 308 E CA 0.916 57.328 56.400 0.020 0.000 0.824 308 E CB -0.001 29.707 29.700 0.014 0.000 0.756 308 E HN 0.314 nan 8.360 nan 0.000 0.477 309 I N -0.514 120.082 120.570 0.042 0.000 2.277 309 I HA -0.187 3.983 4.170 0.000 0.000 0.243 309 I C 1.495 177.700 176.117 0.146 0.000 1.094 309 I CA 0.378 61.732 61.300 0.089 0.000 1.393 309 I CB -0.160 37.898 38.000 0.097 0.000 1.078 309 I HN 0.113 nan 8.210 nan 0.000 0.417 310 L N 0.831 122.086 121.223 0.054 0.000 2.353 310 L HA -0.154 4.186 4.340 0.000 0.000 0.220 310 L C 2.235 179.155 176.870 0.084 0.000 1.133 310 L CA 1.376 56.214 54.840 -0.004 0.000 0.798 310 L CB -1.111 40.850 42.059 -0.164 0.000 0.922 310 L HN 0.119 nan 8.230 nan 0.000 0.445 311 K N 0.805 121.245 120.400 0.067 0.000 1.986 311 K HA -0.203 4.117 4.320 0.000 0.000 0.230 311 K C 0.865 177.511 176.600 0.076 0.000 1.048 311 K CA 1.752 58.073 56.287 0.057 0.000 1.008 311 K CB -0.735 31.792 32.500 0.044 0.000 0.737 311 K HN 0.613 nan 8.250 nan 0.000 0.447 312 E N 2.381 122.629 120.200 0.080 0.000 2.369 312 E HA 0.198 4.548 4.350 0.000 0.000 0.255 312 E C -2.304 174.347 176.600 0.084 0.000 1.172 312 E CA -1.751 54.687 56.400 0.063 0.000 0.932 312 E CB 0.230 29.948 29.700 0.030 0.000 1.040 312 E HN 0.098 nan 8.360 nan 0.000 0.454 313 P HA 0.192 nan 4.420 nan 0.000 0.286 313 P C -0.813 176.187 177.300 -0.499 0.000 1.261 313 P CA -0.589 62.453 63.100 -0.097 0.000 0.821 313 P CB 1.444 33.136 31.700 -0.013 0.000 1.013 314 V N 3.815 123.251 119.914 -0.797 0.000 2.495 314 V HA 0.364 4.484 4.120 0.000 0.000 0.298 314 V C 0.154 175.650 176.094 -0.996 0.000 1.031 314 V CA -0.553 61.151 62.300 -0.994 0.000 0.871 314 V CB 1.303 32.343 31.823 -1.304 0.000 0.988 314 V HN 0.631 nan 8.190 nan 0.000 0.432 315 H N 2.318 121.188 119.070 -0.334 0.000 2.621 315 H HA 0.722 5.278 4.556 0.000 0.000 0.360 315 H C 0.108 175.140 175.328 -0.493 0.000 1.163 315 H CA -0.514 55.327 56.048 -0.345 0.000 1.194 315 H CB 2.528 32.166 29.762 -0.207 0.000 1.649 315 H HN 0.816 nan 8.280 nan 0.000 0.532 316 G N 0.548 108.934 108.800 -0.689 0.000 2.448 316 G HA2 0.434 4.394 3.960 0.000 0.000 0.324 316 G HA3 0.434 4.394 3.960 0.000 0.000 0.324 316 G C -0.730 173.857 174.900 -0.521 0.000 1.203 316 G CA -0.465 44.105 45.100 -0.884 0.000 0.954 316 G HN 0.453 nan 8.290 nan 0.000 0.480 317 V N 1.398 121.252 119.914 -0.100 0.000 2.997 317 V HA 0.671 4.791 4.120 0.000 0.000 0.311 317 V C -0.461 175.808 176.094 0.292 0.000 1.066 317 V CA -0.742 61.564 62.300 0.009 0.000 1.039 317 V CB 1.228 33.087 31.823 0.060 0.000 1.081 317 V HN 0.589 nan 8.190 nan 0.000 0.467 318 Y N 2.130 122.651 120.300 0.369 0.000 2.453 318 Y HA 0.403 4.953 4.550 0.000 0.000 0.344 318 Y C -0.167 175.944 175.900 0.351 0.000 1.323 318 Y CA -0.777 57.552 58.100 0.383 0.000 1.526 318 Y CB 0.179 38.818 38.460 0.299 0.000 1.603 318 Y HN 0.634 nan 8.280 nan 0.000 0.563 319 Y N 1.174 121.724 120.300 0.416 0.000 2.313 319 Y HA 0.272 4.822 4.550 -0.000 0.000 0.332 319 Y C -0.530 175.471 175.900 0.167 0.000 1.071 319 Y CA -1.044 57.213 58.100 0.262 0.000 1.169 319 Y CB 0.657 39.308 38.460 0.318 0.000 1.192 319 Y HN 0.436 nan 8.280 nan 0.000 0.487 320 D N 8.633 128.685 120.400 -0.579 0.000 2.432 320 D HA 0.230 4.870 4.640 0.000 0.000 0.265 320 D C -2.086 173.711 176.300 -0.838 0.000 1.160 320 D CA -1.851 51.833 54.000 -0.527 0.000 0.911 320 D CB 1.471 42.141 40.800 -0.217 0.000 1.052 320 D HN 0.401 nan 8.370 nan 0.000 0.508 321 P HA -0.099 nan 4.420 nan 0.000 0.231 321 P C 0.798 177.964 177.300 -0.223 0.000 1.154 321 P CA 0.571 63.352 63.100 -0.532 0.000 0.762 321 P CB 0.491 32.114 31.700 -0.129 0.000 0.790 322 S N -0.968 114.596 115.700 -0.226 0.000 2.441 322 S HA 0.045 4.515 4.470 0.000 0.000 0.224 322 S C 1.044 175.583 174.600 -0.103 0.000 1.043 322 S CA 0.529 58.657 58.200 -0.120 0.000 0.948 322 S CB 0.011 63.154 63.200 -0.096 0.000 0.810 322 S HN 0.321 nan 8.310 nan 0.000 0.504 323 K N 1.216 121.535 120.400 -0.135 0.000 2.240 323 K HA 0.346 4.666 4.320 0.000 0.000 0.237 323 K C -0.503 176.038 176.600 -0.099 0.000 1.027 323 K CA -0.791 55.437 56.287 -0.098 0.000 0.937 323 K CB 0.361 32.808 32.500 -0.088 0.000 1.171 323 K HN -0.021 nan 8.250 nan 0.000 0.479 324 D N 0.206 120.553 120.400 -0.088 0.000 2.414 324 D HA 0.200 4.840 4.640 0.000 0.000 0.251 324 D C -0.850 175.352 176.300 -0.162 0.000 1.252 324 D CA -0.120 53.817 54.000 -0.105 0.000 0.999 324 D CB 0.765 41.505 40.800 -0.100 0.000 1.093 324 D HN 0.006 nan 8.370 nan 0.000 0.515 325 L N 1.620 122.710 121.223 -0.222 0.000 2.343 325 L HA 0.343 4.683 4.340 0.000 0.000 0.278 325 L C -1.110 175.497 176.870 -0.439 0.000 0.996 325 L CA -0.437 54.186 54.840 -0.362 0.000 0.831 325 L CB 1.173 42.989 42.059 -0.404 0.000 1.232 325 L HN 0.174 nan 8.230 nan 0.000 0.413 326 I N 3.676 123.895 120.570 -0.584 0.000 2.530 326 I HA 0.779 4.949 4.170 0.000 0.000 0.297 326 I C -0.098 175.487 176.117 -0.888 0.000 1.011 326 I CA -0.696 60.172 61.300 -0.721 0.000 1.107 326 I CB 1.759 39.281 38.000 -0.797 0.000 1.285 326 I HN 0.681 nan 8.210 nan 0.000 0.436 327 A N 4.950 127.337 122.820 -0.722 0.000 2.393 327 A HA 0.739 5.059 4.320 0.000 0.000 0.306 327 A C -0.811 176.628 177.584 -0.240 0.000 1.050 327 A CA -0.551 51.181 52.037 -0.510 0.000 0.724 327 A CB 2.134 20.758 19.000 -0.628 0.000 1.248 327 A HN 0.753 nan 8.150 nan 0.000 0.424 328 E N 1.655 121.846 120.200 -0.015 0.000 2.293 328 E HA 0.663 5.013 4.350 0.000 0.000 0.270 328 E C -1.549 175.178 176.600 0.211 0.000 0.879 328 E CA -0.511 55.959 56.400 0.116 0.000 0.756 328 E CB 1.636 31.431 29.700 0.159 0.000 1.208 328 E HN 0.630 nan 8.360 nan 0.000 0.428 329 I N 2.866 123.569 120.570 0.221 0.000 2.474 329 I HA 0.291 4.461 4.170 0.000 0.000 0.294 329 I C -0.829 175.464 176.117 0.293 0.000 1.005 329 I CA -0.861 60.615 61.300 0.292 0.000 1.113 329 I CB 1.967 40.122 38.000 0.257 0.000 1.289 329 I HN 0.387 nan 8.210 nan 0.000 0.436 330 Q N 4.753 124.736 119.800 0.304 0.000 2.330 330 Q HA 0.352 4.692 4.340 0.000 0.000 0.269 330 Q C -0.707 175.364 176.000 0.119 0.000 1.022 330 Q CA -0.719 55.200 55.803 0.193 0.000 0.796 330 Q CB 2.499 31.305 28.738 0.115 0.000 1.271 330 Q HN 0.365 nan 8.270 nan 0.000 0.450 331 K N 2.345 122.658 120.400 -0.146 0.000 2.297 331 K HA 0.177 4.497 4.320 0.000 0.000 0.286 331 K C -0.252 176.103 176.600 -0.408 0.000 1.053 331 K CA 0.201 56.027 56.287 -0.769 0.000 0.940 331 K CB 0.718 32.528 32.500 -1.150 0.000 1.019 331 K HN 0.664 nan 8.250 nan 0.000 0.475 332 Q N 2.187 121.758 119.800 -0.381 0.000 2.961 332 Q HA 0.232 4.572 4.340 0.000 0.000 0.300 332 Q C 0.827 176.703 176.000 -0.207 0.000 1.143 332 Q CA -0.222 55.462 55.803 -0.198 0.000 0.398 332 Q CB -0.091 28.581 28.738 -0.109 0.000 5.422 332 Q HN 0.817 nan 8.270 nan 0.000 0.333 333 G N 0.364 109.071 108.800 -0.155 0.000 2.611 333 G HA2 0.066 4.026 3.960 0.000 0.000 0.273 333 G HA3 0.066 4.026 3.960 0.000 0.000 0.273 333 G C -0.699 174.108 174.900 -0.155 0.000 1.305 333 G CA -0.383 44.644 45.100 -0.121 0.000 1.010 333 G HN 0.256 nan 8.290 nan 0.000 0.509 334 Q N -0.112 119.632 119.800 -0.093 0.000 2.307 334 Q HA 0.406 4.746 4.340 0.000 0.000 0.261 334 Q C 0.931 176.913 176.000 -0.030 0.000 1.051 334 Q CA 0.694 56.460 55.803 -0.063 0.000 0.911 334 Q CB 0.980 29.703 28.738 -0.025 0.000 1.227 334 Q HN 1.067 nan 8.270 nan 0.000 0.418 335 G N 2.740 111.541 108.800 0.000 0.000 2.179 335 G HA2 -0.236 3.724 3.960 0.000 0.000 0.220 335 G HA3 -0.236 3.724 3.960 0.000 0.000 0.220 335 G C -0.000 174.964 174.900 0.108 0.000 0.990 335 G CA -0.391 44.762 45.100 0.089 0.000 0.646 335 G HN 0.528 nan 8.290 nan 0.000 0.517 336 Q N -1.301 118.484 119.800 -0.026 0.000 2.394 336 Q HA 0.700 5.040 4.340 0.000 0.000 0.273 336 Q C -1.136 174.781 176.000 -0.137 0.000 1.089 336 Q CA -0.866 54.957 55.803 0.034 0.000 0.812 336 Q CB 1.791 30.522 28.738 -0.012 0.000 1.353 336 Q HN 0.297 nan 8.270 nan 0.000 0.438 337 W N 0.012 121.380 121.300 0.113 0.000 3.083 337 W HA 0.584 5.244 4.660 -0.000 0.000 0.333 337 W C -0.701 175.919 176.519 0.169 0.000 1.217 337 W CA -0.415 57.023 57.345 0.156 0.000 1.170 337 W CB 1.763 31.358 29.460 0.224 0.000 1.437 337 W HN 0.592 nan 8.180 nan 0.000 0.557 338 T N -0.825 113.964 114.554 0.391 0.000 2.896 338 T HA 0.838 5.188 4.350 0.000 0.000 0.297 338 T C -1.391 173.499 174.700 0.317 0.000 1.108 338 T CA -0.917 61.325 62.100 0.236 0.000 1.004 338 T CB 2.216 71.139 68.868 0.091 0.000 1.159 338 T HN 0.630 nan 8.240 nan 0.000 0.499 339 Y N -1.176 119.224 120.300 0.166 0.000 2.609 339 Y HA 0.813 5.363 4.550 0.000 0.000 0.336 339 Y C -1.658 174.311 175.900 0.114 0.000 1.129 339 Y CA -1.410 56.773 58.100 0.139 0.000 1.040 339 Y CB 1.296 39.839 38.460 0.137 0.000 1.310 339 Y HN 0.639 nan 8.280 nan 0.000 0.460 340 Q N 2.114 122.062 119.800 0.247 0.000 2.397 340 Q HA 0.654 4.994 4.340 0.000 0.000 0.275 340 Q C -1.503 174.618 176.000 0.202 0.000 1.090 340 Q CA -0.726 55.183 55.803 0.176 0.000 0.809 340 Q CB 3.013 31.840 28.738 0.149 0.000 1.362 340 Q HN 0.626 nan 8.270 nan 0.000 0.431 341 I N 3.214 123.885 120.570 0.168 0.000 2.389 341 I HA 0.487 4.657 4.170 0.000 0.000 0.288 341 I C -0.870 175.240 176.117 -0.012 0.000 0.999 341 I CA -0.880 60.397 61.300 -0.038 0.000 1.129 341 I CB 0.320 38.322 38.000 0.005 0.000 1.288 341 I HN 0.681 nan 8.210 nan 0.000 0.444 342 Y N 3.645 123.853 120.300 -0.153 0.000 2.625 342 Y HA 0.535 5.085 4.550 -0.000 0.000 0.338 342 Y C -0.032 175.773 175.900 -0.159 0.000 1.123 342 Y CA -0.929 57.092 58.100 -0.132 0.000 1.046 342 Y CB 1.346 39.729 38.460 -0.129 0.000 1.299 342 Y HN 0.464 nan 8.280 nan 0.000 0.464 343 Q N -0.175 119.721 119.800 0.161 0.000 2.280 343 Q HA 0.270 4.610 4.340 0.000 0.000 0.244 343 Q C -0.764 175.318 176.000 0.137 0.000 0.847 343 Q CA 0.183 56.024 55.803 0.064 0.000 0.945 343 Q CB 1.265 29.991 28.738 -0.020 0.000 1.115 343 Q HN 0.656 nan 8.270 nan 0.000 0.513 344 E N 0.968 121.262 120.200 0.157 0.000 2.317 344 E HA 0.383 4.733 4.350 0.000 0.000 0.270 344 E C -2.676 173.867 176.600 -0.095 0.000 0.885 344 E CA -2.306 54.123 56.400 0.047 0.000 0.760 344 E CB 1.615 31.328 29.700 0.021 0.000 1.227 344 E HN -0.128 nan 8.360 nan 0.000 0.434 345 P HA -0.052 nan 4.420 nan 0.000 0.264 345 P C -0.531 176.701 177.300 -0.114 0.000 1.179 345 P CA 0.111 63.081 63.100 -0.217 0.000 0.763 345 P CB -0.048 31.675 31.700 0.039 0.000 0.806 346 F N 1.179 120.906 119.950 -0.373 0.000 2.219 346 F HA -0.197 4.330 4.527 -0.000 0.000 0.135 346 F C 0.881 176.589 175.800 -0.154 0.000 1.036 346 F CA 1.054 58.908 58.000 -0.243 0.000 0.747 346 F CB -1.291 37.606 39.000 -0.173 0.000 0.643 346 F HN 0.234 nan 8.300 nan 0.000 0.796 347 K N 1.433 121.801 120.400 -0.054 0.000 2.265 347 K HA 0.178 4.498 4.320 0.000 0.000 0.320 347 K C -0.854 175.747 176.600 0.002 0.000 1.661 347 K CA -0.378 55.899 56.287 -0.017 0.000 0.952 347 K CB -0.041 32.456 32.500 -0.003 0.000 1.415 347 K HN 0.193 nan 8.250 nan 0.000 0.449 348 N N 2.672 121.376 118.700 0.008 0.000 2.453 348 N HA 0.126 4.866 4.740 0.000 0.000 0.253 348 N C 0.989 176.595 175.510 0.160 0.000 1.252 348 N CA -0.069 53.037 53.050 0.092 0.000 0.917 348 N CB 0.744 39.274 38.487 0.073 0.000 1.117 348 N HN 0.429 nan 8.380 nan 0.000 0.442 349 L N 0.325 121.699 121.223 0.251 0.000 2.127 349 L HA 0.105 4.445 4.340 0.000 0.000 0.203 349 L C 0.985 178.230 176.870 0.626 0.000 1.080 349 L CA 0.954 56.041 54.840 0.412 0.000 0.768 349 L CB 0.067 42.305 42.059 0.298 0.000 0.924 349 L HN 0.592 nan 8.230 nan 0.000 0.444 350 K N -1.163 119.515 120.400 0.464 0.000 2.660 350 K HA 0.296 4.616 4.320 0.000 0.000 0.285 350 K C -1.287 175.477 176.600 0.273 0.000 0.997 350 K CA -0.337 56.251 56.287 0.502 0.000 0.861 350 K CB 1.601 34.388 32.500 0.478 0.000 1.469 350 K HN -0.048 nan 8.250 nan 0.000 0.395 351 T N -1.187 113.472 114.554 0.175 0.000 2.831 351 T HA 0.943 5.293 4.350 0.000 0.000 0.287 351 T C 0.012 174.578 174.700 -0.224 0.000 1.070 351 T CA -0.238 61.829 62.100 -0.055 0.000 1.010 351 T CB 1.909 70.737 68.868 -0.065 0.000 1.264 351 T HN 0.945 nan 8.240 nan 0.000 0.532 352 G N 0.159 108.565 108.800 -0.658 0.000 2.349 352 G HA2 0.559 4.519 3.960 0.000 0.000 0.294 352 G HA3 0.559 4.519 3.960 0.000 0.000 0.294 352 G C -2.152 172.409 174.900 -0.564 0.000 1.380 352 G CA -0.753 44.026 45.100 -0.535 0.000 0.811 352 G HN 0.979 nan 8.290 nan 0.000 0.519 353 K N -1.433 118.948 120.400 -0.032 0.000 2.433 353 K HA 0.868 5.188 4.320 0.000 0.000 0.252 353 K C -1.534 175.311 176.600 0.408 0.000 1.015 353 K CA -1.136 55.268 56.287 0.195 0.000 0.860 353 K CB 2.019 34.591 32.500 0.119 0.000 1.359 353 K HN 0.818 nan 8.250 nan 0.000 0.452 354 Y N -0.360 120.113 120.300 0.290 0.000 2.581 354 Y HA 0.761 5.311 4.550 0.000 0.000 0.345 354 Y C -1.765 174.277 175.900 0.236 0.000 1.036 354 Y CA -0.747 57.490 58.100 0.228 0.000 1.042 354 Y CB 2.356 40.914 38.460 0.164 0.000 1.289 354 Y HN 1.011 nan 8.280 nan 0.000 0.471 355 A N 3.478 125.752 122.820 -0.909 0.000 2.566 355 A HA 0.603 4.923 4.320 0.000 0.000 0.297 355 A C -1.647 175.531 177.584 -0.677 0.000 1.059 355 A CA -1.190 50.534 52.037 -0.522 0.000 0.691 355 A CB 1.092 19.971 19.000 -0.201 0.000 1.282 355 A HN 0.821 nan 8.150 nan 0.000 0.401 356 R N 2.198 122.537 120.500 -0.267 0.000 2.351 356 R HA 0.353 4.693 4.340 0.000 0.000 0.321 356 R C 0.729 176.982 176.300 -0.078 0.000 1.182 356 R CA -0.347 55.686 56.100 -0.111 0.000 1.011 356 R CB -0.214 30.108 30.300 0.037 0.000 1.048 356 R HN 0.709 nan 8.270 nan 0.000 0.490 357 M N 2.748 122.298 119.600 -0.082 0.000 2.399 357 M HA -0.277 4.203 4.480 0.000 0.000 0.263 357 M C 2.302 178.593 176.300 -0.015 0.000 1.067 357 M CA 2.118 57.393 55.300 -0.040 0.000 1.084 357 M CB -0.177 32.415 32.600 -0.013 0.000 1.252 357 M HN 0.691 nan 8.290 nan 0.000 0.454 358 R N -0.448 120.055 120.500 0.006 0.000 2.066 358 R HA 0.046 4.386 4.340 0.000 0.000 0.232 358 R C 1.816 178.111 176.300 -0.008 0.000 1.131 358 R CA 1.786 57.890 56.100 0.006 0.000 0.955 358 R CB -1.840 28.475 30.300 0.026 0.000 0.851 358 R HN 0.667 nan 8.270 nan 0.000 0.432 359 G N 0.611 109.417 108.800 0.010 0.000 2.189 359 G HA2 -0.346 3.614 3.960 0.000 0.000 0.267 359 G HA3 -0.346 3.614 3.960 0.000 0.000 0.267 359 G C 0.538 175.424 174.900 -0.023 0.000 0.975 359 G CA 0.849 45.955 45.100 0.010 0.000 0.644 359 G HN 0.893 nan 8.290 nan 0.000 0.537 360 A N 1.721 124.513 122.820 -0.047 0.000 2.625 360 A HA 0.345 4.665 4.320 0.000 0.000 0.289 360 A C 1.164 178.719 177.584 -0.047 0.000 1.411 360 A CA 1.005 52.959 52.037 -0.139 0.000 1.035 360 A CB -1.118 17.873 19.000 -0.016 0.000 0.992 360 A HN 1.487 nan 8.150 nan 0.000 0.580 361 H N 1.009 120.132 119.070 0.089 0.000 2.425 361 H HA -0.130 4.426 4.556 0.000 0.000 0.304 361 H C 0.565 175.959 175.328 0.110 0.000 0.891 361 H CA 1.285 57.387 56.048 0.090 0.000 0.999 361 H CB -1.824 27.984 29.762 0.076 0.000 1.601 361 H HN 0.697 nan 8.280 nan 0.000 0.319 362 T N 1.496 116.166 114.554 0.192 0.000 2.844 362 T HA 0.349 4.699 4.350 0.000 0.000 0.274 362 T C 0.806 175.588 174.700 0.136 0.000 0.991 362 T CA -0.903 61.294 62.100 0.163 0.000 0.983 362 T CB 2.056 71.005 68.868 0.134 0.000 1.310 362 T HN 0.495 nan 8.240 nan 0.000 0.596 363 N N 0.450 119.192 118.700 0.070 0.000 2.269 363 N HA 0.187 4.927 4.740 0.000 0.000 0.304 363 N C -0.011 175.461 175.510 -0.063 0.000 1.072 363 N CA -0.334 52.707 53.050 -0.016 0.000 0.802 363 N CB 2.189 40.604 38.487 -0.120 0.000 1.348 363 N HN 0.516 nan 8.380 nan 0.000 0.484 364 D N 1.756 122.153 120.400 -0.006 0.000 2.219 364 D HA -0.073 4.567 4.640 0.000 0.000 0.205 364 D C 1.632 177.846 176.300 -0.143 0.000 0.970 364 D CA 1.064 55.133 54.000 0.115 0.000 0.851 364 D CB 0.721 41.646 40.800 0.208 0.000 0.943 364 D HN 0.297 nan 8.370 nan 0.000 0.488 365 V N 1.155 120.799 119.914 -0.450 0.000 2.358 365 V HA -0.201 3.919 4.120 0.000 0.000 0.246 365 V C 2.448 177.968 176.094 -0.957 0.000 1.047 365 V CA 1.399 63.239 62.300 -0.767 0.000 1.035 365 V CB -0.347 30.713 31.823 -1.272 0.000 0.658 365 V HN 0.099 nan 8.190 nan 0.000 0.452 366 K N -0.218 119.610 120.400 -0.953 0.000 2.103 366 K HA -0.184 4.136 4.320 0.000 0.000 0.204 366 K C 2.246 178.626 176.600 -0.366 0.000 1.052 366 K CA 1.409 57.317 56.287 -0.632 0.000 0.945 366 K CB -0.073 32.245 32.500 -0.305 0.000 0.722 366 K HN 0.487 nan 8.250 nan 0.000 0.443 367 Q N 0.494 120.117 119.800 -0.295 0.000 2.079 367 Q HA -0.113 4.227 4.340 0.000 0.000 0.200 367 Q C 2.110 177.659 176.000 -0.751 0.000 0.974 367 Q CA 1.108 56.740 55.803 -0.285 0.000 0.840 367 Q CB -0.093 28.640 28.738 -0.008 0.000 0.898 367 Q HN 0.343 nan 8.270 nan 0.000 0.430 368 L N 0.682 121.346 121.223 -0.931 0.000 2.079 368 L HA -0.189 4.151 4.340 0.000 0.000 0.210 368 L C 1.738 178.153 176.870 -0.760 0.000 1.081 368 L CA 1.737 55.904 54.840 -1.122 0.000 0.752 368 L CB -0.652 40.946 42.059 -0.769 0.000 0.896 368 L HN 0.296 nan 8.230 nan 0.000 0.433 369 T N -0.202 114.016 114.554 -0.560 0.000 2.777 369 T HA -0.172 4.178 4.350 0.000 0.000 0.266 369 T C 1.659 176.083 174.700 -0.461 0.000 1.040 369 T CA 1.401 63.252 62.100 -0.415 0.000 1.141 369 T CB -0.062 68.707 68.868 -0.165 0.000 0.868 369 T HN 0.409 nan 8.240 nan 0.000 0.444 370 E N 0.816 120.723 120.200 -0.488 0.000 2.153 370 E HA -0.068 4.282 4.350 0.000 0.000 0.194 370 E C 2.356 178.428 176.600 -0.879 0.000 0.988 370 E CA 0.943 57.009 56.400 -0.556 0.000 0.811 370 E CB -0.131 29.285 29.700 -0.473 0.000 0.746 370 E HN 0.476 nan 8.360 nan 0.000 0.466 371 A N 0.391 122.612 122.820 -0.998 0.000 1.897 371 A HA -0.095 4.225 4.320 0.000 0.000 0.215 371 A C 2.422 179.638 177.584 -0.613 0.000 1.181 371 A CA 0.826 52.330 52.037 -0.889 0.000 0.620 371 A CB -0.450 18.115 19.000 -0.725 0.000 0.821 371 A HN 0.118 nan 8.150 nan 0.000 0.443 372 V N 0.149 119.674 119.914 -0.649 0.000 2.332 372 V HA -0.288 3.832 4.120 0.000 0.000 0.248 372 V C 2.752 178.507 176.094 -0.565 0.000 1.055 372 V CA 2.388 64.216 62.300 -0.787 0.000 1.038 372 V CB -0.779 30.417 31.823 -1.046 0.000 0.651 372 V HN 0.673 nan 8.190 nan 0.000 0.450 373 Q N 0.830 120.358 119.800 -0.454 0.000 2.016 373 Q HA -0.189 4.151 4.340 0.000 0.000 0.200 373 Q C 2.309 178.175 176.000 -0.224 0.000 0.978 373 Q CA 1.796 57.427 55.803 -0.286 0.000 0.833 373 Q CB -0.590 28.010 28.738 -0.230 0.000 0.895 373 Q HN 0.416 nan 8.270 nan 0.000 0.427 374 K N 0.207 120.434 120.400 -0.289 0.000 2.173 374 K HA -0.156 4.164 4.320 0.000 0.000 0.207 374 K C 1.915 178.411 176.600 -0.173 0.000 1.046 374 K CA 1.497 57.659 56.287 -0.209 0.000 0.929 374 K CB -0.351 31.989 32.500 -0.266 0.000 0.720 374 K HN 0.413 nan 8.250 nan 0.000 0.453 375 I N 0.096 120.529 120.570 -0.228 0.000 2.584 375 I HA -0.162 4.008 4.170 0.000 0.000 0.255 375 I C 1.945 178.073 176.117 0.019 0.000 1.145 375 I CA 0.790 61.985 61.300 -0.175 0.000 1.462 375 I CB -0.125 37.759 38.000 -0.193 0.000 1.102 375 I HN 0.067 nan 8.210 nan 0.000 0.433 376 T N 0.087 114.679 114.554 0.063 0.000 2.777 376 T HA -0.138 4.212 4.350 0.000 0.000 0.266 376 T C 1.919 176.641 174.700 0.037 0.000 1.040 376 T CA 1.948 64.111 62.100 0.105 0.000 1.141 376 T CB -0.322 68.579 68.868 0.054 0.000 0.868 376 T HN 0.326 nan 8.240 nan 0.000 0.444 377 T N 1.709 116.258 114.554 -0.008 0.000 2.708 377 T HA -0.115 4.235 4.350 0.000 0.000 0.266 377 T C 1.907 176.589 174.700 -0.029 0.000 1.037 377 T CA 1.383 63.473 62.100 -0.016 0.000 1.146 377 T CB -0.273 68.581 68.868 -0.024 0.000 0.865 377 T HN 0.522 nan 8.240 nan 0.000 0.435 378 E N 0.749 120.928 120.200 -0.035 0.000 2.085 378 E HA -0.145 4.205 4.350 0.000 0.000 0.194 378 E C 2.346 178.875 176.600 -0.118 0.000 0.994 378 E CA 1.309 57.665 56.400 -0.073 0.000 0.801 378 E CB -0.063 29.615 29.700 -0.037 0.000 0.743 378 E HN 0.358 nan 8.360 nan 0.000 0.453 379 S N 0.563 116.283 115.700 0.034 0.000 2.356 379 S HA -0.149 4.321 4.470 0.000 0.000 0.223 379 S C 1.976 176.617 174.600 0.067 0.000 1.032 379 S CA 1.220 59.553 58.200 0.223 0.000 1.005 379 S CB -0.259 63.117 63.200 0.293 0.000 0.867 379 S HN 0.307 nan 8.310 nan 0.000 0.449 380 I N 1.340 121.924 120.570 0.024 0.000 2.208 380 I HA -0.161 4.009 4.170 0.000 0.000 0.245 380 I C 2.157 178.220 176.117 -0.091 0.000 1.097 380 I CA 0.926 62.221 61.300 -0.007 0.000 1.363 380 I CB -0.608 37.393 38.000 0.002 0.000 1.051 380 I HN 0.152 nan 8.210 nan 0.000 0.413 381 V N 1.174 121.006 119.914 -0.136 0.000 2.343 381 V HA -0.264 3.856 4.120 0.000 0.000 0.247 381 V C 2.225 178.137 176.094 -0.302 0.000 1.051 381 V CA 1.923 64.115 62.300 -0.179 0.000 1.036 381 V CB -0.405 31.320 31.823 -0.162 0.000 0.654 381 V HN 0.347 nan 8.190 nan 0.000 0.451 382 I N -1.919 118.340 120.570 -0.518 0.000 2.339 382 I HA -0.099 4.071 4.170 0.000 0.000 0.245 382 I C 2.057 177.611 176.117 -0.937 0.000 1.096 382 I CA 1.262 62.029 61.300 -0.888 0.000 1.408 382 I CB -0.213 36.827 38.000 -1.600 0.000 1.092 382 I HN 0.365 nan 8.210 nan 0.000 0.423 383 W N 0.529 121.670 121.300 -0.264 0.000 3.127 383 W HA 0.373 5.033 4.660 0.000 0.000 0.344 383 W C 1.506 177.901 176.519 -0.207 0.000 1.151 383 W CA 0.604 57.733 57.345 -0.359 0.000 1.765 383 W CB -0.354 28.856 29.460 -0.418 0.000 1.085 383 W HN 0.345 nan 8.180 nan 0.000 0.596 384 G N 2.246 111.041 108.800 -0.009 0.000 2.155 384 G HA2 -0.323 3.637 3.960 0.000 0.000 0.257 384 G HA3 -0.323 3.637 3.960 0.000 0.000 0.257 384 G C 0.239 175.174 174.900 0.059 0.000 0.983 384 G CA 1.134 46.242 45.100 0.014 0.000 0.676 384 G HN 0.388 nan 8.290 nan 0.000 0.528 385 K N -1.409 119.051 120.400 0.100 0.000 2.555 385 K HA 0.732 5.052 4.320 0.000 0.000 0.279 385 K C -0.183 176.474 176.600 0.095 0.000 0.986 385 K CA -0.420 55.920 56.287 0.089 0.000 0.880 385 K CB 0.950 33.503 32.500 0.088 0.000 1.474 385 K HN 0.471 nan 8.250 nan 0.000 0.433 386 T N -1.223 113.368 114.554 0.062 0.000 2.927 386 T HA 0.617 4.967 4.350 0.000 0.000 0.281 386 T C -2.255 172.412 174.700 -0.054 0.000 0.998 386 T CA -1.510 60.620 62.100 0.049 0.000 1.019 386 T CB 1.272 70.197 68.868 0.095 0.000 1.061 386 T HN 0.552 nan 8.240 nan 0.000 0.518 387 P HA 0.449 nan 4.420 nan 0.000 0.286 387 P C -1.271 175.758 177.300 -0.452 0.000 1.292 387 P CA -0.984 61.858 63.100 -0.429 0.000 0.842 387 P CB 1.242 32.525 31.700 -0.695 0.000 1.207 388 K N 0.771 120.928 120.400 -0.404 0.000 2.227 388 K HA 0.419 4.739 4.320 0.000 0.000 0.280 388 K C -0.375 176.014 176.600 -0.353 0.000 1.041 388 K CA -0.296 55.856 56.287 -0.225 0.000 0.905 388 K CB 0.398 32.808 32.500 -0.150 0.000 1.068 388 K HN 0.319 nan 8.250 nan 0.000 0.470 389 F N 1.714 121.617 119.950 -0.079 0.000 2.377 389 F HA 0.327 4.854 4.527 0.000 0.000 0.328 389 F C 0.593 176.398 175.800 0.009 0.000 1.094 389 F CA -0.554 57.403 58.000 -0.072 0.000 1.093 389 F CB 1.018 39.954 39.000 -0.107 0.000 1.214 389 F HN 0.152 nan 8.300 nan 0.000 0.518 390 K N 3.502 124.003 120.400 0.169 0.000 2.450 390 K HA 0.635 4.955 4.320 0.000 0.000 0.257 390 K C -1.482 175.229 176.600 0.185 0.000 0.953 390 K CA -0.427 55.956 56.287 0.160 0.000 0.844 390 K CB 1.546 34.099 32.500 0.089 0.000 1.103 390 K HN 0.478 nan 8.250 nan 0.000 0.429 391 L N 3.944 125.309 121.223 0.236 0.000 2.386 391 L HA 0.455 4.795 4.340 0.000 0.000 0.271 391 L C -2.016 175.014 176.870 0.267 0.000 0.993 391 L CA -2.216 52.722 54.840 0.163 0.000 0.819 391 L CB 2.157 44.166 42.059 -0.083 0.000 1.294 391 L HN 0.426 nan 8.230 nan 0.000 0.414 392 P HA 0.091 nan 4.420 nan 0.000 0.262 392 P C -0.490 176.984 177.300 0.291 0.000 1.647 392 P CA 0.675 63.950 63.100 0.292 0.000 0.865 392 P CB 0.159 31.987 31.700 0.213 0.000 1.834 393 I N -0.914 119.833 120.570 0.294 0.000 2.752 393 I HA 0.236 4.406 4.170 0.000 0.000 0.295 393 I C -0.970 175.055 176.117 -0.153 0.000 1.219 393 I CA -1.138 60.176 61.300 0.024 0.000 1.030 393 I CB 2.864 40.803 38.000 -0.102 0.000 1.259 393 I HN -0.230 nan 8.210 nan 0.000 0.423 394 Q N 5.168 124.754 119.800 -0.356 0.000 2.293 394 Q HA 0.161 4.501 4.340 0.000 0.000 0.263 394 Q C 0.514 176.542 176.000 0.047 0.000 1.002 394 Q CA -0.274 55.270 55.803 -0.433 0.000 0.910 394 Q CB 1.553 30.048 28.738 -0.406 0.000 1.185 394 Q HN 0.459 nan 8.270 nan 0.000 0.401 395 K N 1.873 122.390 120.400 0.195 0.000 2.107 395 K HA -0.310 4.010 4.320 0.000 0.000 0.211 395 K C 1.637 178.423 176.600 0.311 0.000 1.049 395 K CA 1.973 58.502 56.287 0.404 0.000 0.927 395 K CB 0.082 32.626 32.500 0.074 0.000 0.714 395 K HN 0.623 nan 8.250 nan 0.000 0.452 396 E N -0.588 119.686 120.200 0.124 0.000 2.072 396 E HA -0.163 4.187 4.350 0.000 0.000 0.191 396 E C 1.525 178.174 176.600 0.082 0.000 0.985 396 E CA 1.608 58.057 56.400 0.081 0.000 0.801 396 E CB 0.090 29.797 29.700 0.011 0.000 0.750 396 E HN 0.290 nan 8.360 nan 0.000 0.452 397 T N 0.178 114.767 114.554 0.059 0.000 2.622 397 T HA -0.221 4.129 4.350 0.000 0.000 0.266 397 T C 1.092 175.863 174.700 0.118 0.000 1.047 397 T CA 1.540 63.657 62.100 0.027 0.000 1.159 397 T CB -0.660 68.184 68.868 -0.040 0.000 0.863 397 T HN 0.413 nan 8.240 nan 0.000 0.422 398 W N 2.000 123.324 121.300 0.040 0.000 2.332 398 W HA -0.139 4.521 4.660 -0.000 0.000 0.321 398 W C 2.388 179.080 176.519 0.290 0.000 1.219 398 W CA 1.522 58.949 57.345 0.135 0.000 1.277 398 W CB -0.462 29.068 29.460 0.116 0.000 1.161 398 W HN 0.341 nan 8.180 nan 0.000 0.476 399 E N -1.128 119.337 120.200 0.441 0.000 2.114 399 E HA -0.283 4.067 4.350 0.000 0.000 0.199 399 E C 1.948 178.348 176.600 -0.333 0.000 1.008 399 E CA 2.330 58.751 56.400 0.036 0.000 0.810 399 E CB -0.662 29.098 29.700 0.099 0.000 0.739 399 E HN 0.275 nan 8.360 nan 0.000 0.456 400 T N 0.274 114.752 114.554 -0.126 0.000 2.665 400 T HA -0.220 4.130 4.350 0.000 0.000 0.268 400 T C 1.251 175.856 174.700 -0.159 0.000 1.035 400 T CA 1.600 63.611 62.100 -0.150 0.000 1.151 400 T CB -0.446 68.385 68.868 -0.061 0.000 0.862 400 T HN 0.433 nan 8.240 nan 0.000 0.438 401 W N 1.519 122.638 121.300 -0.302 0.000 2.409 401 W HA -0.024 4.636 4.660 -0.000 0.000 0.299 401 W C 2.318 178.660 176.519 -0.295 0.000 1.203 401 W CA 0.832 57.993 57.345 -0.306 0.000 1.298 401 W CB -0.408 28.838 29.460 -0.357 0.000 1.127 401 W HN 0.499 nan 8.180 nan 0.000 0.528 402 W N 0.361 121.353 121.300 -0.514 0.000 2.388 402 W HA -0.119 4.541 4.660 0.000 0.000 0.294 402 W C 1.305 177.551 176.519 -0.456 0.000 1.212 402 W CA 1.594 58.490 57.345 -0.749 0.000 1.271 402 W CB -1.246 27.654 29.460 -0.933 0.000 1.126 402 W HN -0.262 nan 8.180 nan 0.000 0.535 403 T N 1.930 115.917 114.554 -0.945 0.000 2.962 403 T HA -0.213 4.137 4.350 0.000 0.000 0.270 403 T C 1.387 175.826 174.700 -0.436 0.000 1.088 403 T CA 1.971 63.449 62.100 -1.037 0.000 1.127 403 T CB -0.243 67.924 68.868 -1.168 0.000 0.883 403 T HN 0.522 nan 8.240 nan 0.000 0.493 404 E N -0.722 119.261 120.200 -0.361 0.000 2.498 404 E HA 0.082 4.432 4.350 0.000 0.000 0.203 404 E C -0.079 176.400 176.600 -0.201 0.000 1.013 404 E CA -0.515 55.747 56.400 -0.230 0.000 0.927 404 E CB 0.045 29.637 29.700 -0.180 0.000 1.012 404 E HN 0.416 nan 8.360 nan 0.000 0.482 405 Y N 2.603 122.585 120.300 -0.530 0.000 2.308 405 Y HA 0.077 4.627 4.550 -0.000 0.000 0.329 405 Y C 1.149 176.818 175.900 -0.384 0.000 1.111 405 Y CA -1.761 55.952 58.100 -0.646 0.000 1.179 405 Y CB 0.613 38.261 38.460 -1.353 0.000 1.201 405 Y HN 0.186 nan 8.280 nan 0.000 0.483 406 W N 3.769 124.622 121.300 -0.745 0.000 2.374 406 W HA -0.103 4.557 4.660 -0.000 0.000 0.288 406 W C -0.261 175.935 176.519 -0.539 0.000 1.218 406 W CA 0.478 57.491 57.345 -0.554 0.000 1.245 406 W CB -0.421 28.761 29.460 -0.463 0.000 1.126 406 W HN 0.544 nan 8.180 nan 0.000 0.545 407 Q N 1.436 120.163 119.800 -1.788 0.000 2.259 407 Q HA 0.479 4.819 4.340 0.000 0.000 0.246 407 Q C -0.086 175.620 176.000 -0.489 0.000 0.920 407 Q CA -0.300 54.775 55.803 -1.214 0.000 0.895 407 Q CB 1.523 29.267 28.738 -1.656 0.000 1.220 407 Q HN 0.089 nan 8.270 nan 0.000 0.439 408 A N 2.454 125.128 122.820 -0.242 0.000 2.340 408 A HA 0.551 4.871 4.320 0.000 0.000 0.268 408 A C -0.124 177.411 177.584 -0.082 0.000 1.100 408 A CA 0.060 52.023 52.037 -0.123 0.000 0.803 408 A CB 1.321 20.277 19.000 -0.074 0.000 1.043 408 A HN 0.722 nan 8.150 nan 0.000 0.488 409 T N 0.768 115.293 114.554 -0.048 0.000 2.731 409 T HA 0.628 4.978 4.350 0.000 0.000 0.300 409 T C -2.299 172.506 174.700 0.175 0.000 1.283 409 T CA -0.320 61.815 62.100 0.058 0.000 1.005 409 T CB 1.304 70.237 68.868 0.110 0.000 1.420 409 T HN 1.461 nan 8.240 nan 0.000 0.503 410 W N 3.799 125.099 121.300 0.001 0.000 3.890 410 W HA 0.333 4.993 4.660 -0.000 0.000 0.298 410 W C -2.607 173.877 176.519 -0.058 0.000 1.165 410 W CA -0.854 56.482 57.345 -0.015 0.000 1.343 410 W CB 0.012 29.416 29.460 -0.093 0.000 1.067 410 W HN 0.682 nan 8.180 nan 0.000 0.398 411 I N 7.447 127.536 120.570 -0.802 0.000 2.396 411 I HA 0.264 4.434 4.170 0.000 0.000 0.292 411 I C -1.358 174.073 176.117 -1.143 0.000 0.999 411 I CA -1.780 58.943 61.300 -0.963 0.000 1.310 411 I CB 0.978 38.324 38.000 -1.089 0.000 1.404 411 I HN 0.114 nan 8.210 nan 0.000 0.496 412 P HA -0.000 nan 4.420 nan 0.000 0.293 412 P C -0.642 176.540 177.300 -0.196 0.000 1.285 412 P CA -0.340 62.547 63.100 -0.356 0.000 0.775 412 P CB 0.293 31.989 31.700 -0.006 0.000 1.351 413 E N 0.362 120.544 120.200 -0.030 0.000 2.414 413 E HA 0.093 4.443 4.350 0.000 0.000 0.263 413 E C -0.646 176.025 176.600 0.119 0.000 1.000 413 E CA 0.593 56.973 56.400 -0.032 0.000 0.914 413 E CB 0.178 29.863 29.700 -0.025 0.000 0.948 413 E HN 0.433 nan 8.360 nan 0.000 0.444 414 W N 2.737 123.953 121.300 -0.141 0.000 3.624 414 W HA 0.295 4.955 4.660 0.000 0.000 0.312 414 W C -1.120 175.356 176.519 -0.071 0.000 1.203 414 W CA -0.814 56.473 57.345 -0.097 0.000 1.225 414 W CB 0.086 29.428 29.460 -0.198 0.000 1.321 414 W HN 0.534 nan 8.180 nan 0.000 0.506 415 E N 2.838 123.086 120.200 0.080 0.000 2.212 415 E HA 0.546 4.896 4.350 0.000 0.000 0.270 415 E C -1.172 175.607 176.600 0.298 0.000 0.956 415 E CA -0.848 55.555 56.400 0.006 0.000 0.825 415 E CB 2.362 32.060 29.700 -0.003 0.000 1.167 415 E HN 0.193 nan 8.360 nan 0.000 0.400 416 F N 2.071 122.072 119.950 0.085 0.000 2.459 416 F HA 0.306 4.833 4.527 0.000 0.000 0.346 416 F C -0.659 175.213 175.800 0.121 0.000 1.128 416 F CA -0.844 57.265 58.000 0.181 0.000 1.268 416 F CB 1.086 40.163 39.000 0.130 0.000 1.161 416 F HN 0.225 nan 8.300 nan 0.000 0.583 417 V N 6.365 126.078 119.914 -0.335 0.000 2.538 417 V HA 0.080 4.200 4.120 0.000 0.000 0.265 417 V C -0.133 175.561 176.094 -0.666 0.000 0.977 417 V CA -1.116 60.905 62.300 -0.465 0.000 0.852 417 V CB 0.725 32.503 31.823 -0.076 0.000 1.058 417 V HN 0.780 nan 8.190 nan 0.000 0.462 418 N N 2.967 120.962 118.700 -1.176 0.000 2.349 418 N HA -0.023 4.717 4.740 0.000 0.000 0.296 418 N C -0.269 175.143 175.510 -0.164 0.000 1.304 418 N CA 0.650 53.364 53.050 -0.560 0.000 1.051 418 N CB 0.330 38.597 38.487 -0.367 0.000 1.466 418 N HN 0.627 nan 8.380 nan 0.000 0.487 419 T N 4.486 119.019 114.554 -0.035 0.000 3.135 419 T HA 0.254 4.604 4.350 0.000 0.000 0.357 419 T C -2.548 172.187 174.700 0.058 0.000 1.112 419 T CA -0.885 61.224 62.100 0.014 0.000 1.290 419 T CB 1.496 70.376 68.868 0.020 0.000 1.018 419 T HN 0.277 nan 8.240 nan 0.000 0.527 420 P HA 0.063 nan 4.420 nan 0.000 0.264 420 P C -2.183 175.147 177.300 0.050 0.000 1.173 420 P CA -0.695 62.446 63.100 0.068 0.000 0.761 420 P CB -0.047 31.691 31.700 0.063 0.000 0.794 421 P HA 0.155 nan 4.420 nan 0.000 0.276 421 P C -0.444 176.898 177.300 0.071 0.000 1.230 421 P CA 0.110 63.245 63.100 0.059 0.000 0.776 421 P CB 0.800 32.524 31.700 0.040 0.000 0.888 422 L N 2.152 123.423 121.223 0.079 0.000 2.469 422 L HA 0.337 4.677 4.340 0.000 0.000 0.253 422 L C 0.439 177.315 176.870 0.010 0.000 1.143 422 L CA -1.239 53.652 54.840 0.085 0.000 0.804 422 L CB 0.895 43.010 42.059 0.093 0.000 1.214 422 L HN 0.136 nan 8.230 nan 0.000 0.476 423 V N 0.930 120.840 119.914 -0.007 0.000 2.432 423 V HA 0.119 4.239 4.120 0.000 0.000 0.275 423 V C 0.165 176.112 176.094 -0.244 0.000 1.043 423 V CA -0.795 61.466 62.300 -0.064 0.000 0.925 423 V CB 1.010 32.829 31.823 -0.008 0.000 0.985 423 V HN 0.697 nan 8.190 nan 0.000 0.466 424 K N 5.325 125.516 120.400 -0.347 0.000 2.350 424 K HA 0.497 4.817 4.320 0.000 0.000 0.279 424 K C -0.532 175.728 176.600 -0.566 0.000 1.027 424 K CA -0.256 55.586 56.287 -0.741 0.000 0.969 424 K CB 0.989 32.959 32.500 -0.883 0.000 0.954 424 K HN 0.597 nan 8.250 nan 0.000 0.474 425 L N 3.994 124.828 121.223 -0.648 0.000 2.928 425 L HA 0.166 4.506 4.340 0.000 0.000 0.318 425 L C -0.143 176.593 176.870 -0.223 0.000 1.305 425 L CA -0.728 53.907 54.840 -0.343 0.000 0.756 425 L CB 0.112 42.035 42.059 -0.225 0.000 1.155 425 L HN 0.896 nan 8.230 nan 0.000 0.561 426 W N 0.309 121.613 121.300 0.007 0.000 2.285 426 W HA -0.269 4.391 4.660 -0.000 0.000 0.290 426 W C 0.742 177.367 176.519 0.177 0.000 1.217 426 W CA 1.079 58.483 57.345 0.098 0.000 1.207 426 W CB -0.697 28.860 29.460 0.162 0.000 1.136 426 W HN 0.429 nan 8.180 nan 0.000 0.546 427 Y N -2.535 117.899 120.300 0.223 0.000 2.552 427 Y HA 0.611 5.161 4.550 -0.000 0.000 0.337 427 Y C -0.904 175.056 175.900 0.100 0.000 1.094 427 Y CA -2.468 55.718 58.100 0.144 0.000 1.028 427 Y CB 0.646 39.187 38.460 0.135 0.000 1.321 427 Y HN -0.101 nan 8.280 nan 0.000 0.456 428 Q N 3.295 123.173 119.800 0.130 0.000 2.375 428 Q HA 0.650 4.990 4.340 0.000 0.000 0.271 428 Q C -1.489 174.605 176.000 0.157 0.000 1.074 428 Q CA -0.991 54.839 55.803 0.045 0.000 0.808 428 Q CB 2.292 31.042 28.738 0.021 0.000 1.327 428 Q HN 0.932 nan 8.270 nan 0.000 0.441 429 L N 1.608 122.913 121.223 0.137 0.000 2.454 429 L HA 0.355 4.695 4.340 0.000 0.000 0.256 429 L C 0.062 177.020 176.870 0.147 0.000 1.136 429 L CA -0.794 54.143 54.840 0.161 0.000 0.804 429 L CB 0.611 42.750 42.059 0.134 0.000 1.181 429 L HN 0.504 nan 8.230 nan 0.000 0.469 430 E N 1.036 121.361 120.200 0.208 0.000 2.229 430 E HA 0.116 4.466 4.350 0.000 0.000 0.283 430 E C 0.198 176.987 176.600 0.314 0.000 1.030 430 E CA -0.152 56.386 56.400 0.228 0.000 0.836 430 E CB 1.318 31.158 29.700 0.234 0.000 1.068 430 E HN 0.390 nan 8.360 nan 0.000 0.401 431 K N 1.309 121.812 120.400 0.173 0.000 2.365 431 K HA -0.005 4.315 4.320 0.000 0.000 0.199 431 K C 0.280 176.986 176.600 0.177 0.000 1.045 431 K CA 0.738 57.126 56.287 0.169 0.000 0.962 431 K CB 0.429 32.975 32.500 0.077 0.000 0.759 431 K HN 0.332 nan 8.250 nan 0.000 0.469 432 E N 0.183 120.391 120.200 0.013 0.000 2.340 432 E HA 0.313 4.663 4.350 0.000 0.000 0.273 432 E C -2.694 173.458 176.600 -0.747 0.000 0.891 432 E CA -2.645 53.608 56.400 -0.245 0.000 0.757 432 E CB 1.788 31.406 29.700 -0.137 0.000 1.231 432 E HN -0.219 nan 8.360 nan 0.000 0.439 433 P HA -0.007 nan 4.420 nan 0.000 0.271 433 P C -0.331 176.686 177.300 -0.471 0.000 1.212 433 P CA 0.531 62.949 63.100 -1.136 0.000 0.788 433 P CB 0.404 31.776 31.700 -0.546 0.000 0.865 434 I N 0.695 121.117 120.570 -0.247 0.000 2.330 434 I HA 0.177 4.347 4.170 0.000 0.000 0.289 434 I C -0.104 175.976 176.117 -0.062 0.000 1.001 434 I CA -1.088 60.150 61.300 -0.103 0.000 1.193 434 I CB 1.224 39.211 38.000 -0.022 0.000 1.345 434 I HN -0.029 nan 8.210 nan 0.000 0.461 435 V N 5.611 125.491 119.914 -0.057 0.000 2.655 435 V HA 0.238 4.358 4.120 0.000 0.000 0.300 435 V C 1.364 177.448 176.094 -0.016 0.000 1.044 435 V CA 0.815 63.093 62.300 -0.035 0.000 1.095 435 V CB 0.639 32.441 31.823 -0.034 0.000 0.952 435 V HN 1.156 nan 8.190 nan 0.000 0.485 436 G N 3.154 111.949 108.800 -0.009 0.000 2.148 436 G HA2 -0.078 3.882 3.960 0.000 0.000 0.254 436 G HA3 -0.078 3.882 3.960 0.000 0.000 0.254 436 G C 0.239 175.142 174.900 0.006 0.000 0.981 436 G CA 0.218 45.317 45.100 -0.002 0.000 0.670 436 G HN 1.549 nan 8.290 nan 0.000 0.528 437 A N -0.338 122.489 122.820 0.012 0.000 2.324 437 A HA 0.766 5.086 4.320 0.000 0.000 0.330 437 A C 0.233 177.840 177.584 0.038 0.000 1.165 437 A CA -0.008 52.048 52.037 0.031 0.000 0.813 437 A CB 0.904 19.928 19.000 0.041 0.000 1.197 437 A HN 0.495 nan 8.150 nan 0.000 0.484 438 E N 0.655 120.886 120.200 0.052 0.000 2.413 438 E HA 0.238 4.588 4.350 0.000 0.000 0.263 438 E C -0.619 176.020 176.600 0.065 0.000 1.015 438 E CA 0.372 56.782 56.400 0.017 0.000 0.916 438 E CB 0.477 30.186 29.700 0.016 0.000 0.947 438 E HN 0.538 nan 8.360 nan 0.000 0.440 439 T N 4.496 119.041 114.554 -0.014 0.000 2.779 439 T HA 0.362 4.712 4.350 0.000 0.000 0.280 439 T C -1.032 173.661 174.700 -0.011 0.000 0.987 439 T CA -0.389 61.750 62.100 0.065 0.000 0.966 439 T CB 0.136 69.073 68.868 0.114 0.000 0.933 439 T HN 0.225 nan 8.240 nan 0.000 0.442 440 F N 2.331 122.261 119.950 -0.033 0.000 2.436 440 F HA 0.430 4.957 4.527 0.000 0.000 0.340 440 F C -0.240 175.556 175.800 -0.006 0.000 1.113 440 F CA -1.037 56.946 58.000 -0.028 0.000 1.022 440 F CB 1.097 39.980 39.000 -0.194 0.000 1.128 440 F HN 0.523 nan 8.300 nan 0.000 0.466 441 Y N 3.535 123.922 120.300 0.144 0.000 2.931 441 Y HA 0.376 4.926 4.550 -0.000 0.000 0.330 441 Y C 0.281 176.286 175.900 0.174 0.000 1.115 441 Y CA -1.115 57.052 58.100 0.112 0.000 1.283 441 Y CB 0.112 38.603 38.460 0.052 0.000 1.215 441 Y HN 0.356 nan 8.280 nan 0.000 0.534 442 V N -0.366 119.695 119.914 0.245 0.000 3.264 442 V HA 0.678 4.798 4.120 0.000 0.000 0.304 442 V C -0.107 176.078 176.094 0.152 0.000 1.086 442 V CA -0.510 61.936 62.300 0.243 0.000 1.090 442 V CB 1.623 33.554 31.823 0.181 0.000 1.112 442 V HN 0.675 nan 8.190 nan 0.000 0.472 443 D N -0.623 119.855 120.400 0.130 0.000 3.138 443 D HA 0.450 5.090 4.640 0.000 0.000 0.293 443 D C -0.522 175.818 176.300 0.067 0.000 1.109 443 D CA 0.117 54.165 54.000 0.080 0.000 0.720 443 D CB 0.797 41.632 40.800 0.058 0.000 1.336 443 D HN 1.498 nan 8.370 nan 0.000 0.462 444 G N -1.066 107.761 108.800 0.045 0.000 2.489 444 G HA2 0.946 4.906 3.960 0.000 0.000 0.305 444 G HA3 0.946 4.906 3.960 0.000 0.000 0.305 444 G C -1.807 173.109 174.900 0.027 0.000 1.311 444 G CA 0.262 45.385 45.100 0.038 0.000 0.813 444 G HN 1.471 nan 8.290 nan 0.000 0.480 445 A N -2.026 120.811 122.820 0.028 0.000 2.522 445 A HA 0.982 5.302 4.320 0.000 0.000 0.294 445 A C -0.661 176.939 177.584 0.025 0.000 1.001 445 A CA 0.548 52.600 52.037 0.026 0.000 0.642 445 A CB 0.610 19.626 19.000 0.026 0.000 1.326 445 A HN 2.584 nan 8.150 nan 0.000 0.435 446 A N 0.543 123.376 122.820 0.023 0.000 2.530 446 A HA 0.848 5.168 4.320 0.000 0.000 0.288 446 A C -0.758 176.838 177.584 0.019 0.000 1.172 446 A CA -0.604 51.444 52.037 0.019 0.000 0.733 446 A CB 1.209 20.218 19.000 0.015 0.000 1.320 446 A HN 0.967 nan 8.150 nan 0.000 0.419 447 N N 0.066 118.776 118.700 0.016 0.000 2.422 447 N HA 0.154 4.894 4.740 0.000 0.000 0.266 447 N C 0.614 176.130 175.510 0.011 0.000 1.007 447 N CA -0.363 52.696 53.050 0.015 0.000 0.941 447 N CB 0.966 39.461 38.487 0.013 0.000 1.115 447 N HN 0.634 nan 8.380 nan 0.000 0.492 448 R N 1.627 122.134 120.500 0.011 0.000 2.200 448 R HA -0.114 4.226 4.340 0.000 0.000 0.234 448 R C 0.815 177.118 176.300 0.005 0.000 1.127 448 R CA 1.053 57.157 56.100 0.006 0.000 0.989 448 R CB 0.308 30.611 30.300 0.006 0.000 0.869 448 R HN 0.616 nan 8.270 nan 0.000 0.459 449 E N -0.296 119.908 120.200 0.006 0.000 2.052 449 E HA -0.062 4.288 4.350 0.000 0.000 0.192 449 E C 2.170 178.773 176.600 0.005 0.000 0.958 449 E CA 1.692 58.095 56.400 0.005 0.000 0.835 449 E CB -0.686 29.018 29.700 0.006 0.000 0.811 449 E HN 0.285 nan 8.360 nan 0.000 0.462 450 T N 0.092 114.650 114.554 0.006 0.000 2.897 450 T HA -0.138 4.212 4.350 0.000 0.000 0.271 450 T C 0.757 175.460 174.700 0.006 0.000 1.084 450 T CA 1.228 63.331 62.100 0.006 0.000 1.123 450 T CB -0.071 68.801 68.868 0.007 0.000 0.865 450 T HN 0.017 nan 8.240 nan 0.000 0.496 451 K N 0.313 120.716 120.400 0.006 0.000 3.281 451 K HA -0.106 4.214 4.320 0.000 0.000 0.295 451 K C -0.378 176.226 176.600 0.007 0.000 1.233 451 K CA 0.498 56.788 56.287 0.006 0.000 0.866 451 K CB -2.513 29.989 32.500 0.004 0.000 1.265 451 K HN 0.558 nan 8.250 nan 0.000 0.482 452 L N 0.020 121.248 121.223 0.008 0.000 2.346 452 L HA 0.733 5.073 4.340 0.000 0.000 0.276 452 L C 0.858 177.735 176.870 0.012 0.000 1.006 452 L CA -0.601 54.245 54.840 0.009 0.000 0.817 452 L CB 2.203 44.267 42.059 0.008 0.000 1.272 452 L HN 0.187 nan 8.230 nan 0.000 0.421 453 G N 1.803 110.611 108.800 0.013 0.000 2.725 453 G HA2 0.649 4.609 3.960 0.000 0.000 0.288 453 G HA3 0.649 4.609 3.960 0.000 0.000 0.288 453 G C -1.693 173.216 174.900 0.015 0.000 1.399 453 G CA -0.567 44.542 45.100 0.016 0.000 0.859 453 G HN 0.420 nan 8.290 nan 0.000 0.479 454 K N -0.541 119.868 120.400 0.016 0.000 2.378 454 K HA 0.703 5.023 4.320 0.000 0.000 0.252 454 K C -0.988 175.622 176.600 0.016 0.000 0.931 454 K CA -0.697 55.597 56.287 0.011 0.000 0.794 454 K CB 2.609 35.113 32.500 0.006 0.000 1.181 454 K HN 0.666 nan 8.250 nan 0.000 0.425 455 A N 1.768 124.594 122.820 0.011 0.000 2.357 455 A HA 0.796 5.116 4.320 0.000 0.000 0.295 455 A C -0.487 177.090 177.584 -0.013 0.000 1.121 455 A CA -0.412 51.638 52.037 0.021 0.000 0.742 455 A CB 1.358 20.384 19.000 0.044 0.000 1.181 455 A HN 0.815 nan 8.150 nan 0.000 0.454 456 G N 0.495 109.289 108.800 -0.010 0.000 2.846 456 G HA2 0.790 4.750 3.960 0.000 0.000 0.299 456 G HA3 0.790 4.750 3.960 0.000 0.000 0.299 456 G C -1.211 173.713 174.900 0.041 0.000 1.242 456 G CA 0.052 45.086 45.100 -0.110 0.000 0.800 456 G HN 1.784 nan 8.290 nan 0.000 0.538 457 Y N -2.949 117.427 120.300 0.128 0.000 2.713 457 Y HA 0.736 5.286 4.550 0.000 0.000 0.335 457 Y C -1.506 174.485 175.900 0.153 0.000 1.222 457 Y CA -1.973 56.240 58.100 0.189 0.000 1.061 457 Y CB 1.138 39.800 38.460 0.336 0.000 1.314 457 Y HN 0.632 nan 8.280 nan 0.000 0.453 458 V N 1.928 122.142 119.914 0.499 0.000 2.488 458 V HA 0.438 4.558 4.120 0.000 0.000 0.293 458 V C -0.040 176.114 176.094 0.100 0.000 1.027 458 V CA -0.329 62.129 62.300 0.263 0.000 0.862 458 V CB 1.307 33.193 31.823 0.105 0.000 1.008 458 V HN 1.067 nan 8.190 nan 0.000 0.428 459 T N 2.760 117.246 114.554 -0.113 0.000 2.828 459 T HA 0.122 4.472 4.350 0.000 0.000 0.290 459 T C 1.552 176.125 174.700 -0.212 0.000 1.019 459 T CA 0.206 62.054 62.100 -0.421 0.000 1.031 459 T CB 0.637 69.022 68.868 -0.806 0.000 1.001 459 T HN 0.871 nan 8.240 nan 0.000 0.531 460 N N 2.413 121.003 118.700 -0.182 0.000 2.270 460 N HA -0.081 4.659 4.740 0.000 0.000 0.181 460 N C 0.968 176.409 175.510 -0.115 0.000 1.016 460 N CA 0.867 53.848 53.050 -0.115 0.000 0.870 460 N CB -0.118 38.343 38.487 -0.045 0.000 0.979 460 N HN 0.581 nan 8.380 nan 0.000 0.431 461 K N 0.401 120.716 120.400 -0.142 0.000 2.630 461 K HA 0.101 4.421 4.320 0.000 0.000 0.204 461 K C 0.713 177.263 176.600 -0.084 0.000 1.024 461 K CA 0.381 56.607 56.287 -0.103 0.000 1.157 461 K CB -0.274 32.163 32.500 -0.105 0.000 0.899 461 K HN 0.456 nan 8.250 nan 0.000 0.501 462 G N 2.042 110.791 108.800 -0.086 0.000 2.212 462 G HA2 -0.371 3.589 3.960 0.000 0.000 0.266 462 G HA3 -0.371 3.589 3.960 0.000 0.000 0.266 462 G C 0.227 175.112 174.900 -0.024 0.000 0.978 462 G CA 0.428 45.496 45.100 -0.053 0.000 0.632 462 G HN 0.464 nan 8.290 nan 0.000 0.537 463 R N 1.142 121.624 120.500 -0.029 0.000 2.490 463 R HA 0.551 4.891 4.340 0.000 0.000 0.280 463 R C 0.356 176.751 176.300 0.157 0.000 1.077 463 R CA 0.315 56.446 56.100 0.052 0.000 1.065 463 R CB 0.307 30.639 30.300 0.054 0.000 1.003 463 R HN 0.601 nan 8.270 nan 0.000 0.470 464 Q N 2.799 122.722 119.800 0.205 0.000 2.435 464 Q HA 0.397 4.737 4.340 0.000 0.000 0.282 464 Q C -1.841 174.152 176.000 -0.011 0.000 1.020 464 Q CA -1.170 54.756 55.803 0.205 0.000 0.820 464 Q CB 2.169 30.962 28.738 0.093 0.000 1.436 464 Q HN 0.557 nan 8.270 nan 0.000 0.395 465 K N 0.877 121.047 120.400 -0.383 0.000 2.512 465 K HA 0.726 5.046 4.320 0.000 0.000 0.263 465 K C -1.929 174.454 176.600 -0.363 0.000 0.966 465 K CA -0.825 55.208 56.287 -0.424 0.000 0.851 465 K CB 2.748 34.872 32.500 -0.627 0.000 1.395 465 K HN 0.489 nan 8.250 nan 0.000 0.440 466 V N 2.691 122.480 119.914 -0.207 0.000 2.610 466 V HA 0.224 4.344 4.120 0.000 0.000 0.288 466 V C -1.056 174.989 176.094 -0.082 0.000 1.055 466 V CA -0.866 61.358 62.300 -0.127 0.000 0.902 466 V CB 1.811 33.589 31.823 -0.074 0.000 1.030 466 V HN 0.529 nan 8.190 nan 0.000 0.448 467 V N 6.840 126.715 119.914 -0.066 0.000 2.532 467 V HA 0.514 4.634 4.120 0.000 0.000 0.295 467 V C -2.289 173.798 176.094 -0.012 0.000 1.041 467 V CA -2.150 60.131 62.300 -0.031 0.000 0.926 467 V CB 2.009 33.822 31.823 -0.016 0.000 0.992 467 V HN 0.666 nan 8.190 nan 0.000 0.457 468 P HA 0.460 nan 4.420 nan 0.000 0.279 468 P C -1.046 176.259 177.300 0.007 0.000 1.239 468 P CA -0.197 62.904 63.100 0.001 0.000 0.789 468 P CB 0.632 32.333 31.700 0.000 0.000 0.933 469 L N 2.164 123.393 121.223 0.010 0.000 2.408 469 L HA 0.554 4.894 4.340 0.000 0.000 0.268 469 L C 0.011 176.888 176.870 0.011 0.000 0.986 469 L CA -0.564 54.283 54.840 0.013 0.000 0.820 469 L CB 2.513 44.583 42.059 0.017 0.000 1.303 469 L HN 0.378 nan 8.230 nan 0.000 0.411 470 T N -1.619 112.940 114.554 0.010 0.000 2.856 470 T HA 0.416 4.766 4.350 0.000 0.000 0.283 470 T C -0.003 174.701 174.700 0.007 0.000 1.008 470 T CA -0.765 61.340 62.100 0.008 0.000 0.997 470 T CB 1.607 70.479 68.868 0.006 0.000 0.992 470 T HN 0.585 nan 8.240 nan 0.000 0.454 471 N N 0.389 119.093 118.700 0.007 0.000 2.671 471 N HA -0.151 4.589 4.740 0.000 0.000 0.261 471 N C -0.607 174.907 175.510 0.008 0.000 1.053 471 N CA 1.181 54.234 53.050 0.006 0.000 0.732 471 N CB -1.053 37.437 38.487 0.004 0.000 0.887 471 N HN 0.939 nan 8.380 nan 0.000 0.546 472 T N -0.711 113.848 114.554 0.009 0.000 2.909 472 T HA 0.559 4.909 4.350 0.000 0.000 0.299 472 T C 0.008 174.714 174.700 0.010 0.000 1.073 472 T CA -0.214 61.894 62.100 0.012 0.000 0.999 472 T CB 1.479 70.356 68.868 0.017 0.000 1.098 472 T HN 0.261 nan 8.240 nan 0.000 0.477 473 T N 1.264 115.823 114.554 0.009 0.000 2.927 473 T HA 0.371 4.721 4.350 0.000 0.000 0.281 473 T C 1.082 175.782 174.700 0.000 0.000 0.998 473 T CA -0.787 61.311 62.100 -0.003 0.000 1.019 473 T CB 0.754 69.611 68.868 -0.019 0.000 1.061 473 T HN 0.650 nan 8.240 nan 0.000 0.518 474 N N -0.331 118.361 118.700 -0.013 0.000 2.609 474 N HA -0.065 4.675 4.740 0.000 0.000 0.190 474 N C 1.555 177.064 175.510 -0.000 0.000 1.157 474 N CA 0.225 53.274 53.050 -0.002 0.000 0.918 474 N CB 0.022 38.506 38.487 -0.006 0.000 0.978 474 N HN 0.561 nan 8.380 nan 0.000 0.448 475 Q N -0.920 118.864 119.800 -0.027 0.000 2.402 475 Q HA 0.022 4.362 4.340 0.000 0.000 0.231 475 Q C 1.502 177.595 176.000 0.154 0.000 0.888 475 Q CA 0.270 56.072 55.803 -0.001 0.000 0.938 475 Q CB 0.432 28.948 28.738 -0.371 0.000 1.086 475 Q HN 0.048 nan 8.270 nan 0.000 0.543 476 K N 0.903 121.352 120.400 0.083 0.000 2.062 476 K HA -0.098 4.222 4.320 0.000 0.000 0.205 476 K C 2.148 178.794 176.600 0.077 0.000 1.051 476 K CA 1.966 58.304 56.287 0.085 0.000 0.941 476 K CB -0.310 32.218 32.500 0.048 0.000 0.719 476 K HN 0.272 nan 8.250 nan 0.000 0.440 477 T N -0.944 113.648 114.554 0.064 0.000 2.674 477 T HA -0.109 4.241 4.350 0.000 0.000 0.265 477 T C 1.649 176.398 174.700 0.081 0.000 1.039 477 T CA 1.026 63.163 62.100 0.062 0.000 1.150 477 T CB -0.445 68.451 68.868 0.046 0.000 0.864 477 T HN 0.083 nan 8.240 nan 0.000 0.427 478 E N 1.214 121.474 120.200 0.100 0.000 2.273 478 E HA -0.019 4.331 4.350 0.000 0.000 0.198 478 E C 2.059 178.725 176.600 0.108 0.000 1.002 478 E CA 0.744 57.214 56.400 0.115 0.000 0.828 478 E CB -0.318 29.479 29.700 0.163 0.000 0.747 478 E HN 0.606 nan 8.360 nan 0.000 0.491 479 L N 0.028 121.316 121.223 0.108 0.000 2.477 479 L HA -0.005 4.335 4.340 0.000 0.000 0.220 479 L C 2.267 179.187 176.870 0.084 0.000 1.106 479 L CA 0.230 55.111 54.840 0.068 0.000 0.851 479 L CB -0.024 42.060 42.059 0.042 0.000 0.994 479 L HN -0.055 nan 8.230 nan 0.000 0.462 480 Q N 0.026 119.882 119.800 0.093 0.000 2.245 480 Q HA -0.006 4.334 4.340 0.000 0.000 0.201 480 Q C 2.294 178.384 176.000 0.150 0.000 0.955 480 Q CA 1.228 57.106 55.803 0.125 0.000 0.870 480 Q CB 0.155 28.945 28.738 0.087 0.000 0.945 480 Q HN 0.494 nan 8.270 nan 0.000 0.461 481 A N 1.184 124.074 122.820 0.116 0.000 1.840 481 A HA -0.114 4.206 4.320 0.000 0.000 0.214 481 A C 2.095 179.752 177.584 0.122 0.000 1.198 481 A CA 0.892 53.002 52.037 0.121 0.000 0.608 481 A CB -0.679 18.387 19.000 0.110 0.000 0.839 481 A HN 0.275 nan 8.150 nan 0.000 0.443 482 I N -1.679 118.946 120.570 0.092 0.000 2.264 482 I HA -0.289 3.881 4.170 0.000 0.000 0.248 482 I C 2.498 178.646 176.117 0.052 0.000 1.111 482 I CA 1.820 63.148 61.300 0.047 0.000 1.382 482 I CB -0.478 37.538 38.000 0.026 0.000 1.060 482 I HN 0.523 nan 8.210 nan 0.000 0.418 483 Y N 1.772 122.052 120.300 -0.033 0.000 2.114 483 Y HA -0.234 4.316 4.550 0.000 0.000 0.284 483 Y C 2.387 178.264 175.900 -0.038 0.000 1.143 483 Y CA 1.467 59.540 58.100 -0.046 0.000 1.135 483 Y CB -0.534 37.909 38.460 -0.029 0.000 0.980 483 Y HN -0.019 nan 8.280 nan 0.000 0.499 484 L N -0.373 120.833 121.223 -0.028 0.000 1.978 484 L HA -0.371 3.969 4.340 0.000 0.000 0.218 484 L C 2.762 179.574 176.870 -0.096 0.000 1.075 484 L CA 1.619 56.430 54.840 -0.049 0.000 0.767 484 L CB -1.249 40.881 42.059 0.118 0.000 0.890 484 L HN 0.381 nan 8.230 nan 0.000 0.434 485 A N 0.208 122.959 122.820 -0.116 0.000 1.884 485 A HA -0.256 4.064 4.320 0.000 0.000 0.219 485 A C 2.176 179.354 177.584 -0.676 0.000 1.197 485 A CA 2.095 53.754 52.037 -0.631 0.000 0.637 485 A CB -1.005 17.711 19.000 -0.473 0.000 0.827 485 A HN 0.440 nan 8.150 nan 0.000 0.450 486 L N -1.036 119.942 121.223 -0.409 0.000 2.127 486 L HA -0.262 4.078 4.340 0.000 0.000 0.211 486 L C 2.839 179.505 176.870 -0.339 0.000 1.089 486 L CA 1.588 56.226 54.840 -0.337 0.000 0.757 486 L CB -0.676 41.246 42.059 -0.228 0.000 0.899 486 L HN 0.542 nan 8.230 nan 0.000 0.434 487 Q N -0.205 119.356 119.800 -0.398 0.000 2.137 487 Q HA -0.127 4.213 4.340 0.000 0.000 0.198 487 Q C 0.593 176.473 176.000 -0.198 0.000 0.960 487 Q CA 1.053 56.661 55.803 -0.325 0.000 0.847 487 Q CB 0.060 28.555 28.738 -0.406 0.000 0.915 487 Q HN 0.431 nan 8.270 nan 0.000 0.448 488 D N 0.198 120.478 120.400 -0.200 0.000 2.460 488 D HA 0.160 4.800 4.640 0.000 0.000 0.229 488 D C -0.590 175.634 176.300 -0.126 0.000 1.170 488 D CA 0.181 54.136 54.000 -0.075 0.000 0.827 488 D CB 0.483 41.371 40.800 0.148 0.000 0.973 488 D HN -0.093 nan 8.370 nan 0.000 0.496 489 S N -0.969 114.603 115.700 -0.213 0.000 2.638 489 S HA 0.723 5.193 4.470 0.000 0.000 0.302 489 S C 0.793 175.366 174.600 -0.045 0.000 1.096 489 S CA -0.841 57.282 58.200 -0.128 0.000 0.953 489 S CB 2.074 65.098 63.200 -0.294 0.000 1.107 489 S HN 0.216 nan 8.310 nan 0.000 0.503 490 G N 0.190 108.998 108.800 0.013 0.000 2.514 490 G HA2 0.332 4.292 3.960 0.000 0.000 0.245 490 G HA3 0.332 4.292 3.960 0.000 0.000 0.245 490 G C 0.465 175.362 174.900 -0.006 0.000 1.488 490 G CA -0.361 44.746 45.100 0.010 0.000 1.063 490 G HN 0.603 nan 8.290 nan 0.000 0.557 491 L N -0.279 120.947 121.223 0.005 0.000 2.558 491 L HA 0.269 4.609 4.340 0.000 0.000 0.225 491 L C 0.495 177.374 176.870 0.014 0.000 1.128 491 L CA 0.566 55.409 54.840 0.005 0.000 0.868 491 L CB -0.088 41.977 42.059 0.011 0.000 1.006 491 L HN 0.389 nan 8.230 nan 0.000 0.454 492 E N -0.235 119.978 120.200 0.021 0.000 2.275 492 E HA 0.588 4.938 4.350 0.000 0.000 0.270 492 E C -1.344 175.283 176.600 0.046 0.000 0.882 492 E CA -0.404 56.017 56.400 0.034 0.000 0.758 492 E CB 3.071 32.791 29.700 0.034 0.000 1.195 492 E HN -0.209 nan 8.360 nan 0.000 0.419 493 V N 1.864 121.811 119.914 0.055 0.000 3.114 493 V HA 0.462 4.582 4.120 0.000 0.000 0.308 493 V C -0.815 175.350 176.094 0.117 0.000 1.168 493 V CA -1.152 61.195 62.300 0.079 0.000 1.015 493 V CB 2.447 34.273 31.823 0.005 0.000 1.050 493 V HN 0.604 nan 8.190 nan 0.000 0.433 494 N N 2.315 121.105 118.700 0.151 0.000 2.491 494 N HA 0.652 5.392 4.740 0.000 0.000 0.274 494 N C -1.289 174.293 175.510 0.119 0.000 1.023 494 N CA -0.192 52.964 53.050 0.177 0.000 0.902 494 N CB 2.210 40.797 38.487 0.167 0.000 1.267 494 N HN 0.602 nan 8.380 nan 0.000 0.503 495 I N 1.241 121.838 120.570 0.045 0.000 2.441 495 I HA 0.434 4.604 4.170 0.000 0.000 0.295 495 I C -0.256 175.797 176.117 -0.108 0.000 0.994 495 I CA -1.035 60.255 61.300 -0.017 0.000 1.144 495 I CB 2.200 40.177 38.000 -0.038 0.000 1.314 495 I HN -0.040 nan 8.210 nan 0.000 0.445 496 V N 4.477 124.281 119.914 -0.183 0.000 2.376 496 V HA 0.351 4.471 4.120 0.000 0.000 0.287 496 V C -0.049 175.957 176.094 -0.147 0.000 1.015 496 V CA -0.354 61.791 62.300 -0.259 0.000 0.834 496 V CB 1.756 33.219 31.823 -0.599 0.000 1.001 496 V HN 0.816 nan 8.190 nan 0.000 0.428 497 T N 1.741 116.251 114.554 -0.073 0.000 2.918 497 T HA 0.336 4.686 4.350 0.000 0.000 0.286 497 T C 0.712 175.393 174.700 -0.032 0.000 1.026 497 T CA -0.362 61.733 62.100 -0.007 0.000 1.031 497 T CB 1.530 70.429 68.868 0.052 0.000 1.046 497 T HN 0.832 nan 8.240 nan 0.000 0.479 498 D N 1.260 121.652 120.400 -0.014 0.000 2.354 498 D HA 0.045 4.685 4.640 0.000 0.000 0.209 498 D C 0.790 177.188 176.300 0.164 0.000 1.015 498 D CA 0.009 53.970 54.000 -0.066 0.000 0.867 498 D CB -0.084 40.661 40.800 -0.091 0.000 0.933 498 D HN 0.350 nan 8.370 nan 0.000 0.520 499 S N 0.178 116.015 115.700 0.228 0.000 2.404 499 S HA 0.158 4.628 4.470 0.000 0.000 0.309 499 S C 0.959 175.740 174.600 0.301 0.000 1.076 499 S CA -0.626 57.741 58.200 0.279 0.000 1.095 499 S CB 1.384 64.714 63.200 0.217 0.000 0.972 499 S HN 0.062 nan 8.310 nan 0.000 0.484 500 Q N 2.734 122.683 119.800 0.248 0.000 2.135 500 Q HA -0.179 4.161 4.340 0.000 0.000 0.204 500 Q C 1.279 177.286 176.000 0.012 0.000 0.981 500 Q CA 1.919 57.681 55.803 -0.068 0.000 0.856 500 Q CB -0.444 28.134 28.738 -0.266 0.000 0.902 500 Q HN 0.986 nan 8.270 nan 0.000 0.425 501 Y N 1.399 121.694 120.300 -0.008 0.000 2.014 501 Y HA -0.333 4.217 4.550 0.000 0.000 0.270 501 Y C 2.336 178.239 175.900 0.004 0.000 1.145 501 Y CA 1.782 59.882 58.100 0.000 0.000 1.106 501 Y CB -0.811 37.663 38.460 0.023 0.000 0.968 501 Y HN 0.058 nan 8.280 nan 0.000 0.484 502 A N 0.514 123.222 122.820 -0.186 0.000 1.908 502 A HA -0.192 4.128 4.320 0.000 0.000 0.218 502 A C 2.238 179.719 177.584 -0.171 0.000 1.181 502 A CA 1.826 53.695 52.037 -0.280 0.000 0.627 502 A CB -1.380 17.592 19.000 -0.046 0.000 0.818 502 A HN 0.626 nan 8.150 nan 0.000 0.445 503 L N 0.316 121.504 121.223 -0.060 0.000 1.971 503 L HA -0.107 4.233 4.340 0.000 0.000 0.215 503 L C 2.387 179.210 176.870 -0.078 0.000 1.072 503 L CA 2.721 57.536 54.840 -0.042 0.000 0.758 503 L CB -1.405 40.654 42.059 0.001 0.000 0.889 503 L HN 0.291 nan 8.230 nan 0.000 0.433 504 G N -0.457 108.280 108.800 -0.105 0.000 2.422 504 G HA2 -0.243 3.717 3.960 0.000 0.000 0.218 504 G HA3 -0.243 3.717 3.960 0.000 0.000 0.218 504 G C 1.687 176.547 174.900 -0.066 0.000 1.146 504 G CA 1.081 46.133 45.100 -0.079 0.000 0.769 504 G HN 0.515 nan 8.290 nan 0.000 0.547 505 I N 0.563 121.024 120.570 -0.182 0.000 2.286 505 I HA -0.135 4.035 4.170 0.000 0.000 0.248 505 I C 2.538 178.603 176.117 -0.087 0.000 1.115 505 I CA 0.896 62.074 61.300 -0.202 0.000 1.392 505 I CB -0.128 37.583 38.000 -0.482 0.000 1.065 505 I HN 0.188 nan 8.210 nan 0.000 0.418 506 I N -0.030 120.501 120.570 -0.065 0.000 2.406 506 I HA -0.206 3.964 4.170 0.000 0.000 0.249 506 I C 2.358 178.554 176.117 0.131 0.000 1.122 506 I CA 0.900 62.228 61.300 0.047 0.000 1.431 506 I CB -0.476 37.536 38.000 0.020 0.000 1.087 506 I HN 0.287 nan 8.210 nan 0.000 0.424 507 Q N 1.106 120.951 119.800 0.076 0.000 2.226 507 Q HA -0.119 4.221 4.340 0.000 0.000 0.204 507 Q C 2.249 178.329 176.000 0.132 0.000 0.975 507 Q CA 1.482 57.340 55.803 0.091 0.000 0.866 507 Q CB -0.175 28.595 28.738 0.052 0.000 0.915 507 Q HN 0.543 nan 8.270 nan 0.000 0.440 508 A N 0.634 123.548 122.820 0.157 0.000 2.206 508 A HA -0.081 4.239 4.320 0.000 0.000 0.211 508 A C 0.318 178.008 177.584 0.177 0.000 1.158 508 A CA 0.024 52.194 52.037 0.222 0.000 0.761 508 A CB -0.069 19.077 19.000 0.244 0.000 0.801 508 A HN 0.378 nan 8.150 nan 0.000 0.473 509 Q N -0.787 119.100 119.800 0.145 0.000 2.439 509 Q HA -0.152 4.188 4.340 0.000 0.000 0.361 509 Q C -2.081 174.012 176.000 0.154 0.000 1.408 509 Q CA 0.426 56.284 55.803 0.092 0.000 1.052 509 Q CB -1.408 27.181 28.738 -0.247 0.000 1.233 509 Q HN 0.623 nan 8.270 nan 0.000 0.347 510 P HA 0.236 nan 4.420 nan 0.000 0.323 510 P C -0.360 177.082 177.300 0.237 0.000 1.319 510 P CA 0.279 63.501 63.100 0.204 0.000 0.741 510 P CB 0.664 32.482 31.700 0.197 0.000 1.545 511 D N -2.549 117.968 120.400 0.195 0.000 2.787 511 D HA 0.086 4.726 4.640 0.000 0.000 0.215 511 D C -0.837 175.525 176.300 0.102 0.000 1.246 511 D CA -0.451 53.647 54.000 0.163 0.000 0.798 511 D CB 0.601 41.532 40.800 0.218 0.000 1.649 511 D HN 0.140 nan 8.370 nan 0.000 0.507 512 K N 1.894 122.319 120.400 0.042 0.000 3.772 512 K HA -0.128 4.192 4.320 0.000 0.000 0.274 512 K C 0.141 176.765 176.600 0.041 0.000 0.815 512 K CA 0.612 56.907 56.287 0.013 0.000 0.642 512 K CB -1.637 30.852 32.500 -0.017 0.000 1.709 512 K HN 0.378 nan 8.250 nan 0.000 0.438 513 S N 0.522 116.267 115.700 0.075 0.000 2.881 513 S HA -0.029 4.441 4.470 0.000 0.000 0.228 513 S C 0.477 175.107 174.600 0.051 0.000 0.965 513 S CA 0.088 58.342 58.200 0.091 0.000 0.998 513 S CB -0.215 63.104 63.200 0.199 0.000 0.795 513 S HN 0.399 nan 8.310 nan 0.000 0.518 514 E N 0.924 121.138 120.200 0.023 0.000 2.162 514 E HA -0.208 4.142 4.350 0.000 0.000 0.209 514 E C -0.086 176.520 176.600 0.010 0.000 1.328 514 E CA 0.409 56.811 56.400 0.004 0.000 0.712 514 E CB -1.090 28.608 29.700 -0.004 0.000 1.107 514 E HN 0.333 nan 8.360 nan 0.000 0.347 515 S N -0.181 115.533 115.700 0.023 0.000 2.272 515 S HA 0.124 4.594 4.470 0.000 0.000 0.207 515 S C 0.806 175.402 174.600 -0.007 0.000 1.336 515 S CA 0.047 58.267 58.200 0.033 0.000 1.259 515 S CB 0.475 63.739 63.200 0.106 0.000 1.130 515 S HN 0.426 nan 8.310 nan 0.000 0.444 516 E N 0.827 121.007 120.200 -0.033 0.000 2.661 516 E HA -0.341 4.009 4.350 0.000 0.000 0.250 516 E C 1.369 177.890 176.600 -0.132 0.000 1.059 516 E CA 2.411 58.768 56.400 -0.072 0.000 1.381 516 E CB -0.638 29.022 29.700 -0.067 0.000 1.255 516 E HN 0.784 nan 8.360 nan 0.000 0.469 517 L N 0.029 121.169 121.223 -0.138 0.000 1.961 517 L HA -0.177 4.163 4.340 0.000 0.000 0.210 517 L C 2.535 179.283 176.870 -0.203 0.000 1.072 517 L CA 1.866 56.567 54.840 -0.231 0.000 0.749 517 L CB -0.318 41.653 42.059 -0.147 0.000 0.889 517 L HN 0.166 nan 8.230 nan 0.000 0.432 518 V N 0.717 120.572 119.914 -0.098 0.000 2.688 518 V HA -0.269 3.851 4.120 0.000 0.000 0.256 518 V C 2.032 178.084 176.094 -0.070 0.000 1.084 518 V CA 1.850 64.100 62.300 -0.083 0.000 1.103 518 V CB -1.114 30.689 31.823 -0.033 0.000 0.688 518 V HN 0.531 nan 8.190 nan 0.000 0.480 519 N N -0.525 118.132 118.700 -0.071 0.000 2.416 519 N HA -0.053 4.687 4.740 0.000 0.000 0.177 519 N C 1.889 177.343 175.510 -0.093 0.000 1.036 519 N CA 0.695 53.707 53.050 -0.064 0.000 0.901 519 N CB -0.072 38.383 38.487 -0.052 0.000 0.976 519 N HN 0.562 nan 8.380 nan 0.000 0.444 520 Q N 0.112 119.821 119.800 -0.153 0.000 2.096 520 Q HA 0.128 4.468 4.340 0.000 0.000 0.197 520 Q C 1.891 177.877 176.000 -0.024 0.000 0.964 520 Q CA 0.662 56.370 55.803 -0.158 0.000 0.838 520 Q CB 0.134 28.584 28.738 -0.481 0.000 0.906 520 Q HN 0.333 nan 8.270 nan 0.000 0.444 521 I N 0.644 121.164 120.570 -0.082 0.000 2.163 521 I HA -0.323 3.847 4.170 0.000 0.000 0.243 521 I C 2.155 178.228 176.117 -0.072 0.000 1.085 521 I CA 1.223 62.547 61.300 0.040 0.000 1.347 521 I CB -0.263 37.722 38.000 -0.025 0.000 1.044 521 I HN 0.244 nan 8.210 nan 0.000 0.408 522 I N 0.499 121.000 120.570 -0.115 0.000 2.163 522 I HA -0.296 3.874 4.170 0.000 0.000 0.243 522 I C 2.502 178.515 176.117 -0.173 0.000 1.085 522 I CA 1.366 62.559 61.300 -0.179 0.000 1.347 522 I CB -0.516 37.446 38.000 -0.063 0.000 1.044 522 I HN 0.262 nan 8.210 nan 0.000 0.408 523 E N 0.461 120.601 120.200 -0.100 0.000 2.209 523 E HA -0.235 4.115 4.350 0.000 0.000 0.196 523 E C 2.115 178.674 176.600 -0.069 0.000 0.993 523 E CA 0.983 57.332 56.400 -0.085 0.000 0.819 523 E CB -0.271 29.396 29.700 -0.054 0.000 0.745 523 E HN 0.553 nan 8.360 nan 0.000 0.477 524 Q N 0.172 119.940 119.800 -0.053 0.000 2.096 524 Q HA 0.025 4.365 4.340 0.000 0.000 0.197 524 Q C 2.524 178.455 176.000 -0.116 0.000 0.964 524 Q CA 0.520 56.286 55.803 -0.061 0.000 0.838 524 Q CB -0.134 28.588 28.738 -0.028 0.000 0.906 524 Q HN 0.348 nan 8.270 nan 0.000 0.444 525 L N 0.077 121.171 121.223 -0.215 0.000 2.093 525 L HA -0.151 4.189 4.340 0.000 0.000 0.208 525 L C 2.359 179.137 176.870 -0.153 0.000 1.085 525 L CA 0.755 55.419 54.840 -0.293 0.000 0.755 525 L CB -0.421 41.180 42.059 -0.764 0.000 0.904 525 L HN 0.168 nan 8.230 nan 0.000 0.435 526 I N -0.144 120.357 120.570 -0.115 0.000 2.179 526 I HA -0.303 3.867 4.170 0.000 0.000 0.242 526 I C 2.561 178.701 176.117 0.038 0.000 1.088 526 I CA 1.439 62.765 61.300 0.044 0.000 1.357 526 I CB -0.245 37.774 38.000 0.031 0.000 1.051 526 I HN 0.221 nan 8.210 nan 0.000 0.409 527 K N 0.550 120.946 120.400 -0.008 0.000 2.097 527 K HA -0.096 4.224 4.320 0.000 0.000 0.206 527 K C 0.747 177.350 176.600 0.005 0.000 1.049 527 K CA 0.738 57.025 56.287 -0.002 0.000 0.933 527 K CB -0.018 32.469 32.500 -0.021 0.000 0.717 527 K HN 0.121 nan 8.250 nan 0.000 0.442 528 K N 1.236 121.632 120.400 -0.007 0.000 2.286 528 K HA -0.035 4.285 4.320 0.000 0.000 0.256 528 K C 1.024 177.645 176.600 0.035 0.000 0.999 528 K CA 0.638 56.926 56.287 0.003 0.000 0.908 528 K CB 0.504 32.996 32.500 -0.013 0.000 0.981 528 K HN 0.187 nan 8.250 nan 0.000 0.500 529 E N 0.923 121.145 120.200 0.037 0.000 2.201 529 E HA 0.024 4.374 4.350 0.000 0.000 0.193 529 E C -0.317 176.320 176.600 0.062 0.000 0.957 529 E CA 0.688 57.118 56.400 0.050 0.000 0.858 529 E CB 0.427 30.151 29.700 0.038 0.000 0.816 529 E HN 0.311 nan 8.360 nan 0.000 0.475 530 K N 1.113 121.547 120.400 0.057 0.000 2.581 530 K HA 0.425 4.745 4.320 0.000 0.000 0.249 530 K C -1.526 175.122 176.600 0.079 0.000 0.966 530 K CA -0.349 55.982 56.287 0.073 0.000 0.811 530 K CB 3.054 35.589 32.500 0.060 0.000 1.223 530 K HN -0.178 nan 8.250 nan 0.000 0.438 531 V N 2.961 122.938 119.914 0.106 0.000 2.656 531 V HA 0.413 4.533 4.120 0.000 0.000 0.307 531 V C -1.410 174.792 176.094 0.179 0.000 1.051 531 V CA -0.933 61.430 62.300 0.105 0.000 0.893 531 V CB 1.665 33.522 31.823 0.057 0.000 0.999 531 V HN 0.706 nan 8.190 nan 0.000 0.426 532 Y N 4.670 124.985 120.300 0.025 0.000 2.346 532 Y HA 0.705 5.255 4.550 0.000 0.000 0.332 532 Y C -1.076 174.834 175.900 0.017 0.000 0.985 532 Y CA -0.638 57.478 58.100 0.027 0.000 1.112 532 Y CB 1.450 39.922 38.460 0.020 0.000 1.170 532 Y HN 0.581 nan 8.280 nan 0.000 0.447 533 L N 5.215 126.127 121.223 -0.519 0.000 2.334 533 L HA 0.979 5.319 4.340 0.000 0.000 0.270 533 L C -0.809 175.673 176.870 -0.646 0.000 1.018 533 L CA -1.016 53.581 54.840 -0.406 0.000 0.811 533 L CB 1.765 43.709 42.059 -0.193 0.000 1.271 533 L HN 0.852 nan 8.230 nan 0.000 0.443 534 A N 1.879 124.508 122.820 -0.320 0.000 2.577 534 A HA 0.436 4.756 4.320 0.000 0.000 0.297 534 A C -2.282 175.300 177.584 -0.003 0.000 1.060 534 A CA -0.464 51.459 52.037 -0.190 0.000 0.697 534 A CB 1.044 19.945 19.000 -0.166 0.000 1.281 534 A HN 0.728 nan 8.150 nan 0.000 0.402 535 W N 2.349 123.585 121.300 -0.106 0.000 2.627 535 W HA 0.709 5.369 4.660 -0.000 0.000 0.339 535 W C -1.640 174.860 176.519 -0.032 0.000 1.058 535 W CA -0.516 56.791 57.345 -0.064 0.000 1.223 535 W CB 1.700 31.129 29.460 -0.052 0.000 1.389 535 W HN 0.595 nan 8.180 nan 0.000 0.541 536 V N 7.006 126.169 119.914 -1.251 0.000 2.686 536 V HA 0.339 4.459 4.120 0.000 0.000 0.306 536 V C -1.866 173.337 176.094 -1.484 0.000 1.065 536 V CA -2.104 59.481 62.300 -1.192 0.000 0.894 536 V CB 2.210 33.739 31.823 -0.489 0.000 1.004 536 V HN 0.494 nan 8.190 nan 0.000 0.424 537 P HA -0.091 nan 4.420 nan 0.000 0.255 537 P C 0.102 177.243 177.300 -0.265 0.000 1.141 537 P CA 0.555 63.335 63.100 -0.533 0.000 0.767 537 P CB 0.091 31.677 31.700 -0.189 0.000 0.726 538 A N 4.822 127.593 122.820 -0.081 0.000 2.609 538 A HA -0.009 4.311 4.320 0.000 0.000 0.232 538 A C 0.664 178.263 177.584 0.026 0.000 1.041 538 A CA 0.738 52.744 52.037 -0.051 0.000 0.753 538 A CB -0.682 18.344 19.000 0.044 0.000 0.966 538 A HN 0.782 nan 8.150 nan 0.000 0.510 539 H N 0.000 119.062 119.070 -0.013 0.000 2.539 539 H HA 0.000 4.556 4.556 0.000 0.000 0.296 539 H CA 0.000 56.045 56.048 -0.005 0.000 1.023 539 H CB 0.000 29.766 29.762 0.006 0.000 1.292 539 H HN 0.000 nan 8.280 nan 0.000 0.496